REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2wj1_1_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 PQKQ 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 0.000 176.238 176.300 -0.103 0.000 0.893 34 R CA 0.000 55.950 56.100 -0.250 0.000 0.921 34 R CB 0.000 30.058 30.300 -0.403 0.000 0.687 35 Q N 1.132 120.905 119.800 -0.046 0.000 2.061 35 Q HA -0.086 4.253 4.340 -0.001 0.000 0.204 35 Q C 1.826 177.824 176.000 -0.005 0.000 0.984 35 Q CA 1.469 57.270 55.803 -0.004 0.000 0.846 35 Q CB 0.265 28.999 28.738 -0.007 0.000 0.902 35 Q HN -0.067 nan 8.270 nan 0.000 0.421 36 K N 0.035 120.416 120.400 -0.031 0.000 2.057 36 K HA -0.125 4.194 4.320 -0.001 0.000 0.207 36 K C 1.838 178.426 176.600 -0.019 0.000 1.049 36 K CA 1.372 57.643 56.287 -0.027 0.000 0.931 36 K CB -0.380 32.094 32.500 -0.043 0.000 0.714 36 K HN 0.295 nan 8.250 nan 0.000 0.440 37 A N 1.048 123.839 122.820 -0.047 0.000 1.898 37 A HA -0.132 4.187 4.320 -0.001 0.000 0.216 37 A C 2.241 179.919 177.584 0.157 0.000 1.181 37 A CA 1.261 53.298 52.037 0.001 0.000 0.620 37 A CB -0.355 18.532 19.000 -0.188 0.000 0.819 37 A HN 0.292 nan 8.150 nan 0.000 0.442 38 R N -0.905 119.714 120.500 0.200 0.000 2.073 38 R HA -0.110 4.229 4.340 -0.001 0.000 0.234 38 R C 2.423 178.768 176.300 0.075 0.000 1.134 38 R CA 1.224 57.438 56.100 0.190 0.000 0.952 38 R CB -0.678 29.723 30.300 0.168 0.000 0.850 38 R HN 0.534 nan 8.270 nan 0.000 0.433 39 G N 0.604 109.432 108.800 0.047 0.000 2.440 39 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.218 39 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.218 39 G C 1.538 176.442 174.900 0.007 0.000 1.154 39 G CA 0.856 45.968 45.100 0.020 0.000 0.767 39 G HN 0.424 nan 8.290 nan 0.000 0.552 40 A N 1.193 124.016 122.820 0.005 0.000 1.902 40 A HA 0.235 4.555 4.320 -0.001 0.000 0.217 40 A C 2.828 180.380 177.584 -0.054 0.000 1.181 40 A CA 2.359 54.386 52.037 -0.017 0.000 0.623 40 A CB -0.821 18.169 19.000 -0.017 0.000 0.818 40 A HN 0.808 nan 8.150 nan 0.000 0.443 41 A N -1.210 121.585 122.820 -0.040 0.000 1.902 41 A HA -0.072 4.248 4.320 -0.001 0.000 0.217 41 A C 2.306 179.833 177.584 -0.095 0.000 1.181 41 A CA 2.266 54.243 52.037 -0.101 0.000 0.623 41 A CB -1.267 17.697 19.000 -0.059 0.000 0.818 41 A HN 0.423 nan 8.150 nan 0.000 0.443 42 T N -0.340 114.189 114.554 -0.042 0.000 2.684 42 T HA -0.155 4.195 4.350 -0.001 0.000 0.267 42 T C 2.089 176.777 174.700 -0.020 0.000 1.036 42 T CA 1.695 63.780 62.100 -0.025 0.000 1.148 42 T CB -0.233 68.632 68.868 -0.004 0.000 0.863 42 T HN 0.513 nan 8.240 nan 0.000 0.436 43 R N 0.701 121.190 120.500 -0.018 0.000 2.092 43 R HA 0.067 4.407 4.340 -0.001 0.000 0.231 43 R C 2.790 179.092 176.300 0.004 0.000 1.119 43 R CA 1.204 57.304 56.100 0.001 0.000 0.970 43 R CB -0.398 29.905 30.300 0.005 0.000 0.864 43 R HN 0.347 nan 8.270 nan 0.000 0.440 44 A N 1.176 123.959 122.820 -0.062 0.000 1.898 44 A HA -0.145 4.175 4.320 -0.001 0.000 0.216 44 A C 2.068 179.645 177.584 -0.012 0.000 1.181 44 A CA 1.085 53.060 52.037 -0.103 0.000 0.620 44 A CB -0.297 18.399 19.000 -0.507 0.000 0.819 44 A HN 0.200 nan 8.150 nan 0.000 0.442 45 R N -0.944 119.514 120.500 -0.069 0.000 2.081 45 R HA -0.143 4.196 4.340 -0.001 0.000 0.235 45 R C 2.495 178.846 176.300 0.086 0.000 1.131 45 R CA 1.587 57.704 56.100 0.029 0.000 0.960 45 R CB -0.317 29.975 30.300 -0.013 0.000 0.856 45 R HN 0.683 nan 8.270 nan 0.000 0.436 46 Q N 0.724 120.561 119.800 0.061 0.000 2.061 46 Q HA -0.193 4.146 4.340 -0.001 0.000 0.204 46 Q C 1.872 177.936 176.000 0.106 0.000 0.984 46 Q CA 1.726 57.572 55.803 0.072 0.000 0.846 46 Q CB 0.123 28.892 28.738 0.052 0.000 0.902 46 Q HN 0.145 nan 8.270 nan 0.000 0.421 47 K N -0.083 120.395 120.400 0.129 0.000 2.097 47 K HA -0.202 4.118 4.320 -0.001 0.000 0.205 47 K C 2.071 178.792 176.600 0.202 0.000 1.050 47 K CA 1.382 57.766 56.287 0.161 0.000 0.938 47 K CB -0.031 32.578 32.500 0.181 0.000 0.718 47 K HN 0.201 nan 8.250 nan 0.000 0.442 48 Q N 0.619 120.574 119.800 0.258 0.000 2.050 48 Q HA -0.202 4.138 4.340 -0.001 0.000 0.202 48 Q C 2.203 178.310 176.000 0.177 0.000 0.980 48 Q CA 1.469 57.419 55.803 0.244 0.000 0.840 48 Q CB 0.018 28.958 28.738 0.337 0.000 0.898 48 Q HN 0.174 nan 8.270 nan 0.000 0.424 49 R N -0.428 120.164 120.500 0.155 0.000 2.081 49 R HA -0.148 4.191 4.340 -0.001 0.000 0.235 49 R C 2.161 178.543 176.300 0.137 0.000 1.131 49 R CA 1.326 57.504 56.100 0.130 0.000 0.960 49 R CB -0.306 30.055 30.300 0.103 0.000 0.856 49 R HN 0.353 nan 8.270 nan 0.000 0.436 50 A N -0.201 122.698 122.820 0.131 0.000 1.898 50 A HA -0.120 4.200 4.320 -0.001 0.000 0.216 50 A C 2.206 179.882 177.584 0.154 0.000 1.181 50 A CA 1.727 53.840 52.037 0.127 0.000 0.620 50 A CB -0.571 18.496 19.000 0.112 0.000 0.819 50 A HN 0.375 nan 8.150 nan 0.000 0.442 51 S N -0.229 115.581 115.700 0.182 0.000 2.359 51 S HA -0.157 4.313 4.470 -0.001 0.000 0.223 51 S C 1.839 176.554 174.600 0.192 0.000 1.039 51 S CA 1.730 60.069 58.200 0.231 0.000 1.042 51 S CB -0.476 62.868 63.200 0.239 0.000 0.915 51 S HN 0.514 nan 8.310 nan 0.000 0.439 52 L N 0.921 122.260 121.223 0.193 0.000 2.141 52 L HA -0.096 4.244 4.340 -0.001 0.000 0.209 52 L C 2.592 179.619 176.870 0.261 0.000 1.094 52 L CA 1.158 56.161 54.840 0.271 0.000 0.763 52 L CB -0.473 41.754 42.059 0.280 0.000 0.908 52 L HN 0.243 nan 8.230 nan 0.000 0.437 53 E N 0.249 120.559 120.200 0.183 0.000 2.058 53 E HA -0.191 4.158 4.350 -0.001 0.000 0.194 53 E C 2.061 178.666 176.600 0.008 0.000 0.997 53 E CA 2.113 58.572 56.400 0.098 0.000 0.801 53 E CB -0.256 29.503 29.700 0.097 0.000 0.746 53 E HN 0.299 nan 8.360 nan 0.000 0.450 54 T N 0.600 115.183 114.554 0.049 0.000 2.746 54 T HA -0.165 4.185 4.350 -0.001 0.000 0.267 54 T C 1.920 176.554 174.700 -0.109 0.000 1.039 54 T CA 1.742 63.872 62.100 0.050 0.000 1.142 54 T CB -0.246 68.750 68.868 0.214 0.000 0.866 54 T HN 0.186 nan 8.240 nan 0.000 0.444 55 M N 1.040 120.461 119.600 -0.298 0.000 2.065 55 M HA -0.124 4.356 4.480 -0.001 0.000 0.259 55 M C 2.340 178.384 176.300 -0.427 0.000 1.069 55 M CA 1.658 56.642 55.300 -0.528 0.000 1.110 55 M CB -0.475 31.883 32.600 -0.404 0.000 1.328 55 M HN 0.098 nan 8.290 nan 0.000 0.405 56 D N 0.609 120.665 120.400 -0.573 0.000 2.104 56 D HA -0.152 4.487 4.640 -0.001 0.000 0.194 56 D C 1.821 177.860 176.300 -0.434 0.000 0.994 56 D CA 1.524 55.021 54.000 -0.838 0.000 0.830 56 D CB 0.014 40.250 40.800 -0.941 0.000 0.959 56 D HN 0.226 nan 8.370 nan 0.000 0.452 57 K N -0.129 120.120 120.400 -0.252 0.000 2.057 57 K HA -0.058 4.262 4.320 -0.001 0.000 0.207 57 K C 2.163 178.692 176.600 -0.119 0.000 1.049 57 K CA 1.133 57.331 56.287 -0.147 0.000 0.931 57 K CB -0.150 32.308 32.500 -0.069 0.000 0.714 57 K HN 0.114 nan 8.250 nan 0.000 0.440 58 A N 0.878 123.650 122.820 -0.079 0.000 1.933 58 A HA -0.112 4.207 4.320 -0.001 0.000 0.218 58 A C 2.329 179.834 177.584 -0.131 0.000 1.175 58 A CA 1.333 53.364 52.037 -0.011 0.000 0.628 58 A CB -0.533 18.612 19.000 0.241 0.000 0.814 58 A HN 0.070 nan 8.150 nan 0.000 0.444 59 V N -0.131 119.722 119.914 -0.102 0.000 2.307 59 V HA -0.303 3.817 4.120 -0.001 0.000 0.245 59 V C 2.614 178.648 176.094 -0.100 0.000 1.045 59 V CA 2.209 64.464 62.300 -0.074 0.000 1.024 59 V CB -0.957 30.782 31.823 -0.139 0.000 0.651 59 V HN 0.636 nan 8.190 nan 0.000 0.449 60 Q N -0.464 119.239 119.800 -0.161 0.000 2.124 60 Q HA -0.213 4.127 4.340 -0.001 0.000 0.202 60 Q C 2.512 178.436 176.000 -0.127 0.000 0.977 60 Q CA 1.519 57.238 55.803 -0.139 0.000 0.850 60 Q CB -0.266 28.378 28.738 -0.156 0.000 0.901 60 Q HN 0.489 nan 8.270 nan 0.000 0.429 61 R N 0.191 120.607 120.500 -0.141 0.000 2.080 61 R HA -0.189 4.151 4.340 -0.001 0.000 0.236 61 R C 2.168 178.359 176.300 -0.182 0.000 1.137 61 R CA 1.625 57.637 56.100 -0.147 0.000 0.943 61 R CB -0.406 29.809 30.300 -0.142 0.000 0.846 61 R HN 0.268 nan 8.270 nan 0.000 0.431 62 F N 1.521 121.225 119.950 -0.411 0.000 2.095 62 F HA -0.204 4.323 4.527 -0.000 0.000 0.298 62 F C 2.314 177.989 175.800 -0.208 0.000 1.104 62 F CA 1.723 59.475 58.000 -0.414 0.000 1.232 62 F CB -0.140 38.453 39.000 -0.678 0.000 0.987 62 F HN -0.043 nan 8.300 nan 0.000 0.475 63 R N -0.358 120.042 120.500 -0.166 0.000 2.096 63 R HA -0.147 4.193 4.340 -0.001 0.000 0.235 63 R C 2.030 178.189 176.300 -0.234 0.000 1.127 63 R CA 1.368 57.351 56.100 -0.194 0.000 0.968 63 R CB -0.559 29.708 30.300 -0.055 0.000 0.861 63 R HN 0.283 nan 8.270 nan 0.000 0.440 64 L N 0.993 122.099 121.223 -0.196 0.000 2.046 64 L HA -0.178 4.162 4.340 -0.001 0.000 0.208 64 L C 2.052 178.806 176.870 -0.194 0.000 1.077 64 L CA 1.766 56.509 54.840 -0.163 0.000 0.747 64 L CB -0.558 41.425 42.059 -0.127 0.000 0.896 64 L HN 0.183 nan 8.230 nan 0.000 0.432 65 Q N -0.772 118.869 119.800 -0.264 0.000 2.425 65 Q HA 0.083 4.423 4.340 -0.001 0.000 0.204 65 Q C -0.088 175.712 176.000 -0.334 0.000 0.933 65 Q CA 0.298 55.947 55.803 -0.257 0.000 0.939 65 Q CB 0.251 28.850 28.738 -0.231 0.000 1.044 65 Q HN 0.506 nan 8.270 nan 0.000 0.513 66 N N 0.614 119.034 118.700 -0.468 0.000 2.687 66 N HA 0.119 4.859 4.740 -0.001 0.000 0.275 66 N C -2.305 173.016 175.510 -0.315 0.000 1.789 66 N CA -0.665 52.094 53.050 -0.484 0.000 0.806 66 N CB 1.260 39.156 38.487 -0.984 0.000 1.256 66 N HN 0.080 nan 8.380 nan 0.000 0.500 67 P HA -0.008 nan 4.420 nan 0.000 0.223 67 P C 0.214 177.465 177.300 -0.082 0.000 1.151 67 P CA 1.078 64.104 63.100 -0.123 0.000 0.787 67 P CB 0.474 32.115 31.700 -0.098 0.000 0.788 68 D N -0.588 119.765 120.400 -0.077 0.000 2.339 68 D HA 0.058 4.698 4.640 -0.001 0.000 0.217 68 D C 0.709 176.996 176.300 -0.021 0.000 1.050 68 D CA -0.105 53.870 54.000 -0.043 0.000 0.856 68 D CB -0.312 40.465 40.800 -0.038 0.000 0.922 68 D HN 0.149 nan 8.370 nan 0.000 0.518 69 L N 1.602 122.816 121.223 -0.015 0.000 2.410 69 L HA 0.157 4.496 4.340 -0.001 0.000 0.273 69 L C -0.127 176.761 176.870 0.029 0.000 1.152 69 L CA -0.248 54.612 54.840 0.034 0.000 0.855 69 L CB 0.746 42.872 42.059 0.111 0.000 1.129 69 L HN -0.260 nan 8.230 nan 0.000 0.463 70 D N 2.034 122.449 120.400 0.025 0.000 2.374 70 D HA 0.136 4.776 4.640 -0.001 0.000 0.240 70 D C 0.975 177.279 176.300 0.006 0.000 1.229 70 D CA 0.527 54.534 54.000 0.010 0.000 0.895 70 D CB 0.953 41.756 40.800 0.005 0.000 1.046 70 D HN 0.701 nan 8.370 nan 0.000 0.498 71 S N 3.330 119.029 115.700 -0.003 0.000 2.362 71 S HA -0.099 4.370 4.470 -0.001 0.000 0.221 71 S C 1.494 176.053 174.600 -0.069 0.000 1.032 71 S CA 0.217 58.398 58.200 -0.031 0.000 0.973 71 S CB -0.073 63.113 63.200 -0.025 0.000 0.849 71 S HN 0.397 nan 8.310 nan 0.000 0.465 72 E N 2.207 122.375 120.200 -0.053 0.000 2.153 72 E HA 0.027 4.377 4.350 -0.001 0.000 0.194 72 E C 2.308 178.874 176.600 -0.056 0.000 0.988 72 E CA 1.173 57.536 56.400 -0.062 0.000 0.811 72 E CB -0.669 29.006 29.700 -0.042 0.000 0.746 72 E HN 0.662 nan 8.360 nan 0.000 0.466 73 A N 1.347 124.145 122.820 -0.037 0.000 1.897 73 A HA -0.079 4.241 4.320 -0.001 0.000 0.215 73 A C 2.296 179.863 177.584 -0.028 0.000 1.181 73 A CA 0.957 52.979 52.037 -0.024 0.000 0.620 73 A CB -0.689 18.305 19.000 -0.010 0.000 0.821 73 A HN 0.270 nan 8.150 nan 0.000 0.443 74 L N -0.452 120.747 121.223 -0.040 0.000 2.012 74 L HA -0.158 4.181 4.340 -0.001 0.000 0.210 74 L C 2.313 179.130 176.870 -0.088 0.000 1.073 74 L CA 1.593 56.406 54.840 -0.045 0.000 0.748 74 L CB -0.236 41.791 42.059 -0.053 0.000 0.891 74 L HN 0.406 nan 8.230 nan 0.000 0.431 75 L N -0.526 120.585 121.223 -0.186 0.000 2.275 75 L HA -0.142 4.198 4.340 -0.001 0.000 0.215 75 L C 2.322 179.135 176.870 -0.095 0.000 1.119 75 L CA 1.510 56.171 54.840 -0.297 0.000 0.790 75 L CB -0.603 41.244 42.059 -0.353 0.000 0.919 75 L HN 0.505 nan 8.230 nan 0.000 0.443 76 T N -3.525 111.001 114.554 -0.047 0.000 3.086 76 T HA 0.181 4.530 4.350 -0.001 0.000 0.250 76 T C 0.720 175.433 174.700 0.022 0.000 1.074 76 T CA -0.293 61.803 62.100 -0.005 0.000 0.988 76 T CB -0.176 68.684 68.868 -0.013 0.000 0.988 76 T HN 0.015 nan 8.240 nan 0.000 0.530 77 L N 2.902 124.143 121.223 0.029 0.000 2.499 77 L HA 0.281 4.621 4.340 -0.001 0.000 0.273 77 L C -2.002 174.904 176.870 0.059 0.000 1.195 77 L CA -1.959 52.906 54.840 0.042 0.000 0.882 77 L CB 0.145 42.231 42.059 0.045 0.000 1.133 77 L HN 0.076 nan 8.230 nan 0.000 0.483 78 P HA -0.071 nan 4.420 nan 0.000 0.268 78 P C 0.522 177.849 177.300 0.045 0.000 1.208 78 P CA -0.425 62.704 63.100 0.049 0.000 0.777 78 P CB 0.627 32.352 31.700 0.041 0.000 0.875 79 L N 2.931 124.175 121.223 0.034 0.000 2.042 79 L HA -0.175 4.165 4.340 -0.001 0.000 0.210 79 L C 1.973 178.850 176.870 0.013 0.000 1.076 79 L CA 1.853 56.701 54.840 0.013 0.000 0.749 79 L CB -1.498 40.552 42.059 -0.014 0.000 0.893 79 L HN 0.272 nan 8.230 nan 0.000 0.432 80 L N -0.725 120.509 121.223 0.019 0.000 2.079 80 L HA -0.233 4.107 4.340 -0.001 0.000 0.210 80 L C 2.614 179.502 176.870 0.029 0.000 1.081 80 L CA 1.744 56.598 54.840 0.023 0.000 0.752 80 L CB -0.496 41.584 42.059 0.035 0.000 0.896 80 L HN 0.455 nan 8.230 nan 0.000 0.433 81 Q N -1.525 118.294 119.800 0.032 0.000 2.083 81 Q HA -0.190 4.150 4.340 -0.001 0.000 0.198 81 Q C 2.235 178.256 176.000 0.035 0.000 0.969 81 Q CA 1.206 57.029 55.803 0.034 0.000 0.838 81 Q CB -0.355 28.403 28.738 0.034 0.000 0.900 81 Q HN 0.377 nan 8.270 nan 0.000 0.436 82 L N 0.786 122.031 121.223 0.037 0.000 2.013 82 L HA -0.205 4.135 4.340 -0.001 0.000 0.212 82 L C 2.230 179.117 176.870 0.029 0.000 1.073 82 L CA 1.523 56.385 54.840 0.038 0.000 0.753 82 L CB -0.544 41.543 42.059 0.047 0.000 0.890 82 L HN -0.019 nan 8.230 nan 0.000 0.432 83 V N 0.328 120.255 119.914 0.022 0.000 2.343 83 V HA -0.346 3.773 4.120 -0.001 0.000 0.247 83 V C 2.649 178.773 176.094 0.050 0.000 1.051 83 V CA 2.088 64.406 62.300 0.028 0.000 1.036 83 V CB -0.997 30.837 31.823 0.018 0.000 0.654 83 V HN 0.771 nan 8.190 nan 0.000 0.451 84 Q N 0.295 120.121 119.800 0.042 0.000 2.124 84 Q HA -0.247 4.092 4.340 -0.001 0.000 0.202 84 Q C 2.117 178.148 176.000 0.051 0.000 0.977 84 Q CA 1.699 57.529 55.803 0.045 0.000 0.850 84 Q CB -0.448 28.312 28.738 0.037 0.000 0.901 84 Q HN 0.528 nan 8.270 nan 0.000 0.429 85 K N -0.001 120.428 120.400 0.048 0.000 2.097 85 K HA -0.067 4.253 4.320 -0.001 0.000 0.205 85 K C 2.025 178.666 176.600 0.069 0.000 1.050 85 K CA 0.804 57.122 56.287 0.051 0.000 0.938 85 K CB 0.015 32.541 32.500 0.044 0.000 0.718 85 K HN 0.124 nan 8.250 nan 0.000 0.442 86 L N 1.154 122.423 121.223 0.076 0.000 2.046 86 L HA -0.169 4.170 4.340 -0.001 0.000 0.208 86 L C 2.363 179.361 176.870 0.213 0.000 1.077 86 L CA 1.751 56.662 54.840 0.119 0.000 0.747 86 L CB -0.981 41.117 42.059 0.066 0.000 0.896 86 L HN 0.167 nan 8.230 nan 0.000 0.432 87 Q N -0.489 119.408 119.800 0.162 0.000 2.224 87 Q HA -0.117 4.223 4.340 -0.001 0.000 0.203 87 Q C 2.294 178.334 176.000 0.066 0.000 0.970 87 Q CA 1.489 57.362 55.803 0.116 0.000 0.865 87 Q CB -0.094 28.690 28.738 0.076 0.000 0.922 87 Q HN 0.564 nan 8.270 nan 0.000 0.445 88 S N -2.281 113.459 115.700 0.066 0.000 2.548 88 S HA 0.240 4.710 4.470 -0.001 0.000 0.215 88 S C 1.378 176.009 174.600 0.052 0.000 0.976 88 S CA 0.503 58.731 58.200 0.047 0.000 0.908 88 S CB 0.209 63.433 63.200 0.040 0.000 0.781 88 S HN 0.544 nan 8.310 nan 0.000 0.519 89 G N 1.306 110.152 108.800 0.077 0.000 2.148 89 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.254 89 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.254 89 G C 0.536 175.475 174.900 0.065 0.000 0.981 89 G CA 0.535 45.682 45.100 0.079 0.000 0.670 89 G HN 0.570 nan 8.290 nan 0.000 0.528 90 E N -0.843 119.392 120.200 0.058 0.000 2.152 90 E HA 0.127 4.477 4.350 -0.001 0.000 0.192 90 E C 0.945 177.577 176.600 0.054 0.000 0.983 90 E CA 0.453 56.882 56.400 0.049 0.000 0.818 90 E CB 0.007 29.732 29.700 0.042 0.000 0.758 90 E HN 0.583 nan 8.360 nan 0.000 0.467 91 L N 0.976 122.235 121.223 0.060 0.000 2.346 91 L HA 0.244 4.584 4.340 -0.001 0.000 0.274 91 L C 0.022 176.933 176.870 0.068 0.000 1.007 91 L CA -0.852 54.025 54.840 0.062 0.000 0.818 91 L CB 1.937 44.025 42.059 0.049 0.000 1.284 91 L HN -0.022 nan 8.230 nan 0.000 0.424 92 S N 1.462 117.208 115.700 0.077 0.000 2.586 92 S HA 0.367 4.837 4.470 -0.001 0.000 0.274 92 S C -1.846 172.764 174.600 0.017 0.000 1.281 92 S CA -1.167 57.079 58.200 0.076 0.000 1.035 92 S CB 1.309 64.577 63.200 0.112 0.000 0.962 92 S HN 0.451 nan 8.310 nan 0.000 0.512 93 P HA -0.081 nan 4.420 nan 0.000 0.219 93 P C 0.787 178.029 177.300 -0.098 0.000 1.146 93 P CA 1.151 64.152 63.100 -0.164 0.000 0.808 93 P CB 0.042 31.547 31.700 -0.325 0.000 0.779 94 E N 0.469 120.664 120.200 -0.008 0.000 2.047 94 E HA -0.105 4.245 4.350 -0.001 0.000 0.191 94 E C 2.316 178.886 176.600 -0.049 0.000 0.987 94 E CA 1.582 58.020 56.400 0.063 0.000 0.799 94 E CB -1.303 28.550 29.700 0.255 0.000 0.752 94 E HN 0.168 nan 8.360 nan 0.000 0.449 95 A N 0.611 123.452 122.820 0.034 0.000 1.883 95 A HA -0.186 4.134 4.320 -0.001 0.000 0.217 95 A C 2.508 180.017 177.584 -0.125 0.000 1.186 95 A CA 1.703 53.740 52.037 -0.001 0.000 0.624 95 A CB -0.902 18.222 19.000 0.207 0.000 0.822 95 A HN 0.148 nan 8.150 nan 0.000 0.444 96 V N -1.228 118.650 119.914 -0.061 0.000 2.295 96 V HA -0.254 3.866 4.120 -0.001 0.000 0.246 96 V C 2.304 178.340 176.094 -0.097 0.000 1.049 96 V CA 2.213 64.492 62.300 -0.036 0.000 1.024 96 V CB -1.003 30.809 31.823 -0.019 0.000 0.648 96 V HN 0.641 nan 8.190 nan 0.000 0.447 97 F N 0.266 120.003 119.950 -0.355 0.000 2.102 97 F HA -0.188 4.338 4.527 -0.001 0.000 0.298 97 F C 2.045 177.483 175.800 -0.603 0.000 1.105 97 F CA 1.820 59.497 58.000 -0.537 0.000 1.239 97 F CB -0.311 38.281 39.000 -0.681 0.000 0.991 97 F HN 0.120 nan 8.300 nan 0.000 0.474 98 F N 0.365 120.056 119.950 -0.432 0.000 2.325 98 F HA -0.089 4.438 4.527 -0.000 0.000 0.299 98 F C 2.496 178.018 175.800 -0.463 0.000 1.090 98 F CA 1.494 59.145 58.000 -0.580 0.000 1.392 98 F CB -1.325 37.125 39.000 -0.917 0.000 1.053 98 F HN -0.098 nan 8.300 nan 0.000 0.521 99 T N -1.301 113.096 114.554 -0.261 0.000 2.737 99 T HA -0.196 4.154 4.350 -0.001 0.000 0.265 99 T C 1.708 176.243 174.700 -0.275 0.000 1.038 99 T CA 1.353 63.340 62.100 -0.189 0.000 1.144 99 T CB -0.529 68.236 68.868 -0.171 0.000 0.866 99 T HN 0.139 nan 8.240 nan 0.000 0.434 100 Y N 1.078 121.181 120.300 -0.328 0.000 2.242 100 Y HA 0.050 4.600 4.550 -0.000 0.000 0.291 100 Y C 2.243 177.890 175.900 -0.422 0.000 1.137 100 Y CA 0.502 58.374 58.100 -0.380 0.000 1.181 100 Y CB -0.426 37.713 38.460 -0.535 0.000 0.989 100 Y HN 0.117 nan 8.280 nan 0.000 0.527 101 L N -1.000 119.939 121.223 -0.474 0.000 2.012 101 L HA -0.234 4.106 4.340 -0.001 0.000 0.210 101 L C 2.482 179.309 176.870 -0.071 0.000 1.073 101 L CA 1.790 56.415 54.840 -0.358 0.000 0.748 101 L CB -1.023 40.721 42.059 -0.525 0.000 0.891 101 L HN 0.392 nan 8.230 nan 0.000 0.431 102 G N -0.417 108.343 108.800 -0.067 0.000 2.440 102 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.218 102 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.218 102 G C 1.605 176.569 174.900 0.107 0.000 1.154 102 G CA 1.041 46.158 45.100 0.029 0.000 0.767 102 G HN 0.221 nan 8.290 nan 0.000 0.552 103 K N 1.106 121.516 120.400 0.017 0.000 2.026 103 K HA 0.149 4.469 4.320 -0.001 0.000 0.208 103 K C 2.729 179.389 176.600 0.100 0.000 1.048 103 K CA 1.532 57.833 56.287 0.024 0.000 0.929 103 K CB -0.743 31.704 32.500 -0.087 0.000 0.713 103 K HN 0.165 nan 8.250 nan 0.000 0.439 104 A N -0.180 122.734 122.820 0.157 0.000 1.917 104 A HA -0.197 4.122 4.320 -0.001 0.000 0.219 104 A C 2.184 179.872 177.584 0.173 0.000 1.182 104 A CA 1.790 53.952 52.037 0.207 0.000 0.633 104 A CB -1.264 17.965 19.000 0.382 0.000 0.819 104 A HN 0.686 nan 8.150 nan 0.000 0.448 105 W N 0.782 122.087 121.300 0.008 0.000 2.358 105 W HA -0.148 4.512 4.660 -0.001 0.000 0.303 105 W C 2.040 178.552 176.519 -0.012 0.000 1.208 105 W CA 1.943 59.279 57.345 -0.015 0.000 1.274 105 W CB -0.149 29.287 29.460 -0.039 0.000 1.138 105 W HN 0.496 nan 8.180 nan 0.000 0.515 106 E N -0.224 120.057 120.200 0.134 0.000 2.031 106 E HA -0.262 4.087 4.350 -0.001 0.000 0.193 106 E C 2.229 178.752 176.600 -0.128 0.000 0.994 106 E CA 2.411 58.785 56.400 -0.043 0.000 0.800 106 E CB -0.751 29.000 29.700 0.086 0.000 0.752 106 E HN 0.300 nan 8.360 nan 0.000 0.447 107 V N 0.085 119.966 119.914 -0.055 0.000 2.667 107 V HA -0.164 3.956 4.120 -0.001 0.000 0.252 107 V C 1.841 177.883 176.094 -0.087 0.000 1.065 107 V CA 2.026 64.290 62.300 -0.060 0.000 1.083 107 V CB -0.581 31.232 31.823 -0.017 0.000 0.692 107 V HN 0.136 nan 8.190 nan 0.000 0.468 108 N N 1.128 119.760 118.700 -0.114 0.000 2.223 108 N HA -0.169 4.571 4.740 -0.001 0.000 0.185 108 N C 1.735 177.133 175.510 -0.186 0.000 1.016 108 N CA 1.758 54.726 53.050 -0.136 0.000 0.863 108 N CB -0.393 38.006 38.487 -0.146 0.000 0.983 108 N HN 0.610 nan 8.380 nan 0.000 0.429 109 K N -1.099 119.134 120.400 -0.279 0.000 2.074 109 K HA -0.088 4.232 4.320 -0.001 0.000 0.209 109 K C 1.778 178.287 176.600 -0.151 0.000 1.048 109 K CA 1.442 57.570 56.287 -0.264 0.000 0.926 109 K CB -0.319 31.992 32.500 -0.316 0.000 0.713 109 K HN 0.304 nan 8.250 nan 0.000 0.444 110 G N -0.312 108.417 108.800 -0.118 0.000 2.838 110 G HA2 -0.088 3.872 3.960 -0.001 0.000 0.210 110 G HA3 -0.088 3.872 3.960 -0.001 0.000 0.210 110 G C 1.259 176.130 174.900 -0.048 0.000 1.153 110 G CA 0.777 45.832 45.100 -0.075 0.000 0.778 110 G HN 0.400 nan 8.290 nan 0.000 0.539 111 T N -3.086 111.439 114.554 -0.048 0.000 2.964 111 T HA 0.119 4.469 4.350 -0.001 0.000 0.249 111 T C 0.958 175.649 174.700 -0.014 0.000 1.000 111 T CA 0.442 62.531 62.100 -0.019 0.000 0.992 111 T CB -0.057 68.807 68.868 -0.007 0.000 1.087 111 T HN 0.190 nan 8.240 nan 0.000 0.489 112 N N 0.853 119.533 118.700 -0.033 0.000 2.714 112 N HA -0.211 4.528 4.740 -0.001 0.000 0.253 112 N C 0.722 176.226 175.510 -0.010 0.000 1.024 112 N CA 0.678 53.716 53.050 -0.019 0.000 0.726 112 N CB -1.810 36.680 38.487 0.005 0.000 0.908 112 N HN 0.806 nan 8.380 nan 0.000 0.542 113 C N -3.124 116.161 119.300 -0.024 0.000 2.674 113 C HA 0.479 4.938 4.460 -0.001 0.000 0.276 113 C C 0.981 175.936 174.990 -0.059 0.000 1.300 113 C CA -0.389 58.614 59.018 -0.025 0.000 1.732 113 C CB -0.740 26.994 27.740 -0.010 0.000 2.076 113 C HN 0.246 nan 8.230 nan 0.000 0.548 114 V N 3.052 122.925 119.914 -0.068 0.000 2.383 114 V HA 0.366 4.486 4.120 -0.001 0.000 0.275 114 V C 1.504 177.517 176.094 -0.135 0.000 1.036 114 V CA 0.941 63.186 62.300 -0.092 0.000 0.889 114 V CB 1.298 33.092 31.823 -0.049 0.000 0.985 114 V HN 0.659 nan 8.190 nan 0.000 0.459 115 T N 0.323 114.733 114.554 -0.240 0.000 3.040 115 T HA 0.172 4.521 4.350 -0.001 0.000 0.252 115 T C 0.715 175.279 174.700 -0.228 0.000 1.064 115 T CA 0.455 62.261 62.100 -0.490 0.000 1.110 115 T CB 0.429 68.687 68.868 -1.017 0.000 0.921 115 T HN 0.547 nan 8.240 nan 0.000 0.480 116 S N -0.468 115.182 115.700 -0.083 0.000 2.535 116 S HA 0.481 4.951 4.470 -0.001 0.000 0.272 116 S C -2.029 172.584 174.600 0.022 0.000 1.149 116 S CA -1.000 57.223 58.200 0.039 0.000 0.888 116 S CB 1.318 64.583 63.200 0.107 0.000 1.110 116 S HN 0.449 nan 8.310 nan 0.000 0.463 117 Y N 4.992 125.273 120.300 -0.031 0.000 2.313 117 Y HA 0.466 5.015 4.550 -0.001 0.000 0.332 117 Y C 0.612 176.439 175.900 -0.121 0.000 1.071 117 Y CA -0.582 57.490 58.100 -0.046 0.000 1.169 117 Y CB 0.706 39.211 38.460 0.074 0.000 1.192 117 Y HN 0.678 nan 8.280 nan 0.000 0.487 118 L N 6.112 126.943 121.223 -0.654 0.000 2.645 118 L HA -0.043 4.297 4.340 -0.001 0.000 0.235 118 L C 1.493 177.985 176.870 -0.629 0.000 1.150 118 L CA 0.966 55.234 54.840 -0.955 0.000 0.911 118 L CB -1.242 40.031 42.059 -1.310 0.000 1.077 118 L HN 1.156 nan 8.230 nan 0.000 0.438 119 T N -3.592 110.467 114.554 -0.825 0.000 13.302 119 T HA -0.484 3.866 4.350 -0.001 0.000 0.419 119 T C 1.076 175.661 174.700 -0.191 0.000 1.442 119 T CA 1.580 63.450 62.100 -0.382 0.000 2.360 119 T CB -1.265 67.613 68.868 0.018 0.000 2.805 119 T HN 0.334 nan 8.240 nan 0.000 0.605 120 D N 1.685 122.059 120.400 -0.044 0.000 2.378 120 D HA 0.029 4.669 4.640 -0.001 0.000 0.222 120 D C 2.350 178.621 176.300 -0.048 0.000 0.980 120 D CA 1.425 55.432 54.000 0.013 0.000 0.907 120 D CB -0.520 40.348 40.800 0.113 0.000 0.899 120 D HN 0.981 nan 8.370 nan 0.000 0.527 121 C N -0.815 118.404 119.300 -0.135 0.000 2.437 121 C HA 0.033 4.493 4.460 -0.001 0.000 0.283 121 C C 2.106 176.884 174.990 -0.354 0.000 1.424 121 C CA -0.114 58.796 59.018 -0.180 0.000 1.782 121 C CB -1.060 26.605 27.740 -0.126 0.000 1.833 121 C HN 0.256 nan 8.230 nan 0.000 0.532 122 E N 1.589 121.631 120.200 -0.263 0.000 2.208 122 E HA -0.119 4.230 4.350 -0.001 0.000 0.193 122 E C 2.418 178.917 176.600 -0.167 0.000 0.988 122 E CA 1.731 57.968 56.400 -0.272 0.000 0.828 122 E CB -0.140 29.561 29.700 0.002 0.000 0.763 122 E HN 0.933 nan 8.360 nan 0.000 0.478 123 T N -1.138 113.354 114.554 -0.102 0.000 2.978 123 T HA -0.140 4.210 4.350 -0.001 0.000 0.262 123 T C 2.001 176.651 174.700 -0.083 0.000 1.063 123 T CA 0.894 62.955 62.100 -0.066 0.000 1.140 123 T CB 0.106 68.958 68.868 -0.027 0.000 0.886 123 T HN -0.027 nan 8.240 nan 0.000 0.470 124 Q N 1.114 120.851 119.800 -0.105 0.000 2.084 124 Q HA 0.063 4.403 4.340 -0.001 0.000 0.202 124 Q C 2.231 178.147 176.000 -0.139 0.000 0.978 124 Q CA 1.338 57.081 55.803 -0.099 0.000 0.844 124 Q CB -0.995 27.696 28.738 -0.079 0.000 0.898 124 Q HN 0.587 nan 8.270 nan 0.000 0.426 125 L N 0.332 121.405 121.223 -0.250 0.000 2.051 125 L HA -0.252 4.088 4.340 -0.001 0.000 0.214 125 L C 2.261 179.040 176.870 -0.152 0.000 1.076 125 L CA 2.247 56.906 54.840 -0.303 0.000 0.758 125 L CB -0.659 41.086 42.059 -0.524 0.000 0.890 125 L HN 0.576 nan 8.230 nan 0.000 0.433 126 S N -1.924 113.716 115.700 -0.099 0.000 2.470 126 S HA -0.145 4.325 4.470 -0.001 0.000 0.225 126 S C 1.585 176.185 174.600 -0.001 0.000 1.006 126 S CA 0.371 58.554 58.200 -0.029 0.000 0.934 126 S CB 0.005 63.196 63.200 -0.015 0.000 0.778 126 S HN 0.578 nan 8.310 nan 0.000 0.517 127 Q N 0.760 120.550 119.800 -0.016 0.000 2.282 127 Q HA 0.469 4.809 4.340 -0.001 0.000 0.206 127 Q C 0.378 176.390 176.000 0.020 0.000 0.878 127 Q CA 0.021 55.824 55.803 -0.001 0.000 0.944 127 Q CB 0.497 29.223 28.738 -0.019 0.000 1.100 127 Q HN 0.678 nan 8.270 nan 0.000 0.509 128 A N 2.916 125.762 122.820 0.043 0.000 2.545 128 A HA 0.173 4.493 4.320 -0.001 0.000 0.253 128 A C -2.233 175.460 177.584 0.181 0.000 1.074 128 A CA -0.949 51.147 52.037 0.098 0.000 0.760 128 A CB -0.260 18.785 19.000 0.074 0.000 1.005 128 A HN -0.003 nan 8.150 nan 0.000 0.506 129 P HA 0.059 nan 4.420 nan 0.000 0.262 129 P C 0.896 178.164 177.300 -0.054 0.000 1.199 129 P CA -0.177 62.938 63.100 0.025 0.000 0.763 129 P CB 0.470 32.176 31.700 0.009 0.000 0.790 130 R N 2.596 122.934 120.500 -0.270 0.000 2.105 130 R HA -0.177 4.163 4.340 -0.001 0.000 0.239 130 R C 1.193 177.198 176.300 -0.492 0.000 1.135 130 R CA 1.691 57.356 56.100 -0.725 0.000 0.967 130 R CB -0.154 29.863 30.300 -0.472 0.000 0.861 130 R HN 0.539 nan 8.270 nan 0.000 0.442 131 Q N -0.711 118.961 119.800 -0.213 0.000 2.403 131 Q HA 0.142 4.482 4.340 -0.001 0.000 0.203 131 Q C 0.153 176.129 176.000 -0.040 0.000 0.932 131 Q CA 0.052 55.789 55.803 -0.111 0.000 0.945 131 Q CB 0.768 29.466 28.738 -0.066 0.000 1.045 131 Q HN 0.261 nan 8.270 nan 0.000 0.511 132 G N -0.210 108.585 108.800 -0.009 0.000 2.441 132 G HA2 0.103 4.063 3.960 -0.001 0.000 0.243 132 G HA3 0.103 4.063 3.960 -0.001 0.000 0.243 132 G C 0.384 175.321 174.900 0.063 0.000 1.281 132 G CA -0.485 44.645 45.100 0.050 0.000 0.854 132 G HN 0.201 nan 8.290 nan 0.000 0.560 133 L N 1.541 122.785 121.223 0.034 0.000 2.187 133 L HA 0.008 4.348 4.340 -0.001 0.000 0.213 133 L C 2.266 179.150 176.870 0.023 0.000 1.100 133 L CA 1.272 56.122 54.840 0.017 0.000 0.765 133 L CB -0.323 41.727 42.059 -0.015 0.000 0.904 133 L HN 0.508 nan 8.230 nan 0.000 0.437 134 L N -1.857 119.384 121.223 0.030 0.000 3.017 134 L HA 0.133 4.473 4.340 -0.001 0.000 0.255 134 L C -0.139 176.751 176.870 0.033 0.000 1.247 134 L CA -0.600 54.244 54.840 0.007 0.000 1.038 134 L CB -0.321 41.719 42.059 -0.032 0.000 1.380 134 L HN 0.084 nan 8.230 nan 0.000 0.548 135 Y N 1.219 121.497 120.300 -0.037 0.000 2.745 135 Y HA 0.201 4.751 4.550 -0.001 0.000 0.335 135 Y C 1.402 177.281 175.900 -0.035 0.000 1.212 135 Y CA 1.088 59.167 58.100 -0.034 0.000 1.535 135 Y CB 0.441 38.886 38.460 -0.024 0.000 1.220 135 Y HN 0.375 nan 8.280 nan 0.000 0.531 136 G N 3.628 112.062 108.800 -0.610 0.000 2.157 136 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.248 136 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.248 136 G C -0.547 174.186 174.900 -0.279 0.000 0.979 136 G CA 0.017 44.767 45.100 -0.584 0.000 0.650 136 G HN 0.729 nan 8.290 nan 0.000 0.529 137 V N 2.373 122.171 119.914 -0.194 0.000 2.406 137 V HA 0.437 4.557 4.120 -0.001 0.000 0.272 137 V C -1.666 174.342 176.094 -0.144 0.000 1.043 137 V CA -1.524 60.680 62.300 -0.159 0.000 0.915 137 V CB 1.494 33.244 31.823 -0.121 0.000 0.988 137 V HN 0.127 nan 8.190 nan 0.000 0.466 138 P HA 0.288 nan 4.420 nan 0.000 0.276 138 P C -0.887 176.397 177.300 -0.026 0.000 1.230 138 P CA -0.051 62.949 63.100 -0.166 0.000 0.776 138 P CB 0.913 32.253 31.700 -0.600 0.000 0.888 139 V N 2.579 122.616 119.914 0.205 0.000 2.638 139 V HA 0.402 4.522 4.120 -0.001 0.000 0.306 139 V C 0.100 176.234 176.094 0.067 0.000 1.052 139 V CA -0.616 61.740 62.300 0.094 0.000 0.885 139 V CB 2.018 33.825 31.823 -0.027 0.000 0.999 139 V HN 0.607 nan 8.190 nan 0.000 0.424 140 S N 5.289 120.947 115.700 -0.070 0.000 2.585 140 S HA 0.846 5.315 4.470 -0.001 0.000 0.277 140 S C -0.772 173.712 174.600 -0.193 0.000 1.241 140 S CA -0.708 57.322 58.200 -0.283 0.000 1.041 140 S CB 1.249 64.289 63.200 -0.266 0.000 0.987 140 S HN 0.524 nan 8.310 nan 0.000 0.512 141 L N 1.865 122.994 121.223 -0.158 0.000 2.381 141 L HA 0.513 4.853 4.340 -0.001 0.000 0.274 141 L C 0.135 177.091 176.870 0.144 0.000 0.988 141 L CA -0.907 53.914 54.840 -0.032 0.000 0.824 141 L CB 1.790 43.884 42.059 0.059 0.000 1.263 141 L HN 0.751 nan 8.230 nan 0.000 0.410 142 K N 2.078 122.624 120.400 0.244 0.000 2.561 142 K HA -0.110 4.210 4.320 -0.001 0.000 0.280 142 K C 1.083 177.745 176.600 0.104 0.000 0.975 142 K CA 0.299 56.715 56.287 0.215 0.000 1.024 142 K CB 0.633 33.309 32.500 0.292 0.000 0.883 142 K HN 0.671 nan 8.250 nan 0.000 0.496 143 E N 2.471 122.580 120.200 -0.153 0.000 2.265 143 E HA -0.201 4.149 4.350 -0.001 0.000 0.196 143 E C 1.479 177.792 176.600 -0.479 0.000 0.996 143 E CA 1.443 57.510 56.400 -0.555 0.000 0.832 143 E CB -0.091 29.405 29.700 -0.340 0.000 0.756 143 E HN 0.801 nan 8.360 nan 0.000 0.491 144 C N -0.478 118.684 119.300 -0.231 0.000 2.472 144 C HA 0.115 4.574 4.460 -0.001 0.000 0.278 144 C C 1.100 175.955 174.990 -0.224 0.000 1.447 144 C CA -0.751 58.136 59.018 -0.220 0.000 1.773 144 C CB -1.723 25.870 27.740 -0.245 0.000 1.793 144 C HN 0.042 nan 8.230 nan 0.000 0.544 145 F N 3.407 123.357 119.950 0.001 0.000 2.494 145 F HA 0.267 4.794 4.527 -0.001 0.000 0.351 145 F C 1.071 177.003 175.800 0.221 0.000 1.205 145 F CA 0.076 58.140 58.000 0.107 0.000 1.125 145 F CB -0.114 38.960 39.000 0.123 0.000 1.268 145 F HN 0.069 nan 8.300 nan 0.000 0.593 146 S N 3.295 119.153 115.700 0.262 0.000 2.563 146 S HA -0.059 4.411 4.470 -0.001 0.000 0.294 146 S C -0.726 174.067 174.600 0.323 0.000 1.279 146 S CA 0.166 58.523 58.200 0.261 0.000 1.069 146 S CB 0.039 63.326 63.200 0.144 0.000 0.828 146 S HN 0.516 nan 8.310 nan 0.000 0.497 147 Y N 2.228 122.648 120.300 0.201 0.000 2.373 147 Y HA 0.335 4.885 4.550 -0.001 0.000 0.336 147 Y C -0.019 175.958 175.900 0.128 0.000 0.979 147 Y CA -0.998 57.151 58.100 0.081 0.000 1.080 147 Y CB 0.993 39.367 38.460 -0.144 0.000 1.190 147 Y HN 0.601 nan 8.280 nan 0.000 0.446 148 K N 3.809 124.088 120.400 -0.202 0.000 2.491 148 K HA 0.230 4.550 4.320 -0.001 0.000 0.279 148 K C 0.977 177.684 176.600 0.179 0.000 1.026 148 K CA 1.726 57.987 56.287 -0.043 0.000 1.070 148 K CB -0.299 32.103 32.500 -0.163 0.000 0.887 148 K HN 1.109 nan 8.250 nan 0.000 0.481 149 G N 3.126 112.007 108.800 0.135 0.000 2.176 149 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.253 149 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.253 149 G C -0.287 174.571 174.900 -0.071 0.000 0.979 149 G CA -0.033 45.098 45.100 0.052 0.000 0.641 149 G HN 0.781 nan 8.290 nan 0.000 0.530 150 H N 0.500 119.664 119.070 0.157 0.000 2.622 150 H HA 0.408 4.963 4.556 -0.001 0.000 0.363 150 H C -0.758 174.684 175.328 0.191 0.000 1.151 150 H CA -0.819 55.333 56.048 0.173 0.000 1.184 150 H CB 1.673 31.538 29.762 0.172 0.000 1.643 150 H HN 0.152 nan 8.280 nan 0.000 0.531 151 D N 0.692 121.255 120.400 0.271 0.000 2.362 151 D HA 0.102 4.742 4.640 -0.001 0.000 0.242 151 D C -0.177 176.267 176.300 0.240 0.000 1.132 151 D CA 0.151 54.281 54.000 0.215 0.000 0.907 151 D CB 0.937 41.851 40.800 0.191 0.000 1.195 151 D HN 0.274 nan 8.370 nan 0.000 0.429 152 S N -0.137 115.651 115.700 0.147 0.000 2.406 152 S HA 0.130 4.600 4.470 -0.001 0.000 0.224 152 S C 1.313 175.950 174.600 0.062 0.000 1.426 152 S CA -0.596 57.638 58.200 0.057 0.000 1.179 152 S CB 0.638 63.857 63.200 0.031 0.000 1.042 152 S HN 0.523 nan 8.310 nan 0.000 0.479 153 T N 0.479 115.095 114.554 0.102 0.000 2.857 153 T HA -0.018 4.332 4.350 -0.001 0.000 0.266 153 T C 0.925 175.663 174.700 0.064 0.000 1.048 153 T CA 0.411 62.576 62.100 0.109 0.000 1.139 153 T CB -0.412 68.578 68.868 0.205 0.000 0.874 153 T HN 0.401 nan 8.240 nan 0.000 0.455 154 L N 0.886 122.146 121.223 0.062 0.000 4.429 154 L HA -0.127 4.213 4.340 -0.001 0.000 0.422 154 L C 1.510 178.418 176.870 0.062 0.000 1.149 154 L CA 0.991 55.858 54.840 0.046 0.000 0.972 154 L CB -2.268 39.801 42.059 0.017 0.000 2.059 154 L HN 0.883 nan 8.230 nan 0.000 0.870 155 G N -1.588 107.280 108.800 0.114 0.000 2.148 155 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.254 155 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.254 155 G C 0.277 175.176 174.900 -0.001 0.000 0.981 155 G CA 0.413 45.569 45.100 0.094 0.000 0.670 155 G HN 0.411 nan 8.290 nan 0.000 0.528 156 L N 0.671 121.866 121.223 -0.046 0.000 2.307 156 L HA 0.556 4.896 4.340 -0.001 0.000 0.284 156 L C 1.768 178.593 176.870 -0.076 0.000 1.023 156 L CA 0.071 54.833 54.840 -0.130 0.000 0.810 156 L CB 1.680 43.606 42.059 -0.221 0.000 1.231 156 L HN 0.141 nan 8.230 nan 0.000 0.423 157 S N 3.258 118.913 115.700 -0.075 0.000 2.400 157 S HA -0.158 4.311 4.470 -0.001 0.000 0.232 157 S C 1.723 176.295 174.600 -0.047 0.000 1.025 157 S CA 1.704 59.875 58.200 -0.049 0.000 0.993 157 S CB -0.260 62.914 63.200 -0.043 0.000 0.808 157 S HN 0.638 nan 8.310 nan 0.000 0.478 158 L N 0.040 121.223 121.223 -0.066 0.000 2.275 158 L HA 0.126 4.466 4.340 -0.001 0.000 0.215 158 L C 1.251 178.107 176.870 -0.022 0.000 1.119 158 L CA 1.537 56.349 54.840 -0.047 0.000 0.790 158 L CB -0.509 41.514 42.059 -0.060 0.000 0.919 158 L HN 0.131 nan 8.230 nan 0.000 0.443 159 N N -0.016 118.675 118.700 -0.016 0.000 2.236 159 N HA 0.035 4.774 4.740 -0.001 0.000 0.196 159 N C 0.103 175.634 175.510 0.034 0.000 1.114 159 N CA 0.156 53.215 53.050 0.014 0.000 0.859 159 N CB 0.068 38.568 38.487 0.021 0.000 0.982 159 N HN 0.469 nan 8.380 nan 0.000 0.493 160 E N 0.572 120.785 120.200 0.022 0.000 2.289 160 E HA 0.278 4.628 4.350 -0.001 0.000 0.278 160 E C 0.600 177.219 176.600 0.031 0.000 1.032 160 E CA 0.043 56.464 56.400 0.035 0.000 0.854 160 E CB 0.607 30.311 29.700 0.006 0.000 1.046 160 E HN 0.391 nan 8.360 nan 0.000 0.409 161 G N 4.725 113.552 108.800 0.045 0.000 2.136 161 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.242 161 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.242 161 G C 0.210 175.129 174.900 0.031 0.000 0.989 161 G CA 0.326 45.446 45.100 0.033 0.000 0.682 161 G HN 0.406 nan 8.290 nan 0.000 0.522 162 M N 1.340 120.964 119.600 0.041 0.000 2.634 162 M HA 0.268 4.747 4.480 -0.001 0.000 0.211 162 M C -2.488 173.845 176.300 0.054 0.000 1.019 162 M CA -1.894 53.429 55.300 0.038 0.000 0.834 162 M CB 0.745 33.364 32.600 0.031 0.000 1.376 162 M HN 0.055 nan 8.290 nan 0.000 0.465 163 P HA 0.080 nan 4.420 nan 0.000 0.271 163 P C 0.185 177.527 177.300 0.070 0.000 1.218 163 P CA 0.091 63.233 63.100 0.069 0.000 0.780 163 P CB 0.846 32.566 31.700 0.033 0.000 0.901 164 S N 0.886 116.650 115.700 0.106 0.000 2.562 164 S HA -0.023 4.447 4.470 -0.001 0.000 0.281 164 S C 1.239 175.871 174.600 0.053 0.000 1.333 164 S CA -0.302 57.950 58.200 0.086 0.000 1.052 164 S CB -0.106 63.169 63.200 0.125 0.000 0.884 164 S HN 0.497 nan 8.310 nan 0.000 0.506 165 E N 1.851 122.067 120.200 0.028 0.000 2.371 165 E HA 0.016 4.366 4.350 -0.001 0.000 0.194 165 E C 0.137 176.731 176.600 -0.009 0.000 1.012 165 E CA 0.417 56.822 56.400 0.008 0.000 0.860 165 E CB 0.197 29.899 29.700 0.004 0.000 0.811 165 E HN 0.700 nan 8.360 nan 0.000 0.502 166 S N -0.346 115.348 115.700 -0.010 0.000 2.588 166 S HA 0.304 4.774 4.470 -0.001 0.000 0.269 166 S C -1.120 173.447 174.600 -0.054 0.000 1.157 166 S CA -1.139 57.035 58.200 -0.044 0.000 0.824 166 S CB 1.539 64.720 63.200 -0.031 0.000 1.126 166 S HN -0.139 nan 8.310 nan 0.000 0.464 167 D N 1.712 122.040 120.400 -0.119 0.000 2.389 167 D HA 0.338 4.977 4.640 -0.001 0.000 0.247 167 D C 1.036 177.330 176.300 -0.010 0.000 1.128 167 D CA -0.312 53.618 54.000 -0.116 0.000 0.884 167 D CB 0.564 41.243 40.800 -0.201 0.000 1.194 167 D HN 0.892 nan 8.370 nan 0.000 0.441 168 C N 0.503 119.841 119.300 0.064 0.000 2.758 168 C HA 0.108 4.567 4.460 -0.001 0.000 0.371 168 C C 2.162 177.197 174.990 0.075 0.000 1.342 168 C CA -0.883 58.191 59.018 0.092 0.000 2.257 168 C CB -0.083 27.753 27.740 0.161 0.000 2.621 168 C HN 0.492 nan 8.230 nan 0.000 0.730 169 V N 2.464 122.424 119.914 0.077 0.000 2.343 169 V HA -0.191 3.928 4.120 -0.001 0.000 0.247 169 V C 2.627 178.755 176.094 0.057 0.000 1.051 169 V CA 2.573 64.907 62.300 0.057 0.000 1.036 169 V CB -0.874 30.989 31.823 0.066 0.000 0.654 169 V HN 1.000 nan 8.190 nan 0.000 0.451 170 V N -2.089 117.885 119.914 0.100 0.000 2.407 170 V HA -0.167 3.952 4.120 -0.001 0.000 0.248 170 V C 2.222 178.327 176.094 0.018 0.000 1.055 170 V CA 1.914 64.256 62.300 0.070 0.000 1.049 170 V CB -0.975 30.921 31.823 0.120 0.000 0.662 170 V HN 0.295 nan 8.190 nan 0.000 0.455 171 V N 0.598 120.543 119.914 0.052 0.000 2.295 171 V HA -0.299 3.820 4.120 -0.001 0.000 0.246 171 V C 2.896 178.979 176.094 -0.019 0.000 1.049 171 V CA 2.576 64.891 62.300 0.024 0.000 1.024 171 V CB -0.901 30.975 31.823 0.088 0.000 0.648 171 V HN 0.589 nan 8.190 nan 0.000 0.447 172 Q N -0.553 119.229 119.800 -0.030 0.000 2.061 172 Q HA -0.199 4.141 4.340 -0.001 0.000 0.204 172 Q C 2.330 178.279 176.000 -0.085 0.000 0.984 172 Q CA 2.045 57.809 55.803 -0.065 0.000 0.846 172 Q CB -0.391 28.315 28.738 -0.054 0.000 0.902 172 Q HN 0.562 nan 8.270 nan 0.000 0.421 173 V N 1.096 120.974 119.914 -0.061 0.000 2.307 173 V HA -0.246 3.874 4.120 -0.001 0.000 0.245 173 V C 2.250 178.301 176.094 -0.071 0.000 1.045 173 V CA 1.417 63.675 62.300 -0.070 0.000 1.024 173 V CB -0.571 31.229 31.823 -0.038 0.000 0.651 173 V HN 0.334 nan 8.190 nan 0.000 0.449 174 L N -0.294 120.893 121.223 -0.060 0.000 2.013 174 L HA -0.264 4.075 4.340 -0.001 0.000 0.212 174 L C 2.660 179.497 176.870 -0.054 0.000 1.073 174 L CA 1.909 56.714 54.840 -0.059 0.000 0.753 174 L CB -0.639 41.383 42.059 -0.063 0.000 0.890 174 L HN 0.318 nan 8.230 nan 0.000 0.432 175 K N -0.099 120.265 120.400 -0.059 0.000 2.097 175 K HA -0.129 4.191 4.320 -0.001 0.000 0.205 175 K C 2.062 178.612 176.600 -0.083 0.000 1.050 175 K CA 1.067 57.318 56.287 -0.061 0.000 0.938 175 K CB -0.194 32.268 32.500 -0.063 0.000 0.718 175 K HN 0.274 nan 8.250 nan 0.000 0.442 176 L N 1.026 122.164 121.223 -0.142 0.000 2.201 176 L HA -0.146 4.194 4.340 -0.001 0.000 0.212 176 L C 2.025 178.834 176.870 -0.102 0.000 1.105 176 L CA 0.826 55.530 54.840 -0.227 0.000 0.775 176 L CB -0.148 41.569 42.059 -0.570 0.000 0.913 176 L HN 0.144 nan 8.230 nan 0.000 0.440 177 Q N -0.044 119.727 119.800 -0.047 0.000 2.365 177 Q HA 0.100 4.440 4.340 -0.001 0.000 0.203 177 Q C 1.440 177.458 176.000 0.030 0.000 0.929 177 Q CA 0.754 56.562 55.803 0.007 0.000 0.948 177 Q CB 0.611 29.346 28.738 -0.004 0.000 1.043 177 Q HN 0.560 nan 8.270 nan 0.000 0.505 178 G N 0.459 109.276 108.800 0.029 0.000 2.159 178 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.256 178 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.256 178 G C 0.379 175.278 174.900 -0.001 0.000 0.977 178 G CA 0.209 45.357 45.100 0.081 0.000 0.652 178 G HN 0.579 nan 8.290 nan 0.000 0.531 179 A N -0.617 122.185 122.820 -0.029 0.000 2.332 179 A HA 0.716 5.035 4.320 -0.001 0.000 0.258 179 A C 0.403 177.956 177.584 -0.052 0.000 1.087 179 A CA 0.377 52.382 52.037 -0.054 0.000 0.802 179 A CB 1.214 20.183 19.000 -0.051 0.000 1.042 179 A HN 1.165 nan 8.150 nan 0.000 0.489 180 V N 3.365 123.253 119.914 -0.043 0.000 2.276 180 V HA 0.259 4.379 4.120 -0.001 0.000 0.268 180 V C -2.493 173.664 176.094 0.105 0.000 1.032 180 V CA -1.436 60.855 62.300 -0.014 0.000 0.810 180 V CB 0.764 32.531 31.823 -0.094 0.000 1.060 180 V HN 0.721 nan 8.190 nan 0.000 0.446 181 P HA 0.139 nan 4.420 nan 0.000 0.267 181 P C 0.073 177.408 177.300 0.058 0.000 1.205 181 P CA 0.166 63.297 63.100 0.053 0.000 0.765 181 P CB 0.353 32.059 31.700 0.010 0.000 0.828 182 F N 2.853 122.727 119.950 -0.126 0.000 2.819 182 F HA 0.352 4.878 4.527 -0.001 0.000 0.325 182 F C -0.270 175.460 175.800 -0.116 0.000 1.041 182 F CA -0.327 57.640 58.000 -0.055 0.000 1.184 182 F CB 0.028 39.111 39.000 0.138 0.000 1.019 182 F HN 0.091 nan 8.300 nan 0.000 0.590 183 V N -1.204 118.251 119.914 -0.765 0.000 2.971 183 V HA 0.528 4.647 4.120 -0.001 0.000 0.309 183 V C -1.216 174.625 176.094 -0.420 0.000 1.130 183 V CA -0.989 60.964 62.300 -0.579 0.000 0.964 183 V CB 1.281 32.707 31.823 -0.662 0.000 1.029 183 V HN 0.291 nan 8.190 nan 0.000 0.427 184 H N 1.615 120.488 119.070 -0.328 0.000 2.502 184 H HA 0.676 5.232 4.556 -0.000 0.000 0.327 184 H C 0.237 175.435 175.328 -0.217 0.000 1.099 184 H CA 0.082 55.990 56.048 -0.234 0.000 1.323 184 H CB 1.732 31.382 29.762 -0.186 0.000 1.450 184 H HN 1.027 nan 8.280 nan 0.000 0.502 185 T N 0.772 115.303 114.554 -0.037 0.000 2.918 185 T HA 0.177 4.526 4.350 -0.001 0.000 0.286 185 T C 0.298 174.944 174.700 -0.090 0.000 1.026 185 T CA -1.193 60.858 62.100 -0.081 0.000 1.031 185 T CB 1.586 70.418 68.868 -0.060 0.000 1.046 185 T HN 0.430 nan 8.240 nan 0.000 0.479 186 N N 0.261 118.910 118.700 -0.086 0.000 2.453 186 N HA 0.408 5.147 4.740 -0.001 0.000 0.253 186 N C -0.435 175.073 175.510 -0.003 0.000 1.252 186 N CA -0.156 52.858 53.050 -0.061 0.000 0.917 186 N CB 0.527 39.000 38.487 -0.023 0.000 1.117 186 N HN 0.813 nan 8.380 nan 0.000 0.442 187 V N -0.501 119.431 119.914 0.029 0.000 3.114 187 V HA 0.745 4.864 4.120 -0.001 0.000 0.308 187 V C -2.694 173.450 176.094 0.084 0.000 1.168 187 V CA -2.072 60.261 62.300 0.054 0.000 1.015 187 V CB 1.955 33.806 31.823 0.047 0.000 1.050 187 V HN 0.597 nan 8.190 nan 0.000 0.433 188 P HA 0.119 nan 4.420 nan 0.000 0.272 188 P C -0.494 176.890 177.300 0.139 0.000 1.223 188 P CA -0.021 63.142 63.100 0.105 0.000 0.784 188 P CB 0.553 32.308 31.700 0.091 0.000 0.923 189 Q N 2.000 121.893 119.800 0.154 0.000 2.304 189 Q HA -0.036 4.303 4.340 -0.001 0.000 0.315 189 Q C 0.877 177.014 176.000 0.228 0.000 1.075 189 Q CA 1.553 57.453 55.803 0.163 0.000 0.988 189 Q CB -0.129 28.731 28.738 0.203 0.000 1.146 189 Q HN 0.729 nan 8.270 nan 0.000 0.383 190 S N 3.155 118.931 115.700 0.127 0.000 2.608 190 S HA -0.366 4.104 4.470 -0.001 0.000 0.256 190 S C 0.742 175.513 174.600 0.284 0.000 1.270 190 S CA 1.722 60.040 58.200 0.197 0.000 1.465 190 S CB -1.589 61.876 63.200 0.441 0.000 1.833 190 S HN 1.023 nan 8.310 nan 0.000 0.641 191 M N -2.701 117.044 119.600 0.242 0.000 2.920 191 M HA -0.228 4.252 4.480 -0.001 0.000 0.186 191 M C 0.203 176.674 176.300 0.285 0.000 0.634 191 M CA 1.698 57.125 55.300 0.212 0.000 0.709 191 M CB -2.061 30.628 32.600 0.147 0.000 2.552 191 M HN 0.602 nan 8.290 nan 0.000 0.289 192 F N 2.280 122.362 119.950 0.220 0.000 2.541 192 F HA 0.534 5.060 4.527 -0.001 0.000 0.351 192 F C 0.291 176.194 175.800 0.172 0.000 1.209 192 F CA 0.464 58.564 58.000 0.166 0.000 1.277 192 F CB 0.538 39.595 39.000 0.096 0.000 1.632 192 F HN 0.066 nan 8.300 nan 0.000 0.619 193 S N 3.502 119.147 115.700 -0.091 0.000 2.608 193 S HA 0.151 4.620 4.470 -0.001 0.000 0.285 193 S C -0.708 173.875 174.600 -0.028 0.000 1.108 193 S CA -0.653 57.495 58.200 -0.087 0.000 0.858 193 S CB 0.272 63.477 63.200 0.007 0.000 1.077 193 S HN 0.513 nan 8.310 nan 0.000 0.450 194 Y N 1.685 121.832 120.300 -0.256 0.000 2.658 194 Y HA 0.593 5.143 4.550 0.000 0.000 0.276 194 Y C 0.240 176.018 175.900 -0.202 0.000 1.167 194 Y CA -0.617 57.290 58.100 -0.322 0.000 1.230 194 Y CB -0.097 37.842 38.460 -0.869 0.000 1.144 194 Y HN 0.511 nan 8.280 nan 0.000 0.529 195 D N -0.170 120.091 120.400 -0.232 0.000 2.567 195 D HA 0.338 4.978 4.640 -0.001 0.000 0.275 195 D C -0.691 175.596 176.300 -0.022 0.000 1.195 195 D CA -0.780 53.143 54.000 -0.129 0.000 1.087 195 D CB 1.987 42.690 40.800 -0.161 0.000 1.165 195 D HN 0.157 nan 8.370 nan 0.000 0.609 196 C N 1.212 120.516 119.300 0.006 0.000 3.319 196 C HA 0.540 5.000 4.460 -0.001 0.000 0.200 196 C C -0.837 174.182 174.990 0.047 0.000 1.332 196 C CA -0.249 58.792 59.018 0.039 0.000 1.170 196 C CB -1.508 26.261 27.740 0.049 0.000 1.855 196 C HN 0.368 nan 8.230 nan 0.000 0.593 197 S N 2.509 118.239 115.700 0.051 0.000 2.548 197 S HA 0.881 5.350 4.470 -0.001 0.000 0.286 197 S C -0.896 173.756 174.600 0.085 0.000 1.098 197 S CA -0.335 57.901 58.200 0.061 0.000 0.930 197 S CB 1.325 64.546 63.200 0.036 0.000 1.070 197 S HN 0.890 nan 8.310 nan 0.000 0.480 198 N N 1.829 120.587 118.700 0.097 0.000 2.494 198 N HA 0.563 5.302 4.740 -0.001 0.000 0.270 198 N C -2.864 172.681 175.510 0.057 0.000 1.285 198 N CA -1.552 51.558 53.050 0.099 0.000 0.812 198 N CB 1.272 39.837 38.487 0.130 0.000 1.557 198 N HN 0.193 nan 8.380 nan 0.000 0.487 199 P HA 0.026 nan 4.420 nan 0.000 0.230 199 P C 0.623 177.873 177.300 -0.083 0.000 1.158 199 P CA 0.711 63.802 63.100 -0.015 0.000 0.769 199 P CB 0.298 32.035 31.700 0.062 0.000 0.807 200 L N -2.711 118.429 121.223 -0.138 0.000 2.071 200 L HA 0.043 4.383 4.340 -0.001 0.000 0.201 200 L C 1.721 178.270 176.870 -0.535 0.000 1.076 200 L CA 1.421 56.010 54.840 -0.419 0.000 0.755 200 L CB -0.568 41.106 42.059 -0.642 0.000 0.915 200 L HN -0.089 nan 8.230 nan 0.000 0.445 201 F N -0.724 119.239 119.950 0.022 0.000 2.704 201 F HA 0.387 4.913 4.527 -0.001 0.000 0.304 201 F C 1.428 177.233 175.800 0.008 0.000 1.094 201 F CA 0.301 58.312 58.000 0.019 0.000 1.275 201 F CB 0.394 39.410 39.000 0.027 0.000 1.073 201 F HN 0.182 nan 8.300 nan 0.000 0.586 202 G N 0.881 109.756 108.800 0.125 0.000 2.512 202 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.240 202 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.240 202 G C -0.611 174.337 174.900 0.081 0.000 1.246 202 G CA -0.569 44.573 45.100 0.070 0.000 0.919 202 G HN 0.272 nan 8.290 nan 0.000 0.577 203 Q N 0.224 120.055 119.800 0.051 0.000 2.307 203 Q HA 0.602 4.942 4.340 -0.001 0.000 0.262 203 Q C -0.295 175.728 176.000 0.039 0.000 0.961 203 Q CA -0.299 55.528 55.803 0.040 0.000 0.882 203 Q CB 0.989 29.738 28.738 0.019 0.000 1.264 203 Q HN 0.636 nan 8.270 nan 0.000 0.446 204 T N 4.383 118.962 114.554 0.042 0.000 2.882 204 T HA 0.442 4.791 4.350 -0.001 0.000 0.287 204 T C -0.132 174.592 174.700 0.041 0.000 0.992 204 T CA -0.225 61.898 62.100 0.038 0.000 1.076 204 T CB 0.617 69.509 68.868 0.041 0.000 0.961 204 T HN 0.547 nan 8.240 nan 0.000 0.490 205 M N 2.761 122.385 119.600 0.039 0.000 2.508 205 M HA 0.349 4.829 4.480 -0.001 0.000 0.327 205 M C 0.439 176.784 176.300 0.076 0.000 1.160 205 M CA -0.948 54.380 55.300 0.047 0.000 0.980 205 M CB 1.297 33.914 32.600 0.028 0.000 1.693 205 M HN 0.458 nan 8.290 nan 0.000 0.452 206 N N 3.701 122.463 118.700 0.103 0.000 2.454 206 N HA 0.073 4.812 4.740 -0.001 0.000 0.260 206 N C -1.830 173.774 175.510 0.156 0.000 1.218 206 N CA -0.941 52.206 53.050 0.162 0.000 0.904 206 N CB 1.060 39.654 38.487 0.178 0.000 1.065 206 N HN 0.388 nan 8.380 nan 0.000 0.462 207 P HA -0.063 nan 4.420 nan 0.000 0.226 207 P C 0.727 178.024 177.300 -0.005 0.000 1.153 207 P CA 1.071 64.200 63.100 0.048 0.000 0.777 207 P CB 0.020 31.718 31.700 -0.004 0.000 0.794 208 W N 0.834 122.144 121.300 0.017 0.000 2.523 208 W HA 0.200 4.860 4.660 0.000 0.000 0.278 208 W C 1.050 177.567 176.519 -0.003 0.000 1.236 208 W CA 0.585 57.935 57.345 0.008 0.000 1.306 208 W CB 0.121 29.587 29.460 0.011 0.000 1.101 208 W HN -0.129 nan 8.180 nan 0.000 0.577 209 K N -0.745 119.784 120.400 0.215 0.000 2.606 209 K HA 0.156 4.476 4.320 -0.001 0.000 0.259 209 K C 0.453 177.095 176.600 0.071 0.000 1.001 209 K CA -0.137 56.219 56.287 0.114 0.000 0.881 209 K CB 1.283 33.844 32.500 0.102 0.000 1.288 209 K HN -0.358 nan 8.250 nan 0.000 0.452 210 S N 0.391 116.115 115.700 0.040 0.000 2.419 210 S HA -0.135 4.335 4.470 -0.001 0.000 0.233 210 S C 1.394 176.003 174.600 0.016 0.000 1.016 210 S CA 1.750 59.964 58.200 0.024 0.000 0.974 210 S CB -0.082 63.122 63.200 0.008 0.000 0.786 210 S HN 0.752 nan 8.310 nan 0.000 0.492 211 S N 0.173 115.879 115.700 0.011 0.000 2.562 211 S HA 0.176 4.646 4.470 -0.001 0.000 0.221 211 S C 0.513 175.106 174.600 -0.010 0.000 0.975 211 S CA 0.127 58.325 58.200 -0.004 0.000 0.918 211 S CB 0.086 63.280 63.200 -0.011 0.000 0.772 211 S HN 0.099 nan 8.310 nan 0.000 0.531 212 K N 1.978 122.380 120.400 0.004 0.000 2.118 212 K HA 0.442 4.761 4.320 -0.001 0.000 0.254 212 K C -0.165 176.449 176.600 0.025 0.000 0.961 212 K CA -0.352 55.928 56.287 -0.011 0.000 0.876 212 K CB 1.697 34.186 32.500 -0.018 0.000 1.077 212 K HN 0.168 nan 8.250 nan 0.000 0.440 213 S N 2.391 118.105 115.700 0.024 0.000 2.564 213 S HA 0.130 4.599 4.470 -0.001 0.000 0.278 213 S C -1.432 173.293 174.600 0.208 0.000 1.333 213 S CA -1.175 57.083 58.200 0.097 0.000 1.048 213 S CB 0.438 63.700 63.200 0.104 0.000 0.900 213 S HN 0.333 nan 8.310 nan 0.000 0.505 214 P HA 0.191 nan 4.420 nan 0.000 0.245 214 P C 0.809 178.279 177.300 0.284 0.000 1.212 214 P CA 0.779 64.023 63.100 0.239 0.000 0.774 214 P CB -0.656 31.135 31.700 0.151 0.000 0.999 215 G N -0.828 108.156 108.800 0.306 0.000 2.760 215 G HA2 0.264 4.224 3.960 -0.001 0.000 0.246 215 G HA3 0.264 4.224 3.960 -0.001 0.000 0.246 215 G C -0.300 174.621 174.900 0.036 0.000 1.359 215 G CA -0.568 44.552 45.100 0.032 0.000 0.861 215 G HN 0.633 nan 8.290 nan 0.000 0.541 216 G N -2.718 106.101 108.800 0.031 0.000 2.328 216 G HA2 0.682 4.641 3.960 -0.001 0.000 0.299 216 G HA3 0.682 4.641 3.960 -0.001 0.000 0.299 216 G C 0.486 175.469 174.900 0.138 0.000 1.435 216 G CA 0.858 46.004 45.100 0.076 0.000 0.865 216 G HN 2.195 nan 8.290 nan 0.000 0.601 217 S N -1.572 114.199 115.700 0.119 0.000 2.512 217 S HA 0.190 4.660 4.470 -0.001 0.000 0.216 217 S C 1.269 175.915 174.600 0.077 0.000 1.006 217 S CA 0.916 59.171 58.200 0.092 0.000 0.915 217 S CB 0.478 63.740 63.200 0.103 0.000 0.824 217 S HN 0.796 nan 8.310 nan 0.000 0.497 218 S N 2.214 117.961 115.700 0.079 0.000 3.122 218 S HA 0.335 4.804 4.470 -0.001 0.000 0.249 218 S C 1.487 176.124 174.600 0.061 0.000 1.334 218 S CA 0.045 58.287 58.200 0.071 0.000 1.251 218 S CB -0.256 62.991 63.200 0.078 0.000 1.034 218 S HN 0.682 nan 8.310 nan 0.000 0.478 219 G N 1.952 110.788 108.800 0.059 0.000 2.403 219 G HA2 -0.013 3.947 3.960 -0.001 0.000 0.216 219 G HA3 -0.013 3.947 3.960 -0.001 0.000 0.216 219 G C 1.368 176.302 174.900 0.056 0.000 1.154 219 G CA 0.465 45.603 45.100 0.063 0.000 0.784 219 G HN 0.594 nan 8.290 nan 0.000 0.538 220 G N 0.626 109.448 108.800 0.037 0.000 2.418 220 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.217 220 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.217 220 G C 1.644 176.554 174.900 0.016 0.000 1.158 220 G CA 1.021 46.130 45.100 0.016 0.000 0.771 220 G HN 0.328 nan 8.290 nan 0.000 0.545 221 E N 0.722 120.936 120.200 0.023 0.000 2.077 221 E HA -0.086 4.263 4.350 -0.001 0.000 0.193 221 E C 2.780 179.407 176.600 0.044 0.000 0.989 221 E CA 1.125 57.538 56.400 0.022 0.000 0.800 221 E CB -0.872 28.847 29.700 0.031 0.000 0.746 221 E HN 0.351 nan 8.360 nan 0.000 0.452 222 G N 1.084 109.921 108.800 0.061 0.000 2.421 222 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.216 222 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.216 222 G C 1.752 176.718 174.900 0.110 0.000 1.171 222 G CA 1.383 46.536 45.100 0.089 0.000 0.775 222 G HN 0.397 nan 8.290 nan 0.000 0.543 223 A N 0.277 123.155 122.820 0.097 0.000 1.902 223 A HA 0.086 4.405 4.320 -0.001 0.000 0.217 223 A C 2.358 179.984 177.584 0.071 0.000 1.181 223 A CA 1.689 53.783 52.037 0.095 0.000 0.623 223 A CB -0.448 18.595 19.000 0.072 0.000 0.818 223 A HN 0.414 nan 8.150 nan 0.000 0.443 224 L N -0.103 121.152 121.223 0.053 0.000 2.027 224 L HA -0.044 4.295 4.340 -0.001 0.000 0.206 224 L C 2.246 179.163 176.870 0.079 0.000 1.074 224 L CA 1.723 56.595 54.840 0.054 0.000 0.745 224 L CB -0.436 41.640 42.059 0.029 0.000 0.898 224 L HN 0.427 nan 8.230 nan 0.000 0.433 225 I N -0.648 119.967 120.570 0.076 0.000 2.252 225 I HA -0.180 3.990 4.170 -0.001 0.000 0.245 225 I C 2.414 178.591 176.117 0.099 0.000 1.102 225 I CA 1.213 62.564 61.300 0.084 0.000 1.385 225 I CB -1.025 37.013 38.000 0.063 0.000 1.064 225 I HN 0.409 nan 8.210 nan 0.000 0.414 226 G N -0.094 108.776 108.800 0.117 0.000 2.448 226 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.219 226 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.219 226 G C 1.633 176.575 174.900 0.070 0.000 1.127 226 G CA 0.947 46.139 45.100 0.153 0.000 0.766 226 G HN 0.402 nan 8.290 nan 0.000 0.552 227 S N -0.507 115.216 115.700 0.037 0.000 2.524 227 S HA 0.354 4.823 4.470 -0.001 0.000 0.216 227 S C 1.753 176.353 174.600 -0.000 0.000 0.987 227 S CA 0.766 58.952 58.200 -0.022 0.000 0.909 227 S CB 0.322 63.514 63.200 -0.014 0.000 0.781 227 S HN 1.199 nan 8.310 nan 0.000 0.521 228 G N 0.802 109.636 108.800 0.057 0.000 2.159 228 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.227 228 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.227 228 G C 0.728 175.734 174.900 0.177 0.000 0.986 228 G CA 0.052 45.208 45.100 0.093 0.000 0.651 228 G HN 0.609 nan 8.290 nan 0.000 0.523 229 G N -0.626 108.283 108.800 0.181 0.000 2.712 229 G HA2 0.442 4.402 3.960 -0.001 0.000 0.212 229 G HA3 0.442 4.402 3.960 -0.001 0.000 0.212 229 G C 0.534 175.680 174.900 0.410 0.000 1.142 229 G CA 1.578 46.832 45.100 0.258 0.000 0.789 229 G HN 1.555 nan 8.290 nan 0.000 0.535 230 S N -0.688 115.182 115.700 0.284 0.000 2.533 230 S HA 0.545 5.015 4.470 -0.001 0.000 0.271 230 S C -2.329 172.226 174.600 -0.076 0.000 1.143 230 S CA -0.982 57.266 58.200 0.080 0.000 0.891 230 S CB 2.449 65.757 63.200 0.180 0.000 1.105 230 S HN -0.101 nan 8.310 nan 0.000 0.468 231 P HA 0.256 nan 4.420 nan 0.000 0.235 231 P C -0.234 177.003 177.300 -0.105 0.000 1.177 231 P CA 0.210 63.189 63.100 -0.202 0.000 0.785 231 P CB 0.127 31.621 31.700 -0.343 0.000 0.885 232 L N -0.903 120.259 121.223 -0.102 0.000 2.565 232 L HA 0.767 5.107 4.340 -0.001 0.000 0.261 232 L C -1.020 175.813 176.870 -0.062 0.000 0.932 232 L CA -0.566 54.229 54.840 -0.075 0.000 0.878 232 L CB 1.832 43.835 42.059 -0.093 0.000 1.333 232 L HN -0.012 nan 8.230 nan 0.000 0.409 233 G N 3.718 112.481 108.800 -0.062 0.000 2.680 233 G HA2 0.701 4.661 3.960 -0.001 0.000 0.290 233 G HA3 0.701 4.661 3.960 -0.001 0.000 0.290 233 G C -2.032 172.805 174.900 -0.105 0.000 1.355 233 G CA -0.742 44.309 45.100 -0.082 0.000 0.903 233 G HN 0.612 nan 8.290 nan 0.000 0.474 234 L N 0.470 121.591 121.223 -0.170 0.000 2.362 234 L HA 0.739 5.079 4.340 -0.001 0.000 0.275 234 L C 0.615 177.519 176.870 0.056 0.000 0.998 234 L CA -0.683 54.031 54.840 -0.209 0.000 0.820 234 L CB 2.074 43.697 42.059 -0.726 0.000 1.270 234 L HN 0.776 nan 8.230 nan 0.000 0.415 235 G N 0.686 109.613 108.800 0.212 0.000 3.042 235 G HA2 0.788 4.748 3.960 -0.001 0.000 0.278 235 G HA3 0.788 4.748 3.960 -0.001 0.000 0.278 235 G C -0.907 174.175 174.900 0.304 0.000 1.371 235 G CA -0.309 44.965 45.100 0.289 0.000 1.009 235 G HN 0.508 nan 8.290 nan 0.000 0.523 236 T N -2.341 112.306 114.554 0.155 0.000 2.865 236 T HA 0.691 5.041 4.350 -0.001 0.000 0.294 236 T C -1.932 172.803 174.700 0.058 0.000 1.119 236 T CA -0.758 61.390 62.100 0.079 0.000 1.007 236 T CB 2.720 71.573 68.868 -0.026 0.000 1.225 236 T HN 0.520 nan 8.240 nan 0.000 0.515 237 D N 0.260 120.686 120.400 0.044 0.000 2.861 237 D HA 0.338 4.978 4.640 -0.001 0.000 0.216 237 D C -0.405 175.915 176.300 0.034 0.000 1.323 237 D CA -0.500 53.520 54.000 0.034 0.000 0.917 237 D CB 2.117 42.923 40.800 0.011 0.000 1.582 237 D HN 0.635 nan 8.370 nan 0.000 0.576 238 I N 1.675 122.277 120.570 0.055 0.000 4.471 238 I HA 0.291 4.460 4.170 -0.001 0.000 0.326 238 I C 1.109 177.261 176.117 0.058 0.000 1.300 238 I CA 0.196 61.531 61.300 0.058 0.000 1.237 238 I CB 0.910 38.962 38.000 0.086 0.000 1.195 238 I HN 0.480 nan 8.210 nan 0.000 0.427 239 G N -0.589 108.246 108.800 0.058 0.000 4.399 239 G HA2 0.390 4.350 3.960 -0.001 0.000 0.268 239 G HA3 0.390 4.350 3.960 -0.001 0.000 0.268 239 G C 0.714 175.613 174.900 -0.002 0.000 1.038 239 G CA 0.482 45.605 45.100 0.038 0.000 0.811 239 G HN 0.387 nan 8.290 nan 0.000 0.408 240 G N -0.118 108.628 108.800 -0.090 0.000 2.559 240 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.202 240 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.202 240 G C 1.134 175.878 174.900 -0.261 0.000 0.992 240 G CA 0.589 45.407 45.100 -0.471 0.000 0.764 240 G HN 0.314 nan 8.290 nan 0.000 0.525 241 S N -0.004 115.718 115.700 0.038 0.000 2.500 241 S HA 0.077 4.547 4.470 -0.001 0.000 0.239 241 S C 2.085 176.715 174.600 0.050 0.000 0.989 241 S CA 1.165 59.434 58.200 0.116 0.000 0.951 241 S CB -0.074 63.194 63.200 0.113 0.000 0.759 241 S HN 0.530 nan 8.310 nan 0.000 0.523 242 I N 0.237 120.801 120.570 -0.010 0.000 2.867 242 I HA 0.026 4.195 4.170 -0.001 0.000 0.265 242 I C 2.416 178.492 176.117 -0.068 0.000 1.162 242 I CA 0.577 61.869 61.300 -0.012 0.000 1.471 242 I CB 0.057 38.057 38.000 -0.000 0.000 1.123 242 I HN 0.106 nan 8.210 nan 0.000 0.440 243 R N -0.180 120.215 120.500 -0.174 0.000 2.080 243 R HA 0.017 4.357 4.340 -0.001 0.000 0.222 243 R C 2.183 178.317 176.300 -0.276 0.000 1.107 243 R CA 1.088 57.044 56.100 -0.240 0.000 0.980 243 R CB -0.278 29.834 30.300 -0.312 0.000 0.879 243 R HN 0.110 nan 8.270 nan 0.000 0.439 244 F N 1.550 121.349 119.950 -0.253 0.000 2.046 244 F HA -0.123 4.404 4.527 -0.001 0.000 0.297 244 F C -0.579 174.846 175.800 -0.625 0.000 1.123 244 F CA 1.074 58.727 58.000 -0.579 0.000 1.199 244 F CB -1.698 36.939 39.000 -0.606 0.000 0.972 244 F HN 0.032 nan 8.300 nan 0.000 0.474 245 P HA -0.087 nan 4.420 nan 0.000 0.218 245 P C 1.587 178.902 177.300 0.026 0.000 1.149 245 P CA 1.674 64.752 63.100 -0.038 0.000 0.817 245 P CB -0.085 31.631 31.700 0.027 0.000 0.785 246 S N 0.319 116.019 115.700 -0.000 0.000 2.356 246 S HA -0.082 4.388 4.470 -0.001 0.000 0.223 246 S C 2.228 176.859 174.600 0.050 0.000 1.032 246 S CA 1.436 59.651 58.200 0.026 0.000 1.005 246 S CB -1.000 62.198 63.200 -0.003 0.000 0.867 246 S HN 0.192 nan 8.310 nan 0.000 0.449 247 A N 1.295 124.139 122.820 0.041 0.000 1.873 247 A HA -0.013 4.307 4.320 -0.001 0.000 0.215 247 A C 1.812 179.545 177.584 0.248 0.000 1.186 247 A CA 1.303 53.413 52.037 0.122 0.000 0.616 247 A CB -0.789 18.307 19.000 0.160 0.000 0.823 247 A HN 0.448 nan 8.150 nan 0.000 0.442 248 F N -0.406 119.560 119.950 0.027 0.000 2.234 248 F HA -0.091 4.436 4.527 -0.001 0.000 0.299 248 F C 2.304 178.066 175.800 -0.062 0.000 1.087 248 F CA -0.002 57.992 58.000 -0.011 0.000 1.340 248 F CB -1.223 37.812 39.000 0.059 0.000 1.031 248 F HN 0.231 nan 8.300 nan 0.000 0.500 249 C N -0.639 118.793 119.300 0.221 0.000 2.791 249 C HA 0.522 4.981 4.460 -0.001 0.000 0.270 249 C C 1.676 176.829 174.990 0.271 0.000 1.257 249 C CA 0.244 59.415 59.018 0.256 0.000 1.699 249 C CB -0.891 27.014 27.740 0.275 0.000 1.904 249 C HN 0.696 nan 8.230 nan 0.000 0.603 250 G N 2.167 111.021 108.800 0.089 0.000 2.256 250 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.272 250 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.272 250 G C -0.229 174.763 174.900 0.152 0.000 1.076 250 G CA 0.632 45.782 45.100 0.082 0.000 0.882 250 G HN 0.773 nan 8.290 nan 0.000 0.497 251 I N -3.884 116.753 120.570 0.112 0.000 3.294 251 I HA 0.857 5.027 4.170 -0.001 0.000 0.311 251 I C 0.323 176.469 176.117 0.048 0.000 1.111 251 I CA -1.711 59.642 61.300 0.090 0.000 0.976 251 I CB 1.788 39.846 38.000 0.096 0.000 1.260 251 I HN 0.051 nan 8.210 nan 0.000 0.474 252 C N 1.482 120.803 119.300 0.035 0.000 2.358 252 C HA 0.933 5.393 4.460 -0.001 0.000 0.342 252 C C 0.526 175.521 174.990 0.008 0.000 1.234 252 C CA -0.087 58.939 59.018 0.013 0.000 1.969 252 C CB 0.193 27.941 27.740 0.012 0.000 2.346 252 C HN 1.002 nan 8.230 nan 0.000 0.525 253 G N 1.395 110.192 108.800 -0.005 0.000 2.690 253 G HA2 0.658 4.618 3.960 -0.001 0.000 0.293 253 G HA3 0.658 4.618 3.960 -0.001 0.000 0.293 253 G C -2.133 172.761 174.900 -0.010 0.000 1.399 253 G CA -0.355 44.742 45.100 -0.006 0.000 0.890 253 G HN 0.644 nan 8.290 nan 0.000 0.485 254 L N 0.351 121.573 121.223 -0.001 0.000 2.409 254 L HA 0.674 5.014 4.340 -0.001 0.000 0.272 254 L C -0.297 176.580 176.870 0.012 0.000 0.980 254 L CA -0.890 53.953 54.840 0.006 0.000 0.826 254 L CB 1.975 44.045 42.059 0.018 0.000 1.268 254 L HN 0.467 nan 8.230 nan 0.000 0.407 255 K N 6.804 127.208 120.400 0.007 0.000 2.266 255 K HA 0.498 4.817 4.320 -0.001 0.000 0.274 255 K C -2.500 174.109 176.600 0.014 0.000 1.090 255 K CA -1.690 54.605 56.287 0.013 0.000 0.925 255 K CB 0.940 33.442 32.500 0.004 0.000 1.225 255 K HN 0.391 nan 8.250 nan 0.000 0.458 256 P HA 0.015 nan 4.420 nan 0.000 0.274 256 P C -0.707 176.560 177.300 -0.057 0.000 1.260 256 P CA -0.292 62.808 63.100 0.000 0.000 0.793 256 P CB 0.385 32.106 31.700 0.034 0.000 1.048 257 T N 0.656 115.116 114.554 -0.156 0.000 2.933 257 T HA 0.032 4.381 4.350 -0.001 0.000 0.306 257 T C 1.894 176.457 174.700 -0.228 0.000 1.045 257 T CA 0.873 62.777 62.100 -0.326 0.000 1.143 257 T CB -0.012 68.373 68.868 -0.805 0.000 1.003 257 T HN 0.593 nan 8.240 nan 0.000 0.540 258 G N 2.177 110.869 108.800 -0.180 0.000 2.469 258 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.220 258 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.220 258 G C 1.296 176.189 174.900 -0.012 0.000 1.136 258 G CA 0.500 45.559 45.100 -0.067 0.000 0.759 258 G HN 0.658 nan 8.290 nan 0.000 0.562 259 N N -0.613 118.077 118.700 -0.017 0.000 2.279 259 N HA 0.122 4.862 4.740 -0.001 0.000 0.226 259 N C 1.701 177.399 175.510 0.312 0.000 1.126 259 N CA -0.231 52.918 53.050 0.165 0.000 0.846 259 N CB 0.088 38.729 38.487 0.258 0.000 1.050 259 N HN 0.148 nan 8.380 nan 0.000 0.502 260 R N -0.369 120.258 120.500 0.211 0.000 2.115 260 R HA 0.236 4.576 4.340 -0.001 0.000 0.226 260 R C -0.118 176.357 176.300 0.291 0.000 1.100 260 R CA 1.158 57.469 56.100 0.352 0.000 0.980 260 R CB 0.108 30.542 30.300 0.223 0.000 0.875 260 R HN 0.186 nan 8.270 nan 0.000 0.445 261 L N -0.658 120.689 121.223 0.207 0.000 2.341 261 L HA 0.392 4.732 4.340 -0.001 0.000 0.267 261 L C -0.302 176.671 176.870 0.170 0.000 1.009 261 L CA -1.114 53.840 54.840 0.190 0.000 0.819 261 L CB 1.923 44.073 42.059 0.151 0.000 1.323 261 L HN -0.114 nan 8.230 nan 0.000 0.425 262 S N 0.422 116.220 115.700 0.163 0.000 2.510 262 S HA 0.137 4.607 4.470 -0.001 0.000 0.279 262 S C 0.581 175.259 174.600 0.131 0.000 1.284 262 S CA -0.247 58.038 58.200 0.143 0.000 1.059 262 S CB 0.334 63.612 63.200 0.130 0.000 0.901 262 S HN 0.593 nan 8.310 nan 0.000 0.491 263 K N 2.819 123.281 120.400 0.105 0.000 2.410 263 K HA 0.111 4.431 4.320 -0.001 0.000 0.200 263 K C 0.331 176.970 176.600 0.065 0.000 1.023 263 K CA -0.106 56.227 56.287 0.077 0.000 1.149 263 K CB 0.352 32.884 32.500 0.054 0.000 0.859 263 K HN 0.466 nan 8.250 nan 0.000 0.514 264 S N 0.425 116.171 115.700 0.077 0.000 2.481 264 S HA 0.253 4.723 4.470 -0.001 0.000 0.282 264 S C 1.133 175.770 174.600 0.062 0.000 1.243 264 S CA 0.793 59.031 58.200 0.063 0.000 1.078 264 S CB 0.198 63.437 63.200 0.065 0.000 0.916 264 S HN 0.667 nan 8.310 nan 0.000 0.495 265 G N 3.626 112.453 108.800 0.045 0.000 2.175 265 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.244 265 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.244 265 G C -0.154 174.770 174.900 0.040 0.000 0.982 265 G CA -0.014 45.112 45.100 0.044 0.000 0.641 265 G HN 0.671 nan 8.290 nan 0.000 0.527 266 L N 0.822 122.053 121.223 0.014 0.000 2.456 266 L HA 0.498 4.837 4.340 -0.001 0.000 0.272 266 L C 0.832 177.685 176.870 -0.027 0.000 1.189 266 L CA -0.250 54.556 54.840 -0.057 0.000 0.846 266 L CB 0.793 42.768 42.059 -0.140 0.000 1.111 266 L HN 0.034 nan 8.230 nan 0.000 0.475 267 K N 1.805 122.178 120.400 -0.044 0.000 2.258 267 K HA 0.579 4.899 4.320 -0.001 0.000 0.284 267 K C -0.013 176.600 176.600 0.021 0.000 1.051 267 K CA 0.021 56.313 56.287 0.008 0.000 0.923 267 K CB 0.960 33.462 32.500 0.003 0.000 1.046 267 K HN 0.768 nan 8.250 nan 0.000 0.474 268 G N 0.722 109.592 108.800 0.115 0.000 3.140 268 G HA2 0.421 4.380 3.960 -0.001 0.000 0.271 268 G HA3 0.421 4.380 3.960 -0.001 0.000 0.271 268 G C 0.003 174.986 174.900 0.139 0.000 1.370 268 G CA -0.251 44.920 45.100 0.119 0.000 1.014 268 G HN 0.689 nan 8.290 nan 0.000 0.541 269 C N -1.869 117.401 119.300 -0.050 0.000 3.911 269 C HA 0.639 5.098 4.460 -0.001 0.000 0.318 269 C C -0.155 174.435 174.990 -0.667 0.000 1.643 269 C CA -0.511 58.368 59.018 -0.231 0.000 1.845 269 C CB -0.538 27.171 27.740 -0.052 0.000 2.981 269 C HN 0.395 nan 8.230 nan 0.000 0.656 270 V N 1.701 121.202 119.914 -0.689 0.000 2.656 270 V HA 0.578 4.698 4.120 -0.001 0.000 0.307 270 V C -1.541 174.186 176.094 -0.612 0.000 1.051 270 V CA -0.200 61.699 62.300 -0.669 0.000 0.893 270 V CB 1.727 33.377 31.823 -0.289 0.000 0.999 270 V HN 0.312 nan 8.190 nan 0.000 0.426 271 Y N 1.648 121.953 120.300 0.009 0.000 2.331 271 Y HA 0.689 5.238 4.550 -0.000 0.000 0.334 271 Y C 0.963 176.866 175.900 0.004 0.000 0.960 271 Y CA -0.694 57.410 58.100 0.006 0.000 1.130 271 Y CB 1.757 40.224 38.460 0.012 0.000 1.164 271 Y HN 0.879 nan 8.280 nan 0.000 0.458 272 G N 1.706 110.586 108.800 0.135 0.000 2.175 272 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.244 272 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.244 272 G C 0.030 174.953 174.900 0.039 0.000 0.982 272 G CA -0.355 44.795 45.100 0.084 0.000 0.641 272 G HN 0.515 nan 8.290 nan 0.000 0.527 273 Q N 1.495 121.294 119.800 -0.001 0.000 2.344 273 Q HA 0.466 4.806 4.340 -0.001 0.000 0.253 273 Q C 1.283 177.266 176.000 -0.028 0.000 1.050 273 Q CA 0.894 56.672 55.803 -0.041 0.000 0.912 273 Q CB 0.693 29.361 28.738 -0.116 0.000 1.258 273 Q HN 0.592 nan 8.270 nan 0.000 0.443 274 T N -0.261 114.288 114.554 -0.008 0.000 3.040 274 T HA 0.304 4.654 4.350 -0.001 0.000 0.266 274 T C 1.331 176.027 174.700 -0.006 0.000 1.005 274 T CA 0.386 62.488 62.100 0.003 0.000 0.906 274 T CB 0.452 69.336 68.868 0.026 0.000 1.082 274 T HN 0.374 nan 8.240 nan 0.000 0.531 275 A N 1.541 124.348 122.820 -0.022 0.000 1.873 275 A HA 0.347 4.667 4.320 -0.001 0.000 0.215 275 A C 1.095 178.651 177.584 -0.047 0.000 1.186 275 A CA 0.941 52.961 52.037 -0.028 0.000 0.616 275 A CB -0.373 18.603 19.000 -0.041 0.000 0.823 275 A HN 0.465 nan 8.150 nan 0.000 0.442 276 V N 1.932 121.805 119.914 -0.068 0.000 2.305 276 V HA 0.233 4.352 4.120 -0.001 0.000 0.275 276 V C -0.665 175.395 176.094 -0.056 0.000 1.020 276 V CA -0.801 61.457 62.300 -0.069 0.000 0.811 276 V CB 1.071 32.837 31.823 -0.095 0.000 1.031 276 V HN 0.445 nan 8.190 nan 0.000 0.439 277 Q N 2.781 122.561 119.800 -0.034 0.000 2.312 277 Q HA 0.405 4.745 4.340 -0.001 0.000 0.236 277 Q C -0.376 175.615 176.000 -0.014 0.000 0.965 277 Q CA -0.502 55.289 55.803 -0.020 0.000 0.894 277 Q CB 2.338 31.073 28.738 -0.006 0.000 1.225 277 Q HN 0.501 nan 8.270 nan 0.000 0.478 278 L N 0.861 122.080 121.223 -0.006 0.000 2.375 278 L HA 0.344 4.684 4.340 -0.001 0.000 0.271 278 L C -0.347 176.530 176.870 0.011 0.000 1.107 278 L CA 0.442 55.284 54.840 0.003 0.000 0.806 278 L CB 1.489 43.548 42.059 0.000 0.000 1.146 278 L HN 0.563 nan 8.230 nan 0.000 0.447 279 S N 3.811 119.522 115.700 0.018 0.000 2.542 279 S HA 0.740 5.209 4.470 -0.001 0.000 0.293 279 S C -0.763 173.872 174.600 0.057 0.000 1.089 279 S CA -0.720 57.498 58.200 0.030 0.000 0.961 279 S CB 1.568 64.778 63.200 0.016 0.000 1.062 279 S HN 0.536 nan 8.310 nan 0.000 0.483 280 L N 1.885 123.163 121.223 0.092 0.000 2.333 280 L HA 1.137 5.477 4.340 -0.001 0.000 0.269 280 L C 0.084 177.037 176.870 0.138 0.000 1.010 280 L CA -0.300 54.638 54.840 0.162 0.000 0.818 280 L CB 1.378 43.603 42.059 0.276 0.000 1.306 280 L HN 0.771 nan 8.230 nan 0.000 0.430 281 G N 0.263 109.147 108.800 0.140 0.000 2.506 281 G HA2 0.599 4.558 3.960 -0.001 0.000 0.292 281 G HA3 0.599 4.558 3.960 -0.001 0.000 0.292 281 G C -3.372 171.554 174.900 0.044 0.000 1.425 281 G CA -0.836 44.310 45.100 0.076 0.000 0.788 281 G HN 0.621 nan 8.290 nan 0.000 0.490 282 P HA 0.528 nan 4.420 nan 0.000 0.277 282 P C -0.819 176.476 177.300 -0.009 0.000 1.240 282 P CA -0.241 62.846 63.100 -0.022 0.000 0.798 282 P CB 1.349 33.023 31.700 -0.043 0.000 0.979 283 M N 1.254 120.845 119.600 -0.014 0.000 2.457 283 M HA 0.730 5.210 4.480 -0.001 0.000 0.300 283 M C -0.488 175.809 176.300 -0.006 0.000 1.141 283 M CA -0.402 54.897 55.300 -0.001 0.000 0.901 283 M CB 2.772 35.380 32.600 0.013 0.000 1.687 283 M HN 0.488 nan 8.290 nan 0.000 0.449 284 A N 1.488 124.312 122.820 0.007 0.000 2.493 284 A HA 0.627 4.946 4.320 -0.001 0.000 0.300 284 A C -0.357 177.245 177.584 0.030 0.000 1.152 284 A CA -0.751 51.291 52.037 0.008 0.000 0.643 284 A CB 1.245 20.238 19.000 -0.011 0.000 1.316 284 A HN 0.888 nan 8.150 nan 0.000 0.469 285 R N -0.278 120.244 120.500 0.037 0.000 2.240 285 R HA 0.108 4.447 4.340 -0.001 0.000 0.203 285 R C -0.661 175.668 176.300 0.049 0.000 1.011 285 R CA 1.442 57.575 56.100 0.055 0.000 1.007 285 R CB -0.030 30.308 30.300 0.065 0.000 0.911 285 R HN 0.828 nan 8.270 nan 0.000 0.468 286 D N -3.032 117.390 120.400 0.037 0.000 2.596 286 D HA 0.083 4.723 4.640 -0.001 0.000 0.262 286 D C 0.614 176.935 176.300 0.035 0.000 1.210 286 D CA -0.765 53.258 54.000 0.038 0.000 0.873 286 D CB 0.952 41.779 40.800 0.044 0.000 1.408 286 D HN -0.339 nan 8.370 nan 0.000 0.441 287 V N -0.160 119.783 119.914 0.049 0.000 2.427 287 V HA -0.146 3.974 4.120 -0.001 0.000 0.248 287 V C 2.236 178.377 176.094 0.078 0.000 1.051 287 V CA 2.001 64.341 62.300 0.066 0.000 1.048 287 V CB -0.785 31.097 31.823 0.098 0.000 0.666 287 V HN 0.707 nan 8.190 nan 0.000 0.456 288 E N 0.769 121.036 120.200 0.111 0.000 2.118 288 E HA -0.190 4.160 4.350 -0.001 0.000 0.195 288 E C 2.320 178.919 176.600 -0.001 0.000 0.992 288 E CA 1.746 58.214 56.400 0.113 0.000 0.804 288 E CB -0.331 29.443 29.700 0.123 0.000 0.741 288 E HN 0.575 nan 8.360 nan 0.000 0.458 289 S N -0.155 115.541 115.700 -0.007 0.000 2.382 289 S HA -0.100 4.370 4.470 -0.001 0.000 0.228 289 S C 1.864 176.414 174.600 -0.083 0.000 1.027 289 S CA 1.082 59.257 58.200 -0.042 0.000 0.991 289 S CB -0.255 62.931 63.200 -0.024 0.000 0.823 289 S HN 0.276 nan 8.310 nan 0.000 0.469 290 L N 1.102 122.281 121.223 -0.073 0.000 2.056 290 L HA -0.099 4.241 4.340 -0.001 0.000 0.207 290 L C 2.841 179.601 176.870 -0.183 0.000 1.078 290 L CA 1.231 56.016 54.840 -0.092 0.000 0.749 290 L CB -0.859 41.173 42.059 -0.046 0.000 0.901 290 L HN 0.316 nan 8.230 nan 0.000 0.433 291 A N 0.171 122.829 122.820 -0.271 0.000 1.902 291 A HA -0.187 4.132 4.320 -0.001 0.000 0.217 291 A C 2.339 179.541 177.584 -0.637 0.000 1.181 291 A CA 1.351 53.056 52.037 -0.553 0.000 0.623 291 A CB -0.715 17.738 19.000 -0.913 0.000 0.818 291 A HN 0.375 nan 8.150 nan 0.000 0.443 292 L N -0.554 120.450 121.223 -0.365 0.000 2.012 292 L HA -0.239 4.101 4.340 -0.001 0.000 0.210 292 L C 2.737 179.440 176.870 -0.277 0.000 1.073 292 L CA 2.157 56.824 54.840 -0.288 0.000 0.748 292 L CB -0.539 41.431 42.059 -0.148 0.000 0.891 292 L HN 0.622 nan 8.230 nan 0.000 0.431 293 C N 0.088 119.255 119.300 -0.221 0.000 2.413 293 C HA -0.214 4.246 4.460 -0.001 0.000 0.277 293 C C 2.788 177.661 174.990 -0.195 0.000 1.228 293 C CA 0.908 59.823 59.018 -0.172 0.000 1.731 293 C CB -0.988 26.675 27.740 -0.128 0.000 2.042 293 C HN 0.548 nan 8.230 nan 0.000 0.468 294 L N 0.560 121.635 121.223 -0.247 0.000 2.042 294 L HA -0.182 4.157 4.340 -0.001 0.000 0.210 294 L C 2.747 179.455 176.870 -0.270 0.000 1.076 294 L CA 2.233 56.958 54.840 -0.193 0.000 0.749 294 L CB -0.719 41.279 42.059 -0.101 0.000 0.893 294 L HN 0.474 nan 8.230 nan 0.000 0.432 295 K N -0.142 119.876 120.400 -0.636 0.000 2.103 295 K HA -0.204 4.116 4.320 -0.001 0.000 0.207 295 K C 1.968 178.451 176.600 -0.196 0.000 1.048 295 K CA 1.458 57.443 56.287 -0.503 0.000 0.930 295 K CB -0.054 32.053 32.500 -0.656 0.000 0.716 295 K HN 0.322 nan 8.250 nan 0.000 0.444 296 A N 0.824 123.533 122.820 -0.185 0.000 1.929 296 A HA -0.032 4.288 4.320 -0.001 0.000 0.216 296 A C 2.057 179.586 177.584 -0.091 0.000 1.176 296 A CA 0.948 52.920 52.037 -0.107 0.000 0.628 296 A CB -0.422 18.521 19.000 -0.096 0.000 0.816 296 A HN 0.302 nan 8.150 nan 0.000 0.444 297 L N -0.685 120.480 121.223 -0.097 0.000 2.109 297 L HA -0.001 4.339 4.340 -0.001 0.000 0.207 297 L C 0.767 177.555 176.870 -0.138 0.000 1.086 297 L CA 0.493 55.281 54.840 -0.086 0.000 0.760 297 L CB -0.323 41.708 42.059 -0.048 0.000 0.910 297 L HN 0.265 nan 8.230 nan 0.000 0.437 298 L N 1.393 122.562 121.223 -0.090 0.000 2.533 298 L HA 0.066 4.405 4.340 -0.001 0.000 0.239 298 L C 0.120 176.820 176.870 -0.284 0.000 1.376 298 L CA -0.649 54.133 54.840 -0.098 0.000 1.240 298 L CB -0.711 41.483 42.059 0.225 0.000 1.487 298 L HN 0.410 nan 8.230 nan 0.000 0.419 299 C N -2.861 116.096 119.300 -0.571 0.000 2.771 299 C HA 0.461 4.920 4.460 -0.001 0.000 0.333 299 C C 1.690 176.326 174.990 -0.590 0.000 1.267 299 C CA -0.840 57.940 59.018 -0.396 0.000 1.721 299 C CB 1.915 29.543 27.740 -0.187 0.000 2.222 299 C HN 0.583 nan 8.230 nan 0.000 0.485 300 E N 0.111 120.142 120.200 -0.282 0.000 2.118 300 E HA -0.194 4.156 4.350 -0.001 0.000 0.195 300 E C 1.838 178.337 176.600 -0.169 0.000 0.992 300 E CA 2.062 58.370 56.400 -0.154 0.000 0.804 300 E CB -0.408 29.216 29.700 -0.126 0.000 0.741 300 E HN 0.786 nan 8.360 nan 0.000 0.458 301 H N -0.243 118.754 119.070 -0.123 0.000 2.319 301 H HA -0.166 4.390 4.556 -0.001 0.000 0.297 301 H C 2.219 177.484 175.328 -0.106 0.000 1.097 301 H CA 1.663 57.657 56.048 -0.089 0.000 1.285 301 H CB -0.740 28.971 29.762 -0.085 0.000 1.368 301 H HN 0.253 nan 8.280 nan 0.000 0.495 302 L N 0.533 121.699 121.223 -0.095 0.000 1.989 302 L HA -0.173 4.167 4.340 -0.001 0.000 0.211 302 L C 2.101 178.969 176.870 -0.003 0.000 1.071 302 L CA 1.567 56.330 54.840 -0.128 0.000 0.749 302 L CB -0.749 41.126 42.059 -0.307 0.000 0.890 302 L HN -0.034 nan 8.230 nan 0.000 0.431 303 F N -0.179 119.804 119.950 0.055 0.000 2.293 303 F HA -0.096 4.431 4.527 -0.000 0.000 0.300 303 F C 2.648 178.466 175.800 0.031 0.000 1.086 303 F CA 1.264 59.287 58.000 0.037 0.000 1.375 303 F CB -2.033 36.978 39.000 0.019 0.000 1.045 303 F HN 0.341 nan 8.300 nan 0.000 0.516 304 T N -2.374 112.286 114.554 0.176 0.000 2.978 304 T HA -0.007 4.342 4.350 -0.001 0.000 0.262 304 T C 2.055 176.812 174.700 0.095 0.000 1.063 304 T CA 0.645 62.814 62.100 0.116 0.000 1.140 304 T CB -0.726 68.193 68.868 0.085 0.000 0.886 304 T HN 0.273 nan 8.240 nan 0.000 0.470 305 L N 0.755 122.032 121.223 0.090 0.000 2.156 305 L HA 0.154 4.494 4.340 -0.001 0.000 0.208 305 L C 0.853 177.769 176.870 0.076 0.000 1.095 305 L CA 1.032 55.914 54.840 0.070 0.000 0.770 305 L CB -0.031 42.061 42.059 0.055 0.000 0.914 305 L HN 0.278 nan 8.230 nan 0.000 0.439 306 D N -1.361 119.102 120.400 0.104 0.000 2.378 306 D HA 0.190 4.830 4.640 -0.001 0.000 0.265 306 D C -1.936 174.441 176.300 0.128 0.000 1.229 306 D CA -1.949 52.116 54.000 0.108 0.000 0.914 306 D CB 1.206 42.075 40.800 0.114 0.000 1.140 306 D HN -0.178 nan 8.370 nan 0.000 0.516 307 P HA -0.114 nan 4.420 nan 0.000 0.222 307 P C 1.282 178.617 177.300 0.059 0.000 1.142 307 P CA 1.155 64.300 63.100 0.076 0.000 0.788 307 P CB 0.105 31.835 31.700 0.051 0.000 0.767 308 T N -4.618 109.977 114.554 0.069 0.000 3.085 308 T HA 0.043 4.393 4.350 -0.001 0.000 0.263 308 T C 0.688 175.435 174.700 0.077 0.000 1.127 308 T CA 0.120 62.257 62.100 0.061 0.000 1.103 308 T CB -0.791 68.116 68.868 0.064 0.000 0.921 308 T HN -0.185 nan 8.240 nan 0.000 0.510 309 V N 4.709 124.688 119.914 0.109 0.000 2.461 309 V HA 0.331 4.451 4.120 -0.001 0.000 0.275 309 V C -2.063 174.037 176.094 0.010 0.000 1.047 309 V CA -2.282 60.100 62.300 0.136 0.000 0.955 309 V CB 0.889 32.862 31.823 0.251 0.000 0.988 309 V HN 0.326 nan 8.190 nan 0.000 0.471 310 P HA 0.125 nan 4.420 nan 0.000 0.263 310 P C -2.477 174.509 177.300 -0.524 0.000 1.195 310 P CA -1.408 61.528 63.100 -0.274 0.000 0.762 310 P CB 0.037 31.503 31.700 -0.391 0.000 0.799 311 P HA 0.143 nan 4.420 nan 0.000 0.235 311 P C -0.436 176.308 177.300 -0.926 0.000 1.765 311 P CA 0.170 62.387 63.100 -1.473 0.000 1.034 311 P CB -0.177 31.040 31.700 -0.806 0.000 1.984 312 L N 4.535 125.372 121.223 -0.644 0.000 2.270 312 L HA 0.346 4.686 4.340 -0.001 0.000 0.286 312 L C -1.638 175.309 176.870 0.129 0.000 1.059 312 L CA -2.158 52.575 54.840 -0.177 0.000 0.839 312 L CB 0.947 42.953 42.059 -0.089 0.000 1.221 312 L HN 0.065 nan 8.230 nan 0.000 0.431 313 P HA -0.029 nan 4.420 nan 0.000 0.272 313 P C -0.530 176.913 177.300 0.240 0.000 1.240 313 P CA -0.426 62.848 63.100 0.289 0.000 0.791 313 P CB 0.723 32.545 31.700 0.204 0.000 0.978 314 F N 2.342 122.363 119.950 0.118 0.000 2.541 314 F HA 0.089 4.616 4.527 -0.000 0.000 0.378 314 F C 1.090 176.933 175.800 0.073 0.000 1.068 314 F CA -0.062 57.986 58.000 0.080 0.000 1.199 314 F CB 0.359 39.386 39.000 0.044 0.000 1.091 314 F HN 0.098 nan 8.300 nan 0.000 0.555 315 R N 5.553 125.821 120.500 -0.387 0.000 2.408 315 R HA 0.029 4.369 4.340 -0.001 0.000 0.308 315 R C 0.869 177.022 176.300 -0.245 0.000 1.210 315 R CA -0.224 55.745 56.100 -0.217 0.000 1.115 315 R CB 0.614 30.816 30.300 -0.164 0.000 1.127 315 R HN 0.734 nan 8.270 nan 0.000 0.523 316 E N 2.748 122.965 120.200 0.028 0.000 2.118 316 E HA -0.238 4.112 4.350 -0.001 0.000 0.195 316 E C 1.804 178.484 176.600 0.134 0.000 0.992 316 E CA 1.719 58.246 56.400 0.212 0.000 0.804 316 E CB 0.289 30.151 29.700 0.269 0.000 0.741 316 E HN 0.551 nan 8.360 nan 0.000 0.458 317 E N 0.207 120.441 120.200 0.056 0.000 2.110 317 E HA -0.147 4.203 4.350 -0.001 0.000 0.193 317 E C 2.094 178.702 176.600 0.014 0.000 0.988 317 E CA 1.439 57.859 56.400 0.033 0.000 0.804 317 E CB -0.580 29.131 29.700 0.018 0.000 0.745 317 E HN 0.276 nan 8.360 nan 0.000 0.458 318 V N 0.813 120.723 119.914 -0.007 0.000 2.307 318 V HA -0.239 3.881 4.120 -0.001 0.000 0.245 318 V C 2.417 178.532 176.094 0.035 0.000 1.045 318 V CA 1.823 64.117 62.300 -0.009 0.000 1.024 318 V CB -1.008 30.788 31.823 -0.046 0.000 0.651 318 V HN 0.241 nan 8.190 nan 0.000 0.449 319 Y N 1.733 121.985 120.300 -0.080 0.000 2.207 319 Y HA -0.166 4.383 4.550 -0.001 0.000 0.287 319 Y C 2.410 178.347 175.900 0.061 0.000 1.156 319 Y CA 1.522 59.628 58.100 0.009 0.000 1.182 319 Y CB -0.140 38.377 38.460 0.094 0.000 0.979 319 Y HN 0.062 nan 8.280 nan 0.000 0.521 320 R N 0.573 120.992 120.500 -0.135 0.000 2.310 320 R HA 0.075 4.415 4.340 -0.001 0.000 0.202 320 R C 0.931 177.161 176.300 -0.117 0.000 0.933 320 R CA 0.523 56.499 56.100 -0.206 0.000 1.054 320 R CB -0.849 29.419 30.300 -0.052 0.000 0.985 320 R HN 0.242 nan 8.270 nan 0.000 0.489 321 S N 1.210 116.868 115.700 -0.070 0.000 2.560 321 S HA 0.027 4.497 4.470 -0.001 0.000 0.284 321 S C 0.872 175.457 174.600 -0.023 0.000 1.327 321 S CA -0.062 58.121 58.200 -0.029 0.000 1.055 321 S CB 0.591 63.787 63.200 -0.006 0.000 0.868 321 S HN 0.355 nan 8.310 nan 0.000 0.506 322 S N 4.075 119.773 115.700 -0.004 0.000 2.843 322 S HA 0.391 4.861 4.470 -0.001 0.000 0.249 322 S C 0.019 174.639 174.600 0.034 0.000 1.047 322 S CA -0.846 57.365 58.200 0.018 0.000 1.042 322 S CB 0.128 63.328 63.200 0.002 0.000 0.936 322 S HN 0.597 nan 8.310 nan 0.000 0.531 323 R N 2.448 122.969 120.500 0.035 0.000 2.531 323 R HA 0.482 4.822 4.340 -0.001 0.000 0.273 323 R C -2.785 173.556 176.300 0.069 0.000 1.070 323 R CA -2.117 54.001 56.100 0.028 0.000 1.112 323 R CB -0.681 29.629 30.300 0.017 0.000 1.049 323 R HN 0.205 nan 8.270 nan 0.000 0.508 324 P HA 0.107 nan 4.420 nan 0.000 0.267 324 P C -0.453 176.937 177.300 0.150 0.000 1.200 324 P CA 0.146 63.278 63.100 0.053 0.000 0.772 324 P CB 0.484 32.146 31.700 -0.063 0.000 0.855 325 L N 2.537 123.961 121.223 0.336 0.000 2.334 325 L HA 0.485 4.825 4.340 -0.001 0.000 0.273 325 L C 0.759 177.634 176.870 0.008 0.000 1.013 325 L CA -0.881 54.003 54.840 0.072 0.000 0.816 325 L CB 1.645 43.628 42.059 -0.126 0.000 1.278 325 L HN 0.214 nan 8.230 nan 0.000 0.431 326 R N 1.612 122.062 120.500 -0.084 0.000 2.202 326 R HA 0.454 4.794 4.340 -0.001 0.000 0.334 326 R C -1.180 174.972 176.300 -0.248 0.000 1.036 326 R CA -0.406 55.619 56.100 -0.125 0.000 0.878 326 R CB 1.212 31.439 30.300 -0.122 0.000 1.067 326 R HN 0.276 nan 8.270 nan 0.000 0.457 327 V N 3.078 122.858 119.914 -0.222 0.000 2.350 327 V HA 0.349 4.469 4.120 -0.001 0.000 0.285 327 V C 0.726 176.726 176.094 -0.157 0.000 1.014 327 V CA -0.921 61.193 62.300 -0.310 0.000 0.831 327 V CB 1.608 33.257 31.823 -0.289 0.000 1.000 327 V HN 0.932 nan 8.190 nan 0.000 0.433 328 G N 3.963 112.591 108.800 -0.286 0.000 2.527 328 G HA2 0.501 4.461 3.960 -0.001 0.000 0.248 328 G HA3 0.501 4.461 3.960 -0.001 0.000 0.248 328 G C -0.947 174.030 174.900 0.127 0.000 1.231 328 G CA -0.037 44.977 45.100 -0.144 0.000 0.838 328 G HN 1.012 nan 8.290 nan 0.000 0.570 329 Y N -0.260 120.102 120.300 0.103 0.000 2.592 329 Y HA 0.651 5.201 4.550 0.001 0.000 0.334 329 Y C -1.536 174.529 175.900 0.276 0.000 1.136 329 Y CA -2.058 56.112 58.100 0.117 0.000 1.042 329 Y CB 1.230 39.721 38.460 0.052 0.000 1.325 329 Y HN 0.827 nan 8.280 nan 0.000 0.457 330 Y N -0.299 120.061 120.300 0.100 0.000 2.553 330 Y HA 0.649 5.199 4.550 0.001 0.000 0.347 330 Y C 0.048 176.082 175.900 0.224 0.000 1.019 330 Y CA -1.368 56.758 58.100 0.043 0.000 1.032 330 Y CB 2.001 40.511 38.460 0.084 0.000 1.284 330 Y HN 0.772 nan 8.280 nan 0.000 0.466 331 E N 0.422 120.829 120.200 0.346 0.000 2.340 331 E HA 0.058 4.408 4.350 -0.001 0.000 0.194 331 E C -0.142 176.660 176.600 0.336 0.000 0.996 331 E CA 0.916 57.488 56.400 0.287 0.000 0.869 331 E CB 0.620 30.471 29.700 0.252 0.000 0.835 331 E HN 0.670 nan 8.360 nan 0.000 0.493 332 T N 0.064 114.900 114.554 0.469 0.000 2.932 332 T HA 0.070 4.420 4.350 -0.001 0.000 0.318 332 T C -1.062 173.974 174.700 0.559 0.000 1.265 332 T CA -0.762 61.672 62.100 0.557 0.000 1.036 332 T CB 1.512 70.636 68.868 0.427 0.000 1.209 332 T HN -0.012 nan 8.240 nan 0.000 0.484 333 D N 2.197 122.916 120.400 0.532 0.000 2.339 333 D HA 0.106 4.746 4.640 -0.001 0.000 0.217 333 D C 0.562 176.876 176.300 0.024 0.000 1.050 333 D CA -0.091 53.989 54.000 0.134 0.000 0.856 333 D CB -0.806 39.973 40.800 -0.034 0.000 0.922 333 D HN 0.828 nan 8.370 nan 0.000 0.518 334 N N -1.611 117.093 118.700 0.006 0.000 2.741 334 N HA -0.310 4.429 4.740 -0.001 0.000 0.251 334 N C -0.433 174.975 175.510 -0.170 0.000 1.112 334 N CA 0.878 53.702 53.050 -0.377 0.000 0.750 334 N CB -1.297 36.994 38.487 -0.326 0.000 1.119 334 N HN 0.402 nan 8.380 nan 0.000 0.561 335 Y N -0.733 119.626 120.300 0.099 0.000 2.921 335 Y HA 0.220 4.769 4.550 -0.001 0.000 0.246 335 Y C 0.307 176.552 175.900 0.575 0.000 1.030 335 Y CA 0.583 58.899 58.100 0.361 0.000 1.338 335 Y CB 1.036 39.588 38.460 0.153 0.000 1.493 335 Y HN -0.071 nan 8.280 nan 0.000 0.452 336 T N 3.381 118.251 114.554 0.526 0.000 2.770 336 T HA 0.283 4.633 4.350 -0.001 0.000 0.297 336 T C -0.428 174.631 174.700 0.598 0.000 0.997 336 T CA -0.483 61.913 62.100 0.493 0.000 0.949 336 T CB 0.777 69.904 68.868 0.433 0.000 0.941 336 T HN 0.216 nan 8.240 nan 0.000 0.457 337 M N 6.293 126.054 119.600 0.268 0.000 2.252 337 M HA 0.157 4.636 4.480 -0.001 0.000 0.348 337 M C -2.075 174.447 176.300 0.370 0.000 1.334 337 M CA -1.202 54.089 55.300 -0.015 0.000 1.071 337 M CB 0.663 32.748 32.600 -0.858 0.000 1.763 337 M HN 0.235 nan 8.290 nan 0.000 0.452 338 P HA 0.136 nan 4.420 nan 0.000 0.274 338 P C -1.022 176.470 177.300 0.320 0.000 1.231 338 P CA -0.404 62.881 63.100 0.308 0.000 0.790 338 P CB 0.559 32.376 31.700 0.195 0.000 0.951 339 S N 2.091 117.929 115.700 0.230 0.000 2.584 339 S HA 0.175 4.645 4.470 -0.001 0.000 0.270 339 S C -1.640 173.032 174.600 0.121 0.000 1.346 339 S CA -0.787 57.514 58.200 0.167 0.000 1.018 339 S CB -0.526 62.685 63.200 0.019 0.000 0.899 339 S HN 0.269 nan 8.310 nan 0.000 0.542 340 P HA -0.153 nan 4.420 nan 0.000 0.216 340 P C 1.638 178.958 177.300 0.033 0.000 1.157 340 P CA 2.162 65.301 63.100 0.064 0.000 0.880 340 P CB -0.294 31.437 31.700 0.052 0.000 0.791 341 A N -1.313 121.514 122.820 0.010 0.000 1.902 341 A HA -0.216 4.103 4.320 -0.001 0.000 0.217 341 A C 2.262 179.838 177.584 -0.013 0.000 1.181 341 A CA 2.063 54.093 52.037 -0.012 0.000 0.623 341 A CB -1.487 17.490 19.000 -0.038 0.000 0.818 341 A HN 0.106 nan 8.150 nan 0.000 0.443 342 M N -1.446 118.149 119.600 -0.008 0.000 2.080 342 M HA -0.187 4.293 4.480 -0.001 0.000 0.260 342 M C 2.436 178.731 176.300 -0.009 0.000 1.068 342 M CA 2.071 57.357 55.300 -0.023 0.000 1.109 342 M CB -0.262 32.322 32.600 -0.028 0.000 1.342 342 M HN 0.482 nan 8.290 nan 0.000 0.405 343 R N -0.057 120.460 120.500 0.028 0.000 2.081 343 R HA -0.162 4.178 4.340 -0.001 0.000 0.235 343 R C 2.299 178.619 176.300 0.034 0.000 1.131 343 R CA 1.651 57.781 56.100 0.050 0.000 0.960 343 R CB -0.181 30.166 30.300 0.079 0.000 0.856 343 R HN 0.267 nan 8.270 nan 0.000 0.436 344 R N -0.011 120.502 120.500 0.021 0.000 2.081 344 R HA -0.113 4.226 4.340 -0.001 0.000 0.235 344 R C 2.129 178.427 176.300 -0.003 0.000 1.131 344 R CA 1.523 57.630 56.100 0.011 0.000 0.960 344 R CB -0.314 29.990 30.300 0.006 0.000 0.856 344 R HN 0.298 nan 8.270 nan 0.000 0.436 345 A N 1.618 124.429 122.820 -0.014 0.000 1.892 345 A HA -0.195 4.124 4.320 -0.001 0.000 0.218 345 A C 2.119 179.685 177.584 -0.030 0.000 1.188 345 A CA 1.384 53.404 52.037 -0.029 0.000 0.631 345 A CB -0.758 18.217 19.000 -0.041 0.000 0.822 345 A HN 0.412 nan 8.150 nan 0.000 0.447 346 L N -0.359 120.851 121.223 -0.021 0.000 2.027 346 L HA -0.109 4.231 4.340 -0.001 0.000 0.206 346 L C 2.250 179.111 176.870 -0.014 0.000 1.074 346 L CA 1.896 56.728 54.840 -0.013 0.000 0.745 346 L CB -0.824 41.242 42.059 0.012 0.000 0.898 346 L HN 0.303 nan 8.230 nan 0.000 0.433 347 I N 0.395 120.966 120.570 0.001 0.000 2.252 347 I HA -0.237 3.932 4.170 -0.001 0.000 0.245 347 I C 2.544 178.641 176.117 -0.034 0.000 1.102 347 I CA 1.072 62.365 61.300 -0.011 0.000 1.385 347 I CB -1.062 36.950 38.000 0.020 0.000 1.064 347 I HN 0.341 nan 8.210 nan 0.000 0.414 348 E N 0.196 120.383 120.200 -0.023 0.000 2.110 348 E HA -0.173 4.177 4.350 -0.001 0.000 0.193 348 E C 2.094 178.674 176.600 -0.033 0.000 0.988 348 E CA 1.821 58.207 56.400 -0.024 0.000 0.804 348 E CB -0.048 29.641 29.700 -0.017 0.000 0.745 348 E HN 0.442 nan 8.360 nan 0.000 0.458 349 T N 1.222 115.752 114.554 -0.041 0.000 2.777 349 T HA -0.145 4.204 4.350 -0.001 0.000 0.266 349 T C 1.776 176.447 174.700 -0.049 0.000 1.040 349 T CA 0.947 63.020 62.100 -0.045 0.000 1.141 349 T CB -0.070 68.763 68.868 -0.059 0.000 0.868 349 T HN 0.048 nan 8.240 nan 0.000 0.444 350 K N 1.255 121.600 120.400 -0.092 0.000 2.063 350 K HA -0.185 4.135 4.320 -0.001 0.000 0.208 350 K C 2.230 178.758 176.600 -0.120 0.000 1.048 350 K CA 1.611 57.794 56.287 -0.174 0.000 0.928 350 K CB -0.240 32.043 32.500 -0.362 0.000 0.713 350 K HN 0.430 nan 8.250 nan 0.000 0.442 351 Q N -0.305 119.444 119.800 -0.085 0.000 2.084 351 Q HA -0.091 4.249 4.340 -0.001 0.000 0.202 351 Q C 2.296 178.284 176.000 -0.020 0.000 0.978 351 Q CA 1.157 56.931 55.803 -0.049 0.000 0.844 351 Q CB -0.023 28.695 28.738 -0.033 0.000 0.898 351 Q HN 0.197 nan 8.270 nan 0.000 0.426 352 R N 0.424 120.918 120.500 -0.010 0.000 2.092 352 R HA -0.067 4.272 4.340 -0.001 0.000 0.231 352 R C 2.274 178.604 176.300 0.051 0.000 1.119 352 R CA 0.928 57.036 56.100 0.013 0.000 0.970 352 R CB -0.562 29.743 30.300 0.008 0.000 0.864 352 R HN 0.312 nan 8.270 nan 0.000 0.440 353 L N 0.687 121.951 121.223 0.067 0.000 2.046 353 L HA -0.158 4.182 4.340 -0.001 0.000 0.208 353 L C 2.341 179.313 176.870 0.169 0.000 1.077 353 L CA 1.425 56.372 54.840 0.180 0.000 0.747 353 L CB -0.418 41.723 42.059 0.137 0.000 0.896 353 L HN 0.195 nan 8.230 nan 0.000 0.432 354 E N 0.181 120.416 120.200 0.057 0.000 2.077 354 E HA -0.230 4.120 4.350 -0.001 0.000 0.193 354 E C 2.301 178.905 176.600 0.007 0.000 0.989 354 E CA 1.152 57.566 56.400 0.024 0.000 0.800 354 E CB -0.201 29.491 29.700 -0.013 0.000 0.746 354 E HN 0.509 nan 8.360 nan 0.000 0.452 355 A N 1.302 124.127 122.820 0.008 0.000 2.019 355 A HA -0.071 4.248 4.320 -0.001 0.000 0.219 355 A C 2.256 179.832 177.584 -0.014 0.000 1.164 355 A CA 1.522 53.558 52.037 -0.003 0.000 0.644 355 A CB -0.341 18.660 19.000 0.002 0.000 0.805 355 A HN 0.268 nan 8.150 nan 0.000 0.449 356 A N -2.111 120.709 122.820 -0.000 0.000 2.238 356 A HA 0.426 4.745 4.320 -0.001 0.000 0.208 356 A C 1.672 179.128 177.584 -0.213 0.000 1.177 356 A CA 1.187 53.196 52.037 -0.047 0.000 0.804 356 A CB -0.681 18.355 19.000 0.060 0.000 0.823 356 A HN 1.819 nan 8.150 nan 0.000 0.482 357 G N -1.466 107.221 108.800 -0.189 0.000 2.163 357 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.213 357 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.213 357 G C -0.058 174.666 174.900 -0.293 0.000 0.991 357 G CA 0.158 45.119 45.100 -0.233 0.000 0.653 357 G HN 0.729 nan 8.290 nan 0.000 0.518 358 H N 0.572 119.635 119.070 -0.012 0.000 2.505 358 H HA 0.580 5.136 4.556 -0.001 0.000 0.351 358 H C 0.234 175.543 175.328 -0.031 0.000 1.151 358 H CA 0.606 56.640 56.048 -0.024 0.000 1.339 358 H CB 1.060 30.814 29.762 -0.015 0.000 1.483 358 H HN 0.089 nan 8.280 nan 0.000 0.558 359 T N 4.099 118.703 114.554 0.083 0.000 2.733 359 T HA 0.192 4.542 4.350 -0.001 0.000 0.294 359 T C -0.206 174.514 174.700 0.032 0.000 0.956 359 T CA -0.718 61.403 62.100 0.034 0.000 0.987 359 T CB 0.202 69.077 68.868 0.011 0.000 0.920 359 T HN 0.146 nan 8.240 nan 0.000 0.470 360 L N 4.985 126.234 121.223 0.044 0.000 2.264 360 L HA 0.525 4.864 4.340 -0.001 0.000 0.289 360 L C -0.212 176.792 176.870 0.222 0.000 1.044 360 L CA -0.286 54.600 54.840 0.077 0.000 0.807 360 L CB 0.806 42.810 42.059 -0.091 0.000 1.192 360 L HN 0.662 nan 8.230 nan 0.000 0.425 361 I N 6.018 126.756 120.570 0.281 0.000 2.411 361 I HA 0.296 4.466 4.170 -0.001 0.000 0.284 361 I C -2.143 174.048 176.117 0.124 0.000 1.012 361 I CA -1.865 59.548 61.300 0.187 0.000 1.119 361 I CB 2.023 40.052 38.000 0.048 0.000 1.261 361 I HN 0.339 nan 8.210 nan 0.000 0.448 362 P HA 0.019 nan 4.420 nan 0.000 0.261 362 P C -1.049 176.243 177.300 -0.013 0.000 1.183 362 P CA 0.494 63.435 63.100 -0.264 0.000 0.761 362 P CB 0.095 31.703 31.700 -0.152 0.000 0.785 363 F N 4.892 124.732 119.950 -0.184 0.000 2.604 363 F HA 0.561 5.088 4.527 -0.001 0.000 0.316 363 F C -1.967 173.835 175.800 0.003 0.000 1.136 363 F CA -1.005 56.956 58.000 -0.065 0.000 0.989 363 F CB 1.368 40.333 39.000 -0.058 0.000 1.258 363 F HN 0.065 nan 8.300 nan 0.000 0.451 364 L N 8.200 129.045 121.223 -0.631 0.000 2.439 364 L HA 0.691 5.031 4.340 -0.001 0.000 0.270 364 L C -2.596 173.851 176.870 -0.705 0.000 0.972 364 L CA -2.037 52.454 54.840 -0.582 0.000 0.836 364 L CB 1.867 43.664 42.059 -0.436 0.000 1.255 364 L HN 0.335 nan 8.230 nan 0.000 0.404 365 P HA 0.119 nan 4.420 nan 0.000 0.264 365 P C -1.174 176.029 177.300 -0.161 0.000 1.183 365 P CA 0.056 63.037 63.100 -0.197 0.000 0.763 365 P CB 0.129 31.843 31.700 0.024 0.000 0.807 366 N N 1.828 120.474 118.700 -0.089 0.000 2.453 366 N HA 0.004 4.744 4.740 -0.001 0.000 0.253 366 N C 0.018 175.608 175.510 0.132 0.000 1.252 366 N CA -0.346 52.694 53.050 -0.016 0.000 0.917 366 N CB -0.242 38.241 38.487 -0.007 0.000 1.117 366 N HN 0.247 nan 8.380 nan 0.000 0.442 367 N N -0.035 118.699 118.700 0.057 0.000 2.725 367 N HA -0.195 4.544 4.740 -0.001 0.000 0.251 367 N C 0.176 175.700 175.510 0.023 0.000 1.031 367 N CA 0.569 53.660 53.050 0.067 0.000 0.720 367 N CB -0.901 37.639 38.487 0.088 0.000 0.930 367 N HN 0.660 nan 8.380 nan 0.000 0.543 368 I N 0.514 121.060 120.570 -0.039 0.000 2.179 368 I HA -0.173 3.996 4.170 -0.001 0.000 0.242 368 I C -0.525 175.461 176.117 -0.219 0.000 1.088 368 I CA 1.256 62.465 61.300 -0.152 0.000 1.357 368 I CB -0.778 37.115 38.000 -0.178 0.000 1.051 368 I HN 0.187 nan 8.210 nan 0.000 0.409 369 P HA -0.249 nan 4.420 nan 0.000 0.215 369 P C 1.605 178.869 177.300 -0.060 0.000 1.157 369 P CA 1.551 64.639 63.100 -0.019 0.000 0.874 369 P CB -0.205 31.630 31.700 0.225 0.000 0.790 370 Y N 0.884 121.089 120.300 -0.159 0.000 2.114 370 Y HA -0.275 4.278 4.550 0.004 0.000 0.282 370 Y C 2.310 178.002 175.900 -0.347 0.000 1.165 370 Y CA 1.958 59.930 58.100 -0.213 0.000 1.148 370 Y CB -1.169 37.173 38.460 -0.197 0.000 0.972 370 Y HN -0.108 nan 8.280 nan 0.000 0.504 371 A N 0.367 122.834 122.820 -0.589 0.000 1.902 371 A HA -0.145 4.175 4.320 -0.001 0.000 0.217 371 A C 2.326 179.572 177.584 -0.564 0.000 1.181 371 A CA 1.988 53.538 52.037 -0.812 0.000 0.623 371 A CB -1.059 17.453 19.000 -0.813 0.000 0.818 371 A HN 0.580 nan 8.150 nan 0.000 0.443 372 L N -1.347 119.600 121.223 -0.460 0.000 2.068 372 L HA -0.091 4.248 4.340 -0.001 0.000 0.204 372 L C 2.580 179.175 176.870 -0.458 0.000 1.076 372 L CA 1.378 55.978 54.840 -0.401 0.000 0.753 372 L CB -0.498 41.294 42.059 -0.444 0.000 0.910 372 L HN 0.424 nan 8.230 nan 0.000 0.439 373 E N -0.644 119.310 120.200 -0.410 0.000 2.112 373 E HA -0.104 4.245 4.350 -0.001 0.000 0.190 373 E C 2.108 178.462 176.600 -0.410 0.000 0.979 373 E CA 0.877 56.995 56.400 -0.469 0.000 0.814 373 E CB 0.265 29.880 29.700 -0.142 0.000 0.762 373 E HN 0.217 nan 8.360 nan 0.000 0.460 374 V N 0.659 120.344 119.914 -0.381 0.000 2.627 374 V HA -0.056 4.064 4.120 -0.001 0.000 0.239 374 V C 2.055 177.914 176.094 -0.391 0.000 1.077 374 V CA 0.666 62.763 62.300 -0.339 0.000 1.103 374 V CB -0.158 31.482 31.823 -0.305 0.000 0.802 374 V HN 0.163 nan 8.190 nan 0.000 0.482 375 L N -0.184 120.704 121.223 -0.559 0.000 2.068 375 L HA -0.055 4.285 4.340 -0.001 0.000 0.204 375 L C 2.570 179.253 176.870 -0.312 0.000 1.076 375 L CA 1.554 56.121 54.840 -0.455 0.000 0.753 375 L CB -0.651 41.054 42.059 -0.590 0.000 0.910 375 L HN 0.278 nan 8.230 nan 0.000 0.439 376 S N -0.629 114.876 115.700 -0.324 0.000 2.336 376 S HA -0.126 4.344 4.470 -0.001 0.000 0.216 376 S C 2.030 176.516 174.600 -0.190 0.000 1.032 376 S CA 1.651 59.712 58.200 -0.232 0.000 0.973 376 S CB -0.340 62.730 63.200 -0.218 0.000 0.888 376 S HN 0.365 nan 8.310 nan 0.000 0.455 377 T N 1.874 116.282 114.554 -0.243 0.000 2.684 377 T HA -0.075 4.275 4.350 -0.001 0.000 0.267 377 T C 2.056 176.724 174.700 -0.054 0.000 1.036 377 T CA 1.444 63.459 62.100 -0.141 0.000 1.148 377 T CB -0.938 67.679 68.868 -0.419 0.000 0.863 377 T HN 0.542 nan 8.240 nan 0.000 0.436 378 G N 0.801 109.525 108.800 -0.127 0.000 2.422 378 G HA2 -0.037 3.922 3.960 -0.001 0.000 0.218 378 G HA3 -0.037 3.922 3.960 -0.001 0.000 0.218 378 G C 1.697 176.547 174.900 -0.084 0.000 1.146 378 G CA 0.946 45.998 45.100 -0.079 0.000 0.769 378 G HN 0.575 nan 8.290 nan 0.000 0.547 379 G N 0.810 109.533 108.800 -0.130 0.000 2.402 379 G HA2 -0.084 3.876 3.960 -0.001 0.000 0.216 379 G HA3 -0.084 3.876 3.960 -0.001 0.000 0.216 379 G C 1.786 176.563 174.900 -0.205 0.000 1.162 379 G CA 0.641 45.660 45.100 -0.135 0.000 0.777 379 G HN 0.421 nan 8.290 nan 0.000 0.539 380 L N -1.145 119.897 121.223 -0.302 0.000 2.141 380 L HA 0.172 4.511 4.340 -0.001 0.000 0.209 380 L C 1.083 177.407 176.870 -0.909 0.000 1.094 380 L CA 0.577 55.031 54.840 -0.643 0.000 0.763 380 L CB -0.058 41.550 42.059 -0.752 0.000 0.908 380 L HN 0.096 nan 8.230 nan 0.000 0.437 381 F N -1.389 118.470 119.950 -0.152 0.000 2.879 381 F HA 0.222 4.748 4.527 -0.001 0.000 0.354 381 F C 1.705 177.460 175.800 -0.075 0.000 1.291 381 F CA -0.365 57.562 58.000 -0.122 0.000 1.238 381 F CB -0.126 38.813 39.000 -0.102 0.000 1.005 381 F HN -0.184 nan 8.300 nan 0.000 0.508 382 S N 0.127 115.837 115.700 0.017 0.000 2.400 382 S HA -0.204 4.266 4.470 -0.001 0.000 0.232 382 S C 1.684 176.308 174.600 0.040 0.000 1.025 382 S CA 1.843 60.054 58.200 0.018 0.000 0.993 382 S CB -0.194 63.001 63.200 -0.008 0.000 0.808 382 S HN 0.619 nan 8.310 nan 0.000 0.478 383 D N -0.104 120.329 120.400 0.055 0.000 2.342 383 D HA 0.220 4.859 4.640 -0.001 0.000 0.221 383 D C 1.143 177.492 176.300 0.081 0.000 1.101 383 D CA 0.583 54.618 54.000 0.058 0.000 0.837 383 D CB -0.557 40.275 40.800 0.052 0.000 0.938 383 D HN 0.350 nan 8.370 nan 0.000 0.508 384 G N -0.144 108.720 108.800 0.106 0.000 2.155 384 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.257 384 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.257 384 G C 1.167 176.130 174.900 0.105 0.000 0.983 384 G CA 0.476 45.629 45.100 0.089 0.000 0.676 384 G HN 1.426 nan 8.290 nan 0.000 0.528 385 G N -1.156 107.781 108.800 0.228 0.000 2.176 385 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.232 385 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.232 385 G C 0.942 175.986 174.900 0.240 0.000 0.986 385 G CA 1.231 46.517 45.100 0.309 0.000 0.643 385 G HN 1.059 nan 8.290 nan 0.000 0.522 386 R N 1.099 121.689 120.500 0.149 0.000 2.073 386 R HA 0.024 4.364 4.340 -0.001 0.000 0.234 386 R C 2.838 179.207 176.300 0.116 0.000 1.134 386 R CA 2.587 58.752 56.100 0.107 0.000 0.952 386 R CB -0.491 29.853 30.300 0.074 0.000 0.850 386 R HN 0.385 nan 8.270 nan 0.000 0.433 387 S N 0.070 115.839 115.700 0.115 0.000 2.359 387 S HA -0.183 4.287 4.470 -0.001 0.000 0.224 387 S C 1.531 176.202 174.600 0.118 0.000 1.035 387 S CA 1.459 59.712 58.200 0.088 0.000 1.018 387 S CB -0.501 62.725 63.200 0.044 0.000 0.876 387 S HN 0.369 nan 8.310 nan 0.000 0.448 388 F N 2.278 122.241 119.950 0.022 0.000 2.126 388 F HA -0.059 4.468 4.527 0.000 0.000 0.299 388 F C 1.796 177.723 175.800 0.211 0.000 1.096 388 F CA 1.193 59.242 58.000 0.080 0.000 1.255 388 F CB -0.479 38.602 39.000 0.135 0.000 0.997 388 F HN 0.094 nan 8.300 nan 0.000 0.479 389 L N -0.123 121.174 121.223 0.124 0.000 2.201 389 L HA -0.200 4.140 4.340 -0.001 0.000 0.212 389 L C 2.512 179.434 176.870 0.086 0.000 1.105 389 L CA 0.647 55.524 54.840 0.062 0.000 0.775 389 L CB -0.763 41.330 42.059 0.056 0.000 0.913 389 L HN 0.176 nan 8.230 nan 0.000 0.440 390 Q N 0.253 120.085 119.800 0.053 0.000 2.152 390 Q HA -0.216 4.124 4.340 -0.001 0.000 0.206 390 Q C 1.860 177.854 176.000 -0.010 0.000 0.985 390 Q CA 1.332 57.153 55.803 0.030 0.000 0.863 390 Q CB -0.417 28.342 28.738 0.036 0.000 0.904 390 Q HN 0.622 nan 8.270 nan 0.000 0.422 391 N N -0.431 118.224 118.700 -0.074 0.000 2.381 391 N HA -0.099 4.640 4.740 -0.001 0.000 0.182 391 N C 1.138 176.426 175.510 -0.369 0.000 1.025 391 N CA 0.847 53.745 53.050 -0.253 0.000 0.888 391 N CB -0.106 38.105 38.487 -0.460 0.000 0.965 391 N HN 0.266 nan 8.380 nan 0.000 0.438 392 F N 1.033 120.880 119.950 -0.170 0.000 2.721 392 F HA 0.213 4.739 4.527 -0.001 0.000 0.301 392 F C 0.713 176.449 175.800 -0.106 0.000 1.096 392 F CA -0.282 57.635 58.000 -0.138 0.000 1.308 392 F CB 0.309 39.215 39.000 -0.157 0.000 1.086 392 F HN -0.355 nan 8.300 nan 0.000 0.587 393 K N 0.954 121.383 120.400 0.048 0.000 2.453 393 K HA 0.183 4.502 4.320 -0.001 0.000 0.280 393 K C 1.227 177.803 176.600 -0.040 0.000 1.045 393 K CA 0.876 57.165 56.287 0.004 0.000 1.059 393 K CB -0.002 32.496 32.500 -0.003 0.000 0.901 393 K HN 0.387 nan 8.250 nan 0.000 0.475 394 G N 2.281 111.043 108.800 -0.063 0.000 2.155 394 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.257 394 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.257 394 G C -0.171 174.618 174.900 -0.186 0.000 0.983 394 G CA 0.464 45.494 45.100 -0.115 0.000 0.676 394 G HN 0.669 nan 8.290 nan 0.000 0.528 395 D N -0.904 119.407 120.400 -0.150 0.000 2.374 395 D HA 0.659 5.299 4.640 -0.001 0.000 0.239 395 D C 0.379 176.569 176.300 -0.183 0.000 0.991 395 D CA -0.924 52.972 54.000 -0.174 0.000 0.960 395 D CB 0.692 41.451 40.800 -0.068 0.000 1.284 395 D HN -0.034 nan 8.370 nan 0.000 0.512 396 F N 0.160 120.135 119.950 0.042 0.000 2.418 396 F HA 0.276 4.803 4.527 -0.001 0.000 0.341 396 F C 0.661 176.529 175.800 0.114 0.000 1.120 396 F CA -0.498 57.534 58.000 0.054 0.000 1.232 396 F CB 0.864 39.879 39.000 0.026 0.000 1.175 396 F HN -0.105 nan 8.300 nan 0.000 0.569 397 V N 2.614 122.703 119.914 0.292 0.000 2.370 397 V HA 0.078 4.198 4.120 -0.001 0.000 0.279 397 V C 0.017 176.219 176.094 0.179 0.000 1.029 397 V CA -0.933 61.508 62.300 0.233 0.000 0.870 397 V CB 1.174 33.048 31.823 0.086 0.000 0.984 397 V HN 0.666 nan 8.190 nan 0.000 0.451 398 D N 6.431 126.943 120.400 0.185 0.000 2.455 398 D HA 0.087 4.727 4.640 -0.001 0.000 0.241 398 D C -1.574 174.769 176.300 0.071 0.000 1.138 398 D CA -1.209 52.859 54.000 0.114 0.000 0.877 398 D CB 2.159 43.030 40.800 0.118 0.000 1.187 398 D HN 0.253 nan 8.370 nan 0.000 0.451 399 P HA -0.126 nan 4.420 nan 0.000 0.220 399 P C 1.529 178.829 177.300 0.001 0.000 1.144 399 P CA 0.776 63.884 63.100 0.013 0.000 0.800 399 P CB -0.070 31.629 31.700 -0.003 0.000 0.772 400 C N -2.067 117.236 119.300 0.006 0.000 2.437 400 C HA 0.031 4.491 4.460 -0.001 0.000 0.283 400 C C 2.168 177.143 174.990 -0.025 0.000 1.424 400 C CA 0.033 59.038 59.018 -0.022 0.000 1.782 400 C CB -2.037 25.693 27.740 -0.017 0.000 1.833 400 C HN 0.110 nan 8.230 nan 0.000 0.532 401 L N 1.433 122.670 121.223 0.023 0.000 2.599 401 L HA 0.288 4.627 4.340 -0.001 0.000 0.230 401 L C 2.075 178.948 176.870 0.005 0.000 1.141 401 L CA 0.531 55.393 54.840 0.037 0.000 0.877 401 L CB -1.474 40.641 42.059 0.093 0.000 1.009 401 L HN 0.685 nan 8.230 nan 0.000 0.447 402 G N 1.290 110.083 108.800 -0.012 0.000 2.611 402 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.301 402 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.301 402 G C 0.307 175.203 174.900 -0.008 0.000 1.233 402 G CA 0.480 45.572 45.100 -0.014 0.000 0.993 402 G HN 0.371 nan 8.290 nan 0.000 0.553 403 D N 0.606 121.006 120.400 -0.000 0.000 2.424 403 D HA 0.217 4.857 4.640 -0.001 0.000 0.220 403 D C 2.213 178.506 176.300 -0.012 0.000 1.150 403 D CA -0.020 53.974 54.000 -0.010 0.000 0.831 403 D CB 0.570 41.365 40.800 -0.008 0.000 0.981 403 D HN 0.237 nan 8.370 nan 0.000 0.500 404 L N 0.915 122.139 121.223 0.002 0.000 2.042 404 L HA -0.193 4.147 4.340 -0.001 0.000 0.210 404 L C 1.744 178.592 176.870 -0.035 0.000 1.076 404 L CA 1.647 56.492 54.840 0.010 0.000 0.749 404 L CB -0.284 41.827 42.059 0.087 0.000 0.893 404 L HN -0.062 nan 8.230 nan 0.000 0.432 405 I N -0.842 119.678 120.570 -0.084 0.000 2.252 405 I HA -0.231 3.939 4.170 -0.001 0.000 0.245 405 I C 2.550 178.597 176.117 -0.117 0.000 1.102 405 I CA 1.242 62.440 61.300 -0.170 0.000 1.385 405 I CB -1.411 36.383 38.000 -0.344 0.000 1.064 405 I HN 0.330 nan 8.210 nan 0.000 0.414 406 L N 0.457 121.627 121.223 -0.089 0.000 2.012 406 L HA -0.206 4.133 4.340 -0.001 0.000 0.210 406 L C 2.507 179.335 176.870 -0.070 0.000 1.073 406 L CA 1.646 56.441 54.840 -0.074 0.000 0.748 406 L CB -0.163 41.861 42.059 -0.058 0.000 0.891 406 L HN 0.077 nan 8.230 nan 0.000 0.431 407 I N -0.770 119.766 120.570 -0.057 0.000 2.252 407 I HA -0.320 3.850 4.170 -0.001 0.000 0.245 407 I C 2.301 178.373 176.117 -0.076 0.000 1.102 407 I CA 1.214 62.484 61.300 -0.050 0.000 1.385 407 I CB -0.186 37.794 38.000 -0.033 0.000 1.064 407 I HN 0.262 nan 8.210 nan 0.000 0.414 408 L N 0.089 121.252 121.223 -0.101 0.000 2.131 408 L HA -0.177 4.163 4.340 -0.001 0.000 0.210 408 L C 2.500 179.330 176.870 -0.067 0.000 1.092 408 L CA 1.215 55.988 54.840 -0.111 0.000 0.759 408 L CB -0.469 41.530 42.059 -0.100 0.000 0.903 408 L HN 0.163 nan 8.230 nan 0.000 0.435 409 R N -0.337 120.121 120.500 -0.069 0.000 2.280 409 R HA 0.045 4.384 4.340 -0.001 0.000 0.207 409 R C 0.471 176.720 176.300 -0.086 0.000 1.043 409 R CA 0.066 56.127 56.100 -0.065 0.000 1.006 409 R CB -0.153 30.103 30.300 -0.072 0.000 0.885 409 R HN 0.265 nan 8.270 nan 0.000 0.467 410 L N 2.323 123.486 121.223 -0.099 0.000 2.456 410 L HA 0.097 4.437 4.340 -0.001 0.000 0.272 410 L C -1.978 174.802 176.870 -0.150 0.000 1.189 410 L CA -1.860 52.894 54.840 -0.144 0.000 0.846 410 L CB 0.117 42.136 42.059 -0.066 0.000 1.111 410 L HN -0.188 nan 8.230 nan 0.000 0.475 411 P HA -0.025 nan 4.420 nan 0.000 0.266 411 P C 0.455 177.603 177.300 -0.253 0.000 1.195 411 P CA 0.042 62.995 63.100 -0.244 0.000 0.768 411 P CB 0.872 32.326 31.700 -0.410 0.000 0.838 412 S N 2.888 118.549 115.700 -0.066 0.000 2.387 412 S HA -0.140 4.330 4.470 -0.001 0.000 0.230 412 S C 1.497 176.114 174.600 0.029 0.000 1.035 412 S CA 1.282 59.481 58.200 -0.001 0.000 1.014 412 S CB -0.734 62.508 63.200 0.070 0.000 0.836 412 S HN 0.680 nan 8.310 nan 0.000 0.466 413 W N -0.100 121.247 121.300 0.078 0.000 2.374 413 W HA -0.084 4.576 4.660 -0.001 0.000 0.288 413 W C 1.799 178.374 176.519 0.093 0.000 1.218 413 W CA 0.465 57.853 57.345 0.071 0.000 1.245 413 W CB -1.175 28.327 29.460 0.070 0.000 1.126 413 W HN 0.401 nan 8.180 nan 0.000 0.545 414 F N 2.580 122.010 119.950 -0.867 0.000 2.219 414 F HA 0.041 4.568 4.527 0.000 0.000 0.294 414 F C 2.518 178.117 175.800 -0.335 0.000 1.086 414 F CA 1.814 59.318 58.000 -0.828 0.000 1.330 414 F CB -0.350 37.888 39.000 -1.270 0.000 1.047 414 F HN -0.327 nan 8.300 nan 0.000 0.495 415 K N 0.062 120.367 120.400 -0.158 0.000 2.089 415 K HA -0.271 4.049 4.320 -0.001 0.000 0.210 415 K C 2.331 178.852 176.600 -0.132 0.000 1.048 415 K CA 1.828 58.044 56.287 -0.118 0.000 0.926 415 K CB -0.338 32.129 32.500 -0.055 0.000 0.714 415 K HN 0.263 nan 8.250 nan 0.000 0.448 416 R N 0.946 121.397 120.500 -0.082 0.000 2.062 416 R HA -0.116 4.224 4.340 -0.001 0.000 0.229 416 R C 2.355 178.614 176.300 -0.068 0.000 1.128 416 R CA 1.005 57.084 56.100 -0.034 0.000 0.960 416 R CB -0.256 30.067 30.300 0.039 0.000 0.855 416 R HN 0.106 nan 8.270 nan 0.000 0.432 417 L N 1.431 122.596 121.223 -0.098 0.000 2.017 417 L HA -0.140 4.200 4.340 -0.001 0.000 0.208 417 L C 2.108 178.833 176.870 -0.241 0.000 1.073 417 L CA 1.604 56.368 54.840 -0.126 0.000 0.745 417 L CB -0.756 41.256 42.059 -0.079 0.000 0.894 417 L HN 0.276 nan 8.230 nan 0.000 0.432 418 L N -1.343 119.613 121.223 -0.444 0.000 2.046 418 L HA -0.234 4.105 4.340 -0.001 0.000 0.208 418 L C 2.635 179.394 176.870 -0.184 0.000 1.077 418 L CA 1.771 56.377 54.840 -0.390 0.000 0.747 418 L CB -0.406 41.348 42.059 -0.508 0.000 0.896 418 L HN 0.477 nan 8.230 nan 0.000 0.432 419 S N -0.071 115.545 115.700 -0.141 0.000 2.365 419 S HA -0.218 4.252 4.470 -0.001 0.000 0.225 419 S C 1.950 176.523 174.600 -0.044 0.000 1.039 419 S CA 1.445 59.605 58.200 -0.065 0.000 1.033 419 S CB -0.215 62.961 63.200 -0.040 0.000 0.887 419 S HN 0.409 nan 8.310 nan 0.000 0.447 420 L N 0.674 121.867 121.223 -0.051 0.000 2.093 420 L HA -0.069 4.271 4.340 -0.001 0.000 0.208 420 L C 2.404 179.256 176.870 -0.030 0.000 1.085 420 L CA 0.968 55.790 54.840 -0.030 0.000 0.755 420 L CB -0.509 41.535 42.059 -0.024 0.000 0.904 420 L HN 0.336 nan 8.230 nan 0.000 0.435 421 L N -0.664 120.531 121.223 -0.047 0.000 2.093 421 L HA -0.202 4.137 4.340 -0.001 0.000 0.208 421 L C 2.398 179.265 176.870 -0.005 0.000 1.085 421 L CA 1.106 55.927 54.840 -0.031 0.000 0.755 421 L CB -0.346 41.683 42.059 -0.049 0.000 0.904 421 L HN 0.234 nan 8.230 nan 0.000 0.435 422 L N -0.579 120.647 121.223 0.004 0.000 2.240 422 L HA -0.146 4.194 4.340 -0.001 0.000 0.211 422 L C 2.621 179.515 176.870 0.040 0.000 1.106 422 L CA 0.771 55.655 54.840 0.073 0.000 0.793 422 L CB -0.420 41.677 42.059 0.064 0.000 0.927 422 L HN 0.207 nan 8.230 nan 0.000 0.446 423 K N 0.629 121.034 120.400 0.007 0.000 2.059 423 K HA -0.210 4.110 4.320 -0.001 0.000 0.212 423 K C -0.452 176.133 176.600 -0.026 0.000 1.050 423 K CA 1.861 58.150 56.287 0.003 0.000 0.927 423 K CB -0.828 31.674 32.500 0.003 0.000 0.714 423 K HN 0.208 nan 8.250 nan 0.000 0.447 424 P HA -0.142 nan 4.420 nan 0.000 0.218 424 P C 1.036 178.233 177.300 -0.171 0.000 1.149 424 P CA 0.947 63.997 63.100 -0.084 0.000 0.817 424 P CB 0.190 31.846 31.700 -0.074 0.000 0.785 425 L N -3.004 118.044 121.223 -0.292 0.000 2.362 425 L HA 0.188 4.527 4.340 -0.001 0.000 0.204 425 L C 0.802 177.148 176.870 -0.874 0.000 1.060 425 L CA 1.180 55.607 54.840 -0.689 0.000 0.827 425 L CB -0.932 40.526 42.059 -1.001 0.000 1.027 425 L HN -0.068 nan 8.230 nan 0.000 0.474 426 F N 0.783 120.712 119.950 -0.035 0.000 2.584 426 F HA 0.329 4.855 4.527 -0.000 0.000 0.328 426 F C -1.455 174.299 175.800 -0.077 0.000 1.407 426 F CA -1.371 56.587 58.000 -0.071 0.000 1.145 426 F CB 0.380 39.290 39.000 -0.149 0.000 1.440 426 F HN -0.097 nan 8.300 nan 0.000 0.580 427 P HA -0.193 nan 4.420 nan 0.000 0.218 427 P C 1.707 179.042 177.300 0.059 0.000 1.148 427 P CA 1.325 64.475 63.100 0.083 0.000 0.822 427 P CB 0.324 32.103 31.700 0.131 0.000 0.784 428 R N -0.759 119.708 120.500 -0.056 0.000 2.070 428 R HA -0.103 4.237 4.340 -0.001 0.000 0.233 428 R C 2.328 178.581 176.300 -0.078 0.000 1.137 428 R CA 1.261 57.265 56.100 -0.160 0.000 0.945 428 R CB -0.966 28.935 30.300 -0.665 0.000 0.845 428 R HN 0.146 nan 8.270 nan 0.000 0.430 429 L N 0.353 121.387 121.223 -0.315 0.000 2.046 429 L HA -0.133 4.207 4.340 -0.001 0.000 0.208 429 L C 2.512 179.334 176.870 -0.080 0.000 1.077 429 L CA 1.949 56.554 54.840 -0.391 0.000 0.747 429 L CB -1.120 40.654 42.059 -0.475 0.000 0.896 429 L HN 0.185 nan 8.230 nan 0.000 0.432 430 A N -0.739 122.072 122.820 -0.015 0.000 1.908 430 A HA -0.185 4.135 4.320 -0.001 0.000 0.218 430 A C 2.485 180.109 177.584 0.065 0.000 1.181 430 A CA 2.038 54.088 52.037 0.022 0.000 0.627 430 A CB -0.894 18.122 19.000 0.028 0.000 0.818 430 A HN 0.406 nan 8.150 nan 0.000 0.445 431 A N -1.399 121.492 122.820 0.118 0.000 1.897 431 A HA 0.059 4.379 4.320 -0.001 0.000 0.215 431 A C 2.014 179.684 177.584 0.143 0.000 1.181 431 A CA 1.288 53.401 52.037 0.126 0.000 0.620 431 A CB -0.747 18.346 19.000 0.154 0.000 0.821 431 A HN 0.473 nan 8.150 nan 0.000 0.443 432 F N -0.062 119.932 119.950 0.073 0.000 2.126 432 F HA -0.179 4.348 4.527 -0.000 0.000 0.299 432 F C 2.236 178.065 175.800 0.048 0.000 1.096 432 F CA 1.346 59.414 58.000 0.113 0.000 1.255 432 F CB -0.193 38.965 39.000 0.264 0.000 0.997 432 F HN 0.135 nan 8.300 nan 0.000 0.479 433 L N -0.165 121.167 121.223 0.181 0.000 2.017 433 L HA -0.278 4.062 4.340 -0.001 0.000 0.208 433 L C 2.208 179.093 176.870 0.025 0.000 1.073 433 L CA 1.618 56.497 54.840 0.066 0.000 0.745 433 L CB -0.578 41.486 42.059 0.008 0.000 0.894 433 L HN 0.178 nan 8.230 nan 0.000 0.432 434 N N 0.259 118.973 118.700 0.023 0.000 2.223 434 N HA -0.187 4.553 4.740 -0.001 0.000 0.185 434 N C 1.390 176.903 175.510 0.004 0.000 1.016 434 N CA 1.233 54.288 53.050 0.008 0.000 0.863 434 N CB -0.012 38.482 38.487 0.012 0.000 0.983 434 N HN 0.251 nan 8.380 nan 0.000 0.429 435 N N -0.463 118.233 118.700 -0.006 0.000 2.398 435 N HA 0.071 4.811 4.740 -0.001 0.000 0.188 435 N C 0.262 175.775 175.510 0.004 0.000 1.122 435 N CA 0.214 53.247 53.050 -0.028 0.000 0.866 435 N CB 0.188 38.617 38.487 -0.098 0.000 0.970 435 N HN 0.415 nan 8.380 nan 0.000 0.462 436 M N 0.402 120.011 119.600 0.015 0.000 2.493 436 M HA 0.132 4.612 4.480 -0.001 0.000 0.244 436 M C 0.044 176.350 176.300 0.009 0.000 1.182 436 M CA 0.115 55.422 55.300 0.013 0.000 0.981 436 M CB 0.387 32.934 32.600 -0.087 0.000 1.551 436 M HN -0.173 nan 8.290 nan 0.000 0.476 437 R N 1.692 122.204 120.500 0.019 0.000 2.500 437 R HA 0.389 4.729 4.340 -0.001 0.000 0.277 437 R C -2.359 173.962 176.300 0.035 0.000 1.026 437 R CA -1.640 54.472 56.100 0.021 0.000 1.058 437 R CB 0.313 30.624 30.300 0.019 0.000 1.078 437 R HN -0.043 nan 8.270 nan 0.000 0.509 438 P HA 0.082 nan 4.420 nan 0.000 0.272 438 P C -0.928 176.389 177.300 0.027 0.000 1.223 438 P CA 0.013 63.136 63.100 0.037 0.000 0.784 438 P CB 0.846 32.570 31.700 0.039 0.000 0.923 439 R N -0.150 120.360 120.500 0.017 0.000 2.795 439 R HA 0.583 4.923 4.340 -0.001 0.000 0.268 439 R C -0.590 175.699 176.300 -0.017 0.000 1.041 439 R CA -0.848 55.254 56.100 0.003 0.000 0.927 439 R CB 0.465 30.767 30.300 0.003 0.000 1.235 439 R HN 0.468 nan 8.270 nan 0.000 0.463 440 S N -0.213 115.464 115.700 -0.038 0.000 2.614 440 S HA 0.350 4.820 4.470 -0.001 0.000 0.265 440 S C 1.297 175.821 174.600 -0.125 0.000 1.303 440 S CA -0.179 57.974 58.200 -0.079 0.000 1.000 440 S CB 1.473 64.618 63.200 -0.091 0.000 0.935 440 S HN 0.810 nan 8.310 nan 0.000 0.551 441 A N 0.632 123.332 122.820 -0.200 0.000 1.933 441 A HA -0.099 4.221 4.320 -0.001 0.000 0.218 441 A C 2.120 179.375 177.584 -0.549 0.000 1.175 441 A CA 1.720 53.554 52.037 -0.337 0.000 0.628 441 A CB -1.221 17.537 19.000 -0.404 0.000 0.814 441 A HN 1.025 nan 8.150 nan 0.000 0.444 442 E N -0.198 119.717 120.200 -0.476 0.000 2.049 442 E HA -0.251 4.098 4.350 -0.001 0.000 0.198 442 E C 1.614 178.148 176.600 -0.111 0.000 1.007 442 E CA 1.518 57.698 56.400 -0.366 0.000 0.809 442 E CB -0.023 29.550 29.700 -0.213 0.000 0.749 442 E HN 0.328 nan 8.360 nan 0.000 0.450 443 K N 0.367 120.725 120.400 -0.071 0.000 2.217 443 K HA -0.103 4.217 4.320 -0.001 0.000 0.202 443 K C 2.054 178.682 176.600 0.046 0.000 1.051 443 K CA 0.338 56.631 56.287 0.009 0.000 0.952 443 K CB -0.421 32.080 32.500 0.002 0.000 0.736 443 K HN 0.206 nan 8.250 nan 0.000 0.453 444 L N -0.103 121.134 121.223 0.023 0.000 2.056 444 L HA -0.075 4.264 4.340 -0.001 0.000 0.207 444 L C 1.751 178.765 176.870 0.238 0.000 1.078 444 L CA 1.559 56.453 54.840 0.090 0.000 0.749 444 L CB -0.620 41.478 42.059 0.065 0.000 0.901 444 L HN 0.116 nan 8.230 nan 0.000 0.433 445 W N 0.707 122.021 121.300 0.024 0.000 2.318 445 W HA -0.227 4.432 4.660 -0.001 0.000 0.313 445 W C 2.803 179.358 176.519 0.060 0.000 1.221 445 W CA 1.735 59.101 57.345 0.033 0.000 1.266 445 W CB -1.083 28.388 29.460 0.019 0.000 1.150 445 W HN 0.249 nan 8.180 nan 0.000 0.496 446 K N 0.363 120.945 120.400 0.303 0.000 2.063 446 K HA -0.210 4.109 4.320 -0.001 0.000 0.208 446 K C 2.192 178.906 176.600 0.190 0.000 1.048 446 K CA 1.726 58.145 56.287 0.221 0.000 0.928 446 K CB -0.665 31.930 32.500 0.157 0.000 0.713 446 K HN 0.167 nan 8.250 nan 0.000 0.442 447 L N 0.879 122.185 121.223 0.139 0.000 2.046 447 L HA -0.230 4.109 4.340 -0.001 0.000 0.208 447 L C 2.313 179.229 176.870 0.076 0.000 1.077 447 L CA 1.423 56.308 54.840 0.076 0.000 0.747 447 L CB -0.197 41.881 42.059 0.032 0.000 0.896 447 L HN 0.335 nan 8.230 nan 0.000 0.432 448 Q N -1.210 118.661 119.800 0.117 0.000 2.124 448 Q HA -0.272 4.068 4.340 -0.001 0.000 0.202 448 Q C 2.063 178.132 176.000 0.115 0.000 0.977 448 Q CA 1.692 57.553 55.803 0.095 0.000 0.850 448 Q CB -0.336 28.466 28.738 0.106 0.000 0.901 448 Q HN 0.678 nan 8.270 nan 0.000 0.429 449 H N 1.051 120.154 119.070 0.054 0.000 2.357 449 H HA -0.088 4.467 4.556 -0.001 0.000 0.301 449 H C 1.547 176.918 175.328 0.072 0.000 1.082 449 H CA 1.270 57.347 56.048 0.048 0.000 1.342 449 H CB 0.427 30.219 29.762 0.050 0.000 1.389 449 H HN 0.316 nan 8.280 nan 0.000 0.511 450 E N 0.428 120.635 120.200 0.012 0.000 2.085 450 E HA -0.156 4.194 4.350 -0.001 0.000 0.194 450 E C 2.454 179.070 176.600 0.028 0.000 0.994 450 E CA 1.158 57.565 56.400 0.011 0.000 0.801 450 E CB 0.043 29.814 29.700 0.118 0.000 0.743 450 E HN 0.542 nan 8.360 nan 0.000 0.453 451 I N 1.222 121.794 120.570 0.004 0.000 2.179 451 I HA -0.291 3.879 4.170 -0.001 0.000 0.242 451 I C 2.730 178.875 176.117 0.047 0.000 1.088 451 I CA 1.287 62.598 61.300 0.018 0.000 1.357 451 I CB -0.291 37.700 38.000 -0.016 0.000 1.051 451 I HN 0.150 nan 8.210 nan 0.000 0.409 452 E N 1.233 121.436 120.200 0.004 0.000 2.058 452 E HA -0.260 4.089 4.350 -0.001 0.000 0.194 452 E C 2.374 178.959 176.600 -0.026 0.000 0.997 452 E CA 1.498 57.896 56.400 -0.003 0.000 0.801 452 E CB -0.070 29.632 29.700 0.004 0.000 0.746 452 E HN 0.406 nan 8.360 nan 0.000 0.450 453 M N -0.402 119.135 119.600 -0.105 0.000 2.159 453 M HA -0.152 4.327 4.480 -0.001 0.000 0.263 453 M C 2.219 178.532 176.300 0.021 0.000 1.063 453 M CA 1.362 56.611 55.300 -0.085 0.000 1.110 453 M CB -0.376 32.121 32.600 -0.173 0.000 1.374 453 M HN 0.267 nan 8.290 nan 0.000 0.411 454 Y N 0.829 121.116 120.300 -0.022 0.000 2.145 454 Y HA -0.255 4.293 4.550 -0.002 0.000 0.286 454 Y C 2.645 178.548 175.900 0.006 0.000 1.145 454 Y CA 1.755 59.867 58.100 0.021 0.000 1.148 454 Y CB -0.158 38.328 38.460 0.043 0.000 0.981 454 Y HN 0.068 nan 8.280 nan 0.000 0.507 455 R N -0.085 120.369 120.500 -0.077 0.000 2.083 455 R HA -0.212 4.128 4.340 -0.001 0.000 0.237 455 R C 2.238 178.506 176.300 -0.052 0.000 1.137 455 R CA 1.939 57.980 56.100 -0.097 0.000 0.951 455 R CB -0.189 30.125 30.300 0.025 0.000 0.851 455 R HN 0.397 nan 8.270 nan 0.000 0.434 456 Q N 0.004 119.788 119.800 -0.025 0.000 2.170 456 Q HA -0.125 4.215 4.340 -0.001 0.000 0.203 456 Q C 2.155 178.144 176.000 -0.018 0.000 0.976 456 Q CA 1.854 57.656 55.803 -0.002 0.000 0.858 456 Q CB -0.160 28.581 28.738 0.005 0.000 0.907 456 Q HN 0.463 nan 8.270 nan 0.000 0.433 457 S N -0.342 115.312 115.700 -0.077 0.000 2.383 457 S HA -0.084 4.386 4.470 -0.001 0.000 0.227 457 S C 2.094 176.656 174.600 -0.064 0.000 1.026 457 S CA 1.283 59.439 58.200 -0.074 0.000 0.981 457 S CB -0.475 62.676 63.200 -0.081 0.000 0.818 457 S HN 0.123 nan 8.310 nan 0.000 0.472 458 V N 1.882 121.703 119.914 -0.155 0.000 2.488 458 V HA 0.003 4.123 4.120 -0.001 0.000 0.246 458 V C 2.452 178.724 176.094 0.297 0.000 1.046 458 V CA 1.442 63.761 62.300 0.032 0.000 1.053 458 V CB -0.726 31.020 31.823 -0.129 0.000 0.679 458 V HN 0.473 nan 8.190 nan 0.000 0.458 459 I N 0.766 121.466 120.570 0.216 0.000 2.208 459 I HA -0.279 3.891 4.170 -0.001 0.000 0.245 459 I C 2.678 178.901 176.117 0.177 0.000 1.097 459 I CA 1.582 62.974 61.300 0.153 0.000 1.363 459 I CB -0.552 37.470 38.000 0.037 0.000 1.051 459 I HN 0.301 nan 8.210 nan 0.000 0.413 460 A N 0.109 123.010 122.820 0.134 0.000 1.902 460 A HA -0.269 4.051 4.320 -0.001 0.000 0.217 460 A C 2.260 179.957 177.584 0.189 0.000 1.181 460 A CA 1.632 53.744 52.037 0.126 0.000 0.623 460 A CB -0.623 18.422 19.000 0.074 0.000 0.818 460 A HN 0.470 nan 8.150 nan 0.000 0.443 461 Q N -1.691 118.257 119.800 0.247 0.000 2.084 461 Q HA -0.204 4.136 4.340 -0.001 0.000 0.202 461 Q C 2.065 178.369 176.000 0.506 0.000 0.978 461 Q CA 1.470 57.479 55.803 0.343 0.000 0.844 461 Q CB -0.267 28.682 28.738 0.353 0.000 0.898 461 Q HN 0.905 nan 8.270 nan 0.000 0.426 462 W N 1.918 123.387 121.300 0.282 0.000 2.335 462 W HA -0.209 4.449 4.660 -0.003 0.000 0.311 462 W C 1.483 177.988 176.519 -0.023 0.000 1.213 462 W CA 1.348 58.695 57.345 0.004 0.000 1.274 462 W CB -0.049 29.401 29.460 -0.016 0.000 1.148 462 W HN 0.043 nan 8.180 nan 0.000 0.498 463 K N 0.280 120.890 120.400 0.349 0.000 2.097 463 K HA -0.098 4.222 4.320 -0.001 0.000 0.205 463 K C 2.148 178.824 176.600 0.127 0.000 1.050 463 K CA 1.420 57.830 56.287 0.204 0.000 0.938 463 K CB -1.109 31.473 32.500 0.137 0.000 0.718 463 K HN 0.172 nan 8.250 nan 0.000 0.442 464 A N 1.043 123.946 122.820 0.138 0.000 1.972 464 A HA -0.097 4.222 4.320 -0.001 0.000 0.219 464 A C 1.916 179.547 177.584 0.079 0.000 1.169 464 A CA 1.284 53.382 52.037 0.101 0.000 0.635 464 A CB -0.215 18.850 19.000 0.109 0.000 0.810 464 A HN 0.122 nan 8.150 nan 0.000 0.446 465 M N -0.594 119.053 119.600 0.079 0.000 2.495 465 M HA 0.130 4.609 4.480 -0.001 0.000 0.237 465 M C 0.553 176.820 176.300 -0.054 0.000 1.131 465 M CA -0.119 55.193 55.300 0.019 0.000 1.032 465 M CB -1.480 31.140 32.600 0.034 0.000 1.513 465 M HN 0.666 nan 8.290 nan 0.000 0.488 466 N N 1.899 120.583 118.700 -0.026 0.000 2.714 466 N HA -0.174 4.566 4.740 -0.001 0.000 0.252 466 N C -1.029 174.409 175.510 -0.119 0.000 1.014 466 N CA -0.080 52.953 53.050 -0.028 0.000 0.735 466 N CB -0.537 37.943 38.487 -0.011 0.000 0.924 466 N HN 0.379 nan 8.380 nan 0.000 0.540 467 L N 0.372 121.420 121.223 -0.291 0.000 2.417 467 L HA 0.122 4.461 4.340 -0.001 0.000 0.268 467 L C 1.425 178.168 176.870 -0.212 0.000 1.158 467 L CA -0.427 54.089 54.840 -0.540 0.000 0.819 467 L CB 0.632 41.839 42.059 -1.420 0.000 1.112 467 L HN 0.182 nan 8.230 nan 0.000 0.458 468 D N 0.882 121.166 120.400 -0.194 0.000 2.290 468 D HA 0.060 4.699 4.640 -0.001 0.000 0.224 468 D C 0.331 176.652 176.300 0.035 0.000 0.967 468 D CA 1.121 55.105 54.000 -0.027 0.000 0.893 468 D CB 0.632 41.370 40.800 -0.103 0.000 1.037 468 D HN 0.352 nan 8.370 nan 0.000 0.477 469 V N -1.612 118.138 119.914 -0.274 0.000 3.182 469 V HA 0.692 4.812 4.120 -0.001 0.000 0.308 469 V C -1.453 174.332 176.094 -0.515 0.000 1.240 469 V CA -1.147 61.002 62.300 -0.252 0.000 1.063 469 V CB 2.581 34.069 31.823 -0.557 0.000 1.076 469 V HN -0.050 nan 8.190 nan 0.000 0.446 470 L N 1.725 122.806 121.223 -0.237 0.000 2.408 470 L HA 0.848 5.188 4.340 -0.001 0.000 0.268 470 L C -1.296 175.649 176.870 0.124 0.000 0.986 470 L CA -0.637 54.113 54.840 -0.151 0.000 0.820 470 L CB 1.686 43.699 42.059 -0.075 0.000 1.303 470 L HN 0.940 nan 8.230 nan 0.000 0.411 471 L N 4.616 125.926 121.223 0.146 0.000 2.313 471 L HA 0.870 5.210 4.340 -0.001 0.000 0.283 471 L C -0.281 176.575 176.870 -0.024 0.000 1.013 471 L CA 0.460 55.417 54.840 0.195 0.000 0.816 471 L CB 1.562 43.786 42.059 0.275 0.000 1.236 471 L HN 0.895 nan 8.230 nan 0.000 0.419 472 T N 2.571 117.054 114.554 -0.117 0.000 2.865 472 T HA 0.782 5.132 4.350 -0.001 0.000 0.294 472 T C -2.934 171.646 174.700 -0.200 0.000 1.119 472 T CA -2.117 59.768 62.100 -0.358 0.000 1.007 472 T CB 1.991 70.645 68.868 -0.355 0.000 1.225 472 T HN 0.368 nan 8.240 nan 0.000 0.515 473 P HA 0.484 nan 4.420 nan 0.000 0.274 473 P C -1.040 176.072 177.300 -0.314 0.000 1.237 473 P CA -0.667 62.249 63.100 -0.306 0.000 0.793 473 P CB 0.354 31.756 31.700 -0.496 0.000 0.977 474 M N 2.295 121.760 119.600 -0.226 0.000 2.395 474 M HA 0.401 4.881 4.480 -0.001 0.000 0.307 474 M C -1.517 174.758 176.300 -0.041 0.000 1.091 474 M CA -1.574 53.666 55.300 -0.101 0.000 0.919 474 M CB 1.106 33.678 32.600 -0.046 0.000 1.662 474 M HN 0.076 nan 8.290 nan 0.000 0.440 475 L N 4.815 126.104 121.223 0.111 0.000 2.559 475 L HA 0.573 4.913 4.340 -0.001 0.000 0.274 475 L C 0.135 177.197 176.870 0.321 0.000 1.205 475 L CA 1.554 56.550 54.840 0.260 0.000 0.907 475 L CB -0.372 41.974 42.059 0.478 0.000 1.153 475 L HN 0.885 nan 8.230 nan 0.000 0.490 476 G N 4.549 113.446 108.800 0.162 0.000 2.328 476 G HA2 0.403 4.363 3.960 -0.001 0.000 0.299 476 G HA3 0.403 4.363 3.960 -0.001 0.000 0.299 476 G C -3.409 171.447 174.900 -0.073 0.000 1.435 476 G CA -0.550 44.572 45.100 0.036 0.000 0.865 476 G HN 0.517 nan 8.290 nan 0.000 0.601 477 P HA 0.638 nan 4.420 nan 0.000 0.307 477 P C 0.020 176.994 177.300 -0.543 0.000 1.307 477 P CA -0.185 62.759 63.100 -0.261 0.000 0.814 477 P CB 1.088 32.658 31.700 -0.218 0.000 1.311 478 A N 0.227 122.617 122.820 -0.718 0.000 2.565 478 A HA 0.198 4.518 4.320 -0.001 0.000 0.237 478 A C 0.073 177.227 177.584 -0.716 0.000 1.053 478 A CA 0.354 51.673 52.037 -1.198 0.000 0.755 478 A CB -1.127 17.533 19.000 -0.567 0.000 0.980 478 A HN 0.401 nan 8.150 nan 0.000 0.506 479 L N 2.137 122.949 121.223 -0.686 0.000 2.439 479 L HA 0.238 4.577 4.340 -0.001 0.000 0.261 479 L C 0.541 177.303 176.870 -0.181 0.000 1.153 479 L CA 0.050 54.717 54.840 -0.287 0.000 0.808 479 L CB 0.276 42.247 42.059 -0.146 0.000 1.126 479 L HN 0.622 nan 8.230 nan 0.000 0.460 480 D N 0.821 121.141 120.400 -0.132 0.000 2.400 480 D HA 0.076 4.716 4.640 -0.001 0.000 0.238 480 D C -0.023 176.229 176.300 -0.078 0.000 1.157 480 D CA -0.364 53.582 54.000 -0.090 0.000 0.889 480 D CB 0.391 41.145 40.800 -0.076 0.000 1.199 480 D HN 0.071 nan 8.370 nan 0.000 0.436 481 L N 2.863 124.054 121.223 -0.054 0.000 2.559 481 L HA -0.085 4.254 4.340 -0.001 0.000 0.282 481 L C 1.117 177.949 176.870 -0.063 0.000 1.232 481 L CA 0.410 55.222 54.840 -0.047 0.000 0.885 481 L CB -0.767 41.276 42.059 -0.027 0.000 1.131 481 L HN 0.415 nan 8.230 nan 0.000 0.498 482 N N 0.571 119.225 118.700 -0.077 0.000 2.800 482 N HA -0.219 4.520 4.740 -0.001 0.000 0.250 482 N C 1.081 176.528 175.510 -0.105 0.000 1.078 482 N CA 1.244 54.244 53.050 -0.083 0.000 0.804 482 N CB -1.138 37.317 38.487 -0.053 0.000 1.135 482 N HN 0.887 nan 8.380 nan 0.000 0.565 483 T N -4.214 110.260 114.554 -0.134 0.000 3.023 483 T HA 0.167 4.516 4.350 -0.001 0.000 0.249 483 T C -1.122 173.433 174.700 -0.241 0.000 1.050 483 T CA 0.278 62.291 62.100 -0.143 0.000 1.088 483 T CB -0.135 68.667 68.868 -0.110 0.000 0.946 483 T HN -0.056 nan 8.240 nan 0.000 0.480 484 P HA -0.032 nan 4.420 nan 0.000 0.217 484 P C 1.802 178.724 177.300 -0.629 0.000 1.151 484 P CA 1.615 64.182 63.100 -0.888 0.000 0.849 484 P CB -0.692 30.133 31.700 -1.459 0.000 0.787 485 G N -0.993 107.576 108.800 -0.385 0.000 2.559 485 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.216 485 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.216 485 G C 1.384 176.206 174.900 -0.129 0.000 1.126 485 G CA 0.269 45.239 45.100 -0.217 0.000 0.778 485 G HN 0.299 nan 8.290 nan 0.000 0.543 486 R N -0.575 119.852 120.500 -0.122 0.000 2.508 486 R HA 0.394 4.733 4.340 -0.001 0.000 0.300 486 R C 0.629 176.927 176.300 -0.003 0.000 0.970 486 R CA 0.235 56.329 56.100 -0.011 0.000 1.102 486 R CB 0.959 31.262 30.300 0.004 0.000 1.246 486 R HN 0.175 nan 8.270 nan 0.000 0.539 487 A N 0.377 123.095 122.820 -0.170 0.000 3.218 487 A HA 0.226 4.545 4.320 -0.001 0.000 0.321 487 A C 0.603 177.907 177.584 -0.467 0.000 1.012 487 A CA -0.403 51.497 52.037 -0.229 0.000 0.948 487 A CB 0.217 19.196 19.000 -0.035 0.000 1.050 487 A HN -0.001 nan 8.150 nan 0.000 0.492 488 T N -0.197 113.684 114.554 -1.123 0.000 2.915 488 T HA -0.068 4.282 4.350 -0.001 0.000 0.269 488 T C 2.088 176.152 174.700 -1.059 0.000 1.071 488 T CA 1.888 63.368 62.100 -1.034 0.000 1.132 488 T CB 0.018 68.212 68.868 -1.124 0.000 0.878 488 T HN 0.679 nan 8.240 nan 0.000 0.479 489 G N 1.107 109.088 108.800 -1.365 0.000 2.448 489 G HA2 -0.047 3.913 3.960 -0.001 0.000 0.219 489 G HA3 -0.047 3.913 3.960 -0.001 0.000 0.219 489 G C 1.643 176.507 174.900 -0.058 0.000 1.127 489 G CA 0.706 45.519 45.100 -0.478 0.000 0.766 489 G HN 0.571 nan 8.290 nan 0.000 0.552 490 A N 0.624 123.395 122.820 -0.081 0.000 2.248 490 A HA 0.175 4.495 4.320 -0.001 0.000 0.210 490 A C 2.370 179.977 177.584 0.038 0.000 1.174 490 A CA 1.410 53.490 52.037 0.073 0.000 0.750 490 A CB -0.445 18.625 19.000 0.116 0.000 0.780 490 A HN 0.864 nan 8.150 nan 0.000 0.478 491 V N -1.425 118.446 119.914 -0.072 0.000 3.510 491 V HA -0.102 4.018 4.120 -0.001 0.000 0.270 491 V C 2.063 178.197 176.094 0.067 0.000 1.201 491 V CA 1.629 63.959 62.300 0.049 0.000 1.166 491 V CB -1.419 30.401 31.823 -0.006 0.000 0.825 491 V HN 0.620 nan 8.190 nan 0.000 0.484 492 S N 0.013 115.736 115.700 0.038 0.000 2.383 492 S HA -0.243 4.227 4.470 -0.001 0.000 0.229 492 S C 1.831 176.350 174.600 -0.136 0.000 1.030 492 S CA 1.674 59.813 58.200 -0.102 0.000 1.002 492 S CB -0.992 62.153 63.200 -0.093 0.000 0.829 492 S HN 0.608 nan 8.310 nan 0.000 0.467 493 Y N 3.106 123.492 120.300 0.144 0.000 2.242 493 Y HA -0.067 4.482 4.550 -0.000 0.000 0.291 493 Y C 3.283 179.264 175.900 0.136 0.000 1.137 493 Y CA 1.433 59.644 58.100 0.184 0.000 1.181 493 Y CB -1.022 37.555 38.460 0.194 0.000 0.989 493 Y HN 0.604 nan 8.280 nan 0.000 0.527 494 T N -3.344 111.289 114.554 0.131 0.000 2.953 494 T HA -0.102 4.248 4.350 -0.001 0.000 0.247 494 T C 1.933 176.629 174.700 -0.008 0.000 1.029 494 T CA 0.777 62.881 62.100 0.007 0.000 1.144 494 T CB -0.608 68.039 68.868 -0.369 0.000 0.870 494 T HN 0.270 nan 8.240 nan 0.000 0.446 495 M N 0.661 120.231 119.600 -0.050 0.000 2.279 495 M HA 0.056 4.536 4.480 -0.001 0.000 0.264 495 M C 2.048 178.258 176.300 -0.151 0.000 1.062 495 M CA 1.037 56.295 55.300 -0.071 0.000 1.099 495 M CB -0.413 32.158 32.600 -0.048 0.000 1.394 495 M HN 0.260 nan 8.290 nan 0.000 0.426 496 L N -0.055 121.018 121.223 -0.251 0.000 2.051 496 L HA -0.243 4.096 4.340 -0.001 0.000 0.214 496 L C 1.487 178.026 176.870 -0.551 0.000 1.076 496 L CA 2.108 56.675 54.840 -0.456 0.000 0.758 496 L CB -0.856 40.809 42.059 -0.656 0.000 0.890 496 L HN 0.387 nan 8.230 nan 0.000 0.433 497 Y N -1.263 119.006 120.300 -0.051 0.000 2.523 497 Y HA 0.060 4.610 4.550 -0.001 0.000 0.279 497 Y C 2.148 178.003 175.900 -0.075 0.000 1.139 497 Y CA 0.644 58.697 58.100 -0.079 0.000 1.296 497 Y CB -0.726 37.747 38.460 0.022 0.000 1.045 497 Y HN 0.342 nan 8.280 nan 0.000 0.538 498 N N -0.953 117.753 118.700 0.010 0.000 2.171 498 N HA -0.167 4.573 4.740 -0.001 0.000 0.184 498 N C 1.909 177.383 175.510 -0.060 0.000 1.021 498 N CA 1.349 54.388 53.050 -0.017 0.000 0.854 498 N CB -0.559 37.915 38.487 -0.022 0.000 0.994 498 N HN 0.305 nan 8.380 nan 0.000 0.426 499 C N 0.601 119.836 119.300 -0.108 0.000 2.432 499 C HA 0.027 4.487 4.460 -0.001 0.000 0.277 499 C C 2.222 177.156 174.990 -0.093 0.000 1.249 499 C CA 0.663 59.611 59.018 -0.117 0.000 1.725 499 C CB -1.182 26.455 27.740 -0.172 0.000 2.028 499 C HN 0.422 nan 8.230 nan 0.000 0.477 500 L N 0.174 121.296 121.223 -0.168 0.000 2.395 500 L HA 0.040 4.380 4.340 -0.001 0.000 0.218 500 L C 0.922 177.717 176.870 -0.124 0.000 1.130 500 L CA 1.278 55.942 54.840 -0.293 0.000 0.826 500 L CB -0.504 41.050 42.059 -0.840 0.000 0.941 500 L HN 0.373 nan 8.230 nan 0.000 0.451 501 D N 0.151 120.535 120.400 -0.027 0.000 2.737 501 D HA -0.258 4.382 4.640 -0.001 0.000 0.238 501 D C -0.536 175.895 176.300 0.218 0.000 1.157 501 D CA 0.633 54.660 54.000 0.045 0.000 0.694 501 D CB -1.204 39.591 40.800 -0.008 0.000 1.021 501 D HN 0.168 nan 8.370 nan 0.000 0.420 502 F N 0.071 120.006 119.950 -0.026 0.000 2.480 502 F HA 0.454 4.980 4.527 -0.002 0.000 0.329 502 F C -1.451 174.302 175.800 -0.078 0.000 1.091 502 F CA -2.484 55.467 58.000 -0.083 0.000 0.972 502 F CB 1.971 40.972 39.000 0.002 0.000 1.150 502 F HN -0.135 nan 8.300 nan 0.000 0.467 503 P HA 0.138 nan 4.420 nan 0.000 0.268 503 P C -1.321 175.996 177.300 0.028 0.000 1.205 503 P CA -0.002 63.103 63.100 0.009 0.000 0.771 503 P CB 1.150 32.834 31.700 -0.027 0.000 0.858 504 A N 2.473 125.303 122.820 0.016 0.000 2.437 504 A HA 0.727 5.046 4.320 -0.001 0.000 0.293 504 A C -0.331 177.244 177.584 -0.015 0.000 1.038 504 A CA -0.403 51.623 52.037 -0.019 0.000 0.708 504 A CB 1.565 20.549 19.000 -0.026 0.000 1.251 504 A HN 0.597 nan 8.150 nan 0.000 0.409 505 G N -0.064 108.724 108.800 -0.020 0.000 2.658 505 G HA2 0.833 4.793 3.960 -0.001 0.000 0.292 505 G HA3 0.833 4.793 3.960 -0.001 0.000 0.292 505 G C -0.695 174.173 174.900 -0.052 0.000 1.320 505 G CA -0.082 45.001 45.100 -0.028 0.000 0.933 505 G HN 1.951 nan 8.290 nan 0.000 0.476 506 V N -2.287 117.594 119.914 -0.055 0.000 2.823 506 V HA 0.894 5.014 4.120 -0.001 0.000 0.312 506 V C -0.794 175.266 176.094 -0.057 0.000 1.072 506 V CA -1.057 61.205 62.300 -0.064 0.000 0.937 506 V CB 1.574 33.361 31.823 -0.060 0.000 1.013 506 V HN 0.674 nan 8.190 nan 0.000 0.430 507 V N 3.379 123.251 119.914 -0.071 0.000 2.686 507 V HA 0.526 4.645 4.120 -0.001 0.000 0.306 507 V C -2.656 173.407 176.094 -0.052 0.000 1.065 507 V CA -1.792 60.471 62.300 -0.062 0.000 0.894 507 V CB 2.247 34.009 31.823 -0.101 0.000 1.004 507 V HN 0.886 nan 8.190 nan 0.000 0.424 508 P HA 0.171 nan 4.420 nan 0.000 0.271 508 P C 0.443 177.721 177.300 -0.036 0.000 1.220 508 P CA 0.190 63.273 63.100 -0.029 0.000 0.768 508 P CB 0.991 32.689 31.700 -0.004 0.000 0.848 509 V N -0.144 119.742 119.914 -0.046 0.000 3.497 509 V HA 0.358 4.478 4.120 -0.001 0.000 0.272 509 V C 0.397 176.471 176.094 -0.034 0.000 1.474 509 V CA 0.587 62.862 62.300 -0.042 0.000 1.025 509 V CB 0.383 32.173 31.823 -0.054 0.000 0.820 509 V HN 0.570 nan 8.190 nan 0.000 0.437 510 T N 0.742 115.270 114.554 -0.044 0.000 2.693 510 T HA 0.606 4.955 4.350 -0.001 0.000 0.304 510 T C -1.018 173.641 174.700 -0.069 0.000 1.471 510 T CA 0.548 62.623 62.100 -0.041 0.000 0.993 510 T CB 1.836 70.683 68.868 -0.036 0.000 1.554 510 T HN 0.769 nan 8.240 nan 0.000 0.496 511 T N -0.359 114.158 114.554 -0.060 0.000 2.893 511 T HA 0.681 5.031 4.350 -0.001 0.000 0.291 511 T C -0.321 174.338 174.700 -0.068 0.000 1.028 511 T CA -0.721 61.324 62.100 -0.091 0.000 0.995 511 T CB 1.214 70.049 68.868 -0.055 0.000 1.051 511 T HN 0.498 nan 8.240 nan 0.000 0.470 512 V N 3.812 123.674 119.914 -0.088 0.000 2.493 512 V HA 0.256 4.376 4.120 -0.001 0.000 0.292 512 V C 1.474 177.548 176.094 -0.033 0.000 1.016 512 V CA 0.069 62.332 62.300 -0.061 0.000 1.097 512 V CB -0.209 31.568 31.823 -0.078 0.000 0.947 512 V HN 1.198 nan 8.190 nan 0.000 0.479 513 T N 2.626 117.168 114.554 -0.021 0.000 2.881 513 T HA 0.575 4.925 4.350 -0.001 0.000 0.278 513 T C 1.347 176.043 174.700 -0.007 0.000 0.982 513 T CA -0.126 61.969 62.100 -0.008 0.000 0.989 513 T CB 1.643 70.508 68.868 -0.003 0.000 1.058 513 T HN 0.706 nan 8.240 nan 0.000 0.529 514 A N 0.034 122.853 122.820 -0.001 0.000 1.908 514 A HA -0.119 4.201 4.320 -0.001 0.000 0.218 514 A C 2.299 179.883 177.584 -0.000 0.000 1.181 514 A CA 1.946 53.982 52.037 -0.001 0.000 0.627 514 A CB -1.173 17.829 19.000 0.003 0.000 0.818 514 A HN 1.023 nan 8.150 nan 0.000 0.445 515 E N -0.220 119.982 120.200 0.002 0.000 2.031 515 E HA -0.252 4.098 4.350 -0.001 0.000 0.193 515 E C 1.447 178.051 176.600 0.005 0.000 0.994 515 E CA 1.480 57.883 56.400 0.005 0.000 0.800 515 E CB -0.229 29.475 29.700 0.007 0.000 0.752 515 E HN 0.546 nan 8.360 nan 0.000 0.447 516 D N 0.605 121.006 120.400 0.001 0.000 2.133 516 D HA -0.202 4.438 4.640 -0.001 0.000 0.192 516 D C 1.688 177.986 176.300 -0.004 0.000 1.001 516 D CA 1.614 55.614 54.000 0.000 0.000 0.844 516 D CB -0.492 40.301 40.800 -0.012 0.000 0.944 516 D HN 0.264 nan 8.370 nan 0.000 0.447 517 D N -0.219 120.174 120.400 -0.013 0.000 2.123 517 D HA -0.021 4.619 4.640 -0.001 0.000 0.200 517 D C 1.975 178.269 176.300 -0.010 0.000 0.976 517 D CA 1.483 55.471 54.000 -0.020 0.000 0.831 517 D CB -0.081 40.705 40.800 -0.024 0.000 0.974 517 D HN 0.100 nan 8.370 nan 0.000 0.469 518 A N 0.413 123.232 122.820 -0.002 0.000 1.908 518 A HA -0.234 4.086 4.320 -0.001 0.000 0.218 518 A C 2.059 179.651 177.584 0.013 0.000 1.181 518 A CA 1.528 53.567 52.037 0.004 0.000 0.627 518 A CB -0.677 18.326 19.000 0.006 0.000 0.818 518 A HN 0.305 nan 8.150 nan 0.000 0.445 519 Q N -1.058 118.753 119.800 0.019 0.000 2.364 519 Q HA -0.089 4.251 4.340 -0.001 0.000 0.209 519 Q C 1.808 177.840 176.000 0.055 0.000 0.977 519 Q CA 0.773 56.596 55.803 0.034 0.000 0.885 519 Q CB -0.408 28.351 28.738 0.036 0.000 0.941 519 Q HN 0.571 nan 8.270 nan 0.000 0.464 520 M N 0.736 120.360 119.600 0.040 0.000 2.267 520 M HA -0.148 4.332 4.480 -0.001 0.000 0.263 520 M C 1.656 177.996 176.300 0.067 0.000 1.063 520 M CA 1.120 56.448 55.300 0.046 0.000 1.090 520 M CB -0.605 31.977 32.600 -0.030 0.000 1.392 520 M HN 0.129 nan 8.290 nan 0.000 0.422 521 E N -0.026 120.200 120.200 0.044 0.000 2.209 521 E HA -0.129 4.221 4.350 -0.001 0.000 0.196 521 E C 1.507 178.146 176.600 0.064 0.000 0.993 521 E CA 0.933 57.360 56.400 0.045 0.000 0.819 521 E CB -0.022 29.694 29.700 0.026 0.000 0.745 521 E HN 0.329 nan 8.360 nan 0.000 0.477 522 L N -0.361 120.906 121.223 0.073 0.000 2.592 522 L HA 0.049 4.389 4.340 -0.001 0.000 0.227 522 L C 0.357 177.270 176.870 0.071 0.000 1.127 522 L CA -0.131 54.744 54.840 0.057 0.000 0.884 522 L CB -1.180 40.901 42.059 0.037 0.000 1.065 522 L HN 0.055 nan 8.230 nan 0.000 0.457 523 Y N 1.268 121.558 120.300 -0.016 0.000 2.569 523 Y HA -0.010 4.540 4.550 -0.000 0.000 0.332 523 Y C 1.417 177.299 175.900 -0.031 0.000 1.120 523 Y CA 0.703 58.787 58.100 -0.028 0.000 1.416 523 Y CB 0.428 38.876 38.460 -0.020 0.000 1.210 523 Y HN 0.054 nan 8.280 nan 0.000 0.528 524 K N 4.330 124.549 120.400 -0.302 0.000 2.399 524 K HA 0.286 4.606 4.320 -0.001 0.000 0.196 524 K C 0.667 177.121 176.600 -0.243 0.000 1.103 524 K CA 0.509 56.694 56.287 -0.169 0.000 0.986 524 K CB 0.508 32.927 32.500 -0.135 0.000 0.952 524 K HN 0.969 nan 8.250 nan 0.000 0.541 525 G N 1.108 109.518 108.800 -0.650 0.000 2.814 525 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.677 525 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.677 525 G C -0.087 174.561 174.900 -0.420 0.000 1.429 525 G CA -0.371 44.436 45.100 -0.488 0.000 0.868 525 G HN 0.160 nan 8.290 nan 0.000 0.553 526 Y N -0.302 119.943 120.300 -0.092 0.000 2.517 526 Y HA 0.355 4.906 4.550 0.002 0.000 0.281 526 Y C 2.359 177.995 175.900 -0.439 0.000 1.125 526 Y CA 1.230 59.156 58.100 -0.289 0.000 1.283 526 Y CB -0.012 38.188 38.460 -0.432 0.000 1.042 526 Y HN 0.440 nan 8.280 nan 0.000 0.547 527 F N -1.705 118.284 119.950 0.064 0.000 2.680 527 F HA 0.375 4.901 4.527 -0.001 0.000 0.290 527 F C 1.970 177.805 175.800 0.058 0.000 1.114 527 F CA 0.401 58.429 58.000 0.047 0.000 1.333 527 F CB -0.101 38.916 39.000 0.027 0.000 1.091 527 F HN -0.062 nan 8.300 nan 0.000 0.606 528 G N 1.646 110.583 108.800 0.228 0.000 2.225 528 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.267 528 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.267 528 G C -0.315 174.726 174.900 0.234 0.000 1.024 528 G CA 0.557 45.763 45.100 0.177 0.000 0.784 528 G HN 0.451 nan 8.290 nan 0.000 0.507 529 D N -1.130 119.406 120.400 0.228 0.000 2.506 529 D HA 0.520 5.159 4.640 -0.001 0.000 0.272 529 D C 1.486 177.746 176.300 -0.066 0.000 1.214 529 D CA -0.868 53.173 54.000 0.069 0.000 1.067 529 D CB 0.243 41.024 40.800 -0.032 0.000 1.117 529 D HN 0.104 nan 8.370 nan 0.000 0.578 530 I N -0.554 119.851 120.570 -0.274 0.000 2.335 530 I HA -0.162 4.007 4.170 -0.001 0.000 0.251 530 I C 1.316 177.464 176.117 0.051 0.000 1.129 530 I CA 1.128 62.333 61.300 -0.159 0.000 1.402 530 I CB -0.295 37.553 38.000 -0.253 0.000 1.069 530 I HN 0.403 nan 8.210 nan 0.000 0.424 531 W N 0.805 122.049 121.300 -0.094 0.000 2.358 531 W HA -0.166 4.493 4.660 -0.002 0.000 0.303 531 W C 2.366 178.890 176.519 0.008 0.000 1.208 531 W CA 1.045 58.350 57.345 -0.067 0.000 1.274 531 W CB -1.461 27.927 29.460 -0.120 0.000 1.138 531 W HN 0.197 nan 8.180 nan 0.000 0.515 532 D N -0.231 120.338 120.400 0.283 0.000 2.144 532 D HA -0.100 4.539 4.640 -0.001 0.000 0.200 532 D C 2.254 178.684 176.300 0.217 0.000 0.978 532 D CA 1.202 55.369 54.000 0.279 0.000 0.833 532 D CB -0.482 40.473 40.800 0.258 0.000 0.961 532 D HN 0.129 nan 8.370 nan 0.000 0.470 533 I N 0.644 121.300 120.570 0.143 0.000 2.202 533 I HA -0.204 3.966 4.170 -0.001 0.000 0.242 533 I C 2.175 178.326 176.117 0.056 0.000 1.091 533 I CA 0.491 61.845 61.300 0.091 0.000 1.368 533 I CB -0.012 38.018 38.000 0.051 0.000 1.058 533 I HN -0.030 nan 8.210 nan 0.000 0.410 534 I N 0.234 120.840 120.570 0.061 0.000 2.226 534 I HA -0.253 3.917 4.170 -0.001 0.000 0.245 534 I C 2.511 178.624 176.117 -0.008 0.000 1.100 534 I CA 1.558 62.874 61.300 0.027 0.000 1.374 534 I CB -1.004 37.024 38.000 0.047 0.000 1.057 534 I HN 0.239 nan 8.210 nan 0.000 0.413 535 L N 1.081 122.308 121.223 0.007 0.000 2.083 535 L HA -0.194 4.146 4.340 -0.001 0.000 0.209 535 L C 2.574 179.312 176.870 -0.221 0.000 1.083 535 L CA 1.799 56.595 54.840 -0.073 0.000 0.752 535 L CB -0.735 41.313 42.059 -0.018 0.000 0.899 535 L HN 0.147 nan 8.230 nan 0.000 0.433 536 K N -0.348 119.924 120.400 -0.213 0.000 2.020 536 K HA -0.304 4.015 4.320 -0.001 0.000 0.212 536 K C 2.336 178.847 176.600 -0.149 0.000 1.050 536 K CA 2.208 58.349 56.287 -0.243 0.000 0.929 536 K CB -0.209 32.292 32.500 0.000 0.000 0.714 536 K HN 0.265 nan 8.250 nan 0.000 0.443 537 K N -0.219 120.132 120.400 -0.081 0.000 2.057 537 K HA -0.105 4.215 4.320 -0.001 0.000 0.206 537 K C 1.979 178.527 176.600 -0.086 0.000 1.050 537 K CA 1.211 57.459 56.287 -0.065 0.000 0.935 537 K CB -0.190 32.287 32.500 -0.039 0.000 0.715 537 K HN 0.268 nan 8.250 nan 0.000 0.439 538 A N 0.786 123.548 122.820 -0.097 0.000 1.972 538 A HA -0.124 4.196 4.320 -0.001 0.000 0.219 538 A C 1.932 179.433 177.584 -0.138 0.000 1.169 538 A CA 1.473 53.445 52.037 -0.108 0.000 0.635 538 A CB -0.343 18.595 19.000 -0.103 0.000 0.810 538 A HN 0.358 nan 8.150 nan 0.000 0.446 539 M N -0.680 118.822 119.600 -0.164 0.000 2.495 539 M HA 0.076 4.555 4.480 -0.001 0.000 0.237 539 M C 0.191 176.403 176.300 -0.147 0.000 1.131 539 M CA 0.265 55.456 55.300 -0.182 0.000 1.032 539 M CB 0.083 32.551 32.600 -0.219 0.000 1.513 539 M HN 0.183 nan 8.290 nan 0.000 0.488 540 K N 1.205 121.534 120.400 -0.118 0.000 2.230 540 K HA 0.098 4.417 4.320 -0.001 0.000 0.253 540 K C 0.040 176.596 176.600 -0.074 0.000 1.008 540 K CA 0.077 56.314 56.287 -0.083 0.000 0.910 540 K CB 0.163 32.624 32.500 -0.064 0.000 0.994 540 K HN 0.187 nan 8.250 nan 0.000 0.495 541 N N -0.180 118.487 118.700 -0.054 0.000 2.756 541 N HA -0.158 4.582 4.740 -0.001 0.000 0.248 541 N C -0.926 174.555 175.510 -0.048 0.000 1.062 541 N CA 0.490 53.515 53.050 -0.042 0.000 0.696 541 N CB -0.941 37.523 38.487 -0.037 0.000 0.946 541 N HN 0.341 nan 8.380 nan 0.000 0.548 542 S N -0.818 114.848 115.700 -0.058 0.000 2.749 542 S HA 0.182 4.652 4.470 -0.001 0.000 0.246 542 S C 0.375 174.940 174.600 -0.057 0.000 1.023 542 S CA -0.468 57.688 58.200 -0.074 0.000 1.012 542 S CB 0.971 64.101 63.200 -0.117 0.000 0.942 542 S HN 0.231 nan 8.310 nan 0.000 0.531 543 V N 2.188 122.085 119.914 -0.029 0.000 2.599 543 V HA 0.360 4.479 4.120 -0.001 0.000 0.300 543 V C 1.508 177.607 176.094 0.007 0.000 1.034 543 V CA 1.300 63.592 62.300 -0.014 0.000 1.115 543 V CB 0.088 31.910 31.823 -0.001 0.000 0.934 543 V HN 0.687 nan 8.190 nan 0.000 0.485 544 G N 3.821 112.622 108.800 0.002 0.000 2.217 544 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.246 544 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.246 544 G C 0.092 174.974 174.900 -0.031 0.000 0.990 544 G CA -0.052 45.077 45.100 0.048 0.000 0.627 544 G HN 0.544 nan 8.290 nan 0.000 0.522 545 L N 2.588 123.724 121.223 -0.145 0.000 2.417 545 L HA 0.370 4.709 4.340 -0.001 0.000 0.268 545 L C -1.406 175.171 176.870 -0.489 0.000 1.158 545 L CA -1.807 52.801 54.840 -0.387 0.000 0.819 545 L CB 0.653 42.545 42.059 -0.278 0.000 1.112 545 L HN 0.013 nan 8.230 nan 0.000 0.458 546 P HA 0.157 nan 4.420 nan 0.000 0.272 546 P C -0.974 176.166 177.300 -0.266 0.000 1.223 546 P CA -0.171 62.627 63.100 -0.503 0.000 0.784 546 P CB 1.396 32.744 31.700 -0.587 0.000 0.923 547 V N 1.259 121.076 119.914 -0.161 0.000 2.760 547 V HA 0.670 4.790 4.120 -0.001 0.000 0.309 547 V C 0.151 176.207 176.094 -0.063 0.000 1.077 547 V CA -0.739 61.507 62.300 -0.090 0.000 0.910 547 V CB 1.770 33.544 31.823 -0.082 0.000 1.008 547 V HN 0.820 nan 8.190 nan 0.000 0.424 548 A N 3.485 126.282 122.820 -0.038 0.000 2.344 548 A HA 1.023 5.343 4.320 -0.001 0.000 0.307 548 A C -0.450 177.099 177.584 -0.059 0.000 1.151 548 A CA -0.483 51.528 52.037 -0.043 0.000 0.842 548 A CB 2.016 21.000 19.000 -0.025 0.000 1.350 548 A HN 1.566 nan 8.150 nan 0.000 0.459 549 V N -1.943 117.925 119.914 -0.076 0.000 3.046 549 V HA 0.775 4.894 4.120 -0.001 0.000 0.316 549 V C -0.508 175.530 176.094 -0.092 0.000 1.104 549 V CA -0.725 61.521 62.300 -0.090 0.000 1.006 549 V CB 1.387 33.150 31.823 -0.099 0.000 1.058 549 V HN 1.050 nan 8.190 nan 0.000 0.440 550 Q N 0.374 120.125 119.800 -0.081 0.000 2.309 550 Q HA 0.620 4.960 4.340 -0.001 0.000 0.264 550 Q C -1.651 174.322 176.000 -0.045 0.000 1.008 550 Q CA -0.525 55.241 55.803 -0.062 0.000 0.853 550 Q CB 1.978 30.703 28.738 -0.022 0.000 1.314 550 Q HN 0.976 nan 8.270 nan 0.000 0.448 551 C N 3.453 122.729 119.300 -0.038 0.000 2.369 551 C HA 0.727 5.187 4.460 -0.001 0.000 0.322 551 C C -0.639 174.409 174.990 0.096 0.000 1.258 551 C CA -0.587 58.474 59.018 0.072 0.000 1.487 551 C CB 0.830 28.514 27.740 -0.093 0.000 2.165 551 C HN 0.649 nan 8.230 nan 0.000 0.483 552 V N 2.900 122.907 119.914 0.155 0.000 2.735 552 V HA 0.939 5.059 4.120 -0.001 0.000 0.310 552 V C 0.216 176.459 176.094 0.249 0.000 1.061 552 V CA -0.158 62.192 62.300 0.084 0.000 0.913 552 V CB 1.796 33.552 31.823 -0.112 0.000 1.005 552 V HN 1.082 nan 8.190 nan 0.000 0.428 553 A N 3.348 126.245 122.820 0.128 0.000 2.483 553 A HA 0.916 5.235 4.320 -0.001 0.000 0.286 553 A C -0.832 176.471 177.584 -0.468 0.000 1.207 553 A CA -0.823 51.230 52.037 0.027 0.000 0.764 553 A CB 1.063 20.077 19.000 0.022 0.000 1.341 553 A HN 0.721 nan 8.150 nan 0.000 0.428 554 L N 0.717 121.480 121.223 -0.767 0.000 2.472 554 L HA 0.268 4.607 4.340 -0.001 0.000 0.260 554 L C -2.025 174.405 176.870 -0.734 0.000 1.209 554 L CA -1.616 52.502 54.840 -1.204 0.000 0.817 554 L CB 0.263 41.716 42.059 -1.010 0.000 1.106 554 L HN 0.392 nan 8.230 nan 0.000 0.479 555 P HA -0.130 nan 4.420 nan 0.000 0.264 555 P C -0.822 176.297 177.300 -0.301 0.000 1.179 555 P CA 0.467 63.259 63.100 -0.513 0.000 0.763 555 P CB 0.086 31.525 31.700 -0.435 0.000 0.806 556 W N 0.226 121.465 121.300 -0.101 0.000 2.589 556 W HA -0.219 4.441 4.660 -0.002 0.000 0.272 556 W C 0.345 176.811 176.519 -0.088 0.000 1.060 556 W CA 0.281 57.581 57.345 -0.075 0.000 0.533 556 W CB -2.636 26.777 29.460 -0.078 0.000 2.084 556 W HN 0.466 nan 8.180 nan 0.000 1.371 557 Q N 0.086 119.892 119.800 0.010 0.000 2.465 557 Q HA 0.129 4.468 4.340 -0.001 0.000 0.361 557 Q C 1.127 177.126 176.000 -0.001 0.000 0.957 557 Q CA -0.170 55.626 55.803 -0.011 0.000 1.065 557 Q CB 0.311 29.007 28.738 -0.070 0.000 1.274 557 Q HN 0.218 nan 8.270 nan 0.000 0.421 558 E N 1.096 121.312 120.200 0.027 0.000 2.118 558 E HA -0.229 4.120 4.350 -0.001 0.000 0.195 558 E C 1.168 177.801 176.600 0.055 0.000 0.992 558 E CA 1.417 57.848 56.400 0.052 0.000 0.804 558 E CB 0.213 29.972 29.700 0.098 0.000 0.741 558 E HN 0.396 nan 8.360 nan 0.000 0.458 559 E N -0.120 120.064 120.200 -0.028 0.000 2.106 559 E HA -0.138 4.211 4.350 -0.001 0.000 0.192 559 E C 1.807 178.453 176.600 0.076 0.000 0.984 559 E CA 0.559 56.907 56.400 -0.086 0.000 0.806 559 E CB -0.136 29.366 29.700 -0.329 0.000 0.750 559 E HN 0.108 nan 8.360 nan 0.000 0.458 560 L N 0.313 121.566 121.223 0.051 0.000 2.072 560 L HA -0.098 4.242 4.340 -0.001 0.000 0.205 560 L C 2.180 179.138 176.870 0.147 0.000 1.079 560 L CA 1.438 56.328 54.840 0.083 0.000 0.752 560 L CB -0.799 41.285 42.059 0.041 0.000 0.906 560 L HN 0.300 nan 8.230 nan 0.000 0.436 561 C N -0.488 118.891 119.300 0.132 0.000 2.393 561 C HA -0.225 4.235 4.460 -0.001 0.000 0.276 561 C C 2.815 177.922 174.990 0.196 0.000 1.215 561 C CA 1.400 60.521 59.018 0.172 0.000 1.743 561 C CB -1.080 26.724 27.740 0.106 0.000 2.044 561 C HN 0.600 nan 8.230 nan 0.000 0.464 562 L N 0.582 121.924 121.223 0.198 0.000 2.083 562 L HA -0.121 4.218 4.340 -0.001 0.000 0.209 562 L C 3.002 180.098 176.870 0.378 0.000 1.083 562 L CA 1.615 56.613 54.840 0.263 0.000 0.752 562 L CB -0.855 41.343 42.059 0.231 0.000 0.899 562 L HN 0.378 nan 8.230 nan 0.000 0.433 563 R N 0.421 121.136 120.500 0.359 0.000 2.096 563 R HA -0.226 4.114 4.340 -0.001 0.000 0.235 563 R C 2.283 178.695 176.300 0.187 0.000 1.127 563 R CA 1.835 58.055 56.100 0.200 0.000 0.968 563 R CB -0.644 29.730 30.300 0.123 0.000 0.861 563 R HN 0.384 nan 8.270 nan 0.000 0.440 564 F N 0.663 120.630 119.950 0.029 0.000 2.163 564 F HA -0.119 4.408 4.527 0.000 0.000 0.297 564 F C 2.300 178.091 175.800 -0.015 0.000 1.094 564 F CA 1.063 59.044 58.000 -0.032 0.000 1.290 564 F CB -0.028 38.948 39.000 -0.041 0.000 1.017 564 F HN -0.061 nan 8.300 nan 0.000 0.483 565 M N 0.139 119.666 119.600 -0.122 0.000 2.108 565 M HA -0.236 4.244 4.480 -0.001 0.000 0.261 565 M C 2.312 178.559 176.300 -0.089 0.000 1.066 565 M CA 1.815 57.003 55.300 -0.186 0.000 1.107 565 M CB -0.560 32.006 32.600 -0.056 0.000 1.356 565 M HN 0.113 nan 8.290 nan 0.000 0.406 566 R N 0.446 120.964 120.500 0.030 0.000 2.081 566 R HA -0.217 4.122 4.340 -0.001 0.000 0.235 566 R C 2.025 178.321 176.300 -0.007 0.000 1.131 566 R CA 1.950 58.078 56.100 0.046 0.000 0.960 566 R CB -0.107 30.239 30.300 0.076 0.000 0.856 566 R HN 0.238 nan 8.270 nan 0.000 0.436 567 E N -0.096 120.095 120.200 -0.015 0.000 2.051 567 E HA -0.141 4.208 4.350 -0.001 0.000 0.192 567 E C 1.854 178.420 176.600 -0.057 0.000 0.991 567 E CA 1.707 58.104 56.400 -0.006 0.000 0.799 567 E CB -0.161 29.561 29.700 0.036 0.000 0.748 567 E HN 0.182 nan 8.360 nan 0.000 0.449 568 V N 1.006 120.813 119.914 -0.179 0.000 2.287 568 V HA -0.279 3.841 4.120 -0.001 0.000 0.248 568 V C 2.464 178.496 176.094 -0.105 0.000 1.053 568 V CA 2.329 64.511 62.300 -0.197 0.000 1.027 568 V CB -0.646 30.953 31.823 -0.374 0.000 0.646 568 V HN 0.419 nan 8.190 nan 0.000 0.447 569 E N -0.456 119.693 120.200 -0.085 0.000 2.085 569 E HA -0.301 4.049 4.350 -0.001 0.000 0.194 569 E C 2.359 178.951 176.600 -0.015 0.000 0.994 569 E CA 1.468 57.845 56.400 -0.038 0.000 0.801 569 E CB -0.156 29.534 29.700 -0.015 0.000 0.743 569 E HN 0.514 nan 8.360 nan 0.000 0.453 570 Q N 0.546 120.341 119.800 -0.008 0.000 2.084 570 Q HA -0.142 4.198 4.340 -0.001 0.000 0.202 570 Q C 2.311 178.316 176.000 0.007 0.000 0.978 570 Q CA 1.237 57.044 55.803 0.007 0.000 0.844 570 Q CB -0.145 28.602 28.738 0.014 0.000 0.898 570 Q HN 0.409 nan 8.270 nan 0.000 0.426 571 L N -0.541 120.684 121.223 0.003 0.000 2.131 571 L HA -0.109 4.231 4.340 -0.001 0.000 0.206 571 L C 2.361 179.230 176.870 -0.002 0.000 1.087 571 L CA 0.641 55.486 54.840 0.008 0.000 0.767 571 L CB -0.268 41.800 42.059 0.016 0.000 0.917 571 L HN 0.195 nan 8.230 nan 0.000 0.441 572 M N -1.088 118.503 119.600 -0.014 0.000 2.466 572 M HA 0.068 4.548 4.480 -0.001 0.000 0.265 572 M C 0.946 177.242 176.300 -0.005 0.000 1.122 572 M CA 0.865 56.156 55.300 -0.015 0.000 1.157 572 M CB -0.522 32.059 32.600 -0.032 0.000 1.352 572 M HN 0.258 nan 8.290 nan 0.000 0.464 573 T N -2.167 112.386 114.554 -0.001 0.000 3.542 573 T HA 0.354 4.703 4.350 -0.001 0.000 0.276 573 T C -2.380 172.329 174.700 0.015 0.000 1.412 573 T CA -1.269 60.838 62.100 0.011 0.000 1.664 573 T CB 0.992 69.869 68.868 0.015 0.000 0.863 573 T HN -0.068 nan 8.240 nan 0.000 0.661 574 P HA -0.095 nan 4.420 nan 0.000 0.225 574 P C 1.000 178.312 177.300 0.020 0.000 1.148 574 P CA 1.059 64.168 63.100 0.016 0.000 0.779 574 P CB 0.144 31.853 31.700 0.014 0.000 0.780 575 Q N -0.764 119.050 119.800 0.022 0.000 2.432 575 Q HA 0.058 4.397 4.340 -0.001 0.000 0.205 575 Q C 1.899 177.916 176.000 0.029 0.000 0.945 575 Q CA 0.674 56.492 55.803 0.025 0.000 0.924 575 Q CB -0.514 28.239 28.738 0.025 0.000 1.016 575 Q HN 0.156 nan 8.270 nan 0.000 0.503 576 K N 0.614 121.033 120.400 0.031 0.000 2.211 576 K HA -0.044 4.276 4.320 -0.001 0.000 0.203 576 K C 0.078 176.699 176.600 0.035 0.000 1.050 576 K CA 0.547 56.856 56.287 0.036 0.000 0.945 576 K CB 0.024 32.545 32.500 0.036 0.000 0.732 576 K HN 0.383 nan 8.250 nan 0.000 0.451 577 Q N 0.000 119.818 119.800 0.030 0.000 2.315 577 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 577 Q CA 0.000 55.821 55.803 0.030 0.000 1.022 577 Q CB 0.000 28.757 28.738 0.031 0.000 1.108 577 Q HN 0.000 nan 8.270 nan 0.000 0.481