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 1evu_1_B DATA FIRST_RESID 8 DATA SEQUENCE FGGRRAVPPN NSNAAEDDLP TVELQGVVXX XXXXQEFLNV TSVHLFKERW DATA SEQUENCE DTNKVDHHTD KYENNKLIVR RGQSFYVQID FSRPYDPRRD LFRVEYVIGR DATA SEQUENCE YPQENKGTYI PVPIVSELQS GKWGAKIVMR EDRSVRLSIQ SSPKCIVGKF DATA SEQUENCE RMYVAVWTPY GVLRTSRNPE TDTYILFNPW CEDDAVYLDN EKEREEYVLN DATA SEQUENCE DIGVIFYGEV NDIKTRSWSY GQFEDGILDT CLYVMDRAQM DLSGRGNPIK DATA SEQUENCE VSRVGSAMVN AKDDEGVLVG SWDNIYAYGV PPSAWTGSVD ILLEYRSSEN DATA SEQUENCE PVRYGQCWVF AGVFNTFLRC LGIPARIVTN YFSAHDNDAN LQMDIFLEED DATA SEQUENCE GNVNSKLTKD SVWNYHCWNE AWMTRPDLPV GFGGWQAVDS TPQENSDGMY DATA SEQUENCE RCGPASVQAI KHGHVCFQFD APFVFAEVNS DLIYITAKKD GTHVVENVDA DATA SEQUENCE THIGKLIVTK QIGGDGMMDI TDTYKFQEGQ EEERLALETA LMYGAKKPLN DATA SEQUENCE TXXXXXXRSN VDMDFEVENA VLGKDFKLSI TFRNNSHNRY TITAYLSANI DATA SEQUENCE TFYTGVPKAE FKKETFDVTL EPLSFKKEAV LIQAGEYMGQ LLEQASLHFF DATA SEQUENCE VTARINETRD VLAKQKSTVL TIPEIIIKVR GTQVVGSDMT VTVQFTNPLK DATA SEQUENCE ETLRNVWVHL DGPGVTRPMK KMFREIRPNS TVQWEEVCRP WVSGHRKLIA DATA SEQUENCE SMSSDSLRHV YGELDVQIQR 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 8 F HA 0.000 nan 4.527 nan 0.000 0.279 8 F C 0.000 175.791 175.800 -0.015 0.000 0.967 8 F CA 0.000 57.993 58.000 -0.011 0.000 1.383 8 F CB 0.000 38.994 39.000 -0.010 0.000 1.145 9 G N 2.412 110.789 108.800 -0.705 0.000 2.800 9 G HA2 0.472 4.432 3.960 -0.000 0.000 0.340 9 G HA3 0.472 4.432 3.960 -0.000 0.000 0.340 9 G C 0.577 174.702 174.900 -1.293 0.000 1.089 9 G CA -0.116 44.544 45.100 -0.733 0.000 1.144 9 G HN 1.274 nan 8.290 nan 0.000 0.461 10 G N 1.606 109.532 108.800 -1.457 0.000 2.920 10 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.208 10 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.208 10 G C 1.594 176.308 174.900 -0.310 0.000 1.159 10 G CA 0.042 44.643 45.100 -0.832 0.000 0.784 10 G HN 0.557 nan 8.290 nan 0.000 0.535 11 R N 1.053 121.384 120.500 -0.282 0.000 2.093 11 R HA 0.105 4.445 4.340 -0.000 0.000 0.224 11 R C 1.099 177.321 176.300 -0.129 0.000 1.101 11 R CA 0.731 56.737 56.100 -0.156 0.000 0.979 11 R CB -0.026 30.191 30.300 -0.138 0.000 0.877 11 R HN 0.440 nan 8.270 nan 0.000 0.441 12 R N -2.824 117.578 120.500 -0.163 0.000 2.739 12 R HA 0.615 4.955 4.340 -0.000 0.000 0.271 12 R C 0.071 176.295 176.300 -0.127 0.000 1.010 12 R CA -0.199 55.829 56.100 -0.120 0.000 0.897 12 R CB 1.102 31.334 30.300 -0.113 0.000 1.236 12 R HN -0.065 nan 8.270 nan 0.000 0.466 13 A N 1.283 124.058 122.820 -0.076 0.000 1.897 13 A HA 0.051 4.370 4.320 -0.000 0.000 0.215 13 A C 0.806 178.338 177.584 -0.086 0.000 1.181 13 A CA 1.456 53.462 52.037 -0.050 0.000 0.620 13 A CB 0.040 19.035 19.000 -0.008 0.000 0.821 13 A HN 0.409 nan 8.150 nan 0.000 0.443 14 V N 0.246 120.088 119.914 -0.120 0.000 2.540 14 V HA 0.565 4.685 4.120 -0.000 0.000 0.302 14 V C -2.996 172.897 176.094 -0.335 0.000 1.035 14 V CA -2.739 59.431 62.300 -0.218 0.000 0.873 14 V CB 1.772 33.513 31.823 -0.137 0.000 0.992 14 V HN 0.191 nan 8.190 nan 0.000 0.428 15 P HA 0.188 nan 4.420 nan 0.000 0.267 15 P C -2.739 174.309 177.300 -0.421 0.000 1.201 15 P CA -0.725 62.057 63.100 -0.530 0.000 0.775 15 P CB -0.570 30.702 31.700 -0.713 0.000 0.854 16 P HA -0.056 nan 4.420 nan 0.000 0.261 16 P C -0.174 177.145 177.300 0.032 0.000 1.173 16 P CA 0.454 63.512 63.100 -0.070 0.000 0.760 16 P CB -0.040 31.639 31.700 -0.035 0.000 0.783 17 N N 3.442 122.198 118.700 0.093 0.000 2.719 17 N HA 0.052 4.792 4.740 -0.000 0.000 0.243 17 N C -0.049 175.523 175.510 0.102 0.000 1.104 17 N CA -0.252 52.911 53.050 0.188 0.000 0.981 17 N CB -0.801 37.790 38.487 0.174 0.000 1.290 17 N HN 0.303 nan 8.380 nan 0.000 0.513 18 N N 0.040 118.794 118.700 0.089 0.000 2.305 18 N HA 0.103 4.843 4.740 -0.000 0.000 0.248 18 N C -1.058 174.474 175.510 0.036 0.000 1.290 18 N CA -0.500 52.580 53.050 0.050 0.000 0.873 18 N CB 0.286 38.794 38.487 0.036 0.000 1.261 18 N HN 0.087 nan 8.380 nan 0.000 0.504 19 S N -0.516 115.205 115.700 0.035 0.000 2.619 19 S HA 0.358 4.828 4.470 -0.000 0.000 0.280 19 S C -0.066 174.529 174.600 -0.009 0.000 1.150 19 S CA -0.740 57.469 58.200 0.016 0.000 0.978 19 S CB 0.982 64.195 63.200 0.022 0.000 1.041 19 S HN 0.290 nan 8.310 nan 0.000 0.485 20 N N 3.592 122.282 118.700 -0.017 0.000 2.250 20 N HA 0.000 4.740 4.740 -0.000 0.000 0.181 20 N C 1.848 177.332 175.510 -0.044 0.000 1.017 20 N CA 0.999 54.012 53.050 -0.061 0.000 0.866 20 N CB -0.196 38.255 38.487 -0.060 0.000 0.985 20 N HN 0.696 nan 8.380 nan 0.000 0.429 21 A N 0.946 123.766 122.820 0.000 0.000 1.972 21 A HA 0.135 4.455 4.320 -0.000 0.000 0.219 21 A C 1.151 178.727 177.584 -0.013 0.000 1.169 21 A CA 1.090 53.133 52.037 0.010 0.000 0.635 21 A CB -0.742 18.293 19.000 0.059 0.000 0.810 21 A HN 0.445 nan 8.150 nan 0.000 0.446 22 A N 0.149 122.956 122.820 -0.022 0.000 2.425 22 A HA 0.494 4.814 4.320 -0.000 0.000 0.242 22 A C 0.154 177.692 177.584 -0.077 0.000 1.077 22 A CA 0.363 52.370 52.037 -0.049 0.000 0.781 22 A CB 0.001 18.968 19.000 -0.055 0.000 1.020 22 A HN 0.703 nan 8.150 nan 0.000 0.494 23 E N 0.661 120.804 120.200 -0.096 0.000 2.390 23 E HA 0.474 4.823 4.350 -0.000 0.000 0.280 23 E C -1.865 174.662 176.600 -0.121 0.000 0.992 23 E CA -0.941 55.403 56.400 -0.092 0.000 0.790 23 E CB 1.351 31.029 29.700 -0.037 0.000 1.248 23 E HN 0.615 nan 8.360 nan 0.000 0.447 24 D N 1.258 121.583 120.400 -0.125 0.000 2.385 24 D HA 0.327 4.967 4.640 -0.000 0.000 0.254 24 D C -0.853 175.402 176.300 -0.075 0.000 1.053 24 D CA -0.553 53.366 54.000 -0.135 0.000 0.992 24 D CB 0.932 41.633 40.800 -0.165 0.000 1.145 24 D HN 0.370 nan 8.370 nan 0.000 0.523 25 D N -0.191 120.163 120.400 -0.077 0.000 2.198 25 D HA 0.325 4.965 4.640 -0.000 0.000 0.245 25 D C -0.093 176.132 176.300 -0.125 0.000 1.079 25 D CA -0.443 53.519 54.000 -0.063 0.000 0.854 25 D CB 1.330 42.100 40.800 -0.050 0.000 1.148 25 D HN 0.198 nan 8.370 nan 0.000 0.456 26 L N 3.219 124.320 121.223 -0.203 0.000 2.397 26 L HA 0.321 4.661 4.340 -0.000 0.000 0.271 26 L C -1.897 174.846 176.870 -0.212 0.000 1.148 26 L CA -1.822 52.838 54.840 -0.299 0.000 0.825 26 L CB 0.329 42.033 42.059 -0.592 0.000 1.117 26 L HN 0.173 nan 8.230 nan 0.000 0.456 27 P HA 0.043 nan 4.420 nan 0.000 0.268 27 P C 0.608 177.824 177.300 -0.139 0.000 1.204 27 P CA -0.223 62.793 63.100 -0.140 0.000 0.768 27 P CB 0.647 32.261 31.700 -0.144 0.000 0.842 28 T N -1.222 113.279 114.554 -0.089 0.000 3.085 28 T HA 0.095 4.445 4.350 -0.000 0.000 0.263 28 T C 0.504 175.159 174.700 -0.076 0.000 1.127 28 T CA 0.346 62.408 62.100 -0.063 0.000 1.103 28 T CB -0.151 68.702 68.868 -0.025 0.000 0.921 28 T HN 0.182 nan 8.240 nan 0.000 0.510 29 V N 2.372 122.230 119.914 -0.093 0.000 2.624 29 V HA 0.354 4.474 4.120 -0.000 0.000 0.294 29 V C -1.064 174.959 176.094 -0.117 0.000 1.077 29 V CA -1.043 61.197 62.300 -0.101 0.000 0.905 29 V CB 1.777 33.558 31.823 -0.069 0.000 1.025 29 V HN 0.587 nan 8.190 nan 0.000 0.440 30 E N 5.729 125.838 120.200 -0.152 0.000 3.374 30 E HA 0.530 4.879 4.350 -0.000 0.000 0.223 30 E C -0.990 175.521 176.600 -0.149 0.000 1.210 30 E CA -0.573 55.735 56.400 -0.154 0.000 0.987 30 E CB 1.307 30.896 29.700 -0.185 0.000 1.322 30 E HN 0.507 nan 8.360 nan 0.000 0.404 31 L N 1.076 122.236 121.223 -0.106 0.000 2.439 31 L HA 0.453 4.793 4.340 -0.000 0.000 0.259 31 L C 0.227 177.064 176.870 -0.055 0.000 1.129 31 L CA -0.600 54.196 54.840 -0.074 0.000 0.803 31 L CB 1.437 43.465 42.059 -0.052 0.000 1.161 31 L HN 0.511 nan 8.230 nan 0.000 0.462 32 Q N 0.044 119.832 119.800 -0.020 0.000 2.327 32 Q HA 0.488 4.828 4.340 -0.000 0.000 0.265 32 Q C -0.631 175.384 176.000 0.024 0.000 0.993 32 Q CA 0.214 56.010 55.803 -0.012 0.000 0.885 32 Q CB 2.586 31.314 28.738 -0.017 0.000 1.379 32 Q HN 0.902 nan 8.270 nan 0.000 0.408 33 G N 0.677 109.471 108.800 -0.011 0.000 2.217 33 G HA2 -0.024 3.935 3.960 -0.000 0.000 0.126 33 G HA3 -0.024 3.935 3.960 -0.000 0.000 0.126 33 G C -0.447 174.426 174.900 -0.045 0.000 1.293 33 G CA -0.229 44.874 45.100 0.006 0.000 1.219 33 G HN 0.945 nan 8.290 nan 0.000 0.477 34 V N -0.037 119.854 119.914 -0.038 0.000 3.766 34 V HA 0.766 4.885 4.120 -0.000 0.000 0.286 34 V C 1.240 177.162 176.094 -0.288 0.000 1.055 34 V CA 0.659 62.896 62.300 -0.104 0.000 1.060 34 V CB 0.730 32.531 31.823 -0.036 0.000 1.210 34 V HN 2.236 nan 8.190 nan 0.000 0.457 43 E N 0.238 120.496 120.200 0.097 0.000 2.346 43 E HA 0.366 4.716 4.350 -0.000 0.000 0.239 43 E C -0.614 175.967 176.600 -0.031 0.000 0.943 43 E CA -0.121 56.324 56.400 0.074 0.000 0.751 43 E CB 0.411 30.127 29.700 0.026 0.000 1.241 43 E HN 0.366 nan 8.360 nan 0.000 0.423 44 F N 2.341 122.300 119.950 0.016 0.000 2.749 44 F HA 0.362 4.889 4.527 -0.000 0.000 0.300 44 F C -0.338 175.448 175.800 -0.023 0.000 1.103 44 F CA -0.130 57.874 58.000 0.006 0.000 1.342 44 F CB 0.639 39.656 39.000 0.030 0.000 1.098 44 F HN 0.282 nan 8.300 nan 0.000 0.586 45 L N 0.508 121.805 121.223 0.123 0.000 5.710 45 L HA -0.067 4.273 4.340 -0.000 0.000 0.253 45 L C -1.285 175.667 176.870 0.136 0.000 1.230 45 L CA -0.439 54.417 54.840 0.027 0.000 0.673 45 L CB -0.659 41.302 42.059 -0.164 0.000 1.416 45 L HN 0.170 nan 8.230 nan 0.000 0.267 46 N N 1.759 120.570 118.700 0.185 0.000 2.354 46 N HA 0.763 5.503 4.740 -0.000 0.000 0.287 46 N C -0.794 174.882 175.510 0.276 0.000 1.016 46 N CA -0.204 52.965 53.050 0.198 0.000 0.871 46 N CB 2.381 40.943 38.487 0.125 0.000 1.299 46 N HN 0.553 nan 8.380 nan 0.000 0.482 47 V N 2.495 122.523 119.914 0.191 0.000 2.649 47 V HA 0.434 4.553 4.120 -0.000 0.000 0.292 47 V C 0.784 176.857 176.094 -0.035 0.000 1.055 47 V CA 0.479 62.775 62.300 -0.006 0.000 1.023 47 V CB 1.089 32.805 31.823 -0.179 0.000 0.992 47 V HN 0.921 nan 8.190 nan 0.000 0.480 48 T N 1.348 115.851 114.554 -0.085 0.000 2.999 48 T HA 0.361 4.710 4.350 -0.000 0.000 0.247 48 T C 0.689 175.337 174.700 -0.087 0.000 1.012 48 T CA 0.496 62.571 62.100 -0.043 0.000 1.048 48 T CB -0.153 68.713 68.868 -0.003 0.000 1.020 48 T HN 1.506 nan 8.240 nan 0.000 0.478 49 S N -0.481 115.124 115.700 -0.159 0.000 2.611 49 S HA 0.677 5.147 4.470 -0.000 0.000 0.268 49 S C -1.874 172.482 174.600 -0.407 0.000 1.156 49 S CA -0.811 57.238 58.200 -0.251 0.000 0.817 49 S CB 1.831 64.911 63.200 -0.200 0.000 1.122 49 S HN 0.181 nan 8.310 nan 0.000 0.466 50 V N 2.266 121.832 119.914 -0.579 0.000 2.709 50 V HA 0.615 4.735 4.120 -0.000 0.000 0.308 50 V C -1.288 174.318 176.094 -0.814 0.000 1.062 50 V CA -0.463 61.522 62.300 -0.524 0.000 0.901 50 V CB 1.891 33.530 31.823 -0.307 0.000 1.003 50 V HN 0.984 nan 8.190 nan 0.000 0.425 51 H N 5.350 124.267 119.070 -0.254 0.000 2.600 51 H HA 0.518 5.074 4.556 -0.000 0.000 0.357 51 H C -0.141 174.919 175.328 -0.446 0.000 1.106 51 H CA -0.534 55.271 56.048 -0.404 0.000 1.193 51 H CB 2.677 32.055 29.762 -0.640 0.000 1.594 51 H HN 0.454 nan 8.280 nan 0.000 0.526 52 L N 1.977 123.054 121.223 -0.244 0.000 2.858 52 L HA 0.124 4.464 4.340 -0.000 0.000 0.251 52 L C -0.271 176.656 176.870 0.095 0.000 1.149 52 L CA -0.110 54.711 54.840 -0.032 0.000 0.955 52 L CB 0.269 42.331 42.059 0.006 0.000 1.289 52 L HN 0.477 nan 8.230 nan 0.000 0.542 53 F N 1.698 121.687 119.950 0.065 0.000 2.866 53 F HA -0.279 4.248 4.527 -0.000 0.000 0.254 53 F C 1.294 177.036 175.800 -0.097 0.000 1.009 53 F CA 1.020 59.019 58.000 -0.002 0.000 0.907 53 F CB -1.470 37.569 39.000 0.066 0.000 0.859 53 F HN 0.308 nan 8.300 nan 0.000 0.842 54 K N -0.958 119.426 120.400 -0.027 0.000 2.373 54 K HA 0.206 4.525 4.320 -0.000 0.000 0.202 54 K C 0.317 176.798 176.600 -0.199 0.000 1.025 54 K CA -0.303 55.927 56.287 -0.095 0.000 1.115 54 K CB 0.695 33.150 32.500 -0.076 0.000 0.858 54 K HN 0.148 nan 8.250 nan 0.000 0.525 55 E N 1.833 121.818 120.200 -0.358 0.000 2.408 55 E HA 0.062 4.412 4.350 -0.000 0.000 0.259 55 E C 0.585 176.803 176.600 -0.637 0.000 1.110 55 E CA -0.003 56.051 56.400 -0.576 0.000 0.929 55 E CB 0.802 29.834 29.700 -1.113 0.000 0.971 55 E HN 0.170 nan 8.360 nan 0.000 0.438 56 R N 1.197 121.415 120.500 -0.470 0.000 2.240 56 R HA -0.011 4.329 4.340 -0.000 0.000 0.203 56 R C 1.799 178.007 176.300 -0.153 0.000 1.011 56 R CA 0.609 56.578 56.100 -0.219 0.000 1.007 56 R CB 0.098 30.364 30.300 -0.057 0.000 0.911 56 R HN 0.676 nan 8.270 nan 0.000 0.468 57 W N 0.257 121.570 121.300 0.021 0.000 3.003 57 W HA 0.198 4.858 4.660 -0.000 0.000 0.257 57 W C 0.138 176.666 176.519 0.016 0.000 1.308 57 W CA -0.637 56.716 57.345 0.012 0.000 1.529 57 W CB -0.307 29.163 29.460 0.016 0.000 1.115 57 W HN -0.211 nan 8.180 nan 0.000 0.659 58 D N 1.563 121.722 120.400 -0.401 0.000 2.433 58 D HA 0.016 4.656 4.640 -0.000 0.000 0.255 58 D C 1.771 178.045 176.300 -0.044 0.000 1.226 58 D CA 1.222 55.105 54.000 -0.194 0.000 1.015 58 D CB 1.835 42.285 40.800 -0.584 0.000 1.091 58 D HN -0.110 nan 8.370 nan 0.000 0.527 59 T N -1.288 113.281 114.554 0.024 0.000 2.985 59 T HA -0.074 4.276 4.350 -0.000 0.000 0.266 59 T C 1.396 176.115 174.700 0.032 0.000 1.076 59 T CA 0.635 62.759 62.100 0.040 0.000 1.135 59 T CB -0.057 68.864 68.868 0.088 0.000 0.890 59 T HN 0.179 nan 8.240 nan 0.000 0.480 60 N N 2.030 120.756 118.700 0.044 0.000 2.013 60 N HA -0.039 4.700 4.740 -0.000 0.000 0.195 60 N C 1.895 177.390 175.510 -0.026 0.000 1.051 60 N CA 1.515 54.588 53.050 0.039 0.000 0.851 60 N CB -0.261 38.238 38.487 0.021 0.000 1.044 60 N HN 0.541 nan 8.380 nan 0.000 0.422 61 K N 0.331 120.674 120.400 -0.094 0.000 2.097 61 K HA 0.002 4.322 4.320 -0.000 0.000 0.205 61 K C 2.037 178.563 176.600 -0.123 0.000 1.050 61 K CA 0.622 56.847 56.287 -0.104 0.000 0.938 61 K CB -0.159 32.272 32.500 -0.114 0.000 0.718 61 K HN -0.020 nan 8.250 nan 0.000 0.442 62 V N 2.190 122.029 119.914 -0.125 0.000 2.307 62 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 62 V C 1.423 177.313 176.094 -0.340 0.000 1.045 62 V CA 1.937 64.133 62.300 -0.174 0.000 1.024 62 V CB -0.353 31.419 31.823 -0.084 0.000 0.651 62 V HN 0.260 nan 8.190 nan 0.000 0.449 63 D N -1.539 118.711 120.400 -0.250 0.000 2.277 63 D HA -0.077 4.562 4.640 -0.000 0.000 0.208 63 D C 1.910 177.819 176.300 -0.652 0.000 0.962 63 D CA 0.889 54.654 54.000 -0.392 0.000 0.865 63 D CB -0.247 40.442 40.800 -0.186 0.000 0.939 63 D HN 0.524 nan 8.370 nan 0.000 0.510 64 H N 0.072 118.856 119.070 -0.476 0.000 2.539 64 H HA 0.034 4.589 4.556 -0.000 0.000 0.267 64 H C -0.033 175.040 175.328 -0.425 0.000 0.982 64 H CA 0.334 56.165 56.048 -0.361 0.000 1.146 64 H CB 0.204 29.856 29.762 -0.184 0.000 1.382 64 H HN 0.311 nan 8.280 nan 0.000 0.577 65 H N 0.223 119.100 119.070 -0.321 0.000 2.756 65 H HA -0.118 4.438 4.556 -0.000 0.000 0.315 65 H C 0.714 175.970 175.328 -0.120 0.000 1.210 65 H CA 1.099 56.923 56.048 -0.375 0.000 1.150 65 H CB -2.225 26.986 29.762 -0.918 0.000 1.463 65 H HN 0.500 nan 8.280 nan 0.000 0.427 66 T N -3.598 110.963 114.554 0.011 0.000 3.111 66 T HA 0.007 4.357 4.350 -0.000 0.000 0.284 66 T C 1.218 175.998 174.700 0.133 0.000 0.983 66 T CA 0.191 62.411 62.100 0.200 0.000 0.900 66 T CB 0.475 69.420 68.868 0.128 0.000 1.132 66 T HN 0.400 nan 8.240 nan 0.000 0.531 67 D N 2.030 122.407 120.400 -0.038 0.000 2.317 67 D HA -0.056 4.584 4.640 -0.000 0.000 0.211 67 D C 1.471 177.710 176.300 -0.100 0.000 0.966 67 D CA 0.343 54.307 54.000 -0.059 0.000 0.876 67 D CB -0.001 40.752 40.800 -0.077 0.000 0.927 67 D HN 0.368 nan 8.370 nan 0.000 0.519 68 K N -0.423 119.803 120.400 -0.291 0.000 2.366 68 K HA -0.026 4.293 4.320 -0.000 0.000 0.198 68 K C 0.068 176.518 176.600 -0.250 0.000 1.044 68 K CA 0.087 56.100 56.287 -0.457 0.000 0.973 68 K CB -0.108 31.702 32.500 -1.151 0.000 0.767 68 K HN 0.156 nan 8.250 nan 0.000 0.475 69 Y N 2.458 122.713 120.300 -0.075 0.000 2.526 69 Y HA -0.057 4.493 4.550 -0.000 0.000 0.330 69 Y C 0.673 176.610 175.900 0.061 0.000 1.156 69 Y CA -0.022 58.149 58.100 0.118 0.000 1.419 69 Y CB 0.407 38.910 38.460 0.071 0.000 1.250 69 Y HN -0.068 nan 8.280 nan 0.000 0.540 70 E N 4.177 124.523 120.200 0.243 0.000 1.842 70 E HA 0.031 4.381 4.350 -0.000 0.000 0.278 70 E C -0.613 176.044 176.600 0.095 0.000 1.171 70 E CA 0.022 56.506 56.400 0.141 0.000 1.127 70 E CB -0.437 29.325 29.700 0.104 0.000 1.100 70 E HN 0.462 nan 8.360 nan 0.000 0.456 71 N N 2.307 121.052 118.700 0.074 0.000 2.718 71 N HA -0.024 4.715 4.740 -0.000 0.000 0.260 71 N C -0.199 175.323 175.510 0.020 0.000 1.089 71 N CA -0.248 52.822 53.050 0.033 0.000 1.021 71 N CB 0.840 39.308 38.487 -0.031 0.000 1.618 71 N HN 0.091 nan 8.380 nan 0.000 0.554 72 N N 1.744 120.459 118.700 0.025 0.000 2.336 72 N HA 0.009 4.749 4.740 -0.000 0.000 0.189 72 N C -0.178 175.340 175.510 0.014 0.000 1.113 72 N CA 0.288 53.345 53.050 0.012 0.000 0.858 72 N CB 0.320 38.814 38.487 0.011 0.000 0.970 72 N HN 0.314 nan 8.380 nan 0.000 0.471 73 K N 0.648 121.080 120.400 0.053 0.000 2.098 73 K HA 0.201 4.521 4.320 -0.000 0.000 0.244 73 K C -0.128 176.492 176.600 0.034 0.000 1.014 73 K CA -1.004 55.328 56.287 0.076 0.000 0.917 73 K CB 1.072 33.710 32.500 0.229 0.000 1.072 73 K HN 0.113 nan 8.250 nan 0.000 0.477 74 L N 1.935 123.159 121.223 0.002 0.000 2.462 74 L HA 0.191 4.531 4.340 -0.000 0.000 0.272 74 L C -0.522 176.311 176.870 -0.062 0.000 1.166 74 L CA 0.726 55.519 54.840 -0.078 0.000 0.880 74 L CB -0.119 41.860 42.059 -0.134 0.000 1.142 74 L HN 0.409 nan 8.230 nan 0.000 0.473 75 I N 6.586 127.060 120.570 -0.160 0.000 2.468 75 I HA 0.384 4.554 4.170 -0.000 0.000 0.284 75 I C -0.485 175.464 176.117 -0.279 0.000 1.038 75 I CA -0.656 60.533 61.300 -0.185 0.000 1.083 75 I CB 1.680 39.500 38.000 -0.300 0.000 1.223 75 I HN 0.526 nan 8.210 nan 0.000 0.443 76 V N 3.008 122.713 119.914 -0.350 0.000 3.158 76 V HA 0.689 4.808 4.120 -0.000 0.000 0.315 76 V C -0.388 175.669 176.094 -0.063 0.000 1.148 76 V CA -0.980 61.058 62.300 -0.437 0.000 1.042 76 V CB 2.091 33.342 31.823 -0.953 0.000 1.101 76 V HN 0.626 nan 8.190 nan 0.000 0.448 77 R N 0.902 121.577 120.500 0.291 0.000 2.514 77 R HA 0.530 4.869 4.340 -0.000 0.000 0.301 77 R C -0.263 176.117 176.300 0.135 0.000 0.962 77 R CA -0.864 55.364 56.100 0.213 0.000 0.882 77 R CB 1.998 32.460 30.300 0.270 0.000 1.143 77 R HN 0.966 nan 8.270 nan 0.000 0.452 78 R N 0.464 120.981 120.500 0.029 0.000 2.698 78 R HA 0.173 4.513 4.340 -0.000 0.000 0.266 78 R C 0.472 176.741 176.300 -0.052 0.000 1.026 78 R CA 0.646 56.705 56.100 -0.068 0.000 1.102 78 R CB 0.115 30.354 30.300 -0.103 0.000 0.978 78 R HN 0.816 nan 8.270 nan 0.000 0.436 79 G N 0.220 108.921 108.800 -0.164 0.000 2.143 79 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.249 79 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.249 79 G C -0.157 174.680 174.900 -0.105 0.000 0.981 79 G CA 0.576 45.589 45.100 -0.145 0.000 0.665 79 G HN 0.807 nan 8.290 nan 0.000 0.528 80 Q N 0.438 120.199 119.800 -0.064 0.000 2.372 80 Q HA 0.621 4.961 4.340 -0.000 0.000 0.273 80 Q C 0.413 176.444 176.000 0.052 0.000 1.078 80 Q CA -0.089 55.683 55.803 -0.052 0.000 0.806 80 Q CB 1.632 30.261 28.738 -0.181 0.000 1.332 80 Q HN 0.699 nan 8.270 nan 0.000 0.435 81 S N 2.479 118.155 115.700 -0.040 0.000 2.576 81 S HA 0.565 5.035 4.470 -0.000 0.000 0.276 81 S C -0.337 174.313 174.600 0.083 0.000 1.339 81 S CA -0.450 57.699 58.200 -0.084 0.000 1.039 81 S CB 0.131 63.195 63.200 -0.226 0.000 0.902 81 S HN 0.458 nan 8.310 nan 0.000 0.516 82 F N -1.115 118.735 119.950 -0.167 0.000 2.629 82 F HA 0.773 5.300 4.527 -0.000 0.000 0.316 82 F C -1.616 174.024 175.800 -0.267 0.000 1.081 82 F CA -1.886 55.962 58.000 -0.253 0.000 0.954 82 F CB 0.620 39.475 39.000 -0.242 0.000 1.337 82 F HN 0.450 nan 8.300 nan 0.000 0.474 83 Y N 1.549 121.973 120.300 0.206 0.000 2.361 83 Y HA 0.658 5.207 4.550 -0.000 0.000 0.332 83 Y C 0.180 176.326 175.900 0.409 0.000 1.101 83 Y CA -1.188 57.008 58.100 0.161 0.000 1.137 83 Y CB 1.748 40.234 38.460 0.043 0.000 1.207 83 Y HN 0.707 nan 8.280 nan 0.000 0.463 84 V N 0.502 120.725 119.914 0.514 0.000 3.130 84 V HA 0.698 4.818 4.120 -0.000 0.000 0.310 84 V C -1.282 175.051 176.094 0.398 0.000 1.158 84 V CA -1.072 61.498 62.300 0.449 0.000 1.029 84 V CB 2.065 34.057 31.823 0.281 0.000 1.057 84 V HN 0.787 nan 8.190 nan 0.000 0.436 85 Q N 1.779 121.709 119.800 0.218 0.000 2.310 85 Q HA 0.704 5.044 4.340 -0.000 0.000 0.270 85 Q C -1.844 174.158 176.000 0.004 0.000 1.025 85 Q CA -0.687 55.217 55.803 0.169 0.000 0.772 85 Q CB 2.095 30.968 28.738 0.225 0.000 1.253 85 Q HN 0.879 nan 8.270 nan 0.000 0.450 86 I N 3.614 124.138 120.570 -0.077 0.000 2.330 86 I HA 0.257 4.426 4.170 -0.000 0.000 0.289 86 I C -0.872 174.982 176.117 -0.439 0.000 1.001 86 I CA -0.795 60.293 61.300 -0.352 0.000 1.193 86 I CB 1.515 39.188 38.000 -0.544 0.000 1.345 86 I HN 0.552 nan 8.210 nan 0.000 0.461 87 D N 7.291 127.496 120.400 -0.326 0.000 2.380 87 D HA 0.287 4.926 4.640 -0.000 0.000 0.230 87 D C -0.260 175.862 176.300 -0.297 0.000 1.154 87 D CA 0.085 53.971 54.000 -0.190 0.000 0.859 87 D CB 0.518 41.306 40.800 -0.020 0.000 1.045 87 D HN 0.062 nan 8.370 nan 0.000 0.495 88 F N 0.509 120.444 119.950 -0.024 0.000 2.378 88 F HA 0.090 4.617 4.527 -0.001 0.000 0.319 88 F C 2.213 178.012 175.800 -0.002 0.000 1.155 88 F CA -0.704 57.278 58.000 -0.030 0.000 1.157 88 F CB 0.673 39.646 39.000 -0.044 0.000 1.252 88 F HN 0.203 nan 8.300 nan 0.000 0.550 89 S N 0.146 115.987 115.700 0.234 0.000 2.447 89 S HA -0.022 4.448 4.470 -0.000 0.000 0.233 89 S C 0.372 175.036 174.600 0.106 0.000 1.006 89 S CA 0.548 58.824 58.200 0.127 0.000 0.957 89 S CB -0.421 62.842 63.200 0.104 0.000 0.773 89 S HN 0.712 nan 8.310 nan 0.000 0.507 90 R N -0.930 119.643 120.500 0.121 0.000 2.752 90 R HA 0.672 5.012 4.340 -0.000 0.000 0.271 90 R C -3.731 172.623 176.300 0.091 0.000 1.026 90 R CA -2.232 53.915 56.100 0.079 0.000 0.901 90 R CB -0.830 29.486 30.300 0.027 0.000 1.243 90 R HN -0.148 nan 8.270 nan 0.000 0.463 91 P HA -0.053 nan 4.420 nan 0.000 0.263 91 P C -1.058 176.261 177.300 0.032 0.000 1.195 91 P CA 0.085 63.237 63.100 0.086 0.000 0.762 91 P CB -0.059 31.676 31.700 0.057 0.000 0.799 92 Y N 3.445 123.712 120.300 -0.056 0.000 2.805 92 Y HA 0.040 4.589 4.550 -0.000 0.000 0.337 92 Y C 0.283 176.150 175.900 -0.055 0.000 1.252 92 Y CA 0.664 58.665 58.100 -0.165 0.000 1.515 92 Y CB 0.266 38.676 38.460 -0.083 0.000 1.305 92 Y HN 0.325 nan 8.280 nan 0.000 0.600 93 D N 8.244 128.118 120.400 -0.877 0.000 2.330 93 D HA 0.212 4.852 4.640 -0.000 0.000 0.249 93 D C -2.235 173.622 176.300 -0.738 0.000 1.306 93 D CA -1.877 51.760 54.000 -0.604 0.000 0.956 93 D CB 1.475 42.096 40.800 -0.297 0.000 1.261 93 D HN 0.360 nan 8.370 nan 0.000 0.544 94 P HA -0.123 nan 4.420 nan 0.000 0.226 94 P C 1.168 178.357 177.300 -0.186 0.000 1.146 94 P CA 0.582 63.431 63.100 -0.417 0.000 0.773 94 P CB 0.503 32.121 31.700 -0.136 0.000 0.772 95 R N 0.330 120.721 120.500 -0.183 0.000 2.075 95 R HA -0.046 4.293 4.340 -0.000 0.000 0.232 95 R C 2.479 178.726 176.300 -0.087 0.000 1.126 95 R CA 1.458 57.494 56.100 -0.107 0.000 0.963 95 R CB -0.245 29.996 30.300 -0.098 0.000 0.858 95 R HN 0.321 nan 8.270 nan 0.000 0.435 96 R N -0.726 119.706 120.500 -0.113 0.000 2.513 96 R HA 0.204 4.544 4.340 -0.000 0.000 0.245 96 R C -0.567 175.723 176.300 -0.016 0.000 0.908 96 R CA -0.148 55.912 56.100 -0.067 0.000 1.023 96 R CB 0.342 30.584 30.300 -0.096 0.000 1.338 96 R HN -0.014 nan 8.270 nan 0.000 0.575 97 D N 2.166 122.544 120.400 -0.036 0.000 2.210 97 D HA 0.276 4.916 4.640 -0.000 0.000 0.249 97 D C -0.777 175.658 176.300 0.226 0.000 1.078 97 D CA -0.228 53.833 54.000 0.100 0.000 0.875 97 D CB 2.510 43.351 40.800 0.069 0.000 1.175 97 D HN 0.037 nan 8.370 nan 0.000 0.440 98 L N 3.483 124.875 121.223 0.282 0.000 2.349 98 L HA 0.516 4.855 4.340 -0.000 0.000 0.278 98 L C -1.327 175.789 176.870 0.410 0.000 0.996 98 L CA -0.732 54.259 54.840 0.251 0.000 0.825 98 L CB 0.545 42.676 42.059 0.120 0.000 1.243 98 L HN 0.368 nan 8.230 nan 0.000 0.412 99 F N 3.052 123.101 119.950 0.164 0.000 2.685 99 F HA 0.838 5.365 4.527 -0.000 0.000 0.315 99 F C -1.379 174.496 175.800 0.125 0.000 1.126 99 F CA -1.050 57.080 58.000 0.218 0.000 0.950 99 F CB 1.656 40.798 39.000 0.236 0.000 1.360 99 F HN 0.313 nan 8.300 nan 0.000 0.469 100 R N 1.227 121.846 120.500 0.198 0.000 2.594 100 R HA 0.584 4.924 4.340 -0.000 0.000 0.265 100 R C -1.867 174.540 176.300 0.178 0.000 1.070 100 R CA -1.055 55.027 56.100 -0.031 0.000 0.909 100 R CB 2.509 32.776 30.300 -0.054 0.000 1.243 100 R HN 0.654 nan 8.270 nan 0.000 0.455 101 V N 2.143 122.087 119.914 0.050 0.000 2.715 101 V HA 0.139 4.259 4.120 -0.000 0.000 0.299 101 V C 0.148 176.161 176.094 -0.135 0.000 1.054 101 V CA 0.193 62.477 62.300 -0.027 0.000 1.077 101 V CB 1.148 32.936 31.823 -0.057 0.000 0.972 101 V HN 0.689 nan 8.190 nan 0.000 0.484 102 E N 2.541 122.625 120.200 -0.194 0.000 2.238 102 E HA 0.559 4.909 4.350 -0.000 0.000 0.267 102 E C -1.828 174.536 176.600 -0.394 0.000 0.887 102 E CA -0.597 55.685 56.400 -0.195 0.000 0.769 102 E CB 2.219 31.984 29.700 0.109 0.000 1.187 102 E HN 0.609 nan 8.360 nan 0.000 0.416 103 Y N 0.670 120.867 120.300 -0.171 0.000 2.376 103 Y HA 0.478 5.028 4.550 -0.001 0.000 0.340 103 Y C -0.493 175.490 175.900 0.139 0.000 0.965 103 Y CA -0.920 57.144 58.100 -0.061 0.000 1.078 103 Y CB 2.035 40.265 38.460 -0.382 0.000 1.193 103 Y HN 0.278 nan 8.280 nan 0.000 0.452 104 V N 5.393 125.618 119.914 0.519 0.000 2.841 104 V HA 0.772 4.891 4.120 -0.000 0.000 0.310 104 V C -1.736 174.534 176.094 0.293 0.000 1.090 104 V CA -0.755 61.798 62.300 0.421 0.000 0.930 104 V CB 1.908 33.956 31.823 0.376 0.000 1.014 104 V HN 0.797 nan 8.190 nan 0.000 0.425 105 I N 5.052 125.692 120.570 0.116 0.000 2.722 105 I HA 0.858 5.027 4.170 -0.000 0.000 0.295 105 I C 0.180 176.256 176.117 -0.068 0.000 1.161 105 I CA 0.658 61.873 61.300 -0.143 0.000 1.032 105 I CB 1.868 39.499 38.000 -0.615 0.000 1.244 105 I HN 1.559 nan 8.210 nan 0.000 0.421 106 G N 5.480 114.228 108.800 -0.087 0.000 2.795 106 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.664 106 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.664 106 G C -0.050 174.785 174.900 -0.109 0.000 1.381 106 G CA 0.238 45.300 45.100 -0.062 0.000 0.853 106 G HN 0.940 nan 8.290 nan 0.000 0.545 107 R N -1.043 119.327 120.500 -0.216 0.000 2.210 107 R HA 0.218 4.558 4.340 -0.000 0.000 0.203 107 R C 0.422 176.294 176.300 -0.714 0.000 1.010 107 R CA 0.956 56.745 56.100 -0.519 0.000 1.008 107 R CB 0.029 29.880 30.300 -0.749 0.000 0.923 107 R HN 0.566 nan 8.270 nan 0.000 0.469 108 Y N 1.513 121.812 120.300 -0.001 0.000 2.525 108 Y HA 0.400 4.950 4.550 -0.000 0.000 0.365 108 Y C -2.292 173.616 175.900 0.014 0.000 0.929 108 Y CA -3.163 54.937 58.100 -0.001 0.000 1.196 108 Y CB 0.601 39.059 38.460 -0.003 0.000 1.232 108 Y HN 0.023 nan 8.280 nan 0.000 0.613 109 P HA 0.154 nan 4.420 nan 0.000 0.275 109 P C -0.635 176.741 177.300 0.127 0.000 1.227 109 P CA 0.031 63.205 63.100 0.122 0.000 0.781 109 P CB 1.526 33.306 31.700 0.134 0.000 0.906 110 Q N 0.350 120.247 119.800 0.161 0.000 2.377 110 Q HA 0.135 4.475 4.340 -0.000 0.000 0.279 110 Q C 0.710 176.833 176.000 0.204 0.000 1.049 110 Q CA -0.560 55.331 55.803 0.147 0.000 0.825 110 Q CB 2.348 31.148 28.738 0.104 0.000 1.401 110 Q HN 0.466 nan 8.270 nan 0.000 0.404 111 E N 1.276 121.621 120.200 0.242 0.000 2.072 111 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 111 E C 1.113 177.793 176.600 0.133 0.000 0.985 111 E CA 1.821 58.359 56.400 0.229 0.000 0.801 111 E CB 0.248 30.114 29.700 0.276 0.000 0.750 111 E HN 0.615 nan 8.360 nan 0.000 0.452 112 N N 0.260 119.029 118.700 0.114 0.000 2.571 112 N HA -0.113 4.627 4.740 -0.000 0.000 0.189 112 N C 0.701 176.264 175.510 0.088 0.000 1.154 112 N CA 0.609 53.712 53.050 0.088 0.000 0.907 112 N CB 0.201 38.731 38.487 0.071 0.000 0.977 112 N HN 0.029 nan 8.380 nan 0.000 0.449 113 K N -0.804 119.656 120.400 0.100 0.000 2.358 113 K HA 0.265 4.585 4.320 -0.000 0.000 0.197 113 K C 0.972 177.642 176.600 0.117 0.000 1.025 113 K CA 0.430 56.776 56.287 0.099 0.000 1.104 113 K CB 0.221 32.779 32.500 0.096 0.000 0.855 113 K HN 0.324 nan 8.250 nan 0.000 0.531 114 G N 1.688 110.563 108.800 0.126 0.000 2.176 114 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.253 114 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.253 114 G C 0.871 175.882 174.900 0.184 0.000 0.979 114 G CA 1.069 46.257 45.100 0.147 0.000 0.641 114 G HN 0.366 nan 8.290 nan 0.000 0.530 115 T N -3.533 111.129 114.554 0.179 0.000 3.023 115 T HA 0.444 4.794 4.350 -0.000 0.000 0.253 115 T C 0.469 175.321 174.700 0.253 0.000 1.038 115 T CA 0.662 62.885 62.100 0.205 0.000 0.962 115 T CB 0.487 69.440 68.868 0.141 0.000 1.018 115 T HN 0.851 nan 8.240 nan 0.000 0.521 116 Y N 1.746 122.103 120.300 0.094 0.000 2.334 116 Y HA 0.663 5.213 4.550 -0.000 0.000 0.336 116 Y C -1.294 174.610 175.900 0.007 0.000 0.960 116 Y CA -2.778 55.358 58.100 0.061 0.000 1.164 116 Y CB 0.757 39.238 38.460 0.035 0.000 1.155 116 Y HN 0.121 nan 8.280 nan 0.000 0.478 117 I N 9.988 130.196 120.570 -0.603 0.000 2.466 117 I HA 0.315 4.485 4.170 -0.000 0.000 0.279 117 I C -2.547 173.071 176.117 -0.832 0.000 1.033 117 I CA -2.100 58.776 61.300 -0.707 0.000 1.123 117 I CB 1.796 39.321 38.000 -0.791 0.000 1.237 117 I HN 0.463 nan 8.210 nan 0.000 0.460 118 P HA 0.142 nan 4.420 nan 0.000 0.281 118 P C -0.468 176.638 177.300 -0.323 0.000 1.286 118 P CA -0.151 62.666 63.100 -0.473 0.000 0.772 118 P CB 1.313 32.843 31.700 -0.284 0.000 0.862 119 V N 6.964 126.732 119.914 -0.243 0.000 2.334 119 V HA 0.254 4.374 4.120 -0.000 0.000 0.267 119 V C -1.854 174.168 176.094 -0.120 0.000 1.040 119 V CA -1.970 60.259 62.300 -0.118 0.000 0.866 119 V CB 0.978 32.794 31.823 -0.011 0.000 1.019 119 V HN 0.512 nan 8.190 nan 0.000 0.468 120 P HA 0.229 nan 4.420 nan 0.000 0.281 120 P C -0.230 176.971 177.300 -0.165 0.000 1.252 120 P CA -0.400 62.599 63.100 -0.168 0.000 0.778 120 P CB 0.772 32.391 31.700 -0.136 0.000 0.895 121 I N 4.054 124.469 120.570 -0.259 0.000 2.752 121 I HA -0.005 4.164 4.170 -0.000 0.000 0.286 121 I C 0.957 176.993 176.117 -0.135 0.000 1.180 121 I CA 0.331 61.487 61.300 -0.239 0.000 1.404 121 I CB -0.139 37.649 38.000 -0.353 0.000 1.389 121 I HN 0.163 nan 8.210 nan 0.000 0.549 122 V N 6.734 126.597 119.914 -0.086 0.000 2.960 122 V HA 0.373 4.493 4.120 -0.000 0.000 0.315 122 V C 1.150 177.226 176.094 -0.029 0.000 1.087 122 V CA 0.116 62.384 62.300 -0.052 0.000 0.982 122 V CB 2.373 34.171 31.823 -0.041 0.000 1.039 122 V HN 0.910 nan 8.190 nan 0.000 0.437 123 S N 2.974 118.664 115.700 -0.017 0.000 2.387 123 S HA 0.101 4.571 4.470 -0.000 0.000 0.226 123 S C 0.500 175.098 174.600 -0.002 0.000 1.026 123 S CA 0.814 59.012 58.200 -0.002 0.000 0.972 123 S CB -0.051 63.149 63.200 0.001 0.000 0.814 123 S HN 0.755 nan 8.310 nan 0.000 0.477 124 E N -0.135 120.059 120.200 -0.009 0.000 2.314 124 E HA 0.616 4.966 4.350 -0.000 0.000 0.272 124 E C -1.043 175.545 176.600 -0.019 0.000 0.884 124 E CA -0.628 55.766 56.400 -0.010 0.000 0.753 124 E CB 1.612 31.307 29.700 -0.008 0.000 1.213 124 E HN 0.356 nan 8.360 nan 0.000 0.432 125 L N 2.019 123.227 121.223 -0.025 0.000 2.499 125 L HA 0.179 4.518 4.340 -0.000 0.000 0.281 125 L C 0.518 177.367 176.870 -0.034 0.000 1.234 125 L CA 0.245 55.063 54.840 -0.037 0.000 0.839 125 L CB 0.203 42.229 42.059 -0.055 0.000 1.104 125 L HN 0.324 nan 8.230 nan 0.000 0.500 126 Q N 1.425 121.202 119.800 -0.038 0.000 2.337 126 Q HA 0.218 4.558 4.340 -0.000 0.000 0.270 126 Q C -0.819 175.153 176.000 -0.046 0.000 1.043 126 Q CA -0.481 55.302 55.803 -0.033 0.000 0.794 126 Q CB 2.280 31.005 28.738 -0.022 0.000 1.281 126 Q HN 0.702 nan 8.270 nan 0.000 0.446 127 S N 1.463 117.136 115.700 -0.045 0.000 2.498 127 S HA 0.396 4.866 4.470 -0.000 0.000 0.281 127 S C 0.978 175.546 174.600 -0.054 0.000 1.265 127 S CA 1.071 59.238 58.200 -0.056 0.000 1.071 127 S CB 0.207 63.378 63.200 -0.049 0.000 0.894 127 S HN 1.004 nan 8.310 nan 0.000 0.491 128 G N 3.354 112.111 108.800 -0.073 0.000 2.176 128 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.253 128 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.253 128 G C -0.158 174.706 174.900 -0.059 0.000 0.979 128 G CA 0.318 45.379 45.100 -0.065 0.000 0.641 128 G HN 0.834 nan 8.290 nan 0.000 0.530 129 K N -0.958 119.406 120.400 -0.060 0.000 2.375 129 K HA 0.463 4.783 4.320 -0.000 0.000 0.249 129 K C -0.698 175.888 176.600 -0.024 0.000 0.942 129 K CA -1.095 55.190 56.287 -0.004 0.000 0.806 129 K CB 1.598 34.115 32.500 0.028 0.000 1.227 129 K HN 0.082 nan 8.250 nan 0.000 0.430 130 W N 1.089 122.363 121.300 -0.044 0.000 2.264 130 W HA 0.274 4.934 4.660 -0.001 0.000 0.331 130 W C 0.822 177.302 176.519 -0.064 0.000 1.364 130 W CA 0.987 58.300 57.345 -0.054 0.000 1.253 130 W CB 0.869 30.299 29.460 -0.051 0.000 1.215 130 W HN 0.721 nan 8.180 nan 0.000 0.561 131 G N 0.770 109.683 108.800 0.188 0.000 2.601 131 G HA2 0.708 4.668 3.960 -0.000 0.000 0.291 131 G HA3 0.708 4.668 3.960 -0.000 0.000 0.291 131 G C -2.168 172.752 174.900 0.033 0.000 1.456 131 G CA -0.691 44.456 45.100 0.078 0.000 0.804 131 G HN 0.683 nan 8.290 nan 0.000 0.499 132 A N 0.672 123.482 122.820 -0.016 0.000 2.359 132 A HA 0.782 5.102 4.320 -0.000 0.000 0.303 132 A C -0.374 177.178 177.584 -0.053 0.000 1.066 132 A CA -0.673 51.336 52.037 -0.046 0.000 0.730 132 A CB 1.647 20.622 19.000 -0.043 0.000 1.211 132 A HN 0.695 nan 8.150 nan 0.000 0.439 133 K N 3.735 124.115 120.400 -0.033 0.000 2.211 133 K HA 0.496 4.815 4.320 -0.000 0.000 0.275 133 K C -0.762 175.850 176.600 0.020 0.000 1.024 133 K CA -0.500 55.781 56.287 -0.009 0.000 0.887 133 K CB 0.516 33.018 32.500 0.003 0.000 1.084 133 K HN 0.709 nan 8.250 nan 0.000 0.463 134 I N 6.034 126.614 120.570 0.017 0.000 2.578 134 I HA -0.089 4.080 4.170 -0.000 0.000 0.286 134 I C 1.321 177.474 176.117 0.061 0.000 1.126 134 I CA -0.109 61.219 61.300 0.047 0.000 1.380 134 I CB 0.649 38.675 38.000 0.042 0.000 1.408 134 I HN 0.541 nan 8.210 nan 0.000 0.532 135 V N 3.682 123.638 119.914 0.070 0.000 3.661 135 V HA 0.378 4.498 4.120 -0.000 0.000 0.271 135 V C 0.513 176.628 176.094 0.035 0.000 1.315 135 V CA 0.134 62.465 62.300 0.053 0.000 1.072 135 V CB -0.052 31.809 31.823 0.063 0.000 0.830 135 V HN 0.712 nan 8.190 nan 0.000 0.443 136 M N 1.059 120.690 119.600 0.051 0.000 2.365 136 M HA 0.591 5.070 4.480 -0.000 0.000 0.288 136 M C -1.484 174.870 176.300 0.090 0.000 1.152 136 M CA -0.383 54.947 55.300 0.051 0.000 0.948 136 M CB 3.152 35.765 32.600 0.022 0.000 1.729 136 M HN 0.093 nan 8.290 nan 0.000 0.487 137 R N 2.114 122.673 120.500 0.099 0.000 2.534 137 R HA 0.669 5.008 4.340 -0.000 0.000 0.301 137 R C -1.157 175.205 176.300 0.102 0.000 0.961 137 R CA -0.824 55.355 56.100 0.131 0.000 0.871 137 R CB 2.507 32.911 30.300 0.174 0.000 1.170 137 R HN 0.744 nan 8.270 nan 0.000 0.446 138 E N 3.165 123.427 120.200 0.103 0.000 2.415 138 E HA 0.155 4.505 4.350 -0.000 0.000 0.302 138 E C -1.009 175.638 176.600 0.079 0.000 0.907 138 E CA -0.351 56.095 56.400 0.077 0.000 0.798 138 E CB 0.806 30.541 29.700 0.058 0.000 1.315 138 E HN 0.586 nan 8.360 nan 0.000 0.396 139 D N 2.336 122.778 120.400 0.069 0.000 3.685 139 D HA -0.261 4.379 4.640 -0.000 0.000 0.152 139 D C 0.742 177.098 176.300 0.094 0.000 0.966 139 D CA 1.790 55.830 54.000 0.067 0.000 1.085 139 D CB -0.377 40.455 40.800 0.054 0.000 0.521 139 D HN 0.595 nan 8.370 nan 0.000 0.543 140 R N 0.260 120.820 120.500 0.100 0.000 2.254 140 R HA 0.335 4.675 4.340 -0.000 0.000 0.195 140 R C 0.359 176.773 176.300 0.191 0.000 0.957 140 R CA 0.402 56.590 56.100 0.147 0.000 1.024 140 R CB 0.225 30.599 30.300 0.124 0.000 0.952 140 R HN 0.137 nan 8.270 nan 0.000 0.484 141 S N 0.604 116.381 115.700 0.129 0.000 2.549 141 S HA 0.256 4.726 4.470 -0.000 0.000 0.283 141 S C -0.156 174.531 174.600 0.145 0.000 1.320 141 S CA -0.563 57.699 58.200 0.104 0.000 1.058 141 S CB 1.387 64.635 63.200 0.080 0.000 0.882 141 S HN 0.150 nan 8.310 nan 0.000 0.498 142 V N 3.521 123.509 119.914 0.124 0.000 2.604 142 V HA 0.685 4.804 4.120 -0.000 0.000 0.305 142 V C -0.486 175.684 176.094 0.127 0.000 1.043 142 V CA -1.121 61.266 62.300 0.145 0.000 0.888 142 V CB 1.710 33.640 31.823 0.178 0.000 0.995 142 V HN 0.876 nan 8.190 nan 0.000 0.429 143 R N 5.226 125.806 120.500 0.133 0.000 2.346 143 R HA 0.729 5.068 4.340 -0.000 0.000 0.311 143 R C -1.390 175.000 176.300 0.150 0.000 0.983 143 R CA -0.696 55.498 56.100 0.158 0.000 0.880 143 R CB 1.349 31.716 30.300 0.111 0.000 1.100 143 R HN 0.913 nan 8.270 nan 0.000 0.453 144 L N 1.944 123.280 121.223 0.189 0.000 2.330 144 L HA 0.442 4.782 4.340 -0.000 0.000 0.271 144 L C -0.151 176.838 176.870 0.199 0.000 1.013 144 L CA -0.930 54.001 54.840 0.151 0.000 0.816 144 L CB 2.073 44.200 42.059 0.113 0.000 1.287 144 L HN 0.561 nan 8.230 nan 0.000 0.435 145 S N 2.699 118.464 115.700 0.109 0.000 2.520 145 S HA 0.596 5.065 4.470 -0.000 0.000 0.324 145 S C -0.591 173.894 174.600 -0.192 0.000 1.069 145 S CA -0.525 57.660 58.200 -0.025 0.000 1.121 145 S CB 0.141 63.375 63.200 0.057 0.000 0.971 145 S HN 0.407 nan 8.310 nan 0.000 0.463 146 I N 4.593 124.894 120.570 -0.449 0.000 2.339 146 I HA 0.350 4.520 4.170 -0.000 0.000 0.290 146 I C 0.222 176.045 176.117 -0.490 0.000 0.994 146 I CA -0.524 60.501 61.300 -0.458 0.000 1.191 146 I CB 1.618 39.225 38.000 -0.655 0.000 1.343 146 I HN 0.522 nan 8.210 nan 0.000 0.458 147 Q N 5.508 125.152 119.800 -0.260 0.000 2.314 147 Q HA 0.315 4.655 4.340 -0.000 0.000 0.259 147 Q C -0.313 175.392 176.000 -0.491 0.000 0.951 147 Q CA -0.577 55.062 55.803 -0.275 0.000 0.909 147 Q CB 1.474 30.095 28.738 -0.196 0.000 1.236 147 Q HN 0.819 nan 8.270 nan 0.000 0.444 148 S N 2.358 117.576 115.700 -0.802 0.000 2.601 148 S HA 0.246 4.716 4.470 -0.000 0.000 0.271 148 S C 0.134 174.032 174.600 -1.170 0.000 1.305 148 S CA -0.762 56.317 58.200 -1.868 0.000 1.022 148 S CB 1.656 63.940 63.200 -1.527 0.000 0.940 148 S HN 0.604 nan 8.310 nan 0.000 0.525 149 S N 2.513 117.420 115.700 -1.322 0.000 2.549 149 S HA 0.184 4.653 4.470 -0.000 0.000 0.286 149 S C -1.180 173.239 174.600 -0.301 0.000 1.314 149 S CA -1.150 56.759 58.200 -0.486 0.000 1.062 149 S CB 0.260 63.341 63.200 -0.198 0.000 0.865 149 S HN 0.710 nan 8.310 nan 0.000 0.498 150 P HA 0.015 nan 4.420 nan 0.000 0.239 150 P C 0.133 177.430 177.300 -0.004 0.000 1.184 150 P CA 0.696 63.753 63.100 -0.072 0.000 0.760 150 P CB 0.037 31.708 31.700 -0.048 0.000 0.884 151 K N -0.929 119.475 120.400 0.006 0.000 2.397 151 K HA 0.099 4.419 4.320 -0.000 0.000 0.202 151 K C 0.701 177.350 176.600 0.081 0.000 1.022 151 K CA -0.332 55.993 56.287 0.063 0.000 1.141 151 K CB -0.154 32.389 32.500 0.072 0.000 0.857 151 K HN 0.131 nan 8.250 nan 0.000 0.514 152 C N 1.852 121.181 119.300 0.047 0.000 2.657 152 C HA 0.115 4.574 4.460 -0.000 0.000 0.420 152 C C 0.992 176.049 174.990 0.111 0.000 1.323 152 C CA -0.790 58.304 59.018 0.126 0.000 1.894 152 C CB -0.708 27.073 27.740 0.068 0.000 2.681 152 C HN 0.361 nan 8.230 nan 0.000 0.613 153 I N 5.325 126.028 120.570 0.221 0.000 2.919 153 I HA -0.011 4.159 4.170 -0.000 0.000 0.303 153 I C 0.346 176.565 176.117 0.171 0.000 1.221 153 I CA 0.582 62.005 61.300 0.205 0.000 1.444 153 I CB 0.265 38.428 38.000 0.271 0.000 1.331 153 I HN 0.373 nan 8.210 nan 0.000 0.572 154 V N 6.348 126.233 119.914 -0.049 0.000 2.394 154 V HA 0.832 4.952 4.120 -0.000 0.000 0.282 154 V C 0.549 176.635 176.094 -0.015 0.000 1.031 154 V CA 0.204 62.428 62.300 -0.126 0.000 0.881 154 V CB 0.851 32.330 31.823 -0.574 0.000 0.982 154 V HN 1.055 nan 8.190 nan 0.000 0.451 155 G N 4.285 113.125 108.800 0.066 0.000 2.321 155 G HA2 0.365 4.325 3.960 -0.000 0.000 0.296 155 G HA3 0.365 4.325 3.960 -0.000 0.000 0.296 155 G C -1.570 173.339 174.900 0.016 0.000 1.287 155 G CA -0.849 44.230 45.100 -0.037 0.000 0.846 155 G HN 0.592 nan 8.290 nan 0.000 0.508 156 K N 0.393 120.685 120.400 -0.179 0.000 2.281 156 K HA 0.635 4.955 4.320 -0.000 0.000 0.272 156 K C -1.099 175.348 176.600 -0.256 0.000 1.048 156 K CA -0.512 55.562 56.287 -0.355 0.000 0.898 156 K CB 0.307 32.470 32.500 -0.562 0.000 1.128 156 K HN 0.208 nan 8.250 nan 0.000 0.460 157 F N 2.262 122.114 119.950 -0.162 0.000 2.399 157 F HA 0.465 4.992 4.527 -0.000 0.000 0.328 157 F C 0.744 176.536 175.800 -0.012 0.000 1.084 157 F CA -0.688 57.299 58.000 -0.021 0.000 1.053 157 F CB 1.213 40.269 39.000 0.093 0.000 1.209 157 F HN 0.297 nan 8.300 nan 0.000 0.502 158 R N 1.795 122.439 120.500 0.240 0.000 2.428 158 R HA 0.535 4.874 4.340 -0.000 0.000 0.294 158 R C -0.602 175.699 176.300 0.001 0.000 1.000 158 R CA -0.684 55.445 56.100 0.047 0.000 0.960 158 R CB 1.564 31.872 30.300 0.014 0.000 1.076 158 R HN 0.648 nan 8.270 nan 0.000 0.475 159 M N 3.365 122.799 119.600 -0.278 0.000 2.268 159 M HA 0.383 4.862 4.480 -0.000 0.000 0.344 159 M C -1.693 174.224 176.300 -0.639 0.000 1.106 159 M CA -0.485 54.582 55.300 -0.389 0.000 1.010 159 M CB 0.944 33.415 32.600 -0.215 0.000 1.649 159 M HN 0.551 nan 8.290 nan 0.000 0.443 160 Y N 2.445 122.640 120.300 -0.174 0.000 2.576 160 Y HA 0.664 5.213 4.550 -0.000 0.000 0.346 160 Y C -0.607 175.255 175.900 -0.064 0.000 1.018 160 Y CA -0.909 57.143 58.100 -0.080 0.000 1.050 160 Y CB 2.043 40.490 38.460 -0.021 0.000 1.280 160 Y HN 0.363 nan 8.280 nan 0.000 0.474 161 V N 1.742 121.757 119.914 0.169 0.000 2.495 161 V HA 0.862 4.981 4.120 -0.000 0.000 0.298 161 V C -0.517 175.726 176.094 0.248 0.000 1.031 161 V CA -0.826 61.597 62.300 0.205 0.000 0.871 161 V CB 1.284 33.204 31.823 0.163 0.000 0.988 161 V HN 0.846 nan 8.190 nan 0.000 0.432 162 A N 4.192 127.206 122.820 0.324 0.000 2.356 162 A HA 0.854 5.174 4.320 -0.000 0.000 0.310 162 A C -0.969 176.869 177.584 0.424 0.000 1.075 162 A CA -0.562 51.636 52.037 0.268 0.000 0.746 162 A CB 1.764 20.874 19.000 0.183 0.000 1.221 162 A HN 0.644 nan 8.150 nan 0.000 0.443 163 V N 3.076 123.139 119.914 0.248 0.000 2.370 163 V HA 0.236 4.355 4.120 -0.000 0.000 0.283 163 V C -0.382 175.832 176.094 0.199 0.000 1.023 163 V CA -0.547 61.945 62.300 0.320 0.000 0.857 163 V CB 1.054 33.006 31.823 0.214 0.000 0.985 163 V HN 0.875 nan 8.190 nan 0.000 0.443 164 W N 4.123 125.452 121.300 0.048 0.000 2.304 164 W HA 0.321 4.980 4.660 -0.001 0.000 0.313 164 W C 0.800 177.236 176.519 -0.138 0.000 1.323 164 W CA -0.195 57.129 57.345 -0.036 0.000 1.223 164 W CB 1.681 31.140 29.460 -0.000 0.000 1.237 164 W HN 0.680 nan 8.180 nan 0.000 0.535 165 T N 0.637 115.026 114.554 -0.276 0.000 2.910 165 T HA 0.362 4.712 4.350 -0.000 0.000 0.279 165 T C -1.692 172.810 174.700 -0.331 0.000 0.989 165 T CA -1.664 60.082 62.100 -0.590 0.000 0.968 165 T CB 1.781 69.968 68.868 -1.135 0.000 1.135 165 T HN 0.101 nan 8.240 nan 0.000 0.562 166 P HA 0.039 nan 4.420 nan 0.000 0.225 166 P C 0.274 177.329 177.300 -0.408 0.000 1.148 166 P CA 0.844 63.669 63.100 -0.457 0.000 0.779 166 P CB -0.205 31.145 31.700 -0.584 0.000 0.780 167 Y N -1.371 118.875 120.300 -0.091 0.000 2.462 167 Y HA 0.483 5.032 4.550 -0.001 0.000 0.261 167 Y C 1.674 177.494 175.900 -0.134 0.000 1.146 167 Y CA 0.210 58.254 58.100 -0.093 0.000 1.283 167 Y CB -0.164 38.239 38.460 -0.096 0.000 1.090 167 Y HN -0.027 nan 8.280 nan 0.000 0.526 168 G N -0.149 108.575 108.800 -0.125 0.000 2.270 168 G HA2 0.178 4.138 3.960 -0.000 0.000 0.268 168 G HA3 0.178 4.138 3.960 -0.000 0.000 0.268 168 G C -1.552 173.098 174.900 -0.417 0.000 1.312 168 G CA -0.587 44.366 45.100 -0.245 0.000 1.050 168 G HN 0.424 nan 8.290 nan 0.000 0.474 169 V N -0.490 119.128 119.914 -0.493 0.000 2.881 169 V HA 0.922 5.042 4.120 -0.000 0.000 0.316 169 V C -0.022 175.877 176.094 -0.325 0.000 1.070 169 V CA -0.946 61.018 62.300 -0.560 0.000 0.976 169 V CB 1.393 32.635 31.823 -0.969 0.000 1.038 169 V HN 1.016 nan 8.190 nan 0.000 0.446 170 L N 4.064 125.148 121.223 -0.233 0.000 2.334 170 L HA 0.810 5.150 4.340 -0.000 0.000 0.270 170 L C -0.045 176.787 176.870 -0.064 0.000 1.018 170 L CA -0.821 53.948 54.840 -0.119 0.000 0.811 170 L CB 1.670 43.695 42.059 -0.056 0.000 1.271 170 L HN 0.899 nan 8.230 nan 0.000 0.443 171 R N 0.081 120.566 120.500 -0.024 0.000 2.594 171 R HA 0.360 4.700 4.340 -0.000 0.000 0.265 171 R C -0.935 175.402 176.300 0.061 0.000 1.070 171 R CA -0.475 55.634 56.100 0.015 0.000 0.909 171 R CB 1.923 32.184 30.300 -0.065 0.000 1.243 171 R HN 0.838 nan 8.270 nan 0.000 0.455 172 T N 0.588 115.216 114.554 0.123 0.000 2.855 172 T HA 0.141 4.491 4.350 -0.000 0.000 0.322 172 T C 0.677 175.483 174.700 0.176 0.000 1.088 172 T CA -0.174 61.999 62.100 0.122 0.000 1.104 172 T CB 0.838 69.763 68.868 0.094 0.000 0.996 172 T HN 0.621 nan 8.240 nan 0.000 0.549 173 S N 0.538 116.304 115.700 0.111 0.000 2.672 173 S HA 0.465 4.935 4.470 -0.000 0.000 0.276 173 S C 0.145 174.821 174.600 0.127 0.000 1.207 173 S CA -1.172 57.104 58.200 0.126 0.000 1.002 173 S CB 0.726 63.958 63.200 0.052 0.000 0.998 173 S HN 0.904 nan 8.310 nan 0.000 0.542 174 R N 1.456 122.050 120.500 0.157 0.000 2.481 174 R HA 0.041 4.380 4.340 -0.000 0.000 0.291 174 R C -0.769 175.508 176.300 -0.039 0.000 0.934 174 R CA 0.922 57.064 56.100 0.070 0.000 1.116 174 R CB -0.693 29.647 30.300 0.067 0.000 0.895 174 R HN 0.761 nan 8.270 nan 0.000 0.410 175 N N 4.828 123.452 118.700 -0.128 0.000 2.571 175 N HA 0.320 5.059 4.740 -0.000 0.000 0.286 175 N C -2.560 172.873 175.510 -0.129 0.000 1.138 175 N CA -1.962 51.018 53.050 -0.117 0.000 0.859 175 N CB 2.068 40.476 38.487 -0.132 0.000 1.414 175 N HN 0.266 nan 8.380 nan 0.000 0.529 176 P HA 0.018 nan 4.420 nan 0.000 0.225 176 P C 0.652 177.905 177.300 -0.077 0.000 1.156 176 P CA 0.789 63.840 63.100 -0.080 0.000 0.787 176 P CB 0.520 32.188 31.700 -0.053 0.000 0.802 177 E N -0.915 119.240 120.200 -0.075 0.000 2.274 177 E HA -0.074 4.276 4.350 -0.000 0.000 0.194 177 E C 1.474 178.028 176.600 -0.076 0.000 0.996 177 E CA 1.417 57.779 56.400 -0.064 0.000 0.840 177 E CB -1.052 28.610 29.700 -0.065 0.000 0.772 177 E HN 0.387 nan 8.360 nan 0.000 0.491 178 T N -1.133 113.360 114.554 -0.102 0.000 3.122 178 T HA 0.072 4.422 4.350 -0.000 0.000 0.250 178 T C 0.259 174.916 174.700 -0.071 0.000 1.067 178 T CA -0.499 61.545 62.100 -0.094 0.000 0.966 178 T CB 0.026 68.816 68.868 -0.130 0.000 1.002 178 T HN -0.252 nan 8.240 nan 0.000 0.542 179 D N 3.023 123.368 120.400 -0.090 0.000 2.450 179 D HA 0.214 4.853 4.640 -0.000 0.000 0.247 179 D C -0.235 176.004 176.300 -0.101 0.000 1.162 179 D CA 0.657 54.597 54.000 -0.101 0.000 0.879 179 D CB 0.943 41.649 40.800 -0.156 0.000 1.163 179 D HN 0.173 nan 8.370 nan 0.000 0.472 180 T N 2.985 117.504 114.554 -0.058 0.000 2.791 180 T HA 0.247 4.597 4.350 -0.000 0.000 0.288 180 T C -0.339 174.320 174.700 -0.068 0.000 0.999 180 T CA -0.545 61.523 62.100 -0.054 0.000 0.952 180 T CB 0.195 69.064 68.868 0.001 0.000 0.938 180 T HN 0.079 nan 8.240 nan 0.000 0.444 181 Y N 2.773 123.025 120.300 -0.080 0.000 2.377 181 Y HA 0.432 4.981 4.550 -0.001 0.000 0.330 181 Y C 0.694 176.521 175.900 -0.122 0.000 1.108 181 Y CA -0.937 57.125 58.100 -0.064 0.000 1.308 181 Y CB 0.326 38.701 38.460 -0.140 0.000 1.216 181 Y HN 0.462 nan 8.280 nan 0.000 0.518 182 I N 5.629 126.279 120.570 0.134 0.000 2.382 182 I HA 0.310 4.479 4.170 -0.000 0.000 0.285 182 I C -0.585 175.531 176.117 -0.000 0.000 1.007 182 I CA -0.283 61.017 61.300 -0.001 0.000 1.142 182 I CB 0.655 38.619 38.000 -0.059 0.000 1.289 182 I HN 0.453 nan 8.210 nan 0.000 0.453 183 L N 4.506 125.716 121.223 -0.023 0.000 2.298 183 L HA 0.584 4.924 4.340 -0.000 0.000 0.268 183 L C -0.299 176.549 176.870 -0.037 0.000 1.010 183 L CA -0.959 53.861 54.840 -0.034 0.000 0.812 183 L CB 1.013 43.120 42.059 0.080 0.000 1.331 183 L HN 0.243 nan 8.230 nan 0.000 0.450 184 F N 0.539 120.563 119.950 0.122 0.000 2.545 184 F HA 0.072 4.599 4.527 -0.001 0.000 0.348 184 F C 0.761 176.675 175.800 0.190 0.000 1.163 184 F CA 0.257 58.335 58.000 0.131 0.000 1.331 184 F CB 0.085 39.150 39.000 0.109 0.000 1.138 184 F HN 0.352 nan 8.300 nan 0.000 0.602 185 N N 2.760 121.699 118.700 0.397 0.000 2.664 185 N HA 0.320 5.060 4.740 -0.000 0.000 0.257 185 N C -2.376 173.353 175.510 0.364 0.000 1.108 185 N CA -2.210 51.073 53.050 0.388 0.000 0.822 185 N CB 1.234 39.887 38.487 0.277 0.000 1.199 185 N HN 0.014 nan 8.380 nan 0.000 0.529 186 P HA -0.003 nan 4.420 nan 0.000 0.228 186 P C 0.649 177.921 177.300 -0.046 0.000 1.151 186 P CA 0.961 64.060 63.100 -0.000 0.000 0.770 186 P CB 0.109 31.594 31.700 -0.358 0.000 0.786 187 W N -2.349 119.022 121.300 0.119 0.000 3.220 187 W HA 0.253 4.913 4.660 -0.001 0.000 0.328 187 W C 0.111 176.764 176.519 0.223 0.000 1.205 187 W CA -0.423 57.000 57.345 0.130 0.000 1.773 187 W CB 0.041 29.516 29.460 0.026 0.000 1.086 187 W HN -0.128 nan 8.180 nan 0.000 0.622 188 C N 3.145 122.681 119.300 0.394 0.000 2.265 188 C HA 0.161 4.621 4.460 -0.000 0.000 0.332 188 C C 1.904 176.851 174.990 -0.072 0.000 1.248 188 C CA -0.174 58.934 59.018 0.150 0.000 1.727 188 C CB 0.101 27.898 27.740 0.097 0.000 2.348 188 C HN 0.552 nan 8.230 nan 0.000 0.519 189 E N 2.282 122.191 120.200 -0.485 0.000 2.265 189 E HA -0.179 4.171 4.350 -0.000 0.000 0.196 189 E C 0.551 176.857 176.600 -0.490 0.000 0.996 189 E CA 1.447 57.171 56.400 -1.125 0.000 0.832 189 E CB -0.032 29.132 29.700 -0.893 0.000 0.756 189 E HN 0.762 nan 8.360 nan 0.000 0.491 190 D N 1.015 121.283 120.400 -0.221 0.000 2.339 190 D HA -0.013 4.627 4.640 -0.000 0.000 0.217 190 D C -0.067 176.219 176.300 -0.024 0.000 1.050 190 D CA 0.204 54.141 54.000 -0.107 0.000 0.856 190 D CB 0.007 40.758 40.800 -0.082 0.000 0.922 190 D HN 0.179 nan 8.370 nan 0.000 0.518 191 D N 0.538 120.955 120.400 0.028 0.000 2.350 191 D HA 0.162 4.802 4.640 -0.000 0.000 0.249 191 D C 1.251 177.628 176.300 0.128 0.000 1.119 191 D CA -0.239 53.827 54.000 0.111 0.000 0.886 191 D CB 1.680 42.587 40.800 0.178 0.000 1.195 191 D HN -0.061 nan 8.370 nan 0.000 0.437 192 A N 3.340 126.229 122.820 0.115 0.000 2.054 192 A HA -0.168 4.152 4.320 -0.000 0.000 0.223 192 A C 1.986 179.614 177.584 0.073 0.000 1.169 192 A CA 1.300 53.384 52.037 0.079 0.000 0.655 192 A CB -0.181 18.863 19.000 0.073 0.000 0.812 192 A HN 0.474 nan 8.150 nan 0.000 0.462 193 V N -1.276 118.719 119.914 0.136 0.000 3.647 193 V HA 0.054 4.174 4.120 -0.000 0.000 0.279 193 V C 0.681 176.920 176.094 0.242 0.000 1.314 193 V CA -0.342 62.042 62.300 0.140 0.000 1.125 193 V CB -1.083 30.800 31.823 0.100 0.000 0.907 193 V HN 0.591 nan 8.190 nan 0.000 0.434 194 Y N 1.517 121.882 120.300 0.108 0.000 2.944 194 Y HA 0.138 4.688 4.550 -0.001 0.000 0.340 194 Y C -0.253 175.725 175.900 0.130 0.000 1.275 194 Y CA -0.003 58.142 58.100 0.075 0.000 1.590 194 Y CB 0.296 38.790 38.460 0.056 0.000 1.218 194 Y HN 0.210 nan 8.280 nan 0.000 0.576 195 L N 7.229 128.068 121.223 -0.640 0.000 2.404 195 L HA 0.350 4.689 4.340 -0.000 0.000 0.272 195 L C -0.024 176.207 176.870 -1.065 0.000 0.980 195 L CA -0.580 53.763 54.840 -0.827 0.000 0.836 195 L CB 1.254 42.786 42.059 -0.878 0.000 1.238 195 L HN 0.719 nan 8.230 nan 0.000 0.408 196 D N 1.573 121.420 120.400 -0.921 0.000 2.349 196 D HA 0.020 4.659 4.640 -0.000 0.000 0.224 196 D C -0.173 175.891 176.300 -0.393 0.000 1.029 196 D CA 0.389 53.931 54.000 -0.764 0.000 0.879 196 D CB -0.363 40.252 40.800 -0.308 0.000 0.906 196 D HN 0.668 nan 8.370 nan 0.000 0.528 197 N N -1.736 116.725 118.700 -0.400 0.000 2.321 197 N HA 0.241 4.981 4.740 -0.000 0.000 0.290 197 N C 0.283 175.623 175.510 -0.283 0.000 1.212 197 N CA -0.831 52.066 53.050 -0.256 0.000 0.767 197 N CB 1.831 40.206 38.487 -0.185 0.000 1.494 197 N HN -0.317 nan 8.380 nan 0.000 0.479 198 E N 0.735 120.834 120.200 -0.167 0.000 2.106 198 E HA -0.061 4.289 4.350 -0.000 0.000 0.192 198 E C 0.833 177.345 176.600 -0.146 0.000 0.984 198 E CA 1.603 57.929 56.400 -0.124 0.000 0.806 198 E CB 0.039 29.743 29.700 0.006 0.000 0.750 198 E HN 0.667 nan 8.360 nan 0.000 0.458 199 K N 0.132 120.448 120.400 -0.140 0.000 2.057 199 K HA -0.117 4.203 4.320 -0.000 0.000 0.207 199 K C 2.182 178.633 176.600 -0.249 0.000 1.049 199 K CA 1.535 57.732 56.287 -0.149 0.000 0.931 199 K CB -0.081 32.346 32.500 -0.121 0.000 0.714 199 K HN 0.173 nan 8.250 nan 0.000 0.440 200 E N 0.306 120.335 120.200 -0.286 0.000 2.152 200 E HA -0.094 4.256 4.350 -0.000 0.000 0.192 200 E C 2.070 178.450 176.600 -0.368 0.000 0.983 200 E CA 0.587 56.761 56.400 -0.376 0.000 0.818 200 E CB 0.117 29.672 29.700 -0.241 0.000 0.758 200 E HN 0.209 nan 8.360 nan 0.000 0.467 201 R N 0.824 121.080 120.500 -0.406 0.000 2.070 201 R HA -0.186 4.154 4.340 -0.000 0.000 0.233 201 R C 2.371 178.513 176.300 -0.263 0.000 1.137 201 R CA 1.552 57.345 56.100 -0.512 0.000 0.945 201 R CB -0.287 29.432 30.300 -0.968 0.000 0.845 201 R HN 0.049 nan 8.270 nan 0.000 0.430 202 E N 1.138 121.243 120.200 -0.158 0.000 2.065 202 E HA -0.275 4.074 4.350 -0.000 0.000 0.201 202 E C 1.830 178.382 176.600 -0.080 0.000 1.016 202 E CA 2.019 58.396 56.400 -0.038 0.000 0.818 202 E CB -0.102 29.584 29.700 -0.023 0.000 0.749 202 E HN 0.210 nan 8.360 nan 0.000 0.453 203 E N -1.034 119.022 120.200 -0.240 0.000 2.047 203 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 203 E C 1.517 178.015 176.600 -0.171 0.000 0.987 203 E CA 1.490 57.707 56.400 -0.305 0.000 0.799 203 E CB -0.427 28.864 29.700 -0.680 0.000 0.752 203 E HN 0.462 nan 8.360 nan 0.000 0.449 204 Y N -1.088 119.197 120.300 -0.025 0.000 2.482 204 Y HA 0.205 4.755 4.550 -0.000 0.000 0.270 204 Y C 1.666 177.549 175.900 -0.029 0.000 1.152 204 Y CA 0.108 58.206 58.100 -0.004 0.000 1.292 204 Y CB 0.523 39.019 38.460 0.061 0.000 1.070 204 Y HN -0.030 nan 8.280 nan 0.000 0.528 205 V N -1.687 118.285 119.914 0.097 0.000 3.054 205 V HA -0.011 4.109 4.120 -0.000 0.000 0.227 205 V C 1.765 177.994 176.094 0.224 0.000 1.252 205 V CA 0.445 62.818 62.300 0.121 0.000 1.279 205 V CB -0.134 31.742 31.823 0.088 0.000 1.118 205 V HN 0.088 nan 8.190 nan 0.000 0.504 206 L N 0.397 121.781 121.223 0.270 0.000 2.270 206 L HA 0.145 4.485 4.340 -0.000 0.000 0.210 206 L C 1.016 178.093 176.870 0.345 0.000 1.104 206 L CA 0.394 55.467 54.840 0.387 0.000 0.804 206 L CB -0.223 42.005 42.059 0.282 0.000 0.937 206 L HN 0.322 nan 8.230 nan 0.000 0.450 207 N N 1.716 120.536 118.700 0.199 0.000 2.431 207 N HA -0.058 4.682 4.740 -0.000 0.000 0.265 207 N C 0.112 175.763 175.510 0.236 0.000 1.184 207 N CA 0.101 53.253 53.050 0.171 0.000 0.943 207 N CB 0.777 39.324 38.487 0.101 0.000 1.080 207 N HN 0.167 nan 8.380 nan 0.000 0.477 208 D N 3.099 123.638 120.400 0.233 0.000 2.342 208 D HA 0.093 4.733 4.640 -0.000 0.000 0.221 208 D C 0.084 176.488 176.300 0.172 0.000 1.101 208 D CA 0.047 54.188 54.000 0.234 0.000 0.837 208 D CB -0.116 40.803 40.800 0.199 0.000 0.938 208 D HN 0.388 nan 8.370 nan 0.000 0.508 209 I N 0.425 121.060 120.570 0.108 0.000 2.436 209 I HA 0.552 4.721 4.170 -0.000 0.000 0.289 209 I C 0.647 176.724 176.117 -0.068 0.000 1.010 209 I CA -0.888 60.367 61.300 -0.076 0.000 1.098 209 I CB 2.313 40.247 38.000 -0.110 0.000 1.266 209 I HN -0.040 nan 8.210 nan 0.000 0.434 210 G N 4.668 113.254 108.800 -0.355 0.000 2.820 210 G HA2 0.770 4.729 3.960 -0.000 0.000 0.291 210 G HA3 0.770 4.729 3.960 -0.000 0.000 0.291 210 G C -1.299 173.540 174.900 -0.102 0.000 1.323 210 G CA -0.563 44.477 45.100 -0.100 0.000 1.055 210 G HN 0.312 nan 8.290 nan 0.000 0.520 211 V N 0.287 120.164 119.914 -0.063 0.000 2.709 211 V HA 0.445 4.565 4.120 -0.000 0.000 0.308 211 V C -0.565 175.351 176.094 -0.296 0.000 1.062 211 V CA -0.513 61.650 62.300 -0.229 0.000 0.901 211 V CB 1.760 33.398 31.823 -0.308 0.000 1.003 211 V HN 0.555 nan 8.190 nan 0.000 0.425 212 I N 4.494 124.837 120.570 -0.378 0.000 2.378 212 I HA 0.451 4.621 4.170 -0.000 0.000 0.291 212 I C -1.002 174.848 176.117 -0.446 0.000 0.992 212 I CA -0.293 60.822 61.300 -0.308 0.000 1.154 212 I CB 1.452 39.318 38.000 -0.223 0.000 1.315 212 I HN 0.423 nan 8.210 nan 0.000 0.448 213 F N 6.998 126.884 119.950 -0.106 0.000 2.411 213 F HA 0.400 4.927 4.527 -0.001 0.000 0.355 213 F C 0.189 175.833 175.800 -0.261 0.000 1.117 213 F CA -0.314 57.606 58.000 -0.133 0.000 1.139 213 F CB 0.576 39.523 39.000 -0.089 0.000 1.120 213 F HN 0.378 nan 8.300 nan 0.000 0.493 214 Y N 0.500 120.567 120.300 -0.388 0.000 3.068 214 Y HA 0.929 5.479 4.550 -0.000 0.000 0.302 214 Y C 0.568 176.215 175.900 -0.422 0.000 1.610 214 Y CA -1.273 56.231 58.100 -0.993 0.000 1.078 214 Y CB 0.407 38.158 38.460 -1.182 0.000 1.418 214 Y HN 0.819 nan 8.280 nan 0.000 0.525 215 G N 0.973 109.558 108.800 -0.358 0.000 2.669 215 G HA2 0.159 4.119 3.960 -0.000 0.000 0.250 215 G HA3 0.159 4.119 3.960 -0.000 0.000 0.250 215 G C -0.714 174.257 174.900 0.117 0.000 1.247 215 G CA 0.660 45.681 45.100 -0.133 0.000 0.958 215 G HN 1.490 nan 8.290 nan 0.000 0.559 216 E N -2.143 118.039 120.200 -0.030 0.000 2.416 216 E HA 0.634 4.984 4.350 -0.000 0.000 0.280 216 E C 0.491 176.797 176.600 -0.491 0.000 1.055 216 E CA 0.034 56.383 56.400 -0.085 0.000 0.825 216 E CB 1.209 30.911 29.700 0.004 0.000 1.312 216 E HN 1.570 nan 8.360 nan 0.000 0.452 217 V N 1.445 120.966 119.914 -0.655 0.000 2.392 217 V HA -0.242 3.878 4.120 -0.000 0.000 0.249 217 V C 0.826 176.631 176.094 -0.481 0.000 1.059 217 V CA 2.564 64.386 62.300 -0.797 0.000 1.051 217 V CB -0.816 30.686 31.823 -0.535 0.000 0.658 217 V HN 0.710 nan 8.190 nan 0.000 0.455 218 N N 0.022 118.554 118.700 -0.280 0.000 2.461 218 N HA 0.013 4.753 4.740 -0.000 0.000 0.188 218 N C -0.206 175.186 175.510 -0.197 0.000 1.134 218 N CA 0.693 53.627 53.050 -0.194 0.000 0.878 218 N CB 0.170 38.588 38.487 -0.114 0.000 0.972 218 N HN 0.476 nan 8.380 nan 0.000 0.456 219 D N 0.611 120.860 120.400 -0.251 0.000 2.752 219 D HA 0.083 4.723 4.640 -0.000 0.000 0.242 219 D C -1.161 174.981 176.300 -0.264 0.000 1.295 219 D CA -0.371 53.502 54.000 -0.212 0.000 0.846 219 D CB 0.069 40.774 40.800 -0.159 0.000 1.454 219 D HN -0.143 nan 8.370 nan 0.000 0.535 220 I N 2.764 123.169 120.570 -0.275 0.000 2.436 220 I HA 0.169 4.339 4.170 -0.000 0.000 0.289 220 I C 0.757 176.716 176.117 -0.262 0.000 1.083 220 I CA -0.242 60.902 61.300 -0.260 0.000 1.372 220 I CB 0.352 38.247 38.000 -0.176 0.000 1.408 220 I HN 0.054 nan 8.210 nan 0.000 0.516 221 K N 4.927 125.035 120.400 -0.487 0.000 2.098 221 K HA 0.587 4.907 4.320 -0.000 0.000 0.258 221 K C 0.242 176.437 176.600 -0.676 0.000 0.973 221 K CA -0.507 55.327 56.287 -0.755 0.000 0.898 221 K CB 1.812 33.446 32.500 -1.443 0.000 1.057 221 K HN 0.714 nan 8.250 nan 0.000 0.447 222 T N -0.717 113.577 114.554 -0.433 0.000 2.893 222 T HA 0.821 5.171 4.350 -0.000 0.000 0.291 222 T C -0.552 174.065 174.700 -0.139 0.000 1.028 222 T CA -1.043 60.842 62.100 -0.360 0.000 0.995 222 T CB 1.857 70.485 68.868 -0.399 0.000 1.051 222 T HN 0.621 nan 8.240 nan 0.000 0.470 223 R N 0.252 120.627 120.500 -0.208 0.000 2.739 223 R HA 0.787 5.127 4.340 -0.000 0.000 0.271 223 R C -1.140 174.999 176.300 -0.268 0.000 1.010 223 R CA -0.834 55.111 56.100 -0.259 0.000 0.897 223 R CB 0.626 30.576 30.300 -0.583 0.000 1.236 223 R HN 0.549 nan 8.270 nan 0.000 0.466 224 S N 0.616 116.193 115.700 -0.204 0.000 2.616 224 S HA 0.533 5.003 4.470 -0.000 0.000 0.277 224 S C -1.361 173.194 174.600 -0.074 0.000 1.234 224 S CA -0.631 57.483 58.200 -0.144 0.000 1.028 224 S CB 0.607 63.734 63.200 -0.122 0.000 0.988 224 S HN 0.495 nan 8.310 nan 0.000 0.522 225 W N 1.821 122.931 121.300 -0.317 0.000 2.900 225 W HA 0.367 5.027 4.660 -0.001 0.000 0.336 225 W C -0.655 175.611 176.519 -0.423 0.000 1.064 225 W CA -0.573 56.575 57.345 -0.327 0.000 1.237 225 W CB 1.837 31.095 29.460 -0.338 0.000 1.391 225 W HN 0.590 nan 8.180 nan 0.000 0.468 226 S N 4.633 119.959 115.700 -0.622 0.000 2.430 226 S HA 0.081 4.551 4.470 -0.000 0.000 0.282 226 S C 0.681 175.098 174.600 -0.306 0.000 1.186 226 S CA -0.029 57.918 58.200 -0.421 0.000 1.060 226 S CB 0.197 63.220 63.200 -0.296 0.000 0.966 226 S HN 0.405 nan 8.310 nan 0.000 0.501 227 Y N 4.070 124.443 120.300 0.121 0.000 2.163 227 Y HA 0.108 4.658 4.550 -0.001 0.000 0.288 227 Y C 2.291 178.207 175.900 0.027 0.000 1.136 227 Y CA 0.625 58.811 58.100 0.144 0.000 1.147 227 Y CB -0.955 37.565 38.460 0.100 0.000 0.987 227 Y HN 0.902 nan 8.280 nan 0.000 0.509 228 G N 0.834 109.706 108.800 0.120 0.000 2.305 228 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.287 228 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.287 228 G C 1.053 175.953 174.900 0.000 0.000 1.036 228 G CA 0.663 45.801 45.100 0.064 0.000 0.887 228 G HN 0.495 nan 8.290 nan 0.000 0.505 229 Q N -0.899 118.782 119.800 -0.198 0.000 2.369 229 Q HA 0.036 4.376 4.340 -0.000 0.000 0.206 229 Q C 1.683 177.415 176.000 -0.447 0.000 0.963 229 Q CA 1.228 56.815 55.803 -0.360 0.000 0.894 229 Q CB -0.281 28.116 28.738 -0.569 0.000 0.965 229 Q HN 0.605 nan 8.270 nan 0.000 0.475 230 F N 1.855 121.753 119.950 -0.086 0.000 2.765 230 F HA 0.250 4.777 4.527 -0.000 0.000 0.302 230 F C 0.801 176.636 175.800 0.058 0.000 1.111 230 F CA -0.492 57.410 58.000 -0.164 0.000 1.359 230 F CB 0.024 38.879 39.000 -0.242 0.000 1.097 230 F HN -0.110 nan 8.300 nan 0.000 0.577 231 E N 0.947 121.283 120.200 0.227 0.000 2.408 231 E HA -0.044 4.306 4.350 -0.000 0.000 0.259 231 E C -0.346 176.354 176.600 0.167 0.000 1.110 231 E CA -0.189 56.353 56.400 0.237 0.000 0.929 231 E CB 0.548 30.386 29.700 0.230 0.000 0.971 231 E HN 0.047 nan 8.360 nan 0.000 0.438 232 D N -0.488 119.975 120.400 0.105 0.000 2.493 232 D HA 0.126 4.765 4.640 -0.000 0.000 0.240 232 D C 1.054 177.391 176.300 0.061 0.000 1.142 232 D CA 1.522 55.555 54.000 0.054 0.000 0.872 232 D CB 0.285 41.069 40.800 -0.027 0.000 1.173 232 D HN 0.556 nan 8.370 nan 0.000 0.467 233 G N 3.504 112.343 108.800 0.065 0.000 2.225 233 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.254 233 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.254 233 G C 1.183 176.139 174.900 0.093 0.000 0.988 233 G CA 0.327 45.465 45.100 0.064 0.000 0.625 233 G HN 0.507 nan 8.290 nan 0.000 0.527 234 I N 0.337 120.975 120.570 0.114 0.000 2.286 234 I HA -0.000 4.169 4.170 -0.000 0.000 0.245 234 I C 2.707 178.911 176.117 0.144 0.000 1.104 234 I CA 1.636 63.016 61.300 0.133 0.000 1.397 234 I CB -1.136 36.937 38.000 0.122 0.000 1.072 234 I HN 0.324 nan 8.210 nan 0.000 0.417 235 L N 1.506 122.808 121.223 0.131 0.000 2.012 235 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 235 L C 2.049 178.991 176.870 0.119 0.000 1.073 235 L CA 2.060 56.946 54.840 0.078 0.000 0.748 235 L CB -0.928 41.067 42.059 -0.106 0.000 0.891 235 L HN 0.184 nan 8.230 nan 0.000 0.431 236 D N -1.319 119.165 120.400 0.139 0.000 2.178 236 D HA -0.132 4.508 4.640 -0.000 0.000 0.202 236 D C 2.015 178.447 176.300 0.219 0.000 0.974 236 D CA 1.630 55.747 54.000 0.195 0.000 0.841 236 D CB -0.055 40.842 40.800 0.162 0.000 0.953 236 D HN 0.407 nan 8.370 nan 0.000 0.478 237 T N 0.283 114.959 114.554 0.202 0.000 2.746 237 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 237 T C 2.242 177.180 174.700 0.397 0.000 1.039 237 T CA 0.860 63.131 62.100 0.285 0.000 1.142 237 T CB -0.404 68.610 68.868 0.244 0.000 0.866 237 T HN 0.251 nan 8.240 nan 0.000 0.444 238 C N 1.137 120.639 119.300 0.337 0.000 2.440 238 C HA 0.078 4.538 4.460 -0.000 0.000 0.278 238 C C 2.643 177.864 174.990 0.386 0.000 1.295 238 C CA 0.286 59.553 59.018 0.415 0.000 1.738 238 C CB -1.442 26.385 27.740 0.145 0.000 1.987 238 C HN 0.534 nan 8.230 nan 0.000 0.492 239 L N -0.579 120.809 121.223 0.274 0.000 2.093 239 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 239 L C 2.524 179.550 176.870 0.261 0.000 1.085 239 L CA 1.604 56.587 54.840 0.237 0.000 0.755 239 L CB -0.936 41.231 42.059 0.180 0.000 0.904 239 L HN 0.317 nan 8.230 nan 0.000 0.435 240 Y N 0.588 120.992 120.300 0.173 0.000 2.293 240 Y HA -0.172 4.378 4.550 -0.000 0.000 0.291 240 Y C 2.360 178.383 175.900 0.205 0.000 1.137 240 Y CA 1.139 59.327 58.100 0.147 0.000 1.202 240 Y CB -0.239 38.295 38.460 0.123 0.000 0.990 240 Y HN -0.160 nan 8.280 nan 0.000 0.537 241 V N 0.735 120.819 119.914 0.283 0.000 2.252 241 V HA -0.428 3.692 4.120 -0.000 0.000 0.249 241 V C 2.415 178.550 176.094 0.069 0.000 1.056 241 V CA 2.554 64.965 62.300 0.184 0.000 1.022 241 V CB -0.699 31.257 31.823 0.221 0.000 0.641 241 V HN 0.477 nan 8.190 nan 0.000 0.445 242 M N -0.483 119.222 119.600 0.176 0.000 2.108 242 M HA -0.210 4.270 4.480 -0.000 0.000 0.261 242 M C 1.983 178.301 176.300 0.030 0.000 1.066 242 M CA 2.004 57.382 55.300 0.129 0.000 1.107 242 M CB -0.731 31.989 32.600 0.201 0.000 1.356 242 M HN 0.332 nan 8.290 nan 0.000 0.406 243 D N 0.042 120.439 120.400 -0.005 0.000 2.097 243 D HA -0.113 4.526 4.640 -0.000 0.000 0.195 243 D C 2.112 178.332 176.300 -0.133 0.000 0.989 243 D CA 1.031 54.996 54.000 -0.058 0.000 0.827 243 D CB -0.360 40.414 40.800 -0.043 0.000 0.966 243 D HN 0.166 nan 8.370 nan 0.000 0.456 244 R N 0.809 121.147 120.500 -0.269 0.000 2.159 244 R HA -0.014 4.325 4.340 -0.000 0.000 0.237 244 R C 1.934 178.178 176.300 -0.093 0.000 1.131 244 R CA 0.844 56.815 56.100 -0.214 0.000 0.982 244 R CB -0.926 29.212 30.300 -0.271 0.000 0.868 244 R HN 0.150 nan 8.270 nan 0.000 0.453 245 A N 0.921 123.701 122.820 -0.068 0.000 2.239 245 A HA -0.089 4.230 4.320 -0.000 0.000 0.209 245 A C 0.494 178.059 177.584 -0.032 0.000 1.171 245 A CA 0.188 52.197 52.037 -0.047 0.000 0.768 245 A CB -0.232 18.744 19.000 -0.041 0.000 0.790 245 A HN 0.427 nan 8.150 nan 0.000 0.478 246 Q N -1.731 118.051 119.800 -0.030 0.000 2.434 246 Q HA -0.223 4.117 4.340 -0.000 0.000 0.299 246 Q C 0.076 176.076 176.000 0.001 0.000 1.286 246 Q CA 0.812 56.608 55.803 -0.012 0.000 0.872 246 Q CB -1.631 27.099 28.738 -0.012 0.000 1.193 246 Q HN 0.841 nan 8.270 nan 0.000 0.466 247 M N 1.383 120.991 119.600 0.013 0.000 2.217 247 M HA 0.097 4.576 4.480 -0.000 0.000 0.352 247 M C 0.153 176.475 176.300 0.037 0.000 1.376 247 M CA -0.190 55.127 55.300 0.029 0.000 1.107 247 M CB 0.558 33.191 32.600 0.056 0.000 1.723 247 M HN 0.125 nan 8.290 nan 0.000 0.461 248 D N 3.914 124.334 120.400 0.034 0.000 2.571 248 D HA -0.064 4.575 4.640 -0.000 0.000 0.231 248 D C 0.726 177.058 176.300 0.053 0.000 1.133 248 D CA 0.452 54.477 54.000 0.041 0.000 0.862 248 D CB 0.657 41.480 40.800 0.038 0.000 1.179 248 D HN 0.725 nan 8.370 nan 0.000 0.474 249 L N 2.558 123.810 121.223 0.049 0.000 2.093 249 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 249 L C 2.340 179.249 176.870 0.065 0.000 1.085 249 L CA 0.781 55.646 54.840 0.041 0.000 0.755 249 L CB -0.270 41.797 42.059 0.014 0.000 0.904 249 L HN 0.383 nan 8.230 nan 0.000 0.435 250 S N -0.092 115.654 115.700 0.076 0.000 2.500 250 S HA -0.093 4.377 4.470 -0.000 0.000 0.239 250 S C 1.778 176.436 174.600 0.096 0.000 0.989 250 S CA 1.000 59.255 58.200 0.091 0.000 0.951 250 S CB -0.300 62.950 63.200 0.083 0.000 0.759 250 S HN 0.611 nan 8.310 nan 0.000 0.523 251 G N 0.804 109.659 108.800 0.092 0.000 3.042 251 G HA2 0.025 3.985 3.960 -0.000 0.000 0.212 251 G HA3 0.025 3.985 3.960 -0.000 0.000 0.212 251 G C 1.213 176.199 174.900 0.144 0.000 1.166 251 G CA -0.390 44.775 45.100 0.109 0.000 0.767 251 G HN 0.384 nan 8.290 nan 0.000 0.546 252 R N 0.174 120.755 120.500 0.135 0.000 2.310 252 R HA 0.099 4.439 4.340 -0.000 0.000 0.202 252 R C 2.110 178.505 176.300 0.160 0.000 0.933 252 R CA 0.391 56.589 56.100 0.164 0.000 1.054 252 R CB 0.423 30.788 30.300 0.108 0.000 0.985 252 R HN 0.227 nan 8.270 nan 0.000 0.489 253 G N 0.687 109.573 108.800 0.144 0.000 3.141 253 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.218 253 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.218 253 G C 0.077 175.183 174.900 0.344 0.000 1.170 253 G CA -0.284 44.904 45.100 0.145 0.000 0.769 253 G HN 0.076 nan 8.290 nan 0.000 0.546 254 N N 1.054 119.947 118.700 0.322 0.000 2.485 254 N HA 0.250 4.989 4.740 -0.000 0.000 0.243 254 N C -1.148 174.513 175.510 0.251 0.000 0.987 254 N CA -2.518 50.690 53.050 0.263 0.000 0.940 254 N CB 2.320 40.912 38.487 0.175 0.000 1.122 254 N HN -0.099 nan 8.380 nan 0.000 0.509 255 P HA -0.104 nan 4.420 nan 0.000 0.222 255 P C 1.308 178.595 177.300 -0.021 0.000 1.147 255 P CA 0.957 63.961 63.100 -0.160 0.000 0.790 255 P CB 0.551 31.987 31.700 -0.440 0.000 0.780 256 I N 0.101 120.702 120.570 0.051 0.000 2.233 256 I HA -0.175 3.995 4.170 -0.000 0.000 0.243 256 I C 2.796 178.959 176.117 0.077 0.000 1.093 256 I CA 1.444 62.799 61.300 0.091 0.000 1.380 256 I CB -0.538 37.552 38.000 0.150 0.000 1.067 256 I HN -0.090 nan 8.210 nan 0.000 0.413 257 K N 0.764 121.219 120.400 0.093 0.000 2.103 257 K HA -0.103 4.217 4.320 -0.000 0.000 0.204 257 K C 2.106 178.762 176.600 0.095 0.000 1.052 257 K CA 0.948 57.271 56.287 0.060 0.000 0.945 257 K CB 0.130 32.680 32.500 0.084 0.000 0.722 257 K HN 0.073 nan 8.250 nan 0.000 0.443 258 V N 0.820 120.839 119.914 0.175 0.000 2.287 258 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 258 V C 2.130 178.416 176.094 0.319 0.000 1.053 258 V CA 2.092 64.556 62.300 0.275 0.000 1.027 258 V CB -0.447 31.571 31.823 0.325 0.000 0.646 258 V HN 0.326 nan 8.190 nan 0.000 0.447 259 S N -0.433 115.417 115.700 0.250 0.000 2.359 259 S HA -0.268 4.201 4.470 -0.000 0.000 0.224 259 S C 2.112 176.823 174.600 0.185 0.000 1.035 259 S CA 1.994 60.407 58.200 0.356 0.000 1.018 259 S CB -0.393 62.948 63.200 0.236 0.000 0.876 259 S HN 0.505 nan 8.310 nan 0.000 0.448 260 R N 1.257 121.752 120.500 -0.008 0.000 2.066 260 R HA -0.000 4.339 4.340 -0.000 0.000 0.232 260 R C 2.018 178.205 176.300 -0.189 0.000 1.131 260 R CA 1.527 57.505 56.100 -0.205 0.000 0.955 260 R CB -0.938 29.138 30.300 -0.373 0.000 0.851 260 R HN 0.274 nan 8.270 nan 0.000 0.432 261 V N -0.082 119.771 119.914 -0.102 0.000 2.323 261 V HA -0.030 4.090 4.120 -0.000 0.000 0.244 261 V C 2.274 178.291 176.094 -0.129 0.000 1.041 261 V CA 1.969 64.212 62.300 -0.096 0.000 1.025 261 V CB -1.073 30.738 31.823 -0.021 0.000 0.656 261 V HN 0.628 nan 8.190 nan 0.000 0.451 262 G N 0.617 109.378 108.800 -0.064 0.000 2.446 262 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.217 262 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.217 262 G C 1.863 176.483 174.900 -0.467 0.000 1.168 262 G CA 1.558 46.480 45.100 -0.297 0.000 0.771 262 G HN 0.639 nan 8.290 nan 0.000 0.551 263 S N 1.042 116.395 115.700 -0.580 0.000 2.423 263 S HA 0.222 4.691 4.470 -0.000 0.000 0.231 263 S C 2.541 176.797 174.600 -0.574 0.000 1.014 263 S CA 1.303 58.866 58.200 -1.062 0.000 0.965 263 S CB -0.328 62.197 63.200 -1.125 0.000 0.785 263 S HN 0.600 nan 8.310 nan 0.000 0.495 264 A N 1.896 124.488 122.820 -0.381 0.000 2.015 264 A HA 0.139 4.459 4.320 -0.000 0.000 0.219 264 A C 2.182 179.615 177.584 -0.251 0.000 1.163 264 A CA 1.316 53.195 52.037 -0.263 0.000 0.646 264 A CB -0.595 18.281 19.000 -0.206 0.000 0.806 264 A HN 0.488 nan 8.150 nan 0.000 0.448 265 M N -0.521 118.905 119.600 -0.290 0.000 2.562 265 M HA -0.004 4.475 4.480 -0.000 0.000 0.257 265 M C 1.906 178.007 176.300 -0.332 0.000 1.099 265 M CA 0.738 55.874 55.300 -0.273 0.000 1.099 265 M CB -0.762 31.674 32.600 -0.273 0.000 1.427 265 M HN 0.255 nan 8.290 nan 0.000 0.489 266 V N 0.492 120.169 119.914 -0.396 0.000 2.379 266 V HA -0.105 4.015 4.120 -0.000 0.000 0.245 266 V C 1.343 177.168 176.094 -0.448 0.000 1.044 266 V CA 0.929 62.992 62.300 -0.394 0.000 1.036 266 V CB -0.484 31.103 31.823 -0.393 0.000 0.664 266 V HN 0.507 nan 8.190 nan 0.000 0.453 267 N N 0.919 119.291 118.700 -0.546 0.000 2.444 267 N HA 0.288 5.028 4.740 -0.000 0.000 0.271 267 N C -0.280 175.083 175.510 -0.245 0.000 1.069 267 N CA 0.129 52.843 53.050 -0.560 0.000 0.965 267 N CB 1.443 39.560 38.487 -0.618 0.000 1.092 267 N HN 0.314 nan 8.380 nan 0.000 0.476 268 A N 3.836 126.584 122.820 -0.121 0.000 2.401 268 A HA 0.285 4.605 4.320 -0.000 0.000 0.259 268 A C -0.373 177.206 177.584 -0.009 0.000 1.103 268 A CA -0.190 51.822 52.037 -0.042 0.000 0.789 268 A CB 0.296 19.308 19.000 0.021 0.000 1.035 268 A HN 0.729 nan 8.150 nan 0.000 0.491 269 K N 3.247 123.642 120.400 -0.008 0.000 2.376 269 K HA 0.492 4.812 4.320 -0.000 0.000 0.257 269 K C -0.773 175.838 176.600 0.020 0.000 0.939 269 K CA -0.930 55.359 56.287 0.002 0.000 0.809 269 K CB 1.437 33.928 32.500 -0.016 0.000 1.121 269 K HN 0.728 nan 8.250 nan 0.000 0.425 270 D N 1.323 121.740 120.400 0.030 0.000 3.452 270 D HA -0.244 4.396 4.640 -0.000 0.000 0.164 270 D C -0.247 176.079 176.300 0.044 0.000 1.074 270 D CA 1.139 55.160 54.000 0.034 0.000 1.069 270 D CB -0.232 40.583 40.800 0.024 0.000 0.527 270 D HN 0.757 nan 8.370 nan 0.000 0.558 271 D N 1.734 122.159 120.400 0.041 0.000 2.615 271 D HA 0.063 4.703 4.640 -0.000 0.000 0.236 271 D C -0.024 176.314 176.300 0.063 0.000 1.233 271 D CA 0.128 54.160 54.000 0.053 0.000 0.829 271 D CB 0.263 41.090 40.800 0.045 0.000 1.024 271 D HN 0.192 nan 8.370 nan 0.000 0.490 272 E N 0.459 120.691 120.200 0.053 0.000 2.238 272 E HA 0.516 4.866 4.350 -0.000 0.000 0.267 272 E C -0.098 176.523 176.600 0.034 0.000 0.887 272 E CA -0.522 55.910 56.400 0.054 0.000 0.769 272 E CB 2.238 31.953 29.700 0.025 0.000 1.187 272 E HN 0.178 nan 8.360 nan 0.000 0.416 273 G N 1.296 110.122 108.800 0.042 0.000 2.619 273 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.686 273 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.686 273 G C 0.273 175.066 174.900 -0.178 0.000 1.256 273 G CA -0.355 44.691 45.100 -0.089 0.000 0.826 273 G HN 0.377 nan 8.290 nan 0.000 0.619 274 V N 0.190 119.847 119.914 -0.428 0.000 2.446 274 V HA 0.266 4.385 4.120 -0.000 0.000 0.244 274 V C 1.335 177.294 176.094 -0.226 0.000 1.039 274 V CA 1.723 63.640 62.300 -0.640 0.000 1.045 274 V CB -0.387 31.043 31.823 -0.655 0.000 0.681 274 V HN 0.534 nan 8.190 nan 0.000 0.459 275 L N 0.063 121.218 121.223 -0.114 0.000 2.406 275 L HA 0.461 4.801 4.340 -0.000 0.000 0.272 275 L C -0.905 176.047 176.870 0.137 0.000 0.980 275 L CA -0.504 54.361 54.840 0.041 0.000 0.831 275 L CB 2.359 44.529 42.059 0.185 0.000 1.253 275 L HN -0.099 nan 8.230 nan 0.000 0.406 276 V N 2.677 122.689 119.914 0.162 0.000 2.508 276 V HA 0.267 4.386 4.120 -0.000 0.000 0.281 276 V C 0.992 177.313 176.094 0.379 0.000 1.041 276 V CA -0.282 62.166 62.300 0.248 0.000 1.016 276 V CB 0.991 32.974 31.823 0.267 0.000 0.984 276 V HN 0.855 nan 8.190 nan 0.000 0.478 277 G N 3.435 112.491 108.800 0.426 0.000 2.432 277 G HA2 0.482 4.442 3.960 -0.000 0.000 0.257 277 G HA3 0.482 4.442 3.960 -0.000 0.000 0.257 277 G C -0.178 174.891 174.900 0.283 0.000 1.238 277 G CA -0.025 45.322 45.100 0.411 0.000 0.838 277 G HN 0.884 nan 8.290 nan 0.000 0.547 278 S N 1.288 116.950 115.700 -0.063 0.000 2.543 278 S HA 0.492 4.962 4.470 -0.000 0.000 0.271 278 S C -1.035 173.630 174.600 0.109 0.000 1.148 278 S CA -0.815 57.465 58.200 0.134 0.000 0.914 278 S CB 0.936 64.098 63.200 -0.063 0.000 1.096 278 S HN 0.666 nan 8.310 nan 0.000 0.471 279 W N 3.558 124.919 121.300 0.102 0.000 1.903 279 W HA 0.210 4.869 4.660 -0.001 0.000 0.349 279 W C 0.171 176.533 176.519 -0.262 0.000 0.814 279 W CA -0.415 56.953 57.345 0.038 0.000 2.728 279 W CB 0.601 29.936 29.460 -0.208 0.000 1.621 279 W HN 0.906 nan 8.180 nan 0.000 0.644 280 D N -1.233 119.122 120.400 -0.074 0.000 2.369 280 D HA -0.045 4.595 4.640 -0.000 0.000 0.211 280 D C 0.876 176.973 176.300 -0.339 0.000 1.077 280 D CA -0.038 53.794 54.000 -0.278 0.000 0.842 280 D CB -0.019 40.614 40.800 -0.278 0.000 0.947 280 D HN 0.119 nan 8.370 nan 0.000 0.509 281 N N -1.300 117.162 118.700 -0.397 0.000 2.984 281 N HA -0.181 4.559 4.740 -0.000 0.000 0.227 281 N C 0.257 175.542 175.510 -0.376 0.000 0.903 281 N CA 1.343 54.336 53.050 -0.094 0.000 0.995 281 N CB -1.334 37.253 38.487 0.166 0.000 1.065 281 N HN 0.415 nan 8.380 nan 0.000 0.585 282 I N -2.379 117.688 120.570 -0.837 0.000 3.570 282 I HA 0.084 4.253 4.170 -0.000 0.000 0.270 282 I C -0.073 175.816 176.117 -0.379 0.000 1.162 282 I CA 0.323 61.358 61.300 -0.441 0.000 1.413 282 I CB 0.205 38.050 38.000 -0.258 0.000 1.437 282 I HN 0.100 nan 8.210 nan 0.000 0.457 283 Y N 0.907 121.157 120.300 -0.084 0.000 3.380 283 Y HA -0.146 4.404 4.550 -0.001 0.000 0.211 283 Y C 0.506 176.473 175.900 0.111 0.000 1.394 283 Y CA -0.163 57.882 58.100 -0.093 0.000 1.479 283 Y CB -2.521 35.961 38.460 0.036 0.000 1.483 283 Y HN 0.222 nan 8.280 nan 0.000 0.566 284 A N -0.824 122.046 122.820 0.084 0.000 2.445 284 A HA 0.425 4.745 4.320 -0.000 0.000 0.242 284 A C 0.544 178.260 177.584 0.220 0.000 1.075 284 A CA 0.514 52.541 52.037 -0.018 0.000 0.777 284 A CB -0.177 18.770 19.000 -0.089 0.000 1.013 284 A HN 0.859 nan 8.150 nan 0.000 0.493 285 Y N -0.966 119.456 120.300 0.204 0.000 4.604 285 Y HA -0.238 4.312 4.550 -0.000 0.000 0.230 285 Y C 1.080 177.059 175.900 0.132 0.000 1.066 285 Y CA 1.450 59.646 58.100 0.161 0.000 1.990 285 Y CB -1.658 36.895 38.460 0.156 0.000 1.619 285 Y HN 1.375 nan 8.280 nan 0.000 0.649 286 G N -1.775 107.191 108.800 0.277 0.000 2.793 286 G HA2 0.637 4.597 3.960 -0.000 0.000 0.248 286 G HA3 0.637 4.597 3.960 -0.000 0.000 0.248 286 G C -1.495 173.442 174.900 0.061 0.000 1.198 286 G CA -0.107 45.016 45.100 0.037 0.000 0.865 286 G HN 0.128 nan 8.290 nan 0.000 0.534 287 V N 2.022 121.919 119.914 -0.028 0.000 2.495 287 V HA 0.478 4.598 4.120 -0.000 0.000 0.298 287 V C -2.290 173.675 176.094 -0.216 0.000 1.031 287 V CA -1.449 60.691 62.300 -0.268 0.000 0.871 287 V CB 2.109 33.516 31.823 -0.694 0.000 0.988 287 V HN 0.484 nan 8.190 nan 0.000 0.432 288 P HA 0.138 nan 4.420 nan 0.000 0.264 288 P C -2.089 174.916 177.300 -0.493 0.000 1.193 288 P CA -1.026 61.787 63.100 -0.478 0.000 0.763 288 P CB 0.216 31.775 31.700 -0.236 0.000 0.810 289 P HA -0.198 nan 4.420 nan 0.000 0.217 289 P C 1.280 178.653 177.300 0.122 0.000 1.148 289 P CA 1.716 64.704 63.100 -0.187 0.000 0.834 289 P CB -0.185 31.226 31.700 -0.482 0.000 0.783 290 S N -1.388 114.389 115.700 0.128 0.000 2.474 290 S HA -0.012 4.458 4.470 -0.000 0.000 0.235 290 S C 1.870 176.499 174.600 0.050 0.000 0.997 290 S CA 1.033 59.394 58.200 0.269 0.000 0.949 290 S CB -0.596 62.731 63.200 0.212 0.000 0.766 290 S HN 0.171 nan 8.310 nan 0.000 0.517 291 A N 0.134 122.816 122.820 -0.231 0.000 2.030 291 A HA 0.156 4.475 4.320 -0.000 0.000 0.215 291 A C 0.328 177.580 177.584 -0.554 0.000 1.164 291 A CA -0.300 51.431 52.037 -0.510 0.000 0.697 291 A CB -0.370 18.179 19.000 -0.751 0.000 0.827 291 A HN 0.540 nan 8.150 nan 0.000 0.457 292 W N 0.781 121.989 121.300 -0.153 0.000 2.193 292 W HA 0.249 4.909 4.660 -0.001 0.000 0.338 292 W C 1.376 177.779 176.519 -0.194 0.000 1.310 292 W CA 0.532 57.785 57.345 -0.152 0.000 1.243 292 W CB 0.414 29.868 29.460 -0.010 0.000 1.165 292 W HN 0.239 nan 8.180 nan 0.000 0.566 293 T N -0.321 114.175 114.554 -0.097 0.000 3.001 293 T HA 0.513 4.862 4.350 -0.000 0.000 0.251 293 T C 0.615 174.790 174.700 -0.875 0.000 1.040 293 T CA 0.321 62.250 62.100 -0.286 0.000 0.985 293 T CB 0.259 69.066 68.868 -0.102 0.000 1.011 293 T HN 0.657 nan 8.240 nan 0.000 0.509 294 G N 0.134 108.187 108.800 -1.245 0.000 2.428 294 G HA2 0.425 4.385 3.960 -0.000 0.000 0.304 294 G HA3 0.425 4.385 3.960 -0.000 0.000 0.304 294 G C 0.009 174.355 174.900 -0.924 0.000 1.303 294 G CA -0.042 43.979 45.100 -1.800 0.000 0.825 294 G HN -0.093 nan 8.290 nan 0.000 0.484 295 S N -0.899 114.618 115.700 -0.305 0.000 2.478 295 S HA 0.041 4.510 4.470 -0.000 0.000 0.222 295 S C 2.399 176.996 174.600 -0.005 0.000 1.008 295 S CA 0.894 59.147 58.200 0.087 0.000 0.928 295 S CB 0.224 63.626 63.200 0.337 0.000 0.781 295 S HN 0.410 nan 8.310 nan 0.000 0.518 296 V N 3.656 123.552 119.914 -0.030 0.000 2.270 296 V HA -0.177 3.942 4.120 -0.000 0.000 0.245 296 V C 2.384 178.496 176.094 0.029 0.000 1.043 296 V CA 2.027 64.344 62.300 0.028 0.000 1.014 296 V CB -0.664 31.183 31.823 0.042 0.000 0.645 296 V HN 0.586 nan 8.190 nan 0.000 0.447 297 D N -0.151 120.266 120.400 0.029 0.000 2.264 297 D HA -0.138 4.502 4.640 -0.000 0.000 0.208 297 D C 1.957 178.257 176.300 0.001 0.000 0.966 297 D CA 1.033 55.076 54.000 0.071 0.000 0.864 297 D CB -0.340 40.565 40.800 0.174 0.000 0.933 297 D HN 0.470 nan 8.370 nan 0.000 0.499 298 I N 0.287 120.750 120.570 -0.178 0.000 2.202 298 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 298 I C 2.586 178.664 176.117 -0.065 0.000 1.091 298 I CA 0.781 61.887 61.300 -0.323 0.000 1.368 298 I CB -0.159 37.487 38.000 -0.589 0.000 1.058 298 I HN -0.062 nan 8.210 nan 0.000 0.410 299 L N 0.057 121.289 121.223 0.013 0.000 2.056 299 L HA -0.179 4.160 4.340 -0.000 0.000 0.207 299 L C 2.466 179.438 176.870 0.169 0.000 1.078 299 L CA 1.159 56.081 54.840 0.136 0.000 0.749 299 L CB -0.377 41.775 42.059 0.156 0.000 0.901 299 L HN 0.240 nan 8.230 nan 0.000 0.433 300 L N -0.583 120.698 121.223 0.098 0.000 2.141 300 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 300 L C 2.567 179.467 176.870 0.050 0.000 1.094 300 L CA 0.938 55.817 54.840 0.065 0.000 0.763 300 L CB -0.419 41.671 42.059 0.051 0.000 0.908 300 L HN 0.280 nan 8.230 nan 0.000 0.437 301 E N 0.080 120.324 120.200 0.072 0.000 2.028 301 E HA -0.271 4.079 4.350 -0.000 0.000 0.191 301 E C 2.089 178.747 176.600 0.097 0.000 0.988 301 E CA 1.336 57.779 56.400 0.073 0.000 0.799 301 E CB -0.433 29.323 29.700 0.093 0.000 0.755 301 E HN 0.349 nan 8.360 nan 0.000 0.447 302 Y N 1.304 121.611 120.300 0.013 0.000 2.002 302 Y HA -0.346 4.203 4.550 -0.001 0.000 0.268 302 Y C 2.432 178.368 175.900 0.060 0.000 1.177 302 Y CA 2.782 60.913 58.100 0.051 0.000 1.111 302 Y CB -0.752 37.752 38.460 0.074 0.000 0.952 302 Y HN 0.043 nan 8.280 nan 0.000 0.491 303 R N 0.813 121.238 120.500 -0.124 0.000 2.096 303 R HA -0.176 4.164 4.340 -0.000 0.000 0.240 303 R C 2.530 178.619 176.300 -0.352 0.000 1.139 303 R CA 2.428 58.279 56.100 -0.416 0.000 0.952 303 R CB -1.149 28.984 30.300 -0.279 0.000 0.854 303 R HN 0.595 nan 8.270 nan 0.000 0.436 304 S N -0.939 114.658 115.700 -0.172 0.000 2.357 304 S HA -0.111 4.359 4.470 -0.000 0.000 0.221 304 S C 2.032 176.570 174.600 -0.103 0.000 1.031 304 S CA 0.955 59.077 58.200 -0.129 0.000 0.982 304 S CB -0.644 62.516 63.200 -0.067 0.000 0.853 304 S HN 0.488 nan 8.310 nan 0.000 0.458 305 S N 1.397 117.056 115.700 -0.070 0.000 2.453 305 S HA 0.016 4.485 4.470 -0.000 0.000 0.231 305 S C 0.673 175.233 174.600 -0.066 0.000 1.005 305 S CA 0.775 58.950 58.200 -0.043 0.000 0.949 305 S CB -0.767 62.432 63.200 -0.000 0.000 0.774 305 S HN 0.613 nan 8.310 nan 0.000 0.510 306 E N 0.424 120.537 120.200 -0.145 0.000 2.971 306 E HA -0.154 4.196 4.350 -0.000 0.000 0.278 306 E C -0.767 175.784 176.600 -0.082 0.000 1.009 306 E CA 0.620 56.934 56.400 -0.144 0.000 0.862 306 E CB -1.764 27.917 29.700 -0.032 0.000 1.436 306 E HN 0.627 nan 8.360 nan 0.000 0.434 307 N N -0.273 118.422 118.700 -0.009 0.000 2.405 307 N HA 0.387 5.127 4.740 -0.000 0.000 0.285 307 N C -2.806 172.856 175.510 0.253 0.000 1.262 307 N CA -1.811 51.303 53.050 0.107 0.000 0.773 307 N CB 1.753 40.280 38.487 0.067 0.000 1.490 307 N HN -0.253 nan 8.380 nan 0.000 0.486 308 P HA 0.017 nan 4.420 nan 0.000 0.266 308 P C -0.459 176.917 177.300 0.127 0.000 1.193 308 P CA 0.022 63.230 63.100 0.180 0.000 0.770 308 P CB 0.589 32.352 31.700 0.104 0.000 0.836 309 V N 4.521 124.488 119.914 0.088 0.000 2.472 309 V HA 0.350 4.469 4.120 -0.000 0.000 0.290 309 V C 0.672 176.764 176.094 -0.004 0.000 1.037 309 V CA -0.457 61.873 62.300 0.050 0.000 0.908 309 V CB 1.201 33.034 31.823 0.017 0.000 0.985 309 V HN 0.429 nan 8.190 nan 0.000 0.454 310 R N 3.706 124.143 120.500 -0.105 0.000 2.294 310 R HA 0.667 5.006 4.340 -0.000 0.000 0.319 310 R C -1.519 174.724 176.300 -0.096 0.000 0.984 310 R CA -0.343 55.465 56.100 -0.488 0.000 0.861 310 R CB 1.263 30.845 30.300 -1.198 0.000 1.104 310 R HN 0.659 nan 8.270 nan 0.000 0.451 311 Y N -0.375 120.110 120.300 0.309 0.000 2.669 311 Y HA 0.702 5.251 4.550 -0.001 0.000 0.335 311 Y C 0.669 176.621 175.900 0.086 0.000 1.116 311 Y CA -1.048 57.146 58.100 0.158 0.000 1.081 311 Y CB 2.304 40.807 38.460 0.071 0.000 1.297 311 Y HN 0.663 nan 8.280 nan 0.000 0.484 312 G N -0.097 108.719 108.800 0.028 0.000 2.658 312 G HA2 0.714 4.674 3.960 -0.000 0.000 0.292 312 G HA3 0.714 4.674 3.960 -0.000 0.000 0.292 312 G C -1.691 172.604 174.900 -1.008 0.000 1.320 312 G CA -0.631 44.215 45.100 -0.423 0.000 0.933 312 G HN 0.490 nan 8.290 nan 0.000 0.476 313 Q N -1.628 117.299 119.800 -1.455 0.000 2.991 313 Q HA 0.275 4.615 4.340 -0.000 0.000 0.322 313 Q C 1.598 176.845 176.000 -1.256 0.000 0.978 313 Q CA -0.483 54.423 55.803 -1.494 0.000 0.787 313 Q CB 1.770 29.813 28.738 -1.157 0.000 1.492 313 Q HN 0.774 nan 8.270 nan 0.000 0.498 314 C N -1.072 118.110 119.300 -0.198 0.000 2.429 314 C HA -0.060 4.400 4.460 -0.000 0.000 0.277 314 C C 2.125 177.105 174.990 -0.016 0.000 1.262 314 C CA 0.938 60.050 59.018 0.156 0.000 1.733 314 C CB -1.611 26.590 27.740 0.768 0.000 2.010 314 C HN 0.980 nan 8.230 nan 0.000 0.483 315 W N 2.050 123.326 121.300 -0.040 0.000 2.425 315 W HA 0.131 4.791 4.660 -0.000 0.000 0.277 315 W C 1.751 178.017 176.519 -0.421 0.000 1.231 315 W CA 1.085 58.319 57.345 -0.185 0.000 1.248 315 W CB -1.024 28.325 29.460 -0.185 0.000 1.117 315 W HN 0.154 nan 8.180 nan 0.000 0.568 316 V N 1.319 120.528 119.914 -1.175 0.000 2.323 316 V HA -0.275 3.845 4.120 -0.000 0.000 0.244 316 V C 2.353 178.224 176.094 -0.371 0.000 1.041 316 V CA 1.700 63.491 62.300 -0.848 0.000 1.025 316 V CB -1.161 30.177 31.823 -0.808 0.000 0.656 316 V HN 0.062 nan 8.190 nan 0.000 0.451 317 F N 1.362 121.144 119.950 -0.279 0.000 2.065 317 F HA -0.211 4.315 4.527 -0.000 0.000 0.298 317 F C 2.556 178.330 175.800 -0.045 0.000 1.112 317 F CA 1.257 59.183 58.000 -0.123 0.000 1.212 317 F CB -1.684 37.286 39.000 -0.049 0.000 0.975 317 F HN 0.133 nan 8.300 nan 0.000 0.476 318 A N 0.306 123.210 122.820 0.141 0.000 1.908 318 A HA -0.075 4.244 4.320 -0.000 0.000 0.218 318 A C 2.630 180.228 177.584 0.023 0.000 1.181 318 A CA 1.926 54.037 52.037 0.123 0.000 0.627 318 A CB -1.571 17.469 19.000 0.067 0.000 0.818 318 A HN 0.419 nan 8.150 nan 0.000 0.445 319 G N -0.525 108.125 108.800 -0.251 0.000 2.433 319 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.216 319 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.216 319 G C 1.529 176.577 174.900 0.246 0.000 1.186 319 G CA 1.314 46.193 45.100 -0.367 0.000 0.779 319 G HN 0.329 nan 8.290 nan 0.000 0.543 320 V N 0.291 120.355 119.914 0.251 0.000 2.343 320 V HA -0.130 3.990 4.120 -0.000 0.000 0.247 320 V C 2.374 178.649 176.094 0.302 0.000 1.051 320 V CA 1.724 64.196 62.300 0.286 0.000 1.036 320 V CB -0.599 31.326 31.823 0.170 0.000 0.654 320 V HN 0.331 nan 8.190 nan 0.000 0.451 321 F N 1.596 121.605 119.950 0.098 0.000 2.186 321 F HA -0.138 4.389 4.527 -0.000 0.000 0.299 321 F C 2.137 178.022 175.800 0.142 0.000 1.090 321 F CA 1.814 59.877 58.000 0.104 0.000 1.307 321 F CB -0.626 38.406 39.000 0.053 0.000 1.019 321 F HN 0.210 nan 8.300 nan 0.000 0.489 322 N N -0.872 117.833 118.700 0.008 0.000 2.244 322 N HA -0.144 4.596 4.740 -0.000 0.000 0.183 322 N C 1.705 177.071 175.510 -0.241 0.000 1.016 322 N CA 1.839 54.751 53.050 -0.229 0.000 0.866 322 N CB -0.214 38.081 38.487 -0.320 0.000 0.980 322 N HN 0.201 nan 8.380 nan 0.000 0.430 323 T N -0.304 114.258 114.554 0.013 0.000 2.701 323 T HA -0.113 4.237 4.350 -0.000 0.000 0.263 323 T C 1.481 176.210 174.700 0.048 0.000 1.040 323 T CA 1.109 63.255 62.100 0.077 0.000 1.147 323 T CB -0.566 68.449 68.868 0.245 0.000 0.865 323 T HN 0.278 nan 8.240 nan 0.000 0.426 324 F N 1.923 121.862 119.950 -0.019 0.000 2.065 324 F HA -0.124 4.403 4.527 -0.000 0.000 0.298 324 F C 1.931 177.688 175.800 -0.072 0.000 1.112 324 F CA 1.286 59.288 58.000 0.005 0.000 1.212 324 F CB -0.604 38.449 39.000 0.089 0.000 0.975 324 F HN 0.055 nan 8.300 nan 0.000 0.476 325 L N 0.028 121.145 121.223 -0.176 0.000 1.970 325 L HA -0.250 4.089 4.340 -0.000 0.000 0.212 325 L C 2.704 179.465 176.870 -0.181 0.000 1.071 325 L CA 1.893 56.571 54.840 -0.270 0.000 0.751 325 L CB -0.789 41.053 42.059 -0.363 0.000 0.889 325 L HN 0.039 nan 8.230 nan 0.000 0.432 326 R N -1.134 119.265 120.500 -0.167 0.000 2.148 326 R HA -0.138 4.202 4.340 -0.000 0.000 0.227 326 R C 2.427 178.683 176.300 -0.073 0.000 1.103 326 R CA 1.214 57.250 56.100 -0.106 0.000 0.983 326 R CB -0.636 29.559 30.300 -0.174 0.000 0.874 326 R HN 0.475 nan 8.270 nan 0.000 0.451 327 C N 0.657 119.891 119.300 -0.110 0.000 2.429 327 C HA -0.010 4.450 4.460 -0.000 0.000 0.277 327 C C 2.237 177.287 174.990 0.100 0.000 1.262 327 C CA 0.673 59.680 59.018 -0.019 0.000 1.733 327 C CB -0.748 26.977 27.740 -0.026 0.000 2.010 327 C HN 0.438 nan 8.230 nan 0.000 0.483 328 L N 0.021 121.241 121.223 -0.006 0.000 2.492 328 L HA 0.239 4.579 4.340 -0.000 0.000 0.223 328 L C 1.998 179.064 176.870 0.326 0.000 1.132 328 L CA 1.138 56.045 54.840 0.113 0.000 0.850 328 L CB -0.375 41.702 42.059 0.030 0.000 0.966 328 L HN 0.619 nan 8.230 nan 0.000 0.454 329 G N 0.231 109.180 108.800 0.247 0.000 2.192 329 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.193 329 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.193 329 G C 0.225 175.236 174.900 0.184 0.000 0.999 329 G CA -0.579 44.710 45.100 0.314 0.000 0.659 329 G HN 0.177 nan 8.290 nan 0.000 0.503 330 I N 2.770 123.341 120.570 0.001 0.000 2.379 330 I HA 0.236 4.406 4.170 -0.000 0.000 0.290 330 I C -1.863 174.234 176.117 -0.034 0.000 1.063 330 I CA -1.945 59.277 61.300 -0.131 0.000 1.351 330 I CB 0.950 38.768 38.000 -0.304 0.000 1.410 330 I HN -0.107 nan 8.210 nan 0.000 0.505 331 P HA 0.136 nan 4.420 nan 0.000 0.266 331 P C -0.828 176.576 177.300 0.174 0.000 1.195 331 P CA 0.052 63.194 63.100 0.069 0.000 0.768 331 P CB 0.710 32.391 31.700 -0.032 0.000 0.838 332 A N 2.889 125.812 122.820 0.172 0.000 2.594 332 A HA 0.732 5.052 4.320 -0.000 0.000 0.296 332 A C -0.935 176.620 177.584 -0.050 0.000 1.061 332 A CA -0.704 51.381 52.037 0.079 0.000 0.689 332 A CB 1.547 20.492 19.000 -0.092 0.000 1.280 332 A HN 0.665 nan 8.150 nan 0.000 0.406 333 R N 0.962 121.347 120.500 -0.191 0.000 2.764 333 R HA 0.845 5.185 4.340 -0.000 0.000 0.270 333 R C -1.727 174.467 176.300 -0.177 0.000 1.014 333 R CA -0.833 55.143 56.100 -0.205 0.000 0.904 333 R CB 1.240 31.333 30.300 -0.344 0.000 1.236 333 R HN 0.499 nan 8.270 nan 0.000 0.466 334 I N 2.019 122.532 120.570 -0.095 0.000 2.412 334 I HA 0.392 4.561 4.170 -0.000 0.000 0.296 334 I C -0.056 175.959 176.117 -0.169 0.000 0.987 334 I CA -1.226 60.021 61.300 -0.088 0.000 1.180 334 I CB 2.110 40.108 38.000 -0.003 0.000 1.340 334 I HN 0.527 nan 8.210 nan 0.000 0.455 335 V N 1.815 121.534 119.914 -0.326 0.000 2.715 335 V HA 0.674 4.794 4.120 -0.000 0.000 0.310 335 V C -0.309 175.447 176.094 -0.564 0.000 1.054 335 V CA -0.233 61.785 62.300 -0.470 0.000 0.928 335 V CB 1.800 33.240 31.823 -0.638 0.000 1.007 335 V HN 0.696 nan 8.190 nan 0.000 0.437 336 T N 3.868 118.132 114.554 -0.482 0.000 2.792 336 T HA 0.460 4.809 4.350 -0.000 0.000 0.280 336 T C -0.566 173.740 174.700 -0.656 0.000 0.990 336 T CA -0.163 61.626 62.100 -0.520 0.000 0.960 336 T CB 0.989 69.625 68.868 -0.387 0.000 0.939 336 T HN 0.956 nan 8.240 nan 0.000 0.439 337 N N 2.158 120.468 118.700 -0.649 0.000 2.417 337 N HA 0.308 5.047 4.740 -0.000 0.000 0.274 337 N C -1.633 173.723 175.510 -0.257 0.000 0.987 337 N CA -0.531 52.261 53.050 -0.431 0.000 0.912 337 N CB 0.405 38.731 38.487 -0.269 0.000 1.177 337 N HN 0.435 nan 8.380 nan 0.000 0.490 338 Y N 3.663 123.916 120.300 -0.078 0.000 2.313 338 Y HA 0.365 4.915 4.550 -0.000 0.000 0.332 338 Y C -0.135 175.696 175.900 -0.115 0.000 1.071 338 Y CA -0.232 57.776 58.100 -0.153 0.000 1.169 338 Y CB 0.410 38.680 38.460 -0.316 0.000 1.192 338 Y HN 0.387 nan 8.280 nan 0.000 0.487 339 F N 1.151 121.233 119.950 0.220 0.000 2.460 339 F HA -0.233 4.294 4.527 -0.001 0.000 0.328 339 F C 0.262 176.149 175.800 0.144 0.000 1.081 339 F CA 0.051 58.131 58.000 0.134 0.000 1.136 339 F CB -1.566 37.362 39.000 -0.120 0.000 1.527 339 F HN 0.351 nan 8.300 nan 0.000 0.806 340 S N 1.301 117.215 115.700 0.357 0.000 2.462 340 S HA 0.818 5.287 4.470 -0.000 0.000 0.294 340 S C 0.178 174.863 174.600 0.142 0.000 1.144 340 S CA -0.006 58.335 58.200 0.236 0.000 1.088 340 S CB 1.143 64.498 63.200 0.259 0.000 1.009 340 S HN 0.806 nan 8.310 nan 0.000 0.484 341 A N 4.434 127.313 122.820 0.100 0.000 2.798 341 A HA 0.372 4.691 4.320 -0.000 0.000 0.316 341 A C -0.228 177.328 177.584 -0.047 0.000 1.506 341 A CA -0.204 51.861 52.037 0.047 0.000 1.162 341 A CB -0.545 18.488 19.000 0.054 0.000 1.138 341 A HN 0.930 nan 8.150 nan 0.000 0.532 342 H N 1.250 120.120 119.070 -0.334 0.000 2.488 342 H HA 0.320 4.876 4.556 -0.000 0.000 0.347 342 H C 0.153 175.348 175.328 -0.223 0.000 1.174 342 H CA 0.091 55.844 56.048 -0.492 0.000 1.307 342 H CB 0.723 29.733 29.762 -1.254 0.000 1.517 342 H HN 0.728 nan 8.280 nan 0.000 0.554 343 D N 1.562 121.617 120.400 -0.574 0.000 2.772 343 D HA -0.229 4.411 4.640 -0.000 0.000 0.233 343 D C 0.407 176.636 176.300 -0.117 0.000 1.143 343 D CA 1.020 54.851 54.000 -0.282 0.000 0.700 343 D CB -1.450 39.272 40.800 -0.130 0.000 1.076 343 D HN 0.774 nan 8.370 nan 0.000 0.430 344 N N 0.571 119.221 118.700 -0.083 0.000 2.409 344 N HA -0.072 4.667 4.740 -0.000 0.000 0.179 344 N C 0.704 176.246 175.510 0.054 0.000 1.032 344 N CA 1.114 54.164 53.050 0.000 0.000 0.898 344 N CB 0.123 38.614 38.487 0.006 0.000 0.971 344 N HN 0.169 nan 8.380 nan 0.000 0.441 345 D N -1.547 118.945 120.400 0.154 0.000 2.945 345 D HA -0.250 4.390 4.640 -0.000 0.000 0.225 345 D C 0.468 176.832 176.300 0.106 0.000 1.158 345 D CA 1.148 55.288 54.000 0.234 0.000 0.805 345 D CB -1.443 39.423 40.800 0.110 0.000 1.098 345 D HN 0.685 nan 8.370 nan 0.000 0.426 346 A N -1.475 121.297 122.820 -0.080 0.000 2.910 346 A HA -0.374 3.946 4.320 -0.000 0.000 0.267 346 A C 0.451 177.967 177.584 -0.113 0.000 1.310 346 A CA 1.618 53.466 52.037 -0.316 0.000 0.934 346 A CB -2.432 16.142 19.000 -0.710 0.000 1.057 346 A HN 0.715 nan 8.150 nan 0.000 0.742 347 N N -0.649 118.029 118.700 -0.036 0.000 2.513 347 N HA 0.483 5.223 4.740 -0.000 0.000 0.268 347 N C 0.647 176.163 175.510 0.011 0.000 1.180 347 N CA -0.096 52.949 53.050 -0.009 0.000 0.948 347 N CB 0.445 38.934 38.487 0.003 0.000 1.083 347 N HN 0.381 nan 8.380 nan 0.000 0.455 348 L N 1.426 122.664 121.223 0.026 0.000 2.653 348 L HA 0.121 4.460 4.340 -0.000 0.000 0.232 348 L C -0.019 176.864 176.870 0.021 0.000 1.169 348 L CA 0.411 55.279 54.840 0.046 0.000 0.951 348 L CB -0.396 41.717 42.059 0.089 0.000 1.181 348 L HN 0.482 nan 8.230 nan 0.000 0.460 349 Q N 1.363 121.164 119.800 0.002 0.000 2.292 349 Q HA 0.504 4.843 4.340 -0.000 0.000 0.270 349 Q C -0.963 175.012 176.000 -0.042 0.000 1.024 349 Q CA -0.408 55.380 55.803 -0.024 0.000 0.768 349 Q CB 3.013 31.734 28.738 -0.028 0.000 1.250 349 Q HN 0.057 nan 8.270 nan 0.000 0.447 350 M N 2.304 121.861 119.600 -0.071 0.000 2.294 350 M HA 0.417 4.897 4.480 -0.000 0.000 0.335 350 M C -1.622 174.560 176.300 -0.197 0.000 1.079 350 M CA -0.186 55.060 55.300 -0.090 0.000 0.982 350 M CB 1.353 33.922 32.600 -0.052 0.000 1.651 350 M HN 0.297 nan 8.290 nan 0.000 0.437 351 D N 5.264 125.528 120.400 -0.226 0.000 2.177 351 D HA 0.470 5.110 4.640 -0.000 0.000 0.247 351 D C -0.891 175.123 176.300 -0.478 0.000 1.063 351 D CA 0.198 53.931 54.000 -0.445 0.000 0.867 351 D CB 1.255 41.685 40.800 -0.617 0.000 1.168 351 D HN 0.549 nan 8.370 nan 0.000 0.445 352 I N 2.102 122.306 120.570 -0.611 0.000 2.378 352 I HA 0.265 4.434 4.170 -0.000 0.000 0.291 352 I C -0.365 175.426 176.117 -0.544 0.000 0.992 352 I CA -0.587 60.455 61.300 -0.429 0.000 1.154 352 I CB 0.811 38.634 38.000 -0.295 0.000 1.315 352 I HN 0.114 nan 8.210 nan 0.000 0.448 353 F N 6.321 126.194 119.950 -0.128 0.000 2.394 353 F HA 0.505 5.032 4.527 -0.000 0.000 0.340 353 F C -0.214 175.507 175.800 -0.131 0.000 1.105 353 F CA -0.588 57.324 58.000 -0.148 0.000 1.124 353 F CB 0.900 39.792 39.000 -0.179 0.000 1.145 353 F HN 0.120 nan 8.300 nan 0.000 0.505 354 L N 3.435 124.690 121.223 0.055 0.000 2.333 354 L HA 0.327 4.666 4.340 -0.000 0.000 0.280 354 L C 0.095 176.956 176.870 -0.016 0.000 1.004 354 L CA -1.040 53.793 54.840 -0.012 0.000 0.820 354 L CB 1.282 43.343 42.059 0.003 0.000 1.247 354 L HN 0.573 nan 8.230 nan 0.000 0.416 355 E N 2.894 123.056 120.200 -0.064 0.000 2.458 355 E HA -0.080 4.270 4.350 -0.000 0.000 0.264 355 E C 0.468 177.039 176.600 -0.049 0.000 1.097 355 E CA 0.041 56.401 56.400 -0.068 0.000 0.973 355 E CB 0.759 30.390 29.700 -0.116 0.000 0.963 355 E HN 0.535 nan 8.360 nan 0.000 0.451 356 E N 1.223 121.406 120.200 -0.029 0.000 2.171 356 E HA -0.232 4.118 4.350 -0.000 0.000 0.197 356 E C 1.296 177.890 176.600 -0.010 0.000 0.997 356 E CA 1.491 57.885 56.400 -0.011 0.000 0.810 356 E CB -0.039 29.660 29.700 -0.003 0.000 0.738 356 E HN 0.502 nan 8.360 nan 0.000 0.467 357 D N -1.007 119.373 120.400 -0.034 0.000 2.347 357 D HA -0.038 4.602 4.640 -0.000 0.000 0.215 357 D C 1.382 177.722 176.300 0.067 0.000 0.976 357 D CA 1.034 55.041 54.000 0.013 0.000 0.884 357 D CB 0.248 41.043 40.800 -0.010 0.000 0.915 357 D HN 0.258 nan 8.370 nan 0.000 0.526 358 G N -0.479 108.302 108.800 -0.032 0.000 2.231 358 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.206 358 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.206 358 G C 0.174 175.008 174.900 -0.109 0.000 0.996 358 G CA -0.214 44.902 45.100 0.026 0.000 0.645 358 G HN 0.349 nan 8.290 nan 0.000 0.498 359 N N 0.457 118.864 118.700 -0.487 0.000 2.415 359 N HA 0.319 5.059 4.740 -0.000 0.000 0.248 359 N C 0.683 176.029 175.510 -0.273 0.000 1.271 359 N CA 0.221 52.961 53.050 -0.517 0.000 0.913 359 N CB 1.326 39.440 38.487 -0.623 0.000 1.129 359 N HN 0.114 nan 8.380 nan 0.000 0.444 360 V N 2.302 122.053 119.914 -0.273 0.000 2.637 360 V HA -0.021 4.099 4.120 -0.000 0.000 0.296 360 V C 0.804 176.776 176.094 -0.204 0.000 1.046 360 V CA -0.418 61.705 62.300 -0.295 0.000 1.066 360 V CB 0.787 32.251 31.823 -0.599 0.000 0.968 360 V HN 0.579 nan 8.190 nan 0.000 0.483 361 N N 3.057 121.683 118.700 -0.124 0.000 2.469 361 N HA 0.074 4.814 4.740 -0.000 0.000 0.239 361 N C 1.025 176.502 175.510 -0.054 0.000 1.053 361 N CA 0.268 53.274 53.050 -0.074 0.000 0.937 361 N CB 1.423 39.892 38.487 -0.031 0.000 1.163 361 N HN 0.726 nan 8.380 nan 0.000 0.509 362 S N 2.767 118.430 115.700 -0.062 0.000 2.527 362 S HA -0.027 4.443 4.470 -0.000 0.000 0.222 362 S C 1.576 176.171 174.600 -0.009 0.000 0.985 362 S CA 0.281 58.464 58.200 -0.030 0.000 0.921 362 S CB 0.144 63.332 63.200 -0.019 0.000 0.772 362 S HN 0.406 nan 8.310 nan 0.000 0.529 363 K N 1.802 122.187 120.400 -0.025 0.000 2.103 363 K HA 0.237 4.556 4.320 -0.000 0.000 0.204 363 K C 1.714 178.289 176.600 -0.042 0.000 1.052 363 K CA 1.184 57.452 56.287 -0.032 0.000 0.945 363 K CB -0.561 31.913 32.500 -0.044 0.000 0.722 363 K HN 0.472 nan 8.250 nan 0.000 0.443 364 L N -0.389 120.802 121.223 -0.054 0.000 2.354 364 L HA 0.087 4.427 4.340 -0.000 0.000 0.212 364 L C 0.313 177.244 176.870 0.102 0.000 1.091 364 L CA 0.292 55.066 54.840 -0.111 0.000 0.828 364 L CB 0.003 41.851 42.059 -0.352 0.000 0.973 364 L HN -0.092 nan 8.230 nan 0.000 0.461 365 T N 1.721 116.373 114.554 0.163 0.000 2.848 365 T HA 0.077 4.426 4.350 -0.000 0.000 0.283 365 T C 0.950 175.717 174.700 0.113 0.000 0.919 365 T CA 0.079 62.294 62.100 0.191 0.000 1.071 365 T CB 0.358 69.277 68.868 0.086 0.000 0.912 365 T HN 0.022 nan 8.240 nan 0.000 0.570 366 K N 1.427 121.897 120.400 0.117 0.000 2.440 366 K HA 0.168 4.488 4.320 -0.000 0.000 0.207 366 K C -0.174 176.457 176.600 0.050 0.000 1.112 366 K CA -0.019 56.306 56.287 0.064 0.000 1.036 366 K CB 0.806 33.333 32.500 0.044 0.000 0.935 366 K HN 0.448 nan 8.250 nan 0.000 0.564 367 D N 1.039 121.475 120.400 0.061 0.000 2.210 367 D HA 0.262 4.901 4.640 -0.000 0.000 0.249 367 D C -0.406 175.921 176.300 0.045 0.000 1.062 367 D CA 0.065 54.093 54.000 0.046 0.000 0.891 367 D CB 1.625 42.447 40.800 0.037 0.000 1.186 367 D HN -0.211 nan 8.370 nan 0.000 0.432 368 S N 0.377 116.110 115.700 0.055 0.000 2.538 368 S HA 0.454 4.924 4.470 -0.000 0.000 0.288 368 S C -0.185 174.498 174.600 0.138 0.000 1.108 368 S CA -0.864 57.363 58.200 0.046 0.000 0.971 368 S CB 1.876 65.072 63.200 -0.006 0.000 1.041 368 S HN 0.159 nan 8.310 nan 0.000 0.483 369 V N 2.502 122.497 119.914 0.135 0.000 2.546 369 V HA 0.307 4.426 4.120 -0.000 0.000 0.284 369 V C -0.639 175.678 176.094 0.373 0.000 1.050 369 V CA -0.590 61.874 62.300 0.273 0.000 0.981 369 V CB 0.425 32.401 31.823 0.255 0.000 0.990 369 V HN 0.835 nan 8.190 nan 0.000 0.474 370 W N 3.401 124.763 121.300 0.103 0.000 2.238 370 W HA 0.368 5.027 4.660 -0.001 0.000 0.321 370 W C 1.384 178.029 176.519 0.210 0.000 1.293 370 W CA -0.903 56.472 57.345 0.049 0.000 1.204 370 W CB -0.211 29.220 29.460 -0.049 0.000 1.167 370 W HN 0.528 nan 8.180 nan 0.000 0.553 371 N N 1.361 120.290 118.700 0.381 0.000 2.104 371 N HA -0.174 4.565 4.740 -0.000 0.000 0.190 371 N C -0.114 175.630 175.510 0.390 0.000 1.024 371 N CA 1.490 54.782 53.050 0.404 0.000 0.853 371 N CB -0.339 38.395 38.487 0.411 0.000 1.008 371 N HN 0.551 nan 8.380 nan 0.000 0.424 372 Y N -2.608 117.905 120.300 0.355 0.000 2.625 372 Y HA 0.647 5.197 4.550 -0.000 0.000 0.338 372 Y C -1.086 175.118 175.900 0.507 0.000 1.123 372 Y CA -1.468 56.725 58.100 0.155 0.000 1.046 372 Y CB 0.992 39.378 38.460 -0.122 0.000 1.299 372 Y HN -0.021 nan 8.280 nan 0.000 0.464 373 H N 0.367 119.577 119.070 0.233 0.000 2.947 373 H HA 0.687 5.242 4.556 -0.000 0.000 0.354 373 H C -1.830 173.605 175.328 0.179 0.000 1.085 373 H CA -1.186 55.032 56.048 0.284 0.000 1.253 373 H CB 1.590 31.400 29.762 0.080 0.000 1.757 373 H HN 1.121 nan 8.280 nan 0.000 0.523 374 C N 4.800 124.061 119.300 -0.065 0.000 2.366 374 C HA 0.721 5.181 4.460 -0.000 0.000 0.345 374 C C -0.521 174.346 174.990 -0.204 0.000 1.209 374 C CA -0.411 58.501 59.018 -0.177 0.000 2.050 374 C CB -1.059 26.727 27.740 0.076 0.000 2.359 374 C HN 0.895 nan 8.230 nan 0.000 0.527 375 W N 1.407 122.571 121.300 -0.226 0.000 3.069 375 W HA 0.686 5.346 4.660 0.000 0.000 0.390 375 W C -1.324 175.195 176.519 -0.000 0.000 1.130 375 W CA -0.724 56.557 57.345 -0.107 0.000 1.138 375 W CB 0.187 29.584 29.460 -0.105 0.000 1.497 375 W HN 0.471 nan 8.180 nan 0.000 0.600 376 N N -0.005 118.959 118.700 0.440 0.000 2.402 376 N HA 0.510 5.250 4.740 -0.000 0.000 0.294 376 N C -1.571 174.146 175.510 0.344 0.000 1.203 376 N CA -1.013 52.205 53.050 0.281 0.000 0.838 376 N CB 2.058 40.770 38.487 0.375 0.000 1.306 376 N HN 0.420 nan 8.380 nan 0.000 0.510 377 E N 0.048 120.346 120.200 0.164 0.000 2.248 377 E HA 0.731 5.081 4.350 -0.000 0.000 0.267 377 E C -1.373 175.417 176.600 0.318 0.000 0.877 377 E CA -1.051 55.484 56.400 0.226 0.000 0.759 377 E CB 2.151 31.813 29.700 -0.063 0.000 1.182 377 E HN 0.550 nan 8.360 nan 0.000 0.418 378 A N 3.030 126.106 122.820 0.428 0.000 2.393 378 A HA 0.393 4.712 4.320 -0.000 0.000 0.306 378 A C -1.632 176.140 177.584 0.313 0.000 1.050 378 A CA -0.676 51.548 52.037 0.312 0.000 0.724 378 A CB 1.105 20.192 19.000 0.144 0.000 1.248 378 A HN 0.704 nan 8.150 nan 0.000 0.424 379 W N 5.863 127.112 121.300 -0.086 0.000 2.331 379 W HA 0.612 5.272 4.660 -0.000 0.000 0.306 379 W C -1.003 175.351 176.519 -0.275 0.000 1.162 379 W CA -0.220 56.864 57.345 -0.436 0.000 1.232 379 W CB 1.153 30.079 29.460 -0.890 0.000 1.235 379 W HN 0.834 nan 8.180 nan 0.000 0.479 380 M N 3.857 123.090 119.600 -0.611 0.000 2.732 380 M HA 0.285 4.764 4.480 -0.000 0.000 0.272 380 M C -0.297 175.715 176.300 -0.480 0.000 1.203 380 M CA -0.692 54.355 55.300 -0.422 0.000 0.841 380 M CB 1.439 33.920 32.600 -0.199 0.000 1.685 380 M HN 0.240 nan 8.290 nan 0.000 0.492 381 T N 0.027 114.408 114.554 -0.288 0.000 2.855 381 T HA 0.336 4.686 4.350 -0.000 0.000 0.322 381 T C 0.017 174.625 174.700 -0.153 0.000 1.088 381 T CA -0.326 61.648 62.100 -0.211 0.000 1.104 381 T CB 0.382 69.183 68.868 -0.111 0.000 0.996 381 T HN 0.682 nan 8.240 nan 0.000 0.549 382 R N 2.941 123.366 120.500 -0.126 0.000 2.477 382 R HA 0.273 4.612 4.340 -0.000 0.000 0.285 382 R C -2.029 174.227 176.300 -0.073 0.000 1.415 382 R CA -2.316 53.737 56.100 -0.078 0.000 1.446 382 R CB 1.143 31.405 30.300 -0.063 0.000 1.110 382 R HN 0.607 nan 8.270 nan 0.000 0.590 383 P HA -0.063 nan 4.420 nan 0.000 0.231 383 P C 0.362 177.631 177.300 -0.052 0.000 1.168 383 P CA 0.627 63.696 63.100 -0.052 0.000 0.779 383 P CB 0.373 32.056 31.700 -0.027 0.000 0.844 384 D N -0.382 119.989 120.400 -0.048 0.000 2.371 384 D HA -0.048 4.592 4.640 -0.000 0.000 0.221 384 D C 0.696 176.925 176.300 -0.119 0.000 0.986 384 D CA 0.489 54.454 54.000 -0.059 0.000 0.899 384 D CB -0.283 40.492 40.800 -0.042 0.000 0.902 384 D HN 0.241 nan 8.370 nan 0.000 0.530 385 L N -0.407 120.722 121.223 -0.158 0.000 2.301 385 L HA 0.449 4.788 4.340 -0.000 0.000 0.264 385 L C -2.307 174.416 176.870 -0.244 0.000 1.016 385 L CA -2.519 52.141 54.840 -0.299 0.000 0.821 385 L CB 1.744 43.632 42.059 -0.286 0.000 1.346 385 L HN -0.358 nan 8.230 nan 0.000 0.429 386 P HA -0.032 nan 4.420 nan 0.000 0.269 386 P C -0.744 176.392 177.300 -0.273 0.000 1.205 386 P CA -0.327 62.633 63.100 -0.233 0.000 0.780 386 P CB 0.200 31.780 31.700 -0.200 0.000 0.858 387 V N -1.422 118.328 119.914 -0.274 0.000 2.872 387 V HA 0.438 4.558 4.120 -0.000 0.000 0.307 387 V C 1.413 177.208 176.094 -0.498 0.000 1.072 387 V CA 0.415 62.542 62.300 -0.288 0.000 1.148 387 V CB -0.354 31.346 31.823 -0.206 0.000 0.954 387 V HN 0.998 nan 8.190 nan 0.000 0.490 388 G N 2.449 110.992 108.800 -0.429 0.000 2.184 388 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.206 388 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.206 388 G C -0.076 174.570 174.900 -0.424 0.000 0.995 388 G CA 0.271 45.076 45.100 -0.493 0.000 0.651 388 G HN 0.808 nan 8.290 nan 0.000 0.511 389 F N 2.129 121.967 119.950 -0.185 0.000 2.661 389 F HA 0.498 5.025 4.527 -0.000 0.000 0.306 389 F C 1.833 177.505 175.800 -0.213 0.000 1.094 389 F CA -0.652 57.239 58.000 -0.182 0.000 1.254 389 F CB 0.183 39.065 39.000 -0.198 0.000 1.040 389 F HN 0.304 nan 8.300 nan 0.000 0.562 390 G N -0.272 108.458 108.800 -0.118 0.000 2.653 390 G HA2 0.449 4.409 3.960 -0.000 0.000 0.265 390 G HA3 0.449 4.409 3.960 -0.000 0.000 0.265 390 G C 0.633 175.250 174.900 -0.472 0.000 1.237 390 G CA 0.429 45.356 45.100 -0.288 0.000 0.946 390 G HN 0.652 nan 8.290 nan 0.000 0.522 391 G N -1.450 106.779 108.800 -0.951 0.000 2.464 391 G HA2 -0.151 3.808 3.960 -0.000 0.000 0.216 391 G HA3 -0.151 3.808 3.960 -0.000 0.000 0.216 391 G C -0.278 173.992 174.900 -1.050 0.000 1.186 391 G CA -0.257 43.847 45.100 -1.660 0.000 1.010 391 G HN 0.839 nan 8.290 nan 0.000 0.585 392 W N 2.287 123.407 121.300 -0.301 0.000 2.322 392 W HA 0.504 5.163 4.660 -0.001 0.000 0.328 392 W C 0.616 177.095 176.519 -0.067 0.000 1.395 392 W CA -0.187 57.144 57.345 -0.023 0.000 1.267 392 W CB 0.576 30.088 29.460 0.088 0.000 1.259 392 W HN 0.348 nan 8.180 nan 0.000 0.560 393 Q N 2.962 122.923 119.800 0.268 0.000 2.316 393 Q HA 0.553 4.892 4.340 -0.000 0.000 0.264 393 Q C -0.187 175.980 176.000 0.277 0.000 0.987 393 Q CA -0.786 55.132 55.803 0.192 0.000 0.852 393 Q CB 1.744 30.558 28.738 0.128 0.000 1.287 393 Q HN 0.537 nan 8.270 nan 0.000 0.448 394 A N 2.097 125.075 122.820 0.263 0.000 2.363 394 A HA 0.575 4.895 4.320 -0.000 0.000 0.270 394 A C -0.331 177.386 177.584 0.222 0.000 1.121 394 A CA -0.363 51.874 52.037 0.332 0.000 0.800 394 A CB 0.561 19.753 19.000 0.319 0.000 1.052 394 A HN 0.438 nan 8.150 nan 0.000 0.493 395 V N 3.323 123.403 119.914 0.276 0.000 2.524 395 V HA 0.297 4.417 4.120 -0.000 0.000 0.297 395 V C -1.177 175.018 176.094 0.169 0.000 1.035 395 V CA -0.655 61.763 62.300 0.197 0.000 0.867 395 V CB 1.785 33.816 31.823 0.346 0.000 1.004 395 V HN 0.948 nan 8.190 nan 0.000 0.426 396 D N 2.906 123.316 120.400 0.016 0.000 2.414 396 D HA 0.304 4.944 4.640 -0.000 0.000 0.232 396 D C 1.089 177.397 176.300 0.012 0.000 1.070 396 D CA -0.089 53.952 54.000 0.068 0.000 0.839 396 D CB 2.056 42.830 40.800 -0.043 0.000 1.079 396 D HN 0.524 nan 8.370 nan 0.000 0.521 397 S N 1.529 117.217 115.700 -0.019 0.000 2.603 397 S HA 0.021 4.490 4.470 -0.000 0.000 0.220 397 S C 0.652 175.210 174.600 -0.071 0.000 0.967 397 S CA -0.249 57.842 58.200 -0.182 0.000 0.920 397 S CB -0.332 62.646 63.200 -0.370 0.000 0.773 397 S HN 0.372 nan 8.310 nan 0.000 0.529 398 T N 4.894 119.583 114.554 0.225 0.000 2.794 398 T HA 0.381 4.730 4.350 -0.000 0.000 0.296 398 T C -2.627 172.239 174.700 0.277 0.000 0.949 398 T CA -1.090 61.237 62.100 0.379 0.000 1.101 398 T CB 0.967 70.197 68.868 0.603 0.000 0.905 398 T HN 0.175 nan 8.240 nan 0.000 0.516 399 P HA 0.237 nan 4.420 nan 0.000 0.272 399 P C -0.351 176.985 177.300 0.060 0.000 1.230 399 P CA -0.392 62.745 63.100 0.061 0.000 0.788 399 P CB 0.517 32.201 31.700 -0.025 0.000 0.949 400 Q N -0.835 118.878 119.800 -0.145 0.000 2.737 400 Q HA 0.417 4.757 4.340 -0.000 0.000 0.307 400 Q C -1.168 174.654 176.000 -0.297 0.000 0.905 400 Q CA -1.043 54.583 55.803 -0.295 0.000 0.753 400 Q CB 0.706 29.066 28.738 -0.631 0.000 1.463 400 Q HN 0.109 nan 8.270 nan 0.000 0.455 401 E N 1.993 122.027 120.200 -0.277 0.000 2.299 401 E HA 0.130 4.479 4.350 -0.000 0.000 0.272 401 E C -0.714 175.587 176.600 -0.498 0.000 1.043 401 E CA 0.303 56.543 56.400 -0.267 0.000 0.895 401 E CB 0.612 30.224 29.700 -0.147 0.000 1.011 401 E HN 0.624 nan 8.360 nan 0.000 0.432 402 N N -0.084 118.289 118.700 -0.544 0.000 3.124 402 N HA 0.095 4.835 4.740 -0.000 0.000 0.350 402 N C 0.825 176.097 175.510 -0.396 0.000 1.411 402 N CA -0.134 52.273 53.050 -1.072 0.000 0.729 402 N CB -0.393 37.555 38.487 -0.899 0.000 1.379 402 N HN 0.122 nan 8.380 nan 0.000 0.599 403 S N -1.683 113.932 115.700 -0.141 0.000 2.419 403 S HA -0.117 4.353 4.470 -0.000 0.000 0.233 403 S C 0.443 175.063 174.600 0.034 0.000 1.016 403 S CA 1.316 59.559 58.200 0.072 0.000 0.974 403 S CB -0.464 62.811 63.200 0.125 0.000 0.786 403 S HN 0.546 nan 8.310 nan 0.000 0.492 404 D N 0.999 121.412 120.400 0.022 0.000 2.324 404 D HA 0.461 5.100 4.640 -0.000 0.000 0.212 404 D C 1.171 177.589 176.300 0.196 0.000 0.984 404 D CA 1.169 55.221 54.000 0.087 0.000 0.885 404 D CB 0.516 41.321 40.800 0.008 0.000 0.996 404 D HN 0.596 nan 8.370 nan 0.000 0.505 405 G N -0.102 108.792 108.800 0.156 0.000 2.351 405 G HA2 0.157 4.116 3.960 -0.000 0.000 0.279 405 G HA3 0.157 4.116 3.960 -0.000 0.000 0.279 405 G C -1.514 173.239 174.900 -0.245 0.000 1.297 405 G CA -0.676 44.415 45.100 -0.015 0.000 0.886 405 G HN -0.004 nan 8.290 nan 0.000 0.493 406 M N 1.503 120.776 119.600 -0.546 0.000 2.497 406 M HA 0.728 5.208 4.480 -0.000 0.000 0.336 406 M C -1.606 174.275 176.300 -0.697 0.000 1.378 406 M CA -0.726 54.282 55.300 -0.487 0.000 1.375 406 M CB -1.347 31.041 32.600 -0.353 0.000 1.337 406 M HN 0.435 nan 8.290 nan 0.000 0.461 407 Y N 1.504 121.712 120.300 -0.153 0.000 2.655 407 Y HA 0.607 5.157 4.550 -0.001 0.000 0.336 407 Y C -0.299 175.504 175.900 -0.162 0.000 1.154 407 Y CA -1.455 56.553 58.100 -0.153 0.000 1.055 407 Y CB 0.920 39.285 38.460 -0.158 0.000 1.295 407 Y HN 0.606 nan 8.280 nan 0.000 0.465 408 R N -0.128 120.387 120.500 0.025 0.000 2.817 408 R HA 0.381 4.721 4.340 -0.000 0.000 0.264 408 R C -1.226 175.034 176.300 -0.067 0.000 1.009 408 R CA -0.201 55.861 56.100 -0.063 0.000 1.133 408 R CB -0.442 29.758 30.300 -0.167 0.000 1.013 408 R HN 0.519 nan 8.270 nan 0.000 0.453 409 C N 1.772 121.031 119.300 -0.068 0.000 2.417 409 C HA 0.940 5.399 4.460 -0.000 0.000 0.324 409 C C 0.560 175.538 174.990 -0.020 0.000 1.240 409 C CA 0.699 59.688 59.018 -0.049 0.000 1.632 409 C CB 0.544 28.257 27.740 -0.046 0.000 2.241 409 C HN 1.151 nan 8.230 nan 0.000 0.499 410 G N 4.562 113.389 108.800 0.045 0.000 2.434 410 G HA2 0.018 3.977 3.960 -0.000 0.000 0.671 410 G HA3 0.018 3.977 3.960 -0.000 0.000 0.671 410 G C -3.370 171.564 174.900 0.056 0.000 1.280 410 G CA -1.033 44.138 45.100 0.118 0.000 0.975 410 G HN 0.480 nan 8.290 nan 0.000 0.510 411 P HA 0.491 nan 4.420 nan 0.000 0.271 411 P C -0.278 177.189 177.300 0.278 0.000 1.220 411 P CA 0.677 63.914 63.100 0.228 0.000 0.768 411 P CB 1.260 33.088 31.700 0.212 0.000 0.848 412 A N 2.786 125.714 122.820 0.180 0.000 2.304 412 A HA 0.445 4.764 4.320 -0.000 0.000 0.314 412 A C 0.393 178.026 177.584 0.083 0.000 1.187 412 A CA -0.669 51.443 52.037 0.125 0.000 0.810 412 A CB 0.614 19.682 19.000 0.113 0.000 1.183 412 A HN 0.475 nan 8.150 nan 0.000 0.487 413 S N 2.188 117.900 115.700 0.019 0.000 2.546 413 S HA 0.116 4.586 4.470 -0.000 0.000 0.290 413 S C 1.295 175.887 174.600 -0.014 0.000 1.290 413 S CA -0.148 58.046 58.200 -0.010 0.000 1.069 413 S CB 0.235 63.380 63.200 -0.090 0.000 0.846 413 S HN 0.764 nan 8.310 nan 0.000 0.495 414 V N 5.656 125.556 119.914 -0.022 0.000 2.427 414 V HA -0.109 4.011 4.120 -0.000 0.000 0.248 414 V C 2.663 178.705 176.094 -0.087 0.000 1.051 414 V CA 1.559 63.757 62.300 -0.171 0.000 1.048 414 V CB -0.661 30.978 31.823 -0.307 0.000 0.666 414 V HN 0.814 nan 8.190 nan 0.000 0.456 415 Q N -0.101 119.726 119.800 0.044 0.000 2.135 415 Q HA -0.171 4.169 4.340 -0.000 0.000 0.204 415 Q C 2.427 178.591 176.000 0.273 0.000 0.981 415 Q CA 1.917 57.848 55.803 0.213 0.000 0.856 415 Q CB -0.493 28.428 28.738 0.305 0.000 0.902 415 Q HN 0.665 nan 8.270 nan 0.000 0.425 416 A N 0.557 123.364 122.820 -0.021 0.000 1.930 416 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 416 A C 2.140 179.746 177.584 0.036 0.000 1.175 416 A CA 0.797 52.663 52.037 -0.285 0.000 0.627 416 A CB -0.518 18.073 19.000 -0.683 0.000 0.815 416 A HN 0.282 nan 8.150 nan 0.000 0.443 417 I N -0.400 120.226 120.570 0.093 0.000 2.142 417 I HA -0.279 3.891 4.170 -0.000 0.000 0.240 417 I C 2.524 178.835 176.117 0.323 0.000 1.078 417 I CA 1.871 63.328 61.300 0.262 0.000 1.343 417 I CB -0.246 37.889 38.000 0.224 0.000 1.046 417 I HN 0.337 nan 8.210 nan 0.000 0.405 418 K N 0.427 120.920 120.400 0.156 0.000 2.074 418 K HA -0.240 4.080 4.320 -0.000 0.000 0.209 418 K C 1.764 178.428 176.600 0.107 0.000 1.048 418 K CA 1.898 58.196 56.287 0.018 0.000 0.926 418 K CB -0.122 32.256 32.500 -0.203 0.000 0.713 418 K HN 0.428 nan 8.250 nan 0.000 0.444 419 H N -1.757 117.456 119.070 0.238 0.000 2.539 419 H HA 0.198 4.754 4.556 -0.001 0.000 0.269 419 H C 0.892 176.361 175.328 0.234 0.000 0.980 419 H CA 0.671 56.867 56.048 0.248 0.000 1.152 419 H CB 0.905 30.642 29.762 -0.041 0.000 1.407 419 H HN 0.535 nan 8.280 nan 0.000 0.564 420 G N 0.679 109.687 108.800 0.347 0.000 2.143 420 G HA2 -0.315 3.644 3.960 -0.000 0.000 0.248 420 G HA3 -0.315 3.644 3.960 -0.000 0.000 0.248 420 G C -0.416 174.603 174.900 0.198 0.000 0.991 420 G CA -0.031 45.153 45.100 0.140 0.000 0.689 420 G HN 0.448 nan 8.290 nan 0.000 0.522 421 H N 0.321 119.432 119.070 0.067 0.000 2.855 421 H HA 0.406 4.962 4.556 -0.000 0.000 0.238 421 H C 1.651 176.870 175.328 -0.183 0.000 1.847 421 H CA 0.135 56.173 56.048 -0.018 0.000 1.368 421 H CB 0.126 29.945 29.762 0.096 0.000 1.758 421 H HN 0.561 nan 8.280 nan 0.000 0.546 422 V N -1.351 118.498 119.914 -0.108 0.000 3.647 422 V HA -0.033 4.087 4.120 -0.000 0.000 0.279 422 V C 1.922 177.883 176.094 -0.222 0.000 1.314 422 V CA 0.339 62.547 62.300 -0.153 0.000 1.125 422 V CB -0.958 30.740 31.823 -0.209 0.000 0.907 422 V HN 0.653 nan 8.190 nan 0.000 0.434 423 C N -1.424 117.619 119.300 -0.428 0.000 2.448 423 C HA 0.247 4.707 4.460 -0.000 0.000 0.280 423 C C 1.085 175.749 174.990 -0.543 0.000 1.398 423 C CA -0.610 58.081 59.018 -0.545 0.000 1.774 423 C CB -1.813 25.393 27.740 -0.890 0.000 1.888 423 C HN 0.376 nan 8.230 nan 0.000 0.519 424 F N 3.417 123.217 119.950 -0.250 0.000 2.467 424 F HA 0.304 4.831 4.527 -0.000 0.000 0.362 424 F C 1.096 176.731 175.800 -0.276 0.000 1.090 424 F CA -0.775 57.065 58.000 -0.267 0.000 1.202 424 F CB 0.197 39.011 39.000 -0.310 0.000 1.113 424 F HN 0.395 nan 8.300 nan 0.000 0.541 425 Q N 2.425 122.113 119.800 -0.186 0.000 2.395 425 Q HA 0.285 4.625 4.340 -0.000 0.000 0.271 425 Q C -1.702 174.050 176.000 -0.412 0.000 1.026 425 Q CA 0.248 55.755 55.803 -0.494 0.000 0.900 425 Q CB 0.472 28.590 28.738 -1.034 0.000 1.266 425 Q HN 0.495 nan 8.270 nan 0.000 0.430 426 F N 0.594 120.568 119.950 0.039 0.000 2.556 426 F HA 0.245 4.772 4.527 -0.001 0.000 0.314 426 F C -0.275 175.561 175.800 0.060 0.000 1.106 426 F CA -0.885 57.138 58.000 0.037 0.000 0.911 426 F CB 1.794 40.803 39.000 0.015 0.000 1.190 426 F HN 0.757 nan 8.300 nan 0.000 0.448 427 D N 0.961 121.522 120.400 0.269 0.000 2.837 427 D HA -0.251 4.389 4.640 -0.000 0.000 0.230 427 D C 1.329 177.810 176.300 0.303 0.000 1.152 427 D CA 0.854 55.053 54.000 0.332 0.000 0.736 427 D CB -0.996 39.929 40.800 0.208 0.000 1.084 427 D HN 0.663 nan 8.370 nan 0.000 0.429 428 A N -0.158 122.759 122.820 0.161 0.000 1.972 428 A HA -0.063 4.257 4.320 -0.000 0.000 0.219 428 A C -0.120 177.506 177.584 0.070 0.000 1.169 428 A CA 1.400 53.498 52.037 0.101 0.000 0.635 428 A CB -0.814 18.209 19.000 0.038 0.000 0.810 428 A HN 0.282 nan 8.150 nan 0.000 0.446 429 P HA -0.120 nan 4.420 nan 0.000 0.217 429 P C 0.925 178.066 177.300 -0.265 0.000 1.150 429 P CA 1.006 63.952 63.100 -0.257 0.000 0.832 429 P CB -0.177 31.196 31.700 -0.546 0.000 0.787 430 F N -1.281 118.688 119.950 0.032 0.000 2.206 430 F HA -0.111 4.415 4.527 -0.001 0.000 0.298 430 F C 2.300 178.083 175.800 -0.028 0.000 1.090 430 F CA 0.940 58.932 58.000 -0.014 0.000 1.323 430 F CB -1.533 37.429 39.000 -0.063 0.000 1.028 430 F HN -0.279 nan 8.300 nan 0.000 0.492 431 V N -0.442 119.548 119.914 0.128 0.000 2.379 431 V HA -0.271 3.849 4.120 -0.000 0.000 0.245 431 V C 2.151 178.299 176.094 0.090 0.000 1.044 431 V CA 1.427 63.725 62.300 -0.004 0.000 1.036 431 V CB -0.825 30.980 31.823 -0.030 0.000 0.664 431 V HN 0.284 nan 8.190 nan 0.000 0.453 432 F N 1.805 121.770 119.950 0.025 0.000 2.087 432 F HA -0.298 4.228 4.527 -0.000 0.000 0.299 432 F C 2.279 178.097 175.800 0.030 0.000 1.100 432 F CA 1.978 60.006 58.000 0.047 0.000 1.226 432 F CB -0.401 38.608 39.000 0.015 0.000 0.983 432 F HN 0.097 nan 8.300 nan 0.000 0.479 433 A N -0.837 122.087 122.820 0.173 0.000 2.066 433 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 433 A C 1.958 179.549 177.584 0.011 0.000 1.157 433 A CA 1.445 53.530 52.037 0.081 0.000 0.670 433 A CB -0.774 18.260 19.000 0.057 0.000 0.804 433 A HN 0.519 nan 8.150 nan 0.000 0.453 434 E N 0.035 120.239 120.200 0.008 0.000 2.150 434 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 434 E C 1.663 178.296 176.600 0.056 0.000 0.985 434 E CA 1.718 58.130 56.400 0.019 0.000 0.814 434 E CB -0.102 29.572 29.700 -0.043 0.000 0.752 434 E HN 0.537 nan 8.360 nan 0.000 0.466 435 V N -2.390 117.525 119.914 0.003 0.000 3.644 435 V HA 0.291 4.411 4.120 -0.000 0.000 0.267 435 V C 0.972 177.017 176.094 -0.081 0.000 1.277 435 V CA 0.481 62.778 62.300 -0.004 0.000 1.096 435 V CB 0.140 31.959 31.823 -0.005 0.000 0.828 435 V HN 0.112 nan 8.190 nan 0.000 0.446 436 N N 0.600 119.195 118.700 -0.174 0.000 2.177 436 N HA 0.254 4.993 4.740 -0.000 0.000 0.218 436 N C 0.386 175.860 175.510 -0.061 0.000 1.182 436 N CA 0.131 53.058 53.050 -0.204 0.000 0.882 436 N CB 0.944 39.106 38.487 -0.541 0.000 1.052 436 N HN 0.406 nan 8.380 nan 0.000 0.519 437 S N 1.062 116.756 115.700 -0.009 0.000 2.584 437 S HA 0.138 4.607 4.470 -0.000 0.000 0.270 437 S C 0.008 174.628 174.600 0.033 0.000 1.346 437 S CA -0.028 58.186 58.200 0.023 0.000 1.018 437 S CB 0.968 64.184 63.200 0.028 0.000 0.899 437 S HN 0.107 nan 8.310 nan 0.000 0.542 438 D N 0.959 121.373 120.400 0.022 0.000 2.228 438 D HA 0.386 5.026 4.640 -0.000 0.000 0.247 438 D C -0.317 175.966 176.300 -0.027 0.000 0.995 438 D CA -0.449 53.562 54.000 0.018 0.000 0.903 438 D CB 0.983 41.791 40.800 0.015 0.000 1.205 438 D HN 0.287 nan 8.370 nan 0.000 0.459 439 L N 1.750 122.944 121.223 -0.049 0.000 2.290 439 L HA 0.300 4.639 4.340 -0.000 0.000 0.284 439 L C -0.231 176.491 176.870 -0.246 0.000 1.078 439 L CA -0.532 54.190 54.840 -0.198 0.000 0.815 439 L CB 0.584 42.498 42.059 -0.241 0.000 1.162 439 L HN 0.118 nan 8.230 nan 0.000 0.435 440 I N 4.043 124.413 120.570 -0.334 0.000 2.354 440 I HA 0.246 4.416 4.170 -0.000 0.000 0.286 440 I C -0.253 175.602 176.117 -0.436 0.000 1.007 440 I CA -0.733 60.408 61.300 -0.264 0.000 1.167 440 I CB 0.807 38.697 38.000 -0.184 0.000 1.320 440 I HN 0.351 nan 8.210 nan 0.000 0.458 441 Y N 6.613 126.842 120.300 -0.120 0.000 2.359 441 Y HA 0.480 5.030 4.550 -0.000 0.000 0.334 441 Y C 0.569 176.379 175.900 -0.150 0.000 1.058 441 Y CA -0.114 57.901 58.100 -0.143 0.000 1.244 441 Y CB 0.862 39.276 38.460 -0.076 0.000 1.187 441 Y HN 0.337 nan 8.280 nan 0.000 0.510 442 I N 2.861 123.361 120.570 -0.116 0.000 2.533 442 I HA 0.264 4.434 4.170 -0.000 0.000 0.290 442 I C -0.534 175.575 176.117 -0.012 0.000 1.056 442 I CA -0.818 60.422 61.300 -0.100 0.000 1.057 442 I CB 2.172 40.028 38.000 -0.239 0.000 1.240 442 I HN 0.487 nan 8.210 nan 0.000 0.423 443 T N 4.730 119.305 114.554 0.034 0.000 2.832 443 T HA 0.453 4.803 4.350 -0.000 0.000 0.296 443 T C 0.191 174.930 174.700 0.066 0.000 0.968 443 T CA -0.403 61.726 62.100 0.048 0.000 1.107 443 T CB 1.130 70.025 68.868 0.044 0.000 0.916 443 T HN 0.666 nan 8.240 nan 0.000 0.517 444 A N 4.390 127.240 122.820 0.049 0.000 2.341 444 A HA 0.443 4.763 4.320 -0.000 0.000 0.326 444 A C 0.377 178.018 177.584 0.095 0.000 1.402 444 A CA -0.808 51.267 52.037 0.064 0.000 0.957 444 A CB 0.095 19.039 19.000 -0.093 0.000 1.151 444 A HN 0.794 nan 8.150 nan 0.000 0.533 445 K N 1.096 121.576 120.400 0.133 0.000 2.180 445 K HA 0.096 4.416 4.320 -0.000 0.000 0.251 445 K C 0.869 177.496 176.600 0.045 0.000 1.014 445 K CA -0.256 56.073 56.287 0.070 0.000 0.913 445 K CB 0.817 33.355 32.500 0.064 0.000 1.008 445 K HN 0.618 nan 8.250 nan 0.000 0.490 446 K N 1.352 121.764 120.400 0.021 0.000 2.211 446 K HA -0.168 4.152 4.320 -0.000 0.000 0.204 446 K C 0.797 177.399 176.600 0.003 0.000 1.047 446 K CA 1.922 58.213 56.287 0.007 0.000 0.935 446 K CB 0.012 32.512 32.500 0.001 0.000 0.728 446 K HN 0.626 nan 8.250 nan 0.000 0.452 447 D N -2.153 118.251 120.400 0.006 0.000 2.342 447 D HA 0.125 4.765 4.640 -0.000 0.000 0.221 447 D C 0.984 177.273 176.300 -0.017 0.000 1.101 447 D CA 0.537 54.534 54.000 -0.006 0.000 0.837 447 D CB 0.291 41.089 40.800 -0.004 0.000 0.938 447 D HN 0.256 nan 8.370 nan 0.000 0.508 448 G N 0.089 108.882 108.800 -0.011 0.000 2.213 448 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.236 448 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.236 448 G C 0.569 175.398 174.900 -0.117 0.000 0.991 448 G CA 0.367 45.435 45.100 -0.053 0.000 0.629 448 G HN 0.768 nan 8.290 nan 0.000 0.517 449 T N -1.312 113.211 114.554 -0.051 0.000 2.847 449 T HA 0.667 5.017 4.350 -0.000 0.000 0.279 449 T C -0.345 174.426 174.700 0.118 0.000 0.984 449 T CA -0.287 61.774 62.100 -0.064 0.000 0.988 449 T CB 2.006 70.870 68.868 -0.007 0.000 1.040 449 T HN 0.316 nan 8.240 nan 0.000 0.528 450 H N -0.678 118.415 119.070 0.038 0.000 2.679 450 H HA 0.660 5.216 4.556 -0.000 0.000 0.360 450 H C -0.956 174.410 175.328 0.064 0.000 1.105 450 H CA -1.018 55.075 56.048 0.074 0.000 1.196 450 H CB 1.545 31.379 29.762 0.119 0.000 1.636 450 H HN 0.654 nan 8.280 nan 0.000 0.531 451 V N 4.105 124.125 119.914 0.177 0.000 2.444 451 V HA 0.409 4.529 4.120 -0.000 0.000 0.294 451 V C -0.757 175.381 176.094 0.074 0.000 1.022 451 V CA -0.670 61.691 62.300 0.103 0.000 0.850 451 V CB 1.313 33.179 31.823 0.072 0.000 0.992 451 V HN 0.515 nan 8.190 nan 0.000 0.426 452 V N 7.756 127.706 119.914 0.060 0.000 2.529 452 V HA 0.268 4.388 4.120 -0.000 0.000 0.292 452 V C 1.008 177.124 176.094 0.038 0.000 1.028 452 V CA 0.187 62.510 62.300 0.038 0.000 1.074 452 V CB 0.664 32.505 31.823 0.031 0.000 0.958 452 V HN 1.019 nan 8.190 nan 0.000 0.481 453 E N 3.557 123.784 120.200 0.045 0.000 2.101 453 E HA 0.138 4.488 4.350 -0.000 0.000 0.194 453 E C 0.348 176.977 176.600 0.049 0.000 0.950 453 E CA 0.469 56.895 56.400 0.042 0.000 0.917 453 E CB 0.228 29.954 29.700 0.044 0.000 0.963 453 E HN 0.878 nan 8.360 nan 0.000 0.476 454 N N 0.018 118.776 118.700 0.096 0.000 2.647 454 N HA 0.282 5.022 4.740 -0.000 0.000 0.266 454 N C -1.159 174.447 175.510 0.159 0.000 1.373 454 N CA -0.648 52.463 53.050 0.102 0.000 0.807 454 N CB 2.843 41.372 38.487 0.069 0.000 1.513 454 N HN 0.009 nan 8.380 nan 0.000 0.505 455 V N -0.412 119.571 119.914 0.116 0.000 2.487 455 V HA 0.442 4.562 4.120 -0.000 0.000 0.298 455 V C -1.396 174.766 176.094 0.113 0.000 1.028 455 V CA -0.560 61.796 62.300 0.094 0.000 0.860 455 V CB 1.314 33.165 31.823 0.046 0.000 0.991 455 V HN 0.826 nan 8.190 nan 0.000 0.427 456 D N 5.381 125.858 120.400 0.128 0.000 2.427 456 D HA 0.554 5.193 4.640 -0.000 0.000 0.226 456 D C 0.608 176.965 176.300 0.095 0.000 1.076 456 D CA 0.136 54.214 54.000 0.130 0.000 0.849 456 D CB 1.782 42.697 40.800 0.191 0.000 1.052 456 D HN 0.775 nan 8.370 nan 0.000 0.515 457 A N 2.828 125.697 122.820 0.083 0.000 2.251 457 A HA 0.076 4.396 4.320 -0.000 0.000 0.209 457 A C 1.321 178.957 177.584 0.087 0.000 1.187 457 A CA 0.714 52.795 52.037 0.074 0.000 0.823 457 A CB -0.175 18.862 19.000 0.063 0.000 0.846 457 A HN 0.536 nan 8.150 nan 0.000 0.486 458 T N -5.288 109.332 114.554 0.109 0.000 3.200 458 T HA 0.230 4.580 4.350 -0.000 0.000 0.284 458 T C 0.918 175.708 174.700 0.150 0.000 1.009 458 T CA 0.306 62.471 62.100 0.109 0.000 0.907 458 T CB -0.362 68.560 68.868 0.090 0.000 1.120 458 T HN 0.465 nan 8.240 nan 0.000 0.534 459 H N 1.255 120.356 119.070 0.052 0.000 2.361 459 H HA 0.477 5.033 4.556 -0.001 0.000 0.308 459 H C 0.521 175.932 175.328 0.138 0.000 1.053 459 H CA 0.097 56.162 56.048 0.028 0.000 1.377 459 H CB -0.019 29.688 29.762 -0.091 0.000 1.434 459 H HN 0.347 nan 8.280 nan 0.000 0.548 460 I N 1.195 121.865 120.570 0.166 0.000 2.710 460 I HA 0.063 4.233 4.170 -0.000 0.000 0.286 460 I C 1.217 177.412 176.117 0.129 0.000 1.181 460 I CA 0.847 62.245 61.300 0.163 0.000 1.430 460 I CB 0.718 38.805 38.000 0.146 0.000 1.367 460 I HN 0.702 nan 8.210 nan 0.000 0.577 461 G N 4.824 113.709 108.800 0.142 0.000 2.323 461 G HA2 -0.328 3.631 3.960 -0.000 0.000 0.292 461 G HA3 -0.328 3.631 3.960 -0.000 0.000 0.292 461 G C 0.771 175.711 174.900 0.067 0.000 1.040 461 G CA 0.738 45.886 45.100 0.081 0.000 0.942 461 G HN 0.909 nan 8.290 nan 0.000 0.506 462 K N -1.131 119.330 120.400 0.102 0.000 2.400 462 K HA 0.530 4.850 4.320 -0.000 0.000 0.194 462 K C 0.832 177.453 176.600 0.035 0.000 1.033 462 K CA 0.223 56.555 56.287 0.074 0.000 1.021 462 K CB 0.930 33.492 32.500 0.102 0.000 0.808 462 K HN 0.438 nan 8.250 nan 0.000 0.505 463 L N 1.565 122.811 121.223 0.039 0.000 2.543 463 L HA 0.477 4.817 4.340 -0.000 0.000 0.265 463 L C -1.860 175.028 176.870 0.030 0.000 0.945 463 L CA -0.757 54.098 54.840 0.025 0.000 0.869 463 L CB 1.973 44.035 42.059 0.005 0.000 1.294 463 L HN 0.101 nan 8.230 nan 0.000 0.405 464 I N 4.736 125.268 120.570 -0.063 0.000 2.498 464 I HA 0.625 4.795 4.170 -0.000 0.000 0.290 464 I C -0.641 175.360 176.117 -0.195 0.000 1.032 464 I CA -0.686 60.501 61.300 -0.189 0.000 1.073 464 I CB 2.272 40.104 38.000 -0.281 0.000 1.251 464 I HN 0.212 nan 8.210 nan 0.000 0.426 465 V N 4.045 123.796 119.914 -0.272 0.000 3.130 465 V HA 0.752 4.872 4.120 -0.000 0.000 0.310 465 V C -0.592 175.279 176.094 -0.372 0.000 1.158 465 V CA -0.248 61.847 62.300 -0.342 0.000 1.029 465 V CB 2.819 34.405 31.823 -0.396 0.000 1.057 465 V HN 0.828 nan 8.190 nan 0.000 0.436 466 T N 1.638 115.966 114.554 -0.377 0.000 2.802 466 T HA 0.330 4.679 4.350 -0.000 0.000 0.311 466 T C -1.167 173.509 174.700 -0.040 0.000 1.405 466 T CA -0.625 61.375 62.100 -0.166 0.000 1.016 466 T CB 1.614 70.381 68.868 -0.169 0.000 1.352 466 T HN 0.804 nan 8.240 nan 0.000 0.498 467 K N 2.340 122.900 120.400 0.266 0.000 2.489 467 K HA 0.118 4.437 4.320 -0.000 0.000 0.278 467 K C 0.669 177.352 176.600 0.138 0.000 1.000 467 K CA -0.086 56.387 56.287 0.310 0.000 1.012 467 K CB 0.354 33.013 32.500 0.265 0.000 0.903 467 K HN 0.671 nan 8.250 nan 0.000 0.485 468 Q N 3.065 122.928 119.800 0.105 0.000 2.421 468 Q HA 0.108 4.448 4.340 -0.000 0.000 0.255 468 Q C -0.217 175.791 176.000 0.014 0.000 1.013 468 Q CA -0.246 55.584 55.803 0.045 0.000 0.895 468 Q CB 0.482 29.238 28.738 0.029 0.000 1.271 468 Q HN 0.481 nan 8.270 nan 0.000 0.460 469 I N 1.902 122.451 120.570 -0.035 0.000 2.587 469 I HA 0.079 4.248 4.170 -0.000 0.000 0.284 469 I C 1.152 177.236 176.117 -0.055 0.000 1.134 469 I CA 1.383 62.620 61.300 -0.105 0.000 1.410 469 I CB 0.014 37.928 38.000 -0.143 0.000 1.392 469 I HN 1.074 nan 8.210 nan 0.000 0.545 470 G N 3.974 112.744 108.800 -0.050 0.000 2.143 470 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.248 470 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.248 470 G C 0.214 175.123 174.900 0.014 0.000 0.991 470 G CA -0.053 45.037 45.100 -0.017 0.000 0.689 470 G HN 1.166 nan 8.290 nan 0.000 0.522 471 G N -1.715 107.098 108.800 0.022 0.000 2.606 471 G HA2 0.540 4.500 3.960 -0.000 0.000 0.300 471 G HA3 0.540 4.500 3.960 -0.000 0.000 0.300 471 G C -0.610 174.322 174.900 0.052 0.000 1.360 471 G CA 0.287 45.411 45.100 0.042 0.000 0.783 471 G HN -0.017 nan 8.290 nan 0.000 0.484 472 D N -0.192 120.241 120.400 0.056 0.000 2.342 472 D HA 0.255 4.895 4.640 -0.000 0.000 0.221 472 D C 1.356 177.729 176.300 0.122 0.000 1.101 472 D CA 0.379 54.413 54.000 0.057 0.000 0.837 472 D CB 0.495 41.303 40.800 0.014 0.000 0.938 472 D HN 0.530 nan 8.370 nan 0.000 0.508 473 G N 0.683 109.557 108.800 0.123 0.000 2.562 473 G HA2 0.461 4.420 3.960 -0.000 0.000 0.275 473 G HA3 0.461 4.420 3.960 -0.000 0.000 0.275 473 G C 0.237 175.254 174.900 0.196 0.000 1.196 473 G CA -0.685 44.496 45.100 0.135 0.000 0.908 473 G HN 0.136 nan 8.290 nan 0.000 0.524 474 M N 0.181 119.819 119.600 0.062 0.000 2.209 474 M HA 0.609 5.088 4.480 -0.000 0.000 0.355 474 M C -0.282 175.892 176.300 -0.210 0.000 1.171 474 M CA -0.463 54.670 55.300 -0.279 0.000 1.069 474 M CB 1.620 33.775 32.600 -0.742 0.000 1.622 474 M HN 0.359 nan 8.290 nan 0.000 0.459 475 M N 3.532 123.005 119.600 -0.212 0.000 2.144 475 M HA 0.229 4.708 4.480 -0.000 0.000 0.356 475 M C -0.764 175.424 176.300 -0.187 0.000 1.217 475 M CA -0.273 54.941 55.300 -0.143 0.000 1.087 475 M CB 0.875 33.433 32.600 -0.070 0.000 1.609 475 M HN 0.809 nan 8.290 nan 0.000 0.467 476 D N 5.376 125.694 120.400 -0.137 0.000 2.317 476 D HA 0.199 4.839 4.640 -0.000 0.000 0.252 476 D C 0.142 176.396 176.300 -0.077 0.000 1.174 476 D CA -0.110 53.817 54.000 -0.121 0.000 0.866 476 D CB 0.487 41.230 40.800 -0.094 0.000 1.127 476 D HN 0.663 nan 8.370 nan 0.000 0.467 477 I N 0.312 120.838 120.570 -0.074 0.000 3.966 477 I HA 0.170 4.340 4.170 -0.000 0.000 0.324 477 I C 1.062 177.200 176.117 0.036 0.000 1.517 477 I CA -0.586 60.703 61.300 -0.019 0.000 1.117 477 I CB 0.389 38.370 38.000 -0.032 0.000 1.190 477 I HN 0.043 nan 8.210 nan 0.000 0.466 478 T N 1.553 116.108 114.554 0.002 0.000 2.737 478 T HA -0.204 4.145 4.350 -0.000 0.000 0.269 478 T C 1.611 176.344 174.700 0.054 0.000 1.040 478 T CA 2.232 64.346 62.100 0.023 0.000 1.142 478 T CB -0.454 68.412 68.868 -0.004 0.000 0.861 478 T HN 0.693 nan 8.240 nan 0.000 0.456 479 D N 1.841 122.253 120.400 0.020 0.000 2.310 479 D HA -0.122 4.518 4.640 -0.000 0.000 0.212 479 D C 2.000 178.268 176.300 -0.053 0.000 0.965 479 D CA 1.543 55.530 54.000 -0.022 0.000 0.879 479 D CB -0.678 40.112 40.800 -0.017 0.000 0.921 479 D HN 0.568 nan 8.370 nan 0.000 0.510 480 T N -3.015 111.555 114.554 0.026 0.000 3.043 480 T HA -0.065 4.285 4.350 -0.000 0.000 0.263 480 T C 1.704 176.342 174.700 -0.104 0.000 1.094 480 T CA 0.374 62.463 62.100 -0.020 0.000 1.127 480 T CB -0.566 68.323 68.868 0.036 0.000 0.905 480 T HN 0.125 nan 8.240 nan 0.000 0.490 481 Y N 2.310 122.580 120.300 -0.050 0.000 2.509 481 Y HA 0.364 4.914 4.550 -0.001 0.000 0.270 481 Y C 0.796 176.636 175.900 -0.099 0.000 1.103 481 Y CA -0.116 57.969 58.100 -0.025 0.000 1.278 481 Y CB 0.532 39.010 38.460 0.030 0.000 1.087 481 Y HN 0.271 nan 8.280 nan 0.000 0.542 482 K N -0.954 119.425 120.400 -0.034 0.000 2.557 482 K HA 0.274 4.594 4.320 -0.000 0.000 0.257 482 K C -1.437 175.068 176.600 -0.157 0.000 0.933 482 K CA -0.757 55.487 56.287 -0.072 0.000 0.820 482 K CB 1.108 33.616 32.500 0.012 0.000 1.330 482 K HN -0.232 nan 8.250 nan 0.000 0.432 483 F N 1.679 121.628 119.950 -0.001 0.000 2.485 483 F HA 0.068 4.594 4.527 -0.001 0.000 0.327 483 F C 1.532 177.342 175.800 0.016 0.000 1.203 483 F CA 0.242 58.241 58.000 -0.002 0.000 1.295 483 F CB 0.505 39.496 39.000 -0.016 0.000 1.191 483 F HN 0.518 nan 8.300 nan 0.000 0.588 484 Q N 1.810 121.740 119.800 0.217 0.000 2.873 484 Q HA -0.180 4.160 4.340 -0.000 0.000 0.385 484 Q C 0.135 176.209 176.000 0.123 0.000 1.117 484 Q CA 0.398 56.285 55.803 0.139 0.000 1.167 484 Q CB 0.275 29.085 28.738 0.120 0.000 1.105 484 Q HN 0.467 nan 8.270 nan 0.000 0.444 485 E N 1.557 121.810 120.200 0.088 0.000 2.384 485 E HA 0.062 4.411 4.350 -0.000 0.000 0.266 485 E C 0.152 176.792 176.600 0.068 0.000 1.012 485 E CA 1.023 57.469 56.400 0.077 0.000 0.901 485 E CB 0.394 30.133 29.700 0.064 0.000 0.967 485 E HN 0.887 nan 8.360 nan 0.000 0.435 486 G N 3.810 112.647 108.800 0.063 0.000 2.324 486 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.292 486 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.292 486 G C -0.190 174.735 174.900 0.042 0.000 1.079 486 G CA 0.225 45.355 45.100 0.049 0.000 1.026 486 G HN 0.389 nan 8.290 nan 0.000 0.506 487 Q N -1.479 118.344 119.800 0.039 0.000 2.482 487 Q HA 0.365 4.705 4.340 -0.000 0.000 0.286 487 Q C 0.887 176.879 176.000 -0.013 0.000 1.007 487 Q CA -0.384 55.429 55.803 0.018 0.000 0.801 487 Q CB 1.232 29.987 28.738 0.029 0.000 1.455 487 Q HN 0.290 nan 8.270 nan 0.000 0.398 488 E N 1.665 121.843 120.200 -0.037 0.000 2.108 488 E HA -0.270 4.080 4.350 -0.000 0.000 0.203 488 E C 0.821 177.341 176.600 -0.134 0.000 1.022 488 E CA 2.836 59.199 56.400 -0.063 0.000 0.823 488 E CB 0.254 29.920 29.700 -0.057 0.000 0.744 488 E HN 0.653 nan 8.360 nan 0.000 0.456 489 E N 0.469 120.502 120.200 -0.279 0.000 2.038 489 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 489 E C 2.203 178.548 176.600 -0.425 0.000 1.000 489 E CA 1.377 57.388 56.400 -0.648 0.000 0.803 489 E CB -0.356 28.459 29.700 -1.475 0.000 0.750 489 E HN 0.468 nan 8.360 nan 0.000 0.448 490 E N 1.213 121.349 120.200 -0.107 0.000 2.097 490 E HA -0.295 4.055 4.350 -0.000 0.000 0.196 490 E C 2.279 178.938 176.600 0.098 0.000 1.000 490 E CA 1.097 57.573 56.400 0.128 0.000 0.804 490 E CB 0.009 29.805 29.700 0.160 0.000 0.740 490 E HN 0.093 nan 8.360 nan 0.000 0.454 491 R N 0.410 120.934 120.500 0.041 0.000 2.075 491 R HA -0.090 4.249 4.340 -0.000 0.000 0.232 491 R C 2.672 179.001 176.300 0.049 0.000 1.126 491 R CA 0.914 57.042 56.100 0.047 0.000 0.963 491 R CB -0.356 29.957 30.300 0.022 0.000 0.858 491 R HN 0.328 nan 8.270 nan 0.000 0.435 492 L N 0.336 121.570 121.223 0.018 0.000 2.042 492 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 492 L C 2.353 179.288 176.870 0.108 0.000 1.076 492 L CA 1.723 56.590 54.840 0.045 0.000 0.749 492 L CB -0.486 41.585 42.059 0.020 0.000 0.893 492 L HN 0.275 nan 8.230 nan 0.000 0.432 493 A N -0.527 122.382 122.820 0.147 0.000 1.969 493 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 493 A C 2.186 179.922 177.584 0.254 0.000 1.169 493 A CA 1.273 53.464 52.037 0.258 0.000 0.635 493 A CB -0.580 18.634 19.000 0.357 0.000 0.810 493 A HN 0.495 nan 8.150 nan 0.000 0.445 494 L N -0.276 121.089 121.223 0.237 0.000 2.072 494 L HA -0.133 4.207 4.340 -0.000 0.000 0.205 494 L C 2.394 179.309 176.870 0.075 0.000 1.079 494 L CA 2.480 57.455 54.840 0.225 0.000 0.752 494 L CB -0.640 41.544 42.059 0.208 0.000 0.906 494 L HN 0.707 nan 8.230 nan 0.000 0.436 495 E N -0.468 119.764 120.200 0.053 0.000 2.031 495 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 495 E C 1.821 178.391 176.600 -0.051 0.000 0.994 495 E CA 2.151 58.548 56.400 -0.004 0.000 0.800 495 E CB -0.005 29.698 29.700 0.004 0.000 0.752 495 E HN 0.441 nan 8.360 nan 0.000 0.447 496 T N 0.995 115.553 114.554 0.006 0.000 2.665 496 T HA -0.194 4.155 4.350 -0.000 0.000 0.268 496 T C 1.916 176.559 174.700 -0.095 0.000 1.035 496 T CA 1.642 63.740 62.100 -0.003 0.000 1.151 496 T CB -0.458 68.529 68.868 0.198 0.000 0.862 496 T HN 0.396 nan 8.240 nan 0.000 0.438 497 A N 1.258 123.988 122.820 -0.150 0.000 1.908 497 A HA -0.045 4.275 4.320 -0.000 0.000 0.218 497 A C 2.124 179.534 177.584 -0.290 0.000 1.181 497 A CA 1.231 53.044 52.037 -0.374 0.000 0.627 497 A CB -0.745 17.675 19.000 -0.965 0.000 0.818 497 A HN 0.356 nan 8.150 nan 0.000 0.445 498 L N -0.168 120.930 121.223 -0.209 0.000 2.362 498 L HA -0.040 4.300 4.340 -0.000 0.000 0.219 498 L C 2.451 179.191 176.870 -0.218 0.000 1.134 498 L CA 1.813 56.552 54.840 -0.168 0.000 0.807 498 L CB -0.699 41.299 42.059 -0.103 0.000 0.927 498 L HN 0.733 nan 8.230 nan 0.000 0.447 499 M N -4.242 115.154 119.600 -0.340 0.000 2.495 499 M HA 0.076 4.556 4.480 -0.000 0.000 0.237 499 M C -0.041 175.885 176.300 -0.622 0.000 1.131 499 M CA 0.864 55.861 55.300 -0.505 0.000 1.032 499 M CB 0.108 32.324 32.600 -0.641 0.000 1.513 499 M HN 0.015 nan 8.290 nan 0.000 0.488 500 Y N 0.604 120.792 120.300 -0.187 0.000 2.666 500 Y HA 0.565 5.114 4.550 -0.001 0.000 0.264 500 Y C 1.101 176.868 175.900 -0.221 0.000 1.054 500 Y CA -0.321 57.651 58.100 -0.214 0.000 1.121 500 Y CB 0.686 38.985 38.460 -0.267 0.000 1.190 500 Y HN 0.457 nan 8.280 nan 0.000 0.587 501 G N -0.333 108.411 108.800 -0.094 0.000 2.380 501 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.197 501 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.197 501 G C 0.411 175.184 174.900 -0.210 0.000 1.001 501 G CA -0.351 44.660 45.100 -0.149 0.000 0.668 501 G HN 0.582 nan 8.290 nan 0.000 0.483 502 A N 0.629 123.315 122.820 -0.224 0.000 2.388 502 A HA 0.701 5.021 4.320 -0.000 0.000 0.257 502 A C 0.296 177.810 177.584 -0.117 0.000 1.095 502 A CA 0.551 52.477 52.037 -0.185 0.000 0.791 502 A CB 0.434 19.299 19.000 -0.225 0.000 1.029 502 A HN 0.406 nan 8.150 nan 0.000 0.489 503 K N 0.751 121.107 120.400 -0.074 0.000 2.385 503 K HA 0.561 4.881 4.320 -0.000 0.000 0.248 503 K C -1.079 175.511 176.600 -0.016 0.000 0.955 503 K CA -0.656 55.601 56.287 -0.049 0.000 0.816 503 K CB 2.428 34.899 32.500 -0.049 0.000 1.250 503 K HN 0.594 nan 8.250 nan 0.000 0.434 504 K N 2.388 122.781 120.400 -0.013 0.000 2.756 504 K HA 0.204 4.523 4.320 -0.000 0.000 0.218 504 K C -2.174 174.426 176.600 -0.001 0.000 1.057 504 K CA -1.527 54.760 56.287 0.001 0.000 1.056 504 K CB 1.142 33.647 32.500 0.008 0.000 1.235 504 K HN 0.248 nan 8.250 nan 0.000 0.547 505 P HA -0.122 nan 4.420 nan 0.000 0.216 505 P C -0.138 177.170 177.300 0.014 0.000 1.153 505 P CA 0.788 63.893 63.100 0.008 0.000 0.848 505 P CB 0.289 31.998 31.700 0.016 0.000 0.787 506 L N 0.333 121.565 121.223 0.015 0.000 2.292 506 L HA 0.273 4.613 4.340 -0.000 0.000 0.284 506 L C 0.619 177.497 176.870 0.013 0.000 1.065 506 L CA -1.024 53.827 54.840 0.019 0.000 0.806 506 L CB 0.359 42.431 42.059 0.021 0.000 1.175 506 L HN -0.086 nan 8.230 nan 0.000 0.431 507 N N 1.640 120.349 118.700 0.014 0.000 2.513 507 N HA 0.164 4.903 4.740 -0.000 0.000 0.268 507 N C -0.069 175.450 175.510 0.015 0.000 1.180 507 N CA -0.296 52.761 53.050 0.012 0.000 0.948 507 N CB 1.048 39.541 38.487 0.010 0.000 1.083 507 N HN 0.689 nan 8.380 nan 0.000 0.455 516 S N 0.125 115.779 115.700 -0.077 0.000 2.602 516 S HA 0.195 4.664 4.470 -0.000 0.000 0.240 516 S C 0.076 174.642 174.600 -0.056 0.000 0.992 516 S CA 0.516 58.663 58.200 -0.088 0.000 0.971 516 S CB -0.099 62.931 63.200 -0.283 0.000 0.855 516 S HN 1.110 nan 8.310 nan 0.000 0.481 517 N N 0.063 118.741 118.700 -0.037 0.000 2.776 517 N HA -0.109 4.630 4.740 -0.000 0.000 0.249 517 N C -0.860 174.634 175.510 -0.027 0.000 1.111 517 N CA 0.730 53.772 53.050 -0.014 0.000 0.711 517 N CB -1.815 36.684 38.487 0.020 0.000 1.065 517 N HN 0.453 nan 8.380 nan 0.000 0.556 518 V N 0.360 120.233 119.914 -0.069 0.000 2.435 518 V HA 0.365 4.485 4.120 -0.000 0.000 0.290 518 V C 0.359 176.430 176.094 -0.038 0.000 1.030 518 V CA -0.652 61.618 62.300 -0.051 0.000 0.881 518 V CB 2.472 34.249 31.823 -0.077 0.000 0.983 518 V HN 0.025 nan 8.190 nan 0.000 0.445 519 D N 3.886 124.264 120.400 -0.037 0.000 2.228 519 D HA 0.554 5.194 4.640 -0.000 0.000 0.247 519 D C -0.819 175.461 176.300 -0.033 0.000 0.995 519 D CA -0.363 53.614 54.000 -0.039 0.000 0.903 519 D CB 1.998 42.760 40.800 -0.064 0.000 1.205 519 D HN 0.351 nan 8.370 nan 0.000 0.459 520 M N 2.618 122.182 119.600 -0.061 0.000 2.371 520 M HA 0.333 4.813 4.480 -0.000 0.000 0.287 520 M C -2.155 174.096 176.300 -0.081 0.000 1.149 520 M CA -0.410 54.795 55.300 -0.158 0.000 0.929 520 M CB 2.087 34.509 32.600 -0.296 0.000 1.683 520 M HN 0.378 nan 8.290 nan 0.000 0.470 521 D N 3.043 123.402 120.400 -0.068 0.000 2.626 521 D HA 0.791 5.431 4.640 -0.000 0.000 0.278 521 D C -1.766 174.618 176.300 0.141 0.000 1.211 521 D CA 0.175 54.199 54.000 0.041 0.000 0.903 521 D CB 1.848 42.657 40.800 0.015 0.000 1.408 521 D HN 0.468 nan 8.370 nan 0.000 0.454 522 F N -1.022 118.885 119.950 -0.071 0.000 2.662 522 F HA 0.749 5.275 4.527 -0.001 0.000 0.312 522 F C -1.235 174.541 175.800 -0.039 0.000 1.113 522 F CA -0.792 57.170 58.000 -0.064 0.000 0.951 522 F CB 1.375 40.328 39.000 -0.078 0.000 1.344 522 F HN 0.158 nan 8.300 nan 0.000 0.462 523 E N 1.009 121.198 120.200 -0.017 0.000 2.293 523 E HA 0.662 5.012 4.350 -0.000 0.000 0.270 523 E C -1.802 174.791 176.600 -0.013 0.000 0.879 523 E CA -1.198 55.141 56.400 -0.102 0.000 0.756 523 E CB 3.127 32.801 29.700 -0.044 0.000 1.208 523 E HN 0.567 nan 8.360 nan 0.000 0.428 524 V N 2.531 122.398 119.914 -0.078 0.000 2.444 524 V HA 0.177 4.297 4.120 -0.000 0.000 0.294 524 V C -0.024 176.053 176.094 -0.027 0.000 1.022 524 V CA -0.860 61.408 62.300 -0.054 0.000 0.850 524 V CB 1.453 33.158 31.823 -0.197 0.000 0.992 524 V HN 0.707 nan 8.190 nan 0.000 0.426 525 E N 4.643 124.879 120.200 0.060 0.000 2.414 525 E HA 0.043 4.393 4.350 -0.000 0.000 0.263 525 E C -0.243 176.320 176.600 -0.061 0.000 1.000 525 E CA -0.316 56.110 56.400 0.043 0.000 0.914 525 E CB 0.561 30.337 29.700 0.127 0.000 0.948 525 E HN 0.672 nan 8.360 nan 0.000 0.444 526 N N 1.690 120.341 118.700 -0.082 0.000 2.524 526 N HA 0.447 5.186 4.740 -0.000 0.000 0.283 526 N C -1.009 174.440 175.510 -0.102 0.000 1.142 526 N CA -0.064 52.903 53.050 -0.138 0.000 0.984 526 N CB 1.688 40.113 38.487 -0.103 0.000 1.155 526 N HN 0.578 nan 8.380 nan 0.000 0.467 527 A N 0.786 123.522 122.820 -0.140 0.000 2.556 527 A HA 0.557 4.877 4.320 -0.000 0.000 0.294 527 A C -0.739 176.829 177.584 -0.028 0.000 1.091 527 A CA -0.625 51.387 52.037 -0.041 0.000 0.704 527 A CB 1.059 20.053 19.000 -0.010 0.000 1.300 527 A HN 0.354 nan 8.150 nan 0.000 0.406 528 V N 1.537 121.472 119.914 0.036 0.000 2.607 528 V HA 0.251 4.371 4.120 -0.000 0.000 0.289 528 V C 0.304 176.452 176.094 0.089 0.000 1.053 528 V CA -0.345 61.983 62.300 0.046 0.000 0.996 528 V CB 1.287 33.141 31.823 0.051 0.000 0.995 528 V HN 0.892 nan 8.190 nan 0.000 0.476 529 L N 5.498 126.770 121.223 0.083 0.000 2.628 529 L HA 0.410 4.750 4.340 -0.000 0.000 0.274 529 L C 1.086 178.063 176.870 0.178 0.000 1.209 529 L CA 1.956 56.880 54.840 0.139 0.000 0.930 529 L CB -0.145 41.980 42.059 0.109 0.000 1.183 529 L HN 0.985 nan 8.230 nan 0.000 0.492 530 G N 2.536 111.507 108.800 0.286 0.000 2.201 530 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.212 530 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.212 530 G C 0.233 175.235 174.900 0.169 0.000 0.994 530 G CA -0.009 45.191 45.100 0.168 0.000 0.644 530 G HN 0.589 nan 8.290 nan 0.000 0.508 531 K N 1.175 121.734 120.400 0.264 0.000 2.118 531 K HA 0.552 4.871 4.320 -0.000 0.000 0.254 531 K C -0.419 176.390 176.600 0.349 0.000 0.961 531 K CA -0.796 55.628 56.287 0.227 0.000 0.876 531 K CB 1.158 33.767 32.500 0.181 0.000 1.077 531 K HN 0.118 nan 8.250 nan 0.000 0.440 532 D N 1.163 121.706 120.400 0.238 0.000 2.360 532 D HA 0.369 5.008 4.640 -0.000 0.000 0.242 532 D C 0.009 176.499 176.300 0.317 0.000 1.184 532 D CA 0.251 54.378 54.000 0.212 0.000 0.930 532 D CB 0.238 41.086 40.800 0.080 0.000 1.161 532 D HN 0.336 nan 8.370 nan 0.000 0.447 533 F N -2.567 117.470 119.950 0.145 0.000 2.693 533 F HA 0.537 5.063 4.527 -0.001 0.000 0.309 533 F C -0.959 174.884 175.800 0.072 0.000 1.129 533 F CA -1.215 56.841 58.000 0.094 0.000 0.948 533 F CB 1.270 40.322 39.000 0.087 0.000 1.315 533 F HN -0.155 nan 8.300 nan 0.000 0.447 534 K N 1.889 122.413 120.400 0.207 0.000 2.221 534 K HA 0.716 5.035 4.320 -0.000 0.000 0.243 534 K C -1.682 175.001 176.600 0.138 0.000 0.968 534 K CA -0.923 55.404 56.287 0.068 0.000 0.846 534 K CB 2.860 35.387 32.500 0.046 0.000 1.141 534 K HN 0.883 nan 8.250 nan 0.000 0.434 535 L N 0.192 121.439 121.223 0.040 0.000 2.365 535 L HA 0.426 4.765 4.340 -0.000 0.000 0.273 535 L C -0.955 175.940 176.870 0.040 0.000 1.000 535 L CA -0.256 54.607 54.840 0.039 0.000 0.819 535 L CB 2.005 44.039 42.059 -0.042 0.000 1.284 535 L HN 0.591 nan 8.230 nan 0.000 0.418 536 S N 5.133 120.884 115.700 0.084 0.000 2.594 536 S HA 0.648 5.118 4.470 -0.000 0.000 0.296 536 S C -0.875 173.800 174.600 0.124 0.000 1.124 536 S CA -0.599 57.644 58.200 0.071 0.000 1.011 536 S CB 0.891 64.119 63.200 0.047 0.000 1.016 536 S HN 0.517 nan 8.310 nan 0.000 0.485 537 I N 3.911 124.540 120.570 0.099 0.000 2.354 537 I HA 0.402 4.572 4.170 -0.000 0.000 0.292 537 I C 0.363 176.504 176.117 0.040 0.000 0.989 537 I CA -0.492 60.849 61.300 0.068 0.000 1.188 537 I CB 1.994 40.007 38.000 0.020 0.000 1.342 537 I HN 0.599 nan 8.210 nan 0.000 0.457 538 T N 5.398 119.937 114.554 -0.024 0.000 2.863 538 T HA 0.645 4.994 4.350 -0.000 0.000 0.285 538 T C -1.034 173.608 174.700 -0.097 0.000 1.009 538 T CA -0.365 61.779 62.100 0.074 0.000 0.989 538 T CB 0.779 69.801 68.868 0.257 0.000 1.004 538 T HN 0.233 nan 8.240 nan 0.000 0.455 539 F N 2.940 122.958 119.950 0.114 0.000 2.482 539 F HA 0.664 5.191 4.527 -0.000 0.000 0.331 539 F C 0.235 175.928 175.800 -0.178 0.000 1.115 539 F CA -1.007 56.991 58.000 -0.003 0.000 0.955 539 F CB 1.960 40.970 39.000 0.018 0.000 1.136 539 F HN 0.422 nan 8.300 nan 0.000 0.452 540 R N 1.755 122.168 120.500 -0.145 0.000 2.337 540 R HA 0.283 4.623 4.340 -0.000 0.000 0.319 540 R C -0.863 175.304 176.300 -0.221 0.000 0.954 540 R CA -0.757 55.035 56.100 -0.514 0.000 0.840 540 R CB 0.561 30.469 30.300 -0.653 0.000 1.164 540 R HN 0.319 nan 8.270 nan 0.000 0.472 541 N N 2.281 120.874 118.700 -0.179 0.000 2.469 541 N HA 0.100 4.840 4.740 -0.000 0.000 0.239 541 N C -0.386 175.065 175.510 -0.098 0.000 1.053 541 N CA -0.054 52.963 53.050 -0.054 0.000 0.937 541 N CB 0.617 39.113 38.487 0.015 0.000 1.163 541 N HN 0.401 nan 8.380 nan 0.000 0.509 542 N N 0.353 119.000 118.700 -0.089 0.000 2.422 542 N HA -0.059 4.680 4.740 -0.000 0.000 0.181 542 N C 0.650 176.075 175.510 -0.142 0.000 1.080 542 N CA 0.111 53.097 53.050 -0.107 0.000 0.893 542 N CB 0.170 38.611 38.487 -0.076 0.000 0.973 542 N HN 0.621 nan 8.380 nan 0.000 0.456 543 S N -0.426 115.229 115.700 -0.075 0.000 2.632 543 S HA 0.144 4.614 4.470 -0.000 0.000 0.267 543 S C 0.821 175.275 174.600 -0.244 0.000 1.193 543 S CA -0.145 57.992 58.200 -0.104 0.000 1.003 543 S CB 0.743 64.008 63.200 0.108 0.000 1.073 543 S HN 0.210 nan 8.310 nan 0.000 0.553 544 H N -0.137 118.929 119.070 -0.007 0.000 2.652 544 H HA 0.375 4.930 4.556 -0.000 0.000 0.274 544 H C -0.281 174.982 175.328 -0.108 0.000 1.021 544 H CA -0.275 55.749 56.048 -0.041 0.000 1.187 544 H CB -0.069 29.678 29.762 -0.025 0.000 1.505 544 H HN 0.477 nan 8.280 nan 0.000 0.530 545 N N 1.635 120.271 118.700 -0.106 0.000 2.524 545 N HA 0.077 4.817 4.740 -0.000 0.000 0.283 545 N C 0.439 175.619 175.510 -0.551 0.000 1.142 545 N CA -0.207 52.614 53.050 -0.381 0.000 0.984 545 N CB 1.828 39.910 38.487 -0.675 0.000 1.155 545 N HN 0.121 nan 8.380 nan 0.000 0.467 546 R N 1.867 122.071 120.500 -0.493 0.000 2.297 546 R HA 0.265 4.605 4.340 -0.000 0.000 0.308 546 R C -1.241 174.761 176.300 -0.497 0.000 1.029 546 R CA -0.145 55.733 56.100 -0.371 0.000 0.929 546 R CB 0.271 30.462 30.300 -0.181 0.000 1.046 546 R HN 0.473 nan 8.270 nan 0.000 0.461 547 Y N 0.373 120.643 120.300 -0.051 0.000 2.524 547 Y HA 0.325 4.874 4.550 -0.000 0.000 0.344 547 Y C 0.301 176.149 175.900 -0.086 0.000 1.012 547 Y CA -0.606 57.456 58.100 -0.064 0.000 1.068 547 Y CB 2.460 40.877 38.460 -0.071 0.000 1.249 547 Y HN 0.415 nan 8.280 nan 0.000 0.468 548 T N 3.884 118.502 114.554 0.106 0.000 2.794 548 T HA 0.668 5.018 4.350 -0.000 0.000 0.280 548 T C -0.611 174.057 174.700 -0.055 0.000 0.987 548 T CA -0.406 61.692 62.100 -0.003 0.000 0.993 548 T CB 0.176 69.040 68.868 -0.007 0.000 0.939 548 T HN 0.342 nan 8.240 nan 0.000 0.449 549 I N 2.353 122.834 120.570 -0.148 0.000 2.569 549 I HA 0.379 4.549 4.170 -0.000 0.000 0.296 549 I C 0.124 176.085 176.117 -0.260 0.000 1.028 549 I CA -0.771 60.398 61.300 -0.219 0.000 1.082 549 I CB 2.401 40.197 38.000 -0.339 0.000 1.264 549 I HN 0.458 nan 8.210 nan 0.000 0.429 550 T N 4.718 119.109 114.554 -0.272 0.000 2.771 550 T HA 0.683 5.033 4.350 -0.000 0.000 0.281 550 T C -0.256 174.051 174.700 -0.656 0.000 0.982 550 T CA -0.530 61.309 62.100 -0.435 0.000 0.978 550 T CB 1.394 70.052 68.868 -0.351 0.000 0.930 550 T HN 0.649 nan 8.240 nan 0.000 0.447 551 A N 3.291 125.567 122.820 -0.907 0.000 2.350 551 A HA 0.830 5.150 4.320 -0.000 0.000 0.324 551 A C -1.517 175.447 177.584 -1.034 0.000 1.118 551 A CA -0.736 50.767 52.037 -0.890 0.000 0.783 551 A CB 0.817 19.314 19.000 -0.839 0.000 1.236 551 A HN 0.790 nan 8.150 nan 0.000 0.457 552 Y N 0.514 120.660 120.300 -0.256 0.000 2.485 552 Y HA 0.667 5.217 4.550 -0.000 0.000 0.345 552 Y C -0.215 175.633 175.900 -0.087 0.000 0.998 552 Y CA -0.945 57.069 58.100 -0.143 0.000 1.059 552 Y CB 2.095 40.496 38.460 -0.098 0.000 1.234 552 Y HN 0.631 nan 8.280 nan 0.000 0.461 553 L N 2.588 123.896 121.223 0.142 0.000 2.406 553 L HA 0.643 4.982 4.340 -0.000 0.000 0.272 553 L C -1.194 175.744 176.870 0.112 0.000 0.980 553 L CA -0.278 54.621 54.840 0.098 0.000 0.831 553 L CB 1.737 43.853 42.059 0.096 0.000 1.253 553 L HN 0.697 nan 8.230 nan 0.000 0.406 554 S N 4.051 119.836 115.700 0.141 0.000 2.561 554 S HA 0.857 5.327 4.470 -0.000 0.000 0.303 554 S C -0.718 173.939 174.600 0.096 0.000 1.110 554 S CA -0.286 57.980 58.200 0.111 0.000 1.034 554 S CB 1.614 64.901 63.200 0.145 0.000 1.010 554 S HN 0.808 nan 8.310 nan 0.000 0.482 555 A N 4.782 127.521 122.820 -0.134 0.000 2.311 555 A HA 0.741 5.060 4.320 -0.000 0.000 0.306 555 A C -0.835 176.465 177.584 -0.473 0.000 1.189 555 A CA -0.803 50.975 52.037 -0.432 0.000 0.791 555 A CB 0.607 19.228 19.000 -0.632 0.000 1.172 555 A HN 0.757 nan 8.150 nan 0.000 0.481 556 N N 1.502 120.134 118.700 -0.114 0.000 2.361 556 N HA 0.443 5.183 4.740 -0.000 0.000 0.302 556 N C -0.639 175.065 175.510 0.325 0.000 1.074 556 N CA -0.659 52.487 53.050 0.159 0.000 0.850 556 N CB 1.463 40.066 38.487 0.195 0.000 1.228 556 N HN 0.467 nan 8.380 nan 0.000 0.491 557 I N 1.810 122.612 120.570 0.387 0.000 2.436 557 I HA 0.114 4.284 4.170 -0.000 0.000 0.289 557 I C 1.134 177.359 176.117 0.179 0.000 1.083 557 I CA 0.088 61.538 61.300 0.250 0.000 1.372 557 I CB -0.703 37.425 38.000 0.214 0.000 1.408 557 I HN 0.540 nan 8.210 nan 0.000 0.516 558 T N 3.418 118.058 114.554 0.143 0.000 2.888 558 T HA 0.576 4.926 4.350 -0.000 0.000 0.288 558 T C -0.321 174.478 174.700 0.165 0.000 1.063 558 T CA -0.647 61.539 62.100 0.143 0.000 1.010 558 T CB 1.836 70.766 68.868 0.103 0.000 1.214 558 T HN 0.123 nan 8.240 nan 0.000 0.533 559 F N 1.176 121.126 119.950 0.001 0.000 2.375 559 F HA 0.372 4.900 4.527 0.000 0.000 0.313 559 F C 1.561 177.355 175.800 -0.009 0.000 1.176 559 F CA -0.893 57.114 58.000 0.012 0.000 1.142 559 F CB 0.830 39.801 39.000 -0.048 0.000 1.275 559 F HN 0.800 nan 8.300 nan 0.000 0.544 560 Y N -0.724 119.429 120.300 -0.245 0.000 2.421 560 Y HA -0.049 4.501 4.550 -0.000 0.000 0.292 560 Y C 1.926 177.714 175.900 -0.188 0.000 1.136 560 Y CA 1.105 59.116 58.100 -0.149 0.000 1.255 560 Y CB -2.024 36.319 38.460 -0.195 0.000 0.991 560 Y HN 0.480 nan 8.280 nan 0.000 0.552 561 T N -3.287 110.725 114.554 -0.903 0.000 3.113 561 T HA 0.274 4.623 4.350 -0.000 0.000 0.263 561 T C 1.800 176.132 174.700 -0.613 0.000 1.143 561 T CA 0.642 61.904 62.100 -1.398 0.000 1.090 561 T CB -0.759 67.097 68.868 -1.687 0.000 0.922 561 T HN 0.940 nan 8.240 nan 0.000 0.521 562 G N 0.497 109.156 108.800 -0.236 0.000 2.176 562 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.253 562 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.253 562 G C 0.099 174.938 174.900 -0.101 0.000 0.979 562 G CA -0.087 44.943 45.100 -0.118 0.000 0.641 562 G HN 0.692 nan 8.290 nan 0.000 0.530 563 V N 3.719 123.569 119.914 -0.106 0.000 2.479 563 V HA 0.369 4.488 4.120 -0.000 0.000 0.281 563 V C -1.025 175.078 176.094 0.015 0.000 1.031 563 V CA -0.587 61.672 62.300 -0.069 0.000 1.038 563 V CB 1.063 32.800 31.823 -0.143 0.000 0.981 563 V HN 0.305 nan 8.190 nan 0.000 0.478 564 P HA 0.290 nan 4.420 nan 0.000 0.282 564 P C -0.028 177.321 177.300 0.082 0.000 1.249 564 P CA -0.565 62.584 63.100 0.083 0.000 0.806 564 P CB 2.030 33.794 31.700 0.107 0.000 0.984 565 K N 1.507 121.973 120.400 0.109 0.000 2.225 565 K HA 0.353 4.672 4.320 -0.000 0.000 0.204 565 K C 0.195 176.857 176.600 0.105 0.000 1.047 565 K CA 0.394 56.740 56.287 0.098 0.000 0.970 565 K CB 0.450 33.020 32.500 0.117 0.000 0.939 565 K HN 0.596 nan 8.250 nan 0.000 0.472 566 A N 0.970 123.874 122.820 0.141 0.000 2.572 566 A HA 0.314 4.634 4.320 -0.000 0.000 0.295 566 A C -1.661 176.034 177.584 0.185 0.000 1.072 566 A CA -0.621 51.504 52.037 0.146 0.000 0.691 566 A CB 1.524 20.617 19.000 0.154 0.000 1.291 566 A HN 0.247 nan 8.150 nan 0.000 0.404 567 E N 1.289 121.571 120.200 0.137 0.000 2.070 567 E HA 0.335 4.685 4.350 -0.000 0.000 0.282 567 E C 0.141 176.820 176.600 0.132 0.000 1.104 567 E CA -0.323 56.133 56.400 0.094 0.000 0.876 567 E CB 0.104 29.833 29.700 0.048 0.000 1.055 567 E HN 0.581 nan 8.360 nan 0.000 0.401 568 F N 3.864 123.882 119.950 0.114 0.000 2.664 568 F HA 0.328 4.854 4.527 -0.001 0.000 0.296 568 F C 0.357 176.237 175.800 0.132 0.000 1.125 568 F CA -0.315 57.762 58.000 0.127 0.000 1.444 568 F CB 0.329 39.428 39.000 0.166 0.000 1.114 568 F HN 0.104 nan 8.300 nan 0.000 0.576 569 K N 0.955 121.141 120.400 -0.356 0.000 2.543 569 K HA 0.430 4.750 4.320 -0.000 0.000 0.255 569 K C -1.777 174.751 176.600 -0.121 0.000 0.934 569 K CA -0.849 55.326 56.287 -0.188 0.000 0.810 569 K CB 1.754 34.134 32.500 -0.200 0.000 1.315 569 K HN -0.082 nan 8.250 nan 0.000 0.433 570 K N 3.228 123.623 120.400 -0.010 0.000 2.896 570 K HA 0.209 4.529 4.320 -0.000 0.000 0.228 570 K C -1.409 175.236 176.600 0.076 0.000 1.151 570 K CA -0.198 56.109 56.287 0.034 0.000 1.035 570 K CB 0.838 33.358 32.500 0.034 0.000 1.263 570 K HN 0.573 nan 8.250 nan 0.000 0.574 571 E N 0.989 121.250 120.200 0.101 0.000 2.343 571 E HA 0.246 4.596 4.350 -0.000 0.000 0.269 571 E C -0.482 176.235 176.600 0.195 0.000 1.047 571 E CA -0.232 56.257 56.400 0.148 0.000 0.874 571 E CB 1.443 31.241 29.700 0.164 0.000 1.033 571 E HN 0.567 nan 8.360 nan 0.000 0.409 572 T N 1.313 115.981 114.554 0.190 0.000 2.912 572 T HA 0.646 4.996 4.350 -0.000 0.000 0.299 572 T C -1.152 173.603 174.700 0.092 0.000 1.052 572 T CA -0.753 61.388 62.100 0.068 0.000 0.996 572 T CB 0.530 69.449 68.868 0.085 0.000 1.070 572 T HN 0.429 nan 8.240 nan 0.000 0.465 573 F N 0.196 120.045 119.950 -0.168 0.000 2.668 573 F HA 0.810 5.337 4.527 -0.000 0.000 0.309 573 F C -1.562 174.142 175.800 -0.160 0.000 1.117 573 F CA -1.203 56.727 58.000 -0.118 0.000 0.951 573 F CB 0.780 39.742 39.000 -0.064 0.000 1.323 573 F HN 0.359 nan 8.300 nan 0.000 0.451 574 D N 1.573 122.019 120.400 0.077 0.000 2.168 574 D HA 0.625 5.265 4.640 -0.000 0.000 0.246 574 D C -0.782 175.529 176.300 0.019 0.000 1.050 574 D CA -0.174 53.800 54.000 -0.044 0.000 0.857 574 D CB 2.201 42.979 40.800 -0.037 0.000 1.169 574 D HN 0.579 nan 8.370 nan 0.000 0.453 575 V N 0.865 120.708 119.914 -0.118 0.000 2.680 575 V HA 0.599 4.719 4.120 -0.000 0.000 0.309 575 V C 0.216 176.220 176.094 -0.149 0.000 1.052 575 V CA -0.818 61.395 62.300 -0.146 0.000 0.908 575 V CB 2.069 33.659 31.823 -0.389 0.000 1.001 575 V HN 0.426 nan 8.190 nan 0.000 0.431 576 T N 5.327 119.824 114.554 -0.096 0.000 2.770 576 T HA 0.635 4.985 4.350 -0.000 0.000 0.283 576 T C -0.410 174.250 174.700 -0.066 0.000 0.988 576 T CA -0.246 61.812 62.100 -0.071 0.000 0.957 576 T CB 0.719 69.563 68.868 -0.041 0.000 0.930 576 T HN 0.453 nan 8.240 nan 0.000 0.443 577 L N 3.574 124.765 121.223 -0.052 0.000 2.282 577 L HA 0.453 4.792 4.340 -0.000 0.000 0.288 577 L C 0.615 177.475 176.870 -0.018 0.000 1.033 577 L CA -1.081 53.743 54.840 -0.026 0.000 0.807 577 L CB 0.977 43.037 42.059 0.003 0.000 1.209 577 L HN 0.435 nan 8.230 nan 0.000 0.423 578 E N 3.508 123.701 120.200 -0.012 0.000 2.390 578 E HA 0.221 4.570 4.350 -0.000 0.000 0.261 578 E C -2.259 174.326 176.600 -0.026 0.000 1.076 578 E CA -2.006 54.381 56.400 -0.021 0.000 0.905 578 E CB 0.206 29.906 29.700 -0.001 0.000 0.984 578 E HN 0.246 nan 8.360 nan 0.000 0.427 579 P HA -0.053 nan 4.420 nan 0.000 0.264 579 P C -0.064 177.218 177.300 -0.030 0.000 1.183 579 P CA 0.385 63.459 63.100 -0.043 0.000 0.763 579 P CB 0.217 31.909 31.700 -0.014 0.000 0.807 580 L N 0.364 121.544 121.223 -0.072 0.000 3.823 580 L HA -0.259 4.081 4.340 -0.000 0.000 0.525 580 L C 0.227 177.093 176.870 -0.006 0.000 1.247 580 L CA 0.594 55.394 54.840 -0.066 0.000 0.776 580 L CB -2.254 39.770 42.059 -0.058 0.000 1.443 580 L HN 0.636 nan 8.230 nan 0.000 0.831 581 S N -1.435 114.251 115.700 -0.022 0.000 2.643 581 S HA 0.829 5.299 4.470 -0.000 0.000 0.270 581 S C -0.837 173.753 174.600 -0.017 0.000 1.166 581 S CA -1.056 57.177 58.200 0.055 0.000 0.815 581 S CB 2.062 65.302 63.200 0.067 0.000 1.139 581 S HN 0.103 nan 8.310 nan 0.000 0.472 582 F N 0.885 120.870 119.950 0.059 0.000 2.470 582 F HA 0.796 5.323 4.527 -0.000 0.000 0.329 582 F C 0.381 176.237 175.800 0.094 0.000 1.072 582 F CA -0.449 57.602 58.000 0.085 0.000 0.989 582 F CB 2.041 41.082 39.000 0.068 0.000 1.193 582 F HN 0.734 nan 8.300 nan 0.000 0.481 583 K N 2.242 122.840 120.400 0.329 0.000 2.535 583 K HA 0.403 4.723 4.320 -0.000 0.000 0.250 583 K C -1.445 175.357 176.600 0.338 0.000 0.948 583 K CA -0.749 55.696 56.287 0.263 0.000 0.796 583 K CB 1.471 34.073 32.500 0.170 0.000 1.216 583 K HN 0.523 nan 8.250 nan 0.000 0.432 584 K N 2.037 122.578 120.400 0.235 0.000 2.156 584 K HA 0.347 4.667 4.320 -0.000 0.000 0.250 584 K C -0.999 175.687 176.600 0.144 0.000 0.955 584 K CA -0.926 55.479 56.287 0.197 0.000 0.855 584 K CB 1.848 34.421 32.500 0.122 0.000 1.101 584 K HN 0.456 nan 8.250 nan 0.000 0.434 585 E N 0.959 121.224 120.200 0.109 0.000 2.274 585 E HA 0.417 4.767 4.350 -0.000 0.000 0.269 585 E C -1.958 174.597 176.600 -0.074 0.000 0.891 585 E CA -0.475 55.899 56.400 -0.043 0.000 0.784 585 E CB 1.699 31.315 29.700 -0.139 0.000 1.225 585 E HN 0.657 nan 8.360 nan 0.000 0.412 586 A N 3.218 125.977 122.820 -0.102 0.000 2.324 586 A HA 0.769 5.089 4.320 -0.000 0.000 0.330 586 A C -0.989 176.529 177.584 -0.109 0.000 1.165 586 A CA -0.642 51.353 52.037 -0.070 0.000 0.813 586 A CB 1.339 20.317 19.000 -0.038 0.000 1.197 586 A HN 0.419 nan 8.150 nan 0.000 0.484 587 V N 2.941 122.805 119.914 -0.083 0.000 2.604 587 V HA 0.410 4.530 4.120 -0.000 0.000 0.305 587 V C -0.367 175.677 176.094 -0.083 0.000 1.043 587 V CA -0.597 61.650 62.300 -0.090 0.000 0.888 587 V CB 1.779 33.558 31.823 -0.074 0.000 0.995 587 V HN 0.839 nan 8.190 nan 0.000 0.429 588 L N 5.418 126.592 121.223 -0.082 0.000 2.295 588 L HA 0.582 4.922 4.340 -0.000 0.000 0.285 588 L C -0.961 175.829 176.870 -0.133 0.000 1.035 588 L CA -0.498 54.282 54.840 -0.100 0.000 0.806 588 L CB 1.245 43.266 42.059 -0.064 0.000 1.214 588 L HN 0.509 nan 8.230 nan 0.000 0.426 589 I N 4.615 125.016 120.570 -0.281 0.000 2.330 589 I HA 0.301 4.470 4.170 -0.000 0.000 0.289 589 I C -0.181 175.835 176.117 -0.168 0.000 1.001 589 I CA -0.491 60.643 61.300 -0.277 0.000 1.193 589 I CB 1.509 39.086 38.000 -0.705 0.000 1.345 589 I HN 0.630 nan 8.210 nan 0.000 0.461 590 Q N 3.293 123.079 119.800 -0.024 0.000 2.230 590 Q HA 0.469 4.809 4.340 -0.000 0.000 0.248 590 Q C 1.171 177.147 176.000 -0.039 0.000 0.915 590 Q CA -0.518 55.279 55.803 -0.010 0.000 0.900 590 Q CB 2.081 30.809 28.738 -0.016 0.000 1.229 590 Q HN 0.779 nan 8.270 nan 0.000 0.439 591 A N 2.334 125.095 122.820 -0.098 0.000 1.915 591 A HA -0.240 4.080 4.320 -0.000 0.000 0.220 591 A C 1.935 179.130 177.584 -0.649 0.000 1.198 591 A CA 2.265 54.029 52.037 -0.454 0.000 0.647 591 A CB -1.435 17.441 19.000 -0.207 0.000 0.825 591 A HN 0.988 nan 8.150 nan 0.000 0.456 592 G N -0.940 107.688 108.800 -0.287 0.000 2.501 592 G HA2 -0.162 3.797 3.960 -0.000 0.000 0.220 592 G HA3 -0.162 3.797 3.960 -0.000 0.000 0.220 592 G C 1.289 176.105 174.900 -0.140 0.000 1.114 592 G CA 0.942 45.927 45.100 -0.192 0.000 0.757 592 G HN 0.733 nan 8.290 nan 0.000 0.559 593 E N -0.869 119.273 120.200 -0.097 0.000 2.285 593 E HA -0.023 4.327 4.350 -0.000 0.000 0.194 593 E C 1.707 178.363 176.600 0.093 0.000 0.997 593 E CA 0.844 57.305 56.400 0.102 0.000 0.845 593 E CB -0.037 29.826 29.700 0.271 0.000 0.782 593 E HN 0.862 nan 8.360 nan 0.000 0.491 594 Y N -2.446 117.798 120.300 -0.093 0.000 2.430 594 Y HA 0.371 4.921 4.550 -0.000 0.000 0.254 594 Y C 0.797 176.615 175.900 -0.137 0.000 1.088 594 Y CA -0.636 57.271 58.100 -0.321 0.000 1.267 594 Y CB 0.192 38.246 38.460 -0.676 0.000 1.204 594 Y HN -0.209 nan 8.280 nan 0.000 0.515 595 M N 2.134 121.504 119.600 -0.383 0.000 2.217 595 M HA 0.309 4.788 4.480 -0.000 0.000 0.354 595 M C 1.266 177.534 176.300 -0.054 0.000 1.225 595 M CA 1.202 56.383 55.300 -0.198 0.000 1.137 595 M CB 0.388 32.797 32.600 -0.318 0.000 1.576 595 M HN 0.772 nan 8.290 nan 0.000 0.461 596 G N 3.238 112.046 108.800 0.013 0.000 2.159 596 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.256 596 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.256 596 G C 0.493 175.421 174.900 0.047 0.000 0.977 596 G CA 0.354 45.470 45.100 0.027 0.000 0.652 596 G HN 0.721 nan 8.290 nan 0.000 0.531 597 Q N -0.794 119.044 119.800 0.062 0.000 2.164 597 Q HA 0.397 4.736 4.340 -0.000 0.000 0.226 597 Q C 1.022 177.070 176.000 0.081 0.000 0.813 597 Q CA -0.326 55.522 55.803 0.075 0.000 0.978 597 Q CB 0.888 29.679 28.738 0.089 0.000 1.149 597 Q HN 0.568 nan 8.270 nan 0.000 0.489 598 L N 1.538 122.810 121.223 0.081 0.000 2.461 598 L HA 0.165 4.505 4.340 -0.000 0.000 0.272 598 L C 0.073 176.987 176.870 0.074 0.000 1.197 598 L CA 0.000 54.881 54.840 0.068 0.000 0.836 598 L CB 0.289 42.387 42.059 0.064 0.000 1.105 598 L HN 0.045 nan 8.230 nan 0.000 0.477 599 L N 1.279 122.543 121.223 0.069 0.000 2.387 599 L HA 0.292 4.632 4.340 -0.000 0.000 0.266 599 L C 0.501 177.372 176.870 0.002 0.000 1.059 599 L CA -0.840 54.048 54.840 0.081 0.000 0.801 599 L CB 0.969 43.124 42.059 0.159 0.000 1.223 599 L HN 0.644 nan 8.230 nan 0.000 0.456 600 E N 1.276 121.478 120.200 0.004 0.000 2.534 600 E HA -0.120 4.229 4.350 -0.000 0.000 0.264 600 E C -0.410 176.055 176.600 -0.225 0.000 0.981 600 E CA 0.040 56.408 56.400 -0.052 0.000 0.948 600 E CB 0.262 29.985 29.700 0.037 0.000 0.934 600 E HN 0.660 nan 8.360 nan 0.000 0.459 601 Q N 0.823 120.473 119.800 -0.249 0.000 2.360 601 Q HA -0.300 4.039 4.340 -0.000 0.000 0.192 601 Q C 0.369 176.299 176.000 -0.117 0.000 0.615 601 Q CA 0.609 56.223 55.803 -0.315 0.000 1.355 601 Q CB -2.112 26.340 28.738 -0.477 0.000 1.324 601 Q HN 1.293 nan 8.270 nan 0.000 0.885 602 A N 0.235 123.009 122.820 -0.077 0.000 2.462 602 A HA -0.224 4.096 4.320 -0.000 0.000 0.294 602 A C 0.246 177.796 177.584 -0.057 0.000 1.461 602 A CA 1.303 53.309 52.037 -0.052 0.000 0.765 602 A CB -1.301 17.679 19.000 -0.034 0.000 1.071 602 A HN 0.469 nan 8.150 nan 0.000 0.401 603 S N -0.181 115.503 115.700 -0.028 0.000 2.562 603 S HA 0.699 5.169 4.470 -0.000 0.000 0.275 603 S C -0.089 174.524 174.600 0.022 0.000 1.281 603 S CA -0.538 57.675 58.200 0.021 0.000 1.045 603 S CB 1.210 64.454 63.200 0.073 0.000 0.962 603 S HN 0.506 nan 8.310 nan 0.000 0.503 604 L N 2.411 123.650 121.223 0.027 0.000 2.354 604 L HA 0.580 4.920 4.340 -0.000 0.000 0.269 604 L C -0.464 176.376 176.870 -0.050 0.000 1.005 604 L CA -0.489 54.341 54.840 -0.018 0.000 0.819 604 L CB 1.586 43.616 42.059 -0.048 0.000 1.311 604 L HN 0.808 nan 8.230 nan 0.000 0.423 605 H N 1.154 120.021 119.070 -0.338 0.000 2.717 605 H HA 0.708 5.264 4.556 -0.000 0.000 0.366 605 H C -1.724 173.268 175.328 -0.560 0.000 1.132 605 H CA -0.489 55.369 56.048 -0.317 0.000 1.180 605 H CB 1.343 31.023 29.762 -0.137 0.000 1.678 605 H HN 0.291 nan 8.280 nan 0.000 0.537 606 F N 4.505 124.073 119.950 -0.636 0.000 2.477 606 F HA 0.394 4.921 4.527 -0.000 0.000 0.335 606 F C -1.100 174.469 175.800 -0.384 0.000 1.130 606 F CA -0.612 57.242 58.000 -0.243 0.000 0.948 606 F CB 0.946 40.042 39.000 0.161 0.000 1.154 606 F HN 0.354 nan 8.300 nan 0.000 0.439 607 F N 2.343 122.323 119.950 0.049 0.000 2.443 607 F HA 0.682 5.209 4.527 -0.001 0.000 0.335 607 F C -0.255 175.487 175.800 -0.096 0.000 1.104 607 F CA -1.131 56.900 58.000 0.052 0.000 1.013 607 F CB 1.793 40.844 39.000 0.084 0.000 1.136 607 F HN 0.014 nan 8.300 nan 0.000 0.470 608 V N 2.317 122.241 119.914 0.017 0.000 2.357 608 V HA 0.382 4.502 4.120 -0.000 0.000 0.281 608 V C -0.389 175.675 176.094 -0.050 0.000 1.015 608 V CA -0.705 61.484 62.300 -0.185 0.000 0.827 608 V CB 1.445 32.892 31.823 -0.627 0.000 1.018 608 V HN 0.858 nan 8.190 nan 0.000 0.432 609 T N 1.719 116.276 114.554 0.004 0.000 2.888 609 T HA 0.922 5.272 4.350 -0.000 0.000 0.284 609 T C -0.351 174.362 174.700 0.021 0.000 1.017 609 T CA -0.587 61.515 62.100 0.003 0.000 1.022 609 T CB 2.282 71.162 68.868 0.020 0.000 1.013 609 T HN 1.022 nan 8.240 nan 0.000 0.465 610 A N 2.356 125.172 122.820 -0.005 0.000 2.459 610 A HA 0.750 5.069 4.320 -0.000 0.000 0.296 610 A C -0.465 177.103 177.584 -0.027 0.000 1.039 610 A CA -1.026 50.988 52.037 -0.038 0.000 0.698 610 A CB 1.557 20.588 19.000 0.052 0.000 1.261 610 A HN 0.954 nan 8.150 nan 0.000 0.405 611 R N 2.978 123.452 120.500 -0.044 0.000 2.338 611 R HA 0.594 4.934 4.340 -0.000 0.000 0.317 611 R C -1.261 174.990 176.300 -0.082 0.000 0.968 611 R CA -0.592 55.487 56.100 -0.035 0.000 0.849 611 R CB 0.648 30.961 30.300 0.022 0.000 1.128 611 R HN 0.705 nan 8.270 nan 0.000 0.448 612 I N 5.218 125.728 120.570 -0.099 0.000 2.379 612 I HA -0.037 4.133 4.170 -0.000 0.000 0.290 612 I C 1.181 177.252 176.117 -0.077 0.000 1.063 612 I CA -0.342 60.878 61.300 -0.133 0.000 1.351 612 I CB 1.010 38.854 38.000 -0.259 0.000 1.410 612 I HN 0.663 nan 8.210 nan 0.000 0.505 613 N N 4.363 123.039 118.700 -0.041 0.000 2.104 613 N HA -0.196 4.544 4.740 -0.000 0.000 0.190 613 N C 1.426 176.948 175.510 0.019 0.000 1.024 613 N CA 1.561 54.606 53.050 -0.008 0.000 0.853 613 N CB 0.082 38.568 38.487 -0.002 0.000 1.008 613 N HN 0.560 nan 8.380 nan 0.000 0.424 614 E N -0.958 119.281 120.200 0.065 0.000 2.158 614 E HA -0.026 4.324 4.350 -0.000 0.000 0.191 614 E C 1.853 178.494 176.600 0.069 0.000 0.982 614 E CA 1.252 57.716 56.400 0.106 0.000 0.823 614 E CB -0.185 29.662 29.700 0.245 0.000 0.766 614 E HN 0.570 nan 8.360 nan 0.000 0.468 615 T N -3.206 111.354 114.554 0.010 0.000 2.985 615 T HA 0.209 4.558 4.350 -0.000 0.000 0.254 615 T C 0.673 175.356 174.700 -0.028 0.000 1.021 615 T CA -0.354 61.738 62.100 -0.013 0.000 0.957 615 T CB 0.426 69.243 68.868 -0.084 0.000 1.047 615 T HN -0.137 nan 8.240 nan 0.000 0.511 616 R N 0.565 121.044 120.500 -0.035 0.000 3.994 616 R HA -0.104 4.236 4.340 -0.000 0.000 0.403 616 R C -0.916 175.359 176.300 -0.042 0.000 1.126 616 R CA 0.833 56.916 56.100 -0.029 0.000 1.143 616 R CB -2.859 27.436 30.300 -0.009 0.000 1.695 616 R HN 0.499 nan 8.270 nan 0.000 0.555 617 D N 0.129 120.483 120.400 -0.076 0.000 2.400 617 D HA 0.229 4.869 4.640 -0.000 0.000 0.238 617 D C 0.267 176.523 176.300 -0.073 0.000 1.157 617 D CA 0.120 54.072 54.000 -0.080 0.000 0.889 617 D CB 0.826 41.553 40.800 -0.122 0.000 1.199 617 D HN -0.160 nan 8.370 nan 0.000 0.436 618 V N 2.642 122.519 119.914 -0.061 0.000 2.459 618 V HA 0.367 4.487 4.120 -0.000 0.000 0.295 618 V C 0.152 176.190 176.094 -0.092 0.000 1.029 618 V CA -0.730 61.531 62.300 -0.065 0.000 0.874 618 V CB 1.269 33.061 31.823 -0.051 0.000 0.985 618 V HN 0.279 nan 8.190 nan 0.000 0.438 619 L N 4.197 125.363 121.223 -0.094 0.000 2.325 619 L HA 0.953 5.293 4.340 -0.000 0.000 0.278 619 L C 0.074 176.824 176.870 -0.200 0.000 1.023 619 L CA -0.398 54.373 54.840 -0.115 0.000 0.811 619 L CB 1.797 43.830 42.059 -0.044 0.000 1.249 619 L HN 0.755 nan 8.230 nan 0.000 0.431 620 A N 2.868 125.495 122.820 -0.322 0.000 2.549 620 A HA 0.926 5.245 4.320 -0.000 0.000 0.297 620 A C -1.242 176.165 177.584 -0.295 0.000 1.061 620 A CA -0.666 51.088 52.037 -0.473 0.000 0.690 620 A CB 2.148 20.344 19.000 -1.340 0.000 1.287 620 A HN 0.492 nan 8.150 nan 0.000 0.402 621 K N 0.615 120.994 120.400 -0.035 0.000 2.551 621 K HA 0.487 4.807 4.320 -0.000 0.000 0.269 621 K C -1.421 175.358 176.600 0.298 0.000 0.949 621 K CA -0.334 56.041 56.287 0.147 0.000 0.849 621 K CB 2.233 34.888 32.500 0.259 0.000 1.411 621 K HN 0.985 nan 8.250 nan 0.000 0.432 622 Q N 0.999 120.884 119.800 0.142 0.000 2.421 622 Q HA 0.728 5.067 4.340 -0.000 0.000 0.280 622 Q C -1.163 174.822 176.000 -0.024 0.000 1.085 622 Q CA -1.174 54.650 55.803 0.035 0.000 0.807 622 Q CB 2.903 31.531 28.738 -0.183 0.000 1.405 622 Q HN 0.308 nan 8.270 nan 0.000 0.419 623 K N 0.192 120.592 120.400 0.000 0.000 2.512 623 K HA 0.654 4.974 4.320 -0.000 0.000 0.263 623 K C -1.395 175.348 176.600 0.238 0.000 0.966 623 K CA -0.467 55.874 56.287 0.090 0.000 0.851 623 K CB 2.763 35.204 32.500 -0.098 0.000 1.395 623 K HN 0.607 nan 8.250 nan 0.000 0.440 624 S N 0.101 116.056 115.700 0.425 0.000 2.542 624 S HA 0.693 5.163 4.470 -0.000 0.000 0.293 624 S C -1.068 173.725 174.600 0.323 0.000 1.089 624 S CA -0.773 57.687 58.200 0.434 0.000 0.961 624 S CB 1.696 65.216 63.200 0.534 0.000 1.062 624 S HN 0.690 nan 8.310 nan 0.000 0.483 625 T N -1.349 113.371 114.554 0.276 0.000 2.864 625 T HA 0.850 5.200 4.350 -0.000 0.000 0.289 625 T C -0.615 174.110 174.700 0.040 0.000 1.082 625 T CA -0.867 61.298 62.100 0.109 0.000 1.009 625 T CB 1.041 69.920 68.868 0.019 0.000 1.234 625 T HN 0.732 nan 8.240 nan 0.000 0.526 626 V N -0.866 119.025 119.914 -0.038 0.000 2.876 626 V HA 0.749 4.868 4.120 -0.000 0.000 0.312 626 V C -0.571 175.454 176.094 -0.117 0.000 1.085 626 V CA -1.389 60.879 62.300 -0.053 0.000 0.945 626 V CB 1.187 33.005 31.823 -0.007 0.000 1.017 626 V HN 0.987 nan 8.190 nan 0.000 0.428 627 L N 2.438 123.582 121.223 -0.131 0.000 2.426 627 L HA 0.392 4.732 4.340 -0.000 0.000 0.271 627 L C 0.863 177.708 176.870 -0.043 0.000 1.169 627 L CA 0.373 55.143 54.840 -0.118 0.000 0.836 627 L CB 0.941 42.930 42.059 -0.116 0.000 1.112 627 L HN 0.811 nan 8.230 nan 0.000 0.465 628 T N 4.121 118.657 114.554 -0.030 0.000 2.794 628 T HA 0.456 4.805 4.350 -0.000 0.000 0.296 628 T C 0.130 174.852 174.700 0.037 0.000 0.949 628 T CA -0.135 61.965 62.100 0.000 0.000 1.101 628 T CB 0.226 69.086 68.868 -0.014 0.000 0.905 628 T HN 0.237 nan 8.240 nan 0.000 0.516 629 I N 4.889 125.497 120.570 0.064 0.000 2.577 629 I HA 0.346 4.516 4.170 -0.000 0.000 0.305 629 I C -1.821 174.352 176.117 0.094 0.000 0.986 629 I CA -2.785 58.566 61.300 0.084 0.000 1.189 629 I CB 1.286 39.343 38.000 0.094 0.000 1.355 629 I HN 0.379 nan 8.210 nan 0.000 0.476 630 P HA 0.102 nan 4.420 nan 0.000 0.271 630 P C -0.804 176.594 177.300 0.163 0.000 1.220 630 P CA -0.207 62.988 63.100 0.158 0.000 0.768 630 P CB 0.384 32.243 31.700 0.266 0.000 0.848 631 E N 2.236 122.514 120.200 0.130 0.000 2.383 631 E HA 0.180 4.530 4.350 -0.000 0.000 0.264 631 E C 0.647 177.350 176.600 0.172 0.000 1.050 631 E CA -0.362 56.111 56.400 0.121 0.000 0.896 631 E CB 0.898 30.650 29.700 0.086 0.000 0.982 631 E HN 0.388 nan 8.360 nan 0.000 0.424 632 I N 2.374 123.032 120.570 0.145 0.000 2.779 632 I HA -0.000 4.170 4.170 -0.000 0.000 0.285 632 I C 0.418 176.612 176.117 0.128 0.000 1.134 632 I CA -0.189 61.218 61.300 0.178 0.000 1.398 632 I CB 0.470 38.536 38.000 0.110 0.000 1.404 632 I HN 0.175 nan 8.210 nan 0.000 0.587 633 I N 6.256 126.904 120.570 0.130 0.000 2.354 633 I HA 0.400 4.569 4.170 -0.000 0.000 0.292 633 I C 0.011 176.167 176.117 0.066 0.000 0.989 633 I CA -0.354 60.993 61.300 0.078 0.000 1.188 633 I CB 0.955 38.990 38.000 0.059 0.000 1.342 633 I HN 0.345 nan 8.210 nan 0.000 0.457 634 I N 6.554 127.147 120.570 0.039 0.000 2.433 634 I HA 0.405 4.575 4.170 -0.000 0.000 0.292 634 I C -0.077 176.041 176.117 0.001 0.000 1.001 634 I CA -0.662 60.648 61.300 0.016 0.000 1.119 634 I CB 1.770 39.771 38.000 0.003 0.000 1.289 634 I HN 0.452 nan 8.210 nan 0.000 0.438 635 K N 4.950 125.345 120.400 -0.009 0.000 2.443 635 K HA 0.834 5.154 4.320 -0.000 0.000 0.251 635 K C -1.351 175.233 176.600 -0.028 0.000 0.972 635 K CA -0.815 55.464 56.287 -0.014 0.000 0.833 635 K CB 3.219 35.716 32.500 -0.006 0.000 1.317 635 K HN 0.413 nan 8.250 nan 0.000 0.441 636 V N -1.491 118.407 119.914 -0.026 0.000 3.007 636 V HA 0.768 4.887 4.120 -0.000 0.000 0.311 636 V C -1.109 174.971 176.094 -0.024 0.000 1.120 636 V CA -1.067 61.213 62.300 -0.032 0.000 0.980 636 V CB 1.873 33.674 31.823 -0.037 0.000 1.033 636 V HN 0.978 nan 8.190 nan 0.000 0.429 637 R N 1.312 121.798 120.500 -0.023 0.000 2.781 637 R HA 0.961 5.300 4.340 -0.000 0.000 0.269 637 R C 0.039 176.330 176.300 -0.015 0.000 1.025 637 R CA -0.262 55.828 56.100 -0.016 0.000 0.914 637 R CB 1.600 31.893 30.300 -0.011 0.000 1.236 637 R HN 2.506 nan 8.270 nan 0.000 0.465 638 G N 0.317 109.110 108.800 -0.011 0.000 2.592 638 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.684 638 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.684 638 G C -0.636 174.259 174.900 -0.008 0.000 1.291 638 G CA -0.539 44.557 45.100 -0.007 0.000 0.891 638 G HN 1.053 nan 8.290 nan 0.000 0.544 639 T N -1.355 113.196 114.554 -0.005 0.000 2.853 639 T HA 0.482 4.832 4.350 -0.000 0.000 0.298 639 T C 0.491 175.186 174.700 -0.007 0.000 0.978 639 T CA 0.214 62.311 62.100 -0.004 0.000 1.152 639 T CB 1.251 70.120 68.868 0.000 0.000 0.914 639 T HN 0.631 nan 8.240 nan 0.000 0.539 640 Q N 2.256 122.049 119.800 -0.011 0.000 2.835 640 Q HA 0.475 4.815 4.340 -0.000 0.000 0.235 640 Q C -0.921 175.072 176.000 -0.011 0.000 1.313 640 Q CA -0.528 55.266 55.803 -0.016 0.000 1.053 640 Q CB 0.397 29.123 28.738 -0.021 0.000 1.443 640 Q HN 0.610 nan 8.270 nan 0.000 0.576 641 V N 0.711 120.623 119.914 -0.004 0.000 2.808 641 V HA 0.245 4.365 4.120 -0.000 0.000 0.308 641 V C 0.214 176.317 176.094 0.015 0.000 1.099 641 V CA -1.134 61.168 62.300 0.004 0.000 0.920 641 V CB 1.953 33.780 31.823 0.008 0.000 1.014 641 V HN 0.232 nan 8.190 nan 0.000 0.425 642 V N 4.069 123.995 119.914 0.019 0.000 2.681 642 V HA 0.280 4.400 4.120 -0.000 0.000 0.306 642 V C 1.640 177.770 176.094 0.060 0.000 1.077 642 V CA 2.274 64.600 62.300 0.044 0.000 1.224 642 V CB 0.218 32.072 31.823 0.053 0.000 0.879 642 V HN 1.541 nan 8.190 nan 0.000 0.494 643 G N 4.062 112.913 108.800 0.086 0.000 2.205 643 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.261 643 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.261 643 G C 0.318 175.253 174.900 0.058 0.000 0.980 643 G CA 0.248 45.397 45.100 0.081 0.000 0.632 643 G HN 0.820 nan 8.290 nan 0.000 0.533 644 S N 1.238 116.964 115.700 0.045 0.000 2.525 644 S HA 0.537 5.007 4.470 -0.000 0.000 0.290 644 S C -0.362 174.257 174.600 0.032 0.000 1.152 644 S CA -0.739 57.481 58.200 0.033 0.000 1.072 644 S CB 1.559 64.771 63.200 0.021 0.000 1.027 644 S HN 0.284 nan 8.310 nan 0.000 0.500 645 D N 3.040 123.457 120.400 0.028 0.000 2.493 645 D HA 0.200 4.839 4.640 -0.000 0.000 0.240 645 D C 0.198 176.504 176.300 0.010 0.000 1.142 645 D CA 0.653 54.666 54.000 0.023 0.000 0.872 645 D CB 0.223 41.036 40.800 0.022 0.000 1.173 645 D HN 0.516 nan 8.370 nan 0.000 0.467 646 M N -0.950 118.651 119.600 0.002 0.000 2.572 646 M HA 0.509 4.989 4.480 -0.000 0.000 0.299 646 M C -0.817 175.469 176.300 -0.022 0.000 1.205 646 M CA -0.833 54.460 55.300 -0.012 0.000 0.876 646 M CB 2.229 34.817 32.600 -0.020 0.000 1.728 646 M HN -0.119 nan 8.290 nan 0.000 0.458 647 T N 2.144 116.682 114.554 -0.026 0.000 2.749 647 T HA 0.529 4.879 4.350 -0.000 0.000 0.287 647 T C -0.357 174.309 174.700 -0.057 0.000 0.970 647 T CA -0.479 61.599 62.100 -0.037 0.000 0.980 647 T CB 1.104 69.960 68.868 -0.020 0.000 0.924 647 T HN 0.489 nan 8.240 nan 0.000 0.456 648 V N 4.190 124.046 119.914 -0.097 0.000 2.481 648 V HA 0.412 4.532 4.120 -0.000 0.000 0.286 648 V C 0.517 176.535 176.094 -0.126 0.000 1.042 648 V CA -0.538 61.689 62.300 -0.121 0.000 0.928 648 V CB 1.651 33.370 31.823 -0.173 0.000 0.986 648 V HN 0.905 nan 8.190 nan 0.000 0.462 649 T N 4.340 118.849 114.554 -0.076 0.000 2.770 649 T HA 0.449 4.799 4.350 -0.000 0.000 0.283 649 T C -0.518 174.175 174.700 -0.013 0.000 0.988 649 T CA -0.272 61.806 62.100 -0.036 0.000 0.957 649 T CB 1.409 70.276 68.868 -0.000 0.000 0.930 649 T HN 0.617 nan 8.240 nan 0.000 0.443 650 V N 4.793 124.723 119.914 0.026 0.000 2.378 650 V HA 0.566 4.686 4.120 -0.000 0.000 0.288 650 V C -0.876 175.329 176.094 0.184 0.000 1.016 650 V CA -0.454 61.908 62.300 0.102 0.000 0.840 650 V CB 1.342 33.236 31.823 0.118 0.000 0.994 650 V HN 0.865 nan 8.190 nan 0.000 0.431 651 Q N 5.375 125.263 119.800 0.146 0.000 2.309 651 Q HA 0.544 4.883 4.340 -0.000 0.000 0.264 651 Q C -1.674 174.455 176.000 0.215 0.000 1.008 651 Q CA -0.586 55.302 55.803 0.142 0.000 0.853 651 Q CB 3.074 31.852 28.738 0.067 0.000 1.314 651 Q HN 0.818 nan 8.270 nan 0.000 0.448 652 F N 1.107 121.058 119.950 0.002 0.000 2.507 652 F HA 0.350 4.877 4.527 -0.000 0.000 0.328 652 F C -0.911 174.857 175.800 -0.053 0.000 1.136 652 F CA -0.546 57.446 58.000 -0.013 0.000 0.930 652 F CB 1.707 40.710 39.000 0.005 0.000 1.166 652 F HN 0.300 nan 8.300 nan 0.000 0.436 653 T N 5.036 119.139 114.554 -0.752 0.000 2.733 653 T HA 0.125 4.475 4.350 -0.000 0.000 0.294 653 T C -0.112 173.917 174.700 -1.118 0.000 0.956 653 T CA -0.543 61.124 62.100 -0.722 0.000 0.987 653 T CB 0.244 68.899 68.868 -0.355 0.000 0.920 653 T HN 0.524 nan 8.240 nan 0.000 0.470 654 N N 5.524 123.735 118.700 -0.816 0.000 2.418 654 N HA 0.020 4.759 4.740 -0.000 0.000 0.277 654 N C -1.031 174.320 175.510 -0.265 0.000 1.317 654 N CA -1.917 50.858 53.050 -0.457 0.000 0.922 654 N CB 0.867 39.235 38.487 -0.198 0.000 1.194 654 N HN 0.282 nan 8.380 nan 0.000 0.485 655 P HA -0.083 nan 4.420 nan 0.000 0.218 655 P C 0.635 177.912 177.300 -0.037 0.000 1.152 655 P CA 0.678 63.725 63.100 -0.088 0.000 0.826 655 P CB 0.403 32.084 31.700 -0.032 0.000 0.790 656 L N -0.459 120.759 121.223 -0.008 0.000 2.456 656 L HA 0.010 4.349 4.340 -0.000 0.000 0.266 656 L C 1.769 178.634 176.870 -0.009 0.000 1.258 656 L CA 0.276 55.122 54.840 0.009 0.000 0.823 656 L CB -0.219 41.860 42.059 0.033 0.000 1.100 656 L HN -0.217 nan 8.230 nan 0.000 0.531 657 K N -0.640 119.758 120.400 -0.003 0.000 2.353 657 K HA 0.051 4.370 4.320 -0.000 0.000 0.195 657 K C 0.176 176.773 176.600 -0.006 0.000 1.031 657 K CA -0.045 56.236 56.287 -0.010 0.000 1.079 657 K CB 0.319 32.812 32.500 -0.010 0.000 0.857 657 K HN 0.596 nan 8.250 nan 0.000 0.535 658 E N -0.580 119.622 120.200 0.003 0.000 2.345 658 E HA 0.135 4.485 4.350 -0.000 0.000 0.259 658 E C -0.657 175.946 176.600 0.006 0.000 1.117 658 E CA -0.533 55.871 56.400 0.007 0.000 0.913 658 E CB 0.979 30.689 29.700 0.017 0.000 1.057 658 E HN -0.242 nan 8.360 nan 0.000 0.432 659 T N 1.854 116.412 114.554 0.006 0.000 2.856 659 T HA 0.326 4.676 4.350 -0.000 0.000 0.292 659 T C -0.222 174.491 174.700 0.020 0.000 0.980 659 T CA -0.501 61.603 62.100 0.005 0.000 1.091 659 T CB 0.223 69.091 68.868 -0.000 0.000 0.936 659 T HN 0.295 nan 8.240 nan 0.000 0.503 660 L N 3.612 124.853 121.223 0.029 0.000 2.322 660 L HA 0.697 5.037 4.340 -0.000 0.000 0.279 660 L C 0.186 177.078 176.870 0.037 0.000 1.036 660 L CA -0.985 53.885 54.840 0.050 0.000 0.807 660 L CB 1.201 43.315 42.059 0.090 0.000 1.226 660 L HN 0.349 nan 8.230 nan 0.000 0.433 661 R N 1.797 122.318 120.500 0.035 0.000 2.599 661 R HA 0.379 4.719 4.340 -0.000 0.000 0.295 661 R C -0.512 175.794 176.300 0.010 0.000 0.963 661 R CA -0.746 55.364 56.100 0.017 0.000 0.883 661 R CB 1.046 31.357 30.300 0.017 0.000 1.171 661 R HN 0.595 nan 8.270 nan 0.000 0.450 662 N N 0.596 119.273 118.700 -0.038 0.000 2.714 662 N HA -0.158 4.582 4.740 -0.000 0.000 0.253 662 N C -0.916 174.528 175.510 -0.111 0.000 1.024 662 N CA 0.641 53.624 53.050 -0.112 0.000 0.726 662 N CB -1.022 37.455 38.487 -0.016 0.000 0.908 662 N HN 0.211 nan 8.380 nan 0.000 0.542 663 V N 0.647 120.506 119.914 -0.091 0.000 2.403 663 V HA 0.058 4.178 4.120 -0.000 0.000 0.265 663 V C 0.663 176.691 176.094 -0.109 0.000 1.034 663 V CA -0.114 62.188 62.300 0.003 0.000 1.036 663 V CB -0.367 31.533 31.823 0.128 0.000 1.032 663 V HN 0.213 nan 8.190 nan 0.000 0.478 664 W N 3.599 124.902 121.300 0.005 0.000 2.361 664 W HA 0.606 5.265 4.660 -0.000 0.000 0.309 664 W C -0.303 176.240 176.519 0.041 0.000 1.122 664 W CA -0.503 56.823 57.345 -0.033 0.000 1.208 664 W CB 1.599 31.056 29.460 -0.004 0.000 1.246 664 W HN 0.286 nan 8.180 nan 0.000 0.490 665 V N 4.289 124.347 119.914 0.239 0.000 2.513 665 V HA 0.344 4.464 4.120 -0.000 0.000 0.299 665 V C -0.042 176.262 176.094 0.351 0.000 1.035 665 V CA -0.892 61.578 62.300 0.285 0.000 0.889 665 V CB 1.146 33.163 31.823 0.322 0.000 0.988 665 V HN 0.471 nan 8.190 nan 0.000 0.440 666 H N 3.834 123.050 119.070 0.244 0.000 2.569 666 H HA 0.593 5.149 4.556 -0.000 0.000 0.357 666 H C -1.131 174.393 175.328 0.325 0.000 1.153 666 H CA -0.789 55.425 56.048 0.276 0.000 1.193 666 H CB 2.694 32.522 29.762 0.109 0.000 1.602 666 H HN 0.381 nan 8.280 nan 0.000 0.523 667 L N 2.310 123.775 121.223 0.403 0.000 2.354 667 L HA 0.445 4.785 4.340 -0.000 0.000 0.269 667 L C -0.862 176.056 176.870 0.080 0.000 1.005 667 L CA -0.228 54.688 54.840 0.127 0.000 0.819 667 L CB 1.721 43.654 42.059 -0.209 0.000 1.311 667 L HN 0.702 nan 8.230 nan 0.000 0.423 668 D N 1.751 122.157 120.400 0.009 0.000 2.639 668 D HA 0.750 5.390 4.640 -0.000 0.000 0.271 668 D C -1.215 175.045 176.300 -0.066 0.000 1.254 668 D CA 0.334 54.325 54.000 -0.015 0.000 0.810 668 D CB 2.469 43.251 40.800 -0.031 0.000 1.351 668 D HN 0.803 nan 8.370 nan 0.000 0.427 669 G N 1.807 110.557 108.800 -0.084 0.000 2.864 669 G HA2 0.211 4.171 3.960 -0.000 0.000 0.223 669 G HA3 0.211 4.171 3.960 -0.000 0.000 0.223 669 G C -3.015 171.784 174.900 -0.168 0.000 3.561 669 G CA -0.793 44.230 45.100 -0.128 0.000 0.548 669 G HN 0.300 nan 8.290 nan 0.000 0.377 670 P HA 0.224 nan 4.420 nan 0.000 0.261 670 P C 1.288 178.401 177.300 -0.312 0.000 1.173 670 P CA 1.968 65.003 63.100 -0.108 0.000 0.760 670 P CB 1.032 32.711 31.700 -0.034 0.000 0.783 671 G N 1.570 110.012 108.800 -0.597 0.000 2.179 671 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.260 671 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.260 671 G C 0.525 174.466 174.900 -1.599 0.000 0.977 671 G CA 0.235 44.565 45.100 -1.283 0.000 0.641 671 G HN 0.454 nan 8.290 nan 0.000 0.533 672 V N -1.318 117.901 119.914 -1.158 0.000 3.159 672 V HA 0.528 4.647 4.120 -0.000 0.000 0.234 672 V C 0.857 176.707 176.094 -0.406 0.000 1.313 672 V CA 1.755 63.677 62.300 -0.631 0.000 1.271 672 V CB 1.318 32.945 31.823 -0.327 0.000 1.053 672 V HN 0.851 nan 8.190 nan 0.000 0.476 673 T N -0.183 114.215 114.554 -0.259 0.000 2.885 673 T HA 0.390 4.739 4.350 -0.000 0.000 0.322 673 T C -1.097 173.782 174.700 0.300 0.000 1.387 673 T CA -0.557 61.633 62.100 0.150 0.000 1.041 673 T CB 1.787 70.680 68.868 0.042 0.000 1.287 673 T HN 0.032 nan 8.240 nan 0.000 0.491 674 R N 2.110 122.845 120.500 0.393 0.000 2.827 674 R HA 0.315 4.655 4.340 -0.000 0.000 0.269 674 R C -2.389 174.003 176.300 0.153 0.000 1.048 674 R CA -1.439 54.810 56.100 0.248 0.000 1.173 674 R CB -0.136 30.265 30.300 0.169 0.000 1.070 674 R HN 0.494 nan 8.270 nan 0.000 0.498 675 P HA 0.071 nan 4.420 nan 0.000 0.267 675 P C -0.628 176.752 177.300 0.133 0.000 1.205 675 P CA 0.674 63.846 63.100 0.120 0.000 0.765 675 P CB 0.496 32.270 31.700 0.123 0.000 0.828 676 M N 1.545 121.248 119.600 0.172 0.000 2.618 676 M HA 0.691 5.171 4.480 -0.000 0.000 0.281 676 M C -0.868 175.575 176.300 0.239 0.000 1.267 676 M CA -0.972 54.451 55.300 0.204 0.000 0.845 676 M CB 3.025 35.802 32.600 0.296 0.000 1.732 676 M HN 0.121 nan 8.290 nan 0.000 0.461 677 K N 0.376 120.794 120.400 0.030 0.000 2.512 677 K HA 0.805 5.125 4.320 -0.000 0.000 0.263 677 K C -1.804 174.594 176.600 -0.337 0.000 0.966 677 K CA -1.033 55.126 56.287 -0.215 0.000 0.851 677 K CB 3.089 35.219 32.500 -0.616 0.000 1.395 677 K HN 0.771 nan 8.250 nan 0.000 0.440 678 K N 2.135 122.159 120.400 -0.626 0.000 2.513 678 K HA 0.333 4.653 4.320 -0.000 0.000 0.251 678 K C -1.473 174.582 176.600 -0.908 0.000 0.939 678 K CA -0.659 55.093 56.287 -0.892 0.000 0.793 678 K CB 2.126 33.587 32.500 -1.731 0.000 1.241 678 K HN 0.760 nan 8.250 nan 0.000 0.431 679 M N 4.967 123.861 119.600 -1.177 0.000 2.157 679 M HA 0.373 4.853 4.480 -0.000 0.000 0.354 679 M C -1.487 174.174 176.300 -1.066 0.000 1.170 679 M CA -0.729 53.702 55.300 -1.449 0.000 1.060 679 M CB 0.503 31.807 32.600 -2.160 0.000 1.615 679 M HN 0.592 nan 8.290 nan 0.000 0.460 680 F N 4.494 124.155 119.950 -0.483 0.000 2.371 680 F HA 0.399 4.926 4.527 -0.000 0.000 0.363 680 F C 1.350 176.994 175.800 -0.260 0.000 1.122 680 F CA -0.626 57.197 58.000 -0.294 0.000 1.129 680 F CB 0.491 39.389 39.000 -0.171 0.000 1.173 680 F HN 0.579 nan 8.300 nan 0.000 0.489 681 R N 2.018 122.473 120.500 -0.074 0.000 2.133 681 R HA -0.166 4.174 4.340 -0.000 0.000 0.247 681 R C 0.008 176.292 176.300 -0.025 0.000 1.151 681 R CA 1.440 57.494 56.100 -0.078 0.000 0.971 681 R CB -0.541 29.720 30.300 -0.065 0.000 0.866 681 R HN 0.836 nan 8.270 nan 0.000 0.447 682 E N -0.762 119.444 120.200 0.011 0.000 2.380 682 E HA 0.449 4.799 4.350 -0.000 0.000 0.281 682 E C -1.185 175.414 176.600 -0.002 0.000 0.999 682 E CA -0.586 55.818 56.400 0.007 0.000 0.800 682 E CB 1.330 31.027 29.700 -0.004 0.000 1.228 682 E HN -0.055 nan 8.360 nan 0.000 0.436 683 I N 2.312 122.877 120.570 -0.008 0.000 2.439 683 I HA 0.422 4.592 4.170 -0.000 0.000 0.285 683 I C -0.141 175.952 176.117 -0.040 0.000 1.021 683 I CA -1.260 60.013 61.300 -0.045 0.000 1.091 683 I CB 1.279 39.248 38.000 -0.051 0.000 1.242 683 I HN 0.364 nan 8.210 nan 0.000 0.439 684 R N 5.021 125.490 120.500 -0.052 0.000 2.707 684 R HA 0.344 4.684 4.340 -0.000 0.000 0.270 684 R C -2.447 173.819 176.300 -0.056 0.000 1.083 684 R CA -2.434 53.640 56.100 -0.044 0.000 1.182 684 R CB -0.508 29.767 30.300 -0.041 0.000 1.084 684 R HN 0.207 nan 8.270 nan 0.000 0.528 685 P HA -0.211 nan 4.420 nan 0.000 0.261 685 P C 0.191 177.449 177.300 -0.069 0.000 1.165 685 P CA 0.747 63.817 63.100 -0.049 0.000 0.759 685 P CB 0.120 31.800 31.700 -0.034 0.000 0.772 686 N N 0.932 119.579 118.700 -0.089 0.000 2.686 686 N HA -0.230 4.509 4.740 -0.000 0.000 0.261 686 N C -0.967 174.475 175.510 -0.112 0.000 1.001 686 N CA 0.485 53.472 53.050 -0.104 0.000 0.764 686 N CB -0.603 37.840 38.487 -0.074 0.000 0.898 686 N HN 0.466 nan 8.380 nan 0.000 0.544 687 S N 0.117 115.731 115.700 -0.143 0.000 2.549 687 S HA 0.594 5.064 4.470 -0.000 0.000 0.280 687 S C -0.555 173.929 174.600 -0.194 0.000 1.109 687 S CA -0.366 57.750 58.200 -0.140 0.000 0.905 687 S CB 2.411 65.544 63.200 -0.111 0.000 1.081 687 S HN 0.164 nan 8.310 nan 0.000 0.477 688 T N 3.177 117.624 114.554 -0.179 0.000 2.797 688 T HA 0.622 4.972 4.350 -0.000 0.000 0.279 688 T C -0.073 174.491 174.700 -0.227 0.000 0.991 688 T CA -0.529 61.450 62.100 -0.202 0.000 0.979 688 T CB 1.185 69.965 68.868 -0.147 0.000 0.943 688 T HN 1.002 nan 8.240 nan 0.000 0.444 689 V N 1.593 121.319 119.914 -0.314 0.000 2.850 689 V HA 0.742 4.862 4.120 -0.000 0.000 0.315 689 V C -0.483 175.476 176.094 -0.225 0.000 1.064 689 V CA -0.978 61.015 62.300 -0.512 0.000 0.979 689 V CB 1.744 32.697 31.823 -1.450 0.000 1.039 689 V HN 0.883 nan 8.190 nan 0.000 0.452 690 Q N 2.151 121.909 119.800 -0.070 0.000 2.274 690 Q HA 0.370 4.710 4.340 -0.000 0.000 0.268 690 Q C -2.353 173.899 176.000 0.420 0.000 1.015 690 Q CA -0.508 55.390 55.803 0.158 0.000 0.775 690 Q CB 2.435 31.231 28.738 0.096 0.000 1.256 690 Q HN 0.933 nan 8.270 nan 0.000 0.442 691 W N 4.733 126.156 121.300 0.206 0.000 2.600 691 W HA 0.447 5.107 4.660 -0.000 0.000 0.325 691 W C -1.328 175.256 176.519 0.108 0.000 1.034 691 W CA -0.812 56.650 57.345 0.194 0.000 1.226 691 W CB 1.280 30.868 29.460 0.213 0.000 1.379 691 W HN 0.586 nan 8.180 nan 0.000 0.466 692 E N 4.184 124.514 120.200 0.216 0.000 2.187 692 E HA 0.312 4.662 4.350 -0.000 0.000 0.268 692 E C -0.719 175.804 176.600 -0.129 0.000 0.896 692 E CA -0.841 55.538 56.400 -0.036 0.000 0.766 692 E CB 2.553 32.274 29.700 0.034 0.000 1.142 692 E HN 0.221 nan 8.360 nan 0.000 0.408 693 E N 1.744 121.784 120.200 -0.267 0.000 2.234 693 E HA 0.200 4.550 4.350 -0.000 0.000 0.266 693 E C -1.168 175.367 176.600 -0.109 0.000 0.877 693 E CA -0.727 55.542 56.400 -0.218 0.000 0.758 693 E CB 2.823 32.278 29.700 -0.408 0.000 1.170 693 E HN 0.286 nan 8.360 nan 0.000 0.415 694 V N 3.552 123.446 119.914 -0.033 0.000 2.432 694 V HA 0.262 4.382 4.120 -0.000 0.000 0.271 694 V C -0.618 175.477 176.094 0.002 0.000 1.046 694 V CA -0.112 62.181 62.300 -0.012 0.000 0.945 694 V CB 0.120 31.950 31.823 0.012 0.000 0.992 694 V HN 0.696 nan 8.190 nan 0.000 0.471 695 C N 6.807 126.106 119.300 -0.002 0.000 2.456 695 C HA 0.659 5.119 4.460 -0.000 0.000 0.325 695 C C 0.090 175.113 174.990 0.054 0.000 1.217 695 C CA -0.788 58.248 59.018 0.029 0.000 1.687 695 C CB 1.371 29.099 27.740 -0.021 0.000 2.270 695 C HN 0.989 nan 8.230 nan 0.000 0.499 696 R N 2.875 123.448 120.500 0.121 0.000 2.371 696 R HA 0.388 4.727 4.340 -0.000 0.000 0.312 696 R C -2.791 173.639 176.300 0.217 0.000 0.980 696 R CA -1.054 55.126 56.100 0.132 0.000 0.867 696 R CB 1.129 31.508 30.300 0.131 0.000 1.163 696 R HN 0.479 nan 8.270 nan 0.000 0.492 697 P HA 0.023 nan 4.420 nan 0.000 0.271 697 P C -0.546 176.841 177.300 0.146 0.000 1.216 697 P CA -0.133 62.951 63.100 -0.027 0.000 0.771 697 P CB 0.243 31.883 31.700 -0.100 0.000 0.864 698 W N 2.026 123.334 121.300 0.012 0.000 3.127 698 W HA 0.503 5.163 4.660 -0.001 0.000 0.344 698 W C -1.136 175.392 176.519 0.016 0.000 1.151 698 W CA -0.399 56.956 57.345 0.017 0.000 1.765 698 W CB -0.184 29.289 29.460 0.022 0.000 1.085 698 W HN -0.131 nan 8.180 nan 0.000 0.596 699 V N 2.572 122.390 119.914 -0.160 0.000 2.709 699 V HA 0.511 4.630 4.120 -0.000 0.000 0.308 699 V C 0.169 176.206 176.094 -0.095 0.000 1.062 699 V CA -0.780 61.448 62.300 -0.120 0.000 0.901 699 V CB 1.768 33.464 31.823 -0.213 0.000 1.003 699 V HN 0.135 nan 8.190 nan 0.000 0.425 700 S N 2.709 118.385 115.700 -0.039 0.000 2.681 700 S HA 1.010 5.480 4.470 -0.000 0.000 0.299 700 S C 0.149 174.738 174.600 -0.019 0.000 1.113 700 S CA 0.193 58.379 58.200 -0.024 0.000 1.013 700 S CB 1.860 65.059 63.200 -0.001 0.000 1.076 700 S HN 2.338 nan 8.310 nan 0.000 0.534 701 G N 0.594 109.394 108.800 -0.001 0.000 2.447 701 G HA2 -0.065 3.894 3.960 -0.000 0.000 0.220 701 G HA3 -0.065 3.894 3.960 -0.000 0.000 0.220 701 G C -0.636 174.305 174.900 0.070 0.000 1.261 701 G CA -0.420 44.696 45.100 0.027 0.000 1.000 701 G HN 1.335 nan 8.290 nan 0.000 0.515 702 H N 1.584 120.633 119.070 -0.034 0.000 2.955 702 H HA 0.515 5.071 4.556 -0.000 0.000 0.290 702 H C 0.457 175.756 175.328 -0.048 0.000 1.047 702 H CA -0.300 55.725 56.048 -0.038 0.000 1.484 702 H CB 0.172 29.917 29.762 -0.027 0.000 1.501 702 H HN 0.428 nan 8.280 nan 0.000 0.521 703 R N 3.918 124.501 120.500 0.139 0.000 2.939 703 R HA 0.402 4.742 4.340 -0.000 0.000 0.254 703 R C -1.000 175.294 176.300 -0.010 0.000 1.123 703 R CA -1.123 54.947 56.100 -0.051 0.000 1.020 703 R CB 1.914 32.162 30.300 -0.088 0.000 1.206 703 R HN 0.576 nan 8.270 nan 0.000 0.491 704 K N 0.511 120.859 120.400 -0.086 0.000 2.464 704 K HA 0.484 4.803 4.320 -0.000 0.000 0.253 704 K C -1.264 175.290 176.600 -0.077 0.000 0.933 704 K CA -0.436 55.818 56.287 -0.055 0.000 0.801 704 K CB 1.613 34.064 32.500 -0.082 0.000 1.271 704 K HN 0.359 nan 8.250 nan 0.000 0.430 705 L N 4.806 125.994 121.223 -0.058 0.000 2.322 705 L HA 0.607 4.947 4.340 -0.000 0.000 0.279 705 L C -0.539 176.301 176.870 -0.049 0.000 1.036 705 L CA -0.768 54.032 54.840 -0.068 0.000 0.807 705 L CB 1.226 43.243 42.059 -0.069 0.000 1.226 705 L HN 0.535 nan 8.230 nan 0.000 0.433 706 I N 1.989 122.531 120.570 -0.047 0.000 2.619 706 I HA 0.730 4.899 4.170 -0.000 0.000 0.292 706 I C -0.588 175.539 176.117 0.017 0.000 1.100 706 I CA -0.473 60.810 61.300 -0.028 0.000 1.043 706 I CB 2.215 40.174 38.000 -0.068 0.000 1.239 706 I HN 0.643 nan 8.210 nan 0.000 0.420 707 A N 3.666 126.521 122.820 0.058 0.000 2.498 707 A HA 0.923 5.243 4.320 -0.000 0.000 0.298 707 A C -0.762 176.898 177.584 0.128 0.000 1.075 707 A CA -0.479 51.621 52.037 0.105 0.000 0.714 707 A CB 2.011 21.070 19.000 0.098 0.000 1.299 707 A HN 0.717 nan 8.150 nan 0.000 0.407 708 S N 1.272 117.035 115.700 0.105 0.000 2.661 708 S HA 0.862 5.332 4.470 -0.000 0.000 0.285 708 S C -0.729 173.809 174.600 -0.102 0.000 1.138 708 S CA -0.641 57.527 58.200 -0.054 0.000 0.855 708 S CB 1.921 65.095 63.200 -0.043 0.000 1.136 708 S HN 1.331 nan 8.310 nan 0.000 0.484 709 M N 2.460 121.878 119.600 -0.304 0.000 2.326 709 M HA 0.602 5.082 4.480 -0.000 0.000 0.292 709 M C -1.577 174.576 176.300 -0.245 0.000 1.081 709 M CA -0.176 54.970 55.300 -0.256 0.000 0.919 709 M CB 1.820 34.084 32.600 -0.561 0.000 1.634 709 M HN 0.976 nan 8.290 nan 0.000 0.451 710 S N 3.143 118.798 115.700 -0.075 0.000 2.547 710 S HA 0.879 5.349 4.470 -0.000 0.000 0.281 710 S C -0.796 173.848 174.600 0.074 0.000 1.118 710 S CA -0.167 58.008 58.200 -0.041 0.000 0.947 710 S CB 1.401 64.565 63.200 -0.059 0.000 1.053 710 S HN 0.904 nan 8.310 nan 0.000 0.482 711 S N 2.995 118.733 115.700 0.062 0.000 2.810 711 S HA 0.542 5.012 4.470 -0.000 0.000 0.315 711 S C 0.023 174.683 174.600 0.101 0.000 1.138 711 S CA -0.581 57.676 58.200 0.094 0.000 0.889 711 S CB 0.716 63.961 63.200 0.075 0.000 1.236 711 S HN 0.543 nan 8.310 nan 0.000 0.548 712 D N 0.942 121.395 120.400 0.089 0.000 2.219 712 D HA 0.040 4.680 4.640 -0.000 0.000 0.205 712 D C 1.757 178.100 176.300 0.071 0.000 0.970 712 D CA 1.663 55.711 54.000 0.079 0.000 0.851 712 D CB -0.072 40.762 40.800 0.057 0.000 0.943 712 D HN 0.560 nan 8.370 nan 0.000 0.488 713 S N -0.438 115.303 115.700 0.069 0.000 3.064 713 S HA 0.105 4.575 4.470 -0.000 0.000 0.170 713 S C 0.526 175.169 174.600 0.072 0.000 0.713 713 S CA -0.530 57.711 58.200 0.068 0.000 0.891 713 S CB -0.306 62.930 63.200 0.060 0.000 0.772 713 S HN 0.048 nan 8.310 nan 0.000 0.701 714 L N 4.151 125.415 121.223 0.069 0.000 2.678 714 L HA 0.183 4.523 4.340 -0.000 0.000 0.285 714 L C 0.291 177.175 176.870 0.022 0.000 1.233 714 L CA 0.749 55.624 54.840 0.059 0.000 0.920 714 L CB -0.461 41.649 42.059 0.085 0.000 1.176 714 L HN 0.807 nan 8.230 nan 0.000 0.495 715 R N 2.456 122.958 120.500 0.003 0.000 2.909 715 R HA 0.379 4.718 4.340 -0.000 0.000 0.262 715 R C -0.379 175.882 176.300 -0.065 0.000 1.095 715 R CA -0.664 55.399 56.100 -0.061 0.000 0.965 715 R CB 0.389 30.680 30.300 -0.016 0.000 1.300 715 R HN 0.531 nan 8.270 nan 0.000 0.442 716 H N -1.586 117.298 119.070 -0.310 0.000 2.880 716 H HA -0.081 4.475 4.556 -0.000 0.000 0.304 716 H C -1.683 173.270 175.328 -0.625 0.000 1.259 716 H CA 0.744 56.540 56.048 -0.420 0.000 1.153 716 H CB -0.649 28.996 29.762 -0.195 0.000 1.395 716 H HN 0.337 nan 8.280 nan 0.000 0.420 717 V N 1.923 121.299 119.914 -0.898 0.000 2.448 717 V HA 0.485 4.605 4.120 -0.000 0.000 0.295 717 V C -0.285 175.229 176.094 -0.966 0.000 1.025 717 V CA -0.413 61.466 62.300 -0.702 0.000 0.859 717 V CB 1.148 32.654 31.823 -0.529 0.000 0.988 717 V HN 0.282 nan 8.190 nan 0.000 0.431 718 Y N 2.073 122.298 120.300 -0.125 0.000 2.605 718 Y HA 0.900 5.450 4.550 -0.001 0.000 0.343 718 Y C 0.567 176.443 175.900 -0.041 0.000 1.036 718 Y CA -0.757 57.279 58.100 -0.108 0.000 1.065 718 Y CB 2.594 40.977 38.460 -0.127 0.000 1.288 718 Y HN 0.743 nan 8.280 nan 0.000 0.481 719 G N 0.154 109.038 108.800 0.140 0.000 2.684 719 G HA2 0.675 4.635 3.960 -0.000 0.000 0.290 719 G HA3 0.675 4.635 3.960 -0.000 0.000 0.290 719 G C -1.853 173.082 174.900 0.058 0.000 1.425 719 G CA -1.017 44.136 45.100 0.089 0.000 0.822 719 G HN 0.686 nan 8.290 nan 0.000 0.482 720 E N -1.005 119.215 120.200 0.032 0.000 2.423 720 E HA 0.694 5.044 4.350 -0.000 0.000 0.280 720 E C -1.937 174.666 176.600 0.005 0.000 1.030 720 E CA -1.084 55.320 56.400 0.008 0.000 0.812 720 E CB 2.452 32.146 29.700 -0.010 0.000 1.313 720 E HN 0.534 nan 8.360 nan 0.000 0.456 721 L N 1.959 123.180 121.223 -0.004 0.000 2.476 721 L HA 0.391 4.731 4.340 -0.000 0.000 0.269 721 L C -1.391 175.485 176.870 0.009 0.000 0.965 721 L CA -0.644 54.195 54.840 -0.001 0.000 0.845 721 L CB 1.852 43.906 42.059 -0.009 0.000 1.259 721 L HN 0.794 nan 8.230 nan 0.000 0.403 722 D N 4.066 124.485 120.400 0.032 0.000 2.414 722 D HA 0.350 4.990 4.640 -0.000 0.000 0.242 722 D C -0.199 176.119 176.300 0.031 0.000 1.129 722 D CA 0.352 54.401 54.000 0.082 0.000 0.885 722 D CB 2.200 43.047 40.800 0.078 0.000 1.198 722 D HN 0.349 nan 8.370 nan 0.000 0.437 723 V N -0.562 119.390 119.914 0.064 0.000 2.733 723 V HA 0.249 4.368 4.120 -0.000 0.000 0.306 723 V C -0.681 175.432 176.094 0.032 0.000 1.084 723 V CA -1.122 61.185 62.300 0.012 0.000 0.905 723 V CB 2.194 34.008 31.823 -0.014 0.000 1.010 723 V HN 0.262 nan 8.190 nan 0.000 0.424 724 Q N 4.199 123.992 119.800 -0.012 0.000 2.307 724 Q HA 0.469 4.809 4.340 -0.000 0.000 0.259 724 Q C -0.629 175.364 176.000 -0.011 0.000 0.998 724 Q CA -0.243 55.556 55.803 -0.008 0.000 0.923 724 Q CB 1.556 30.275 28.738 -0.032 0.000 1.196 724 Q HN 0.688 nan 8.270 nan 0.000 0.416 725 I N 3.308 123.872 120.570 -0.010 0.000 2.331 725 I HA 0.143 4.312 4.170 -0.000 0.000 0.292 725 I C 0.566 176.676 176.117 -0.012 0.000 0.998 725 I CA -0.684 60.603 61.300 -0.021 0.000 1.267 725 I CB 1.079 39.052 38.000 -0.044 0.000 1.386 725 I HN 0.300 nan 8.210 nan 0.000 0.476 726 Q N 5.270 125.065 119.800 -0.009 0.000 2.293 726 Q HA 0.279 4.618 4.340 -0.000 0.000 0.251 726 Q C 0.523 176.524 176.000 0.003 0.000 0.930 726 Q CA -0.459 55.343 55.803 -0.003 0.000 0.893 726 Q CB 1.288 30.024 28.738 -0.003 0.000 1.215 726 Q HN 0.388 nan 8.270 nan 0.000 0.425 727 R N 0.000 120.504 120.500 0.006 0.000 2.786 727 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 727 R CA 0.000 56.107 56.100 0.012 0.000 0.921 727 R CB 0.000 30.307 30.300 0.011 0.000 0.687 727 R HN 0.000 nan 8.270 nan 0.000 0.535