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 2exw_1_B DATA FIRST_RESID 18 DATA SEQUENCE RRQLIRQLLE RDKTPLAILF MAAVVGTLVG LAAVAFDKGV AWLQNQRMGA DATA SEQUENCE LVHTADNYPL LLTVAFLCSA VLAMFGYFLV RKYAPEAGGS GIPEIEGALE DATA SEQUENCE DQRPVRWWRV LPVKFFGGLG TLGGGMVLGR EGPTVQIGGN IGRMVLDIFR DATA SEQUENCE LKGDEARHTL LATGAAAGLA AAFNAPLAGI LFIIEEMRPQ FRYTLISIKA DATA SEQUENCE VFIGVIMSTI MYRIFNHEVA LIDVGKLSDA PLNTLWLYLI LGIIFGIFGP DATA SEQUENCE IFNKWVLGMQ DLLHRVHGGN ITKWVLMGGA IGGLCGLLGF VAPATSGGGF DATA SEQUENCE NLIPIATAGN FSMGMLVFIF VARVITTLLC FSSGAPGGIF APMLALGTVL DATA SEQUENCE GTAFGMVAVE LFPQYHLEAG TFAIAGMGAL LAASIRAPLT GIILVLEMTD DATA SEQUENCE NYQLILPMII TGLGATLLAQ FTGGKPLYSA ILARTLAKQE A 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 18 R HA 0.000 nan 4.340 nan 0.000 0.208 18 R C 0.000 176.295 176.300 -0.008 0.000 0.893 18 R CA 0.000 56.096 56.100 -0.007 0.000 0.921 18 R CB 0.000 30.297 30.300 -0.004 0.000 0.687 19 R N 2.286 122.782 120.500 -0.008 0.000 2.303 19 R HA -0.027 4.312 4.340 -0.002 0.000 0.225 19 R C 1.892 178.186 176.300 -0.010 0.000 1.114 19 R CA 2.178 58.273 56.100 -0.007 0.000 1.007 19 R CB -0.277 30.019 30.300 -0.007 0.000 0.861 19 R HN 0.495 nan 8.270 nan 0.000 0.471 20 Q N -0.793 119.000 119.800 -0.013 0.000 2.123 20 Q HA -0.089 4.250 4.340 -0.002 0.000 0.196 20 Q C 1.669 177.658 176.000 -0.018 0.000 0.958 20 Q CA 0.961 56.754 55.803 -0.018 0.000 0.841 20 Q CB -0.123 28.601 28.738 -0.023 0.000 0.915 20 Q HN 0.337 nan 8.270 nan 0.000 0.455 21 L N 1.443 122.656 121.223 -0.017 0.000 1.971 21 L HA -0.231 4.108 4.340 -0.002 0.000 0.215 21 L C 2.197 179.061 176.870 -0.010 0.000 1.072 21 L CA 1.827 56.658 54.840 -0.015 0.000 0.758 21 L CB -0.687 41.366 42.059 -0.010 0.000 0.889 21 L HN 0.362 nan 8.230 nan 0.000 0.433 22 I N -1.006 119.560 120.570 -0.008 0.000 2.381 22 I HA -0.358 3.811 4.170 -0.002 0.000 0.255 22 I C 2.575 178.688 176.117 -0.006 0.000 1.140 22 I CA 1.406 62.703 61.300 -0.005 0.000 1.404 22 I CB -0.475 37.522 38.000 -0.005 0.000 1.075 22 I HN 0.329 nan 8.210 nan 0.000 0.433 23 R N 1.336 121.831 120.500 -0.008 0.000 2.055 23 R HA -0.105 4.234 4.340 -0.002 0.000 0.226 23 R C 2.164 178.459 176.300 -0.008 0.000 1.135 23 R CA 1.582 57.678 56.100 -0.008 0.000 0.959 23 R CB -0.536 29.757 30.300 -0.011 0.000 0.854 23 R HN 0.361 nan 8.270 nan 0.000 0.431 24 Q N 0.249 120.042 119.800 -0.012 0.000 2.050 24 Q HA -0.106 4.233 4.340 -0.002 0.000 0.202 24 Q C 2.190 178.189 176.000 -0.002 0.000 0.980 24 Q CA 1.800 57.597 55.803 -0.010 0.000 0.840 24 Q CB -0.250 28.476 28.738 -0.021 0.000 0.898 24 Q HN 0.303 nan 8.270 nan 0.000 0.424 25 L N 0.513 121.735 121.223 -0.001 0.000 1.963 25 L HA -0.272 4.067 4.340 -0.002 0.000 0.220 25 L C 2.339 179.210 176.870 0.002 0.000 1.076 25 L CA 1.421 56.262 54.840 0.002 0.000 0.772 25 L CB -0.796 41.264 42.059 0.001 0.000 0.892 25 L HN 0.295 nan 8.230 nan 0.000 0.435 26 L N -0.631 120.592 121.223 -0.000 0.000 2.447 26 L HA -0.170 4.169 4.340 -0.002 0.000 0.225 26 L C 2.062 178.932 176.870 0.000 0.000 1.148 26 L CA 0.690 55.529 54.840 -0.001 0.000 0.808 26 L CB -0.389 41.669 42.059 -0.002 0.000 0.928 26 L HN 0.318 nan 8.230 nan 0.000 0.448 27 E N -0.469 119.732 120.200 0.002 0.000 2.498 27 E HA 0.090 4.439 4.350 -0.002 0.000 0.203 27 E C 0.641 177.247 176.600 0.010 0.000 1.013 27 E CA -0.120 56.282 56.400 0.004 0.000 0.927 27 E CB 0.328 30.030 29.700 0.003 0.000 1.012 27 E HN 0.343 nan 8.360 nan 0.000 0.482 28 R N 1.795 122.302 120.500 0.011 0.000 2.811 28 R HA -0.084 4.255 4.340 -0.002 0.000 0.265 28 R C -0.209 176.099 176.300 0.013 0.000 1.026 28 R CA 0.291 56.403 56.100 0.019 0.000 1.142 28 R CB 0.229 30.540 30.300 0.018 0.000 1.027 28 R HN -0.168 nan 8.270 nan 0.000 0.465 29 D N 1.701 122.111 120.400 0.018 0.000 2.890 29 D HA -0.167 4.472 4.640 -0.002 0.000 0.226 29 D C -1.297 175.006 176.300 0.005 0.000 1.207 29 D CA 1.304 55.309 54.000 0.008 0.000 0.764 29 D CB -0.367 40.430 40.800 -0.006 0.000 0.948 29 D HN 0.491 nan 8.370 nan 0.000 0.404 30 K N 1.136 121.544 120.400 0.012 0.000 2.920 30 K HA 0.215 4.534 4.320 -0.002 0.000 0.175 30 K C -0.550 176.059 176.600 0.016 0.000 1.099 30 K CA -0.583 55.710 56.287 0.010 0.000 0.939 30 K CB 1.116 33.621 32.500 0.009 0.000 1.148 30 K HN 0.014 nan 8.250 nan 0.000 0.613 31 T N 2.558 117.121 114.554 0.015 0.000 2.817 31 T HA 0.226 4.575 4.350 -0.002 0.000 0.293 31 T C -2.353 172.359 174.700 0.020 0.000 0.964 31 T CA -1.483 60.629 62.100 0.021 0.000 1.085 31 T CB 0.806 69.688 68.868 0.022 0.000 0.921 31 T HN 0.108 nan 8.240 nan 0.000 0.502 32 P HA 0.006 nan 4.420 nan 0.000 0.255 32 P C 1.039 178.355 177.300 0.026 0.000 1.161 32 P CA 0.059 63.172 63.100 0.021 0.000 0.768 32 P CB 0.290 32.004 31.700 0.023 0.000 0.746 33 L N 3.981 125.217 121.223 0.022 0.000 2.137 33 L HA -0.322 4.017 4.340 -0.002 0.000 0.213 33 L C 1.991 178.897 176.870 0.060 0.000 1.085 33 L CA 2.099 56.958 54.840 0.031 0.000 0.760 33 L CB -0.417 41.647 42.059 0.007 0.000 0.893 33 L HN 0.433 nan 8.230 nan 0.000 0.434 34 A N -0.186 122.663 122.820 0.048 0.000 1.933 34 A HA -0.197 4.122 4.320 -0.002 0.000 0.218 34 A C 2.151 179.779 177.584 0.073 0.000 1.175 34 A CA 1.771 53.852 52.037 0.072 0.000 0.628 34 A CB -0.675 18.351 19.000 0.043 0.000 0.814 34 A HN 0.519 nan 8.150 nan 0.000 0.444 35 I N -0.263 120.335 120.570 0.046 0.000 2.252 35 I HA -0.244 3.925 4.170 -0.002 0.000 0.245 35 I C 2.342 178.472 176.117 0.021 0.000 1.102 35 I CA 1.064 62.380 61.300 0.027 0.000 1.385 35 I CB -0.276 37.740 38.000 0.025 0.000 1.064 35 I HN 0.333 nan 8.210 nan 0.000 0.414 36 L N -0.365 120.884 121.223 0.042 0.000 1.994 36 L HA -0.246 4.093 4.340 -0.002 0.000 0.208 36 L C 2.583 179.479 176.870 0.044 0.000 1.071 36 L CA 1.382 56.248 54.840 0.042 0.000 0.745 36 L CB -0.826 41.267 42.059 0.056 0.000 0.892 36 L HN 0.192 nan 8.230 nan 0.000 0.431 37 F N 0.111 120.031 119.950 -0.051 0.000 2.373 37 F HA -0.207 4.318 4.527 -0.002 0.000 0.300 37 F C 2.323 178.063 175.800 -0.100 0.000 1.080 37 F CA 1.210 59.166 58.000 -0.073 0.000 1.417 37 F CB -0.020 38.925 39.000 -0.091 0.000 1.070 37 F HN 0.017 nan 8.300 nan 0.000 0.546 38 M N -0.473 118.968 119.600 -0.265 0.000 2.357 38 M HA 0.135 4.614 4.480 -0.002 0.000 0.266 38 M C 2.526 178.676 176.300 -0.250 0.000 1.095 38 M CA 1.157 56.253 55.300 -0.340 0.000 1.156 38 M CB -1.621 30.880 32.600 -0.165 0.000 1.365 38 M HN 0.225 nan 8.290 nan 0.000 0.447 39 A N 0.524 123.254 122.820 -0.149 0.000 1.940 39 A HA -0.033 4.286 4.320 -0.002 0.000 0.219 39 A C 2.385 179.892 177.584 -0.129 0.000 1.176 39 A CA 2.072 54.049 52.037 -0.100 0.000 0.631 39 A CB -0.841 18.135 19.000 -0.041 0.000 0.814 39 A HN 0.451 nan 8.150 nan 0.000 0.446 40 A N -0.859 121.857 122.820 -0.174 0.000 1.933 40 A HA -0.018 4.301 4.320 -0.002 0.000 0.218 40 A C 2.330 179.773 177.584 -0.236 0.000 1.175 40 A CA 1.861 53.792 52.037 -0.176 0.000 0.628 40 A CB -0.904 17.990 19.000 -0.176 0.000 0.814 40 A HN 0.882 nan 8.150 nan 0.000 0.444 41 V N -0.853 118.833 119.914 -0.379 0.000 2.649 41 V HA -0.087 4.032 4.120 -0.002 0.000 0.248 41 V C 2.292 178.273 176.094 -0.187 0.000 1.054 41 V CA 1.750 63.857 62.300 -0.321 0.000 1.073 41 V CB -0.103 31.439 31.823 -0.470 0.000 0.699 41 V HN 0.280 nan 8.190 nan 0.000 0.463 42 V N 1.156 120.967 119.914 -0.172 0.000 2.237 42 V HA -0.153 3.966 4.120 -0.002 0.000 0.245 42 V C 2.722 178.755 176.094 -0.101 0.000 1.046 42 V CA 2.400 64.628 62.300 -0.121 0.000 1.007 42 V CB -1.485 30.274 31.823 -0.106 0.000 0.638 42 V HN 0.624 nan 8.190 nan 0.000 0.445 43 G N -0.435 108.311 108.800 -0.090 0.000 2.586 43 G HA2 -0.342 3.617 3.960 -0.002 0.000 0.218 43 G HA3 -0.342 3.617 3.960 -0.002 0.000 0.218 43 G C 1.653 176.522 174.900 -0.051 0.000 1.216 43 G CA 1.851 46.914 45.100 -0.062 0.000 0.786 43 G HN 0.449 nan 8.290 nan 0.000 0.583 44 T N 1.309 115.833 114.554 -0.051 0.000 2.714 44 T HA -0.163 4.186 4.350 -0.002 0.000 0.268 44 T C 2.348 177.026 174.700 -0.037 0.000 1.036 44 T CA 1.409 63.492 62.100 -0.029 0.000 1.148 44 T CB -0.216 68.631 68.868 -0.036 0.000 0.856 44 T HN 0.186 nan 8.240 nan 0.000 0.462 45 L N 0.172 121.357 121.223 -0.063 0.000 2.068 45 L HA -0.014 4.325 4.340 -0.002 0.000 0.204 45 L C 2.698 179.520 176.870 -0.081 0.000 1.076 45 L CA 0.693 55.487 54.840 -0.076 0.000 0.753 45 L CB -0.659 41.344 42.059 -0.093 0.000 0.910 45 L HN 0.134 nan 8.230 nan 0.000 0.439 46 V N 0.571 120.437 119.914 -0.079 0.000 2.332 46 V HA -0.248 3.871 4.120 -0.002 0.000 0.248 46 V C 2.648 178.714 176.094 -0.046 0.000 1.055 46 V CA 2.070 64.325 62.300 -0.075 0.000 1.038 46 V CB -1.483 30.294 31.823 -0.077 0.000 0.651 46 V HN 0.582 nan 8.190 nan 0.000 0.450 47 G N 0.111 108.896 108.800 -0.025 0.000 2.480 47 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.216 47 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.216 47 G C 1.558 176.450 174.900 -0.014 0.000 1.200 47 G CA 1.216 46.324 45.100 0.014 0.000 0.782 47 G HN 0.468 nan 8.290 nan 0.000 0.554 48 L N 0.828 122.017 121.223 -0.057 0.000 2.079 48 L HA -0.128 4.211 4.340 -0.002 0.000 0.210 48 L C 3.431 180.230 176.870 -0.118 0.000 1.081 48 L CA 1.069 55.826 54.840 -0.138 0.000 0.752 48 L CB -0.579 41.412 42.059 -0.114 0.000 0.896 48 L HN 0.339 nan 8.230 nan 0.000 0.433 49 A N 0.362 123.135 122.820 -0.078 0.000 1.841 49 A HA -0.220 4.099 4.320 -0.002 0.000 0.216 49 A C 2.589 180.224 177.584 0.085 0.000 1.199 49 A CA 2.018 54.024 52.037 -0.051 0.000 0.621 49 A CB -1.049 17.895 19.000 -0.093 0.000 0.835 49 A HN 0.381 nan 8.150 nan 0.000 0.445 50 A N -0.860 122.005 122.820 0.074 0.000 1.927 50 A HA -0.101 4.218 4.320 -0.002 0.000 0.220 50 A C 2.288 179.997 177.584 0.207 0.000 1.185 50 A CA 2.126 54.257 52.037 0.157 0.000 0.639 50 A CB -1.183 17.868 19.000 0.084 0.000 0.820 50 A HN 0.472 nan 8.150 nan 0.000 0.451 51 V N -0.371 119.604 119.914 0.102 0.000 2.255 51 V HA -0.294 3.825 4.120 -0.002 0.000 0.247 51 V C 3.089 179.196 176.094 0.023 0.000 1.051 51 V CA 2.226 64.547 62.300 0.035 0.000 1.018 51 V CB -1.210 30.473 31.823 -0.233 0.000 0.641 51 V HN 0.671 nan 8.190 nan 0.000 0.445 52 A N -0.651 122.175 122.820 0.010 0.000 1.883 52 A HA -0.290 4.029 4.320 -0.002 0.000 0.217 52 A C 2.122 179.826 177.584 0.199 0.000 1.186 52 A CA 2.338 54.421 52.037 0.076 0.000 0.624 52 A CB -0.835 18.215 19.000 0.083 0.000 0.822 52 A HN 0.561 nan 8.150 nan 0.000 0.444 53 F N 1.148 121.205 119.950 0.177 0.000 2.069 53 F HA -0.226 4.300 4.527 -0.002 0.000 0.298 53 F C 1.883 177.647 175.800 -0.059 0.000 1.113 53 F CA 2.314 60.302 58.000 -0.019 0.000 1.214 53 F CB -0.656 38.365 39.000 0.034 0.000 0.978 53 F HN 0.365 nan 8.300 nan 0.000 0.474 54 D N 0.136 120.549 120.400 0.022 0.000 2.106 54 D HA -0.210 4.429 4.640 -0.002 0.000 0.191 54 D C 2.147 178.398 176.300 -0.082 0.000 0.997 54 D CA 1.660 55.635 54.000 -0.041 0.000 0.834 54 D CB -0.073 40.823 40.800 0.160 0.000 0.956 54 D HN 0.073 nan 8.370 nan 0.000 0.448 55 K N 0.044 120.432 120.400 -0.020 0.000 2.032 55 K HA -0.074 4.245 4.320 -0.002 0.000 0.209 55 K C 2.221 178.816 176.600 -0.009 0.000 1.048 55 K CA 1.282 57.571 56.287 0.004 0.000 0.927 55 K CB -1.088 31.416 32.500 0.006 0.000 0.712 55 K HN 0.305 nan 8.250 nan 0.000 0.441 56 G N 1.422 110.167 108.800 -0.092 0.000 2.480 56 G HA2 -0.249 3.710 3.960 -0.002 0.000 0.216 56 G HA3 -0.249 3.710 3.960 -0.002 0.000 0.216 56 G C 1.758 176.609 174.900 -0.082 0.000 1.200 56 G CA 1.414 46.455 45.100 -0.097 0.000 0.782 56 G HN 0.124 nan 8.290 nan 0.000 0.554 57 V N 1.954 121.678 119.914 -0.316 0.000 2.231 57 V HA -0.275 3.844 4.120 -0.002 0.000 0.250 57 V C 3.383 179.433 176.094 -0.073 0.000 1.058 57 V CA 2.522 64.663 62.300 -0.265 0.000 1.022 57 V CB -1.311 30.268 31.823 -0.406 0.000 0.640 57 V HN 0.537 nan 8.190 nan 0.000 0.445 58 A N -0.948 121.851 122.820 -0.034 0.000 1.892 58 A HA -0.331 3.988 4.320 -0.002 0.000 0.218 58 A C 1.969 179.599 177.584 0.076 0.000 1.188 58 A CA 2.379 54.433 52.037 0.029 0.000 0.631 58 A CB -1.161 17.871 19.000 0.053 0.000 0.822 58 A HN 0.766 nan 8.150 nan 0.000 0.447 59 W N 0.518 121.783 121.300 -0.058 0.000 2.342 59 W HA -0.176 4.483 4.660 -0.002 0.000 0.297 59 W C 1.775 178.271 176.519 -0.039 0.000 1.213 59 W CA 1.993 59.316 57.345 -0.037 0.000 1.251 59 W CB -0.200 29.241 29.460 -0.033 0.000 1.136 59 W HN 0.288 nan 8.180 nan 0.000 0.526 60 L N -0.172 121.104 121.223 0.089 0.000 2.023 60 L HA -0.219 4.120 4.340 -0.002 0.000 0.205 60 L C 2.689 179.464 176.870 -0.159 0.000 1.073 60 L CA 1.548 56.340 54.840 -0.081 0.000 0.745 60 L CB -1.215 40.869 42.059 0.041 0.000 0.900 60 L HN -0.017 nan 8.230 nan 0.000 0.435 61 Q N -0.155 119.594 119.800 -0.084 0.000 2.152 61 Q HA -0.258 4.080 4.340 -0.002 0.000 0.206 61 Q C 2.074 178.011 176.000 -0.104 0.000 0.985 61 Q CA 1.777 57.540 55.803 -0.068 0.000 0.863 61 Q CB -0.306 28.415 28.738 -0.028 0.000 0.904 61 Q HN 0.472 nan 8.270 nan 0.000 0.422 62 N N 0.179 118.790 118.700 -0.148 0.000 2.106 62 N HA -0.188 4.551 4.740 -0.002 0.000 0.188 62 N C 1.597 176.949 175.510 -0.262 0.000 1.029 62 N CA 1.099 54.043 53.050 -0.177 0.000 0.848 62 N CB 0.125 38.503 38.487 -0.182 0.000 1.007 62 N HN 0.214 nan 8.380 nan 0.000 0.423 63 Q N 0.767 120.298 119.800 -0.448 0.000 2.297 63 Q HA -0.084 4.255 4.340 -0.002 0.000 0.208 63 Q C 1.962 177.807 176.000 -0.257 0.000 0.981 63 Q CA 0.945 56.464 55.803 -0.474 0.000 0.876 63 Q CB -0.304 27.985 28.738 -0.748 0.000 0.921 63 Q HN 0.505 nan 8.270 nan 0.000 0.446 64 R N -0.947 119.440 120.500 -0.188 0.000 2.119 64 R HA 0.035 4.374 4.340 -0.002 0.000 0.222 64 R C 2.046 178.304 176.300 -0.069 0.000 1.088 64 R CA 0.643 56.679 56.100 -0.106 0.000 0.984 64 R CB -0.064 30.192 30.300 -0.073 0.000 0.884 64 R HN 0.149 nan 8.270 nan 0.000 0.447 65 M N -0.178 119.383 119.600 -0.066 0.000 2.099 65 M HA -0.008 4.471 4.480 -0.002 0.000 0.262 65 M C 1.784 178.058 176.300 -0.044 0.000 1.067 65 M CA 1.371 56.657 55.300 -0.025 0.000 1.124 65 M CB -0.655 31.934 32.600 -0.019 0.000 1.353 65 M HN 0.140 nan 8.290 nan 0.000 0.410 66 G N -1.284 107.462 108.800 -0.090 0.000 3.352 66 G HA2 0.324 4.283 3.960 -0.002 0.000 0.236 66 G HA3 0.324 4.283 3.960 -0.002 0.000 0.236 66 G C 0.801 175.645 174.900 -0.093 0.000 1.324 66 G CA 0.691 45.723 45.100 -0.113 0.000 1.404 66 G HN 0.552 nan 8.290 nan 0.000 0.542 67 A N -0.801 121.995 122.820 -0.041 0.000 2.295 67 A HA 0.356 4.675 4.320 -0.002 0.000 0.193 67 A C 1.746 179.341 177.584 0.018 0.000 1.512 67 A CA -0.075 51.970 52.037 0.014 0.000 1.103 67 A CB 0.219 19.204 19.000 -0.024 0.000 1.331 67 A HN 0.263 nan 8.150 nan 0.000 0.501 68 L N -0.296 120.920 121.223 -0.012 0.000 2.477 68 L HA 0.102 4.440 4.340 -0.002 0.000 0.220 68 L C 1.963 178.845 176.870 0.021 0.000 1.106 68 L CA 0.369 55.188 54.840 -0.036 0.000 0.851 68 L CB 0.136 42.166 42.059 -0.048 0.000 0.994 68 L HN 0.200 nan 8.230 nan 0.000 0.462 69 V N -0.758 119.172 119.914 0.027 0.000 2.591 69 V HA -0.192 3.927 4.120 -0.002 0.000 0.249 69 V C 2.329 178.461 176.094 0.064 0.000 1.053 69 V CA 1.266 63.582 62.300 0.026 0.000 1.068 69 V CB -0.497 31.308 31.823 -0.030 0.000 0.689 69 V HN 0.426 nan 8.190 nan 0.000 0.462 70 H N 0.706 119.767 119.070 -0.017 0.000 2.546 70 H HA 0.002 4.557 4.556 -0.002 0.000 0.277 70 H C 1.692 177.008 175.328 -0.020 0.000 1.004 70 H CA 1.451 57.488 56.048 -0.018 0.000 1.231 70 H CB 0.050 29.796 29.762 -0.027 0.000 1.382 70 H HN 0.645 nan 8.280 nan 0.000 0.580 71 T N -4.668 109.941 114.554 0.092 0.000 3.475 71 T HA 0.460 4.809 4.350 -0.002 0.000 0.310 71 T C 1.733 176.443 174.700 0.018 0.000 0.963 71 T CA 0.225 62.339 62.100 0.023 0.000 0.985 71 T CB -0.202 68.650 68.868 -0.027 0.000 1.198 71 T HN 0.135 nan 8.240 nan 0.000 0.508 72 A N 2.753 125.603 122.820 0.049 0.000 1.958 72 A HA -0.192 4.127 4.320 -0.002 0.000 0.221 72 A C 1.790 179.423 177.584 0.082 0.000 1.178 72 A CA 2.381 54.462 52.037 0.073 0.000 0.642 72 A CB -1.072 17.980 19.000 0.087 0.000 0.816 72 A HN 0.851 nan 8.150 nan 0.000 0.453 73 D N 0.293 120.732 120.400 0.064 0.000 2.251 73 D HA -0.228 4.411 4.640 -0.002 0.000 0.215 73 D C 1.004 177.350 176.300 0.077 0.000 1.047 73 D CA 1.140 55.177 54.000 0.063 0.000 0.920 73 D CB -0.745 40.081 40.800 0.043 0.000 1.186 73 D HN 0.591 nan 8.370 nan 0.000 0.482 74 N N -0.688 118.044 118.700 0.054 0.000 2.440 74 N HA -0.092 4.647 4.740 -0.002 0.000 0.265 74 N C 0.025 175.586 175.510 0.085 0.000 1.239 74 N CA -0.350 52.738 53.050 0.063 0.000 0.909 74 N CB 0.318 38.819 38.487 0.024 0.000 1.066 74 N HN 0.281 nan 8.380 nan 0.000 0.474 75 Y N 6.526 126.827 120.300 0.003 0.000 2.114 75 Y HA 0.101 4.650 4.550 -0.002 0.000 0.284 75 Y C -1.154 174.732 175.900 -0.023 0.000 1.119 75 Y CA 1.343 59.447 58.100 0.007 0.000 1.108 75 Y CB -0.799 37.684 38.460 0.038 0.000 0.995 75 Y HN 0.615 nan 8.280 nan 0.000 0.491 76 P HA -0.207 nan 4.420 nan 0.000 0.216 76 P C 1.660 178.893 177.300 -0.112 0.000 1.150 76 P CA 1.672 64.758 63.100 -0.022 0.000 0.843 76 P CB -0.168 31.570 31.700 0.064 0.000 0.787 77 L N -1.230 119.949 121.223 -0.073 0.000 2.275 77 L HA -0.076 4.263 4.340 -0.002 0.000 0.215 77 L C 1.864 178.649 176.870 -0.140 0.000 1.119 77 L CA 1.660 56.448 54.840 -0.086 0.000 0.790 77 L CB -1.255 40.773 42.059 -0.051 0.000 0.919 77 L HN -0.059 nan 8.230 nan 0.000 0.443 78 L N -0.931 120.170 121.223 -0.204 0.000 2.095 78 L HA -0.090 4.249 4.340 -0.002 0.000 0.204 78 L C 2.297 178.896 176.870 -0.451 0.000 1.080 78 L CA 1.600 56.248 54.840 -0.320 0.000 0.759 78 L CB -0.600 41.250 42.059 -0.349 0.000 0.914 78 L HN 0.334 nan 8.230 nan 0.000 0.439 79 L N -0.748 120.179 121.223 -0.493 0.000 2.201 79 L HA -0.178 4.161 4.340 -0.002 0.000 0.212 79 L C 2.385 179.134 176.870 -0.201 0.000 1.105 79 L CA 1.095 55.691 54.840 -0.407 0.000 0.775 79 L CB -0.709 41.117 42.059 -0.389 0.000 0.913 79 L HN 0.286 nan 8.230 nan 0.000 0.440 80 T N 0.005 114.455 114.554 -0.173 0.000 2.698 80 T HA -0.137 4.212 4.350 -0.002 0.000 0.260 80 T C 1.955 176.650 174.700 -0.009 0.000 1.044 80 T CA 1.682 63.722 62.100 -0.101 0.000 1.149 80 T CB -0.167 68.637 68.868 -0.107 0.000 0.864 80 T HN 0.326 nan 8.240 nan 0.000 0.419 81 V N 1.037 120.914 119.914 -0.062 0.000 2.469 81 V HA -0.054 4.065 4.120 -0.002 0.000 0.251 81 V C 2.567 178.642 176.094 -0.031 0.000 1.064 81 V CA 1.597 63.875 62.300 -0.037 0.000 1.066 81 V CB -1.562 30.219 31.823 -0.071 0.000 0.667 81 V HN 0.429 nan 8.190 nan 0.000 0.461 82 A N -0.134 122.634 122.820 -0.086 0.000 1.969 82 A HA -0.048 4.271 4.320 -0.002 0.000 0.218 82 A C 2.033 179.643 177.584 0.044 0.000 1.169 82 A CA 1.852 53.847 52.037 -0.069 0.000 0.635 82 A CB -0.679 18.217 19.000 -0.173 0.000 0.810 82 A HN 0.718 nan 8.150 nan 0.000 0.445 83 F N 0.299 120.205 119.950 -0.074 0.000 2.147 83 F HA 0.088 4.614 4.527 -0.002 0.000 0.291 83 F C 1.760 177.549 175.800 -0.019 0.000 1.093 83 F CA 1.114 59.094 58.000 -0.033 0.000 1.263 83 F CB -0.369 38.609 39.000 -0.035 0.000 1.036 83 F HN 0.073 nan 8.300 nan 0.000 0.481 84 L N -0.318 121.147 121.223 0.404 0.000 2.261 84 L HA -0.271 4.068 4.340 -0.002 0.000 0.216 84 L C 2.351 179.246 176.870 0.042 0.000 1.114 84 L CA 0.919 55.901 54.840 0.236 0.000 0.777 84 L CB -0.979 41.199 42.059 0.198 0.000 0.910 84 L HN 0.380 nan 8.230 nan 0.000 0.440 85 C N -1.469 117.834 119.300 0.005 0.000 2.505 85 C HA -0.044 4.415 4.460 -0.002 0.000 0.279 85 C C 2.990 177.953 174.990 -0.045 0.000 1.316 85 C CA 0.646 59.651 59.018 -0.022 0.000 1.720 85 C CB -0.231 27.491 27.740 -0.029 0.000 2.050 85 C HN 0.466 nan 8.230 nan 0.000 0.493 86 S N 1.170 116.821 115.700 -0.081 0.000 2.406 86 S HA -0.006 4.463 4.470 -0.002 0.000 0.228 86 S C 2.109 176.631 174.600 -0.130 0.000 1.020 86 S CA 1.078 59.225 58.200 -0.087 0.000 0.965 86 S CB -0.330 62.811 63.200 -0.098 0.000 0.798 86 S HN 0.679 nan 8.310 nan 0.000 0.488 87 A N 1.167 123.827 122.820 -0.267 0.000 1.873 87 A HA -0.006 4.313 4.320 -0.002 0.000 0.215 87 A C 2.248 179.789 177.584 -0.073 0.000 1.186 87 A CA 1.302 53.163 52.037 -0.294 0.000 0.616 87 A CB -0.835 17.861 19.000 -0.507 0.000 0.823 87 A HN 0.335 nan 8.150 nan 0.000 0.442 88 V N -0.084 119.815 119.914 -0.025 0.000 2.809 88 V HA -0.144 3.975 4.120 -0.002 0.000 0.256 88 V C 2.355 178.500 176.094 0.085 0.000 1.080 88 V CA 1.493 63.817 62.300 0.041 0.000 1.102 88 V CB -0.461 31.381 31.823 0.032 0.000 0.705 88 V HN 0.525 nan 8.190 nan 0.000 0.475 89 L N -0.535 120.726 121.223 0.063 0.000 2.202 89 L HA 0.064 4.403 4.340 -0.002 0.000 0.205 89 L C 2.639 179.636 176.870 0.212 0.000 1.083 89 L CA 1.116 56.021 54.840 0.108 0.000 0.790 89 L CB -0.587 41.502 42.059 0.050 0.000 0.942 89 L HN 0.321 nan 8.230 nan 0.000 0.452 90 A N -0.020 122.903 122.820 0.171 0.000 1.930 90 A HA -0.185 4.134 4.320 -0.002 0.000 0.217 90 A C 2.295 180.097 177.584 0.364 0.000 1.175 90 A CA 1.353 53.551 52.037 0.269 0.000 0.627 90 A CB -0.337 18.781 19.000 0.197 0.000 0.815 90 A HN 0.265 nan 8.150 nan 0.000 0.443 91 M N -1.836 117.906 119.600 0.237 0.000 2.066 91 M HA -0.096 4.383 4.480 -0.002 0.000 0.259 91 M C 2.168 178.668 176.300 0.333 0.000 1.074 91 M CA 2.014 57.449 55.300 0.224 0.000 1.114 91 M CB -0.682 31.995 32.600 0.128 0.000 1.306 91 M HN 0.509 nan 8.290 nan 0.000 0.411 92 F N 1.274 121.336 119.950 0.188 0.000 2.323 92 F HA -0.157 4.369 4.527 -0.002 0.000 0.301 92 F C 1.764 177.712 175.800 0.247 0.000 1.060 92 F CA 1.450 59.593 58.000 0.237 0.000 1.398 92 F CB -0.569 38.530 39.000 0.165 0.000 1.075 92 F HN 0.048 nan 8.300 nan 0.000 0.540 93 G N -0.808 108.216 108.800 0.374 0.000 2.518 93 G HA2 -0.220 3.738 3.960 -0.002 0.000 0.213 93 G HA3 -0.220 3.738 3.960 -0.002 0.000 0.213 93 G C 1.259 176.216 174.900 0.095 0.000 1.226 93 G CA 0.636 45.867 45.100 0.218 0.000 0.822 93 G HN 0.399 nan 8.290 nan 0.000 0.546 94 Y N 0.313 120.645 120.300 0.055 0.000 2.139 94 Y HA -0.168 4.381 4.550 -0.002 0.000 0.282 94 Y C 2.364 178.237 175.900 -0.044 0.000 1.179 94 Y CA 1.512 59.597 58.100 -0.024 0.000 1.161 94 Y CB -0.716 37.756 38.460 0.020 0.000 0.970 94 Y HN 0.259 nan 8.280 nan 0.000 0.511 95 F N 0.007 119.982 119.950 0.041 0.000 2.008 95 F HA -0.353 4.173 4.527 -0.002 0.000 0.297 95 F C 2.139 177.893 175.800 -0.076 0.000 1.156 95 F CA 1.209 59.184 58.000 -0.042 0.000 1.191 95 F CB -0.506 38.458 39.000 -0.060 0.000 0.955 95 F HN -0.104 nan 8.300 nan 0.000 0.497 96 L N 0.466 121.377 121.223 -0.521 0.000 2.171 96 L HA -0.280 4.059 4.340 -0.002 0.000 0.216 96 L C 2.334 179.025 176.870 -0.298 0.000 1.084 96 L CA 1.406 55.902 54.840 -0.572 0.000 0.771 96 L CB -1.594 40.155 42.059 -0.517 0.000 0.890 96 L HN 0.260 nan 8.230 nan 0.000 0.437 97 V N -1.011 118.759 119.914 -0.240 0.000 2.488 97 V HA -0.127 3.992 4.120 -0.002 0.000 0.246 97 V C 2.627 178.575 176.094 -0.243 0.000 1.046 97 V CA 1.019 63.187 62.300 -0.221 0.000 1.053 97 V CB -0.275 31.393 31.823 -0.257 0.000 0.679 97 V HN 0.377 nan 8.190 nan 0.000 0.458 98 R N 0.304 120.646 120.500 -0.263 0.000 2.093 98 R HA -0.050 4.289 4.340 -0.002 0.000 0.224 98 R C 2.191 178.364 176.300 -0.212 0.000 1.101 98 R CA 1.044 56.976 56.100 -0.280 0.000 0.979 98 R CB -0.304 29.841 30.300 -0.257 0.000 0.877 98 R HN 0.346 nan 8.270 nan 0.000 0.441 99 K N -0.585 119.669 120.400 -0.245 0.000 2.314 99 K HA -0.026 4.293 4.320 -0.002 0.000 0.198 99 K C 0.465 176.726 176.600 -0.565 0.000 1.045 99 K CA 1.015 57.068 56.287 -0.391 0.000 0.988 99 K CB 0.296 32.458 32.500 -0.563 0.000 0.783 99 K HN 0.095 nan 8.250 nan 0.000 0.484 100 Y N -1.627 118.499 120.300 -0.290 0.000 2.610 100 Y HA 0.507 5.055 4.550 -0.002 0.000 0.254 100 Y C -0.442 175.347 175.900 -0.185 0.000 1.110 100 Y CA -0.359 57.612 58.100 -0.214 0.000 1.238 100 Y CB 1.502 39.828 38.460 -0.223 0.000 1.322 100 Y HN 0.026 nan 8.280 nan 0.000 0.547 101 A N -0.338 122.441 122.820 -0.067 0.000 2.188 101 A HA 0.366 4.685 4.320 -0.002 0.000 0.243 101 A C -2.510 174.988 177.584 -0.142 0.000 1.509 101 A CA -0.616 51.356 52.037 -0.108 0.000 1.574 101 A CB -0.291 18.641 19.000 -0.114 0.000 1.049 101 A HN -0.038 nan 8.150 nan 0.000 0.850 102 P HA -0.176 nan 4.420 nan 0.000 0.229 102 P C 0.879 178.093 177.300 -0.143 0.000 1.147 102 P CA 1.801 64.799 63.100 -0.171 0.000 0.766 102 P CB 0.189 31.806 31.700 -0.138 0.000 0.775 103 E N -1.195 118.928 120.200 -0.129 0.000 2.307 103 E HA 0.132 4.481 4.350 -0.002 0.000 0.195 103 E C 2.020 178.546 176.600 -0.122 0.000 0.975 103 E CA 0.504 56.836 56.400 -0.114 0.000 0.878 103 E CB -0.908 28.727 29.700 -0.108 0.000 0.845 103 E HN 0.059 nan 8.360 nan 0.000 0.488 104 A N 2.001 124.739 122.820 -0.136 0.000 2.024 104 A HA 0.009 4.328 4.320 -0.002 0.000 0.220 104 A C 1.687 179.187 177.584 -0.140 0.000 1.164 104 A CA 1.179 53.137 52.037 -0.132 0.000 0.643 104 A CB -1.194 17.727 19.000 -0.131 0.000 0.806 104 A HN 0.271 nan 8.150 nan 0.000 0.451 105 G N -1.995 106.704 108.800 -0.167 0.000 2.716 105 G HA2 0.516 4.475 3.960 -0.002 0.000 0.251 105 G HA3 0.516 4.475 3.960 -0.002 0.000 0.251 105 G C 0.848 175.659 174.900 -0.148 0.000 1.224 105 G CA 0.145 45.133 45.100 -0.186 0.000 0.891 105 G HN 1.663 nan 8.290 nan 0.000 0.561 106 G N -0.961 107.728 108.800 -0.186 0.000 2.752 106 G HA2 -0.091 3.868 3.960 -0.002 0.000 0.234 106 G HA3 -0.091 3.868 3.960 -0.002 0.000 0.234 106 G C 1.303 176.184 174.900 -0.031 0.000 1.367 106 G CA 0.706 45.640 45.100 -0.277 0.000 0.879 106 G HN 1.611 nan 8.290 nan 0.000 0.563 107 S N -0.842 114.983 115.700 0.208 0.000 2.354 107 S HA 0.163 4.632 4.470 -0.002 0.000 0.219 107 S C 2.503 177.152 174.600 0.083 0.000 1.035 107 S CA 3.340 61.780 58.200 0.400 0.000 1.037 107 S CB -0.735 62.786 63.200 0.534 0.000 0.956 107 S HN 2.843 nan 8.310 nan 0.000 0.428 108 G N -0.421 108.373 108.800 -0.011 0.000 2.231 108 G HA2 -0.172 3.786 3.960 -0.002 0.000 0.206 108 G HA3 -0.172 3.786 3.960 -0.002 0.000 0.206 108 G C 0.827 175.637 174.900 -0.150 0.000 0.996 108 G CA 0.304 45.352 45.100 -0.087 0.000 0.645 108 G HN 0.507 nan 8.290 nan 0.000 0.498 109 I N 1.308 121.737 120.570 -0.236 0.000 2.286 109 I HA -0.028 4.141 4.170 -0.002 0.000 0.245 109 I C 0.019 175.944 176.117 -0.321 0.000 1.104 109 I CA 1.368 62.441 61.300 -0.379 0.000 1.397 109 I CB -0.488 37.025 38.000 -0.812 0.000 1.072 109 I HN 0.118 nan 8.210 nan 0.000 0.417 110 P HA -0.160 nan 4.420 nan 0.000 0.217 110 P C 1.243 178.485 177.300 -0.097 0.000 1.150 110 P CA 1.111 64.133 63.100 -0.129 0.000 0.832 110 P CB 0.067 31.754 31.700 -0.021 0.000 0.787 111 E N -1.075 119.067 120.200 -0.097 0.000 2.333 111 E HA -0.103 4.246 4.350 -0.002 0.000 0.198 111 E C 1.621 178.167 176.600 -0.090 0.000 1.007 111 E CA 0.758 57.108 56.400 -0.083 0.000 0.845 111 E CB -0.640 29.008 29.700 -0.088 0.000 0.766 111 E HN 0.189 nan 8.360 nan 0.000 0.507 112 I N -0.088 120.411 120.570 -0.118 0.000 3.081 112 I HA -0.023 4.146 4.170 -0.002 0.000 0.274 112 I C 1.675 177.715 176.117 -0.127 0.000 1.178 112 I CA 0.504 61.733 61.300 -0.118 0.000 1.460 112 I CB -0.511 37.406 38.000 -0.140 0.000 1.137 112 I HN 0.144 nan 8.210 nan 0.000 0.443 113 E N 1.324 121.437 120.200 -0.145 0.000 2.077 113 E HA -0.162 4.187 4.350 -0.002 0.000 0.193 113 E C 2.191 178.737 176.600 -0.090 0.000 0.989 113 E CA 1.430 57.744 56.400 -0.142 0.000 0.800 113 E CB -0.197 29.428 29.700 -0.126 0.000 0.746 113 E HN 0.510 nan 8.360 nan 0.000 0.452 114 G N 1.751 110.514 108.800 -0.062 0.000 2.484 114 G HA2 -0.273 3.686 3.960 -0.002 0.000 0.215 114 G HA3 -0.273 3.686 3.960 -0.002 0.000 0.215 114 G C 1.786 176.670 174.900 -0.028 0.000 1.219 114 G CA 1.272 46.354 45.100 -0.031 0.000 0.791 114 G HN 0.361 nan 8.290 nan 0.000 0.550 115 A N 0.298 123.098 122.820 -0.033 0.000 2.054 115 A HA -0.063 4.256 4.320 -0.002 0.000 0.223 115 A C 2.381 179.968 177.584 0.005 0.000 1.169 115 A CA 1.623 53.655 52.037 -0.009 0.000 0.655 115 A CB -0.387 18.602 19.000 -0.020 0.000 0.812 115 A HN 0.404 nan 8.150 nan 0.000 0.462 116 L N -1.266 119.921 121.223 -0.060 0.000 2.341 116 L HA -0.003 4.336 4.340 -0.002 0.000 0.214 116 L C 2.051 178.816 176.870 -0.175 0.000 1.115 116 L CA 0.540 55.291 54.840 -0.149 0.000 0.820 116 L CB -0.227 41.696 42.059 -0.228 0.000 0.944 116 L HN 0.315 nan 8.230 nan 0.000 0.452 117 E N -0.500 119.663 120.200 -0.061 0.000 2.447 117 E HA -0.077 4.272 4.350 -0.002 0.000 0.195 117 E C -0.194 176.442 176.600 0.060 0.000 1.028 117 E CA 0.207 56.603 56.400 -0.007 0.000 0.876 117 E CB 0.282 29.990 29.700 0.013 0.000 0.885 117 E HN 0.300 nan 8.360 nan 0.000 0.500 118 D N 0.449 120.895 120.400 0.077 0.000 3.017 118 D HA -0.149 4.490 4.640 -0.002 0.000 0.220 118 D C 0.715 177.047 176.300 0.054 0.000 1.141 118 D CA 0.476 54.531 54.000 0.091 0.000 0.848 118 D CB -0.794 40.079 40.800 0.122 0.000 1.102 118 D HN 0.233 nan 8.370 nan 0.000 0.427 119 Q N -0.774 119.047 119.800 0.035 0.000 2.378 119 Q HA 0.130 4.469 4.340 -0.002 0.000 0.216 119 Q C 0.902 176.911 176.000 0.015 0.000 0.892 119 Q CA 0.596 56.413 55.803 0.023 0.000 0.931 119 Q CB 0.956 29.704 28.738 0.018 0.000 1.086 119 Q HN 0.305 nan 8.270 nan 0.000 0.528 120 R N 0.812 121.319 120.500 0.012 0.000 2.888 120 R HA 0.599 4.938 4.340 -0.002 0.000 0.266 120 R C -2.392 173.912 176.300 0.007 0.000 1.020 120 R CA -1.839 54.261 56.100 -0.000 0.000 0.963 120 R CB 0.686 30.975 30.300 -0.018 0.000 1.197 120 R HN -0.051 nan 8.270 nan 0.000 0.481 121 P HA 0.374 nan 4.420 nan 0.000 0.287 121 P C -0.628 176.646 177.300 -0.043 0.000 1.279 121 P CA -0.630 62.472 63.100 0.003 0.000 0.867 121 P CB 1.486 33.194 31.700 0.014 0.000 1.127 122 V N 2.815 122.709 119.914 -0.034 0.000 2.260 122 V HA 0.224 4.343 4.120 -0.002 0.000 0.262 122 V C 1.165 177.064 176.094 -0.326 0.000 1.163 122 V CA -0.481 61.772 62.300 -0.078 0.000 1.194 122 V CB -0.493 31.364 31.823 0.057 0.000 1.339 122 V HN 0.443 nan 8.190 nan 0.000 0.492 123 R N 3.088 123.238 120.500 -0.584 0.000 4.510 123 R HA -0.035 4.304 4.340 -0.002 0.000 0.170 123 R C 1.568 177.054 176.300 -1.355 0.000 1.906 123 R CA -0.039 55.203 56.100 -1.430 0.000 1.492 123 R CB -0.179 29.589 30.300 -0.887 0.000 1.383 123 R HN 0.928 nan 8.270 nan 0.000 0.823 124 W N 0.882 121.596 121.300 -0.977 0.000 2.342 124 W HA -0.236 4.423 4.660 -0.001 0.000 0.297 124 W C 0.847 177.137 176.519 -0.381 0.000 1.213 124 W CA 0.579 57.633 57.345 -0.486 0.000 1.251 124 W CB -1.162 28.177 29.460 -0.201 0.000 1.136 124 W HN 0.437 nan 8.180 nan 0.000 0.526 125 W N 1.705 122.654 121.300 -0.586 0.000 2.389 125 W HA -0.020 4.639 4.660 -0.002 0.000 0.267 125 W C 2.041 178.482 176.519 -0.130 0.000 1.219 125 W CA 1.563 58.631 57.345 -0.463 0.000 1.189 125 W CB -1.269 27.712 29.460 -0.798 0.000 1.129 125 W HN -0.157 nan 8.180 nan 0.000 0.581 126 R N 0.129 120.338 120.500 -0.485 0.000 2.076 126 R HA 0.074 4.413 4.340 -0.002 0.000 0.203 126 R C 2.268 178.464 176.300 -0.173 0.000 1.229 126 R CA 0.781 56.731 56.100 -0.250 0.000 1.094 126 R CB -0.725 29.389 30.300 -0.309 0.000 0.991 126 R HN 0.044 nan 8.270 nan 0.000 0.471 127 V N 2.550 122.319 119.914 -0.243 0.000 2.324 127 V HA -0.280 3.839 4.120 -0.002 0.000 0.250 127 V C 2.374 178.426 176.094 -0.070 0.000 1.060 127 V CA 1.740 63.950 62.300 -0.151 0.000 1.042 127 V CB -0.574 31.141 31.823 -0.179 0.000 0.650 127 V HN 0.269 nan 8.190 nan 0.000 0.450 128 L N 0.466 121.672 121.223 -0.029 0.000 1.933 128 L HA -0.137 4.202 4.340 -0.002 0.000 0.220 128 L C 0.495 177.380 176.870 0.025 0.000 1.078 128 L CA 2.363 57.197 54.840 -0.009 0.000 0.773 128 L CB -2.325 39.746 42.059 0.021 0.000 0.890 128 L HN 0.340 nan 8.230 nan 0.000 0.434 129 P HA -0.144 nan 4.420 nan 0.000 0.216 129 P C 1.894 179.336 177.300 0.236 0.000 1.150 129 P CA 1.488 64.704 63.100 0.193 0.000 0.843 129 P CB 0.025 31.826 31.700 0.168 0.000 0.787 130 V N 0.762 120.714 119.914 0.063 0.000 2.229 130 V HA -0.210 3.909 4.120 -0.002 0.000 0.243 130 V C 2.825 178.941 176.094 0.037 0.000 1.042 130 V CA 2.266 64.568 62.300 0.004 0.000 1.000 130 V CB -1.137 30.635 31.823 -0.085 0.000 0.637 130 V HN 0.062 nan 8.190 nan 0.000 0.446 131 K N -0.019 120.378 120.400 -0.005 0.000 2.034 131 K HA -0.237 4.082 4.320 -0.002 0.000 0.214 131 K C 1.815 178.423 176.600 0.013 0.000 1.051 131 K CA 2.042 58.308 56.287 -0.035 0.000 0.931 131 K CB -0.813 31.637 32.500 -0.083 0.000 0.715 131 K HN 0.357 nan 8.250 nan 0.000 0.446 132 F N -0.152 119.722 119.950 -0.127 0.000 1.995 132 F HA -0.221 4.305 4.527 -0.002 0.000 0.300 132 F C 1.769 177.579 175.800 0.016 0.000 1.256 132 F CA 2.037 59.949 58.000 -0.146 0.000 1.191 132 F CB -0.646 38.181 39.000 -0.288 0.000 0.950 132 F HN 0.038 nan 8.300 nan 0.000 0.517 133 F N 1.093 121.227 119.950 0.307 0.000 2.323 133 F HA -0.156 4.370 4.527 -0.002 0.000 0.301 133 F C 2.451 178.380 175.800 0.214 0.000 1.060 133 F CA 1.172 59.308 58.000 0.226 0.000 1.398 133 F CB -1.575 37.627 39.000 0.338 0.000 1.075 133 F HN 0.196 nan 8.300 nan 0.000 0.540 134 G N -0.319 108.628 108.800 0.246 0.000 2.404 134 G HA2 -0.101 3.858 3.960 -0.002 0.000 0.215 134 G HA3 -0.101 3.858 3.960 -0.002 0.000 0.215 134 G C 2.049 177.032 174.900 0.137 0.000 1.174 134 G CA 0.741 45.914 45.100 0.123 0.000 0.780 134 G HN 0.491 nan 8.290 nan 0.000 0.537 135 G N 0.844 109.731 108.800 0.145 0.000 2.394 135 G HA2 -0.056 3.903 3.960 -0.002 0.000 0.214 135 G HA3 -0.056 3.903 3.960 -0.002 0.000 0.214 135 G C 1.721 176.737 174.900 0.194 0.000 1.176 135 G CA 0.722 45.956 45.100 0.223 0.000 0.786 135 G HN 0.301 nan 8.290 nan 0.000 0.533 136 L N 1.671 122.962 121.223 0.113 0.000 2.103 136 L HA -0.073 4.266 4.340 -0.002 0.000 0.215 136 L C 2.977 179.872 176.870 0.042 0.000 1.080 136 L CA 1.903 56.686 54.840 -0.095 0.000 0.764 136 L CB -0.818 41.165 42.059 -0.128 0.000 0.890 136 L HN 0.273 nan 8.230 nan 0.000 0.435 137 G N -1.651 107.255 108.800 0.176 0.000 2.404 137 G HA2 -0.219 3.740 3.960 -0.002 0.000 0.214 137 G HA3 -0.219 3.740 3.960 -0.002 0.000 0.214 137 G C 1.591 176.581 174.900 0.151 0.000 1.189 137 G CA 1.136 46.365 45.100 0.215 0.000 0.789 137 G HN 0.459 nan 8.290 nan 0.000 0.533 138 T N 0.026 114.663 114.554 0.139 0.000 2.821 138 T HA 0.031 4.379 4.350 -0.002 0.000 0.267 138 T C 2.209 176.963 174.700 0.091 0.000 1.046 138 T CA 0.803 62.973 62.100 0.116 0.000 1.139 138 T CB -0.095 68.820 68.868 0.079 0.000 0.871 138 T HN 0.004 nan 8.240 nan 0.000 0.454 139 L N 1.487 122.750 121.223 0.068 0.000 2.102 139 L HA 0.323 4.662 4.340 -0.002 0.000 0.202 139 L C 3.099 179.968 176.870 -0.002 0.000 1.076 139 L CA 1.817 56.676 54.840 0.031 0.000 0.761 139 L CB -1.980 40.077 42.059 -0.004 0.000 0.921 139 L HN 0.447 nan 8.230 nan 0.000 0.444 140 G N -0.005 108.779 108.800 -0.027 0.000 2.475 140 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.220 140 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.220 140 G C 1.573 176.470 174.900 -0.005 0.000 1.125 140 G CA 0.941 46.026 45.100 -0.026 0.000 0.755 140 G HN 0.502 nan 8.290 nan 0.000 0.565 141 G N -0.290 108.522 108.800 0.020 0.000 2.448 141 G HA2 0.317 4.275 3.960 -0.002 0.000 0.218 141 G HA3 0.317 4.275 3.960 -0.002 0.000 0.218 141 G C 1.270 176.181 174.900 0.019 0.000 1.135 141 G CA 0.772 45.883 45.100 0.018 0.000 0.784 141 G HN 1.552 nan 8.290 nan 0.000 0.543 142 G N -0.716 108.100 108.800 0.028 0.000 2.131 142 G HA2 -0.236 3.723 3.960 -0.002 0.000 0.201 142 G HA3 -0.236 3.723 3.960 -0.002 0.000 0.201 142 G C 0.406 175.334 174.900 0.046 0.000 1.000 142 G CA 0.192 45.312 45.100 0.033 0.000 0.680 142 G HN 0.407 nan 8.290 nan 0.000 0.514 143 M N -0.342 119.294 119.600 0.060 0.000 2.103 143 M HA 0.341 4.820 4.480 -0.002 0.000 0.291 143 M C 1.163 177.506 176.300 0.072 0.000 1.216 143 M CA -0.041 55.306 55.300 0.078 0.000 1.132 143 M CB 0.625 33.293 32.600 0.113 0.000 1.396 143 M HN -0.076 nan 8.290 nan 0.000 0.479 144 V N 3.464 123.428 119.914 0.083 0.000 2.071 144 V HA 0.267 4.386 4.120 -0.002 0.000 0.254 144 V C -0.266 175.881 176.094 0.088 0.000 1.456 144 V CA 0.157 62.497 62.300 0.067 0.000 1.383 144 V CB -1.543 30.319 31.823 0.066 0.000 1.433 144 V HN 0.484 nan 8.190 nan 0.000 0.499 145 L N 1.691 122.961 121.223 0.079 0.000 2.445 145 L HA 0.768 5.107 4.340 -0.002 0.000 0.262 145 L C 0.703 177.618 176.870 0.075 0.000 0.974 145 L CA -0.589 54.315 54.840 0.107 0.000 0.822 145 L CB 2.090 44.243 42.059 0.157 0.000 1.339 145 L HN 0.471 nan 8.230 nan 0.000 0.409 146 G N 0.453 109.308 108.800 0.093 0.000 2.588 146 G HA2 0.388 4.347 3.960 -0.002 0.000 0.281 146 G HA3 0.388 4.347 3.960 -0.002 0.000 0.281 146 G C 0.388 175.392 174.900 0.172 0.000 1.236 146 G CA -0.391 44.774 45.100 0.108 0.000 0.969 146 G HN 0.737 nan 8.290 nan 0.000 0.504 147 R N -0.652 119.983 120.500 0.225 0.000 2.189 147 R HA 0.041 4.380 4.340 -0.002 0.000 0.203 147 R C 2.336 178.684 176.300 0.080 0.000 1.012 147 R CA 0.942 57.190 56.100 0.247 0.000 1.015 147 R CB 0.064 30.562 30.300 0.331 0.000 0.938 147 R HN 0.640 nan 8.270 nan 0.000 0.472 148 E N 1.039 121.243 120.200 0.006 0.000 2.033 148 E HA -0.179 4.170 4.350 -0.002 0.000 0.199 148 E C 1.941 178.438 176.600 -0.172 0.000 1.011 148 E CA 1.617 57.886 56.400 -0.219 0.000 0.815 148 E CB -1.271 28.183 29.700 -0.411 0.000 0.755 148 E HN 0.271 nan 8.360 nan 0.000 0.451 149 G N 2.094 110.846 108.800 -0.080 0.000 2.764 149 G HA2 -0.292 3.667 3.960 -0.002 0.000 0.219 149 G HA3 -0.292 3.667 3.960 -0.002 0.000 0.219 149 G C -0.676 174.147 174.900 -0.129 0.000 1.259 149 G CA 1.694 46.753 45.100 -0.067 0.000 0.793 149 G HN 0.341 nan 8.290 nan 0.000 0.633 150 P HA -0.149 nan 4.420 nan 0.000 0.216 150 P C 2.309 179.390 177.300 -0.364 0.000 1.154 150 P CA 2.795 65.717 63.100 -0.298 0.000 0.865 150 P CB -0.372 31.053 31.700 -0.459 0.000 0.789 151 T N -4.639 109.714 114.554 -0.335 0.000 3.014 151 T HA 0.002 4.350 4.350 -0.002 0.000 0.263 151 T C 1.793 176.371 174.700 -0.203 0.000 1.078 151 T CA 0.529 62.466 62.100 -0.271 0.000 1.135 151 T CB -1.223 67.525 68.868 -0.200 0.000 0.895 151 T HN -0.123 nan 8.240 nan 0.000 0.480 152 V N 1.594 121.387 119.914 -0.201 0.000 2.515 152 V HA -0.107 4.012 4.120 -0.002 0.000 0.250 152 V C 2.821 178.824 176.094 -0.153 0.000 1.058 152 V CA 1.938 64.134 62.300 -0.173 0.000 1.064 152 V CB -0.559 31.156 31.823 -0.180 0.000 0.675 152 V HN 0.556 nan 8.190 nan 0.000 0.461 153 Q N -0.658 119.045 119.800 -0.160 0.000 2.212 153 Q HA -0.001 4.338 4.340 -0.002 0.000 0.199 153 Q C 2.140 178.059 176.000 -0.135 0.000 0.950 153 Q CA 1.023 56.741 55.803 -0.142 0.000 0.863 153 Q CB 0.075 28.730 28.738 -0.138 0.000 0.944 153 Q HN 0.594 nan 8.270 nan 0.000 0.465 154 I N 0.224 120.701 120.570 -0.155 0.000 2.676 154 I HA -0.096 4.073 4.170 -0.002 0.000 0.259 154 I C 2.022 178.060 176.117 -0.131 0.000 1.194 154 I CA 0.775 61.991 61.300 -0.140 0.000 1.473 154 I CB -0.259 37.644 38.000 -0.161 0.000 1.096 154 I HN 0.327 nan 8.210 nan 0.000 0.443 155 G N 0.780 109.500 108.800 -0.133 0.000 2.434 155 G HA2 -0.154 3.805 3.960 -0.002 0.000 0.214 155 G HA3 -0.154 3.805 3.960 -0.002 0.000 0.214 155 G C 1.702 176.536 174.900 -0.111 0.000 1.202 155 G CA 0.750 45.778 45.100 -0.120 0.000 0.788 155 G HN 0.429 nan 8.290 nan 0.000 0.539 156 G N 1.307 110.045 108.800 -0.104 0.000 2.529 156 G HA2 -0.332 3.627 3.960 -0.002 0.000 0.219 156 G HA3 -0.332 3.627 3.960 -0.002 0.000 0.219 156 G C 1.755 176.607 174.900 -0.079 0.000 1.177 156 G CA 1.454 46.502 45.100 -0.087 0.000 0.773 156 G HN 0.426 nan 8.290 nan 0.000 0.573 157 N N 0.685 119.340 118.700 -0.075 0.000 2.061 157 N HA -0.119 4.620 4.740 -0.002 0.000 0.193 157 N C 2.106 177.524 175.510 -0.155 0.000 1.030 157 N CA 1.071 54.091 53.050 -0.049 0.000 0.856 157 N CB -0.297 38.182 38.487 -0.013 0.000 1.023 157 N HN 0.237 nan 8.380 nan 0.000 0.424 158 I N 0.345 120.818 120.570 -0.162 0.000 2.264 158 I HA -0.152 4.017 4.170 -0.002 0.000 0.248 158 I C 2.295 178.292 176.117 -0.200 0.000 1.111 158 I CA 1.270 62.445 61.300 -0.208 0.000 1.382 158 I CB -1.636 36.268 38.000 -0.161 0.000 1.060 158 I HN 0.165 nan 8.210 nan 0.000 0.418 159 G N 0.715 109.430 108.800 -0.141 0.000 2.433 159 G HA2 -0.310 3.649 3.960 -0.002 0.000 0.216 159 G HA3 -0.310 3.649 3.960 -0.002 0.000 0.216 159 G C 1.824 176.657 174.900 -0.112 0.000 1.186 159 G CA 0.973 46.009 45.100 -0.107 0.000 0.779 159 G HN 0.222 nan 8.290 nan 0.000 0.543 160 R N 0.267 120.702 120.500 -0.109 0.000 2.122 160 R HA -0.105 4.234 4.340 -0.002 0.000 0.236 160 R C 2.572 178.733 176.300 -0.232 0.000 1.129 160 R CA 2.315 58.372 56.100 -0.073 0.000 0.925 160 R CB -0.900 29.422 30.300 0.037 0.000 0.850 160 R HN 0.362 nan 8.270 nan 0.000 0.431 161 M N 0.114 119.326 119.600 -0.648 0.000 2.116 161 M HA -0.209 4.270 4.480 -0.002 0.000 0.255 161 M C 1.843 177.847 176.300 -0.494 0.000 1.075 161 M CA 2.603 57.260 55.300 -1.071 0.000 1.087 161 M CB -0.203 31.604 32.600 -1.321 0.000 1.340 161 M HN 0.248 nan 8.290 nan 0.000 0.402 162 V N -1.558 118.208 119.914 -0.247 0.000 3.306 162 V HA -0.066 4.053 4.120 -0.002 0.000 0.264 162 V C 1.846 178.018 176.094 0.130 0.000 1.149 162 V CA 0.846 63.153 62.300 0.013 0.000 1.143 162 V CB -0.654 31.251 31.823 0.137 0.000 0.767 162 V HN 0.552 nan 8.190 nan 0.000 0.476 163 L N 0.987 122.220 121.223 0.016 0.000 2.127 163 L HA 0.166 4.505 4.340 -0.002 0.000 0.203 163 L C 2.052 178.967 176.870 0.076 0.000 1.080 163 L CA 2.008 56.888 54.840 0.066 0.000 0.768 163 L CB -0.666 41.419 42.059 0.042 0.000 0.924 163 L HN 0.239 nan 8.230 nan 0.000 0.444 164 D N -0.306 120.129 120.400 0.059 0.000 2.110 164 D HA -0.076 4.562 4.640 -0.002 0.000 0.202 164 D C 2.363 178.671 176.300 0.013 0.000 0.975 164 D CA 1.493 55.557 54.000 0.107 0.000 0.839 164 D CB -0.111 40.863 40.800 0.290 0.000 0.996 164 D HN 0.319 nan 8.370 nan 0.000 0.464 165 I N 0.053 120.555 120.570 -0.114 0.000 2.315 165 I HA -0.265 3.904 4.170 -0.002 0.000 0.251 165 I C 1.335 177.148 176.117 -0.507 0.000 1.125 165 I CA 1.082 62.182 61.300 -0.333 0.000 1.392 165 I CB -0.148 37.520 38.000 -0.554 0.000 1.065 165 I HN -0.069 nan 8.210 nan 0.000 0.424 166 F N 0.271 120.223 119.950 0.003 0.000 2.695 166 F HA 0.232 4.758 4.527 -0.002 0.000 0.303 166 F C 0.977 176.791 175.800 0.023 0.000 1.091 166 F CA -0.277 57.732 58.000 0.015 0.000 1.300 166 F CB -0.063 38.946 39.000 0.014 0.000 1.071 166 F HN -0.092 nan 8.300 nan 0.000 0.578 167 R N 0.498 121.068 120.500 0.116 0.000 3.416 167 R HA -0.198 4.141 4.340 -0.002 0.000 0.263 167 R C -0.637 175.720 176.300 0.096 0.000 1.053 167 R CA 0.063 56.216 56.100 0.088 0.000 0.705 167 R CB -2.591 27.746 30.300 0.063 0.000 1.124 167 R HN 0.269 nan 8.270 nan 0.000 0.444 168 L N 0.928 122.218 121.223 0.112 0.000 2.410 168 L HA 0.207 4.546 4.340 -0.002 0.000 0.273 168 L C 0.908 177.809 176.870 0.053 0.000 1.152 168 L CA 0.379 55.269 54.840 0.083 0.000 0.855 168 L CB 0.724 42.832 42.059 0.082 0.000 1.129 168 L HN 0.160 nan 8.230 nan 0.000 0.463 169 K N 1.936 122.359 120.400 0.038 0.000 2.258 169 K HA 0.794 5.113 4.320 -0.002 0.000 0.236 169 K C -0.164 176.440 176.600 0.007 0.000 1.008 169 K CA 0.074 56.373 56.287 0.021 0.000 0.869 169 K CB 1.891 34.404 32.500 0.020 0.000 1.171 169 K HN 0.708 nan 8.250 nan 0.000 0.447 170 G N 1.526 110.321 108.800 -0.008 0.000 2.612 170 G HA2 -0.153 3.806 3.960 -0.002 0.000 0.686 170 G HA3 -0.153 3.806 3.960 -0.002 0.000 0.686 170 G C -0.443 174.421 174.900 -0.061 0.000 1.274 170 G CA -0.275 44.813 45.100 -0.021 0.000 0.849 170 G HN 0.663 nan 8.290 nan 0.000 0.595 171 D N -0.402 119.951 120.400 -0.078 0.000 2.162 171 D HA 0.040 4.678 4.640 -0.002 0.000 0.203 171 D C 2.060 178.275 176.300 -0.141 0.000 0.967 171 D CA 1.332 55.219 54.000 -0.188 0.000 0.840 171 D CB 0.037 40.753 40.800 -0.141 0.000 0.972 171 D HN 0.590 nan 8.370 nan 0.000 0.482 172 E N 0.508 120.694 120.200 -0.023 0.000 2.017 172 E HA -0.159 4.190 4.350 -0.002 0.000 0.193 172 E C 2.026 178.637 176.600 0.019 0.000 0.997 172 E CA 1.017 57.433 56.400 0.027 0.000 0.804 172 E CB -0.003 29.721 29.700 0.040 0.000 0.757 172 E HN 0.148 nan 8.360 nan 0.000 0.448 173 A N 1.277 124.101 122.820 0.007 0.000 1.948 173 A HA -0.254 4.064 4.320 -0.002 0.000 0.220 173 A C 2.147 179.738 177.584 0.012 0.000 1.177 173 A CA 1.856 53.901 52.037 0.014 0.000 0.636 173 A CB -0.567 18.444 19.000 0.018 0.000 0.815 173 A HN 0.193 nan 8.150 nan 0.000 0.449 174 R N -1.730 118.758 120.500 -0.019 0.000 2.093 174 R HA -0.056 4.283 4.340 -0.002 0.000 0.224 174 R C 1.953 178.292 176.300 0.064 0.000 1.101 174 R CA 1.358 57.450 56.100 -0.012 0.000 0.979 174 R CB -0.297 29.956 30.300 -0.078 0.000 0.877 174 R HN 0.789 nan 8.270 nan 0.000 0.441 175 H N -1.526 117.542 119.070 -0.004 0.000 2.448 175 H HA 0.028 4.583 4.556 -0.002 0.000 0.292 175 H C 1.674 176.980 175.328 -0.036 0.000 1.035 175 H CA 1.170 57.204 56.048 -0.023 0.000 1.349 175 H CB 0.499 30.244 29.762 -0.028 0.000 1.425 175 H HN 0.151 nan 8.280 nan 0.000 0.539 176 T N 0.852 115.469 114.554 0.104 0.000 2.732 176 T HA -0.054 4.295 4.350 -0.002 0.000 0.261 176 T C 2.056 176.763 174.700 0.012 0.000 1.040 176 T CA 0.625 62.748 62.100 0.039 0.000 1.145 176 T CB -0.127 68.761 68.868 0.033 0.000 0.866 176 T HN 0.189 nan 8.240 nan 0.000 0.427 177 L N 0.698 121.928 121.223 0.011 0.000 2.265 177 L HA -0.026 4.313 4.340 -0.002 0.000 0.215 177 L C 2.361 179.218 176.870 -0.022 0.000 1.117 177 L CA 0.825 55.658 54.840 -0.013 0.000 0.782 177 L CB -0.550 41.502 42.059 -0.011 0.000 0.914 177 L HN 0.265 nan 8.230 nan 0.000 0.441 178 L N 0.023 121.246 121.223 -0.001 0.000 2.095 178 L HA -0.009 4.330 4.340 -0.002 0.000 0.204 178 L C 2.633 179.475 176.870 -0.047 0.000 1.080 178 L CA 1.687 56.518 54.840 -0.015 0.000 0.759 178 L CB -0.434 41.638 42.059 0.022 0.000 0.914 178 L HN 0.091 nan 8.230 nan 0.000 0.439 179 A N -1.266 121.525 122.820 -0.049 0.000 1.897 179 A HA -0.184 4.135 4.320 -0.002 0.000 0.215 179 A C 2.397 179.937 177.584 -0.073 0.000 1.181 179 A CA 2.039 54.027 52.037 -0.082 0.000 0.620 179 A CB -1.280 17.665 19.000 -0.091 0.000 0.821 179 A HN 0.566 nan 8.150 nan 0.000 0.443 180 T N -1.929 112.593 114.554 -0.053 0.000 2.708 180 T HA -0.020 4.329 4.350 -0.002 0.000 0.266 180 T C 1.977 176.638 174.700 -0.066 0.000 1.037 180 T CA 2.004 64.073 62.100 -0.052 0.000 1.146 180 T CB -1.090 67.754 68.868 -0.039 0.000 0.865 180 T HN 0.461 nan 8.240 nan 0.000 0.435 181 G N 1.434 110.192 108.800 -0.069 0.000 2.505 181 G HA2 -0.079 3.880 3.960 -0.002 0.000 0.220 181 G HA3 -0.079 3.880 3.960 -0.002 0.000 0.220 181 G C 1.882 176.729 174.900 -0.088 0.000 1.145 181 G CA 1.436 46.487 45.100 -0.082 0.000 0.761 181 G HN 0.852 nan 8.290 nan 0.000 0.571 182 A N 1.297 124.065 122.820 -0.088 0.000 1.824 182 A HA 0.256 4.574 4.320 -0.002 0.000 0.215 182 A C 2.903 180.444 177.584 -0.072 0.000 1.209 182 A CA 2.822 54.804 52.037 -0.090 0.000 0.614 182 A CB -1.344 17.591 19.000 -0.107 0.000 0.852 182 A HN 1.120 nan 8.150 nan 0.000 0.447 183 A N -0.186 122.599 122.820 -0.059 0.000 1.870 183 A HA -0.096 4.223 4.320 -0.002 0.000 0.219 183 A C 2.580 180.120 177.584 -0.073 0.000 1.286 183 A CA 3.574 55.584 52.037 -0.044 0.000 0.682 183 A CB -1.566 17.396 19.000 -0.063 0.000 0.844 183 A HN 1.574 nan 8.150 nan 0.000 0.460 184 A N -1.209 121.565 122.820 -0.077 0.000 2.054 184 A HA -0.041 4.278 4.320 -0.002 0.000 0.223 184 A C 2.382 179.913 177.584 -0.088 0.000 1.169 184 A CA 2.460 54.451 52.037 -0.077 0.000 0.655 184 A CB -1.458 17.503 19.000 -0.065 0.000 0.812 184 A HN 1.080 nan 8.150 nan 0.000 0.462 185 G N -0.715 108.023 108.800 -0.102 0.000 2.394 185 G HA2 -0.014 3.945 3.960 -0.002 0.000 0.215 185 G HA3 -0.014 3.945 3.960 -0.002 0.000 0.215 185 G C 1.426 176.223 174.900 -0.173 0.000 1.165 185 G CA 0.991 46.016 45.100 -0.125 0.000 0.784 185 G HN 0.554 nan 8.290 nan 0.000 0.535 186 L N 1.250 122.357 121.223 -0.193 0.000 2.141 186 L HA 0.296 4.635 4.340 -0.002 0.000 0.209 186 L C 2.917 179.615 176.870 -0.286 0.000 1.094 186 L CA 1.789 56.441 54.840 -0.315 0.000 0.763 186 L CB -0.632 41.261 42.059 -0.277 0.000 0.908 186 L HN 0.224 nan 8.230 nan 0.000 0.437 187 A N 0.188 122.907 122.820 -0.167 0.000 1.829 187 A HA -0.123 4.196 4.320 -0.002 0.000 0.216 187 A C 2.384 179.876 177.584 -0.153 0.000 1.207 187 A CA 1.919 53.883 52.037 -0.123 0.000 0.622 187 A CB -1.566 17.380 19.000 -0.091 0.000 0.846 187 A HN 0.544 nan 8.150 nan 0.000 0.447 188 A N -0.803 121.933 122.820 -0.140 0.000 2.245 188 A HA 0.150 4.469 4.320 -0.002 0.000 0.217 188 A C 2.120 179.547 177.584 -0.260 0.000 1.171 188 A CA 2.026 53.951 52.037 -0.188 0.000 0.688 188 A CB -0.776 18.205 19.000 -0.031 0.000 0.781 188 A HN 1.135 nan 8.150 nan 0.000 0.479 189 A N -1.820 120.882 122.820 -0.197 0.000 1.984 189 A HA 0.371 4.690 4.320 -0.002 0.000 0.214 189 A C 1.419 179.125 177.584 0.203 0.000 1.173 189 A CA 0.657 52.634 52.037 -0.100 0.000 0.673 189 A CB -0.046 18.774 19.000 -0.300 0.000 0.830 189 A HN 0.553 nan 8.150 nan 0.000 0.453 190 F N -1.105 118.775 119.950 -0.115 0.000 2.735 190 F HA 0.173 4.699 4.527 -0.002 0.000 0.308 190 F C 0.720 176.405 175.800 -0.192 0.000 1.112 190 F CA -0.232 57.717 58.000 -0.086 0.000 1.235 190 F CB 0.202 39.203 39.000 0.002 0.000 1.027 190 F HN 0.296 nan 8.300 nan 0.000 0.528 191 N N 2.607 121.185 118.700 -0.203 0.000 2.698 191 N HA -0.259 4.480 4.740 -0.002 0.000 0.258 191 N C -0.731 174.759 175.510 -0.033 0.000 0.978 191 N CA 0.765 53.668 53.050 -0.245 0.000 0.777 191 N CB -0.541 37.825 38.487 -0.201 0.000 0.907 191 N HN 0.371 nan 8.380 nan 0.000 0.543 192 A N 0.633 123.449 122.820 -0.006 0.000 3.127 192 A HA 0.440 4.759 4.320 -0.002 0.000 0.319 192 A C -1.024 176.553 177.584 -0.012 0.000 1.104 192 A CA -0.618 51.430 52.037 0.018 0.000 0.802 192 A CB 1.024 20.066 19.000 0.069 0.000 1.193 192 A HN 0.269 nan 8.150 nan 0.000 0.479 193 P HA -0.267 nan 4.420 nan 0.000 0.217 193 P C 1.568 178.791 177.300 -0.127 0.000 1.158 193 P CA 1.242 64.294 63.100 -0.079 0.000 0.887 193 P CB 0.143 31.807 31.700 -0.060 0.000 0.792 194 L N -0.658 120.512 121.223 -0.089 0.000 2.012 194 L HA -0.173 4.166 4.340 -0.002 0.000 0.210 194 L C 2.910 179.743 176.870 -0.063 0.000 1.073 194 L CA 1.794 56.576 54.840 -0.096 0.000 0.748 194 L CB -1.303 40.734 42.059 -0.035 0.000 0.891 194 L HN -0.033 nan 8.230 nan 0.000 0.431 195 A N 0.319 123.131 122.820 -0.013 0.000 1.933 195 A HA -0.132 4.187 4.320 -0.002 0.000 0.218 195 A C 2.394 179.996 177.584 0.029 0.000 1.175 195 A CA 1.709 53.765 52.037 0.032 0.000 0.628 195 A CB -1.294 17.751 19.000 0.074 0.000 0.814 195 A HN 0.458 nan 8.150 nan 0.000 0.444 196 G N 0.504 109.289 108.800 -0.024 0.000 2.545 196 G HA2 -0.290 3.669 3.960 -0.002 0.000 0.217 196 G HA3 -0.290 3.669 3.960 -0.002 0.000 0.217 196 G C 1.516 176.409 174.900 -0.012 0.000 1.218 196 G CA 1.381 46.463 45.100 -0.030 0.000 0.787 196 G HN 0.502 nan 8.290 nan 0.000 0.571 197 I N 0.335 120.836 120.570 -0.115 0.000 2.091 197 I HA -0.176 3.992 4.170 -0.002 0.000 0.239 197 I C 2.661 178.757 176.117 -0.035 0.000 1.061 197 I CA 0.699 61.916 61.300 -0.138 0.000 1.317 197 I CB -0.431 37.373 38.000 -0.326 0.000 1.031 197 I HN 0.052 nan 8.210 nan 0.000 0.401 198 L N -0.069 121.151 121.223 -0.005 0.000 2.189 198 L HA -0.260 4.079 4.340 -0.002 0.000 0.214 198 L C 2.515 179.455 176.870 0.118 0.000 1.097 198 L CA 1.980 56.849 54.840 0.048 0.000 0.764 198 L CB -1.115 40.978 42.059 0.057 0.000 0.900 198 L HN 0.273 nan 8.230 nan 0.000 0.436 199 F N 0.429 120.351 119.950 -0.047 0.000 2.084 199 F HA -0.220 4.306 4.527 -0.002 0.000 0.296 199 F C 2.324 178.080 175.800 -0.074 0.000 1.111 199 F CA 1.082 59.054 58.000 -0.047 0.000 1.224 199 F CB -0.445 38.511 39.000 -0.073 0.000 0.991 199 F HN -0.062 nan 8.300 nan 0.000 0.471 200 I N 1.454 121.925 120.570 -0.165 0.000 2.052 200 I HA -0.311 3.858 4.170 -0.002 0.000 0.235 200 I C 2.556 178.535 176.117 -0.230 0.000 1.046 200 I CA 1.984 63.116 61.300 -0.280 0.000 1.308 200 I CB -1.179 36.726 38.000 -0.158 0.000 1.031 200 I HN 0.356 nan 8.210 nan 0.000 0.395 201 I N -1.677 118.817 120.570 -0.127 0.000 3.102 201 I HA -0.185 3.984 4.170 -0.002 0.000 0.278 201 I C 1.827 177.884 176.117 -0.100 0.000 1.316 201 I CA 1.599 62.837 61.300 -0.103 0.000 1.425 201 I CB -0.438 37.533 38.000 -0.047 0.000 1.073 201 I HN 0.457 nan 8.210 nan 0.000 0.503 202 E N 0.405 120.539 120.200 -0.111 0.000 2.441 202 E HA -0.044 4.304 4.350 -0.002 0.000 0.212 202 E C 1.401 177.926 176.600 -0.126 0.000 0.840 202 E CA 0.280 56.635 56.400 -0.076 0.000 1.143 202 E CB 0.547 30.258 29.700 0.019 0.000 1.153 202 E HN 0.608 nan 8.360 nan 0.000 0.539 203 E N -0.504 119.546 120.200 -0.250 0.000 3.275 203 E HA 0.087 4.436 4.350 -0.002 0.000 0.182 203 E C 1.772 178.116 176.600 -0.426 0.000 1.217 203 E CA 0.221 56.434 56.400 -0.310 0.000 1.276 203 E CB -0.209 29.302 29.700 -0.316 0.000 1.980 203 E HN -0.061 nan 8.360 nan 0.000 0.516 204 M N 1.750 120.933 119.600 -0.695 0.000 2.128 204 M HA -0.203 4.276 4.480 -0.002 0.000 0.253 204 M C 1.171 177.261 176.300 -0.351 0.000 1.079 204 M CA 1.593 56.566 55.300 -0.545 0.000 1.082 204 M CB -1.647 30.582 32.600 -0.618 0.000 1.335 204 M HN 0.199 nan 8.290 nan 0.000 0.401 205 R N 1.244 121.554 120.500 -0.317 0.000 2.679 205 R HA 0.196 4.535 4.340 -0.002 0.000 0.269 205 R C -2.466 173.680 176.300 -0.257 0.000 1.076 205 R CA -1.270 54.668 56.100 -0.269 0.000 1.160 205 R CB -0.625 29.531 30.300 -0.240 0.000 1.054 205 R HN -0.056 nan 8.270 nan 0.000 0.507 206 P HA -0.074 nan 4.420 nan 0.000 0.247 206 P C -0.412 176.750 177.300 -0.230 0.000 1.147 206 P CA 0.441 63.437 63.100 -0.173 0.000 0.964 206 P CB 0.437 32.048 31.700 -0.148 0.000 0.944 207 Q N 2.875 122.426 119.800 -0.415 0.000 2.291 207 Q HA -0.081 4.258 4.340 -0.002 0.000 0.206 207 Q C -0.031 175.478 176.000 -0.819 0.000 0.976 207 Q CA 1.489 56.821 55.803 -0.785 0.000 0.875 207 Q CB -0.191 27.817 28.738 -1.216 0.000 0.927 207 Q HN 0.414 nan 8.270 nan 0.000 0.450 208 F N 0.485 120.417 119.950 -0.029 0.000 2.809 208 F HA 0.528 5.054 4.527 -0.002 0.000 0.369 208 F C -0.374 175.428 175.800 0.004 0.000 1.225 208 F CA -1.043 56.952 58.000 -0.008 0.000 1.201 208 F CB 0.195 39.194 39.000 -0.002 0.000 1.527 208 F HN -0.081 nan 8.300 nan 0.000 0.565 209 R N 0.042 120.637 120.500 0.159 0.000 3.926 209 R HA 0.107 4.446 4.340 -0.002 0.000 0.262 209 R C -2.197 174.171 176.300 0.113 0.000 0.942 209 R CA -1.036 55.150 56.100 0.142 0.000 0.876 209 R CB 0.196 30.581 30.300 0.141 0.000 1.361 209 R HN 0.320 nan 8.270 nan 0.000 0.546 210 Y N 1.455 121.775 120.300 0.035 0.000 2.314 210 Y HA 0.566 5.115 4.550 -0.002 0.000 0.334 210 Y C -0.686 175.229 175.900 0.026 0.000 1.266 210 Y CA 1.032 59.146 58.100 0.023 0.000 1.391 210 Y CB 1.609 40.085 38.460 0.027 0.000 1.306 210 Y HN 0.717 nan 8.280 nan 0.000 0.558 211 T N 5.544 119.672 114.554 -0.709 0.000 2.923 211 T HA 0.312 4.661 4.350 -0.002 0.000 0.311 211 T C -1.168 173.287 174.700 -0.408 0.000 1.183 211 T CA -0.839 61.062 62.100 -0.332 0.000 1.020 211 T CB 1.211 69.919 68.868 -0.267 0.000 1.165 211 T HN 0.439 nan 8.240 nan 0.000 0.482 212 L N 2.446 123.681 121.223 0.019 0.000 2.423 212 L HA 0.442 4.781 4.340 -0.002 0.000 0.249 212 L C -0.421 176.477 176.870 0.047 0.000 1.276 212 L CA 0.284 55.173 54.840 0.082 0.000 1.199 212 L CB -1.211 40.947 42.059 0.166 0.000 1.407 212 L HN 0.493 nan 8.230 nan 0.000 0.410 213 I N -0.547 119.993 120.570 -0.050 0.000 2.389 213 I HA 0.279 4.447 4.170 -0.002 0.000 0.288 213 I C 0.501 176.608 176.117 -0.017 0.000 0.999 213 I CA -0.525 60.758 61.300 -0.029 0.000 1.129 213 I CB 1.819 39.771 38.000 -0.080 0.000 1.288 213 I HN 0.241 nan 8.210 nan 0.000 0.444 214 S N 6.480 122.188 115.700 0.013 0.000 2.494 214 S HA 0.318 4.787 4.470 -0.002 0.000 0.312 214 S C 1.271 175.892 174.600 0.035 0.000 1.121 214 S CA -0.470 57.743 58.200 0.023 0.000 1.068 214 S CB -0.066 63.151 63.200 0.029 0.000 1.141 214 S HN 0.593 nan 8.310 nan 0.000 0.527 215 I N 4.365 124.959 120.570 0.040 0.000 2.151 215 I HA -0.238 3.931 4.170 -0.002 0.000 0.243 215 I C 2.658 178.869 176.117 0.157 0.000 1.080 215 I CA 1.504 62.862 61.300 0.096 0.000 1.339 215 I CB -0.263 37.796 38.000 0.098 0.000 1.039 215 I HN 0.656 nan 8.210 nan 0.000 0.409 216 K N 1.385 121.822 120.400 0.063 0.000 2.152 216 K HA -0.229 4.090 4.320 -0.002 0.000 0.206 216 K C 2.125 178.772 176.600 0.077 0.000 1.048 216 K CA 1.589 57.883 56.287 0.011 0.000 0.933 216 K CB -0.095 32.374 32.500 -0.051 0.000 0.721 216 K HN 0.339 nan 8.250 nan 0.000 0.447 217 A N 0.768 123.627 122.820 0.066 0.000 1.933 217 A HA -0.087 4.231 4.320 -0.002 0.000 0.218 217 A C 2.220 179.848 177.584 0.073 0.000 1.175 217 A CA 1.451 53.521 52.037 0.054 0.000 0.628 217 A CB -0.516 18.504 19.000 0.033 0.000 0.814 217 A HN 0.168 nan 8.150 nan 0.000 0.444 218 V N -1.059 118.915 119.914 0.099 0.000 2.216 218 V HA -0.255 3.864 4.120 -0.002 0.000 0.243 218 V C 2.177 178.341 176.094 0.116 0.000 1.044 218 V CA 2.241 64.587 62.300 0.077 0.000 0.995 218 V CB -1.091 30.767 31.823 0.058 0.000 0.633 218 V HN 0.541 nan 8.190 nan 0.000 0.446 219 F N 0.062 120.004 119.950 -0.014 0.000 2.064 219 F HA -0.348 4.178 4.527 -0.002 0.000 0.292 219 F C 2.251 178.046 175.800 -0.009 0.000 1.107 219 F CA 2.515 60.510 58.000 -0.008 0.000 1.243 219 F CB -0.926 38.072 39.000 -0.004 0.000 0.949 219 F HN 0.064 nan 8.300 nan 0.000 0.506 220 I N -0.471 120.228 120.570 0.215 0.000 2.181 220 I HA -0.376 3.793 4.170 -0.002 0.000 0.247 220 I C 2.660 178.805 176.117 0.047 0.000 1.081 220 I CA 1.656 63.018 61.300 0.104 0.000 1.340 220 I CB -1.343 36.695 38.000 0.064 0.000 1.036 220 I HN 0.323 nan 8.210 nan 0.000 0.417 221 G N 0.444 109.259 108.800 0.025 0.000 2.434 221 G HA2 -0.157 3.802 3.960 -0.002 0.000 0.214 221 G HA3 -0.157 3.802 3.960 -0.002 0.000 0.214 221 G C 1.679 176.569 174.900 -0.017 0.000 1.202 221 G CA 0.903 45.993 45.100 -0.016 0.000 0.788 221 G HN 0.233 nan 8.290 nan 0.000 0.539 222 V N 1.546 121.443 119.914 -0.029 0.000 2.231 222 V HA -0.277 3.842 4.120 -0.002 0.000 0.250 222 V C 2.812 178.895 176.094 -0.018 0.000 1.058 222 V CA 2.008 64.274 62.300 -0.056 0.000 1.022 222 V CB -0.607 31.133 31.823 -0.138 0.000 0.640 222 V HN 0.406 nan 8.190 nan 0.000 0.445 223 I N -0.921 119.657 120.570 0.013 0.000 2.091 223 I HA -0.345 3.824 4.170 -0.002 0.000 0.239 223 I C 2.675 178.819 176.117 0.045 0.000 1.061 223 I CA 1.799 63.126 61.300 0.044 0.000 1.317 223 I CB -0.485 37.562 38.000 0.078 0.000 1.031 223 I HN 0.283 nan 8.210 nan 0.000 0.401 224 M N 0.681 120.302 119.600 0.035 0.000 2.116 224 M HA -0.239 4.240 4.480 -0.002 0.000 0.255 224 M C 2.642 178.966 176.300 0.041 0.000 1.075 224 M CA 2.447 57.765 55.300 0.031 0.000 1.087 224 M CB -1.646 30.955 32.600 0.001 0.000 1.340 224 M HN 0.504 nan 8.290 nan 0.000 0.402 225 S N -0.872 114.845 115.700 0.027 0.000 2.335 225 S HA -0.105 4.364 4.470 -0.002 0.000 0.217 225 S C 1.960 176.614 174.600 0.090 0.000 1.032 225 S CA 1.760 59.983 58.200 0.038 0.000 0.985 225 S CB -0.900 62.300 63.200 -0.000 0.000 0.896 225 S HN 0.449 nan 8.310 nan 0.000 0.445 226 T N 3.111 117.709 114.554 0.074 0.000 2.653 226 T HA -0.090 4.259 4.350 -0.002 0.000 0.268 226 T C 1.732 176.542 174.700 0.183 0.000 1.035 226 T CA 1.969 64.140 62.100 0.118 0.000 1.154 226 T CB -0.702 68.210 68.868 0.074 0.000 0.862 226 T HN 0.438 nan 8.240 nan 0.000 0.441 227 I N 0.431 121.082 120.570 0.135 0.000 2.361 227 I HA -0.165 4.004 4.170 -0.002 0.000 0.251 227 I C 2.438 178.659 176.117 0.173 0.000 1.133 227 I CA 0.904 62.285 61.300 0.136 0.000 1.413 227 I CB -0.317 37.741 38.000 0.097 0.000 1.073 227 I HN 0.229 nan 8.210 nan 0.000 0.424 228 M N -0.633 119.080 119.600 0.188 0.000 2.175 228 M HA -0.208 4.271 4.480 -0.002 0.000 0.264 228 M C 2.390 178.888 176.300 0.329 0.000 1.063 228 M CA 1.745 57.194 55.300 0.249 0.000 1.119 228 M CB -1.209 31.484 32.600 0.156 0.000 1.377 228 M HN 0.261 nan 8.290 nan 0.000 0.415 229 Y N 1.694 122.086 120.300 0.153 0.000 2.163 229 Y HA -0.164 4.385 4.550 -0.002 0.000 0.288 229 Y C 2.384 178.386 175.900 0.169 0.000 1.136 229 Y CA 1.721 59.907 58.100 0.144 0.000 1.147 229 Y CB -0.129 38.388 38.460 0.094 0.000 0.987 229 Y HN 0.090 nan 8.280 nan 0.000 0.509 230 R N 0.268 120.833 120.500 0.108 0.000 2.081 230 R HA -0.147 4.191 4.340 -0.002 0.000 0.235 230 R C 2.161 178.463 176.300 0.003 0.000 1.131 230 R CA 1.441 57.558 56.100 0.028 0.000 0.960 230 R CB -1.018 29.364 30.300 0.137 0.000 0.856 230 R HN 0.412 nan 8.270 nan 0.000 0.436 231 I N 0.343 120.951 120.570 0.064 0.000 2.315 231 I HA -0.242 3.927 4.170 -0.002 0.000 0.251 231 I C 1.537 177.395 176.117 -0.432 0.000 1.125 231 I CA 1.606 62.845 61.300 -0.102 0.000 1.392 231 I CB -0.610 37.316 38.000 -0.124 0.000 1.065 231 I HN 0.014 nan 8.210 nan 0.000 0.424 232 F N -0.427 119.374 119.950 -0.248 0.000 2.724 232 F HA 0.232 4.759 4.527 -0.001 0.000 0.306 232 F C 1.058 176.552 175.800 -0.510 0.000 1.100 232 F CA -0.076 57.726 58.000 -0.330 0.000 1.255 232 F CB -0.060 38.830 39.000 -0.183 0.000 1.072 232 F HN 0.009 nan 8.300 nan 0.000 0.589 233 N N 0.263 118.658 118.700 -0.508 0.000 2.610 233 N HA 0.079 4.818 4.740 -0.002 0.000 0.307 233 N C -0.408 174.848 175.510 -0.423 0.000 1.813 233 N CA -0.009 52.691 53.050 -0.583 0.000 0.901 233 N CB 0.267 38.125 38.487 -1.047 0.000 1.354 233 N HN 0.322 nan 8.380 nan 0.000 0.491 234 H N -0.454 118.527 119.070 -0.148 0.000 2.423 234 H HA 0.388 4.943 4.556 -0.001 0.000 0.309 234 H C 0.820 176.124 175.328 -0.040 0.000 1.584 234 H CA -0.131 55.873 56.048 -0.074 0.000 1.504 234 H CB 0.297 30.023 29.762 -0.060 0.000 1.740 234 H HN -0.198 nan 8.280 nan 0.000 0.744 235 E N -2.015 118.330 120.200 0.242 0.000 3.313 235 E HA -0.159 4.190 4.350 -0.002 0.000 0.283 235 E C -0.916 175.732 176.600 0.080 0.000 0.941 235 E CA 1.193 57.676 56.400 0.138 0.000 0.907 235 E CB -1.683 28.113 29.700 0.160 0.000 1.458 235 E HN 0.405 nan 8.360 nan 0.000 0.463 236 V N -1.796 118.161 119.914 0.071 0.000 3.036 236 V HA 0.686 4.805 4.120 -0.002 0.000 0.288 236 V C -0.043 176.089 176.094 0.064 0.000 1.407 236 V CA -0.508 61.824 62.300 0.053 0.000 0.983 236 V CB 2.061 33.910 31.823 0.044 0.000 1.128 236 V HN 0.202 nan 8.190 nan 0.000 0.439 237 A N 2.519 125.365 122.820 0.044 0.000 2.298 237 A HA 0.893 5.212 4.320 -0.002 0.000 0.302 237 A C 0.623 178.210 177.584 0.004 0.000 1.177 237 A CA -0.390 51.667 52.037 0.035 0.000 0.912 237 A CB 0.716 19.716 19.000 -0.001 0.000 1.331 237 A HN 0.842 nan 8.150 nan 0.000 0.504 238 L N -0.856 120.326 121.223 -0.069 0.000 2.189 238 L HA 0.282 4.621 4.340 -0.002 0.000 0.199 238 L C -0.011 176.685 176.870 -0.290 0.000 1.074 238 L CA 0.853 55.580 54.840 -0.190 0.000 0.783 238 L CB -0.167 41.679 42.059 -0.355 0.000 0.955 238 L HN 0.478 nan 8.230 nan 0.000 0.460 239 I N -0.279 120.105 120.570 -0.310 0.000 2.433 239 I HA 0.273 4.442 4.170 -0.002 0.000 0.292 239 I C -1.163 174.874 176.117 -0.134 0.000 1.001 239 I CA -0.432 60.718 61.300 -0.252 0.000 1.119 239 I CB 2.139 39.947 38.000 -0.320 0.000 1.289 239 I HN -0.063 nan 8.210 nan 0.000 0.438 240 D N 5.679 126.030 120.400 -0.082 0.000 2.358 240 D HA 0.289 4.928 4.640 -0.002 0.000 0.253 240 D C -0.099 176.180 176.300 -0.035 0.000 1.288 240 D CA -0.205 53.766 54.000 -0.049 0.000 0.950 240 D CB 1.957 42.738 40.800 -0.030 0.000 1.197 240 D HN 0.227 nan 8.370 nan 0.000 0.550 241 V N 2.361 122.255 119.914 -0.034 0.000 3.483 241 V HA 0.392 4.511 4.120 -0.002 0.000 0.301 241 V C 1.566 177.650 176.094 -0.016 0.000 1.389 241 V CA 0.336 62.623 62.300 -0.022 0.000 1.101 241 V CB -0.227 31.584 31.823 -0.021 0.000 0.971 241 V HN 0.769 nan 8.190 nan 0.000 0.434 242 G N 1.982 110.772 108.800 -0.017 0.000 2.552 242 G HA2 -0.321 3.638 3.960 -0.002 0.000 0.265 242 G HA3 -0.321 3.638 3.960 -0.002 0.000 0.265 242 G C -0.068 174.826 174.900 -0.011 0.000 1.234 242 G CA 0.437 45.530 45.100 -0.011 0.000 0.944 242 G HN 0.635 nan 8.290 nan 0.000 0.568 243 K N 0.829 121.225 120.400 -0.007 0.000 2.464 243 K HA 0.662 4.980 4.320 -0.002 0.000 0.252 243 K C 0.636 177.231 176.600 -0.008 0.000 1.000 243 K CA -0.623 55.659 56.287 -0.008 0.000 0.951 243 K CB 0.112 32.609 32.500 -0.005 0.000 1.183 243 K HN 0.574 nan 8.250 nan 0.000 0.445 244 L N 1.733 122.949 121.223 -0.012 0.000 2.482 244 L HA 0.328 4.666 4.340 -0.002 0.000 0.242 244 L C 0.974 177.835 176.870 -0.015 0.000 1.210 244 L CA -0.718 54.117 54.840 -0.008 0.000 0.819 244 L CB 0.391 42.444 42.059 -0.010 0.000 1.203 244 L HN 0.791 nan 8.230 nan 0.000 0.495 245 S N -1.251 114.444 115.700 -0.008 0.000 2.633 245 S HA 0.175 4.644 4.470 -0.002 0.000 0.257 245 S C -0.479 174.095 174.600 -0.044 0.000 1.265 245 S CA -0.820 57.372 58.200 -0.013 0.000 0.980 245 S CB 0.783 63.991 63.200 0.014 0.000 1.017 245 S HN 0.483 nan 8.310 nan 0.000 0.577 246 D N 0.054 120.426 120.400 -0.048 0.000 2.529 246 D HA 0.694 5.333 4.640 -0.002 0.000 0.273 246 D C -0.665 175.581 176.300 -0.090 0.000 1.197 246 D CA -0.290 53.660 54.000 -0.083 0.000 1.070 246 D CB 0.916 41.674 40.800 -0.070 0.000 1.134 246 D HN 0.818 nan 8.370 nan 0.000 0.590 247 A N 0.823 123.564 122.820 -0.131 0.000 2.522 247 A HA 0.558 4.877 4.320 -0.002 0.000 0.285 247 A C -2.530 174.982 177.584 -0.120 0.000 1.198 247 A CA -1.221 50.732 52.037 -0.139 0.000 0.742 247 A CB 0.420 19.249 19.000 -0.284 0.000 1.176 247 A HN 0.264 nan 8.150 nan 0.000 0.444 248 P HA 0.075 nan 4.420 nan 0.000 0.267 248 P C 1.148 178.398 177.300 -0.084 0.000 1.201 248 P CA -0.254 62.800 63.100 -0.076 0.000 0.775 248 P CB 0.579 32.239 31.700 -0.067 0.000 0.854 249 L N 1.338 122.524 121.223 -0.062 0.000 2.042 249 L HA -0.194 4.145 4.340 -0.002 0.000 0.210 249 L C 1.838 178.702 176.870 -0.012 0.000 1.076 249 L CA 1.668 56.485 54.840 -0.039 0.000 0.749 249 L CB -0.926 41.117 42.059 -0.026 0.000 0.893 249 L HN 0.532 nan 8.230 nan 0.000 0.432 250 N N -1.186 117.487 118.700 -0.045 0.000 2.626 250 N HA -0.122 4.617 4.740 -0.002 0.000 0.193 250 N C 1.079 176.522 175.510 -0.112 0.000 1.213 250 N CA 1.006 54.029 53.050 -0.044 0.000 0.914 250 N CB -0.379 38.062 38.487 -0.077 0.000 0.994 250 N HN 0.172 nan 8.380 nan 0.000 0.447 251 T N 0.145 114.642 114.554 -0.095 0.000 2.969 251 T HA 0.296 4.645 4.350 -0.002 0.000 0.250 251 T C 1.747 176.520 174.700 0.122 0.000 1.021 251 T CA -0.372 61.663 62.100 -0.109 0.000 1.003 251 T CB 0.292 69.098 68.868 -0.104 0.000 1.040 251 T HN 0.054 nan 8.240 nan 0.000 0.492 252 L N 1.601 122.918 121.223 0.157 0.000 2.010 252 L HA -0.192 4.147 4.340 -0.002 0.000 0.219 252 L C 2.868 179.895 176.870 0.260 0.000 1.077 252 L CA 2.060 57.009 54.840 0.183 0.000 0.773 252 L CB -0.833 41.280 42.059 0.089 0.000 0.892 252 L HN 0.568 nan 8.230 nan 0.000 0.436 253 W N 0.639 122.005 121.300 0.110 0.000 2.313 253 W HA -0.240 4.419 4.660 -0.002 0.000 0.293 253 W C 1.832 178.440 176.519 0.149 0.000 1.216 253 W CA 0.971 58.381 57.345 0.109 0.000 1.223 253 W CB -1.403 28.103 29.460 0.077 0.000 1.138 253 W HN 0.200 nan 8.180 nan 0.000 0.535 254 L N -0.183 120.541 121.223 -0.831 0.000 2.191 254 L HA -0.236 4.103 4.340 -0.002 0.000 0.212 254 L C 2.462 179.179 176.870 -0.256 0.000 1.103 254 L CA 1.631 56.029 54.840 -0.737 0.000 0.769 254 L CB -0.870 40.805 42.059 -0.641 0.000 0.908 254 L HN -0.080 nan 8.230 nan 0.000 0.438 255 Y N -1.316 118.938 120.300 -0.076 0.000 2.475 255 Y HA -0.122 4.427 4.550 -0.002 0.000 0.289 255 Y C 2.063 177.898 175.900 -0.108 0.000 1.121 255 Y CA 0.288 58.334 58.100 -0.090 0.000 1.257 255 Y CB -0.043 38.348 38.460 -0.115 0.000 1.026 255 Y HN 0.067 nan 8.280 nan 0.000 0.555 256 L N -0.139 121.139 121.223 0.092 0.000 2.109 256 L HA -0.064 4.275 4.340 -0.002 0.000 0.207 256 L C 1.901 178.795 176.870 0.040 0.000 1.086 256 L CA 1.572 56.463 54.840 0.085 0.000 0.760 256 L CB -0.540 41.607 42.059 0.146 0.000 0.910 256 L HN 0.178 nan 8.230 nan 0.000 0.437 257 I N -0.853 119.724 120.570 0.011 0.000 2.315 257 I HA -0.242 3.927 4.170 -0.002 0.000 0.248 257 I C 2.281 178.302 176.117 -0.159 0.000 1.117 257 I CA 1.053 62.361 61.300 0.014 0.000 1.404 257 I CB -0.220 37.842 38.000 0.103 0.000 1.071 257 I HN 0.340 nan 8.210 nan 0.000 0.419 258 L N 0.834 121.757 121.223 -0.500 0.000 2.191 258 L HA -0.038 4.300 4.340 -0.002 0.000 0.212 258 L C 2.132 178.907 176.870 -0.158 0.000 1.103 258 L CA 1.956 56.335 54.840 -0.769 0.000 0.769 258 L CB -0.895 40.535 42.059 -1.048 0.000 0.908 258 L HN 0.135 nan 8.230 nan 0.000 0.438 259 G N -0.381 108.380 108.800 -0.064 0.000 2.396 259 G HA2 -0.143 3.815 3.960 -0.002 0.000 0.214 259 G HA3 -0.143 3.815 3.960 -0.002 0.000 0.214 259 G C 1.593 176.541 174.900 0.080 0.000 1.166 259 G CA 0.806 45.932 45.100 0.043 0.000 0.793 259 G HN 0.445 nan 8.290 nan 0.000 0.533 260 I N 0.526 121.129 120.570 0.056 0.000 2.286 260 I HA -0.134 4.035 4.170 -0.002 0.000 0.248 260 I C 2.588 178.752 176.117 0.079 0.000 1.115 260 I CA 0.614 61.962 61.300 0.080 0.000 1.392 260 I CB -0.147 37.906 38.000 0.089 0.000 1.065 260 I HN 0.171 nan 8.210 nan 0.000 0.418 261 I N 0.218 120.811 120.570 0.038 0.000 2.060 261 I HA -0.330 3.839 4.170 -0.002 0.000 0.233 261 I C 2.370 178.509 176.117 0.036 0.000 1.054 261 I CA 1.787 63.082 61.300 -0.008 0.000 1.318 261 I CB -0.472 37.451 38.000 -0.128 0.000 1.054 261 I HN 0.029 nan 8.210 nan 0.000 0.395 262 F N 1.118 121.059 119.950 -0.015 0.000 2.214 262 F HA -0.259 4.267 4.527 -0.002 0.000 0.302 262 F C 2.419 178.269 175.800 0.083 0.000 1.063 262 F CA 1.564 59.594 58.000 0.049 0.000 1.319 262 F CB -0.869 38.126 39.000 -0.009 0.000 1.046 262 F HN 0.130 nan 8.300 nan 0.000 0.505 263 G N 0.421 109.354 108.800 0.221 0.000 2.418 263 G HA2 -0.224 3.735 3.960 -0.002 0.000 0.217 263 G HA3 -0.224 3.735 3.960 -0.002 0.000 0.217 263 G C 1.593 176.559 174.900 0.110 0.000 1.158 263 G CA 1.059 46.240 45.100 0.136 0.000 0.771 263 G HN 0.554 nan 8.290 nan 0.000 0.545 264 I N -3.245 117.395 120.570 0.118 0.000 2.716 264 I HA 0.309 4.478 4.170 -0.002 0.000 0.259 264 I C 2.342 178.515 176.117 0.094 0.000 1.172 264 I CA 0.489 61.846 61.300 0.094 0.000 1.478 264 I CB -0.181 37.876 38.000 0.095 0.000 1.104 264 I HN 0.053 nan 8.210 nan 0.000 0.439 265 F N 2.763 122.695 119.950 -0.030 0.000 2.512 265 F HA 0.342 4.868 4.527 -0.002 0.000 0.296 265 F C 2.211 177.977 175.800 -0.057 0.000 1.110 265 F CA 0.785 58.742 58.000 -0.072 0.000 1.446 265 F CB -0.318 38.631 39.000 -0.084 0.000 1.092 265 F HN 0.038 nan 8.300 nan 0.000 0.554 266 G N 1.314 110.119 108.800 0.009 0.000 2.476 266 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.218 266 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.218 266 G C -0.700 174.099 174.900 -0.167 0.000 1.164 266 G CA 1.027 46.100 45.100 -0.046 0.000 0.768 266 G HN 0.302 nan 8.290 nan 0.000 0.560 267 P HA -0.010 nan 4.420 nan 0.000 0.216 267 P C 1.971 179.085 177.300 -0.310 0.000 1.153 267 P CA 0.677 63.678 63.100 -0.165 0.000 0.848 267 P CB -0.058 31.583 31.700 -0.098 0.000 0.787 268 I N -1.893 118.398 120.570 -0.464 0.000 2.163 268 I HA -0.267 3.902 4.170 -0.002 0.000 0.243 268 I C 2.201 177.595 176.117 -1.206 0.000 1.085 268 I CA 1.481 62.307 61.300 -0.790 0.000 1.347 268 I CB -0.687 36.798 38.000 -0.857 0.000 1.044 268 I HN -0.117 nan 8.210 nan 0.000 0.408 269 F N 1.817 120.985 119.950 -1.304 0.000 2.333 269 F HA -0.173 4.353 4.527 -0.002 0.000 0.300 269 F C 2.016 177.563 175.800 -0.422 0.000 1.083 269 F CA 1.553 58.978 58.000 -0.958 0.000 1.395 269 F CB -0.613 37.896 39.000 -0.819 0.000 1.056 269 F HN 0.096 nan 8.300 nan 0.000 0.529 270 N N -0.078 118.395 118.700 -0.377 0.000 2.135 270 N HA -0.149 4.590 4.740 -0.002 0.000 0.186 270 N C 1.734 177.118 175.510 -0.211 0.000 1.027 270 N CA 0.955 53.855 53.050 -0.250 0.000 0.849 270 N CB -0.026 38.381 38.487 -0.133 0.000 1.002 270 N HN 0.245 nan 8.380 nan 0.000 0.425 271 K N 0.369 120.634 120.400 -0.225 0.000 2.044 271 K HA -0.177 4.142 4.320 -0.002 0.000 0.210 271 K C 1.791 178.416 176.600 0.042 0.000 1.049 271 K CA 1.347 57.578 56.287 -0.092 0.000 0.927 271 K CB -0.151 32.294 32.500 -0.091 0.000 0.713 271 K HN 0.301 nan 8.250 nan 0.000 0.443 272 W N 0.475 121.671 121.300 -0.173 0.000 2.354 272 W HA -0.147 4.512 4.660 -0.002 0.000 0.315 272 W C 2.239 178.628 176.519 -0.217 0.000 1.206 272 W CA 0.229 57.464 57.345 -0.183 0.000 1.290 272 W CB -1.412 27.927 29.460 -0.203 0.000 1.152 272 W HN -0.055 nan 8.180 nan 0.000 0.489 273 V N 0.906 120.741 119.914 -0.132 0.000 2.453 273 V HA -0.283 3.836 4.120 -0.002 0.000 0.252 273 V C 1.950 178.052 176.094 0.014 0.000 1.068 273 V CA 1.897 64.121 62.300 -0.127 0.000 1.070 273 V CB -0.432 31.235 31.823 -0.260 0.000 0.664 273 V HN 0.126 nan 8.190 nan 0.000 0.461 274 L N -0.082 121.144 121.223 0.005 0.000 2.062 274 L HA 0.191 4.530 4.340 -0.002 0.000 0.202 274 L C 2.805 179.691 176.870 0.026 0.000 1.079 274 L CA 1.421 56.276 54.840 0.025 0.000 0.755 274 L CB -1.424 40.645 42.059 0.017 0.000 0.913 274 L HN 0.391 nan 8.230 nan 0.000 0.445 275 G N 0.017 108.839 108.800 0.037 0.000 2.547 275 G HA2 -0.397 3.562 3.960 -0.002 0.000 0.221 275 G HA3 -0.397 3.562 3.960 -0.002 0.000 0.221 275 G C 1.541 176.450 174.900 0.015 0.000 1.140 275 G CA 1.355 46.475 45.100 0.033 0.000 0.760 275 G HN 0.172 nan 8.290 nan 0.000 0.583 276 M N 0.190 119.802 119.600 0.020 0.000 2.267 276 M HA -0.021 4.458 4.480 -0.002 0.000 0.263 276 M C 2.462 178.764 176.300 0.003 0.000 1.063 276 M CA 1.471 56.772 55.300 0.001 0.000 1.090 276 M CB -0.412 32.195 32.600 0.012 0.000 1.392 276 M HN 0.392 nan 8.290 nan 0.000 0.422 277 Q N -0.357 119.453 119.800 0.016 0.000 2.084 277 Q HA -0.187 4.152 4.340 -0.002 0.000 0.202 277 Q C 1.428 177.433 176.000 0.007 0.000 0.978 277 Q CA 1.761 57.576 55.803 0.020 0.000 0.844 277 Q CB 0.034 28.781 28.738 0.015 0.000 0.898 277 Q HN 0.523 nan 8.270 nan 0.000 0.426 278 D N 0.339 120.735 120.400 -0.007 0.000 2.085 278 D HA -0.169 4.470 4.640 -0.002 0.000 0.199 278 D C 1.878 178.166 176.300 -0.020 0.000 0.981 278 D CA 0.720 54.712 54.000 -0.013 0.000 0.834 278 D CB -0.421 40.369 40.800 -0.016 0.000 0.992 278 D HN 0.229 nan 8.370 nan 0.000 0.457 279 L N 0.593 121.792 121.223 -0.040 0.000 2.043 279 L HA -0.157 4.182 4.340 -0.002 0.000 0.212 279 L C 2.271 179.061 176.870 -0.133 0.000 1.075 279 L CA 1.037 55.833 54.840 -0.073 0.000 0.752 279 L CB -0.131 41.892 42.059 -0.061 0.000 0.891 279 L HN 0.015 nan 8.230 nan 0.000 0.432 280 L N -1.090 120.059 121.223 -0.124 0.000 2.465 280 L HA -0.202 4.137 4.340 -0.002 0.000 0.224 280 L C 2.301 178.886 176.870 -0.474 0.000 1.145 280 L CA 0.509 55.228 54.840 -0.203 0.000 0.834 280 L CB -0.449 41.561 42.059 -0.082 0.000 0.944 280 L HN 0.404 nan 8.230 nan 0.000 0.451 281 H N 0.337 119.110 119.070 -0.494 0.000 2.333 281 H HA -0.072 4.483 4.556 -0.002 0.000 0.302 281 H C 2.343 177.147 175.328 -0.874 0.000 1.075 281 H CA 1.507 57.126 56.048 -0.715 0.000 1.348 281 H CB 0.229 29.842 29.762 -0.248 0.000 1.393 281 H HN 0.080 nan 8.280 nan 0.000 0.509 282 R N -0.242 119.977 120.500 -0.468 0.000 2.097 282 R HA -0.136 4.202 4.340 -0.002 0.000 0.236 282 R C 2.273 178.285 176.300 -0.480 0.000 1.135 282 R CA 1.803 57.678 56.100 -0.375 0.000 0.934 282 R CB -0.864 29.317 30.300 -0.197 0.000 0.846 282 R HN 0.170 nan 8.270 nan 0.000 0.431 283 V N 1.528 121.158 119.914 -0.473 0.000 2.708 283 V HA -0.269 3.850 4.120 -0.002 0.000 0.264 283 V C 1.473 177.362 176.094 -0.340 0.000 1.124 283 V CA 2.388 64.469 62.300 -0.364 0.000 1.138 283 V CB -1.126 30.511 31.823 -0.309 0.000 0.706 283 V HN 0.640 nan 8.190 nan 0.000 0.493 284 H N -3.432 115.446 119.070 -0.320 0.000 3.622 284 H HA 0.485 5.040 4.556 -0.002 0.000 0.259 284 H C 1.622 176.788 175.328 -0.271 0.000 1.145 284 H CA 0.340 56.225 56.048 -0.271 0.000 1.178 284 H CB 0.021 29.589 29.762 -0.324 0.000 1.542 284 H HN 0.184 nan 8.280 nan 0.000 0.586 285 G N 0.456 109.034 108.800 -0.370 0.000 2.623 285 G HA2 -0.283 3.676 3.960 -0.002 0.000 0.241 285 G HA3 -0.283 3.676 3.960 -0.002 0.000 0.241 285 G C 1.405 176.172 174.900 -0.221 0.000 1.114 285 G CA 1.466 46.395 45.100 -0.285 0.000 0.682 285 G HN 1.595 nan 8.290 nan 0.000 0.524 286 G N -0.671 108.170 108.800 0.068 0.000 3.578 286 G HA2 0.075 4.034 3.960 -0.002 0.000 0.220 286 G HA3 0.075 4.034 3.960 -0.002 0.000 0.220 286 G C -0.037 175.024 174.900 0.267 0.000 0.933 286 G CA 0.619 45.872 45.100 0.256 0.000 0.847 286 G HN 1.494 nan 8.290 nan 0.000 0.612 287 N N 1.470 120.278 118.700 0.181 0.000 2.411 287 N HA 0.153 4.892 4.740 -0.002 0.000 0.265 287 N C 1.578 177.201 175.510 0.188 0.000 1.266 287 N CA 0.356 53.493 53.050 0.145 0.000 0.889 287 N CB 0.306 38.852 38.487 0.099 0.000 1.069 287 N HN 0.261 nan 8.380 nan 0.000 0.476 288 I N 2.621 123.274 120.570 0.137 0.000 2.194 288 I HA -0.370 3.799 4.170 -0.002 0.000 0.246 288 I C 1.371 177.572 176.117 0.141 0.000 1.093 288 I CA 1.528 62.901 61.300 0.122 0.000 1.355 288 I CB -0.071 37.982 38.000 0.088 0.000 1.046 288 I HN 0.661 nan 8.210 nan 0.000 0.413 289 T N 0.246 114.861 114.554 0.102 0.000 2.770 289 T HA -0.146 4.203 4.350 -0.002 0.000 0.263 289 T C 1.750 176.507 174.700 0.095 0.000 1.039 289 T CA 1.039 63.183 62.100 0.074 0.000 1.142 289 T CB -0.112 68.776 68.868 0.033 0.000 0.868 289 T HN 0.298 nan 8.240 nan 0.000 0.435 290 K N -0.191 120.274 120.400 0.109 0.000 2.442 290 K HA -0.088 4.231 4.320 -0.002 0.000 0.198 290 K C 1.786 178.482 176.600 0.160 0.000 1.044 290 K CA 0.619 56.969 56.287 0.106 0.000 0.948 290 K CB 0.038 32.594 32.500 0.094 0.000 0.762 290 K HN 0.403 nan 8.250 nan 0.000 0.472 291 W N 0.231 121.500 121.300 -0.052 0.000 2.726 291 W HA -0.004 4.655 4.660 -0.002 0.000 0.285 291 W C 1.581 177.997 176.519 -0.173 0.000 1.110 291 W CA 0.206 57.436 57.345 -0.192 0.000 1.579 291 W CB -0.512 28.721 29.460 -0.379 0.000 1.118 291 W HN -0.307 nan 8.180 nan 0.000 0.556 292 V N 1.776 121.815 119.914 0.208 0.000 2.546 292 V HA -0.310 3.809 4.120 -0.002 0.000 0.254 292 V C 2.314 178.403 176.094 -0.008 0.000 1.076 292 V CA 1.644 63.998 62.300 0.090 0.000 1.087 292 V CB -0.893 30.991 31.823 0.102 0.000 0.674 292 V HN 0.111 nan 8.190 nan 0.000 0.470 293 L N -1.329 119.902 121.223 0.013 0.000 2.102 293 L HA -0.068 4.271 4.340 -0.002 0.000 0.202 293 L C 2.389 179.233 176.870 -0.045 0.000 1.076 293 L CA 1.490 56.325 54.840 -0.008 0.000 0.761 293 L CB -0.402 41.666 42.059 0.016 0.000 0.921 293 L HN 0.320 nan 8.230 nan 0.000 0.444 294 M N -0.126 119.449 119.600 -0.041 0.000 2.446 294 M HA -0.118 4.361 4.480 -0.002 0.000 0.263 294 M C 1.780 177.971 176.300 -0.180 0.000 1.066 294 M CA 1.692 56.952 55.300 -0.067 0.000 1.087 294 M CB -0.239 32.339 32.600 -0.037 0.000 1.406 294 M HN 0.245 nan 8.290 nan 0.000 0.459 295 G N -0.687 107.887 108.800 -0.376 0.000 2.395 295 G HA2 -0.053 3.905 3.960 -0.002 0.000 0.214 295 G HA3 -0.053 3.905 3.960 -0.002 0.000 0.214 295 G C 1.361 176.075 174.900 -0.310 0.000 1.177 295 G CA 0.550 45.154 45.100 -0.827 0.000 0.794 295 G HN 0.573 nan 8.290 nan 0.000 0.532 296 G N 0.879 109.577 108.800 -0.169 0.000 2.471 296 G HA2 0.139 4.098 3.960 -0.002 0.000 0.219 296 G HA3 0.139 4.098 3.960 -0.002 0.000 0.219 296 G C 1.871 176.678 174.900 -0.155 0.000 1.125 296 G CA 1.440 46.478 45.100 -0.102 0.000 0.775 296 G HN 0.604 nan 8.290 nan 0.000 0.548 297 A N 1.171 123.941 122.820 -0.084 0.000 1.840 297 A HA 0.095 4.414 4.320 -0.002 0.000 0.214 297 A C 2.324 179.880 177.584 -0.047 0.000 1.198 297 A CA 1.216 53.247 52.037 -0.009 0.000 0.608 297 A CB -0.338 18.682 19.000 0.033 0.000 0.839 297 A HN 0.338 nan 8.150 nan 0.000 0.443 298 I N -0.103 120.444 120.570 -0.037 0.000 2.493 298 I HA -0.126 4.043 4.170 -0.002 0.000 0.254 298 I C 2.559 178.671 176.117 -0.009 0.000 1.160 298 I CA 0.925 62.230 61.300 0.008 0.000 1.445 298 I CB -0.667 37.367 38.000 0.057 0.000 1.086 298 I HN 0.376 nan 8.210 nan 0.000 0.433 299 G N 0.897 109.670 108.800 -0.046 0.000 2.402 299 G HA2 -0.133 3.826 3.960 -0.002 0.000 0.216 299 G HA3 -0.133 3.826 3.960 -0.002 0.000 0.216 299 G C 1.714 176.499 174.900 -0.191 0.000 1.162 299 G CA 0.782 45.855 45.100 -0.044 0.000 0.777 299 G HN 0.484 nan 8.290 nan 0.000 0.539 300 G N 0.647 109.161 108.800 -0.477 0.000 2.464 300 G HA2 0.012 3.971 3.960 -0.002 0.000 0.217 300 G HA3 0.012 3.971 3.960 -0.002 0.000 0.217 300 G C 1.718 176.363 174.900 -0.425 0.000 1.138 300 G CA 0.863 45.407 45.100 -0.926 0.000 0.793 300 G HN 0.440 nan 8.290 nan 0.000 0.539 301 L N 0.494 121.621 121.223 -0.160 0.000 2.083 301 L HA -0.004 4.335 4.340 -0.002 0.000 0.209 301 L C 2.453 179.365 176.870 0.069 0.000 1.083 301 L CA 1.690 56.583 54.840 0.088 0.000 0.752 301 L CB -0.843 41.270 42.059 0.091 0.000 0.899 301 L HN 0.177 nan 8.230 nan 0.000 0.433 302 C N 0.263 119.577 119.300 0.022 0.000 2.467 302 C HA 0.152 4.611 4.460 -0.002 0.000 0.279 302 C C 2.674 177.693 174.990 0.048 0.000 1.347 302 C CA 0.399 59.444 59.018 0.045 0.000 1.748 302 C CB -1.729 26.038 27.740 0.046 0.000 1.977 302 C HN 0.755 nan 8.230 nan 0.000 0.501 303 G N -0.099 108.707 108.800 0.010 0.000 2.559 303 G HA2 -0.073 3.886 3.960 -0.002 0.000 0.216 303 G HA3 -0.073 3.886 3.960 -0.002 0.000 0.216 303 G C 1.433 176.381 174.900 0.080 0.000 1.126 303 G CA 0.488 45.602 45.100 0.024 0.000 0.778 303 G HN 0.448 nan 8.290 nan 0.000 0.543 304 L N 0.055 121.345 121.223 0.111 0.000 2.062 304 L HA 0.312 4.650 4.340 -0.002 0.000 0.202 304 L C 2.684 179.670 176.870 0.192 0.000 1.079 304 L CA 0.986 55.924 54.840 0.164 0.000 0.755 304 L CB -0.436 41.745 42.059 0.205 0.000 0.913 304 L HN 0.127 nan 8.230 nan 0.000 0.445 305 L N -0.173 121.145 121.223 0.158 0.000 2.189 305 L HA -0.178 4.160 4.340 -0.002 0.000 0.214 305 L C 2.168 179.128 176.870 0.149 0.000 1.097 305 L CA 1.096 56.027 54.840 0.151 0.000 0.764 305 L CB -1.310 40.817 42.059 0.114 0.000 0.900 305 L HN 0.498 nan 8.230 nan 0.000 0.436 306 G N -1.634 107.254 108.800 0.146 0.000 2.807 306 G HA2 -0.190 3.768 3.960 -0.002 0.000 0.207 306 G HA3 -0.190 3.768 3.960 -0.002 0.000 0.207 306 G C 1.058 176.074 174.900 0.193 0.000 1.151 306 G CA 0.195 45.377 45.100 0.136 0.000 0.800 306 G HN 0.393 nan 8.290 nan 0.000 0.523 307 F N -0.311 119.672 119.950 0.054 0.000 2.455 307 F HA 0.128 4.654 4.527 -0.002 0.000 0.278 307 F C 1.987 177.829 175.800 0.070 0.000 0.887 307 F CA 0.513 58.543 58.000 0.049 0.000 1.104 307 F CB 0.303 39.316 39.000 0.021 0.000 0.949 307 F HN 0.004 nan 8.300 nan 0.000 0.750 308 V N -0.630 119.420 119.914 0.227 0.000 3.623 308 V HA 0.616 4.735 4.120 -0.002 0.000 0.271 308 V C 0.394 176.548 176.094 0.099 0.000 1.248 308 V CA 0.831 63.226 62.300 0.158 0.000 1.156 308 V CB -0.689 31.281 31.823 0.245 0.000 0.870 308 V HN 0.613 nan 8.190 nan 0.000 0.453 309 A N -0.681 122.193 122.820 0.091 0.000 2.051 309 A HA 0.439 4.758 4.320 -0.002 0.000 0.234 309 A C -1.489 176.167 177.584 0.120 0.000 2.211 309 A CA 0.097 52.207 52.037 0.123 0.000 1.967 309 A CB -0.716 18.414 19.000 0.217 0.000 0.646 309 A HN 0.327 nan 8.150 nan 0.000 0.933 310 P HA -0.306 nan 4.420 nan 0.000 0.220 310 P C 1.712 179.066 177.300 0.089 0.000 1.149 310 P CA 2.387 65.537 63.100 0.082 0.000 0.829 310 P CB 0.228 31.967 31.700 0.064 0.000 0.772 311 A N -1.144 121.739 122.820 0.105 0.000 2.066 311 A HA -0.125 4.193 4.320 -0.002 0.000 0.218 311 A C 2.130 179.727 177.584 0.022 0.000 1.157 311 A CA 2.008 54.091 52.037 0.077 0.000 0.670 311 A CB -1.496 17.544 19.000 0.066 0.000 0.804 311 A HN 0.358 nan 8.150 nan 0.000 0.453 312 T N -3.589 110.982 114.554 0.028 0.000 3.035 312 T HA 0.134 4.483 4.350 -0.002 0.000 0.259 312 T C 1.361 176.057 174.700 -0.007 0.000 1.078 312 T CA 0.971 63.044 62.100 -0.045 0.000 1.132 312 T CB -0.211 68.620 68.868 -0.061 0.000 0.900 312 T HN 0.280 nan 8.240 nan 0.000 0.480 313 S N -0.262 115.458 115.700 0.033 0.000 2.590 313 S HA 0.610 5.079 4.470 -0.002 0.000 0.282 313 S C 0.857 175.479 174.600 0.037 0.000 1.136 313 S CA 0.276 58.501 58.200 0.042 0.000 1.030 313 S CB 0.294 63.532 63.200 0.063 0.000 1.195 313 S HN 1.377 nan 8.310 nan 0.000 0.506 314 G N -0.469 108.355 108.800 0.040 0.000 2.916 314 G HA2 -0.073 3.886 3.960 -0.002 0.000 0.533 314 G HA3 -0.073 3.886 3.960 -0.002 0.000 0.533 314 G C 0.848 175.749 174.900 0.001 0.000 1.516 314 G CA -0.011 45.107 45.100 0.030 0.000 0.944 314 G HN 1.411 nan 8.290 nan 0.000 0.555 315 G N -0.575 108.210 108.800 -0.024 0.000 2.553 315 G HA2 0.318 4.277 3.960 -0.002 0.000 0.218 315 G HA3 0.318 4.277 3.960 -0.002 0.000 0.218 315 G C 1.899 176.702 174.900 -0.162 0.000 1.195 315 G CA 2.693 47.729 45.100 -0.107 0.000 0.779 315 G HN 2.717 nan 8.290 nan 0.000 0.577 316 G N -1.747 106.981 108.800 -0.119 0.000 2.485 316 G HA2 -0.153 3.806 3.960 -0.002 0.000 0.181 316 G HA3 -0.153 3.806 3.960 -0.002 0.000 0.181 316 G C 1.126 176.065 174.900 0.065 0.000 0.999 316 G CA 0.402 45.465 45.100 -0.061 0.000 0.721 316 G HN 0.366 nan 8.290 nan 0.000 0.486 317 F N 1.407 121.363 119.950 0.011 0.000 2.113 317 F HA -0.049 4.477 4.527 -0.001 0.000 0.297 317 F C 2.620 178.433 175.800 0.023 0.000 1.103 317 F CA 1.330 59.327 58.000 -0.005 0.000 1.248 317 F CB -0.159 38.831 39.000 -0.015 0.000 0.999 317 F HN 0.122 nan 8.300 nan 0.000 0.475 318 N N 0.891 119.737 118.700 0.244 0.000 2.182 318 N HA -0.233 4.506 4.740 -0.002 0.000 0.192 318 N C 1.420 177.023 175.510 0.155 0.000 1.007 318 N CA 1.769 54.916 53.050 0.161 0.000 0.873 318 N CB -0.432 38.133 38.487 0.130 0.000 0.998 318 N HN 0.297 nan 8.380 nan 0.000 0.436 319 L N -2.360 118.974 121.223 0.184 0.000 2.567 319 L HA 0.365 4.704 4.340 -0.002 0.000 0.225 319 L C 1.327 178.333 176.870 0.227 0.000 1.119 319 L CA 0.704 55.687 54.840 0.238 0.000 0.871 319 L CB -0.333 41.886 42.059 0.268 0.000 1.036 319 L HN 0.052 nan 8.230 nan 0.000 0.459 320 I N 0.572 121.246 120.570 0.173 0.000 2.226 320 I HA -0.112 4.057 4.170 -0.002 0.000 0.245 320 I C -0.221 175.952 176.117 0.093 0.000 1.100 320 I CA 1.088 62.468 61.300 0.133 0.000 1.374 320 I CB -1.590 36.471 38.000 0.103 0.000 1.057 320 I HN 0.270 nan 8.210 nan 0.000 0.413 321 P HA -0.140 nan 4.420 nan 0.000 0.214 321 P C 1.906 179.213 177.300 0.012 0.000 1.162 321 P CA 1.552 64.665 63.100 0.023 0.000 0.879 321 P CB -0.016 31.689 31.700 0.008 0.000 0.786 322 I N -0.850 119.721 120.570 0.001 0.000 2.335 322 I HA -0.264 3.905 4.170 -0.002 0.000 0.251 322 I C 2.246 178.294 176.117 -0.114 0.000 1.129 322 I CA 1.604 62.820 61.300 -0.140 0.000 1.402 322 I CB -0.767 37.074 38.000 -0.266 0.000 1.069 322 I HN -0.072 nan 8.210 nan 0.000 0.424 323 A N 0.510 123.429 122.820 0.165 0.000 1.930 323 A HA -0.108 4.211 4.320 -0.002 0.000 0.215 323 A C 2.373 180.046 177.584 0.150 0.000 1.176 323 A CA 1.821 54.037 52.037 0.298 0.000 0.632 323 A CB -0.888 18.318 19.000 0.343 0.000 0.819 323 A HN 0.390 nan 8.150 nan 0.000 0.445 324 T N 0.432 115.045 114.554 0.098 0.000 2.867 324 T HA 0.045 4.394 4.350 -0.002 0.000 0.268 324 T C 2.062 176.792 174.700 0.051 0.000 1.057 324 T CA 1.251 63.395 62.100 0.073 0.000 1.136 324 T CB -0.346 68.550 68.868 0.048 0.000 0.874 324 T HN 0.522 nan 8.240 nan 0.000 0.466 325 A N 0.861 123.692 122.820 0.019 0.000 2.067 325 A HA 0.427 4.746 4.320 -0.002 0.000 0.219 325 A C 2.130 179.715 177.584 0.001 0.000 1.158 325 A CA 1.149 53.184 52.037 -0.003 0.000 0.661 325 A CB -0.976 18.000 19.000 -0.040 0.000 0.801 325 A HN 0.931 nan 8.150 nan 0.000 0.452 326 G N -0.690 108.118 108.800 0.013 0.000 2.132 326 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.228 326 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.228 326 G C 0.169 175.059 174.900 -0.018 0.000 1.000 326 G CA 0.309 45.427 45.100 0.031 0.000 0.693 326 G HN 0.657 nan 8.290 nan 0.000 0.515 327 N N -0.338 118.283 118.700 -0.131 0.000 2.413 327 N HA 0.332 5.071 4.740 -0.002 0.000 0.207 327 N C -0.661 174.655 175.510 -0.324 0.000 1.206 327 N CA 0.131 53.036 53.050 -0.241 0.000 0.832 327 N CB 0.070 38.348 38.487 -0.348 0.000 1.037 327 N HN 0.287 nan 8.380 nan 0.000 0.467 328 F N 0.548 120.512 119.950 0.023 0.000 2.547 328 F HA 0.245 4.771 4.527 -0.002 0.000 0.316 328 F C 0.591 176.401 175.800 0.017 0.000 1.121 328 F CA -1.765 56.251 58.000 0.027 0.000 0.911 328 F CB 1.244 40.270 39.000 0.043 0.000 1.179 328 F HN -0.133 nan 8.300 nan 0.000 0.443 329 S N 2.221 118.061 115.700 0.233 0.000 2.576 329 S HA 0.080 4.549 4.470 -0.002 0.000 0.272 329 S C 1.168 175.821 174.600 0.089 0.000 1.352 329 S CA -0.649 57.619 58.200 0.114 0.000 1.021 329 S CB 0.607 63.852 63.200 0.075 0.000 0.887 329 S HN 0.791 nan 8.310 nan 0.000 0.542 330 M N 2.375 121.998 119.600 0.040 0.000 2.446 330 M HA 0.095 4.573 4.480 -0.002 0.000 0.263 330 M C 1.509 177.815 176.300 0.010 0.000 1.066 330 M CA 1.711 57.016 55.300 0.009 0.000 1.087 330 M CB -1.172 31.415 32.600 -0.021 0.000 1.406 330 M HN 0.892 nan 8.290 nan 0.000 0.459 331 G N -0.438 108.376 108.800 0.024 0.000 2.471 331 G HA2 -0.118 3.841 3.960 -0.002 0.000 0.211 331 G HA3 -0.118 3.841 3.960 -0.002 0.000 0.211 331 G C 1.301 176.235 174.900 0.057 0.000 1.194 331 G CA 0.583 45.701 45.100 0.029 0.000 0.816 331 G HN 0.463 nan 8.290 nan 0.000 0.545 332 M N 0.719 120.348 119.600 0.048 0.000 2.331 332 M HA 0.029 4.508 4.480 -0.002 0.000 0.260 332 M C 2.079 178.383 176.300 0.006 0.000 1.072 332 M CA 1.055 56.381 55.300 0.043 0.000 1.065 332 M CB -0.442 32.196 32.600 0.065 0.000 1.392 332 M HN 0.195 nan 8.290 nan 0.000 0.427 333 L N -2.069 119.153 121.223 -0.002 0.000 1.993 333 L HA -0.149 4.190 4.340 -0.002 0.000 0.206 333 L C 2.230 179.113 176.870 0.022 0.000 1.074 333 L CA 1.001 55.816 54.840 -0.041 0.000 0.746 333 L CB -1.049 40.995 42.059 -0.024 0.000 0.896 333 L HN 0.056 nan 8.230 nan 0.000 0.435 334 V N 0.251 120.186 119.914 0.034 0.000 2.370 334 V HA -0.367 3.751 4.120 -0.002 0.000 0.252 334 V C 2.211 178.400 176.094 0.157 0.000 1.068 334 V CA 2.303 64.648 62.300 0.073 0.000 1.061 334 V CB -0.772 31.081 31.823 0.049 0.000 0.656 334 V HN 0.392 nan 8.190 nan 0.000 0.455 335 F N 0.775 120.731 119.950 0.009 0.000 2.010 335 F HA -0.218 4.308 4.527 -0.002 0.000 0.296 335 F C 2.270 178.078 175.800 0.013 0.000 1.146 335 F CA 2.202 60.206 58.000 0.007 0.000 1.181 335 F CB -0.384 38.603 39.000 -0.021 0.000 0.965 335 F HN 0.032 nan 8.300 nan 0.000 0.480 336 I N -0.226 120.245 120.570 -0.164 0.000 2.143 336 I HA -0.366 3.803 4.170 -0.002 0.000 0.245 336 I C 2.392 178.406 176.117 -0.172 0.000 1.068 336 I CA 1.831 62.949 61.300 -0.302 0.000 1.326 336 I CB -0.852 37.053 38.000 -0.158 0.000 1.028 336 I HN 0.314 nan 8.210 nan 0.000 0.412 337 F N 1.649 121.482 119.950 -0.195 0.000 2.011 337 F HA -0.270 4.255 4.527 -0.002 0.000 0.296 337 F C 2.469 178.191 175.800 -0.129 0.000 1.144 337 F CA 2.106 60.019 58.000 -0.145 0.000 1.185 337 F CB -0.822 38.100 39.000 -0.129 0.000 0.961 337 F HN -0.232 nan 8.300 nan 0.000 0.485 338 V N 0.724 120.586 119.914 -0.087 0.000 2.282 338 V HA -0.367 3.752 4.120 -0.002 0.000 0.249 338 V C 2.747 178.694 176.094 -0.245 0.000 1.057 338 V CA 2.104 64.292 62.300 -0.186 0.000 1.032 338 V CB -1.750 30.049 31.823 -0.040 0.000 0.645 338 V HN 0.569 nan 8.190 nan 0.000 0.447 339 A N -0.374 122.232 122.820 -0.357 0.000 1.948 339 A HA -0.264 4.055 4.320 -0.002 0.000 0.220 339 A C 2.391 179.832 177.584 -0.238 0.000 1.177 339 A CA 2.084 53.897 52.037 -0.374 0.000 0.636 339 A CB -0.499 18.068 19.000 -0.722 0.000 0.815 339 A HN 0.538 nan 8.150 nan 0.000 0.449 340 R N -0.950 119.406 120.500 -0.240 0.000 2.073 340 R HA -0.027 4.312 4.340 -0.002 0.000 0.229 340 R C 2.033 178.272 176.300 -0.102 0.000 1.120 340 R CA 1.248 57.259 56.100 -0.147 0.000 0.967 340 R CB -0.602 29.620 30.300 -0.130 0.000 0.862 340 R HN 0.381 nan 8.270 nan 0.000 0.436 341 V N 1.722 121.522 119.914 -0.190 0.000 2.453 341 V HA -0.280 3.839 4.120 -0.002 0.000 0.252 341 V C 2.203 178.342 176.094 0.074 0.000 1.068 341 V CA 1.718 64.006 62.300 -0.021 0.000 1.070 341 V CB -0.441 31.333 31.823 -0.081 0.000 0.664 341 V HN 0.264 nan 8.190 nan 0.000 0.461 342 I N 0.561 121.111 120.570 -0.033 0.000 2.130 342 I HA -0.197 3.972 4.170 -0.002 0.000 0.232 342 I C 2.770 178.898 176.117 0.018 0.000 1.064 342 I CA 1.915 63.199 61.300 -0.027 0.000 1.338 342 I CB -0.991 36.969 38.000 -0.068 0.000 1.084 342 I HN 0.429 nan 8.210 nan 0.000 0.404 343 T N -1.778 112.777 114.554 0.003 0.000 2.848 343 T HA -0.197 4.152 4.350 -0.002 0.000 0.269 343 T C 1.584 176.332 174.700 0.081 0.000 1.081 343 T CA 1.976 64.097 62.100 0.035 0.000 1.125 343 T CB -0.962 67.915 68.868 0.015 0.000 0.848 343 T HN 0.322 nan 8.240 nan 0.000 0.503 344 T N 1.884 116.500 114.554 0.104 0.000 2.852 344 T HA 0.258 4.606 4.350 -0.002 0.000 0.256 344 T C 1.943 176.770 174.700 0.211 0.000 1.038 344 T CA 0.728 62.927 62.100 0.165 0.000 1.141 344 T CB -0.311 68.686 68.868 0.216 0.000 0.869 344 T HN 0.286 nan 8.240 nan 0.000 0.439 345 L N 0.538 121.873 121.223 0.188 0.000 1.976 345 L HA -0.056 4.283 4.340 -0.002 0.000 0.209 345 L C 2.467 179.432 176.870 0.158 0.000 1.071 345 L CA 0.927 55.859 54.840 0.153 0.000 0.746 345 L CB -0.745 41.361 42.059 0.078 0.000 0.890 345 L HN 0.183 nan 8.230 nan 0.000 0.432 346 L N -0.631 120.659 121.223 0.113 0.000 2.211 346 L HA -0.308 4.031 4.340 -0.002 0.000 0.216 346 L C 2.381 179.350 176.870 0.164 0.000 1.092 346 L CA 1.638 56.542 54.840 0.106 0.000 0.767 346 L CB -0.639 41.464 42.059 0.074 0.000 0.894 346 L HN 0.386 nan 8.230 nan 0.000 0.437 347 C N -3.166 116.255 119.300 0.202 0.000 2.525 347 C HA 0.060 4.519 4.460 -0.002 0.000 0.291 347 C C 2.423 177.601 174.990 0.313 0.000 1.351 347 C CA -0.362 58.805 59.018 0.249 0.000 1.771 347 C CB -0.507 27.363 27.740 0.217 0.000 2.177 347 C HN 0.555 nan 8.230 nan 0.000 0.510 348 F N 1.496 121.526 119.950 0.134 0.000 2.262 348 F HA 0.045 4.571 4.527 -0.002 0.000 0.292 348 F C 2.412 178.295 175.800 0.137 0.000 1.081 348 F CA 1.488 59.565 58.000 0.128 0.000 1.355 348 F CB -0.387 38.683 39.000 0.116 0.000 1.069 348 F HN -0.000 nan 8.300 nan 0.000 0.506 349 S N -0.380 115.423 115.700 0.171 0.000 2.453 349 S HA -0.134 4.335 4.470 -0.002 0.000 0.231 349 S C 2.080 176.748 174.600 0.113 0.000 1.005 349 S CA 1.057 59.299 58.200 0.070 0.000 0.949 349 S CB -0.630 62.622 63.200 0.087 0.000 0.774 349 S HN 0.535 nan 8.310 nan 0.000 0.510 350 S N 0.927 116.745 115.700 0.196 0.000 2.515 350 S HA 0.197 4.666 4.470 -0.002 0.000 0.231 350 S C 1.523 176.448 174.600 0.542 0.000 0.987 350 S CA 0.709 59.110 58.200 0.335 0.000 0.936 350 S CB -0.521 62.921 63.200 0.403 0.000 0.766 350 S HN 0.767 nan 8.310 nan 0.000 0.528 351 G N 0.679 109.641 108.800 0.270 0.000 2.149 351 G HA2 -0.035 3.924 3.960 -0.002 0.000 0.235 351 G HA3 -0.035 3.924 3.960 -0.002 0.000 0.235 351 G C 0.187 175.058 174.900 -0.048 0.000 1.018 351 G CA 0.002 45.202 45.100 0.166 0.000 0.728 351 G HN 1.223 nan 8.290 nan 0.000 0.508 352 A N 0.421 123.146 122.820 -0.158 0.000 2.304 352 A HA 0.781 5.100 4.320 -0.002 0.000 0.271 352 A C -1.496 175.944 177.584 -0.240 0.000 1.091 352 A CA -1.001 50.714 52.037 -0.537 0.000 0.812 352 A CB 0.578 19.278 19.000 -0.501 0.000 1.056 352 A HN 0.276 nan 8.150 nan 0.000 0.489 353 P HA 0.407 nan 4.420 nan 0.000 0.276 353 P C -0.056 177.252 177.300 0.014 0.000 1.264 353 P CA 0.562 63.604 63.100 -0.096 0.000 0.769 353 P CB 0.632 32.270 31.700 -0.104 0.000 0.840 354 G N 2.030 110.889 108.800 0.099 0.000 2.341 354 G HA2 0.412 4.370 3.960 -0.002 0.000 0.300 354 G HA3 0.412 4.370 3.960 -0.002 0.000 0.300 354 G C -0.495 174.589 174.900 0.308 0.000 1.706 354 G CA -0.495 44.711 45.100 0.176 0.000 0.916 354 G HN 0.517 nan 8.290 nan 0.000 0.716 355 G N -0.002 108.931 108.800 0.222 0.000 2.442 355 G HA2 0.470 4.429 3.960 -0.002 0.000 0.249 355 G HA3 0.470 4.429 3.960 -0.002 0.000 0.249 355 G C 0.702 175.674 174.900 0.120 0.000 1.263 355 G CA -0.437 44.802 45.100 0.231 0.000 0.846 355 G HN 1.064 nan 8.290 nan 0.000 0.555 356 I N 2.643 123.118 120.570 -0.158 0.000 3.874 356 I HA 0.241 4.410 4.170 -0.002 0.000 0.331 356 I C 0.820 176.910 176.117 -0.044 0.000 1.489 356 I CA -0.534 60.539 61.300 -0.380 0.000 1.187 356 I CB -0.253 36.974 38.000 -1.287 0.000 1.150 356 I HN 0.546 nan 8.210 nan 0.000 0.412 357 F N 1.635 121.559 119.950 -0.044 0.000 2.092 357 F HA 0.058 4.583 4.527 -0.002 0.000 0.286 357 F C 2.466 178.297 175.800 0.050 0.000 1.116 357 F CA 1.813 59.836 58.000 0.038 0.000 1.185 357 F CB -0.633 38.450 39.000 0.139 0.000 1.034 357 F HN 0.150 nan 8.300 nan 0.000 0.479 358 A N 0.709 123.637 122.820 0.179 0.000 1.917 358 A HA -0.160 4.159 4.320 -0.002 0.000 0.219 358 A C -0.309 177.165 177.584 -0.183 0.000 1.182 358 A CA 2.159 54.141 52.037 -0.092 0.000 0.633 358 A CB -2.256 16.617 19.000 -0.212 0.000 0.819 358 A HN 0.352 nan 8.150 nan 0.000 0.448 359 P HA -0.121 nan 4.420 nan 0.000 0.221 359 P C 1.492 178.744 177.300 -0.081 0.000 1.145 359 P CA 1.156 64.204 63.100 -0.087 0.000 0.795 359 P CB -0.107 31.576 31.700 -0.028 0.000 0.775 360 M N -2.207 117.329 119.600 -0.106 0.000 2.349 360 M HA -0.037 4.442 4.480 -0.002 0.000 0.266 360 M C 1.862 178.086 176.300 -0.126 0.000 1.076 360 M CA 1.233 56.456 55.300 -0.129 0.000 1.126 360 M CB -0.468 32.047 32.600 -0.142 0.000 1.392 360 M HN -0.018 nan 8.290 nan 0.000 0.440 361 L N -0.297 120.828 121.223 -0.163 0.000 2.044 361 L HA -0.100 4.239 4.340 -0.002 0.000 0.205 361 L C 2.701 179.549 176.870 -0.035 0.000 1.075 361 L CA 1.092 55.851 54.840 -0.134 0.000 0.747 361 L CB -0.642 41.329 42.059 -0.147 0.000 0.903 361 L HN 0.255 nan 8.230 nan 0.000 0.435 362 A N -0.559 122.248 122.820 -0.022 0.000 2.067 362 A HA -0.125 4.194 4.320 -0.002 0.000 0.219 362 A C 2.201 179.814 177.584 0.049 0.000 1.158 362 A CA 1.188 53.243 52.037 0.030 0.000 0.661 362 A CB -0.402 18.597 19.000 -0.002 0.000 0.801 362 A HN 0.376 nan 8.150 nan 0.000 0.452 363 L N -1.404 119.841 121.223 0.037 0.000 2.102 363 L HA 0.037 4.376 4.340 -0.002 0.000 0.202 363 L C 2.793 179.789 176.870 0.210 0.000 1.076 363 L CA 0.871 55.779 54.840 0.113 0.000 0.761 363 L CB -0.554 41.521 42.059 0.026 0.000 0.921 363 L HN 0.450 nan 8.230 nan 0.000 0.444 364 G N -0.845 108.062 108.800 0.180 0.000 2.440 364 G HA2 -0.262 3.696 3.960 -0.002 0.000 0.218 364 G HA3 -0.262 3.696 3.960 -0.002 0.000 0.218 364 G C 1.510 176.547 174.900 0.228 0.000 1.154 364 G CA 1.375 46.649 45.100 0.290 0.000 0.767 364 G HN 0.272 nan 8.290 nan 0.000 0.552 365 T N 0.942 115.560 114.554 0.106 0.000 2.665 365 T HA -0.174 4.175 4.350 -0.002 0.000 0.268 365 T C 2.554 177.323 174.700 0.116 0.000 1.035 365 T CA 1.590 63.748 62.100 0.096 0.000 1.151 365 T CB -0.385 68.533 68.868 0.082 0.000 0.862 365 T HN 0.089 nan 8.240 nan 0.000 0.438 366 V N 1.375 121.355 119.914 0.111 0.000 2.261 366 V HA -0.088 4.031 4.120 -0.002 0.000 0.246 366 V C 2.368 178.445 176.094 -0.029 0.000 1.047 366 V CA 1.349 63.689 62.300 0.067 0.000 1.015 366 V CB -0.739 31.138 31.823 0.090 0.000 0.642 366 V HN 0.333 nan 8.190 nan 0.000 0.446 367 L N 1.213 122.383 121.223 -0.090 0.000 2.353 367 L HA 0.042 4.381 4.340 -0.002 0.000 0.220 367 L C 2.064 178.898 176.870 -0.059 0.000 1.133 367 L CA 1.948 56.589 54.840 -0.332 0.000 0.798 367 L CB -0.997 40.669 42.059 -0.654 0.000 0.922 367 L HN 0.248 nan 8.230 nan 0.000 0.445 368 G N -1.833 107.047 108.800 0.134 0.000 2.404 368 G HA2 -0.175 3.784 3.960 -0.002 0.000 0.213 368 G HA3 -0.175 3.784 3.960 -0.002 0.000 0.213 368 G C 1.370 176.374 174.900 0.174 0.000 1.189 368 G CA 0.848 46.070 45.100 0.204 0.000 0.796 368 G HN 0.367 nan 8.290 nan 0.000 0.532 369 T N 2.142 116.773 114.554 0.130 0.000 2.597 369 T HA -0.194 4.155 4.350 -0.002 0.000 0.267 369 T C 2.781 177.515 174.700 0.057 0.000 1.053 369 T CA 2.194 64.364 62.100 0.116 0.000 1.165 369 T CB -0.706 68.233 68.868 0.118 0.000 0.863 369 T HN 0.402 nan 8.240 nan 0.000 0.427 370 A N 1.187 124.006 122.820 -0.001 0.000 1.881 370 A HA -0.192 4.126 4.320 -0.002 0.000 0.219 370 A C 2.057 179.588 177.584 -0.088 0.000 1.215 370 A CA 2.253 54.248 52.037 -0.069 0.000 0.648 370 A CB -1.313 17.594 19.000 -0.155 0.000 0.832 370 A HN 0.502 nan 8.150 nan 0.000 0.455 371 F N 0.911 120.737 119.950 -0.206 0.000 2.126 371 F HA -0.084 4.442 4.527 -0.002 0.000 0.299 371 F C 2.347 177.901 175.800 -0.410 0.000 1.096 371 F CA 1.605 59.436 58.000 -0.283 0.000 1.255 371 F CB -0.748 38.099 39.000 -0.255 0.000 0.997 371 F HN 0.247 nan 8.300 nan 0.000 0.479 372 G N 0.737 109.461 108.800 -0.127 0.000 2.628 372 G HA2 -0.352 3.607 3.960 -0.002 0.000 0.217 372 G HA3 -0.352 3.607 3.960 -0.002 0.000 0.217 372 G C 1.666 176.397 174.900 -0.282 0.000 1.240 372 G CA 1.430 46.368 45.100 -0.270 0.000 0.792 372 G HN 0.387 nan 8.290 nan 0.000 0.593 373 M N -0.172 119.346 119.600 -0.137 0.000 2.113 373 M HA -0.191 4.288 4.480 -0.002 0.000 0.255 373 M C 2.700 178.880 176.300 -0.200 0.000 1.073 373 M CA 1.639 56.865 55.300 -0.122 0.000 1.091 373 M CB -0.866 31.688 32.600 -0.077 0.000 1.309 373 M HN 0.139 nan 8.290 nan 0.000 0.407 374 V N 0.300 120.042 119.914 -0.287 0.000 2.392 374 V HA -0.274 3.844 4.120 -0.002 0.000 0.249 374 V C 2.650 178.535 176.094 -0.349 0.000 1.059 374 V CA 2.011 64.116 62.300 -0.324 0.000 1.051 374 V CB -1.328 30.255 31.823 -0.400 0.000 0.658 374 V HN 0.557 nan 8.190 nan 0.000 0.455 375 A N -0.183 122.348 122.820 -0.481 0.000 1.855 375 A HA -0.135 4.184 4.320 -0.002 0.000 0.215 375 A C 2.399 179.965 177.584 -0.031 0.000 1.191 375 A CA 1.820 53.673 52.037 -0.307 0.000 0.613 375 A CB -0.773 17.750 19.000 -0.795 0.000 0.829 375 A HN 0.289 nan 8.150 nan 0.000 0.442 376 V N 1.415 121.265 119.914 -0.107 0.000 2.252 376 V HA -0.419 3.700 4.120 -0.002 0.000 0.255 376 V C 2.674 178.751 176.094 -0.028 0.000 1.071 376 V CA 2.854 65.152 62.300 -0.003 0.000 1.050 376 V CB -1.125 30.690 31.823 -0.012 0.000 0.654 376 V HN 0.926 nan 8.190 nan 0.000 0.448 377 E N 0.233 120.372 120.200 -0.102 0.000 2.051 377 E HA -0.130 4.219 4.350 -0.002 0.000 0.189 377 E C 2.158 178.611 176.600 -0.246 0.000 0.979 377 E CA 1.164 57.478 56.400 -0.144 0.000 0.803 377 E CB -0.525 29.089 29.700 -0.144 0.000 0.761 377 E HN 0.537 nan 8.360 nan 0.000 0.451 378 L N -0.101 120.893 121.223 -0.381 0.000 2.261 378 L HA -0.065 4.274 4.340 -0.002 0.000 0.216 378 L C 0.378 176.603 176.870 -1.075 0.000 1.114 378 L CA 0.850 55.228 54.840 -0.770 0.000 0.777 378 L CB -0.437 40.972 42.059 -1.083 0.000 0.910 378 L HN 0.109 nan 8.230 nan 0.000 0.440 379 F N -0.663 119.150 119.950 -0.229 0.000 2.691 379 F HA 0.321 4.847 4.527 -0.002 0.000 0.371 379 F C -1.694 173.964 175.800 -0.237 0.000 1.159 379 F CA -1.888 55.908 58.000 -0.340 0.000 1.174 379 F CB 0.513 39.154 39.000 -0.598 0.000 1.419 379 F HN -0.236 nan 8.300 nan 0.000 0.514 380 P HA -0.148 nan 4.420 nan 0.000 0.227 380 P C 1.026 178.200 177.300 -0.210 0.000 1.161 380 P CA 1.004 64.029 63.100 -0.124 0.000 0.788 380 P CB 0.355 31.978 31.700 -0.130 0.000 0.822 381 Q N -0.893 118.837 119.800 -0.117 0.000 2.444 381 Q HA -0.076 4.263 4.340 -0.002 0.000 0.206 381 Q C 1.248 177.440 176.000 0.320 0.000 0.948 381 Q CA 0.738 56.529 55.803 -0.020 0.000 0.946 381 Q CB -0.861 27.930 28.738 0.089 0.000 1.027 381 Q HN 0.425 nan 8.270 nan 0.000 0.513 382 Y N 0.137 120.519 120.300 0.138 0.000 2.509 382 Y HA 0.020 4.569 4.550 -0.002 0.000 0.270 382 Y C -0.154 175.957 175.900 0.352 0.000 1.103 382 Y CA -0.149 58.110 58.100 0.264 0.000 1.278 382 Y CB 0.275 38.867 38.460 0.219 0.000 1.087 382 Y HN 0.328 nan 8.280 nan 0.000 0.542 383 H N -0.208 119.032 119.070 0.283 0.000 2.819 383 H HA -0.138 4.417 4.556 -0.001 0.000 0.323 383 H C -0.552 174.890 175.328 0.190 0.000 1.243 383 H CA 0.059 56.217 56.048 0.183 0.000 1.163 383 H CB -2.256 27.587 29.762 0.135 0.000 1.493 383 H HN 0.214 nan 8.280 nan 0.000 0.434 384 L N -0.011 121.397 121.223 0.308 0.000 2.475 384 L HA 0.377 4.716 4.340 -0.002 0.000 0.253 384 L C 0.960 177.979 176.870 0.249 0.000 1.198 384 L CA -0.072 54.963 54.840 0.325 0.000 0.814 384 L CB 0.769 43.091 42.059 0.438 0.000 1.134 384 L HN 0.442 nan 8.230 nan 0.000 0.478 385 E N -0.336 120.024 120.200 0.267 0.000 2.265 385 E HA 0.353 4.702 4.350 -0.002 0.000 0.262 385 E C 0.199 176.959 176.600 0.266 0.000 0.889 385 E CA -0.304 56.213 56.400 0.196 0.000 0.789 385 E CB 1.834 31.613 29.700 0.131 0.000 1.221 385 E HN 0.669 nan 8.360 nan 0.000 0.414 386 A N 4.032 126.984 122.820 0.221 0.000 1.909 386 A HA -0.278 4.041 4.320 -0.002 0.000 0.221 386 A C 1.975 179.721 177.584 0.270 0.000 1.223 386 A CA 2.459 54.644 52.037 0.247 0.000 0.658 386 A CB -1.430 17.649 19.000 0.131 0.000 0.831 386 A HN 0.869 nan 8.150 nan 0.000 0.462 387 G N -0.740 108.160 108.800 0.166 0.000 2.596 387 G HA2 -0.385 3.574 3.960 -0.002 0.000 0.223 387 G HA3 -0.385 3.574 3.960 -0.002 0.000 0.223 387 G C 1.713 176.676 174.900 0.104 0.000 1.120 387 G CA 2.547 47.718 45.100 0.118 0.000 0.752 387 G HN 0.943 nan 8.290 nan 0.000 0.596 388 T N -1.954 112.653 114.554 0.088 0.000 2.915 388 T HA 0.032 4.381 4.350 -0.002 0.000 0.269 388 T C 2.029 176.714 174.700 -0.024 0.000 1.071 388 T CA 1.055 63.140 62.100 -0.026 0.000 1.132 388 T CB -0.342 68.450 68.868 -0.127 0.000 0.878 388 T HN 0.220 nan 8.240 nan 0.000 0.479 389 F N 1.535 121.577 119.950 0.152 0.000 2.569 389 F HA 0.503 5.029 4.527 -0.001 0.000 0.295 389 F C 2.761 178.610 175.800 0.083 0.000 1.115 389 F CA 0.087 58.146 58.000 0.099 0.000 1.450 389 F CB -0.547 38.468 39.000 0.024 0.000 1.107 389 F HN 0.226 nan 8.300 nan 0.000 0.563 390 A N 0.699 123.659 122.820 0.233 0.000 1.858 390 A HA -0.135 4.184 4.320 -0.002 0.000 0.216 390 A C 2.158 179.787 177.584 0.076 0.000 1.190 390 A CA 1.529 53.655 52.037 0.148 0.000 0.617 390 A CB -1.000 18.075 19.000 0.123 0.000 0.827 390 A HN 0.358 nan 8.150 nan 0.000 0.443 391 I N -0.318 120.278 120.570 0.043 0.000 2.830 391 I HA -0.172 3.997 4.170 -0.002 0.000 0.263 391 I C 2.654 178.746 176.117 -0.042 0.000 1.230 391 I CA 0.719 62.009 61.300 -0.016 0.000 1.480 391 I CB -0.167 37.812 38.000 -0.035 0.000 1.095 391 I HN 0.377 nan 8.210 nan 0.000 0.455 392 A N 0.452 123.276 122.820 0.007 0.000 2.016 392 A HA 0.068 4.387 4.320 -0.002 0.000 0.217 392 A C 2.212 179.748 177.584 -0.080 0.000 1.162 392 A CA 1.401 53.437 52.037 -0.002 0.000 0.662 392 A CB -0.636 18.494 19.000 0.216 0.000 0.812 392 A HN 0.423 nan 8.150 nan 0.000 0.450 393 G N -1.226 107.528 108.800 -0.077 0.000 3.126 393 G HA2 0.188 4.147 3.960 -0.002 0.000 0.224 393 G HA3 0.188 4.147 3.960 -0.002 0.000 0.224 393 G C 1.246 175.947 174.900 -0.331 0.000 1.142 393 G CA 0.557 45.478 45.100 -0.298 0.000 0.759 393 G HN 0.445 nan 8.290 nan 0.000 0.550 394 M N 0.881 120.383 119.600 -0.163 0.000 2.213 394 M HA 0.091 4.570 4.480 -0.002 0.000 0.263 394 M C 1.878 178.052 176.300 -0.209 0.000 1.062 394 M CA 1.890 57.110 55.300 -0.133 0.000 1.105 394 M CB 0.106 32.653 32.600 -0.089 0.000 1.385 394 M HN 0.094 nan 8.290 nan 0.000 0.417 395 G N -1.253 107.396 108.800 -0.252 0.000 3.453 395 G HA2 0.441 4.400 3.960 -0.002 0.000 0.263 395 G HA3 0.441 4.400 3.960 -0.002 0.000 0.263 395 G C 1.038 175.745 174.900 -0.321 0.000 1.060 395 G CA 0.331 45.278 45.100 -0.255 0.000 0.793 395 G HN 0.538 nan 8.290 nan 0.000 0.532 396 A N 0.118 122.614 122.820 -0.540 0.000 2.119 396 A HA 0.263 4.582 4.320 -0.002 0.000 0.217 396 A C 2.085 179.368 177.584 -0.501 0.000 1.153 396 A CA 0.499 52.096 52.037 -0.733 0.000 0.692 396 A CB -0.113 17.925 19.000 -1.602 0.000 0.799 396 A HN 0.381 nan 8.150 nan 0.000 0.458 397 L N -0.662 120.357 121.223 -0.340 0.000 2.127 397 L HA 0.001 4.340 4.340 -0.002 0.000 0.203 397 L C 2.163 178.985 176.870 -0.080 0.000 1.080 397 L CA 0.811 55.615 54.840 -0.061 0.000 0.768 397 L CB -0.383 41.670 42.059 -0.010 0.000 0.924 397 L HN 0.388 nan 8.230 nan 0.000 0.444 398 L N -0.352 120.783 121.223 -0.146 0.000 2.447 398 L HA -0.197 4.142 4.340 -0.002 0.000 0.225 398 L C 2.527 179.377 176.870 -0.033 0.000 1.148 398 L CA 0.877 55.660 54.840 -0.095 0.000 0.808 398 L CB -0.722 41.241 42.059 -0.160 0.000 0.928 398 L HN 0.257 nan 8.230 nan 0.000 0.448 399 A N -0.355 122.423 122.820 -0.069 0.000 1.956 399 A HA 0.224 4.543 4.320 -0.002 0.000 0.212 399 A C 2.427 180.003 177.584 -0.014 0.000 1.188 399 A CA 0.985 52.997 52.037 -0.043 0.000 0.675 399 A CB -0.249 18.701 19.000 -0.084 0.000 0.845 399 A HN 0.309 nan 8.150 nan 0.000 0.455 400 A N -1.143 121.680 122.820 0.004 0.000 2.044 400 A HA 0.253 4.572 4.320 -0.002 0.000 0.213 400 A C 2.206 179.805 177.584 0.025 0.000 1.169 400 A CA 1.448 53.505 52.037 0.033 0.000 0.724 400 A CB -0.335 18.723 19.000 0.097 0.000 0.840 400 A HN 0.377 nan 8.150 nan 0.000 0.463 401 S N -0.482 115.235 115.700 0.028 0.000 2.294 401 S HA 0.044 4.513 4.470 -0.002 0.000 0.182 401 S C 1.776 176.370 174.600 -0.009 0.000 1.053 401 S CA 0.643 58.856 58.200 0.022 0.000 1.161 401 S CB -0.529 62.705 63.200 0.057 0.000 0.890 401 S HN 0.568 nan 8.310 nan 0.000 0.448 402 I N 1.394 121.941 120.570 -0.040 0.000 2.953 402 I HA -0.133 4.036 4.170 -0.002 0.000 0.271 402 I C 0.109 176.268 176.117 0.071 0.000 1.286 402 I CA 1.099 62.388 61.300 -0.018 0.000 1.449 402 I CB -0.183 37.812 38.000 -0.008 0.000 1.086 402 I HN 0.263 nan 8.210 nan 0.000 0.483 403 R N 0.241 120.767 120.500 0.044 0.000 3.741 403 R HA -0.182 4.157 4.340 -0.002 0.000 0.292 403 R C -0.012 176.321 176.300 0.055 0.000 1.176 403 R CA 0.823 56.945 56.100 0.037 0.000 0.794 403 R CB -2.552 27.762 30.300 0.023 0.000 1.213 403 R HN 0.582 nan 8.270 nan 0.000 0.494 404 A N 0.436 123.314 122.820 0.096 0.000 2.664 404 A HA 0.479 4.798 4.320 -0.002 0.000 0.338 404 A C -1.055 176.587 177.584 0.095 0.000 1.280 404 A CA -1.165 50.944 52.037 0.120 0.000 0.809 404 A CB 1.052 20.191 19.000 0.232 0.000 1.114 404 A HN -0.054 nan 8.150 nan 0.000 0.479 405 P HA -0.143 nan 4.420 nan 0.000 0.213 405 P C 1.638 178.953 177.300 0.025 0.000 1.169 405 P CA 0.548 63.656 63.100 0.013 0.000 0.885 405 P CB 0.163 31.857 31.700 -0.010 0.000 0.779 406 L N 0.235 121.478 121.223 0.033 0.000 2.103 406 L HA -0.169 4.170 4.340 -0.002 0.000 0.215 406 L C 2.167 179.074 176.870 0.061 0.000 1.080 406 L CA 2.360 57.222 54.840 0.038 0.000 0.764 406 L CB -1.744 40.337 42.059 0.037 0.000 0.890 406 L HN -0.021 nan 8.230 nan 0.000 0.435 407 T N -1.215 113.401 114.554 0.103 0.000 2.942 407 T HA 0.012 4.361 4.350 -0.002 0.000 0.265 407 T C 1.661 176.419 174.700 0.097 0.000 1.062 407 T CA 0.871 63.053 62.100 0.137 0.000 1.139 407 T CB -0.595 68.429 68.868 0.259 0.000 0.883 407 T HN 0.572 nan 8.240 nan 0.000 0.468 408 G N 1.778 110.617 108.800 0.066 0.000 2.434 408 G HA2 -0.117 3.841 3.960 -0.002 0.000 0.214 408 G HA3 -0.117 3.841 3.960 -0.002 0.000 0.214 408 G C 1.500 176.383 174.900 -0.028 0.000 1.202 408 G CA 0.462 45.561 45.100 -0.002 0.000 0.788 408 G HN 0.467 nan 8.290 nan 0.000 0.539 409 I N 0.643 121.197 120.570 -0.027 0.000 2.194 409 I HA -0.202 3.967 4.170 -0.002 0.000 0.246 409 I C 2.637 178.749 176.117 -0.009 0.000 1.093 409 I CA 1.071 62.350 61.300 -0.035 0.000 1.355 409 I CB -0.202 37.780 38.000 -0.029 0.000 1.046 409 I HN 0.161 nan 8.210 nan 0.000 0.413 410 I N -0.119 120.461 120.570 0.016 0.000 2.546 410 I HA -0.231 3.938 4.170 -0.002 0.000 0.255 410 I C 2.380 178.512 176.117 0.025 0.000 1.163 410 I CA 0.670 61.986 61.300 0.027 0.000 1.457 410 I CB -0.081 37.941 38.000 0.037 0.000 1.092 410 I HN 0.244 nan 8.210 nan 0.000 0.434 411 L N 0.288 121.528 121.223 0.029 0.000 2.072 411 L HA -0.101 4.238 4.340 -0.002 0.000 0.205 411 L C 2.325 179.184 176.870 -0.017 0.000 1.079 411 L CA 1.723 56.590 54.840 0.045 0.000 0.752 411 L CB -0.366 41.750 42.059 0.096 0.000 0.906 411 L HN -0.066 nan 8.230 nan 0.000 0.436 412 V N -0.183 119.700 119.914 -0.052 0.000 2.216 412 V HA -0.287 3.832 4.120 -0.002 0.000 0.243 412 V C 2.511 178.570 176.094 -0.058 0.000 1.044 412 V CA 1.812 64.062 62.300 -0.085 0.000 0.995 412 V CB -1.021 30.745 31.823 -0.095 0.000 0.633 412 V HN 0.558 nan 8.190 nan 0.000 0.446 413 L N 0.314 121.518 121.223 -0.032 0.000 2.171 413 L HA -0.275 4.064 4.340 -0.002 0.000 0.216 413 L C 2.168 179.042 176.870 0.006 0.000 1.084 413 L CA 2.205 57.046 54.840 0.003 0.000 0.771 413 L CB -0.747 41.340 42.059 0.046 0.000 0.890 413 L HN 0.451 nan 8.230 nan 0.000 0.437 414 E N -1.746 118.451 120.200 -0.005 0.000 2.435 414 E HA -0.055 4.294 4.350 -0.002 0.000 0.195 414 E C 1.879 178.462 176.600 -0.027 0.000 1.029 414 E CA 0.574 56.971 56.400 -0.005 0.000 0.865 414 E CB 0.092 29.796 29.700 0.007 0.000 0.833 414 E HN 0.608 nan 8.360 nan 0.000 0.510 415 M N -1.295 118.268 119.600 -0.061 0.000 2.538 415 M HA 0.008 4.487 4.480 -0.002 0.000 0.259 415 M C 2.088 178.327 176.300 -0.101 0.000 1.217 415 M CA 0.668 55.903 55.300 -0.108 0.000 1.131 415 M CB 0.734 33.214 32.600 -0.200 0.000 1.382 415 M HN 0.036 nan 8.290 nan 0.000 0.520 416 T N -3.915 110.591 114.554 -0.079 0.000 3.037 416 T HA 0.027 4.376 4.350 -0.002 0.000 0.252 416 T C 0.672 175.350 174.700 -0.035 0.000 1.073 416 T CA 0.263 62.325 62.100 -0.064 0.000 1.091 416 T CB 0.014 68.843 68.868 -0.066 0.000 0.935 416 T HN 0.275 nan 8.240 nan 0.000 0.488 417 D N 1.853 122.242 120.400 -0.018 0.000 2.689 417 D HA -0.152 4.486 4.640 -0.002 0.000 0.237 417 D C -0.675 175.634 176.300 0.015 0.000 1.148 417 D CA 0.341 54.346 54.000 0.007 0.000 0.656 417 D CB -1.822 38.979 40.800 0.001 0.000 1.050 417 D HN 0.552 nan 8.370 nan 0.000 0.426 418 N N 0.644 119.348 118.700 0.008 0.000 2.735 418 N HA -0.001 4.737 4.740 -0.002 0.000 0.312 418 N C 0.681 176.174 175.510 -0.027 0.000 1.843 418 N CA -0.419 52.623 53.050 -0.013 0.000 0.945 418 N CB 0.094 38.553 38.487 -0.048 0.000 1.299 418 N HN 0.250 nan 8.380 nan 0.000 0.489 419 Y N 2.174 122.439 120.300 -0.058 0.000 2.348 419 Y HA -0.266 4.283 4.550 -0.002 0.000 0.285 419 Y C 1.866 177.722 175.900 -0.073 0.000 1.173 419 Y CA 1.940 60.003 58.100 -0.061 0.000 1.263 419 Y CB 0.233 38.666 38.460 -0.045 0.000 0.974 419 Y HN 0.345 nan 8.280 nan 0.000 0.547 420 Q N -0.707 118.959 119.800 -0.224 0.000 2.515 420 Q HA 0.030 4.369 4.340 -0.002 0.000 0.212 420 Q C 1.296 177.108 176.000 -0.312 0.000 0.970 420 Q CA 1.260 56.905 55.803 -0.265 0.000 0.941 420 Q CB -0.506 28.157 28.738 -0.125 0.000 0.998 420 Q HN 0.533 nan 8.270 nan 0.000 0.518 421 L N -0.866 120.163 121.223 -0.324 0.000 2.616 421 L HA 0.178 4.517 4.340 -0.002 0.000 0.229 421 L C 1.465 178.108 176.870 -0.378 0.000 1.110 421 L CA -0.259 54.380 54.840 -0.336 0.000 0.884 421 L CB -0.012 41.892 42.059 -0.258 0.000 1.115 421 L HN 0.171 nan 8.230 nan 0.000 0.481 422 I N 0.576 120.884 120.570 -0.437 0.000 2.147 422 I HA -0.377 3.792 4.170 -0.002 0.000 0.245 422 I C 2.274 178.207 176.117 -0.307 0.000 1.059 422 I CA 1.809 62.875 61.300 -0.389 0.000 1.320 422 I CB -0.085 37.554 38.000 -0.601 0.000 1.021 422 I HN 0.154 nan 8.210 nan 0.000 0.415 423 L N 0.495 121.521 121.223 -0.327 0.000 1.994 423 L HA -0.124 4.215 4.340 -0.002 0.000 0.208 423 L C -0.430 176.259 176.870 -0.302 0.000 1.071 423 L CA 2.317 57.001 54.840 -0.259 0.000 0.745 423 L CB -1.717 40.200 42.059 -0.237 0.000 0.892 423 L HN 0.151 nan 8.230 nan 0.000 0.431 424 P HA -0.161 nan 4.420 nan 0.000 0.215 424 P C 2.015 179.085 177.300 -0.384 0.000 1.153 424 P CA 1.554 64.249 63.100 -0.676 0.000 0.853 424 P CB -0.082 30.738 31.700 -1.468 0.000 0.788 425 M N -1.641 117.770 119.600 -0.315 0.000 2.106 425 M HA -0.191 4.288 4.480 -0.002 0.000 0.259 425 M C 2.074 178.289 176.300 -0.141 0.000 1.068 425 M CA 1.973 57.157 55.300 -0.193 0.000 1.100 425 M CB -1.004 31.491 32.600 -0.175 0.000 1.351 425 M HN -0.031 nan 8.290 nan 0.000 0.404 426 I N 0.120 120.608 120.570 -0.135 0.000 2.233 426 I HA -0.256 3.913 4.170 -0.002 0.000 0.243 426 I C 2.273 178.347 176.117 -0.071 0.000 1.093 426 I CA 1.176 62.422 61.300 -0.090 0.000 1.380 426 I CB -0.348 37.605 38.000 -0.078 0.000 1.067 426 I HN 0.228 nan 8.210 nan 0.000 0.413 427 I N 0.454 120.977 120.570 -0.078 0.000 2.335 427 I HA -0.277 3.892 4.170 -0.002 0.000 0.251 427 I C 2.449 178.564 176.117 -0.003 0.000 1.129 427 I CA 1.394 62.675 61.300 -0.031 0.000 1.402 427 I CB -0.679 37.305 38.000 -0.026 0.000 1.069 427 I HN 0.276 nan 8.210 nan 0.000 0.424 428 T N 0.419 114.964 114.554 -0.015 0.000 2.706 428 T HA -0.047 4.302 4.350 -0.002 0.000 0.255 428 T C 2.005 176.673 174.700 -0.053 0.000 1.048 428 T CA 1.420 63.514 62.100 -0.009 0.000 1.153 428 T CB -0.757 68.105 68.868 -0.010 0.000 0.865 428 T HN 0.524 nan 8.240 nan 0.000 0.414 429 G N 1.280 110.027 108.800 -0.090 0.000 2.469 429 G HA2 -0.191 3.768 3.960 -0.002 0.000 0.220 429 G HA3 -0.191 3.768 3.960 -0.002 0.000 0.220 429 G C 1.549 176.415 174.900 -0.056 0.000 1.136 429 G CA 0.826 45.868 45.100 -0.097 0.000 0.759 429 G HN 0.356 nan 8.290 nan 0.000 0.562 430 L N 1.121 122.322 121.223 -0.038 0.000 2.072 430 L HA 0.213 4.552 4.340 -0.002 0.000 0.205 430 L C 2.935 179.798 176.870 -0.012 0.000 1.079 430 L CA 1.965 56.790 54.840 -0.024 0.000 0.752 430 L CB -0.793 41.257 42.059 -0.015 0.000 0.906 430 L HN 0.182 nan 8.230 nan 0.000 0.436 431 G N -1.277 107.526 108.800 0.005 0.000 2.462 431 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.220 431 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.220 431 G C 1.575 176.493 174.900 0.029 0.000 1.121 431 G CA 0.784 45.902 45.100 0.030 0.000 0.758 431 G HN 0.573 nan 8.290 nan 0.000 0.559 432 A N 0.323 123.153 122.820 0.016 0.000 1.872 432 A HA 0.032 4.351 4.320 -0.002 0.000 0.214 432 A C 2.506 180.093 177.584 0.006 0.000 1.187 432 A CA 2.254 54.314 52.037 0.038 0.000 0.614 432 A CB -0.843 18.169 19.000 0.019 0.000 0.826 432 A HN 0.254 nan 8.150 nan 0.000 0.442 433 T N 0.428 114.965 114.554 -0.027 0.000 2.881 433 T HA -0.015 4.334 4.350 -0.002 0.000 0.270 433 T C 1.674 176.301 174.700 -0.121 0.000 1.068 433 T CA 1.159 63.225 62.100 -0.057 0.000 1.131 433 T CB -0.259 68.576 68.868 -0.055 0.000 0.871 433 T HN 0.328 nan 8.240 nan 0.000 0.479 434 L N 0.146 121.297 121.223 -0.121 0.000 2.209 434 L HA 0.105 4.444 4.340 -0.002 0.000 0.207 434 L C 2.001 178.743 176.870 -0.214 0.000 1.094 434 L CA 0.502 55.192 54.840 -0.251 0.000 0.790 434 L CB -0.182 41.813 42.059 -0.106 0.000 0.932 434 L HN 0.232 nan 8.230 nan 0.000 0.447 435 L N -0.547 120.660 121.223 -0.027 0.000 2.509 435 L HA 0.063 4.402 4.340 -0.002 0.000 0.222 435 L C 2.413 179.304 176.870 0.035 0.000 1.123 435 L CA 0.964 55.842 54.840 0.065 0.000 0.856 435 L CB -0.833 41.286 42.059 0.100 0.000 0.985 435 L HN 0.135 nan 8.230 nan 0.000 0.456 436 A N -1.203 121.603 122.820 -0.023 0.000 1.984 436 A HA -0.128 4.191 4.320 -0.002 0.000 0.214 436 A C 2.185 179.742 177.584 -0.044 0.000 1.173 436 A CA 0.576 52.602 52.037 -0.017 0.000 0.673 436 A CB -0.099 18.891 19.000 -0.017 0.000 0.830 436 A HN 0.389 nan 8.150 nan 0.000 0.453 437 Q N -1.163 118.553 119.800 -0.140 0.000 2.049 437 Q HA -0.099 4.240 4.340 -0.002 0.000 0.198 437 Q C 1.221 177.192 176.000 -0.049 0.000 0.971 437 Q CA 1.319 57.020 55.803 -0.170 0.000 0.833 437 Q CB -0.154 28.362 28.738 -0.370 0.000 0.896 437 Q HN 0.571 nan 8.270 nan 0.000 0.434 438 F N 0.496 120.463 119.950 0.029 0.000 2.699 438 F HA -0.026 4.500 4.527 -0.002 0.000 0.298 438 F C 1.802 177.617 175.800 0.025 0.000 1.154 438 F CA 1.228 59.244 58.000 0.028 0.000 1.457 438 F CB -0.269 38.749 39.000 0.031 0.000 1.106 438 F HN 0.139 nan 8.300 nan 0.000 0.585 439 T N -3.861 110.794 114.554 0.167 0.000 3.266 439 T HA 0.534 4.883 4.350 -0.002 0.000 0.278 439 T C 1.544 176.280 174.700 0.060 0.000 1.010 439 T CA 0.212 62.375 62.100 0.105 0.000 0.909 439 T CB 0.123 69.041 68.868 0.083 0.000 1.122 439 T HN 0.383 nan 8.240 nan 0.000 0.536 440 G N 0.928 109.766 108.800 0.064 0.000 2.347 440 G HA2 -0.191 3.768 3.960 -0.002 0.000 0.247 440 G HA3 -0.191 3.768 3.960 -0.002 0.000 0.247 440 G C 0.845 175.754 174.900 0.015 0.000 1.037 440 G CA -0.011 45.112 45.100 0.038 0.000 0.622 440 G HN 1.171 nan 8.290 nan 0.000 0.521 441 G N -0.054 108.746 108.800 -0.001 0.000 2.945 441 G HA2 0.382 4.341 3.960 -0.002 0.000 0.248 441 G HA3 0.382 4.341 3.960 -0.002 0.000 0.248 441 G C 0.093 174.992 174.900 -0.002 0.000 1.250 441 G CA 1.032 46.123 45.100 -0.015 0.000 0.886 441 G HN 0.787 nan 8.290 nan 0.000 0.609 442 K N -0.231 120.169 120.400 0.000 0.000 2.548 442 K HA 0.293 4.612 4.320 -0.002 0.000 0.282 442 K C -2.821 173.795 176.600 0.026 0.000 1.006 442 K CA -1.741 54.558 56.287 0.019 0.000 0.892 442 K CB 2.396 34.914 32.500 0.031 0.000 1.499 442 K HN 0.050 nan 8.250 nan 0.000 0.433 443 P HA -0.068 nan 4.420 nan 0.000 0.248 443 P C 0.903 178.251 177.300 0.080 0.000 1.550 443 P CA 0.148 63.287 63.100 0.064 0.000 1.252 443 P CB -0.062 31.687 31.700 0.083 0.000 1.869 444 L N 2.004 123.249 121.223 0.035 0.000 2.186 444 L HA -0.283 4.056 4.340 -0.002 0.000 0.221 444 L C 1.155 178.105 176.870 0.134 0.000 1.087 444 L CA 2.337 57.195 54.840 0.029 0.000 0.794 444 L CB -0.856 41.167 42.059 -0.061 0.000 0.893 444 L HN 0.384 nan 8.230 nan 0.000 0.442 445 Y N -1.240 119.128 120.300 0.114 0.000 2.420 445 Y HA -0.136 4.413 4.550 -0.002 0.000 0.292 445 Y C 2.702 178.649 175.900 0.077 0.000 1.119 445 Y CA 0.600 58.768 58.100 0.113 0.000 1.229 445 Y CB 0.276 38.809 38.460 0.120 0.000 1.026 445 Y HN 0.241 nan 8.280 nan 0.000 0.554 446 S N -0.076 115.761 115.700 0.228 0.000 2.348 446 S HA -0.120 4.348 4.470 -0.002 0.000 0.219 446 S C 2.276 176.952 174.600 0.128 0.000 1.033 446 S CA 0.796 59.086 58.200 0.150 0.000 0.974 446 S CB -0.474 62.805 63.200 0.132 0.000 0.868 446 S HN 0.485 nan 8.310 nan 0.000 0.459 447 A N 1.539 124.429 122.820 0.116 0.000 1.997 447 A HA -0.140 4.179 4.320 -0.002 0.000 0.221 447 A C 1.957 179.594 177.584 0.089 0.000 1.172 447 A CA 1.358 53.447 52.037 0.087 0.000 0.645 447 A CB -0.845 18.196 19.000 0.068 0.000 0.813 447 A HN 0.525 nan 8.150 nan 0.000 0.454 448 I N -1.305 119.340 120.570 0.125 0.000 2.676 448 I HA -0.161 4.008 4.170 -0.002 0.000 0.259 448 I C 2.232 178.396 176.117 0.077 0.000 1.194 448 I CA 0.725 62.094 61.300 0.115 0.000 1.473 448 I CB -0.096 38.015 38.000 0.184 0.000 1.096 448 I HN 0.352 nan 8.210 nan 0.000 0.443 449 L N 0.743 122.012 121.223 0.076 0.000 2.209 449 L HA 0.083 4.422 4.340 -0.002 0.000 0.207 449 L C 2.505 179.398 176.870 0.039 0.000 1.094 449 L CA 1.568 56.436 54.840 0.047 0.000 0.790 449 L CB -0.594 41.492 42.059 0.045 0.000 0.932 449 L HN 0.106 nan 8.230 nan 0.000 0.447 450 A N -0.497 122.351 122.820 0.047 0.000 1.898 450 A HA -0.157 4.162 4.320 -0.002 0.000 0.216 450 A C 2.328 179.925 177.584 0.022 0.000 1.181 450 A CA 1.184 53.240 52.037 0.032 0.000 0.620 450 A CB -0.439 18.582 19.000 0.035 0.000 0.819 450 A HN 0.350 nan 8.150 nan 0.000 0.442 451 R N -0.728 119.788 120.500 0.027 0.000 2.083 451 R HA -0.108 4.231 4.340 -0.002 0.000 0.237 451 R C 2.139 178.444 176.300 0.008 0.000 1.137 451 R CA 1.982 58.092 56.100 0.016 0.000 0.951 451 R CB -1.296 29.016 30.300 0.020 0.000 0.851 451 R HN 0.523 nan 8.270 nan 0.000 0.434 452 T N 1.270 115.831 114.554 0.011 0.000 2.896 452 T HA -0.009 4.340 4.350 -0.002 0.000 0.263 452 T C 1.698 176.399 174.700 0.002 0.000 1.050 452 T CA 0.395 62.497 62.100 0.003 0.000 1.140 452 T CB -0.021 68.847 68.868 0.001 0.000 0.877 452 T HN -0.034 nan 8.240 nan 0.000 0.457 453 L N 0.943 122.170 121.223 0.006 0.000 2.291 453 L HA 0.262 4.601 4.340 -0.002 0.000 0.214 453 L C 2.408 179.279 176.870 0.002 0.000 1.120 453 L CA 0.914 55.756 54.840 0.004 0.000 0.799 453 L CB -0.677 41.386 42.059 0.008 0.000 0.925 453 L HN 0.195 nan 8.230 nan 0.000 0.446 454 A N -1.297 121.524 122.820 0.002 0.000 1.903 454 A HA -0.101 4.218 4.320 -0.002 0.000 0.213 454 A C 2.188 179.771 177.584 -0.001 0.000 1.185 454 A CA 0.795 52.832 52.037 -0.001 0.000 0.628 454 A CB -0.251 18.749 19.000 -0.000 0.000 0.830 454 A HN 0.293 nan 8.150 nan 0.000 0.446 455 K N -0.300 120.099 120.400 -0.002 0.000 2.515 455 K HA -0.100 4.219 4.320 -0.002 0.000 0.196 455 K C 2.047 178.646 176.600 -0.000 0.000 1.038 455 K CA 0.950 57.236 56.287 -0.003 0.000 0.967 455 K CB 0.008 32.503 32.500 -0.008 0.000 0.780 455 K HN 0.656 nan 8.250 nan 0.000 0.483 456 Q N 1.165 120.965 119.800 0.000 0.000 2.084 456 Q HA -0.128 4.211 4.340 -0.002 0.000 0.194 456 Q C 1.297 177.298 176.000 0.002 0.000 0.969 456 Q CA 1.114 56.918 55.803 0.001 0.000 0.829 456 Q CB 0.264 29.003 28.738 0.001 0.000 0.904 456 Q HN 0.373 nan 8.270 nan 0.000 0.464 457 E N -0.257 119.944 120.200 0.001 0.000 2.461 457 E HA 0.201 4.550 4.350 -0.002 0.000 0.196 457 E C -0.234 176.366 176.600 0.001 0.000 1.129 457 E CA 0.097 56.498 56.400 0.001 0.000 0.902 457 E CB 0.371 30.070 29.700 -0.001 0.000 0.963 457 E HN 0.258 nan 8.360 nan 0.000 0.503 458 A N 0.000 122.821 122.820 0.002 0.000 2.254 458 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 458 A CA 0.000 52.038 52.037 0.002 0.000 0.836 458 A CB 0.000 19.001 19.000 0.001 0.000 0.831 458 A HN 0.000 nan 8.150 nan 0.000 0.486