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 2frx_1_A DATA FIRST_RESID 7 DATA SEQUENCE YFPDAFLTQX REAXPXXXXF DDFLAACQRP LRRSIRVNTL KISVADFLQL DATA SEQUENCE TAPYGWTLTP IPWCEEGFWX XXXXXXXXPL GSTAEHLSGL FYIQEASSXL DATA SEQUENCE PVAALFADGN APQRVXDVAA APGSKTTQIS ARXNNEGAIL ANEFSASRVK DATA SEQUENCE VLHANISRCG ISNVALTHFD GRVFGAAVPE XFDAILLDAP CSGEGVVRKD DATA SEQUENCE PDALKNWSPE SNQEIAATQR ELIDSAFHAL RPGGTLVYST CTLNQEENEA DATA SEQUENCE VCLWLKETYP DAVEFLPLGD LFPGANKALT EEGFLHVFPQ IYDCEGFFVA DATA SEQUENCE RLRKTQAIPA LPAPKYKVGN FPFSPVKDRE AGQIRQAATG VGLNWDENLR DATA SEQUENCE LWQRDKELWL FPVGIEALIG KVRFSRLGIK LAETHNKGYR WQHEAVIALA DATA SEQUENCE SPDNXNAFEL TPQEAEEWYR GRDVYPQAAP VADDVLVTFQ HQPIGLAKRI DATA SEQUENCE GSRLKNSYPR ELVRDGKL 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 7 Y HA 0.000 nan 4.550 nan 0.000 0.201 7 Y C 0.000 175.713 175.900 -0.312 0.000 1.272 7 Y CA 0.000 57.696 58.100 -0.673 0.000 1.940 7 Y CB 0.000 38.285 38.460 -0.292 0.000 1.050 8 F N 6.473 125.744 119.950 -1.131 0.000 2.557 8 F HA 0.643 5.170 4.527 0.000 0.000 0.316 8 F C -2.557 172.764 175.800 -0.798 0.000 1.141 8 F CA -2.255 55.243 58.000 -0.838 0.000 0.922 8 F CB 1.971 40.850 39.000 -0.202 0.000 1.194 8 F HN 0.248 nan 8.300 nan 0.000 0.443 9 P HA 0.215 nan 4.420 nan 0.000 0.278 9 P C -0.161 177.145 177.300 0.010 0.000 1.238 9 P CA -0.232 62.764 63.100 -0.173 0.000 0.794 9 P CB 1.217 32.853 31.700 -0.106 0.000 0.955 10 D N 1.936 122.383 120.400 0.079 0.000 2.106 10 D HA -0.210 4.430 4.640 -0.000 0.000 0.191 10 D C 2.058 178.404 176.300 0.078 0.000 0.997 10 D CA 2.241 56.294 54.000 0.089 0.000 0.834 10 D CB -0.796 40.058 40.800 0.091 0.000 0.956 10 D HN 0.404 nan 8.370 nan 0.000 0.448 11 A N 0.090 122.982 122.820 0.119 0.000 1.927 11 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 11 A C 2.173 179.821 177.584 0.107 0.000 1.185 11 A CA 1.807 53.947 52.037 0.171 0.000 0.639 11 A CB -1.114 18.095 19.000 0.348 0.000 0.820 11 A HN 0.396 nan 8.150 nan 0.000 0.451 12 F N -0.024 119.737 119.950 -0.315 0.000 2.163 12 F HA -0.011 4.516 4.527 -0.000 0.000 0.297 12 F C 1.861 177.544 175.800 -0.195 0.000 1.094 12 F CA 1.429 59.102 58.000 -0.545 0.000 1.290 12 F CB -0.196 38.019 39.000 -1.309 0.000 1.017 12 F HN 0.125 nan 8.300 nan 0.000 0.483 13 L N 0.268 121.335 121.223 -0.260 0.000 2.005 13 L HA -0.142 4.197 4.340 -0.000 0.000 0.207 13 L C 2.273 179.047 176.870 -0.160 0.000 1.072 13 L CA 1.832 56.524 54.840 -0.248 0.000 0.744 13 L CB -1.158 40.954 42.059 0.089 0.000 0.895 13 L HN 0.339 nan 8.230 nan 0.000 0.433 14 T N -1.782 112.721 114.554 -0.086 0.000 3.509 14 T HA 0.099 4.448 4.350 -0.000 0.000 0.250 14 T C 0.221 174.873 174.700 -0.080 0.000 1.076 14 T CA -0.289 61.762 62.100 -0.083 0.000 0.966 14 T CB -0.255 68.589 68.868 -0.041 0.000 1.046 14 T HN 0.405 nan 8.240 nan 0.000 0.591 18 E N 1.210 121.326 120.200 -0.140 0.000 2.476 18 E HA 0.308 4.657 4.350 -0.000 0.000 0.191 18 E C -0.062 176.482 176.600 -0.092 0.000 1.064 18 E CA 0.671 57.007 56.400 -0.108 0.000 0.866 18 E CB 1.371 31.024 29.700 -0.080 0.000 0.952 18 E HN 0.407 nan 8.360 nan 0.000 0.492 27 D N 1.880 122.462 120.400 0.302 0.000 2.106 27 D HA -0.193 4.447 4.640 -0.000 0.000 0.191 27 D C 1.238 177.524 176.300 -0.023 0.000 0.997 27 D CA 2.075 56.193 54.000 0.196 0.000 0.834 27 D CB -0.362 40.551 40.800 0.188 0.000 0.956 27 D HN 0.476 nan 8.370 nan 0.000 0.448 28 D N 0.020 120.418 120.400 -0.004 0.000 2.203 28 D HA -0.202 4.438 4.640 -0.000 0.000 0.199 28 D C 1.937 178.202 176.300 -0.058 0.000 0.997 28 D CA 0.644 54.631 54.000 -0.021 0.000 0.863 28 D CB -0.424 40.375 40.800 -0.000 0.000 0.928 28 D HN 0.299 nan 8.370 nan 0.000 0.458 29 F N 1.965 121.741 119.950 -0.290 0.000 2.113 29 F HA -0.100 4.427 4.527 -0.000 0.000 0.297 29 F C 2.308 177.893 175.800 -0.359 0.000 1.103 29 F CA 0.860 58.659 58.000 -0.335 0.000 1.248 29 F CB -0.497 38.221 39.000 -0.470 0.000 0.999 29 F HN -0.097 nan 8.300 nan 0.000 0.475 30 L N 0.666 121.512 121.223 -0.628 0.000 2.081 30 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 30 L C 2.320 179.010 176.870 -0.299 0.000 1.080 30 L CA 1.894 56.419 54.840 -0.526 0.000 0.754 30 L CB -1.088 40.840 42.059 -0.220 0.000 0.893 30 L HN 0.258 nan 8.230 nan 0.000 0.433 31 A N 0.439 123.145 122.820 -0.190 0.000 1.841 31 A HA -0.061 4.259 4.320 -0.000 0.000 0.214 31 A C 2.531 180.047 177.584 -0.113 0.000 1.195 31 A CA 1.800 53.779 52.037 -0.097 0.000 0.611 31 A CB -1.171 17.798 19.000 -0.053 0.000 0.835 31 A HN 0.631 nan 8.150 nan 0.000 0.443 32 A N -1.386 121.348 122.820 -0.143 0.000 1.972 32 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 32 A C 2.286 179.775 177.584 -0.160 0.000 1.169 32 A CA 1.575 53.544 52.037 -0.114 0.000 0.635 32 A CB -1.357 17.604 19.000 -0.066 0.000 0.810 32 A HN 0.622 nan 8.150 nan 0.000 0.446 33 C N -1.205 117.891 119.300 -0.339 0.000 2.401 33 C HA -0.141 4.319 4.460 -0.000 0.000 0.276 33 C C 2.682 177.604 174.990 -0.114 0.000 1.233 33 C CA 1.673 60.468 59.018 -0.372 0.000 1.753 33 C CB -0.983 26.309 27.740 -0.747 0.000 2.029 33 C HN 0.753 nan 8.230 nan 0.000 0.478 34 Q N -0.158 119.613 119.800 -0.048 0.000 2.360 34 Q HA 0.086 4.426 4.340 -0.000 0.000 0.202 34 Q C 0.621 176.639 176.000 0.030 0.000 0.915 34 Q CA -0.060 55.786 55.803 0.071 0.000 0.943 34 Q CB 0.146 28.958 28.738 0.125 0.000 1.064 34 Q HN 0.743 nan 8.270 nan 0.000 0.511 35 R N -0.349 120.150 120.500 -0.002 0.000 2.589 35 R HA 0.576 4.916 4.340 -0.000 0.000 0.293 35 R C -2.863 173.440 176.300 0.004 0.000 0.963 35 R CA -2.130 53.969 56.100 -0.002 0.000 0.905 35 R CB 0.946 31.237 30.300 -0.015 0.000 1.144 35 R HN -0.184 nan 8.270 nan 0.000 0.459 36 P HA 0.012 nan 4.420 nan 0.000 0.272 36 P C -0.676 176.637 177.300 0.020 0.000 1.230 36 P CA -0.616 62.496 63.100 0.020 0.000 0.788 36 P CB 0.466 32.176 31.700 0.018 0.000 0.949 37 L N 2.188 123.437 121.223 0.043 0.000 2.467 37 L HA 0.140 4.479 4.340 -0.000 0.000 0.270 37 L C 0.833 177.737 176.870 0.056 0.000 1.205 37 L CA 0.240 55.118 54.840 0.064 0.000 0.828 37 L CB -0.017 42.102 42.059 0.100 0.000 1.101 37 L HN 0.266 nan 8.230 nan 0.000 0.479 38 R N 3.508 124.047 120.500 0.065 0.000 2.442 38 R HA 0.191 4.530 4.340 -0.000 0.000 0.291 38 R C -0.200 176.210 176.300 0.183 0.000 1.069 38 R CA -0.626 55.521 56.100 0.078 0.000 1.022 38 R CB 0.399 30.665 30.300 -0.057 0.000 0.976 38 R HN 0.507 nan 8.270 nan 0.000 0.443 39 R N 1.333 121.891 120.500 0.098 0.000 2.537 39 R HA -0.051 4.289 4.340 -0.000 0.000 0.281 39 R C 0.117 176.498 176.300 0.135 0.000 0.988 39 R CA 0.611 56.747 56.100 0.061 0.000 1.077 39 R CB 0.598 30.865 30.300 -0.054 0.000 0.932 39 R HN 0.504 nan 8.270 nan 0.000 0.409 40 S N 2.694 118.439 115.700 0.075 0.000 2.547 40 S HA 0.611 5.081 4.470 -0.000 0.000 0.281 40 S C -1.055 173.517 174.600 -0.046 0.000 1.118 40 S CA -0.839 57.352 58.200 -0.014 0.000 0.947 40 S CB 1.136 64.284 63.200 -0.087 0.000 1.053 40 S HN 0.393 nan 8.310 nan 0.000 0.482 41 I N 3.184 123.701 120.570 -0.090 0.000 2.647 41 I HA 0.604 4.774 4.170 -0.000 0.000 0.295 41 I C -0.429 175.665 176.117 -0.038 0.000 1.078 41 I CA -0.530 60.743 61.300 -0.045 0.000 1.048 41 I CB 2.137 40.009 38.000 -0.214 0.000 1.239 41 I HN 0.784 nan 8.210 nan 0.000 0.421 42 R N 5.972 126.507 120.500 0.058 0.000 2.480 42 R HA 0.666 5.006 4.340 -0.000 0.000 0.306 42 R C -1.674 174.639 176.300 0.022 0.000 0.958 42 R CA -0.598 55.503 56.100 0.002 0.000 0.861 42 R CB 1.608 31.901 30.300 -0.012 0.000 1.171 42 R HN 0.451 nan 8.270 nan 0.000 0.445 43 V N 3.971 123.820 119.914 -0.108 0.000 2.637 43 V HA -0.004 4.116 4.120 -0.000 0.000 0.296 43 V C 0.337 176.412 176.094 -0.032 0.000 1.046 43 V CA -0.117 62.078 62.300 -0.173 0.000 1.066 43 V CB 0.983 32.643 31.823 -0.271 0.000 0.968 43 V HN 0.690 nan 8.190 nan 0.000 0.483 44 N N 3.221 121.934 118.700 0.021 0.000 2.558 44 N HA 0.141 4.881 4.740 -0.000 0.000 0.233 44 N C 0.828 176.356 175.510 0.030 0.000 1.038 44 N CA -0.049 53.020 53.050 0.032 0.000 0.934 44 N CB 0.999 39.514 38.487 0.046 0.000 1.175 44 N HN 0.634 nan 8.380 nan 0.000 0.512 45 T N 3.073 117.632 114.554 0.008 0.000 3.163 45 T HA 0.011 4.361 4.350 -0.000 0.000 0.260 45 T C 1.631 176.338 174.700 0.013 0.000 1.156 45 T CA 0.396 62.503 62.100 0.013 0.000 1.072 45 T CB -0.126 68.738 68.868 -0.007 0.000 0.937 45 T HN 0.487 nan 8.240 nan 0.000 0.528 46 L N 0.025 121.256 121.223 0.012 0.000 2.362 46 L HA 0.009 4.349 4.340 -0.000 0.000 0.219 46 L C 2.485 179.368 176.870 0.022 0.000 1.134 46 L CA 1.016 55.864 54.840 0.014 0.000 0.807 46 L CB -0.156 41.912 42.059 0.015 0.000 0.927 46 L HN 0.117 nan 8.230 nan 0.000 0.447 47 K N -1.090 119.330 120.400 0.034 0.000 2.424 47 K HA 0.386 4.706 4.320 -0.000 0.000 0.198 47 K C 0.172 176.807 176.600 0.058 0.000 1.190 47 K CA 0.229 56.542 56.287 0.043 0.000 0.935 47 K CB 1.945 34.475 32.500 0.051 0.000 1.087 47 K HN 0.060 nan 8.250 nan 0.000 0.524 48 I N 1.091 121.705 120.570 0.074 0.000 2.828 48 I HA 0.039 4.209 4.170 -0.000 0.000 0.295 48 I C -0.892 175.279 176.117 0.090 0.000 1.459 48 I CA -0.508 60.848 61.300 0.094 0.000 1.015 48 I CB 2.195 40.293 38.000 0.163 0.000 1.345 48 I HN 0.067 nan 8.210 nan 0.000 0.449 49 S N 4.409 120.154 115.700 0.076 0.000 2.614 49 S HA 0.302 4.772 4.470 -0.000 0.000 0.265 49 S C 1.078 175.743 174.600 0.108 0.000 1.303 49 S CA -0.537 57.703 58.200 0.067 0.000 1.000 49 S CB 1.644 64.870 63.200 0.043 0.000 0.935 49 S HN 0.457 nan 8.310 nan 0.000 0.551 50 V N 1.787 121.757 119.914 0.094 0.000 2.233 50 V HA -0.178 3.942 4.120 -0.000 0.000 0.247 50 V C 3.059 179.240 176.094 0.145 0.000 1.050 50 V CA 2.351 64.730 62.300 0.131 0.000 1.010 50 V CB -1.977 29.929 31.823 0.138 0.000 0.637 50 V HN 1.034 nan 8.190 nan 0.000 0.444 51 A N -0.041 122.835 122.820 0.093 0.000 1.908 51 A HA -0.291 4.029 4.320 -0.000 0.000 0.218 51 A C 2.000 179.611 177.584 0.045 0.000 1.181 51 A CA 2.225 54.298 52.037 0.060 0.000 0.627 51 A CB -0.747 18.275 19.000 0.036 0.000 0.818 51 A HN 0.559 nan 8.150 nan 0.000 0.445 52 D N -1.244 119.187 120.400 0.053 0.000 2.117 52 D HA -0.135 4.505 4.640 -0.000 0.000 0.197 52 D C 1.611 177.930 176.300 0.031 0.000 0.987 52 D CA 1.208 55.223 54.000 0.025 0.000 0.829 52 D CB -0.460 40.355 40.800 0.026 0.000 0.961 52 D HN 0.477 nan 8.370 nan 0.000 0.460 53 F N 1.007 120.939 119.950 -0.029 0.000 2.065 53 F HA -0.246 4.281 4.527 -0.000 0.000 0.298 53 F C 2.016 177.763 175.800 -0.089 0.000 1.112 53 F CA 1.074 59.056 58.000 -0.030 0.000 1.212 53 F CB -0.186 38.816 39.000 0.003 0.000 0.975 53 F HN -0.112 nan 8.300 nan 0.000 0.476 54 L N 0.556 121.843 121.223 0.106 0.000 1.990 54 L HA -0.272 4.068 4.340 -0.000 0.000 0.213 54 L C 2.529 179.300 176.870 -0.166 0.000 1.072 54 L CA 2.079 56.889 54.840 -0.050 0.000 0.755 54 L CB -1.718 40.320 42.059 -0.034 0.000 0.889 54 L HN 0.289 nan 8.230 nan 0.000 0.432 55 Q N -0.435 119.289 119.800 -0.127 0.000 2.062 55 Q HA -0.262 4.078 4.340 -0.000 0.000 0.209 55 Q C 2.153 178.006 176.000 -0.245 0.000 0.996 55 Q CA 2.281 57.991 55.803 -0.156 0.000 0.859 55 Q CB -0.696 27.975 28.738 -0.112 0.000 0.920 55 Q HN 0.382 nan 8.270 nan 0.000 0.415 56 L N -0.167 120.881 121.223 -0.291 0.000 2.141 56 L HA -0.039 4.301 4.340 -0.000 0.000 0.209 56 L C 1.608 178.160 176.870 -0.529 0.000 1.094 56 L CA 2.468 57.090 54.840 -0.365 0.000 0.763 56 L CB -0.705 41.161 42.059 -0.320 0.000 0.908 56 L HN 0.490 nan 8.230 nan 0.000 0.437 57 T N -3.971 110.206 114.554 -0.630 0.000 3.092 57 T HA 0.396 4.746 4.350 -0.000 0.000 0.258 57 T C 1.751 176.038 174.700 -0.689 0.000 1.031 57 T CA 0.248 61.887 62.100 -0.768 0.000 0.925 57 T CB -0.178 68.243 68.868 -0.745 0.000 1.036 57 T HN 0.283 nan 8.240 nan 0.000 0.544 58 A N 3.606 126.135 122.820 -0.485 0.000 1.927 58 A HA -0.058 4.262 4.320 -0.000 0.000 0.220 58 A C 0.642 177.988 177.584 -0.397 0.000 1.185 58 A CA 1.521 53.343 52.037 -0.358 0.000 0.639 58 A CB -1.759 17.090 19.000 -0.252 0.000 0.820 58 A HN 0.532 nan 8.150 nan 0.000 0.451 59 P HA -0.197 nan 4.420 nan 0.000 0.218 59 P C 0.834 177.899 177.300 -0.391 0.000 1.146 59 P CA 1.320 64.154 63.100 -0.444 0.000 0.813 59 P CB -0.366 31.009 31.700 -0.542 0.000 0.778 60 Y N -0.209 119.821 120.300 -0.449 0.000 2.583 60 Y HA 0.201 4.751 4.550 -0.000 0.000 0.293 60 Y C 1.611 177.203 175.900 -0.512 0.000 1.157 60 Y CA -0.098 57.656 58.100 -0.577 0.000 1.315 60 Y CB -0.716 37.101 38.460 -1.072 0.000 1.021 60 Y HN -0.015 nan 8.280 nan 0.000 0.536 61 G N 0.918 109.563 108.800 -0.257 0.000 2.363 61 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.286 61 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.286 61 G C -0.686 174.245 174.900 0.051 0.000 0.975 61 G CA -0.264 44.782 45.100 -0.090 0.000 1.309 61 G HN 0.271 nan 8.290 nan 0.000 0.491 62 W N -0.036 121.287 121.300 0.038 0.000 2.627 62 W HA 0.619 5.279 4.660 -0.000 0.000 0.339 62 W C 0.534 177.065 176.519 0.020 0.000 1.058 62 W CA -1.299 56.065 57.345 0.031 0.000 1.223 62 W CB 1.159 30.638 29.460 0.031 0.000 1.389 62 W HN 0.192 nan 8.180 nan 0.000 0.541 63 T N 4.172 118.887 114.554 0.268 0.000 2.817 63 T HA 0.539 4.888 4.350 -0.000 0.000 0.293 63 T C -0.094 174.725 174.700 0.200 0.000 0.964 63 T CA -0.228 61.979 62.100 0.178 0.000 1.085 63 T CB 0.317 69.261 68.868 0.127 0.000 0.921 63 T HN 0.088 nan 8.240 nan 0.000 0.502 64 L N 3.561 124.902 121.223 0.196 0.000 2.415 64 L HA 0.335 4.675 4.340 -0.000 0.000 0.268 64 L C 0.246 177.340 176.870 0.372 0.000 0.984 64 L CA -0.813 54.187 54.840 0.266 0.000 0.853 64 L CB 1.624 43.768 42.059 0.141 0.000 1.215 64 L HN 0.577 nan 8.230 nan 0.000 0.419 65 T N 4.472 119.243 114.554 0.363 0.000 2.794 65 T HA 0.241 4.591 4.350 -0.000 0.000 0.296 65 T C -2.322 172.545 174.700 0.277 0.000 0.949 65 T CA -0.967 61.326 62.100 0.322 0.000 1.101 65 T CB 0.751 69.801 68.868 0.303 0.000 0.905 65 T HN 0.308 nan 8.240 nan 0.000 0.516 66 P HA 0.233 nan 4.420 nan 0.000 0.271 66 P C -0.446 176.585 177.300 -0.449 0.000 1.216 66 P CA -0.291 62.561 63.100 -0.413 0.000 0.771 66 P CB 0.615 32.163 31.700 -0.253 0.000 0.864 67 I N 6.075 126.132 120.570 -0.856 0.000 2.371 67 I HA 0.099 4.269 4.170 -0.000 0.000 0.290 67 I C -1.232 174.268 176.117 -1.029 0.000 1.028 67 I CA -2.183 58.425 61.300 -1.154 0.000 1.345 67 I CB 1.279 38.379 38.000 -1.501 0.000 1.407 67 I HN 0.227 nan 8.210 nan 0.000 0.501 68 P HA -0.106 nan 4.420 nan 0.000 0.221 68 P C 0.500 177.460 177.300 -0.567 0.000 1.150 68 P CA 1.079 63.809 63.100 -0.617 0.000 0.800 68 P CB 0.013 31.442 31.700 -0.450 0.000 0.787 69 W N -2.396 118.467 121.300 -0.727 0.000 3.102 69 W HA 0.521 5.181 4.660 -0.000 0.000 0.401 69 W C -0.492 175.816 176.519 -0.351 0.000 1.070 69 W CA -0.916 56.092 57.345 -0.561 0.000 1.921 69 W CB -0.771 28.222 29.460 -0.779 0.000 1.118 69 W HN -0.123 nan 8.180 nan 0.000 0.647 70 C N 2.297 121.332 119.300 -0.443 0.000 2.982 70 C HA 0.271 4.731 4.460 -0.000 0.000 0.372 70 C C 1.242 175.989 174.990 -0.404 0.000 1.061 70 C CA -0.634 58.186 59.018 -0.329 0.000 1.309 70 C CB 0.096 27.634 27.740 -0.336 0.000 1.766 70 C HN 0.353 nan 8.230 nan 0.000 0.504 71 E N 1.238 121.280 120.200 -0.264 0.000 2.331 71 E HA -0.149 4.201 4.350 -0.000 0.000 0.199 71 E C 1.134 177.594 176.600 -0.233 0.000 1.008 71 E CA 1.302 57.558 56.400 -0.241 0.000 0.843 71 E CB 0.213 29.843 29.700 -0.117 0.000 0.761 71 E HN 0.775 nan 8.360 nan 0.000 0.507 72 E N -0.827 119.243 120.200 -0.218 0.000 2.476 72 E HA 0.208 4.558 4.350 -0.000 0.000 0.196 72 E C 0.129 176.625 176.600 -0.173 0.000 1.029 72 E CA 0.057 56.381 56.400 -0.126 0.000 0.896 72 E CB 1.187 30.828 29.700 -0.099 0.000 1.012 72 E HN 0.137 nan 8.360 nan 0.000 0.475 73 G N -0.119 108.417 108.800 -0.440 0.000 2.452 73 G HA2 0.619 4.579 3.960 -0.000 0.000 0.324 73 G HA3 0.619 4.579 3.960 -0.000 0.000 0.324 73 G C -1.058 173.341 174.900 -0.835 0.000 1.214 73 G CA -0.439 44.358 45.100 -0.504 0.000 0.947 73 G HN -0.000 nan 8.290 nan 0.000 0.478 74 F N -0.310 119.404 119.950 -0.393 0.000 2.631 74 F HA 0.558 5.085 4.527 -0.000 0.000 0.308 74 F C -0.362 175.275 175.800 -0.271 0.000 1.097 74 F CA -1.073 56.757 58.000 -0.283 0.000 0.952 74 F CB 1.970 40.893 39.000 -0.129 0.000 1.307 74 F HN 0.360 nan 8.300 nan 0.000 0.450 86 L N 0.740 121.943 121.223 -0.034 0.000 2.021 86 L HA -0.193 4.147 4.340 -0.000 0.000 0.215 86 L C 2.297 179.164 176.870 -0.005 0.000 1.074 86 L CA 2.537 57.387 54.840 0.016 0.000 0.760 86 L CB -0.478 41.579 42.059 -0.003 0.000 0.889 86 L HN 0.627 nan 8.230 nan 0.000 0.433 87 G N -2.246 106.421 108.800 -0.222 0.000 2.471 87 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.219 87 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.219 87 G C 1.335 176.048 174.900 -0.312 0.000 1.125 87 G CA 0.596 45.340 45.100 -0.594 0.000 0.775 87 G HN 0.327 nan 8.290 nan 0.000 0.548 88 S N -0.203 115.423 115.700 -0.123 0.000 2.618 88 S HA 0.266 4.736 4.470 -0.000 0.000 0.242 88 S C 0.387 174.977 174.600 -0.017 0.000 0.972 88 S CA -0.239 57.922 58.200 -0.066 0.000 1.004 88 S CB 0.276 63.450 63.200 -0.043 0.000 0.778 88 S HN 0.257 nan 8.310 nan 0.000 0.459 89 T N 0.964 115.546 114.554 0.048 0.000 2.824 89 T HA 0.571 4.921 4.350 -0.000 0.000 0.280 89 T C 1.353 176.134 174.700 0.136 0.000 0.995 89 T CA -0.136 62.028 62.100 0.107 0.000 1.009 89 T CB 1.090 70.081 68.868 0.205 0.000 0.955 89 T HN 0.186 nan 8.240 nan 0.000 0.452 90 A N 4.283 127.191 122.820 0.147 0.000 1.923 90 A HA -0.225 4.094 4.320 -0.000 0.000 0.222 90 A C 1.943 179.665 177.584 0.231 0.000 1.258 90 A CA 2.703 54.871 52.037 0.219 0.000 0.670 90 A CB -0.977 18.308 19.000 0.475 0.000 0.834 90 A HN 0.926 nan 8.150 nan 0.000 0.470 91 E N -1.560 118.831 120.200 0.317 0.000 2.160 91 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 91 E C 2.009 178.700 176.600 0.152 0.000 0.991 91 E CA 1.256 57.864 56.400 0.348 0.000 0.810 91 E CB -0.338 29.699 29.700 0.562 0.000 0.742 91 E HN 0.820 nan 8.360 nan 0.000 0.466 92 H N 0.169 119.188 119.070 -0.085 0.000 2.363 92 H HA 0.016 4.572 4.556 -0.000 0.000 0.301 92 H C 1.924 177.057 175.328 -0.325 0.000 1.074 92 H CA 1.091 56.784 56.048 -0.592 0.000 1.354 92 H CB -0.015 29.420 29.762 -0.546 0.000 1.397 92 H HN 0.168 nan 8.280 nan 0.000 0.516 93 L N 0.775 121.942 121.223 -0.093 0.000 2.201 93 L HA -0.124 4.216 4.340 -0.000 0.000 0.212 93 L C 2.356 179.195 176.870 -0.051 0.000 1.105 93 L CA 1.433 56.164 54.840 -0.182 0.000 0.775 93 L CB -0.184 41.479 42.059 -0.661 0.000 0.913 93 L HN 0.281 nan 8.230 nan 0.000 0.440 94 S N -1.074 114.639 115.700 0.023 0.000 2.605 94 S HA 0.254 4.724 4.470 -0.000 0.000 0.217 94 S C 1.330 175.925 174.600 -0.008 0.000 0.958 94 S CA 0.187 58.434 58.200 0.078 0.000 0.919 94 S CB 0.419 63.706 63.200 0.144 0.000 0.780 94 S HN 0.471 nan 8.310 nan 0.000 0.507 95 G N 1.484 110.205 108.800 -0.132 0.000 2.212 95 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.255 95 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.255 95 G C 0.292 175.135 174.900 -0.096 0.000 1.062 95 G CA 0.392 45.378 45.100 -0.189 0.000 0.815 95 G HN 0.557 nan 8.290 nan 0.000 0.497 96 L N -1.373 119.835 121.223 -0.025 0.000 2.585 96 L HA 0.497 4.837 4.340 -0.000 0.000 0.226 96 L C 0.899 177.925 176.870 0.259 0.000 1.113 96 L CA 0.194 55.138 54.840 0.174 0.000 0.876 96 L CB -0.135 42.122 42.059 0.330 0.000 1.072 96 L HN 0.519 nan 8.230 nan 0.000 0.468 97 F N -2.463 117.524 119.950 0.060 0.000 2.654 97 F HA 0.508 5.035 4.527 -0.000 0.000 0.308 97 F C -1.446 174.357 175.800 0.005 0.000 1.108 97 F CA -1.787 56.223 58.000 0.017 0.000 0.957 97 F CB 0.836 39.857 39.000 0.034 0.000 1.309 97 F HN -0.240 nan 8.300 nan 0.000 0.446 98 Y N 3.693 124.109 120.300 0.193 0.000 2.341 98 Y HA 0.630 5.179 4.550 -0.000 0.000 0.337 98 Y C 0.060 176.157 175.900 0.327 0.000 1.014 98 Y CA -1.192 56.982 58.100 0.123 0.000 1.111 98 Y CB 1.347 39.827 38.460 0.034 0.000 1.194 98 Y HN 0.647 nan 8.280 nan 0.000 0.462 99 I N 7.126 128.055 120.570 0.599 0.000 2.372 99 I HA 0.049 4.219 4.170 -0.000 0.000 0.298 99 I C -0.540 175.857 176.117 0.467 0.000 1.137 99 I CA 0.311 61.900 61.300 0.483 0.000 1.314 99 I CB -0.332 37.869 38.000 0.336 0.000 1.444 99 I HN 0.574 nan 8.210 nan 0.000 0.541 100 Q N 5.726 125.683 119.800 0.261 0.000 2.416 100 Q HA 0.476 4.816 4.340 -0.000 0.000 0.281 100 Q C -1.212 174.791 176.000 0.006 0.000 1.067 100 Q CA -1.087 54.772 55.803 0.093 0.000 0.809 100 Q CB 1.983 30.665 28.738 -0.093 0.000 1.418 100 Q HN 0.533 nan 8.270 nan 0.000 0.411 101 E N 1.106 121.304 120.200 -0.003 0.000 2.366 101 E HA 0.329 4.678 4.350 -0.000 0.000 0.266 101 E C 0.291 176.841 176.600 -0.083 0.000 1.051 101 E CA 0.124 56.520 56.400 -0.007 0.000 0.884 101 E CB 1.091 30.814 29.700 0.039 0.000 1.006 101 E HN 0.736 nan 8.360 nan 0.000 0.417 102 A N 3.000 125.771 122.820 -0.082 0.000 1.902 102 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 102 A C 2.294 179.913 177.584 0.057 0.000 1.181 102 A CA 1.780 53.757 52.037 -0.100 0.000 0.623 102 A CB -0.657 18.193 19.000 -0.251 0.000 0.818 102 A HN 0.621 nan 8.150 nan 0.000 0.443 103 S N -0.332 115.307 115.700 -0.102 0.000 2.387 103 S HA -0.068 4.402 4.470 -0.000 0.000 0.230 103 S C 1.491 175.474 174.600 -1.029 0.000 1.035 103 S CA 0.966 58.783 58.200 -0.639 0.000 1.014 103 S CB -0.320 62.409 63.200 -0.785 0.000 0.836 103 S HN 0.591 nan 8.310 nan 0.000 0.466 107 P HA -0.093 nan 4.420 nan 0.000 0.215 107 P C 1.887 179.197 177.300 0.016 0.000 1.157 107 P CA 2.122 65.213 63.100 -0.015 0.000 0.874 107 P CB 0.132 31.863 31.700 0.052 0.000 0.790 108 V N -0.111 119.819 119.914 0.027 0.000 2.407 108 V HA -0.247 3.872 4.120 -0.000 0.000 0.248 108 V C 2.456 178.659 176.094 0.182 0.000 1.055 108 V CA 2.162 64.531 62.300 0.114 0.000 1.049 108 V CB -1.784 30.079 31.823 0.065 0.000 0.662 108 V HN 0.112 nan 8.190 nan 0.000 0.455 109 A N 0.186 123.063 122.820 0.094 0.000 1.873 109 A HA -0.090 4.230 4.320 -0.000 0.000 0.215 109 A C 2.480 180.151 177.584 0.144 0.000 1.186 109 A CA 2.017 54.127 52.037 0.121 0.000 0.616 109 A CB -0.893 18.168 19.000 0.102 0.000 0.823 109 A HN 0.562 nan 8.150 nan 0.000 0.442 110 A N -0.442 122.427 122.820 0.081 0.000 1.892 110 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 110 A C 2.124 179.752 177.584 0.073 0.000 1.188 110 A CA 1.939 54.017 52.037 0.069 0.000 0.631 110 A CB -0.769 18.247 19.000 0.027 0.000 0.822 110 A HN 0.592 nan 8.150 nan 0.000 0.447 111 L N -1.801 119.462 121.223 0.066 0.000 2.081 111 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 111 L C 1.632 178.395 176.870 -0.178 0.000 1.080 111 L CA 1.850 56.653 54.840 -0.063 0.000 0.754 111 L CB -0.452 41.545 42.059 -0.103 0.000 0.893 111 L HN 0.437 nan 8.230 nan 0.000 0.433 112 F N -0.882 119.082 119.950 0.024 0.000 2.641 112 F HA 0.415 4.942 4.527 -0.000 0.000 0.302 112 F C 1.332 177.152 175.800 0.033 0.000 1.098 112 F CA -0.166 57.850 58.000 0.027 0.000 1.318 112 F CB -0.644 38.368 39.000 0.021 0.000 1.035 112 F HN -0.027 nan 8.300 nan 0.000 0.551 113 A N 0.116 123.039 122.820 0.172 0.000 2.492 113 A HA 0.061 4.380 4.320 -0.000 0.000 0.236 113 A C 0.801 178.445 177.584 0.101 0.000 1.078 113 A CA 0.117 52.230 52.037 0.127 0.000 0.773 113 A CB -0.196 18.865 19.000 0.102 0.000 1.023 113 A HN 0.540 nan 8.150 nan 0.000 0.504 114 D N 0.051 120.503 120.400 0.086 0.000 2.697 114 D HA -0.196 4.443 4.640 -0.000 0.000 0.238 114 D C 0.942 177.283 176.300 0.069 0.000 1.152 114 D CA 1.693 55.733 54.000 0.067 0.000 0.666 114 D CB -1.763 39.069 40.800 0.053 0.000 1.037 114 D HN 1.906 nan 8.370 nan 0.000 0.423 115 G N 0.465 109.316 108.800 0.084 0.000 2.337 115 G HA2 -0.406 3.553 3.960 -0.000 0.000 0.290 115 G HA3 -0.406 3.553 3.960 -0.000 0.000 0.290 115 G C 0.338 175.296 174.900 0.096 0.000 1.003 115 G CA 0.569 45.723 45.100 0.090 0.000 0.825 115 G HN 0.585 nan 8.290 nan 0.000 0.509 116 N N 0.528 119.285 118.700 0.095 0.000 2.440 116 N HA 0.439 5.179 4.740 -0.000 0.000 0.265 116 N C 0.349 175.917 175.510 0.096 0.000 1.239 116 N CA 0.891 53.971 53.050 0.050 0.000 0.909 116 N CB 0.514 38.989 38.487 -0.021 0.000 1.066 116 N HN 0.771 nan 8.380 nan 0.000 0.474 117 A N 4.937 127.800 122.820 0.071 0.000 3.258 117 A HA 0.337 4.656 4.320 -0.000 0.000 0.318 117 A C -2.352 175.275 177.584 0.070 0.000 0.990 117 A CA -1.080 51.041 52.037 0.141 0.000 0.885 117 A CB 0.092 19.172 19.000 0.134 0.000 1.090 117 A HN 0.578 nan 8.150 nan 0.000 0.479 118 P HA 0.208 nan 4.420 nan 0.000 0.275 118 P C -0.095 177.233 177.300 0.046 0.000 1.227 118 P CA 0.057 63.133 63.100 -0.039 0.000 0.781 118 P CB 1.152 32.748 31.700 -0.173 0.000 0.906 119 Q N 0.667 120.498 119.800 0.051 0.000 2.350 119 Q HA 0.122 4.462 4.340 -0.000 0.000 0.225 119 Q C 0.608 176.658 176.000 0.084 0.000 0.878 119 Q CA 0.208 56.056 55.803 0.074 0.000 0.935 119 Q CB 0.649 29.422 28.738 0.057 0.000 1.099 119 Q HN 0.331 nan 8.270 nan 0.000 0.527 120 R N 0.885 121.439 120.500 0.089 0.000 2.500 120 R HA 0.442 4.781 4.340 -0.000 0.000 0.299 120 R C -1.628 174.823 176.300 0.251 0.000 1.038 120 R CA -0.195 55.995 56.100 0.149 0.000 0.903 120 R CB 1.244 31.591 30.300 0.078 0.000 1.177 120 R HN -0.148 nan 8.270 nan 0.000 0.455 124 V N 1.470 121.331 119.914 -0.087 0.000 2.346 124 V HA 0.263 4.383 4.120 -0.000 0.000 0.244 124 V C 1.381 177.505 176.094 0.049 0.000 1.037 124 V CA 1.400 63.698 62.300 -0.003 0.000 1.029 124 V CB -0.434 31.406 31.823 0.029 0.000 0.663 124 V HN 0.689 nan 8.190 nan 0.000 0.454 125 A N -0.412 122.418 122.820 0.018 0.000 2.644 125 A HA 0.785 5.105 4.320 -0.000 0.000 0.343 125 A C 1.024 178.622 177.584 0.024 0.000 1.324 125 A CA 0.270 52.326 52.037 0.032 0.000 0.846 125 A CB 0.803 19.817 19.000 0.023 0.000 1.128 125 A HN 0.356 nan 8.150 nan 0.000 0.484 126 A N 1.830 124.670 122.820 0.033 0.000 1.975 126 A HA 0.514 4.834 4.320 -0.000 0.000 0.215 126 A C 1.529 179.141 177.584 0.047 0.000 1.170 126 A CA 1.006 53.062 52.037 0.032 0.000 0.656 126 A CB -0.411 18.611 19.000 0.038 0.000 0.821 126 A HN 1.581 nan 8.150 nan 0.000 0.449 127 A N 0.546 123.402 122.820 0.059 0.000 2.483 127 A HA 0.434 4.754 4.320 -0.000 0.000 0.238 127 A C -1.390 176.235 177.584 0.068 0.000 1.070 127 A CA -0.467 51.613 52.037 0.072 0.000 0.770 127 A CB -0.112 18.930 19.000 0.070 0.000 1.008 127 A HN 0.244 nan 8.150 nan 0.000 0.497 128 P HA 0.245 nan 4.420 nan 0.000 0.261 128 P C 0.708 178.112 177.300 0.174 0.000 1.352 128 P CA 0.898 64.075 63.100 0.129 0.000 0.891 128 P CB 0.594 32.385 31.700 0.151 0.000 1.383 129 G N -0.994 107.875 108.800 0.116 0.000 2.255 129 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.196 129 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.196 129 G C 1.357 176.219 174.900 -0.063 0.000 0.998 129 G CA 0.327 45.500 45.100 0.122 0.000 0.656 129 G HN 0.210 nan 8.290 nan 0.000 0.490 130 S N 1.002 116.521 115.700 -0.301 0.000 2.380 130 S HA -0.219 4.251 4.470 -0.000 0.000 0.229 130 S C 2.145 176.473 174.600 -0.452 0.000 1.050 130 S CA 1.850 59.561 58.200 -0.814 0.000 1.100 130 S CB -0.312 62.612 63.200 -0.460 0.000 0.984 130 S HN 0.693 nan 8.310 nan 0.000 0.434 131 K N 0.640 120.918 120.400 -0.204 0.000 2.076 131 K HA 0.028 4.348 4.320 -0.000 0.000 0.204 131 K C 2.455 179.021 176.600 -0.058 0.000 1.051 131 K CA 1.380 57.601 56.287 -0.110 0.000 0.949 131 K CB -0.794 31.677 32.500 -0.048 0.000 0.726 131 K HN 0.350 nan 8.250 nan 0.000 0.443 132 T N 1.685 116.219 114.554 -0.033 0.000 2.635 132 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 132 T C 2.279 176.992 174.700 0.020 0.000 1.040 132 T CA 2.472 64.580 62.100 0.013 0.000 1.156 132 T CB -0.760 68.129 68.868 0.035 0.000 0.863 132 T HN 0.532 nan 8.240 nan 0.000 0.430 133 T N 0.562 115.123 114.554 0.012 0.000 2.759 133 T HA -0.205 4.145 4.350 -0.000 0.000 0.269 133 T C 2.006 176.708 174.700 0.003 0.000 1.042 133 T CA 1.588 63.715 62.100 0.045 0.000 1.140 133 T CB -0.480 68.486 68.868 0.163 0.000 0.864 133 T HN 0.434 nan 8.240 nan 0.000 0.455 134 Q N 0.402 120.172 119.800 -0.050 0.000 2.079 134 Q HA -0.021 4.319 4.340 -0.000 0.000 0.200 134 Q C 2.355 178.316 176.000 -0.065 0.000 0.974 134 Q CA 1.392 57.155 55.803 -0.067 0.000 0.840 134 Q CB -0.312 28.368 28.738 -0.096 0.000 0.898 134 Q HN 0.682 nan 8.270 nan 0.000 0.430 135 I N 0.017 120.591 120.570 0.007 0.000 2.179 135 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 135 I C 2.631 178.768 176.117 0.034 0.000 1.088 135 I CA 1.179 62.536 61.300 0.095 0.000 1.357 135 I CB -0.478 37.648 38.000 0.209 0.000 1.051 135 I HN 0.182 nan 8.210 nan 0.000 0.409 136 S N 0.601 116.325 115.700 0.041 0.000 2.359 136 S HA -0.299 4.171 4.470 -0.000 0.000 0.222 136 S C 2.299 176.893 174.600 -0.009 0.000 1.038 136 S CA 1.833 60.056 58.200 0.039 0.000 1.051 136 S CB -0.468 62.759 63.200 0.045 0.000 0.944 136 S HN 0.477 nan 8.310 nan 0.000 0.433 137 A N 2.256 125.055 122.820 -0.036 0.000 1.948 137 A HA -0.075 4.245 4.320 -0.000 0.000 0.220 137 A C 1.659 179.165 177.584 -0.130 0.000 1.177 137 A CA 1.036 53.037 52.037 -0.060 0.000 0.636 137 A CB -0.589 18.380 19.000 -0.052 0.000 0.815 137 A HN 0.582 nan 8.150 nan 0.000 0.449 141 N N 0.392 119.114 118.700 0.037 0.000 2.878 141 N HA -0.182 4.558 4.740 -0.000 0.000 0.247 141 N C -0.513 175.039 175.510 0.070 0.000 1.021 141 N CA 0.957 54.039 53.050 0.054 0.000 0.873 141 N CB -0.082 38.434 38.487 0.049 0.000 1.128 141 N HN 0.287 nan 8.380 nan 0.000 0.571 142 E N -0.367 119.877 120.200 0.073 0.000 2.330 142 E HA 0.664 5.014 4.350 -0.000 0.000 0.256 142 E C 1.140 177.795 176.600 0.092 0.000 1.146 142 E CA 0.724 57.173 56.400 0.082 0.000 0.945 142 E CB 0.578 30.324 29.700 0.077 0.000 1.182 142 E HN 0.392 nan 8.360 nan 0.000 0.480 143 G N -0.028 108.826 108.800 0.090 0.000 2.574 143 G HA2 0.103 4.063 3.960 -0.000 0.000 0.282 143 G HA3 0.103 4.063 3.960 -0.000 0.000 0.282 143 G C -0.430 174.525 174.900 0.091 0.000 1.257 143 G CA 0.143 45.297 45.100 0.090 0.000 0.956 143 G HN 1.077 nan 8.290 nan 0.000 0.560 144 A N -1.463 121.414 122.820 0.096 0.000 2.604 144 A HA 0.767 5.087 4.320 -0.000 0.000 0.295 144 A C -0.764 176.890 177.584 0.117 0.000 1.067 144 A CA -0.108 51.986 52.037 0.094 0.000 0.683 144 A CB 1.261 20.305 19.000 0.073 0.000 1.281 144 A HN 1.407 nan 8.150 nan 0.000 0.407 145 I N 1.182 121.816 120.570 0.108 0.000 2.545 145 I HA 0.425 4.594 4.170 -0.000 0.000 0.292 145 I C -0.914 175.267 176.117 0.106 0.000 1.040 145 I CA -0.603 60.755 61.300 0.097 0.000 1.068 145 I CB 2.026 40.071 38.000 0.075 0.000 1.251 145 I HN 0.640 nan 8.210 nan 0.000 0.424 146 L N 6.202 127.466 121.223 0.068 0.000 2.262 146 L HA 0.714 5.054 4.340 -0.000 0.000 0.288 146 L C -0.066 176.777 176.870 -0.045 0.000 1.035 146 L CA -0.152 54.724 54.840 0.060 0.000 0.820 146 L CB 0.987 43.091 42.059 0.074 0.000 1.204 146 L HN 0.745 nan 8.230 nan 0.000 0.424 147 A N 4.370 127.213 122.820 0.038 0.000 2.280 147 A HA 0.426 4.746 4.320 -0.000 0.000 0.320 147 A C -0.575 177.043 177.584 0.057 0.000 1.366 147 A CA -0.580 51.474 52.037 0.029 0.000 0.938 147 A CB 0.149 19.187 19.000 0.063 0.000 1.157 147 A HN 0.781 nan 8.150 nan 0.000 0.536 148 N N 1.535 120.266 118.700 0.051 0.000 2.430 148 N HA 0.500 5.240 4.740 -0.000 0.000 0.292 148 N C -0.836 174.730 175.510 0.093 0.000 1.051 148 N CA -0.103 53.025 53.050 0.131 0.000 0.917 148 N CB 1.249 39.926 38.487 0.317 0.000 1.164 148 N HN 0.565 nan 8.380 nan 0.000 0.484 149 E N 2.897 123.133 120.200 0.060 0.000 2.275 149 E HA 0.225 4.575 4.350 -0.000 0.000 0.270 149 E C -0.514 176.075 176.600 -0.020 0.000 0.882 149 E CA -0.557 55.868 56.400 0.041 0.000 0.758 149 E CB 0.597 30.320 29.700 0.038 0.000 1.195 149 E HN 0.572 nan 8.360 nan 0.000 0.419 150 F N 2.370 122.211 119.950 -0.181 0.000 2.113 150 F HA -0.032 4.495 4.527 -0.000 0.000 0.297 150 F C 1.160 176.725 175.800 -0.392 0.000 1.103 150 F CA 0.672 58.501 58.000 -0.284 0.000 1.248 150 F CB 0.337 39.266 39.000 -0.118 0.000 0.999 150 F HN 0.429 nan 8.300 nan 0.000 0.475 151 S N 0.257 115.853 115.700 -0.173 0.000 2.505 151 S HA 0.364 4.834 4.470 -0.000 0.000 0.276 151 S C 0.908 175.451 174.600 -0.096 0.000 1.274 151 S CA 0.022 58.097 58.200 -0.208 0.000 1.053 151 S CB 1.468 64.596 63.200 -0.121 0.000 0.919 151 S HN 0.427 nan 8.310 nan 0.000 0.490 152 A N 4.597 127.430 122.820 0.023 0.000 1.883 152 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 152 A C 2.457 180.088 177.584 0.078 0.000 1.186 152 A CA 2.300 54.432 52.037 0.158 0.000 0.624 152 A CB -1.469 17.631 19.000 0.167 0.000 0.822 152 A HN 1.268 nan 8.150 nan 0.000 0.444 153 S N -0.499 115.224 115.700 0.038 0.000 2.399 153 S HA -0.157 4.313 4.470 -0.000 0.000 0.231 153 S C 1.901 176.527 174.600 0.044 0.000 1.022 153 S CA 1.115 59.336 58.200 0.034 0.000 0.983 153 S CB -0.419 62.792 63.200 0.018 0.000 0.803 153 S HN 0.540 nan 8.310 nan 0.000 0.480 154 R N 0.805 121.327 120.500 0.037 0.000 2.189 154 R HA 0.176 4.516 4.340 -0.000 0.000 0.218 154 R C 2.239 178.581 176.300 0.071 0.000 1.074 154 R CA 0.800 56.930 56.100 0.049 0.000 0.991 154 R CB -1.083 29.239 30.300 0.036 0.000 0.883 154 R HN 0.444 nan 8.270 nan 0.000 0.457 155 V N 1.641 121.599 119.914 0.074 0.000 2.343 155 V HA -0.271 3.849 4.120 -0.000 0.000 0.247 155 V C 1.887 178.059 176.094 0.131 0.000 1.051 155 V CA 1.904 64.264 62.300 0.100 0.000 1.036 155 V CB -0.341 31.546 31.823 0.107 0.000 0.654 155 V HN 0.258 nan 8.190 nan 0.000 0.451 156 K N 0.111 120.580 120.400 0.114 0.000 2.147 156 K HA -0.086 4.234 4.320 -0.000 0.000 0.205 156 K C 1.861 178.550 176.600 0.148 0.000 1.049 156 K CA 1.051 57.418 56.287 0.134 0.000 0.936 156 K CB -0.649 31.906 32.500 0.092 0.000 0.722 156 K HN 0.332 nan 8.250 nan 0.000 0.446 157 V N 1.235 121.216 119.914 0.113 0.000 2.358 157 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 157 V C 2.086 178.252 176.094 0.120 0.000 1.047 157 V CA 1.394 63.756 62.300 0.103 0.000 1.035 157 V CB -0.441 31.435 31.823 0.088 0.000 0.658 157 V HN 0.228 nan 8.190 nan 0.000 0.452 158 L N -0.159 121.145 121.223 0.135 0.000 2.046 158 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 158 L C 2.521 179.479 176.870 0.146 0.000 1.077 158 L CA 2.241 57.165 54.840 0.141 0.000 0.747 158 L CB -0.874 41.266 42.059 0.134 0.000 0.896 158 L HN 0.505 nan 8.230 nan 0.000 0.432 159 H N -0.708 118.420 119.070 0.096 0.000 2.395 159 H HA -0.020 4.536 4.556 -0.000 0.000 0.299 159 H C 1.913 177.299 175.328 0.095 0.000 1.070 159 H CA 1.177 57.286 56.048 0.101 0.000 1.356 159 H CB 0.309 30.135 29.762 0.106 0.000 1.401 159 H HN 0.468 nan 8.280 nan 0.000 0.524 160 A N 1.381 124.206 122.820 0.007 0.000 1.902 160 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 160 A C 2.316 179.854 177.584 -0.076 0.000 1.181 160 A CA 1.391 53.406 52.037 -0.037 0.000 0.623 160 A CB -0.588 18.447 19.000 0.059 0.000 0.818 160 A HN 0.567 nan 8.150 nan 0.000 0.443 161 N N -0.319 118.368 118.700 -0.021 0.000 2.223 161 N HA -0.096 4.644 4.740 -0.000 0.000 0.185 161 N C 1.722 177.222 175.510 -0.016 0.000 1.016 161 N CA 1.489 54.526 53.050 -0.021 0.000 0.863 161 N CB -0.227 38.308 38.487 0.080 0.000 0.983 161 N HN 0.522 nan 8.380 nan 0.000 0.429 162 I N 0.298 120.852 120.570 -0.026 0.000 2.233 162 I HA -0.217 3.953 4.170 -0.000 0.000 0.243 162 I C 2.624 178.699 176.117 -0.071 0.000 1.093 162 I CA 0.737 62.024 61.300 -0.021 0.000 1.380 162 I CB -0.278 37.721 38.000 -0.001 0.000 1.067 162 I HN 0.068 nan 8.210 nan 0.000 0.413 163 S N 0.706 116.295 115.700 -0.185 0.000 2.399 163 S HA -0.233 4.237 4.470 -0.000 0.000 0.231 163 S C 2.235 176.819 174.600 -0.026 0.000 1.022 163 S CA 1.376 59.498 58.200 -0.130 0.000 0.983 163 S CB -0.299 62.761 63.200 -0.233 0.000 0.803 163 S HN 0.307 nan 8.310 nan 0.000 0.480 164 R N -0.505 119.975 120.500 -0.034 0.000 2.092 164 R HA 0.021 4.361 4.340 -0.000 0.000 0.231 164 R C 1.853 178.121 176.300 -0.054 0.000 1.119 164 R CA 1.638 57.724 56.100 -0.024 0.000 0.970 164 R CB -0.466 29.778 30.300 -0.093 0.000 0.864 164 R HN 0.512 nan 8.270 nan 0.000 0.440 165 C N -0.004 119.265 119.300 -0.052 0.000 2.626 165 C HA 0.286 4.746 4.460 -0.000 0.000 0.266 165 C C 1.150 176.135 174.990 -0.009 0.000 1.317 165 C CA 0.318 59.318 59.018 -0.031 0.000 1.716 165 C CB -0.521 27.221 27.740 0.005 0.000 1.819 165 C HN 0.784 nan 8.230 nan 0.000 0.578 166 G N 1.558 110.351 108.800 -0.011 0.000 2.272 166 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.280 166 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.280 166 G C -0.225 174.682 174.900 0.012 0.000 1.067 166 G CA -0.154 44.943 45.100 -0.005 0.000 0.902 166 G HN 0.566 nan 8.290 nan 0.000 0.500 167 I N 0.892 121.473 120.570 0.019 0.000 2.395 167 I HA 0.390 4.560 4.170 -0.000 0.000 0.289 167 I C 1.486 177.632 176.117 0.048 0.000 1.023 167 I CA 0.573 61.895 61.300 0.037 0.000 1.350 167 I CB 1.670 39.697 38.000 0.045 0.000 1.409 167 I HN 0.290 nan 8.210 nan 0.000 0.507 168 S N 2.727 118.462 115.700 0.058 0.000 2.559 168 S HA 0.036 4.506 4.470 -0.000 0.000 0.226 168 S C 0.754 175.404 174.600 0.083 0.000 1.030 168 S CA -0.316 57.925 58.200 0.069 0.000 0.956 168 S CB -0.346 62.890 63.200 0.060 0.000 0.900 168 S HN 0.791 nan 8.310 nan 0.000 0.510 169 N N 1.159 119.906 118.700 0.079 0.000 2.327 169 N HA 0.226 4.966 4.740 -0.000 0.000 0.231 169 N C -0.606 174.950 175.510 0.077 0.000 1.130 169 N CA -0.262 52.837 53.050 0.080 0.000 0.845 169 N CB 0.563 39.100 38.487 0.084 0.000 1.073 169 N HN 0.124 nan 8.380 nan 0.000 0.496 170 V N 0.873 120.836 119.914 0.081 0.000 2.555 170 V HA 0.696 4.816 4.120 -0.000 0.000 0.302 170 V C -0.081 176.060 176.094 0.079 0.000 1.038 170 V CA -0.882 61.470 62.300 0.087 0.000 0.887 170 V CB 1.393 33.275 31.823 0.098 0.000 0.991 170 V HN 0.379 nan 8.190 nan 0.000 0.434 171 A N 4.735 127.607 122.820 0.088 0.000 2.354 171 A HA 0.967 5.286 4.320 -0.000 0.000 0.321 171 A C -1.473 176.245 177.584 0.223 0.000 1.125 171 A CA -0.599 51.496 52.037 0.097 0.000 0.799 171 A CB 1.370 20.343 19.000 -0.044 0.000 1.293 171 A HN 0.609 nan 8.150 nan 0.000 0.452 172 L N 1.306 122.687 121.223 0.262 0.000 2.341 172 L HA 0.682 5.021 4.340 -0.000 0.000 0.278 172 L C 0.691 177.666 176.870 0.174 0.000 1.005 172 L CA 0.122 55.083 54.840 0.202 0.000 0.818 172 L CB 1.755 43.913 42.059 0.164 0.000 1.259 172 L HN 0.934 nan 8.230 nan 0.000 0.418 173 T N -1.866 112.724 114.554 0.059 0.000 2.930 173 T HA 0.508 4.858 4.350 -0.000 0.000 0.290 173 T C -0.659 173.956 174.700 -0.142 0.000 1.052 173 T CA -0.575 61.440 62.100 -0.142 0.000 1.017 173 T CB 1.759 70.530 68.868 -0.162 0.000 1.137 173 T HN 0.572 nan 8.240 nan 0.000 0.511 174 H N 1.015 119.751 119.070 -0.556 0.000 2.675 174 H HA 0.522 5.078 4.556 -0.000 0.000 0.258 174 H C -1.968 173.077 175.328 -0.472 0.000 1.271 174 H CA -1.207 54.645 56.048 -0.326 0.000 1.462 174 H CB -0.462 29.168 29.762 -0.219 0.000 1.467 174 H HN 0.619 nan 8.280 nan 0.000 0.501 175 F N 0.783 120.785 119.950 0.086 0.000 2.650 175 F HA 0.144 4.670 4.527 -0.000 0.000 0.320 175 F C 0.311 175.892 175.800 -0.365 0.000 1.091 175 F CA -1.185 56.763 58.000 -0.088 0.000 0.962 175 F CB 1.743 40.506 39.000 -0.395 0.000 1.363 175 F HN 0.245 nan 8.300 nan 0.000 0.482 176 D N 0.713 120.913 120.400 -0.334 0.000 2.663 176 D HA 0.223 4.862 4.640 -0.000 0.000 0.243 176 D C 1.479 177.450 176.300 -0.548 0.000 1.218 176 D CA 0.609 54.075 54.000 -0.890 0.000 0.846 176 D CB -0.301 40.136 40.800 -0.606 0.000 1.014 176 D HN 0.809 nan 8.370 nan 0.000 0.476 177 G N 1.764 110.313 108.800 -0.418 0.000 3.469 177 G HA2 -0.551 3.409 3.960 -0.000 0.000 0.225 177 G HA3 -0.551 3.409 3.960 -0.000 0.000 0.225 177 G C 1.552 176.358 174.900 -0.156 0.000 1.403 177 G CA 0.861 45.854 45.100 -0.177 0.000 1.265 177 G HN 0.450 nan 8.290 nan 0.000 0.625 178 R N 0.308 120.691 120.500 -0.195 0.000 2.159 178 R HA 0.189 4.529 4.340 -0.000 0.000 0.237 178 R C 2.620 178.827 176.300 -0.155 0.000 1.131 178 R CA 1.185 57.212 56.100 -0.122 0.000 0.982 178 R CB -0.530 29.697 30.300 -0.121 0.000 0.868 178 R HN 0.415 nan 8.270 nan 0.000 0.453 179 V N 0.412 120.134 119.914 -0.319 0.000 2.407 179 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 179 V C 1.754 177.693 176.094 -0.258 0.000 1.055 179 V CA 1.729 63.813 62.300 -0.360 0.000 1.049 179 V CB -0.424 31.043 31.823 -0.593 0.000 0.662 179 V HN 0.243 nan 8.190 nan 0.000 0.455 180 F N 0.730 120.640 119.950 -0.068 0.000 2.091 180 F HA -0.201 4.326 4.527 -0.000 0.000 0.299 180 F C 2.472 178.295 175.800 0.039 0.000 1.103 180 F CA 1.416 59.411 58.000 -0.008 0.000 1.228 180 F CB -1.105 37.921 39.000 0.043 0.000 0.984 180 F HN 0.281 nan 8.300 nan 0.000 0.477 181 G N -0.330 108.611 108.800 0.235 0.000 2.505 181 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.220 181 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.220 181 G C 1.718 176.717 174.900 0.164 0.000 1.145 181 G CA 1.098 46.324 45.100 0.211 0.000 0.761 181 G HN 0.490 nan 8.290 nan 0.000 0.571 182 A N 0.195 123.063 122.820 0.080 0.000 1.997 182 A HA 0.631 4.951 4.320 -0.000 0.000 0.212 182 A C 2.622 180.230 177.584 0.040 0.000 1.178 182 A CA 1.482 53.552 52.037 0.055 0.000 0.698 182 A CB -0.294 18.713 19.000 0.012 0.000 0.842 182 A HN 0.701 nan 8.150 nan 0.000 0.458 183 A N -1.214 121.621 122.820 0.024 0.000 2.016 183 A HA 0.318 4.638 4.320 -0.000 0.000 0.217 183 A C 1.205 178.806 177.584 0.028 0.000 1.162 183 A CA 1.605 53.636 52.037 -0.010 0.000 0.662 183 A CB -0.113 18.827 19.000 -0.100 0.000 0.812 183 A HN 0.984 nan 8.150 nan 0.000 0.450 184 V N 0.250 120.212 119.914 0.080 0.000 2.886 184 V HA 0.217 4.337 4.120 -0.000 0.000 0.368 184 V C -2.309 173.800 176.094 0.026 0.000 1.313 184 V CA -1.442 60.889 62.300 0.052 0.000 1.491 184 V CB 0.604 32.493 31.823 0.111 0.000 1.345 184 V HN 0.174 nan 8.190 nan 0.000 0.646 185 P HA -0.219 nan 4.420 nan 0.000 0.238 185 P C 0.554 177.817 177.300 -0.063 0.000 0.911 185 P CA 1.472 64.566 63.100 -0.011 0.000 1.085 185 P CB 0.324 32.003 31.700 -0.035 0.000 0.698 189 D N 0.407 120.877 120.400 0.117 0.000 2.350 189 D HA 0.523 5.163 4.640 -0.000 0.000 0.213 189 D C 0.150 176.462 176.300 0.020 0.000 1.031 189 D CA 0.421 54.444 54.000 0.039 0.000 0.861 189 D CB 0.714 41.516 40.800 0.004 0.000 0.926 189 D HN 0.662 nan 8.370 nan 0.000 0.520 190 A N 0.025 122.870 122.820 0.041 0.000 2.547 190 A HA 0.672 4.992 4.320 -0.000 0.000 0.297 190 A C -1.543 176.010 177.584 -0.052 0.000 1.056 190 A CA -0.812 51.204 52.037 -0.035 0.000 0.688 190 A CB 1.228 20.138 19.000 -0.150 0.000 1.282 190 A HN 0.163 nan 8.150 nan 0.000 0.400 191 I N 1.290 121.822 120.570 -0.064 0.000 2.686 191 I HA 0.447 4.617 4.170 -0.000 0.000 0.295 191 I C -1.006 175.066 176.117 -0.074 0.000 1.114 191 I CA -0.527 60.699 61.300 -0.123 0.000 1.038 191 I CB 2.289 40.229 38.000 -0.101 0.000 1.238 191 I HN 0.615 nan 8.210 nan 0.000 0.420 192 L N 6.719 127.885 121.223 -0.095 0.000 2.318 192 L HA 0.473 4.813 4.340 -0.000 0.000 0.277 192 L C -1.381 175.456 176.870 -0.055 0.000 1.008 192 L CA -0.737 54.071 54.840 -0.053 0.000 0.846 192 L CB 1.109 43.145 42.059 -0.038 0.000 1.220 192 L HN 0.431 nan 8.230 nan 0.000 0.423 193 L N 4.924 126.123 121.223 -0.039 0.000 2.321 193 L HA 0.408 4.748 4.340 -0.000 0.000 0.272 193 L C -0.656 176.101 176.870 -0.188 0.000 1.050 193 L CA -0.123 54.680 54.840 -0.062 0.000 0.893 193 L CB 0.757 42.835 42.059 0.033 0.000 1.272 193 L HN 0.491 nan 8.230 nan 0.000 0.435 194 D N 4.259 124.565 120.400 -0.158 0.000 2.468 194 D HA 0.432 5.072 4.640 -0.000 0.000 0.218 194 D C -0.108 176.055 176.300 -0.229 0.000 1.155 194 D CA -0.111 53.762 54.000 -0.211 0.000 0.924 194 D CB 0.958 41.714 40.800 -0.073 0.000 1.029 194 D HN 0.645 nan 8.370 nan 0.000 0.515 195 A N 4.602 127.190 122.820 -0.386 0.000 2.450 195 A HA 0.450 4.770 4.320 -0.000 0.000 0.255 195 A C -2.134 175.350 177.584 -0.168 0.000 1.096 195 A CA -1.180 50.703 52.037 -0.257 0.000 0.778 195 A CB 0.074 18.898 19.000 -0.293 0.000 1.031 195 A HN 0.466 nan 8.150 nan 0.000 0.494 196 P HA 0.156 nan 4.420 nan 0.000 0.261 196 P C 0.084 177.349 177.300 -0.058 0.000 1.183 196 P CA 0.156 63.228 63.100 -0.047 0.000 0.761 196 P CB 0.058 31.755 31.700 -0.004 0.000 0.785 197 C N 0.536 119.801 119.300 -0.058 0.000 3.312 197 C HA 0.592 5.052 4.460 -0.000 0.000 0.368 197 C C 1.531 176.507 174.990 -0.024 0.000 2.465 197 C CA 0.083 59.067 59.018 -0.057 0.000 1.359 197 C CB 1.046 28.728 27.740 -0.097 0.000 2.896 197 C HN 0.459 nan 8.230 nan 0.000 0.470 198 S N -0.405 115.295 115.700 0.000 0.000 2.575 198 S HA 0.422 4.892 4.470 -0.000 0.000 0.215 198 S C 1.397 176.058 174.600 0.103 0.000 0.966 198 S CA 0.823 59.057 58.200 0.057 0.000 0.911 198 S CB -0.653 62.597 63.200 0.084 0.000 0.780 198 S HN 2.714 nan 8.310 nan 0.000 0.514 199 G N 2.079 110.909 108.800 0.051 0.000 2.321 199 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.287 199 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.287 199 G C 0.496 175.438 174.900 0.069 0.000 1.018 199 G CA 0.636 45.766 45.100 0.049 0.000 0.855 199 G HN 0.640 nan 8.290 nan 0.000 0.507 200 E N -0.643 119.615 120.200 0.096 0.000 2.204 200 E HA -0.004 4.345 4.350 -0.000 0.000 0.194 200 E C 2.593 179.266 176.600 0.120 0.000 0.989 200 E CA 0.707 57.166 56.400 0.098 0.000 0.824 200 E CB -0.134 29.714 29.700 0.246 0.000 0.756 200 E HN 0.536 nan 8.360 nan 0.000 0.477 201 G N 0.806 109.676 108.800 0.116 0.000 2.650 201 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.214 201 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.214 201 G C 1.351 176.334 174.900 0.139 0.000 1.136 201 G CA 0.083 45.272 45.100 0.148 0.000 0.789 201 G HN 0.104 nan 8.290 nan 0.000 0.536 202 V N 1.813 121.792 119.914 0.108 0.000 3.421 202 V HA 0.006 4.126 4.120 -0.000 0.000 0.316 202 V C 2.327 178.469 176.094 0.080 0.000 1.347 202 V CA 0.527 62.890 62.300 0.105 0.000 1.183 202 V CB 0.313 32.200 31.823 0.107 0.000 1.092 202 V HN 0.307 nan 8.190 nan 0.000 0.433 203 V N -1.331 118.621 119.914 0.064 0.000 2.913 203 V HA -0.137 3.982 4.120 -0.000 0.000 0.260 203 V C 2.308 178.445 176.094 0.072 0.000 1.098 203 V CA 1.373 63.713 62.300 0.066 0.000 1.121 203 V CB -1.059 30.809 31.823 0.075 0.000 0.714 203 V HN 0.503 nan 8.190 nan 0.000 0.487 204 R N 0.783 121.320 120.500 0.063 0.000 2.115 204 R HA -0.045 4.295 4.340 -0.000 0.000 0.226 204 R C 2.388 178.726 176.300 0.063 0.000 1.100 204 R CA 1.572 57.707 56.100 0.058 0.000 0.980 204 R CB -0.257 30.077 30.300 0.055 0.000 0.875 204 R HN 0.558 nan 8.270 nan 0.000 0.445 205 K N 0.424 120.867 120.400 0.073 0.000 2.186 205 K HA -0.068 4.251 4.320 -0.000 0.000 0.202 205 K C -0.184 176.451 176.600 0.059 0.000 1.052 205 K CA 0.909 57.236 56.287 0.068 0.000 0.965 205 K CB 0.432 32.979 32.500 0.079 0.000 0.746 205 K HN -0.107 nan 8.250 nan 0.000 0.457 206 D N -0.291 120.146 120.400 0.062 0.000 2.421 206 D HA 0.214 4.854 4.640 -0.000 0.000 0.254 206 D C -2.352 173.987 176.300 0.064 0.000 1.238 206 D CA -2.517 51.517 54.000 0.057 0.000 0.919 206 D CB 1.855 42.689 40.800 0.058 0.000 1.152 206 D HN -0.137 nan 8.370 nan 0.000 0.552 207 P HA 0.050 nan 4.420 nan 0.000 0.231 207 P C -0.042 177.307 177.300 0.080 0.000 1.158 207 P CA 0.715 63.855 63.100 0.067 0.000 0.763 207 P CB 0.417 32.142 31.700 0.040 0.000 0.805 208 D N -2.018 118.429 120.400 0.078 0.000 2.503 208 D HA 0.212 4.852 4.640 -0.000 0.000 0.218 208 D C 1.658 178.022 176.300 0.108 0.000 1.183 208 D CA -0.013 54.050 54.000 0.106 0.000 0.827 208 D CB 0.078 40.910 40.800 0.054 0.000 1.034 208 D HN -0.069 nan 8.370 nan 0.000 0.510 209 A N 1.694 124.564 122.820 0.084 0.000 1.887 209 A HA -0.311 4.009 4.320 -0.000 0.000 0.225 209 A C 2.081 179.715 177.584 0.082 0.000 1.464 209 A CA 2.542 54.621 52.037 0.071 0.000 0.717 209 A CB -0.984 18.051 19.000 0.059 0.000 0.848 209 A HN 0.327 nan 8.150 nan 0.000 0.477 210 L N -2.826 118.438 121.223 0.069 0.000 2.072 210 L HA 0.139 4.479 4.340 -0.000 0.000 0.205 210 L C 1.928 178.905 176.870 0.179 0.000 1.079 210 L CA 2.235 57.133 54.840 0.096 0.000 0.752 210 L CB -1.063 40.957 42.059 -0.064 0.000 0.906 210 L HN 0.341 nan 8.230 nan 0.000 0.436 211 K N 0.721 121.255 120.400 0.223 0.000 3.046 211 K HA -0.391 3.929 4.320 -0.000 0.000 0.195 211 K C 1.537 178.299 176.600 0.269 0.000 0.864 211 K CA 2.427 58.913 56.287 0.333 0.000 0.820 211 K CB -0.884 31.733 32.500 0.195 0.000 1.598 211 K HN 0.640 nan 8.250 nan 0.000 0.561 212 N N -0.582 118.235 118.700 0.196 0.000 2.410 212 N HA -0.024 4.715 4.740 -0.000 0.000 0.231 212 N C -0.957 174.670 175.510 0.195 0.000 1.172 212 N CA -0.288 52.858 53.050 0.160 0.000 0.849 212 N CB 0.062 38.604 38.487 0.091 0.000 1.116 212 N HN 0.255 nan 8.380 nan 0.000 0.485 213 W N 1.408 122.732 121.300 0.039 0.000 2.315 213 W HA 0.284 4.944 4.660 -0.000 0.000 0.316 213 W C -0.302 176.243 176.519 0.043 0.000 1.211 213 W CA -0.105 57.251 57.345 0.018 0.000 1.201 213 W CB 0.854 30.290 29.460 -0.040 0.000 1.184 213 W HN -0.107 nan 8.180 nan 0.000 0.544 214 S N 5.757 121.122 115.700 -0.558 0.000 2.542 214 S HA 0.351 4.820 4.470 -0.000 0.000 0.276 214 S C -2.315 171.796 174.600 -0.816 0.000 1.148 214 S CA -1.227 56.650 58.200 -0.539 0.000 0.886 214 S CB 1.762 64.874 63.200 -0.146 0.000 1.109 214 S HN 0.310 nan 8.310 nan 0.000 0.458 215 P HA -0.094 nan 4.420 nan 0.000 0.218 215 P C 1.350 178.492 177.300 -0.262 0.000 1.148 215 P CA 1.094 63.947 63.100 -0.410 0.000 0.822 215 P CB 0.128 31.735 31.700 -0.154 0.000 0.784 216 E N -0.090 119.991 120.200 -0.198 0.000 2.015 216 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 216 E C 2.122 178.628 176.600 -0.157 0.000 0.991 216 E CA 1.728 58.046 56.400 -0.137 0.000 0.802 216 E CB -0.737 28.910 29.700 -0.089 0.000 0.759 216 E HN 0.086 nan 8.360 nan 0.000 0.447 217 S N 0.049 115.640 115.700 -0.183 0.000 2.423 217 S HA -0.217 4.253 4.470 -0.000 0.000 0.238 217 S C 1.612 176.086 174.600 -0.210 0.000 1.028 217 S CA 1.911 60.005 58.200 -0.177 0.000 1.000 217 S CB -0.558 62.535 63.200 -0.179 0.000 0.797 217 S HN 0.403 nan 8.310 nan 0.000 0.487 218 N N -0.597 117.931 118.700 -0.287 0.000 2.290 218 N HA 0.023 4.763 4.740 -0.000 0.000 0.179 218 N C 1.994 177.400 175.510 -0.174 0.000 1.016 218 N CA 0.736 53.632 53.050 -0.257 0.000 0.871 218 N CB -0.055 38.230 38.487 -0.338 0.000 0.987 218 N HN 0.294 nan 8.380 nan 0.000 0.431 219 Q N 1.171 120.875 119.800 -0.160 0.000 2.135 219 Q HA -0.222 4.118 4.340 -0.000 0.000 0.204 219 Q C 1.783 177.709 176.000 -0.124 0.000 0.981 219 Q CA 1.493 57.219 55.803 -0.129 0.000 0.856 219 Q CB -0.254 28.419 28.738 -0.108 0.000 0.902 219 Q HN 0.657 nan 8.270 nan 0.000 0.425 220 E N -0.183 119.949 120.200 -0.114 0.000 2.112 220 E HA -0.080 4.270 4.350 -0.000 0.000 0.190 220 E C 2.022 178.564 176.600 -0.097 0.000 0.979 220 E CA 0.545 56.886 56.400 -0.098 0.000 0.814 220 E CB -0.399 29.254 29.700 -0.077 0.000 0.762 220 E HN 0.267 nan 8.360 nan 0.000 0.460 221 I N 1.607 122.118 120.570 -0.100 0.000 2.208 221 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 221 I C 2.630 178.690 176.117 -0.095 0.000 1.097 221 I CA 1.309 62.558 61.300 -0.086 0.000 1.363 221 I CB -0.312 37.636 38.000 -0.088 0.000 1.051 221 I HN 0.327 nan 8.210 nan 0.000 0.413 222 A N 0.463 123.211 122.820 -0.120 0.000 1.930 222 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 222 A C 2.534 179.996 177.584 -0.204 0.000 1.175 222 A CA 1.657 53.604 52.037 -0.150 0.000 0.627 222 A CB -0.788 18.115 19.000 -0.161 0.000 0.815 222 A HN 0.438 nan 8.150 nan 0.000 0.443 223 A N -0.911 121.795 122.820 -0.190 0.000 1.883 223 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 223 A C 2.316 179.790 177.584 -0.183 0.000 1.186 223 A CA 2.446 54.357 52.037 -0.209 0.000 0.624 223 A CB -1.386 17.525 19.000 -0.148 0.000 0.822 223 A HN 0.415 nan 8.150 nan 0.000 0.444 224 T N 0.266 114.747 114.554 -0.121 0.000 2.720 224 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 224 T C 2.044 176.701 174.700 -0.072 0.000 1.037 224 T CA 1.769 63.819 62.100 -0.082 0.000 1.144 224 T CB -0.300 68.536 68.868 -0.053 0.000 0.864 224 T HN 0.665 nan 8.240 nan 0.000 0.444 225 Q N 0.314 120.070 119.800 -0.074 0.000 2.167 225 Q HA -0.037 4.303 4.340 -0.000 0.000 0.202 225 Q C 2.541 178.510 176.000 -0.050 0.000 0.970 225 Q CA 0.907 56.712 55.803 0.003 0.000 0.855 225 Q CB -0.172 28.600 28.738 0.057 0.000 0.911 225 Q HN 0.320 nan 8.270 nan 0.000 0.438 226 R N 1.555 121.891 120.500 -0.273 0.000 2.103 226 R HA -0.177 4.163 4.340 -0.000 0.000 0.234 226 R C 2.241 178.443 176.300 -0.165 0.000 1.132 226 R CA 2.052 57.812 56.100 -0.566 0.000 0.925 226 R CB -0.281 29.370 30.300 -1.082 0.000 0.842 226 R HN 0.474 nan 8.270 nan 0.000 0.430 227 E N 0.372 120.506 120.200 -0.109 0.000 2.268 227 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 227 E C 2.016 178.659 176.600 0.071 0.000 0.995 227 E CA 0.925 57.341 56.400 0.027 0.000 0.836 227 E CB -0.319 29.378 29.700 -0.006 0.000 0.763 227 E HN 0.340 nan 8.360 nan 0.000 0.491 228 L N 0.816 122.073 121.223 0.056 0.000 2.017 228 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 228 L C 2.663 179.642 176.870 0.181 0.000 1.073 228 L CA 1.190 56.087 54.840 0.095 0.000 0.745 228 L CB -0.169 41.936 42.059 0.077 0.000 0.894 228 L HN 0.199 nan 8.230 nan 0.000 0.432 229 I N -0.888 119.824 120.570 0.236 0.000 2.617 229 I HA -0.251 3.919 4.170 -0.000 0.000 0.256 229 I C 2.171 178.506 176.117 0.363 0.000 1.167 229 I CA 1.005 62.488 61.300 0.306 0.000 1.469 229 I CB -0.116 38.066 38.000 0.303 0.000 1.098 229 I HN 0.385 nan 8.210 nan 0.000 0.436 230 D N -0.063 120.584 120.400 0.412 0.000 2.084 230 D HA -0.208 4.432 4.640 -0.000 0.000 0.196 230 D C 2.164 178.668 176.300 0.339 0.000 0.985 230 D CA 1.533 55.809 54.000 0.460 0.000 0.826 230 D CB 0.147 41.230 40.800 0.471 0.000 0.978 230 D HN 0.236 nan 8.370 nan 0.000 0.456 231 S N -0.184 115.645 115.700 0.214 0.000 2.368 231 S HA -0.236 4.234 4.470 -0.000 0.000 0.226 231 S C 2.148 176.911 174.600 0.272 0.000 1.044 231 S CA 2.167 60.477 58.200 0.183 0.000 1.062 231 S CB -0.536 62.743 63.200 0.132 0.000 0.931 231 S HN 0.416 nan 8.310 nan 0.000 0.440 232 A N 0.690 123.670 122.820 0.267 0.000 1.873 232 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 232 A C 2.002 179.758 177.584 0.286 0.000 1.193 232 A CA 2.006 54.188 52.037 0.240 0.000 0.629 232 A CB -1.215 17.913 19.000 0.212 0.000 0.826 232 A HN 0.633 nan 8.150 nan 0.000 0.447 233 F N 0.301 120.339 119.950 0.147 0.000 2.161 233 F HA -0.184 4.342 4.527 -0.000 0.000 0.300 233 F C 2.370 178.181 175.800 0.018 0.000 1.089 233 F CA 1.887 59.924 58.000 0.062 0.000 1.282 233 F CB -0.591 38.420 39.000 0.019 0.000 1.010 233 F HN 0.437 nan 8.300 nan 0.000 0.485 234 H N -1.313 117.759 119.070 0.004 0.000 2.423 234 H HA 0.055 4.611 4.556 -0.000 0.000 0.297 234 H C 1.948 177.238 175.328 -0.064 0.000 1.075 234 H CA 0.996 56.986 56.048 -0.098 0.000 1.342 234 H CB 0.031 29.809 29.762 0.027 0.000 1.395 234 H HN 0.289 nan 8.280 nan 0.000 0.530 235 A N 0.820 123.731 122.820 0.152 0.000 2.275 235 A HA 0.098 4.418 4.320 -0.000 0.000 0.212 235 A C 0.594 178.268 177.584 0.151 0.000 1.201 235 A CA -0.152 51.990 52.037 0.174 0.000 0.843 235 A CB -0.098 19.083 19.000 0.302 0.000 0.873 235 A HN 0.124 nan 8.150 nan 0.000 0.492 236 L N 0.722 121.949 121.223 0.008 0.000 2.264 236 L HA 0.339 4.679 4.340 -0.000 0.000 0.289 236 L C 0.657 177.437 176.870 -0.149 0.000 1.044 236 L CA -0.594 54.231 54.840 -0.024 0.000 0.807 236 L CB 0.619 42.657 42.059 -0.036 0.000 1.192 236 L HN 0.368 nan 8.230 nan 0.000 0.425 237 R N 5.995 126.441 120.500 -0.091 0.000 2.698 237 R HA 0.167 4.507 4.340 -0.000 0.000 0.266 237 R C -2.250 173.968 176.300 -0.138 0.000 1.026 237 R CA -1.097 54.930 56.100 -0.121 0.000 1.102 237 R CB 0.340 30.589 30.300 -0.085 0.000 0.978 237 R HN 0.463 nan 8.270 nan 0.000 0.436 238 P HA 0.020 nan 4.420 nan 0.000 0.265 238 P C 0.225 177.479 177.300 -0.076 0.000 1.193 238 P CA 1.030 64.052 63.100 -0.130 0.000 0.765 238 P CB 0.718 32.347 31.700 -0.118 0.000 0.823 239 G N 1.589 110.359 108.800 -0.051 0.000 2.254 239 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.225 239 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.225 239 G C 0.607 175.501 174.900 -0.011 0.000 1.003 239 G CA -0.152 44.933 45.100 -0.025 0.000 0.622 239 G HN 0.886 nan 8.290 nan 0.000 0.507 240 G N -0.060 108.730 108.800 -0.016 0.000 2.572 240 G HA2 0.570 4.530 3.960 -0.000 0.000 0.261 240 G HA3 0.570 4.530 3.960 -0.000 0.000 0.261 240 G C 0.060 174.976 174.900 0.027 0.000 1.197 240 G CA 0.810 45.909 45.100 -0.002 0.000 0.870 240 G HN 0.712 nan 8.290 nan 0.000 0.548 241 T N -0.095 114.470 114.554 0.017 0.000 2.902 241 T HA 0.497 4.847 4.350 -0.000 0.000 0.283 241 T C -0.602 174.131 174.700 0.055 0.000 1.009 241 T CA -0.329 61.794 62.100 0.040 0.000 1.051 241 T CB 1.719 70.585 68.868 -0.002 0.000 0.999 241 T HN 0.485 nan 8.240 nan 0.000 0.474 242 L N 2.620 123.905 121.223 0.105 0.000 2.385 242 L HA 0.763 5.103 4.340 -0.000 0.000 0.273 242 L C -1.386 175.551 176.870 0.112 0.000 0.990 242 L CA -0.670 54.239 54.840 0.116 0.000 0.821 242 L CB 1.776 43.955 42.059 0.199 0.000 1.279 242 L HN 0.473 nan 8.230 nan 0.000 0.412 243 V N 5.321 125.280 119.914 0.076 0.000 2.384 243 V HA 0.349 4.469 4.120 -0.000 0.000 0.287 243 V C -1.085 175.068 176.094 0.099 0.000 1.020 243 V CA -0.494 61.852 62.300 0.077 0.000 0.850 243 V CB 1.259 33.101 31.823 0.031 0.000 0.987 243 V HN 0.718 nan 8.190 nan 0.000 0.436 244 Y N 4.869 125.165 120.300 -0.006 0.000 2.335 244 Y HA 0.643 5.193 4.550 -0.000 0.000 0.339 244 Y C 0.370 176.253 175.900 -0.028 0.000 0.987 244 Y CA -0.282 57.814 58.100 -0.007 0.000 1.140 244 Y CB 1.491 39.954 38.460 0.005 0.000 1.173 244 Y HN 0.707 nan 8.280 nan 0.000 0.486 245 S N 3.672 119.131 115.700 -0.402 0.000 2.541 245 S HA 0.849 5.319 4.470 -0.000 0.000 0.280 245 S C -0.667 173.589 174.600 -0.572 0.000 1.112 245 S CA -0.401 57.623 58.200 -0.295 0.000 0.925 245 S CB 1.757 64.923 63.200 -0.056 0.000 1.067 245 S HN 0.840 nan 8.310 nan 0.000 0.479 246 T N -2.002 112.235 114.554 -0.529 0.000 2.901 246 T HA 0.495 4.845 4.350 -0.000 0.000 0.293 246 T C 0.086 174.183 174.700 -1.006 0.000 1.084 246 T CA -0.751 60.983 62.100 -0.610 0.000 1.008 246 T CB 1.108 69.788 68.868 -0.313 0.000 1.170 246 T HN 0.668 nan 8.240 nan 0.000 0.509 247 C N 1.630 120.505 119.300 -0.708 0.000 2.559 247 C HA 0.499 4.959 4.460 -0.000 0.000 0.300 247 C C 1.218 176.093 174.990 -0.191 0.000 1.288 247 C CA 0.164 58.891 59.018 -0.485 0.000 1.699 247 C CB -1.937 25.694 27.740 -0.181 0.000 1.819 247 C HN 0.995 nan 8.230 nan 0.000 0.600 248 T N -1.418 113.018 114.554 -0.197 0.000 2.940 248 T HA 0.568 4.918 4.350 -0.000 0.000 0.288 248 T C 0.335 174.979 174.700 -0.093 0.000 1.045 248 T CA -0.393 61.675 62.100 -0.053 0.000 1.018 248 T CB 1.120 69.988 68.868 0.000 0.000 1.151 248 T HN 0.202 nan 8.240 nan 0.000 0.529 249 L N 1.693 122.934 121.223 0.030 0.000 2.817 249 L HA 0.320 4.660 4.340 -0.000 0.000 0.248 249 L C 0.868 177.848 176.870 0.184 0.000 1.133 249 L CA -0.352 54.490 54.840 0.004 0.000 0.935 249 L CB 0.047 42.131 42.059 0.042 0.000 1.266 249 L HN 0.736 nan 8.230 nan 0.000 0.535 250 N N -1.389 117.406 118.700 0.158 0.000 2.327 250 N HA -0.009 4.730 4.740 -0.000 0.000 0.257 250 N C 0.614 176.155 175.510 0.053 0.000 1.281 250 N CA -0.271 52.866 53.050 0.146 0.000 0.942 250 N CB 0.424 39.021 38.487 0.184 0.000 1.199 250 N HN -0.045 nan 8.380 nan 0.000 0.532 251 Q N -0.998 118.815 119.800 0.022 0.000 2.339 251 Q HA -0.037 4.303 4.340 -0.000 0.000 0.205 251 Q C 0.941 176.879 176.000 -0.104 0.000 0.925 251 Q CA 0.666 56.440 55.803 -0.049 0.000 0.898 251 Q CB 0.063 28.790 28.738 -0.018 0.000 1.013 251 Q HN 0.651 nan 8.270 nan 0.000 0.504 252 E N 1.408 121.568 120.200 -0.067 0.000 2.085 252 E HA -0.196 4.153 4.350 -0.000 0.000 0.194 252 E C 1.254 177.774 176.600 -0.133 0.000 0.994 252 E CA 1.250 57.598 56.400 -0.086 0.000 0.801 252 E CB -0.027 29.633 29.700 -0.067 0.000 0.743 252 E HN 0.303 nan 8.360 nan 0.000 0.453 253 E N -0.610 119.508 120.200 -0.135 0.000 2.474 253 E HA 0.062 4.412 4.350 -0.000 0.000 0.194 253 E C 0.834 177.314 176.600 -0.199 0.000 1.041 253 E CA -0.016 56.306 56.400 -0.132 0.000 0.874 253 E CB 0.327 29.977 29.700 -0.084 0.000 0.914 253 E HN 0.139 nan 8.360 nan 0.000 0.498 254 N N -0.199 118.262 118.700 -0.398 0.000 2.994 254 N HA 0.017 4.757 4.740 -0.000 0.000 0.216 254 N C 1.265 176.283 175.510 -0.820 0.000 1.166 254 N CA 0.291 52.821 53.050 -0.866 0.000 1.155 254 N CB -0.271 37.273 38.487 -1.571 0.000 1.489 254 N HN -0.106 nan 8.380 nan 0.000 0.556 255 E N 1.598 121.397 120.200 -0.670 0.000 2.110 255 E HA 0.045 4.395 4.350 -0.000 0.000 0.193 255 E C 1.715 178.242 176.600 -0.123 0.000 0.988 255 E CA 1.232 57.487 56.400 -0.242 0.000 0.804 255 E CB -0.199 29.536 29.700 0.058 0.000 0.745 255 E HN 0.423 nan 8.360 nan 0.000 0.458 256 A N 0.305 123.048 122.820 -0.129 0.000 2.070 256 A HA -0.133 4.187 4.320 -0.000 0.000 0.220 256 A C 2.279 179.836 177.584 -0.045 0.000 1.159 256 A CA 1.184 53.190 52.037 -0.051 0.000 0.656 256 A CB -0.298 18.662 19.000 -0.068 0.000 0.800 256 A HN 0.153 nan 8.150 nan 0.000 0.453 257 V N -1.588 118.218 119.914 -0.180 0.000 2.500 257 V HA -0.191 3.929 4.120 -0.000 0.000 0.243 257 V C 2.518 178.565 176.094 -0.077 0.000 1.039 257 V CA 1.531 63.712 62.300 -0.198 0.000 1.053 257 V CB -1.040 30.534 31.823 -0.416 0.000 0.695 257 V HN 0.664 nan 8.190 nan 0.000 0.463 258 C N 0.116 119.271 119.300 -0.241 0.000 2.432 258 C HA -0.112 4.347 4.460 -0.000 0.000 0.277 258 C C 2.696 177.847 174.990 0.269 0.000 1.249 258 C CA 0.847 59.827 59.018 -0.064 0.000 1.725 258 C CB -1.080 26.425 27.740 -0.392 0.000 2.028 258 C HN 0.507 nan 8.230 nan 0.000 0.477 259 L N -0.754 120.616 121.223 0.245 0.000 2.131 259 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 259 L C 2.453 179.470 176.870 0.246 0.000 1.092 259 L CA 1.739 56.776 54.840 0.328 0.000 0.759 259 L CB -0.479 41.730 42.059 0.250 0.000 0.903 259 L HN 0.619 nan 8.230 nan 0.000 0.435 260 W N 0.573 121.887 121.300 0.024 0.000 2.354 260 W HA -0.269 4.391 4.660 -0.000 0.000 0.315 260 W C 2.297 178.805 176.519 -0.018 0.000 1.206 260 W CA 1.443 58.779 57.345 -0.015 0.000 1.290 260 W CB -0.363 29.069 29.460 -0.047 0.000 1.152 260 W HN 0.025 nan 8.180 nan 0.000 0.489 261 L N 1.989 123.231 121.223 0.031 0.000 2.013 261 L HA -0.242 4.097 4.340 -0.000 0.000 0.212 261 L C 2.546 179.244 176.870 -0.287 0.000 1.073 261 L CA 2.783 57.459 54.840 -0.274 0.000 0.753 261 L CB -1.174 40.869 42.059 -0.027 0.000 0.890 261 L HN 0.100 nan 8.230 nan 0.000 0.432 262 K N -0.583 119.738 120.400 -0.132 0.000 2.097 262 K HA -0.199 4.121 4.320 -0.000 0.000 0.206 262 K C 1.987 178.477 176.600 -0.184 0.000 1.049 262 K CA 1.667 57.854 56.287 -0.168 0.000 0.933 262 K CB -0.076 32.344 32.500 -0.134 0.000 0.717 262 K HN 0.425 nan 8.250 nan 0.000 0.442 263 E N -0.896 119.176 120.200 -0.213 0.000 2.204 263 E HA -0.095 4.255 4.350 -0.000 0.000 0.194 263 E C 1.485 177.859 176.600 -0.376 0.000 0.989 263 E CA 1.523 57.783 56.400 -0.234 0.000 0.824 263 E CB 0.207 29.806 29.700 -0.168 0.000 0.756 263 E HN 0.307 nan 8.360 nan 0.000 0.477 264 T N -0.732 113.439 114.554 -0.639 0.000 2.985 264 T HA -0.057 4.293 4.350 -0.000 0.000 0.266 264 T C -0.038 174.112 174.700 -0.916 0.000 1.076 264 T CA 0.874 62.425 62.100 -0.914 0.000 1.135 264 T CB 0.025 68.033 68.868 -1.433 0.000 0.890 264 T HN 0.167 nan 8.240 nan 0.000 0.480 265 Y N 0.433 120.605 120.300 -0.214 0.000 2.497 265 Y HA 0.274 4.824 4.550 -0.000 0.000 0.333 265 Y C -2.021 173.814 175.900 -0.108 0.000 1.046 265 Y CA -2.251 55.793 58.100 -0.093 0.000 1.160 265 Y CB 1.141 39.608 38.460 0.012 0.000 1.123 265 Y HN 0.017 nan 8.280 nan 0.000 0.638 266 P HA -0.149 nan 4.420 nan 0.000 0.216 266 P C 0.297 177.580 177.300 -0.029 0.000 1.150 266 P CA 1.647 64.716 63.100 -0.052 0.000 0.837 266 P CB 0.508 32.171 31.700 -0.062 0.000 0.786 267 D N -0.852 119.555 120.400 0.010 0.000 2.339 267 D HA 0.162 4.802 4.640 -0.000 0.000 0.217 267 D C 1.546 177.861 176.300 0.026 0.000 1.050 267 D CA 0.317 54.321 54.000 0.006 0.000 0.856 267 D CB 0.019 40.823 40.800 0.007 0.000 0.922 267 D HN 0.200 nan 8.370 nan 0.000 0.518 268 A N 0.032 122.895 122.820 0.072 0.000 2.288 268 A HA 0.265 4.585 4.320 -0.000 0.000 0.216 268 A C 0.696 178.374 177.584 0.157 0.000 1.199 268 A CA 0.045 52.156 52.037 0.124 0.000 0.891 268 A CB 0.803 19.926 19.000 0.205 0.000 0.923 268 A HN 0.044 nan 8.150 nan 0.000 0.500 269 V N 0.827 120.753 119.914 0.020 0.000 2.448 269 V HA 0.442 4.562 4.120 -0.000 0.000 0.295 269 V C -0.589 175.370 176.094 -0.225 0.000 1.025 269 V CA -0.585 61.654 62.300 -0.102 0.000 0.859 269 V CB 1.501 33.146 31.823 -0.297 0.000 0.988 269 V HN 0.481 nan 8.190 nan 0.000 0.431 270 E N 4.084 124.191 120.200 -0.154 0.000 2.191 270 E HA 0.513 4.863 4.350 -0.000 0.000 0.263 270 E C -1.302 175.257 176.600 -0.070 0.000 0.881 270 E CA -0.583 55.722 56.400 -0.157 0.000 0.757 270 E CB 1.193 30.873 29.700 -0.033 0.000 1.147 270 E HN 0.546 nan 8.360 nan 0.000 0.414 271 F N 3.872 123.864 119.950 0.070 0.000 2.429 271 F HA 0.278 4.805 4.527 -0.000 0.000 0.348 271 F C 0.341 176.174 175.800 0.055 0.000 1.109 271 F CA -0.723 57.337 58.000 0.100 0.000 1.232 271 F CB 0.775 39.828 39.000 0.089 0.000 1.157 271 F HN 0.295 nan 8.300 nan 0.000 0.564 272 L N 5.262 126.658 121.223 0.288 0.000 2.384 272 L HA 0.359 4.699 4.340 -0.000 0.000 0.261 272 L C -2.373 174.564 176.870 0.111 0.000 1.024 272 L CA -2.068 52.864 54.840 0.152 0.000 0.899 272 L CB 1.185 43.319 42.059 0.125 0.000 1.243 272 L HN 0.314 nan 8.230 nan 0.000 0.449 273 P HA -0.038 nan 4.420 nan 0.000 0.264 273 P C 0.364 177.677 177.300 0.021 0.000 1.179 273 P CA 0.307 63.416 63.100 0.016 0.000 0.763 273 P CB 0.688 32.385 31.700 -0.005 0.000 0.806 274 L N 1.864 123.091 121.223 0.007 0.000 2.728 274 L HA 0.192 4.532 4.340 -0.000 0.000 0.238 274 L C 2.227 179.081 176.870 -0.027 0.000 1.143 274 L CA 0.400 55.247 54.840 0.012 0.000 0.937 274 L CB -0.346 41.727 42.059 0.023 0.000 1.225 274 L HN 0.532 nan 8.230 nan 0.000 0.507 275 G N -0.149 108.625 108.800 -0.043 0.000 2.479 275 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.220 275 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.220 275 G C 0.712 175.546 174.900 -0.110 0.000 1.115 275 G CA 0.845 45.897 45.100 -0.080 0.000 0.757 275 G HN 0.362 nan 8.290 nan 0.000 0.560 276 D N -0.813 119.549 120.400 -0.064 0.000 2.363 276 D HA 0.150 4.790 4.640 -0.000 0.000 0.214 276 D C 1.910 178.195 176.300 -0.026 0.000 1.093 276 D CA -0.452 53.518 54.000 -0.049 0.000 0.837 276 D CB 0.461 41.255 40.800 -0.010 0.000 0.948 276 D HN 0.144 nan 8.370 nan 0.000 0.507 277 L N 0.589 121.794 121.223 -0.029 0.000 2.042 277 L HA 0.017 4.357 4.340 -0.000 0.000 0.210 277 L C 0.066 177.090 176.870 0.257 0.000 1.076 277 L CA 1.572 56.481 54.840 0.115 0.000 0.749 277 L CB -0.250 41.916 42.059 0.179 0.000 0.893 277 L HN 0.078 nan 8.230 nan 0.000 0.432 278 F N -4.469 115.522 119.950 0.068 0.000 2.711 278 F HA 0.685 5.212 4.527 -0.000 0.000 0.313 278 F C -2.846 172.992 175.800 0.062 0.000 1.141 278 F CA -2.791 55.247 58.000 0.064 0.000 0.941 278 F CB -0.413 38.641 39.000 0.091 0.000 1.349 278 F HN -0.382 nan 8.300 nan 0.000 0.464 279 P HA 0.410 nan 4.420 nan 0.000 0.276 279 P C 0.535 177.919 177.300 0.141 0.000 1.253 279 P CA 0.866 64.015 63.100 0.082 0.000 0.766 279 P CB 0.952 32.719 31.700 0.112 0.000 0.845 280 G N 2.950 111.751 108.800 0.003 0.000 2.231 280 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.206 280 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.206 280 G C 1.172 176.080 174.900 0.014 0.000 0.996 280 G CA 0.304 45.500 45.100 0.160 0.000 0.645 280 G HN 0.603 nan 8.290 nan 0.000 0.498 281 A N 0.965 123.351 122.820 -0.724 0.000 1.948 281 A HA -0.107 4.212 4.320 -0.000 0.000 0.220 281 A C 2.083 179.569 177.584 -0.163 0.000 1.177 281 A CA 2.488 54.018 52.037 -0.846 0.000 0.636 281 A CB -0.615 17.716 19.000 -1.115 0.000 0.815 281 A HN 0.535 nan 8.150 nan 0.000 0.449 282 N N 0.406 119.038 118.700 -0.114 0.000 2.091 282 N HA -0.181 4.559 4.740 -0.000 0.000 0.193 282 N C 1.514 177.048 175.510 0.041 0.000 1.021 282 N CA 1.604 54.640 53.050 -0.023 0.000 0.862 282 N CB -0.270 38.206 38.487 -0.019 0.000 1.018 282 N HN 0.472 nan 8.380 nan 0.000 0.429 283 K N 0.120 120.574 120.400 0.090 0.000 2.228 283 K HA -0.076 4.244 4.320 -0.000 0.000 0.205 283 K C 1.288 177.939 176.600 0.085 0.000 1.045 283 K CA 1.277 57.614 56.287 0.082 0.000 0.931 283 K CB -0.173 32.374 32.500 0.079 0.000 0.727 283 K HN 0.276 nan 8.250 nan 0.000 0.458 284 A N 0.505 123.414 122.820 0.148 0.000 2.390 284 A HA 0.128 4.448 4.320 -0.000 0.000 0.232 284 A C 0.459 178.141 177.584 0.162 0.000 1.233 284 A CA -0.429 51.720 52.037 0.187 0.000 0.907 284 A CB 0.197 19.368 19.000 0.286 0.000 0.967 284 A HN 0.114 nan 8.150 nan 0.000 0.512 285 L N 2.530 123.810 121.223 0.096 0.000 2.410 285 L HA 0.332 4.671 4.340 -0.000 0.000 0.273 285 L C 0.788 177.691 176.870 0.055 0.000 1.144 285 L CA 0.705 55.576 54.840 0.052 0.000 0.863 285 L CB 0.522 42.584 42.059 0.005 0.000 1.140 285 L HN 0.378 nan 8.230 nan 0.000 0.463 286 T N 0.797 115.379 114.554 0.045 0.000 2.934 286 T HA 0.305 4.654 4.350 -0.000 0.000 0.283 286 T C 0.846 175.487 174.700 -0.098 0.000 1.005 286 T CA -0.757 61.355 62.100 0.021 0.000 1.041 286 T CB 0.916 69.851 68.868 0.111 0.000 1.042 286 T HN 0.609 nan 8.240 nan 0.000 0.505 287 E N 0.810 120.960 120.200 -0.084 0.000 2.393 287 E HA -0.161 4.189 4.350 -0.000 0.000 0.201 287 E C 1.194 177.683 176.600 -0.184 0.000 1.025 287 E CA 1.189 57.530 56.400 -0.099 0.000 0.856 287 E CB -0.003 29.664 29.700 -0.054 0.000 0.771 287 E HN 0.790 nan 8.360 nan 0.000 0.526 288 E N -0.906 119.053 120.200 -0.402 0.000 2.364 288 E HA 0.159 4.509 4.350 -0.000 0.000 0.196 288 E C 1.215 177.420 176.600 -0.659 0.000 0.990 288 E CA 0.612 56.626 56.400 -0.644 0.000 0.886 288 E CB 0.741 29.623 29.700 -1.364 0.000 0.866 288 E HN 0.268 nan 8.360 nan 0.000 0.493 289 G N 0.189 108.661 108.800 -0.547 0.000 2.154 289 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.186 289 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.186 289 G C -0.245 174.556 174.900 -0.164 0.000 1.000 289 G CA -0.507 44.430 45.100 -0.271 0.000 0.664 289 G HN 0.072 nan 8.290 nan 0.000 0.513 290 F N 0.498 120.374 119.950 -0.123 0.000 2.380 290 F HA 0.702 5.229 4.527 -0.000 0.000 0.325 290 F C 1.064 176.762 175.800 -0.170 0.000 1.136 290 F CA -1.506 56.346 58.000 -0.247 0.000 1.171 290 F CB 0.617 39.428 39.000 -0.314 0.000 1.230 290 F HN -0.073 nan 8.300 nan 0.000 0.554 291 L N 1.908 123.094 121.223 -0.062 0.000 2.262 291 L HA 0.303 4.643 4.340 -0.000 0.000 0.288 291 L C -0.650 176.204 176.870 -0.028 0.000 1.035 291 L CA -0.411 54.428 54.840 -0.002 0.000 0.820 291 L CB 0.644 42.701 42.059 -0.002 0.000 1.204 291 L HN 0.626 nan 8.230 nan 0.000 0.424 292 H N 3.045 122.181 119.070 0.110 0.000 2.702 292 H HA 0.335 4.891 4.556 -0.000 0.000 0.252 292 H C -0.765 174.600 175.328 0.061 0.000 1.493 292 H CA -0.581 55.581 56.048 0.189 0.000 1.273 292 H CB 0.586 30.534 29.762 0.309 0.000 1.537 292 H HN 0.326 nan 8.280 nan 0.000 0.547 293 V N 6.163 126.123 119.914 0.077 0.000 2.370 293 V HA 0.047 4.167 4.120 -0.000 0.000 0.257 293 V C 0.146 176.272 176.094 0.053 0.000 1.064 293 V CA -0.138 62.247 62.300 0.142 0.000 0.975 293 V CB -0.973 30.963 31.823 0.188 0.000 1.067 293 V HN 0.544 nan 8.190 nan 0.000 0.485 294 F N 7.541 127.609 119.950 0.197 0.000 2.418 294 F HA 0.277 4.804 4.527 -0.000 0.000 0.341 294 F C -0.527 175.395 175.800 0.203 0.000 1.120 294 F CA -1.688 56.428 58.000 0.194 0.000 1.232 294 F CB 0.681 39.724 39.000 0.071 0.000 1.175 294 F HN 0.338 nan 8.300 nan 0.000 0.569 295 P HA -0.222 nan 4.420 nan 0.000 0.216 295 P C 0.620 178.047 177.300 0.213 0.000 1.150 295 P CA 1.657 64.927 63.100 0.284 0.000 0.837 295 P CB 0.005 31.834 31.700 0.214 0.000 0.786 296 Q N -1.093 118.833 119.800 0.211 0.000 2.451 296 Q HA 0.084 4.423 4.340 -0.000 0.000 0.206 296 Q C 2.074 178.111 176.000 0.063 0.000 0.947 296 Q CA 0.593 56.461 55.803 0.108 0.000 0.937 296 Q CB -1.129 27.665 28.738 0.092 0.000 1.025 296 Q HN 0.229 nan 8.270 nan 0.000 0.511 297 I N -0.449 120.147 120.570 0.044 0.000 2.133 297 I HA -0.229 3.940 4.170 -0.000 0.000 0.238 297 I C 0.996 177.000 176.117 -0.190 0.000 1.074 297 I CA 1.410 62.613 61.300 -0.162 0.000 1.342 297 I CB 0.003 37.798 38.000 -0.342 0.000 1.053 297 I HN 0.226 nan 8.210 nan 0.000 0.404 298 Y N -0.448 120.003 120.300 0.252 0.000 2.636 298 Y HA 0.203 4.753 4.550 -0.000 0.000 0.260 298 Y C -0.165 175.796 175.900 0.102 0.000 1.177 298 Y CA -0.699 57.554 58.100 0.256 0.000 1.209 298 Y CB 0.287 39.046 38.460 0.499 0.000 1.166 298 Y HN 0.072 nan 8.280 nan 0.000 0.531 299 D N 1.358 121.839 120.400 0.136 0.000 3.437 299 D HA -0.176 4.464 4.640 -0.000 0.000 0.243 299 D C -0.427 175.893 176.300 0.034 0.000 1.104 299 D CA 0.936 54.928 54.000 -0.013 0.000 1.009 299 D CB -0.972 39.704 40.800 -0.207 0.000 0.937 299 D HN 0.537 nan 8.370 nan 0.000 0.417 300 C N 0.023 119.432 119.300 0.181 0.000 3.280 300 C HA 0.647 5.107 4.460 -0.000 0.000 0.348 300 C C -0.006 175.123 174.990 0.232 0.000 2.120 300 C CA -0.813 58.363 59.018 0.263 0.000 1.109 300 C CB 0.110 28.147 27.740 0.495 0.000 2.410 300 C HN 0.353 nan 8.230 nan 0.000 0.399 301 E N 1.133 121.480 120.200 0.246 0.000 2.391 301 E HA 0.485 4.834 4.350 -0.000 0.000 0.255 301 E C 0.365 177.121 176.600 0.260 0.000 1.187 301 E CA 0.548 57.083 56.400 0.224 0.000 0.941 301 E CB 0.200 30.034 29.700 0.223 0.000 1.010 301 E HN 1.001 nan 8.360 nan 0.000 0.458 302 G N 0.236 109.193 108.800 0.262 0.000 2.332 302 G HA2 0.541 4.501 3.960 -0.000 0.000 0.310 302 G HA3 0.541 4.501 3.960 -0.000 0.000 0.310 302 G C -1.330 173.731 174.900 0.269 0.000 1.123 302 G CA -0.171 45.065 45.100 0.226 0.000 0.873 302 G HN 0.226 nan 8.290 nan 0.000 0.460 303 F N 0.748 120.655 119.950 -0.070 0.000 2.703 303 F HA 0.592 5.119 4.527 -0.000 0.000 0.308 303 F C -1.535 174.189 175.800 -0.127 0.000 1.126 303 F CA -1.083 56.869 58.000 -0.081 0.000 0.959 303 F CB 2.364 41.322 39.000 -0.071 0.000 1.297 303 F HN 0.486 nan 8.300 nan 0.000 0.441 304 F N 4.004 123.773 119.950 -0.302 0.000 2.540 304 F HA 0.819 5.346 4.527 -0.000 0.000 0.317 304 F C -1.772 173.971 175.800 -0.096 0.000 1.104 304 F CA -0.841 56.991 58.000 -0.280 0.000 0.913 304 F CB 1.523 40.269 39.000 -0.423 0.000 1.170 304 F HN 0.172 nan 8.300 nan 0.000 0.450 305 V N 4.917 124.413 119.914 -0.696 0.000 2.577 305 V HA 0.864 4.984 4.120 -0.000 0.000 0.303 305 V C -0.738 175.002 176.094 -0.590 0.000 1.042 305 V CA -0.662 61.383 62.300 -0.426 0.000 0.872 305 V CB 1.335 33.059 31.823 -0.165 0.000 0.998 305 V HN 1.017 nan 8.190 nan 0.000 0.423 306 A N 4.846 127.468 122.820 -0.331 0.000 2.374 306 A HA 0.906 5.226 4.320 -0.000 0.000 0.305 306 A C -0.615 176.985 177.584 0.027 0.000 1.053 306 A CA -0.782 51.119 52.037 -0.226 0.000 0.726 306 A CB 1.635 20.336 19.000 -0.499 0.000 1.229 306 A HN 0.820 nan 8.150 nan 0.000 0.431 307 R N 2.438 123.022 120.500 0.141 0.000 2.480 307 R HA 0.709 5.049 4.340 -0.000 0.000 0.306 307 R C -1.970 174.490 176.300 0.267 0.000 0.958 307 R CA -0.497 55.699 56.100 0.161 0.000 0.861 307 R CB 0.849 31.216 30.300 0.111 0.000 1.171 307 R HN 0.599 nan 8.270 nan 0.000 0.445 308 L N 2.799 124.169 121.223 0.244 0.000 2.333 308 L HA 0.634 4.974 4.340 -0.000 0.000 0.263 308 L C -0.360 176.620 176.870 0.184 0.000 1.014 308 L CA -0.756 54.247 54.840 0.272 0.000 0.820 308 L CB 1.928 44.143 42.059 0.259 0.000 1.352 308 L HN 0.566 nan 8.230 nan 0.000 0.421 309 R N 1.149 121.739 120.500 0.151 0.000 2.621 309 R HA 0.431 4.771 4.340 -0.000 0.000 0.292 309 R C -0.936 175.461 176.300 0.161 0.000 0.969 309 R CA -0.827 55.350 56.100 0.129 0.000 0.887 309 R CB 1.539 31.886 30.300 0.079 0.000 1.180 309 R HN 0.605 nan 8.270 nan 0.000 0.450 310 K N 2.421 122.930 120.400 0.181 0.000 2.349 310 K HA 0.063 4.383 4.320 -0.000 0.000 0.289 310 K C 0.342 176.959 176.600 0.030 0.000 1.064 310 K CA 0.138 56.511 56.287 0.143 0.000 0.947 310 K CB 0.871 33.306 32.500 -0.109 0.000 1.007 310 K HN 0.764 nan 8.250 nan 0.000 0.478 311 T N 0.724 115.300 114.554 0.036 0.000 3.086 311 T HA 0.083 4.433 4.350 -0.000 0.000 0.250 311 T C 0.425 175.113 174.700 -0.021 0.000 1.074 311 T CA -0.042 62.060 62.100 0.003 0.000 0.988 311 T CB 0.240 69.113 68.868 0.007 0.000 0.988 311 T HN 0.628 nan 8.240 nan 0.000 0.530 312 Q N -0.262 119.512 119.800 -0.044 0.000 2.472 312 Q HA 0.621 4.961 4.340 -0.000 0.000 0.281 312 Q C -1.701 174.226 176.000 -0.121 0.000 0.997 312 Q CA -0.924 54.844 55.803 -0.060 0.000 0.828 312 Q CB 2.163 30.885 28.738 -0.026 0.000 1.443 312 Q HN 0.360 nan 8.270 nan 0.000 0.390 313 A N 2.503 125.251 122.820 -0.119 0.000 2.462 313 A HA 0.493 4.813 4.320 -0.000 0.000 0.243 313 A C -0.097 177.395 177.584 -0.153 0.000 1.076 313 A CA -0.027 51.913 52.037 -0.161 0.000 0.773 313 A CB -0.359 18.570 19.000 -0.120 0.000 1.010 313 A HN 0.561 nan 8.150 nan 0.000 0.493 314 I N -0.111 120.317 120.570 -0.238 0.000 2.863 314 I HA 0.704 4.874 4.170 -0.000 0.000 0.311 314 I C -2.461 173.577 176.117 -0.131 0.000 1.026 314 I CA -2.732 58.462 61.300 -0.177 0.000 1.077 314 I CB 0.640 38.450 38.000 -0.316 0.000 1.262 314 I HN 0.341 nan 8.210 nan 0.000 0.461 315 P HA 0.241 nan 4.420 nan 0.000 0.270 315 P C -0.718 176.599 177.300 0.028 0.000 1.227 315 P CA -0.290 62.826 63.100 0.028 0.000 0.788 315 P CB 0.341 32.097 31.700 0.093 0.000 0.926 316 A N 1.440 124.284 122.820 0.041 0.000 2.304 316 A HA 0.502 4.822 4.320 -0.000 0.000 0.271 316 A C -0.104 177.553 177.584 0.121 0.000 1.091 316 A CA -0.491 51.582 52.037 0.059 0.000 0.812 316 A CB -0.100 18.917 19.000 0.028 0.000 1.056 316 A HN 0.488 nan 8.150 nan 0.000 0.489 317 L N 1.074 122.383 121.223 0.142 0.000 2.416 317 L HA 0.352 4.692 4.340 -0.000 0.000 0.263 317 L C -1.128 175.780 176.870 0.063 0.000 1.065 317 L CA -1.709 53.197 54.840 0.111 0.000 0.798 317 L CB 0.509 42.630 42.059 0.104 0.000 1.267 317 L HN 0.571 nan 8.230 nan 0.000 0.467 318 P HA -0.076 nan 4.420 nan 0.000 0.214 318 P C -0.026 177.290 177.300 0.027 0.000 1.162 318 P CA 0.803 63.920 63.100 0.029 0.000 0.879 318 P CB 0.192 31.904 31.700 0.020 0.000 0.786 319 A N -0.113 122.722 122.820 0.026 0.000 3.232 319 A HA 0.416 4.736 4.320 -0.000 0.000 0.312 319 A C -2.264 175.331 177.584 0.017 0.000 1.185 319 A CA -0.834 51.212 52.037 0.015 0.000 1.011 319 A CB -0.347 18.658 19.000 0.007 0.000 1.096 319 A HN 0.120 nan 8.150 nan 0.000 0.543 320 P HA 0.389 nan 4.420 nan 0.000 0.213 320 P C 0.114 177.435 177.300 0.035 0.000 1.861 320 P CA -0.205 62.911 63.100 0.027 0.000 1.076 320 P CB 1.232 32.945 31.700 0.021 0.000 1.867 321 K N 0.311 120.737 120.400 0.043 0.000 2.284 321 K HA 0.077 4.397 4.320 -0.000 0.000 0.198 321 K C 0.938 177.559 176.600 0.034 0.000 1.048 321 K CA 0.599 56.896 56.287 0.017 0.000 0.987 321 K CB -0.374 32.110 32.500 -0.026 0.000 0.800 321 K HN 0.148 nan 8.250 nan 0.000 0.486 322 Y N 1.309 121.579 120.300 -0.049 0.000 2.465 322 Y HA 0.086 4.636 4.550 -0.000 0.000 0.311 322 Y C -0.279 175.609 175.900 -0.020 0.000 1.204 322 Y CA -0.542 57.528 58.100 -0.049 0.000 1.272 322 Y CB 0.137 38.536 38.460 -0.102 0.000 1.083 322 Y HN -0.211 nan 8.280 nan 0.000 0.508 323 K N 0.890 121.381 120.400 0.152 0.000 2.378 323 K HA -0.169 4.151 4.320 -0.000 0.000 0.250 323 K C 0.465 177.149 176.600 0.139 0.000 1.125 323 K CA 0.387 56.742 56.287 0.113 0.000 1.192 323 K CB 0.007 32.550 32.500 0.071 0.000 0.751 323 K HN 0.205 nan 8.250 nan 0.000 0.502 324 V N 4.418 124.404 119.914 0.120 0.000 3.577 324 V HA 0.181 4.301 4.120 -0.000 0.000 0.294 324 V C 0.953 177.126 176.094 0.131 0.000 1.317 324 V CA 0.997 63.375 62.300 0.130 0.000 1.169 324 V CB -1.184 30.683 31.823 0.072 0.000 1.011 324 V HN 1.146 nan 8.190 nan 0.000 0.426 325 G N 1.274 110.143 108.800 0.115 0.000 2.791 325 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.256 325 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.256 325 G C -0.060 174.921 174.900 0.135 0.000 1.380 325 G CA -0.016 45.150 45.100 0.109 0.000 0.904 325 G HN 0.499 nan 8.290 nan 0.000 0.563 326 N N -0.515 118.258 118.700 0.122 0.000 2.357 326 N HA 0.167 4.907 4.740 -0.000 0.000 0.257 326 N C 0.006 175.643 175.510 0.213 0.000 1.250 326 N CA 0.278 53.419 53.050 0.152 0.000 0.862 326 N CB 0.058 38.605 38.487 0.100 0.000 1.066 326 N HN 0.484 nan 8.380 nan 0.000 0.468 327 F N 5.289 125.297 119.950 0.096 0.000 2.424 327 F HA 0.293 4.820 4.527 -0.000 0.000 0.356 327 F C -1.067 174.795 175.800 0.103 0.000 1.110 327 F CA -1.772 56.306 58.000 0.130 0.000 1.161 327 F CB 1.171 40.273 39.000 0.170 0.000 1.115 327 F HN 0.496 nan 8.300 nan 0.000 0.507 328 P HA 0.031 nan 4.420 nan 0.000 0.249 328 P C -1.005 175.825 177.300 -0.783 0.000 1.241 328 P CA 0.672 63.422 63.100 -0.583 0.000 0.781 328 P CB -0.290 30.947 31.700 -0.772 0.000 1.088 329 F N -1.081 118.599 119.950 -0.450 0.000 2.577 329 F HA 0.582 5.109 4.527 -0.000 0.000 0.318 329 F C 0.577 176.626 175.800 0.416 0.000 1.065 329 F CA -1.173 56.789 58.000 -0.063 0.000 0.929 329 F CB 1.536 40.498 39.000 -0.065 0.000 1.237 329 F HN -0.380 nan 8.300 nan 0.000 0.468 330 S N 2.133 118.216 115.700 0.637 0.000 2.542 330 S HA 0.658 5.127 4.470 -0.000 0.000 0.293 330 S C -2.978 171.697 174.600 0.126 0.000 1.089 330 S CA -1.920 56.542 58.200 0.437 0.000 0.961 330 S CB 1.722 65.037 63.200 0.193 0.000 1.062 330 S HN 0.312 nan 8.310 nan 0.000 0.483 331 P HA 0.146 nan 4.420 nan 0.000 0.271 331 P C -0.574 176.493 177.300 -0.388 0.000 1.216 331 P CA -0.260 62.214 63.100 -1.044 0.000 0.771 331 P CB 0.487 31.451 31.700 -1.228 0.000 0.864 332 V N 4.569 124.321 119.914 -0.270 0.000 2.572 332 V HA 0.032 4.152 4.120 -0.000 0.000 0.291 332 V C 1.363 177.411 176.094 -0.076 0.000 1.039 332 V CA -0.041 62.206 62.300 -0.088 0.000 1.055 332 V CB -0.168 31.650 31.823 -0.009 0.000 0.969 332 V HN 0.493 nan 8.190 nan 0.000 0.482 333 K N 2.761 123.141 120.400 -0.034 0.000 2.319 333 K HA 0.016 4.336 4.320 -0.000 0.000 0.265 333 K C 0.871 177.475 176.600 0.006 0.000 1.000 333 K CA -0.190 56.085 56.287 -0.020 0.000 0.943 333 K CB 0.559 33.056 32.500 -0.004 0.000 0.950 333 K HN 0.673 nan 8.250 nan 0.000 0.485 334 D N 1.944 122.347 120.400 0.005 0.000 2.092 334 D HA -0.147 4.493 4.640 -0.000 0.000 0.193 334 D C 1.867 178.185 176.300 0.031 0.000 0.994 334 D CA 1.388 55.399 54.000 0.019 0.000 0.828 334 D CB 0.186 40.992 40.800 0.011 0.000 0.963 334 D HN 0.413 nan 8.370 nan 0.000 0.450 335 R N 0.383 120.899 120.500 0.027 0.000 2.115 335 R HA -0.190 4.150 4.340 -0.000 0.000 0.239 335 R C 2.258 178.589 176.300 0.051 0.000 1.133 335 R CA 1.807 57.927 56.100 0.033 0.000 0.935 335 R CB -0.280 30.036 30.300 0.028 0.000 0.853 335 R HN 0.306 nan 8.270 nan 0.000 0.433 336 E N -0.487 119.748 120.200 0.057 0.000 2.051 336 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 336 E C 1.865 178.531 176.600 0.110 0.000 0.991 336 E CA 1.111 57.562 56.400 0.084 0.000 0.799 336 E CB -0.099 29.648 29.700 0.078 0.000 0.748 336 E HN 0.437 nan 8.360 nan 0.000 0.449 337 A N 0.965 123.845 122.820 0.101 0.000 1.927 337 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 337 A C 2.388 180.056 177.584 0.141 0.000 1.185 337 A CA 2.210 54.333 52.037 0.144 0.000 0.639 337 A CB -1.340 17.740 19.000 0.132 0.000 0.820 337 A HN 0.454 nan 8.150 nan 0.000 0.451 338 G N -0.077 108.774 108.800 0.085 0.000 2.433 338 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.216 338 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.216 338 G C 1.609 176.549 174.900 0.067 0.000 1.186 338 G CA 1.193 46.324 45.100 0.051 0.000 0.779 338 G HN 0.827 nan 8.290 nan 0.000 0.543 339 Q N -0.041 119.813 119.800 0.091 0.000 2.297 339 Q HA -0.013 4.327 4.340 -0.000 0.000 0.208 339 Q C 2.350 178.445 176.000 0.157 0.000 0.981 339 Q CA 1.258 57.131 55.803 0.117 0.000 0.876 339 Q CB -0.366 28.445 28.738 0.123 0.000 0.921 339 Q HN 0.550 nan 8.270 nan 0.000 0.446 340 I N 0.253 120.924 120.570 0.168 0.000 2.400 340 I HA -0.132 4.038 4.170 -0.000 0.000 0.248 340 I C 2.672 178.893 176.117 0.174 0.000 1.109 340 I CA 0.793 62.184 61.300 0.152 0.000 1.425 340 I CB -0.169 37.933 38.000 0.170 0.000 1.094 340 I HN 0.130 nan 8.210 nan 0.000 0.425 341 R N 1.731 122.339 120.500 0.180 0.000 2.094 341 R HA -0.279 4.061 4.340 -0.000 0.000 0.239 341 R C 2.303 178.596 176.300 -0.012 0.000 1.137 341 R CA 2.420 58.553 56.100 0.054 0.000 0.943 341 R CB -0.435 29.777 30.300 -0.147 0.000 0.850 341 R HN 0.545 nan 8.270 nan 0.000 0.433 342 Q N -0.984 118.821 119.800 0.008 0.000 2.119 342 Q HA 0.025 4.365 4.340 -0.000 0.000 0.201 342 Q C 2.000 178.023 176.000 0.038 0.000 0.972 342 Q CA 1.613 57.418 55.803 0.004 0.000 0.847 342 Q CB -0.495 28.252 28.738 0.014 0.000 0.903 342 Q HN 0.338 nan 8.270 nan 0.000 0.433 343 A N 1.120 124.000 122.820 0.100 0.000 1.969 343 A HA 0.090 4.410 4.320 -0.000 0.000 0.218 343 A C 2.365 180.022 177.584 0.122 0.000 1.169 343 A CA 1.523 53.663 52.037 0.172 0.000 0.635 343 A CB -0.910 18.246 19.000 0.259 0.000 0.810 343 A HN 0.537 nan 8.150 nan 0.000 0.445 344 A N -1.480 121.349 122.820 0.014 0.000 1.898 344 A HA 0.001 4.320 4.320 -0.000 0.000 0.214 344 A C 2.273 179.669 177.584 -0.313 0.000 1.183 344 A CA 2.007 53.818 52.037 -0.376 0.000 0.622 344 A CB -1.112 17.798 19.000 -0.150 0.000 0.824 344 A HN 0.366 nan 8.150 nan 0.000 0.444 345 T N -0.031 114.431 114.554 -0.153 0.000 2.759 345 T HA -0.074 4.276 4.350 -0.000 0.000 0.269 345 T C 1.812 176.434 174.700 -0.130 0.000 1.042 345 T CA 1.494 63.510 62.100 -0.141 0.000 1.140 345 T CB -0.503 68.297 68.868 -0.113 0.000 0.864 345 T HN 0.576 nan 8.240 nan 0.000 0.455 346 G N -0.022 108.722 108.800 -0.093 0.000 2.586 346 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.215 346 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.215 346 G C 1.203 176.050 174.900 -0.088 0.000 1.128 346 G CA 0.454 45.520 45.100 -0.057 0.000 0.774 346 G HN 0.481 nan 8.290 nan 0.000 0.543 347 V N -0.840 118.955 119.914 -0.197 0.000 3.477 347 V HA 0.460 4.580 4.120 -0.000 0.000 0.297 347 V C 1.699 177.638 176.094 -0.259 0.000 1.433 347 V CA 0.755 62.904 62.300 -0.251 0.000 1.052 347 V CB 0.432 31.990 31.823 -0.442 0.000 0.895 347 V HN 0.619 nan 8.190 nan 0.000 0.438 348 G N 0.681 109.347 108.800 -0.223 0.000 2.184 348 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.206 348 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.206 348 G C 0.007 174.802 174.900 -0.175 0.000 0.995 348 G CA -0.171 44.828 45.100 -0.169 0.000 0.651 348 G HN 0.371 nan 8.290 nan 0.000 0.511 349 L N 0.827 121.903 121.223 -0.245 0.000 2.295 349 L HA 0.674 5.014 4.340 -0.000 0.000 0.285 349 L C -0.264 176.568 176.870 -0.064 0.000 1.035 349 L CA -0.880 53.858 54.840 -0.170 0.000 0.806 349 L CB 1.494 43.389 42.059 -0.273 0.000 1.214 349 L HN 0.179 nan 8.230 nan 0.000 0.426 350 N N 2.344 121.066 118.700 0.036 0.000 2.331 350 N HA 0.611 5.351 4.740 -0.000 0.000 0.280 350 N C -1.582 174.048 175.510 0.200 0.000 1.155 350 N CA -0.812 52.248 53.050 0.017 0.000 0.822 350 N CB 1.909 40.355 38.487 -0.068 0.000 1.619 350 N HN 0.444 nan 8.380 nan 0.000 0.476 351 W N -0.517 120.765 121.300 -0.029 0.000 2.882 351 W HA 0.587 5.247 4.660 -0.000 0.000 0.345 351 W C -0.505 176.017 176.519 0.004 0.000 1.125 351 W CA -0.528 56.814 57.345 -0.006 0.000 1.167 351 W CB 0.184 29.651 29.460 0.011 0.000 1.431 351 W HN 0.280 nan 8.180 nan 0.000 0.543 352 D N 0.860 121.404 120.400 0.240 0.000 2.372 352 D HA 0.002 4.642 4.640 -0.000 0.000 0.243 352 D C 1.029 177.426 176.300 0.162 0.000 1.297 352 D CA 0.352 54.435 54.000 0.138 0.000 0.958 352 D CB 0.823 41.709 40.800 0.142 0.000 1.114 352 D HN 0.369 nan 8.370 nan 0.000 0.496 353 E N -0.315 119.946 120.200 0.101 0.000 2.516 353 E HA -0.083 4.267 4.350 -0.000 0.000 0.199 353 E C 1.032 177.728 176.600 0.159 0.000 1.069 353 E CA 0.173 56.642 56.400 0.115 0.000 0.876 353 E CB -0.138 29.600 29.700 0.062 0.000 0.843 353 E HN 0.258 nan 8.360 nan 0.000 0.530 354 N N 0.112 118.911 118.700 0.166 0.000 2.512 354 N HA -0.002 4.738 4.740 -0.000 0.000 0.183 354 N C -0.501 175.126 175.510 0.194 0.000 1.073 354 N CA 0.530 53.675 53.050 0.158 0.000 0.911 354 N CB 0.275 38.841 38.487 0.132 0.000 0.964 354 N HN 0.073 nan 8.380 nan 0.000 0.447 355 L N 0.436 121.823 121.223 0.274 0.000 2.381 355 L HA 0.560 4.900 4.340 -0.000 0.000 0.268 355 L C -0.364 176.704 176.870 0.329 0.000 0.997 355 L CA -0.872 54.120 54.840 0.253 0.000 0.818 355 L CB 2.277 44.459 42.059 0.205 0.000 1.310 355 L HN -0.033 nan 8.230 nan 0.000 0.416 356 R N 2.012 122.630 120.500 0.197 0.000 2.725 356 R HA 0.524 4.864 4.340 -0.000 0.000 0.277 356 R C -1.603 174.739 176.300 0.070 0.000 0.987 356 R CA -1.137 55.095 56.100 0.220 0.000 0.901 356 R CB 2.634 33.098 30.300 0.273 0.000 1.207 356 R HN 0.246 nan 8.270 nan 0.000 0.463 357 L N 2.281 123.490 121.223 -0.023 0.000 2.281 357 L HA 0.320 4.660 4.340 -0.000 0.000 0.285 357 L C -1.065 175.775 176.870 -0.051 0.000 1.074 357 L CA 0.191 54.970 54.840 -0.101 0.000 0.817 357 L CB 0.167 42.219 42.059 -0.013 0.000 1.168 357 L HN 0.490 nan 8.230 nan 0.000 0.434 358 W N 3.200 124.294 121.300 -0.343 0.000 2.869 358 W HA 0.724 5.384 4.660 -0.000 0.000 0.345 358 W C -0.358 176.135 176.519 -0.043 0.000 1.191 358 W CA -0.554 56.657 57.345 -0.224 0.000 1.104 358 W CB 0.820 30.009 29.460 -0.451 0.000 1.471 358 W HN 0.368 nan 8.180 nan 0.000 0.612 359 Q N 0.798 120.826 119.800 0.380 0.000 2.353 359 Q HA 0.369 4.709 4.340 -0.000 0.000 0.275 359 Q C 0.072 176.270 176.000 0.330 0.000 1.029 359 Q CA -0.527 55.473 55.803 0.328 0.000 0.848 359 Q CB 2.528 31.383 28.738 0.194 0.000 1.390 359 Q HN 0.643 nan 8.270 nan 0.000 0.401 360 R N 2.448 123.101 120.500 0.254 0.000 2.502 360 R HA 0.247 4.587 4.340 -0.000 0.000 0.174 360 R C 0.081 176.394 176.300 0.021 0.000 1.201 360 R CA 0.583 56.688 56.100 0.009 0.000 1.151 360 R CB 0.472 30.602 30.300 -0.283 0.000 1.202 360 R HN 0.688 nan 8.270 nan 0.000 0.509 361 D N -0.314 120.126 120.400 0.066 0.000 3.305 361 D HA 0.139 4.779 4.640 -0.000 0.000 0.221 361 D C 0.787 177.123 176.300 0.061 0.000 1.187 361 D CA -0.055 53.969 54.000 0.040 0.000 1.276 361 D CB 0.478 41.288 40.800 0.016 0.000 0.924 361 D HN -0.105 nan 8.370 nan 0.000 0.189 362 K N 0.895 121.326 120.400 0.051 0.000 2.439 362 K HA 0.070 4.390 4.320 -0.000 0.000 0.197 362 K C 0.354 177.004 176.600 0.083 0.000 1.041 362 K CA 0.332 56.646 56.287 0.044 0.000 0.970 362 K CB 0.011 32.518 32.500 0.011 0.000 0.773 362 K HN 0.207 nan 8.250 nan 0.000 0.479 363 E N 0.466 120.750 120.200 0.141 0.000 2.398 363 E HA 0.140 4.490 4.350 -0.000 0.000 0.263 363 E C -0.603 176.161 176.600 0.272 0.000 1.046 363 E CA 0.112 56.647 56.400 0.225 0.000 0.908 363 E CB 0.644 30.598 29.700 0.424 0.000 0.963 363 E HN 0.053 nan 8.360 nan 0.000 0.431 364 L N 3.464 124.791 121.223 0.173 0.000 2.441 364 L HA 0.384 4.724 4.340 -0.000 0.000 0.270 364 L C -1.291 175.569 176.870 -0.017 0.000 0.973 364 L CA -0.682 54.246 54.840 0.147 0.000 0.842 364 L CB 0.907 43.016 42.059 0.082 0.000 1.239 364 L HN 0.502 nan 8.230 nan 0.000 0.406 365 W N 3.799 125.033 121.300 -0.110 0.000 2.706 365 W HA 0.691 5.351 4.660 -0.000 0.000 0.346 365 W C -0.738 175.509 176.519 -0.454 0.000 1.071 365 W CA -0.400 56.789 57.345 -0.260 0.000 1.206 365 W CB 1.606 30.835 29.460 -0.385 0.000 1.413 365 W HN 0.161 nan 8.180 nan 0.000 0.542 366 L N 3.306 124.414 121.223 -0.193 0.000 2.313 366 L HA 0.509 4.849 4.340 -0.000 0.000 0.283 366 L C -0.884 175.968 176.870 -0.030 0.000 1.013 366 L CA -0.721 53.948 54.840 -0.284 0.000 0.816 366 L CB 0.480 42.288 42.059 -0.418 0.000 1.236 366 L HN 0.122 nan 8.230 nan 0.000 0.419 367 F N 3.372 123.317 119.950 -0.009 0.000 2.492 367 F HA 0.578 5.105 4.527 -0.000 0.000 0.327 367 F C -2.090 173.701 175.800 -0.015 0.000 1.079 367 F CA -3.400 54.535 58.000 -0.107 0.000 0.967 367 F CB 0.854 39.629 39.000 -0.374 0.000 1.169 367 F HN 0.231 nan 8.300 nan 0.000 0.472 368 P HA 0.143 nan 4.420 nan 0.000 0.281 368 P C 0.696 178.072 177.300 0.125 0.000 1.252 368 P CA -0.086 63.093 63.100 0.131 0.000 0.778 368 P CB 1.612 33.364 31.700 0.085 0.000 0.895 369 V N 3.955 123.960 119.914 0.151 0.000 2.392 369 V HA -0.225 3.895 4.120 -0.000 0.000 0.249 369 V C 2.791 178.936 176.094 0.085 0.000 1.059 369 V CA 2.706 65.094 62.300 0.146 0.000 1.051 369 V CB -1.818 30.092 31.823 0.144 0.000 0.658 369 V HN 0.790 nan 8.190 nan 0.000 0.455 370 G N -0.284 108.558 108.800 0.071 0.000 2.606 370 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.223 370 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.223 370 G C 1.484 176.394 174.900 0.017 0.000 1.106 370 G CA 1.465 46.593 45.100 0.047 0.000 0.745 370 G HN 0.518 nan 8.290 nan 0.000 0.597 371 I N -0.220 120.342 120.570 -0.013 0.000 3.427 371 I HA 0.210 4.379 4.170 -0.000 0.000 0.288 371 I C 2.292 178.334 176.117 -0.124 0.000 1.249 371 I CA 0.325 61.578 61.300 -0.078 0.000 1.421 371 I CB 0.111 37.985 38.000 -0.209 0.000 1.086 371 I HN 0.151 nan 8.210 nan 0.000 0.448 372 E N 0.851 121.004 120.200 -0.079 0.000 2.086 372 E HA -0.286 4.064 4.350 -0.000 0.000 0.200 372 E C 2.174 178.727 176.600 -0.079 0.000 1.012 372 E CA 1.813 58.174 56.400 -0.066 0.000 0.812 372 E CB -0.265 29.484 29.700 0.082 0.000 0.743 372 E HN 0.548 nan 8.360 nan 0.000 0.453 373 A N -0.467 122.323 122.820 -0.049 0.000 2.225 373 A HA -0.091 4.228 4.320 -0.000 0.000 0.215 373 A C 1.866 179.412 177.584 -0.063 0.000 1.164 373 A CA 0.827 52.831 52.037 -0.056 0.000 0.710 373 A CB -0.260 18.700 19.000 -0.066 0.000 0.780 373 A HN 0.240 nan 8.150 nan 0.000 0.473 374 L N -0.924 120.276 121.223 -0.038 0.000 2.408 374 L HA 0.253 4.593 4.340 -0.000 0.000 0.215 374 L C 0.363 177.278 176.870 0.075 0.000 1.081 374 L CA -0.198 54.669 54.840 0.045 0.000 0.840 374 L CB -0.090 42.095 42.059 0.210 0.000 1.002 374 L HN 0.218 nan 8.230 nan 0.000 0.468 375 I N 1.392 121.924 120.570 -0.062 0.000 3.045 375 I HA -0.179 3.991 4.170 -0.000 0.000 0.306 375 I C 1.409 177.431 176.117 -0.158 0.000 1.232 375 I CA 1.369 62.494 61.300 -0.291 0.000 1.415 375 I CB -0.260 37.293 38.000 -0.745 0.000 1.364 375 I HN 0.454 nan 8.210 nan 0.000 0.538 376 G N 4.779 113.553 108.800 -0.044 0.000 2.213 376 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.236 376 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.236 376 G C 0.878 175.785 174.900 0.013 0.000 0.991 376 G CA 0.264 45.367 45.100 0.006 0.000 0.629 376 G HN 0.636 nan 8.290 nan 0.000 0.517 377 K N -0.221 120.180 120.400 0.002 0.000 2.354 377 K HA 0.518 4.838 4.320 -0.000 0.000 0.194 377 K C 0.658 177.226 176.600 -0.053 0.000 1.045 377 K CA 0.993 57.270 56.287 -0.017 0.000 1.026 377 K CB 1.363 33.852 32.500 -0.018 0.000 0.866 377 K HN 0.960 nan 8.250 nan 0.000 0.530 378 V N -1.182 118.700 119.914 -0.053 0.000 2.971 378 V HA 0.497 4.616 4.120 -0.000 0.000 0.309 378 V C -1.292 174.768 176.094 -0.056 0.000 1.130 378 V CA -1.462 60.778 62.300 -0.100 0.000 0.964 378 V CB 2.102 33.847 31.823 -0.131 0.000 1.029 378 V HN -0.051 nan 8.190 nan 0.000 0.427 379 R N 1.957 122.500 120.500 0.071 0.000 2.298 379 R HA 0.582 4.921 4.340 -0.000 0.000 0.310 379 R C -1.113 175.142 176.300 -0.075 0.000 1.068 379 R CA -0.083 56.077 56.100 0.100 0.000 0.957 379 R CB 0.384 30.770 30.300 0.143 0.000 1.003 379 R HN 0.708 nan 8.270 nan 0.000 0.454 380 F N 1.504 121.490 119.950 0.061 0.000 2.399 380 F HA 0.178 4.705 4.527 -0.000 0.000 0.334 380 F C 1.615 177.383 175.800 -0.054 0.000 1.097 380 F CA 0.210 58.202 58.000 -0.014 0.000 1.076 380 F CB 1.976 40.955 39.000 -0.035 0.000 1.162 380 F HN 0.565 nan 8.300 nan 0.000 0.495 381 S N 2.427 118.200 115.700 0.122 0.000 2.436 381 S HA 0.207 4.677 4.470 -0.000 0.000 0.228 381 S C 0.472 175.119 174.600 0.079 0.000 1.014 381 S CA 0.769 59.007 58.200 0.063 0.000 0.950 381 S CB 0.013 63.238 63.200 0.041 0.000 0.784 381 S HN 0.637 nan 8.310 nan 0.000 0.504 382 R N -1.161 119.398 120.500 0.099 0.000 3.112 382 R HA 0.374 4.713 4.340 -0.000 0.000 0.271 382 R C -2.388 173.864 176.300 -0.079 0.000 1.008 382 R CA -0.547 55.565 56.100 0.019 0.000 0.903 382 R CB 0.781 31.154 30.300 0.122 0.000 1.267 382 R HN 0.147 nan 8.270 nan 0.000 0.514 383 L N 0.981 122.080 121.223 -0.207 0.000 2.493 383 L HA 0.574 4.914 4.340 -0.000 0.000 0.265 383 L C 0.715 177.644 176.870 0.098 0.000 0.954 383 L CA 0.154 54.763 54.840 -0.385 0.000 0.844 383 L CB 2.050 43.314 42.059 -1.326 0.000 1.302 383 L HN 0.946 nan 8.230 nan 0.000 0.405 384 G N 2.776 111.658 108.800 0.137 0.000 2.574 384 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.286 384 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.286 384 G C -0.274 174.815 174.900 0.314 0.000 1.212 384 G CA 0.405 45.667 45.100 0.270 0.000 0.979 384 G HN 1.079 nan 8.290 nan 0.000 0.557 385 I N -2.398 118.318 120.570 0.243 0.000 2.730 385 I HA 0.727 4.897 4.170 -0.000 0.000 0.298 385 I C -0.215 175.708 176.117 -0.324 0.000 1.089 385 I CA -1.166 60.147 61.300 0.023 0.000 1.041 385 I CB 2.263 40.249 38.000 -0.022 0.000 1.235 385 I HN 0.594 nan 8.210 nan 0.000 0.423 386 K N 3.426 123.367 120.400 -0.764 0.000 2.316 386 K HA 0.195 4.515 4.320 -0.000 0.000 0.289 386 K C 0.387 176.703 176.600 -0.474 0.000 1.070 386 K CA -0.428 55.154 56.287 -1.176 0.000 0.928 386 K CB 1.222 32.981 32.500 -1.235 0.000 1.039 386 K HN 0.733 nan 8.250 nan 0.000 0.480 387 L N 4.690 125.701 121.223 -0.353 0.000 2.049 387 L HA 0.207 4.546 4.340 -0.000 0.000 0.203 387 L C 0.077 176.962 176.870 0.025 0.000 1.074 387 L CA 1.572 56.356 54.840 -0.092 0.000 0.749 387 L CB 0.074 42.090 42.059 -0.070 0.000 0.907 387 L HN 0.705 nan 8.230 nan 0.000 0.439 388 A N -1.227 121.538 122.820 -0.092 0.000 2.599 388 A HA 0.576 4.896 4.320 -0.000 0.000 0.290 388 A C -1.337 176.198 177.584 -0.081 0.000 1.101 388 A CA -0.569 51.396 52.037 -0.120 0.000 0.674 388 A CB 0.710 19.485 19.000 -0.376 0.000 1.277 388 A HN 0.149 nan 8.150 nan 0.000 0.419 389 E N 0.397 120.557 120.200 -0.066 0.000 2.187 389 E HA 0.562 4.912 4.350 -0.000 0.000 0.268 389 E C -0.697 175.888 176.600 -0.025 0.000 0.896 389 E CA -0.475 55.915 56.400 -0.017 0.000 0.766 389 E CB 1.338 31.030 29.700 -0.014 0.000 1.142 389 E HN 0.689 nan 8.360 nan 0.000 0.408 390 T N 2.838 117.384 114.554 -0.013 0.000 2.919 390 T HA 0.133 4.482 4.350 -0.000 0.000 0.302 390 T C -0.219 174.463 174.700 -0.030 0.000 1.031 390 T CA -0.181 61.859 62.100 -0.099 0.000 1.127 390 T CB 0.379 69.188 68.868 -0.098 0.000 0.952 390 T HN 0.496 nan 8.240 nan 0.000 0.540 391 H N 2.212 121.160 119.070 -0.204 0.000 3.096 391 H HA 0.265 4.821 4.556 -0.000 0.000 0.335 391 H C 0.140 175.374 175.328 -0.156 0.000 0.990 391 H CA -0.820 55.145 56.048 -0.139 0.000 1.393 391 H CB 0.622 30.322 29.762 -0.104 0.000 1.742 391 H HN 0.810 nan 8.280 nan 0.000 0.501 392 N N 1.582 120.286 118.700 0.007 0.000 1.249 392 N HA -0.332 4.408 4.740 -0.000 0.000 0.100 392 N C 1.106 176.510 175.510 -0.177 0.000 0.804 392 N CA 1.921 54.900 53.050 -0.119 0.000 0.834 392 N CB -0.208 38.149 38.487 -0.217 0.000 0.912 392 N HN 0.755 nan 8.380 nan 0.000 0.683 393 K N 1.063 121.354 120.400 -0.182 0.000 2.442 393 K HA 0.023 4.343 4.320 -0.000 0.000 0.198 393 K C 0.986 177.381 176.600 -0.341 0.000 1.044 393 K CA 1.736 57.901 56.287 -0.202 0.000 0.948 393 K CB -0.826 31.599 32.500 -0.124 0.000 0.762 393 K HN 0.494 nan 8.250 nan 0.000 0.472 394 G N -0.237 108.346 108.800 -0.363 0.000 2.543 394 G HA2 0.492 4.451 3.960 -0.000 0.000 0.267 394 G HA3 0.492 4.451 3.960 -0.000 0.000 0.267 394 G C -1.229 173.263 174.900 -0.680 0.000 1.406 394 G CA -0.720 44.137 45.100 -0.405 0.000 1.048 394 G HN 0.204 nan 8.290 nan 0.000 0.548 395 Y N -1.409 118.727 120.300 -0.273 0.000 2.479 395 Y HA 0.455 5.005 4.550 -0.000 0.000 0.338 395 Y C 0.131 175.702 175.900 -0.548 0.000 1.055 395 Y CA -0.910 56.877 58.100 -0.522 0.000 1.023 395 Y CB 2.040 39.848 38.460 -1.086 0.000 1.287 395 Y HN 0.257 nan 8.280 nan 0.000 0.447 396 R N 2.534 122.902 120.500 -0.220 0.000 2.287 396 R HA 0.192 4.531 4.340 -0.000 0.000 0.327 396 R C -1.446 174.775 176.300 -0.131 0.000 1.109 396 R CA -0.538 55.491 56.100 -0.118 0.000 1.013 396 R CB 0.415 30.711 30.300 -0.007 0.000 1.126 396 R HN 0.636 nan 8.270 nan 0.000 0.503 397 W N 2.601 123.964 121.300 0.106 0.000 2.223 397 W HA 0.007 4.667 4.660 -0.000 0.000 0.334 397 W C 0.711 177.263 176.519 0.054 0.000 1.334 397 W CA -0.357 57.021 57.345 0.055 0.000 1.246 397 W CB 0.411 29.895 29.460 0.040 0.000 1.184 397 W HN 0.164 nan 8.180 nan 0.000 0.563 398 Q N 3.240 123.189 119.800 0.248 0.000 2.259 398 Q HA -0.023 4.317 4.340 -0.000 0.000 0.249 398 Q C 1.472 177.592 176.000 0.201 0.000 0.914 398 Q CA -0.231 55.670 55.803 0.163 0.000 0.904 398 Q CB 0.762 29.526 28.738 0.044 0.000 1.213 398 Q HN 0.615 nan 8.270 nan 0.000 0.428 399 H N 3.108 122.261 119.070 0.138 0.000 2.319 399 H HA -0.198 4.358 4.556 -0.000 0.000 0.297 399 H C 1.441 176.842 175.328 0.120 0.000 1.097 399 H CA 2.323 58.468 56.048 0.162 0.000 1.285 399 H CB 0.439 30.322 29.762 0.201 0.000 1.368 399 H HN 0.866 nan 8.280 nan 0.000 0.495 400 E N 0.382 120.691 120.200 0.183 0.000 2.130 400 E HA -0.179 4.171 4.350 -0.000 0.000 0.196 400 E C 2.206 178.797 176.600 -0.015 0.000 0.998 400 E CA 1.250 57.702 56.400 0.086 0.000 0.806 400 E CB -0.170 29.606 29.700 0.127 0.000 0.738 400 E HN 0.558 nan 8.360 nan 0.000 0.459 401 A N 0.392 123.209 122.820 -0.005 0.000 1.970 401 A HA -0.024 4.295 4.320 -0.000 0.000 0.216 401 A C 2.337 179.895 177.584 -0.044 0.000 1.170 401 A CA 0.927 52.953 52.037 -0.018 0.000 0.645 401 A CB -0.229 18.779 19.000 0.014 0.000 0.816 401 A HN 0.212 nan 8.150 nan 0.000 0.447 402 V N 0.772 120.647 119.914 -0.066 0.000 2.358 402 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 402 V C 2.365 178.380 176.094 -0.133 0.000 1.047 402 V CA 1.611 63.848 62.300 -0.105 0.000 1.035 402 V CB -0.679 31.079 31.823 -0.107 0.000 0.658 402 V HN 0.510 nan 8.190 nan 0.000 0.452 403 I N 0.812 121.270 120.570 -0.187 0.000 2.286 403 I HA -0.170 4.000 4.170 -0.000 0.000 0.248 403 I C 2.564 178.639 176.117 -0.070 0.000 1.115 403 I CA 1.958 63.172 61.300 -0.143 0.000 1.392 403 I CB -1.696 36.214 38.000 -0.151 0.000 1.065 403 I HN 0.321 nan 8.210 nan 0.000 0.418 404 A N 0.346 123.135 122.820 -0.053 0.000 1.903 404 A HA 0.076 4.396 4.320 -0.000 0.000 0.213 404 A C 2.205 179.787 177.584 -0.004 0.000 1.185 404 A CA 0.771 52.798 52.037 -0.018 0.000 0.628 404 A CB -0.337 18.661 19.000 -0.005 0.000 0.830 404 A HN 0.396 nan 8.150 nan 0.000 0.446 405 L N -0.963 120.253 121.223 -0.012 0.000 2.638 405 L HA 0.300 4.639 4.340 -0.000 0.000 0.232 405 L C 1.068 177.924 176.870 -0.023 0.000 1.099 405 L CA 0.013 54.861 54.840 0.013 0.000 0.883 405 L CB -0.022 42.065 42.059 0.046 0.000 1.136 405 L HN 0.291 nan 8.230 nan 0.000 0.492 406 A N 0.753 123.541 122.820 -0.054 0.000 2.444 406 A HA 0.251 4.571 4.320 -0.000 0.000 0.273 406 A C 0.423 177.977 177.584 -0.051 0.000 1.136 406 A CA 0.265 52.258 52.037 -0.073 0.000 0.799 406 A CB 0.265 19.212 19.000 -0.090 0.000 1.081 406 A HN 0.126 nan 8.150 nan 0.000 0.509 407 S N 4.116 119.785 115.700 -0.052 0.000 2.465 407 S HA 0.456 4.926 4.470 -0.000 0.000 0.279 407 S C -1.080 173.497 174.600 -0.038 0.000 1.201 407 S CA -1.439 56.737 58.200 -0.039 0.000 1.053 407 S CB 0.680 63.856 63.200 -0.040 0.000 0.953 407 S HN 0.608 nan 8.310 nan 0.000 0.488 408 P HA 0.005 nan 4.420 nan 0.000 0.215 408 P C -0.307 176.989 177.300 -0.006 0.000 1.160 408 P CA 0.645 63.738 63.100 -0.012 0.000 0.869 408 P CB -0.620 31.085 31.700 0.009 0.000 0.782 409 D N 1.590 121.982 120.400 -0.013 0.000 2.449 409 D HA 0.020 4.660 4.640 -0.000 0.000 0.278 409 D C 0.362 176.645 176.300 -0.027 0.000 1.417 409 D CA 0.222 54.206 54.000 -0.027 0.000 1.192 409 D CB -1.051 39.726 40.800 -0.039 0.000 1.129 409 D HN 0.172 nan 8.370 nan 0.000 0.539 413 A N 1.154 123.993 122.820 0.032 0.000 2.492 413 A HA 0.434 4.754 4.320 -0.000 0.000 0.236 413 A C -0.561 177.105 177.584 0.137 0.000 1.078 413 A CA 0.654 52.718 52.037 0.046 0.000 0.773 413 A CB 0.050 19.063 19.000 0.022 0.000 1.023 413 A HN 0.323 nan 8.150 nan 0.000 0.504 414 F N 0.099 120.012 119.950 -0.063 0.000 2.730 414 F HA 0.438 4.965 4.527 -0.000 0.000 0.335 414 F C -0.269 175.485 175.800 -0.077 0.000 1.212 414 F CA -0.506 57.460 58.000 -0.058 0.000 1.016 414 F CB 1.491 40.453 39.000 -0.063 0.000 1.290 414 F HN 0.695 nan 8.300 nan 0.000 0.495 415 E N 5.590 125.489 120.200 -0.502 0.000 2.259 415 E HA 0.370 4.720 4.350 -0.000 0.000 0.281 415 E C -1.122 175.218 176.600 -0.433 0.000 1.037 415 E CA -0.069 56.089 56.400 -0.404 0.000 0.854 415 E CB 0.780 30.241 29.700 -0.399 0.000 1.051 415 E HN 0.701 nan 8.360 nan 0.000 0.409 416 L N 3.515 124.668 121.223 -0.116 0.000 2.418 416 L HA 0.313 4.653 4.340 -0.000 0.000 0.265 416 L C 0.791 177.725 176.870 0.105 0.000 1.143 416 L CA -0.603 54.248 54.840 0.018 0.000 0.809 416 L CB 0.995 43.077 42.059 0.038 0.000 1.124 416 L HN 0.700 nan 8.230 nan 0.000 0.456 417 T N -1.675 112.928 114.554 0.082 0.000 2.828 417 T HA 0.186 4.535 4.350 -0.000 0.000 0.290 417 T C -1.691 173.113 174.700 0.173 0.000 1.019 417 T CA -1.557 60.623 62.100 0.133 0.000 1.031 417 T CB 0.983 69.897 68.868 0.076 0.000 1.001 417 T HN 0.436 nan 8.240 nan 0.000 0.531 418 P HA -0.217 nan 4.420 nan 0.000 0.216 418 P C 1.596 178.877 177.300 -0.030 0.000 1.153 418 P CA 1.403 64.589 63.100 0.144 0.000 0.858 418 P CB 0.111 31.957 31.700 0.243 0.000 0.789 419 Q N 1.043 120.862 119.800 0.031 0.000 2.014 419 Q HA -0.223 4.116 4.340 -0.000 0.000 0.207 419 Q C 2.238 178.240 176.000 0.003 0.000 0.993 419 Q CA 2.161 57.977 55.803 0.022 0.000 0.850 419 Q CB -0.870 27.892 28.738 0.041 0.000 0.916 419 Q HN 0.279 nan 8.270 nan 0.000 0.417 420 E N -0.407 119.801 120.200 0.014 0.000 2.110 420 E HA -0.171 4.178 4.350 -0.000 0.000 0.193 420 E C 1.944 178.522 176.600 -0.037 0.000 0.988 420 E CA 0.771 57.193 56.400 0.036 0.000 0.804 420 E CB -0.261 29.494 29.700 0.091 0.000 0.745 420 E HN 0.535 nan 8.360 nan 0.000 0.458 421 A N 1.589 124.272 122.820 -0.228 0.000 1.883 421 A HA -0.304 4.016 4.320 -0.000 0.000 0.217 421 A C 2.088 179.551 177.584 -0.202 0.000 1.186 421 A CA 1.886 53.652 52.037 -0.452 0.000 0.624 421 A CB -0.591 17.612 19.000 -1.328 0.000 0.822 421 A HN 0.319 nan 8.150 nan 0.000 0.444 422 E N -0.457 119.679 120.200 -0.107 0.000 2.070 422 E HA -0.299 4.051 4.350 -0.000 0.000 0.197 422 E C 1.940 178.587 176.600 0.078 0.000 1.004 422 E CA 1.696 58.121 56.400 0.041 0.000 0.805 422 E CB -0.177 29.539 29.700 0.025 0.000 0.744 422 E HN 0.617 nan 8.360 nan 0.000 0.451 423 E N 0.610 120.841 120.200 0.052 0.000 2.058 423 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 423 E C 1.569 178.214 176.600 0.074 0.000 0.997 423 E CA 1.654 58.095 56.400 0.068 0.000 0.801 423 E CB -0.540 29.209 29.700 0.083 0.000 0.746 423 E HN 0.512 nan 8.360 nan 0.000 0.450 424 W N -0.150 121.068 121.300 -0.137 0.000 2.318 424 W HA -0.287 4.373 4.660 -0.000 0.000 0.313 424 W C 1.419 177.830 176.519 -0.180 0.000 1.221 424 W CA 1.639 58.848 57.345 -0.226 0.000 1.266 424 W CB -0.492 28.684 29.460 -0.474 0.000 1.150 424 W HN 0.229 nan 8.180 nan 0.000 0.496 425 Y N 0.025 120.397 120.300 0.121 0.000 2.373 425 Y HA -0.038 4.512 4.550 -0.000 0.000 0.293 425 Y C 2.543 178.541 175.900 0.164 0.000 1.129 425 Y CA 1.382 59.531 58.100 0.081 0.000 1.226 425 Y CB -0.999 37.476 38.460 0.025 0.000 1.000 425 Y HN -0.114 nan 8.280 nan 0.000 0.549 426 R N 0.091 120.723 120.500 0.219 0.000 2.323 426 R HA 0.096 4.436 4.340 -0.000 0.000 0.198 426 R C 0.854 177.191 176.300 0.062 0.000 0.988 426 R CA 0.622 56.799 56.100 0.129 0.000 1.041 426 R CB -0.398 29.950 30.300 0.080 0.000 0.926 426 R HN 0.388 nan 8.270 nan 0.000 0.476 427 G N 1.345 110.163 108.800 0.030 0.000 2.256 427 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.272 427 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.272 427 G C -0.406 174.403 174.900 -0.152 0.000 1.076 427 G CA 0.141 45.178 45.100 -0.106 0.000 0.882 427 G HN 0.317 nan 8.290 nan 0.000 0.497 428 R N -0.549 119.866 120.500 -0.142 0.000 2.854 428 R HA 0.448 4.788 4.340 -0.000 0.000 0.271 428 R C -0.775 175.492 176.300 -0.055 0.000 0.994 428 R CA -1.147 54.910 56.100 -0.072 0.000 0.945 428 R CB 1.109 31.407 30.300 -0.004 0.000 1.194 428 R HN 0.137 nan 8.270 nan 0.000 0.476 429 D N 0.866 121.286 120.400 0.034 0.000 2.382 429 D HA 0.160 4.800 4.640 -0.000 0.000 0.240 429 D C -0.453 176.005 176.300 0.262 0.000 1.146 429 D CA 0.220 54.285 54.000 0.109 0.000 0.897 429 D CB 1.095 41.987 40.800 0.153 0.000 1.197 429 D HN 0.005 nan 8.370 nan 0.000 0.432 430 V N 2.247 122.287 119.914 0.209 0.000 2.555 430 V HA 0.251 4.371 4.120 -0.000 0.000 0.302 430 V C -0.888 175.298 176.094 0.153 0.000 1.038 430 V CA -0.775 61.693 62.300 0.280 0.000 0.887 430 V CB 1.320 33.293 31.823 0.250 0.000 0.991 430 V HN 0.356 nan 8.190 nan 0.000 0.434 431 Y N 5.080 125.417 120.300 0.061 0.000 2.712 431 Y HA 0.467 5.016 4.550 -0.000 0.000 0.328 431 Y C -2.021 173.915 175.900 0.060 0.000 0.995 431 Y CA -3.013 55.112 58.100 0.040 0.000 1.283 431 Y CB 0.902 39.380 38.460 0.031 0.000 1.092 431 Y HN 0.478 nan 8.280 nan 0.000 0.519 432 P HA 0.126 nan 4.420 nan 0.000 0.275 432 P C 0.319 177.712 177.300 0.155 0.000 1.228 432 P CA -0.265 62.947 63.100 0.188 0.000 0.786 432 P CB 1.605 33.392 31.700 0.145 0.000 0.927 433 Q N 1.467 121.369 119.800 0.170 0.000 2.046 433 Q HA -0.116 4.224 4.340 -0.000 0.000 0.200 433 Q C 1.993 178.069 176.000 0.127 0.000 0.975 433 Q CA 1.881 57.759 55.803 0.124 0.000 0.836 433 Q CB -0.587 28.212 28.738 0.103 0.000 0.896 433 Q HN 0.637 nan 8.270 nan 0.000 0.428 434 A N 1.269 124.206 122.820 0.195 0.000 1.849 434 A HA 0.003 4.323 4.320 -0.000 0.000 0.216 434 A C 1.059 178.722 177.584 0.132 0.000 1.225 434 A CA 2.261 54.430 52.037 0.219 0.000 0.653 434 A CB -0.930 18.334 19.000 0.440 0.000 0.844 434 A HN 0.735 nan 8.150 nan 0.000 0.453 435 A N -1.960 120.895 122.820 0.059 0.000 2.773 435 A HA 0.130 4.450 4.320 -0.000 0.000 0.277 435 A C -1.268 176.236 177.584 -0.134 0.000 1.374 435 A CA 0.078 52.046 52.037 -0.114 0.000 0.725 435 A CB -2.797 16.178 19.000 -0.041 0.000 1.108 435 A HN 0.635 nan 8.150 nan 0.000 0.392 436 P HA 0.224 nan 4.420 nan 0.000 0.273 436 P C 1.256 178.500 177.300 -0.092 0.000 1.252 436 P CA 0.385 63.403 63.100 -0.137 0.000 0.809 436 P CB 0.670 32.233 31.700 -0.229 0.000 1.017 437 V N -0.715 119.172 119.914 -0.044 0.000 2.795 437 V HA 0.153 4.273 4.120 -0.000 0.000 0.243 437 V C 1.027 177.101 176.094 -0.033 0.000 1.069 437 V CA 1.087 63.369 62.300 -0.030 0.000 1.089 437 V CB -0.770 31.048 31.823 -0.008 0.000 0.756 437 V HN 0.750 nan 8.190 nan 0.000 0.471 438 A N 1.213 124.013 122.820 -0.034 0.000 2.587 438 A HA -0.002 4.317 4.320 -0.000 0.000 0.233 438 A C 0.840 178.404 177.584 -0.033 0.000 1.049 438 A CA 0.810 52.831 52.037 -0.027 0.000 0.754 438 A CB -0.167 18.816 19.000 -0.027 0.000 0.977 438 A HN 0.748 nan 8.150 nan 0.000 0.509 439 D N 0.306 120.699 120.400 -0.011 0.000 2.333 439 D HA 0.141 4.781 4.640 -0.000 0.000 0.208 439 D C -0.360 175.946 176.300 0.010 0.000 0.984 439 D CA 0.680 54.677 54.000 -0.005 0.000 0.873 439 D CB 0.100 40.904 40.800 0.007 0.000 0.935 439 D HN 0.492 nan 8.370 nan 0.000 0.521 440 D N -0.250 120.161 120.400 0.019 0.000 2.492 440 D HA 0.385 5.025 4.640 -0.000 0.000 0.248 440 D C -1.433 174.866 176.300 -0.002 0.000 1.101 440 D CA -0.579 53.441 54.000 0.034 0.000 0.840 440 D CB 2.150 42.999 40.800 0.082 0.000 1.209 440 D HN -0.226 nan 8.370 nan 0.000 0.524 441 V N 3.905 123.810 119.914 -0.015 0.000 2.378 441 V HA 0.308 4.428 4.120 -0.000 0.000 0.288 441 V C -0.425 175.641 176.094 -0.046 0.000 1.016 441 V CA -0.896 61.377 62.300 -0.046 0.000 0.840 441 V CB 1.558 33.316 31.823 -0.108 0.000 0.994 441 V HN 0.449 nan 8.190 nan 0.000 0.431 442 L N 7.589 128.787 121.223 -0.041 0.000 2.315 442 L HA 0.439 4.779 4.340 -0.000 0.000 0.283 442 L C -0.217 176.615 176.870 -0.064 0.000 1.089 442 L CA 0.522 55.322 54.840 -0.067 0.000 0.833 442 L CB 1.056 43.075 42.059 -0.066 0.000 1.170 442 L HN 0.469 nan 8.230 nan 0.000 0.442 443 V N 4.351 124.168 119.914 -0.161 0.000 2.333 443 V HA 0.461 4.581 4.120 -0.000 0.000 0.274 443 V C 0.429 176.383 176.094 -0.234 0.000 1.028 443 V CA -0.337 61.835 62.300 -0.214 0.000 0.851 443 V CB 0.773 32.289 31.823 -0.512 0.000 1.000 443 V HN 0.882 nan 8.190 nan 0.000 0.456 444 T N 1.738 116.213 114.554 -0.133 0.000 2.925 444 T HA 0.789 5.138 4.350 -0.000 0.000 0.285 444 T C -0.984 173.675 174.700 -0.069 0.000 1.021 444 T CA -0.611 61.418 62.100 -0.118 0.000 1.042 444 T CB 2.096 70.904 68.868 -0.100 0.000 1.037 444 T HN 0.355 nan 8.240 nan 0.000 0.481 445 F N 1.756 121.570 119.950 -0.227 0.000 2.547 445 F HA 0.417 4.944 4.527 -0.000 0.000 0.316 445 F C 0.529 176.217 175.800 -0.186 0.000 1.121 445 F CA -0.763 57.107 58.000 -0.216 0.000 0.911 445 F CB 1.751 40.672 39.000 -0.131 0.000 1.179 445 F HN 0.903 nan 8.300 nan 0.000 0.443 446 Q N 4.719 123.971 119.800 -0.913 0.000 2.468 446 Q HA -0.313 4.027 4.340 -0.000 0.000 0.256 446 Q C -0.294 175.545 176.000 -0.268 0.000 0.984 446 Q CA 1.390 56.826 55.803 -0.612 0.000 1.110 446 Q CB -2.149 26.309 28.738 -0.467 0.000 1.527 446 Q HN 1.031 nan 8.270 nan 0.000 0.535 447 H N -2.324 116.641 119.070 -0.174 0.000 2.886 447 H HA -0.132 4.424 4.556 -0.000 0.000 0.294 447 H C -0.505 174.779 175.328 -0.074 0.000 1.246 447 H CA 1.194 57.175 56.048 -0.112 0.000 1.142 447 H CB -0.991 28.701 29.762 -0.116 0.000 1.358 447 H HN 0.318 nan 8.280 nan 0.000 0.406 448 Q N 0.681 120.468 119.800 -0.023 0.000 2.340 448 Q HA 0.310 4.650 4.340 -0.000 0.000 0.268 448 Q C -2.581 173.400 176.000 -0.031 0.000 1.031 448 Q CA -2.211 53.590 55.803 -0.003 0.000 0.804 448 Q CB 2.293 31.046 28.738 0.025 0.000 1.286 448 Q HN 0.093 nan 8.270 nan 0.000 0.448 449 P HA 0.017 nan 4.420 nan 0.000 0.260 449 P C 0.129 177.367 177.300 -0.103 0.000 1.185 449 P CA 0.604 63.653 63.100 -0.085 0.000 0.763 449 P CB 0.672 32.325 31.700 -0.078 0.000 0.776 450 I N 1.308 121.764 120.570 -0.189 0.000 4.323 450 I HA 0.286 4.456 4.170 -0.000 0.000 0.328 450 I C 1.073 177.014 176.117 -0.294 0.000 1.310 450 I CA 0.361 61.508 61.300 -0.256 0.000 1.186 450 I CB 0.749 38.505 38.000 -0.407 0.000 1.130 450 I HN 0.518 nan 8.210 nan 0.000 0.411 451 G N 1.292 109.924 108.800 -0.279 0.000 2.328 451 G HA2 0.345 4.304 3.960 -0.000 0.000 0.299 451 G HA3 0.345 4.304 3.960 -0.000 0.000 0.299 451 G C -2.284 172.572 174.900 -0.074 0.000 1.435 451 G CA -0.659 44.425 45.100 -0.028 0.000 0.865 451 G HN -0.106 nan 8.290 nan 0.000 0.601 452 L N 0.759 122.073 121.223 0.152 0.000 2.343 452 L HA 0.886 5.226 4.340 -0.000 0.000 0.278 452 L C 0.235 177.246 176.870 0.235 0.000 0.996 452 L CA -0.221 54.687 54.840 0.113 0.000 0.831 452 L CB 1.384 43.511 42.059 0.112 0.000 1.232 452 L HN 1.401 nan 8.230 nan 0.000 0.413 453 A N 5.043 127.968 122.820 0.176 0.000 2.355 453 A HA 0.752 5.071 4.320 -0.000 0.000 0.324 453 A C -0.997 176.665 177.584 0.131 0.000 1.117 453 A CA -0.852 51.337 52.037 0.253 0.000 0.785 453 A CB 1.167 20.388 19.000 0.369 0.000 1.254 453 A HN 0.563 nan 8.150 nan 0.000 0.453 454 K N 1.949 122.418 120.400 0.116 0.000 2.185 454 K HA 0.253 4.573 4.320 -0.000 0.000 0.271 454 K C 0.717 177.322 176.600 0.009 0.000 1.013 454 K CA -0.526 55.797 56.287 0.060 0.000 0.943 454 K CB 1.575 34.109 32.500 0.056 0.000 0.998 454 K HN 0.830 nan 8.250 nan 0.000 0.468 455 R N 1.774 122.262 120.500 -0.020 0.000 2.113 455 R HA -0.146 4.194 4.340 -0.000 0.000 0.231 455 R C 0.173 176.427 176.300 -0.077 0.000 1.129 455 R CA 1.772 57.834 56.100 -0.064 0.000 0.915 455 R CB -0.634 29.634 30.300 -0.054 0.000 0.837 455 R HN 0.825 nan 8.270 nan 0.000 0.430 456 I N 0.821 121.361 120.570 -0.050 0.000 3.642 456 I HA -0.368 3.802 4.170 -0.000 0.000 0.126 456 I C 1.107 177.180 176.117 -0.073 0.000 1.001 456 I CA 0.817 62.086 61.300 -0.052 0.000 2.743 456 I CB -1.645 36.330 38.000 -0.042 0.000 1.244 456 I HN 0.887 nan 8.210 nan 0.000 0.343 457 G N 3.710 112.476 108.800 -0.056 0.000 3.099 457 G HA2 -0.426 3.534 3.960 -0.000 0.000 0.331 457 G HA3 -0.426 3.534 3.960 -0.000 0.000 0.331 457 G C 0.663 175.514 174.900 -0.081 0.000 1.216 457 G CA 0.749 45.817 45.100 -0.053 0.000 0.977 457 G HN 0.655 nan 8.290 nan 0.000 0.600 458 S N 0.797 116.433 115.700 -0.107 0.000 2.650 458 S HA 0.272 4.742 4.470 -0.000 0.000 0.240 458 S C 1.676 176.098 174.600 -0.298 0.000 1.007 458 S CA 0.875 58.995 58.200 -0.134 0.000 0.984 458 S CB 0.625 63.798 63.200 -0.044 0.000 0.910 458 S HN 0.852 nan 8.310 nan 0.000 0.509 459 R N 0.484 120.765 120.500 -0.366 0.000 2.257 459 R HA 0.331 4.671 4.340 -0.000 0.000 0.195 459 R C -0.596 175.432 176.300 -0.455 0.000 0.921 459 R CA -0.047 55.647 56.100 -0.677 0.000 1.069 459 R CB -0.212 29.703 30.300 -0.642 0.000 1.115 459 R HN 0.090 nan 8.270 nan 0.000 0.571 460 L N 2.905 123.993 121.223 -0.225 0.000 3.177 460 L HA -0.172 4.168 4.340 -0.000 0.000 0.640 460 L C -0.617 176.262 176.870 0.016 0.000 1.018 460 L CA 1.120 55.918 54.840 -0.070 0.000 1.288 460 L CB -0.901 41.135 42.059 -0.038 0.000 1.594 460 L HN 0.518 nan 8.230 nan 0.000 0.796 461 K N 3.400 123.818 120.400 0.031 0.000 2.298 461 K HA 0.202 4.522 4.320 -0.000 0.000 0.280 461 K C 0.683 177.282 176.600 -0.001 0.000 1.032 461 K CA -0.550 55.741 56.287 0.006 0.000 0.958 461 K CB 0.651 33.153 32.500 0.004 0.000 0.978 461 K HN 0.550 nan 8.250 nan 0.000 0.472 462 N N 2.523 121.093 118.700 -0.216 0.000 2.452 462 N HA -0.066 4.673 4.740 -0.000 0.000 0.266 462 N C -0.578 174.698 175.510 -0.392 0.000 1.209 462 N CA 0.320 52.961 53.050 -0.681 0.000 0.929 462 N CB 0.698 38.812 38.487 -0.622 0.000 1.063 462 N HN 0.711 nan 8.380 nan 0.000 0.472 463 S N 3.530 119.043 115.700 -0.310 0.000 2.843 463 S HA 0.056 4.526 4.470 -0.000 0.000 0.249 463 S C -0.140 174.574 174.600 0.189 0.000 1.047 463 S CA -0.763 57.469 58.200 0.054 0.000 1.042 463 S CB -0.538 62.802 63.200 0.233 0.000 0.936 463 S HN 0.584 nan 8.310 nan 0.000 0.531 464 Y N 3.447 123.636 120.300 -0.185 0.000 2.436 464 Y HA 0.387 4.937 4.550 -0.000 0.000 0.336 464 Y C -2.600 173.210 175.900 -0.151 0.000 1.049 464 Y CA -2.365 55.695 58.100 -0.066 0.000 1.294 464 Y CB 0.485 38.816 38.460 -0.216 0.000 1.179 464 Y HN 0.182 nan 8.280 nan 0.000 0.520 465 P HA 0.065 nan 4.420 nan 0.000 0.264 465 P C -0.115 176.894 177.300 -0.484 0.000 1.193 465 P CA 0.282 63.172 63.100 -0.350 0.000 0.763 465 P CB 0.839 32.351 31.700 -0.313 0.000 0.810 466 R N 2.372 122.697 120.500 -0.292 0.000 2.096 466 R HA -0.177 4.163 4.340 -0.000 0.000 0.235 466 R C 1.879 178.036 176.300 -0.238 0.000 1.127 466 R CA 1.640 57.587 56.100 -0.256 0.000 0.968 466 R CB -0.419 29.791 30.300 -0.150 0.000 0.861 466 R HN 0.635 nan 8.270 nan 0.000 0.440 467 E N 0.213 120.300 120.200 -0.189 0.000 2.401 467 E HA -0.230 4.120 4.350 -0.000 0.000 0.204 467 E C 0.896 177.397 176.600 -0.166 0.000 1.036 467 E CA 1.150 57.468 56.400 -0.137 0.000 0.856 467 E CB -0.192 29.457 29.700 -0.085 0.000 0.770 467 E HN 0.393 nan 8.360 nan 0.000 0.527 468 L N 0.378 121.411 121.223 -0.317 0.000 3.086 468 L HA 0.213 4.553 4.340 -0.000 0.000 0.274 468 L C 0.464 177.150 176.870 -0.306 0.000 1.184 468 L CA -0.520 54.139 54.840 -0.303 0.000 1.002 468 L CB 1.476 43.362 42.059 -0.288 0.000 1.383 468 L HN 0.022 nan 8.230 nan 0.000 0.582 469 V N 2.588 122.295 119.914 -0.346 0.000 2.441 469 V HA 0.047 4.167 4.120 -0.000 0.000 0.279 469 V C 0.730 176.867 176.094 0.072 0.000 0.990 469 V CA -0.289 61.963 62.300 -0.081 0.000 1.116 469 V CB 0.127 31.890 31.823 -0.101 0.000 0.977 469 V HN 0.333 nan 8.190 nan 0.000 0.470 470 R N 5.335 125.966 120.500 0.217 0.000 2.537 470 R HA 0.041 4.381 4.340 -0.000 0.000 0.281 470 R C 0.821 177.168 176.300 0.079 0.000 0.988 470 R CA 0.992 57.171 56.100 0.131 0.000 1.077 470 R CB 0.311 30.696 30.300 0.141 0.000 0.932 470 R HN 0.920 nan 8.270 nan 0.000 0.409 471 D N 1.667 122.092 120.400 0.041 0.000 2.240 471 D HA 0.106 4.746 4.640 -0.000 0.000 0.206 471 D C 1.082 177.396 176.300 0.023 0.000 0.963 471 D CA 0.875 54.890 54.000 0.024 0.000 0.863 471 D CB 0.102 40.907 40.800 0.010 0.000 0.973 471 D HN 0.551 nan 8.370 nan 0.000 0.501 472 G N -0.187 108.627 108.800 0.023 0.000 3.157 472 G HA2 0.415 4.375 3.960 -0.000 0.000 0.206 472 G HA3 0.415 4.375 3.960 -0.000 0.000 0.206 472 G C -0.563 174.349 174.900 0.022 0.000 1.903 472 G CA -0.566 44.545 45.100 0.017 0.000 0.771 472 G HN 0.196 nan 8.290 nan 0.000 0.750 473 K N -0.487 119.923 120.400 0.016 0.000 2.267 473 K HA 0.832 5.152 4.320 -0.000 0.000 0.246 473 K C -0.973 175.637 176.600 0.017 0.000 0.954 473 K CA -0.543 55.755 56.287 0.018 0.000 0.824 473 K CB 2.174 34.682 32.500 0.013 0.000 1.167 473 K HN 0.336 nan 8.250 nan 0.000 0.431 474 L N 0.000 121.237 121.223 0.023 0.000 2.949 474 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 474 L CA 0.000 54.854 54.840 0.023 0.000 0.813 474 L CB 0.000 42.082 42.059 0.038 0.000 0.961 474 L HN 0.000 nan 8.230 nan 0.000 0.502