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 2is1_1_A DATA FIRST_RESID 2 DATA SEQUENCE DVSYLLDSLN DKQREAVAAP RSNLLVLAGA GSGKTRVLVH RIAWLMSVEN DATA SEQUENCE CSPYSIMAVT FTNKAAAEMR HRIGQLMGTS QGGMWVGTFH GLAHRLLRAH DATA SEQUENCE HMDANLPQDF QILDSEDQLR LLKRLIKAMN LDEKQWPPRQ AMWYINSQKD DATA SEQUENCE EGLRPHHIQS YGNPVEQTWQ KVYQAYQEAC DRAGLVDFAE LLLRAHELWL DATA SEQUENCE NKPHILQHYR ERFTNILVDE FQDTNNIQYA WIRLLAGDTG KVMIVGDDDQ DATA SEQUENCE SIYGWRGAQV ENIQRFLNDF PGAETIRLEQ NYRSTSNILS AANALIENNN DATA SEQUENCE GRLGKKLWTD GADGEPISLY CAFNELDEAR FVVNRIKTWQ DNGGALAECA DATA SEQUENCE ILYRSNAQSR VLEEALLQAS MPYRIYGGMR FFERQEIKDA LSYLRLIVNR DATA SEQUENCE NDDAAFERVV NTPTRGIGDR TLDVVRQTSR DRQLTLWQAC RELLQEKALA DATA SEQUENCE GRAASALQRF MELIDALAQE TADMPLHVQT DRVIKDSGLR TMYEQEKGEK DATA SEQUENCE GQTRIENLEE LVTATRQFSY NXXXEDLMPL QAFLSHAALE AGEGQADTWQ DATA SEQUENCE DAVQLMTLHS AKGLEFPQVF IVGMEEGMFP SQMSLDEGGR LEEERRLAYV DATA SEQUENCE GVTRAMQKLT LTYAETRRLY GKEVYHRPSR FIGELPEECV EEVRLRATVS DATA SEQUENCE RP 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 2 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.354 176.300 0.091 0.000 2.045 2 D CA 0.000 54.024 54.000 0.040 0.000 0.868 2 D CB 0.000 40.834 40.800 0.056 0.000 0.688 3 V N 0.491 120.417 119.914 0.020 0.000 2.317 3 V HA -0.124 3.991 4.120 -0.008 0.000 0.251 3 V C 2.629 178.858 176.094 0.226 0.000 1.065 3 V CA 3.472 65.828 62.300 0.093 0.000 1.049 3 V CB -0.565 31.305 31.823 0.078 0.000 0.651 3 V HN 0.688 nan 8.190 nan 0.000 0.450 4 S N -1.926 113.876 115.700 0.169 0.000 2.414 4 S HA -0.081 4.384 4.470 -0.008 0.000 0.227 4 S C 1.966 176.682 174.600 0.192 0.000 1.022 4 S CA 1.157 59.456 58.200 0.165 0.000 0.958 4 S CB -0.389 62.884 63.200 0.122 0.000 0.797 4 S HN 0.898 nan 8.310 nan 0.000 0.493 5 Y N 2.159 122.506 120.300 0.079 0.000 2.256 5 Y HA -0.051 4.494 4.550 -0.008 0.000 0.288 5 Y C 1.468 177.432 175.900 0.107 0.000 1.155 5 Y CA 1.283 59.423 58.100 0.067 0.000 1.203 5 Y CB -0.253 38.223 38.460 0.027 0.000 0.980 5 Y HN 0.201 nan 8.280 nan 0.000 0.530 6 L N -1.092 120.145 121.223 0.022 0.000 2.554 6 L HA 0.063 4.398 4.340 -0.008 0.000 0.225 6 L C 1.566 178.555 176.870 0.198 0.000 1.104 6 L CA 0.147 55.004 54.840 0.029 0.000 0.866 6 L CB 0.050 42.248 42.059 0.233 0.000 1.047 6 L HN 0.183 nan 8.230 nan 0.000 0.468 7 L N -1.443 119.876 121.223 0.159 0.000 2.537 7 L HA 0.109 4.445 4.340 -0.008 0.000 0.224 7 L C 1.755 178.644 176.870 0.032 0.000 1.065 7 L CA -0.030 54.860 54.840 0.082 0.000 0.860 7 L CB -0.124 41.995 42.059 0.101 0.000 1.086 7 L HN 0.084 nan 8.230 nan 0.000 0.482 8 D N 0.830 121.259 120.400 0.050 0.000 2.104 8 D HA -0.190 4.445 4.640 -0.008 0.000 0.194 8 D C 2.277 178.578 176.300 0.001 0.000 0.994 8 D CA 2.078 56.097 54.000 0.033 0.000 0.830 8 D CB -0.059 40.773 40.800 0.054 0.000 0.959 8 D HN 0.341 nan 8.370 nan 0.000 0.452 9 S N 0.145 115.833 115.700 -0.021 0.000 2.453 9 S HA -0.046 4.419 4.470 -0.008 0.000 0.231 9 S C 1.265 175.796 174.600 -0.114 0.000 1.005 9 S CA 0.059 58.225 58.200 -0.056 0.000 0.949 9 S CB -0.445 62.717 63.200 -0.063 0.000 0.774 9 S HN 0.129 nan 8.310 nan 0.000 0.510 10 L N 3.018 124.155 121.223 -0.143 0.000 2.417 10 L HA 0.334 4.670 4.340 -0.008 0.000 0.268 10 L C 0.558 177.373 176.870 -0.092 0.000 1.158 10 L CA -0.740 53.989 54.840 -0.185 0.000 0.819 10 L CB 0.045 41.970 42.059 -0.223 0.000 1.112 10 L HN 0.344 nan 8.230 nan 0.000 0.458 11 N N -0.028 118.628 118.700 -0.072 0.000 2.379 11 N HA 0.017 4.753 4.740 -0.008 0.000 0.260 11 N C 0.535 176.051 175.510 0.010 0.000 1.254 11 N CA -0.361 52.698 53.050 0.015 0.000 0.958 11 N CB 0.360 38.910 38.487 0.106 0.000 1.208 11 N HN 0.671 nan 8.380 nan 0.000 0.532 12 D N 0.362 120.789 120.400 0.046 0.000 2.160 12 D HA -0.308 4.328 4.640 -0.008 0.000 0.189 12 D C 0.831 177.140 176.300 0.015 0.000 1.003 12 D CA 1.962 55.983 54.000 0.034 0.000 0.846 12 D CB -0.339 40.497 40.800 0.061 0.000 0.949 12 D HN 0.673 nan 8.370 nan 0.000 0.446 13 K N -0.233 120.190 120.400 0.037 0.000 2.365 13 K HA 0.033 4.349 4.320 -0.008 0.000 0.197 13 K C 2.443 179.029 176.600 -0.023 0.000 1.042 13 K CA 0.339 56.636 56.287 0.018 0.000 0.987 13 K CB 0.093 32.627 32.500 0.056 0.000 0.779 13 K HN 0.363 nan 8.250 nan 0.000 0.484 14 Q N 0.270 120.044 119.800 -0.042 0.000 2.083 14 Q HA -0.062 4.273 4.340 -0.008 0.000 0.198 14 Q C 1.956 177.878 176.000 -0.130 0.000 0.969 14 Q CA 0.982 56.728 55.803 -0.093 0.000 0.838 14 Q CB 0.028 28.687 28.738 -0.132 0.000 0.900 14 Q HN 0.226 nan 8.270 nan 0.000 0.436 15 R N 0.900 121.327 120.500 -0.122 0.000 2.091 15 R HA -0.198 4.137 4.340 -0.008 0.000 0.238 15 R C 2.220 178.404 176.300 -0.192 0.000 1.136 15 R CA 1.568 57.569 56.100 -0.165 0.000 0.959 15 R CB -0.280 29.954 30.300 -0.110 0.000 0.856 15 R HN 0.345 nan 8.270 nan 0.000 0.437 16 E N 0.956 121.083 120.200 -0.121 0.000 2.086 16 E HA -0.268 4.077 4.350 -0.008 0.000 0.200 16 E C 1.906 178.421 176.600 -0.142 0.000 1.012 16 E CA 1.759 58.095 56.400 -0.107 0.000 0.812 16 E CB -0.086 29.581 29.700 -0.055 0.000 0.743 16 E HN 0.393 nan 8.360 nan 0.000 0.453 17 A N 0.204 122.942 122.820 -0.138 0.000 1.854 17 A HA -0.082 4.234 4.320 -0.008 0.000 0.214 17 A C 2.465 179.918 177.584 -0.218 0.000 1.192 17 A CA 1.393 53.345 52.037 -0.142 0.000 0.611 17 A CB -0.664 18.272 19.000 -0.107 0.000 0.832 17 A HN 0.221 nan 8.150 nan 0.000 0.442 18 V N -0.292 119.459 119.914 -0.272 0.000 2.407 18 V HA -0.195 3.920 4.120 -0.008 0.000 0.248 18 V C 2.675 178.265 176.094 -0.840 0.000 1.055 18 V CA 1.972 64.039 62.300 -0.389 0.000 1.049 18 V CB -0.974 30.663 31.823 -0.309 0.000 0.662 18 V HN 0.595 nan 8.190 nan 0.000 0.455 19 A N -0.679 121.621 122.820 -0.867 0.000 2.308 19 A HA 0.620 4.935 4.320 -0.008 0.000 0.217 19 A C 1.322 178.642 177.584 -0.440 0.000 1.216 19 A CA 0.523 51.876 52.037 -1.141 0.000 0.864 19 A CB -0.325 18.140 19.000 -0.892 0.000 0.902 19 A HN 0.505 nan 8.150 nan 0.000 0.499 20 A N 1.533 124.187 122.820 -0.278 0.000 2.475 20 A HA 0.460 4.776 4.320 -0.008 0.000 0.239 20 A C -1.839 175.738 177.584 -0.012 0.000 1.087 20 A CA -0.566 51.410 52.037 -0.103 0.000 0.779 20 A CB -0.382 18.570 19.000 -0.079 0.000 1.036 20 A HN 0.355 nan 8.150 nan 0.000 0.506 21 P HA 0.155 nan 4.420 nan 0.000 0.274 21 P C -0.695 176.646 177.300 0.068 0.000 1.237 21 P CA -0.469 62.677 63.100 0.078 0.000 0.793 21 P CB 0.475 32.211 31.700 0.060 0.000 0.977 22 R N 1.227 121.778 120.500 0.085 0.000 2.473 22 R HA 0.234 4.569 4.340 -0.008 0.000 0.315 22 R C 0.620 176.949 176.300 0.048 0.000 0.972 22 R CA 0.836 56.977 56.100 0.069 0.000 1.047 22 R CB -0.255 30.086 30.300 0.068 0.000 0.932 22 R HN 0.787 nan 8.270 nan 0.000 0.411 23 S N 2.045 117.770 115.700 0.040 0.000 2.671 23 S HA 0.241 4.706 4.470 -0.008 0.000 0.270 23 S C -1.281 173.340 174.600 0.035 0.000 1.166 23 S CA -1.216 57.007 58.200 0.039 0.000 0.868 23 S CB 1.058 64.280 63.200 0.037 0.000 1.190 23 S HN 0.502 nan 8.310 nan 0.000 0.494 24 N N 1.370 120.094 118.700 0.040 0.000 2.455 24 N HA 0.742 5.477 4.740 -0.008 0.000 0.280 24 N C -0.601 174.956 175.510 0.078 0.000 1.055 24 N CA -0.330 52.741 53.050 0.035 0.000 0.961 24 N CB 1.109 39.533 38.487 -0.106 0.000 1.121 24 N HN 0.809 nan 8.380 nan 0.000 0.476 25 L N -1.594 119.703 121.223 0.124 0.000 2.622 25 L HA 0.650 4.985 4.340 -0.008 0.000 0.258 25 L C -1.522 175.361 176.870 0.021 0.000 0.996 25 L CA -1.336 53.565 54.840 0.102 0.000 0.858 25 L CB 1.676 43.746 42.059 0.019 0.000 1.449 25 L HN 0.219 nan 8.230 nan 0.000 0.411 26 L N 2.144 123.382 121.223 0.025 0.000 2.298 26 L HA 0.680 5.016 4.340 -0.008 0.000 0.284 26 L C -1.104 175.731 176.870 -0.059 0.000 1.013 26 L CA -0.246 54.536 54.840 -0.097 0.000 0.824 26 L CB 1.728 43.800 42.059 0.022 0.000 1.221 26 L HN 0.481 nan 8.230 nan 0.000 0.418 27 V N 6.634 126.492 119.914 -0.094 0.000 2.320 27 V HA 0.238 4.353 4.120 -0.008 0.000 0.265 27 V C 0.071 176.146 176.094 -0.032 0.000 1.048 27 V CA -0.424 61.844 62.300 -0.054 0.000 0.865 27 V CB 1.013 32.797 31.823 -0.064 0.000 1.043 27 V HN 0.666 nan 8.190 nan 0.000 0.474 28 L N 6.271 127.492 121.223 -0.004 0.000 2.385 28 L HA 0.512 4.847 4.340 -0.008 0.000 0.285 28 L C 0.802 177.684 176.870 0.020 0.000 1.125 28 L CA 0.191 55.041 54.840 0.017 0.000 0.890 28 L CB 0.284 42.362 42.059 0.031 0.000 1.251 28 L HN 0.649 nan 8.230 nan 0.000 0.445 29 A N 4.417 127.248 122.820 0.018 0.000 2.347 29 A HA 0.614 4.929 4.320 -0.008 0.000 0.287 29 A C 0.871 178.476 177.584 0.034 0.000 1.199 29 A CA 0.074 52.121 52.037 0.017 0.000 0.851 29 A CB -0.161 18.842 19.000 0.006 0.000 1.118 29 A HN 0.812 nan 8.150 nan 0.000 0.525 30 G N 0.963 109.784 108.800 0.035 0.000 2.590 30 G HA2 0.415 4.370 3.960 -0.008 0.000 0.276 30 G HA3 0.415 4.370 3.960 -0.008 0.000 0.276 30 G C 1.186 176.111 174.900 0.043 0.000 1.337 30 G CA 0.208 45.341 45.100 0.054 0.000 1.030 30 G HN 1.217 nan 8.290 nan 0.000 0.534 31 A N -0.432 122.413 122.820 0.042 0.000 1.821 31 A HA 0.227 4.542 4.320 -0.008 0.000 0.215 31 A C 2.151 179.714 177.584 -0.036 0.000 1.216 31 A CA 1.976 54.008 52.037 -0.008 0.000 0.615 31 A CB -1.072 17.877 19.000 -0.085 0.000 0.862 31 A HN 1.430 nan 8.150 nan 0.000 0.450 32 G N -0.334 108.433 108.800 -0.054 0.000 3.709 32 G HA2 0.361 4.317 3.960 -0.008 0.000 0.272 32 G HA3 0.361 4.317 3.960 -0.008 0.000 0.272 32 G C 0.753 175.661 174.900 0.014 0.000 1.259 32 G CA 0.712 45.789 45.100 -0.038 0.000 1.512 32 G HN 0.639 nan 8.290 nan 0.000 0.625 33 S N -0.832 114.868 115.700 -0.001 0.000 2.558 33 S HA 0.326 4.791 4.470 -0.008 0.000 0.217 33 S C 1.667 176.236 174.600 -0.050 0.000 0.975 33 S CA 0.395 58.605 58.200 0.017 0.000 0.912 33 S CB 0.261 63.459 63.200 -0.002 0.000 0.776 33 S HN 1.439 nan 8.310 nan 0.000 0.526 34 G N 3.034 111.783 108.800 -0.084 0.000 2.212 34 G HA2 -0.334 3.622 3.960 -0.008 0.000 0.255 34 G HA3 -0.334 3.622 3.960 -0.008 0.000 0.255 34 G C 0.582 175.416 174.900 -0.111 0.000 1.062 34 G CA 0.388 45.403 45.100 -0.141 0.000 0.815 34 G HN 0.724 nan 8.290 nan 0.000 0.497 35 K N -1.318 119.042 120.400 -0.067 0.000 2.103 35 K HA -0.110 4.206 4.320 -0.008 0.000 0.207 35 K C 2.131 178.704 176.600 -0.046 0.000 1.048 35 K CA 1.993 58.251 56.287 -0.050 0.000 0.930 35 K CB -0.518 31.968 32.500 -0.022 0.000 0.716 35 K HN 0.251 nan 8.250 nan 0.000 0.444 36 T N 1.230 115.760 114.554 -0.041 0.000 2.708 36 T HA -0.162 4.184 4.350 -0.008 0.000 0.266 36 T C 1.854 176.538 174.700 -0.026 0.000 1.037 36 T CA 1.591 63.676 62.100 -0.024 0.000 1.146 36 T CB -0.266 68.590 68.868 -0.020 0.000 0.865 36 T HN 0.401 nan 8.240 nan 0.000 0.435 37 R N 0.732 121.195 120.500 -0.063 0.000 2.117 37 R HA -0.122 4.214 4.340 -0.008 0.000 0.243 37 R C 2.223 178.478 176.300 -0.074 0.000 1.143 37 R CA 1.377 57.428 56.100 -0.082 0.000 0.968 37 R CB -0.551 29.625 30.300 -0.207 0.000 0.863 37 R HN 0.265 nan 8.270 nan 0.000 0.444 38 V N 1.280 121.137 119.914 -0.095 0.000 2.307 38 V HA -0.236 3.880 4.120 -0.008 0.000 0.245 38 V C 2.439 178.525 176.094 -0.015 0.000 1.045 38 V CA 1.677 63.931 62.300 -0.076 0.000 1.024 38 V CB -0.400 31.371 31.823 -0.086 0.000 0.651 38 V HN 0.331 nan 8.190 nan 0.000 0.449 39 L N -0.491 120.725 121.223 -0.011 0.000 2.012 39 L HA -0.185 4.150 4.340 -0.008 0.000 0.210 39 L C 2.470 179.359 176.870 0.032 0.000 1.073 39 L CA 1.345 56.187 54.840 0.003 0.000 0.748 39 L CB -0.622 41.437 42.059 -0.001 0.000 0.891 39 L HN 0.198 nan 8.230 nan 0.000 0.431 40 V N -0.814 119.130 119.914 0.050 0.000 2.223 40 V HA -0.334 3.781 4.120 -0.008 0.000 0.244 40 V C 2.375 178.512 176.094 0.070 0.000 1.045 40 V CA 2.036 64.369 62.300 0.055 0.000 1.000 40 V CB -0.779 31.084 31.823 0.067 0.000 0.635 40 V HN 0.411 nan 8.190 nan 0.000 0.445 41 H N -0.202 118.848 119.070 -0.033 0.000 2.390 41 H HA -0.180 4.371 4.556 -0.008 0.000 0.298 41 H C 2.342 177.694 175.328 0.041 0.000 1.106 41 H CA 2.083 58.120 56.048 -0.017 0.000 1.297 41 H CB -0.213 29.509 29.762 -0.068 0.000 1.375 41 H HN 0.222 nan 8.280 nan 0.000 0.509 42 R N 0.936 121.506 120.500 0.117 0.000 2.073 42 R HA -0.070 4.265 4.340 -0.008 0.000 0.234 42 R C 2.086 178.474 176.300 0.147 0.000 1.134 42 R CA 1.473 57.621 56.100 0.081 0.000 0.952 42 R CB -0.876 29.430 30.300 0.011 0.000 0.850 42 R HN 0.389 nan 8.270 nan 0.000 0.433 43 I N 0.384 121.013 120.570 0.099 0.000 2.179 43 I HA -0.242 3.923 4.170 -0.008 0.000 0.242 43 I C 2.259 178.438 176.117 0.103 0.000 1.088 43 I CA 1.479 62.833 61.300 0.090 0.000 1.357 43 I CB -0.474 37.559 38.000 0.054 0.000 1.051 43 I HN 0.334 nan 8.210 nan 0.000 0.409 44 A N 0.293 123.164 122.820 0.084 0.000 2.015 44 A HA -0.239 4.077 4.320 -0.008 0.000 0.219 44 A C 2.221 179.884 177.584 0.132 0.000 1.163 44 A CA 1.010 53.088 52.037 0.068 0.000 0.646 44 A CB -0.897 18.102 19.000 -0.002 0.000 0.806 44 A HN 0.733 nan 8.150 nan 0.000 0.448 45 W N 0.581 121.877 121.300 -0.007 0.000 2.409 45 W HA -0.090 4.565 4.660 -0.008 0.000 0.299 45 W C 1.531 178.059 176.519 0.015 0.000 1.203 45 W CA 1.360 58.711 57.345 0.010 0.000 1.298 45 W CB -0.407 29.062 29.460 0.016 0.000 1.127 45 W HN 0.297 nan 8.180 nan 0.000 0.528 46 L N 0.409 121.804 121.223 0.287 0.000 2.127 46 L HA -0.287 4.048 4.340 -0.008 0.000 0.211 46 L C 2.608 179.505 176.870 0.045 0.000 1.089 46 L CA 1.415 56.355 54.840 0.167 0.000 0.757 46 L CB -0.607 41.541 42.059 0.149 0.000 0.899 46 L HN 0.001 nan 8.230 nan 0.000 0.434 47 M N -1.641 117.980 119.600 0.034 0.000 2.216 47 M HA -0.098 4.377 4.480 -0.008 0.000 0.264 47 M C 2.420 178.690 176.300 -0.050 0.000 1.080 47 M CA 1.323 56.625 55.300 0.004 0.000 1.153 47 M CB -0.122 32.492 32.600 0.023 0.000 1.356 47 M HN 0.097 nan 8.290 nan 0.000 0.432 48 S N 0.119 115.767 115.700 -0.088 0.000 2.362 48 S HA -0.042 4.423 4.470 -0.008 0.000 0.221 48 S C 1.959 176.405 174.600 -0.257 0.000 1.032 48 S CA 0.992 59.108 58.200 -0.141 0.000 0.973 48 S CB -0.150 62.982 63.200 -0.114 0.000 0.849 48 S HN 0.188 nan 8.310 nan 0.000 0.465 49 V N 1.797 121.427 119.914 -0.474 0.000 2.341 49 V HA 0.051 4.167 4.120 -0.008 0.000 0.240 49 V C 2.043 177.930 176.094 -0.345 0.000 1.035 49 V CA 1.085 63.011 62.300 -0.624 0.000 1.033 49 V CB -0.407 30.519 31.823 -1.495 0.000 0.678 49 V HN 0.323 nan 8.190 nan 0.000 0.464 50 E N 0.085 120.137 120.200 -0.247 0.000 2.502 50 E HA 0.000 4.346 4.350 -0.008 0.000 0.194 50 E C 0.251 176.817 176.600 -0.056 0.000 1.062 50 E CA -0.156 56.200 56.400 -0.073 0.000 0.867 50 E CB -0.377 29.344 29.700 0.035 0.000 0.888 50 E HN 0.493 nan 8.360 nan 0.000 0.510 51 N N 0.761 119.410 118.700 -0.085 0.000 2.688 51 N HA -0.177 4.559 4.740 -0.008 0.000 0.258 51 N C -0.890 174.609 175.510 -0.019 0.000 1.016 51 N CA 0.484 53.502 53.050 -0.053 0.000 0.747 51 N CB -1.358 37.097 38.487 -0.054 0.000 0.895 51 N HN 0.144 nan 8.380 nan 0.000 0.543 52 C N 0.311 119.611 119.300 0.001 0.000 2.364 52 C HA 0.440 4.896 4.460 -0.008 0.000 0.356 52 C C 1.284 176.299 174.990 0.042 0.000 1.201 52 C CA -0.605 58.426 59.018 0.023 0.000 2.227 52 C CB 1.546 29.311 27.740 0.042 0.000 2.387 52 C HN 0.536 nan 8.230 nan 0.000 0.546 53 S N 2.940 118.675 115.700 0.058 0.000 2.528 53 S HA 0.218 4.683 4.470 -0.008 0.000 0.277 53 S C -0.852 173.836 174.600 0.147 0.000 1.297 53 S CA -0.997 57.271 58.200 0.112 0.000 1.052 53 S CB 0.783 64.059 63.200 0.127 0.000 0.917 53 S HN 0.674 nan 8.310 nan 0.000 0.492 54 P HA -0.177 nan 4.420 nan 0.000 0.218 54 P C 0.493 177.841 177.300 0.080 0.000 1.146 54 P CA 1.498 64.638 63.100 0.066 0.000 0.820 54 P CB -0.153 31.535 31.700 -0.020 0.000 0.778 55 Y N 0.792 121.142 120.300 0.083 0.000 2.616 55 Y HA -0.046 4.500 4.550 -0.007 0.000 0.296 55 Y C 2.546 178.436 175.900 -0.017 0.000 1.154 55 Y CA 1.325 59.463 58.100 0.062 0.000 1.325 55 Y CB -0.816 37.623 38.460 -0.035 0.000 1.007 55 Y HN 0.144 nan 8.280 nan 0.000 0.542 56 S N -1.103 114.699 115.700 0.169 0.000 2.556 56 S HA 0.224 4.689 4.470 -0.008 0.000 0.216 56 S C 0.241 175.003 174.600 0.271 0.000 0.970 56 S CA -0.220 58.050 58.200 0.117 0.000 0.912 56 S CB -0.490 62.744 63.200 0.056 0.000 0.790 56 S HN 0.208 nan 8.310 nan 0.000 0.504 57 I N 2.085 122.837 120.570 0.303 0.000 2.377 57 I HA 0.477 4.642 4.170 -0.008 0.000 0.293 57 I C -0.369 175.862 176.117 0.189 0.000 0.987 57 I CA -0.538 60.897 61.300 0.226 0.000 1.185 57 I CB 1.914 39.995 38.000 0.136 0.000 1.341 57 I HN 0.232 nan 8.210 nan 0.000 0.455 58 M N 6.729 126.352 119.600 0.038 0.000 2.060 58 M HA 0.609 5.085 4.480 -0.008 0.000 0.275 58 M C -1.466 174.803 176.300 -0.052 0.000 0.919 58 M CA -0.427 54.800 55.300 -0.122 0.000 0.970 58 M CB 1.256 33.575 32.600 -0.467 0.000 1.670 58 M HN 0.654 nan 8.290 nan 0.000 0.440 59 A N 4.552 127.359 122.820 -0.021 0.000 2.274 59 A HA 0.747 5.062 4.320 -0.008 0.000 0.309 59 A C -0.998 176.533 177.584 -0.088 0.000 1.226 59 A CA -0.535 51.478 52.037 -0.040 0.000 0.853 59 A CB 0.926 19.917 19.000 -0.016 0.000 1.146 59 A HN 0.624 nan 8.150 nan 0.000 0.518 60 V N 2.793 122.612 119.914 -0.158 0.000 2.540 60 V HA 0.692 4.807 4.120 -0.008 0.000 0.302 60 V C 0.558 176.439 176.094 -0.354 0.000 1.035 60 V CA 0.060 62.153 62.300 -0.345 0.000 0.873 60 V CB 1.716 33.181 31.823 -0.597 0.000 0.992 60 V HN 1.183 nan 8.190 nan 0.000 0.428 61 T N 0.220 114.564 114.554 -0.350 0.000 2.676 61 T HA 0.637 4.982 4.350 -0.008 0.000 0.269 61 T C 0.211 174.764 174.700 -0.246 0.000 0.952 61 T CA -0.284 61.727 62.100 -0.147 0.000 1.040 61 T CB 1.500 70.365 68.868 -0.005 0.000 1.352 61 T HN 0.147 nan 8.240 nan 0.000 0.554 62 F N 0.705 120.663 119.950 0.014 0.000 2.592 62 F HA 0.296 4.819 4.527 -0.008 0.000 0.280 62 F C 1.668 177.469 175.800 0.001 0.000 1.083 62 F CA 0.250 58.289 58.000 0.065 0.000 1.365 62 F CB 0.089 39.121 39.000 0.052 0.000 1.100 62 F HN 0.827 nan 8.300 nan 0.000 0.633 63 T N -1.947 112.709 114.554 0.170 0.000 2.944 63 T HA 0.270 4.615 4.350 -0.008 0.000 0.284 63 T C 0.804 175.523 174.700 0.032 0.000 1.010 63 T CA -0.699 61.440 62.100 0.065 0.000 1.025 63 T CB 1.367 70.264 68.868 0.049 0.000 1.079 63 T HN -0.080 nan 8.240 nan 0.000 0.516 64 N N 0.525 119.231 118.700 0.009 0.000 2.216 64 N HA -0.057 4.679 4.740 -0.008 0.000 0.183 64 N C 1.713 177.235 175.510 0.020 0.000 1.017 64 N CA 0.762 53.816 53.050 0.008 0.000 0.861 64 N CB -0.293 38.196 38.487 0.004 0.000 0.986 64 N HN 0.697 nan 8.380 nan 0.000 0.428 65 K N 1.284 121.698 120.400 0.023 0.000 2.015 65 K HA -0.166 4.150 4.320 -0.008 0.000 0.216 65 K C 2.006 178.620 176.600 0.023 0.000 1.052 65 K CA 1.679 57.979 56.287 0.023 0.000 0.937 65 K CB -0.149 32.364 32.500 0.022 0.000 0.719 65 K HN 0.082 nan 8.250 nan 0.000 0.446 66 A N 1.006 123.843 122.820 0.029 0.000 1.859 66 A HA -0.220 4.096 4.320 -0.008 0.000 0.217 66 A C 2.386 179.986 177.584 0.025 0.000 1.198 66 A CA 2.540 54.597 52.037 0.033 0.000 0.629 66 A CB -1.267 17.766 19.000 0.055 0.000 0.830 66 A HN 0.557 nan 8.150 nan 0.000 0.446 67 A N -0.460 122.369 122.820 0.016 0.000 1.927 67 A HA 0.012 4.327 4.320 -0.008 0.000 0.220 67 A C 2.519 180.113 177.584 0.017 0.000 1.185 67 A CA 2.808 54.846 52.037 0.002 0.000 0.639 67 A CB -1.120 17.872 19.000 -0.014 0.000 0.820 67 A HN 1.215 nan 8.150 nan 0.000 0.451 68 A N -0.632 122.204 122.820 0.025 0.000 1.841 68 A HA -0.146 4.169 4.320 -0.008 0.000 0.214 68 A C 2.043 179.667 177.584 0.066 0.000 1.195 68 A CA 1.736 53.796 52.037 0.039 0.000 0.611 68 A CB -0.703 18.314 19.000 0.029 0.000 0.835 68 A HN 0.672 nan 8.150 nan 0.000 0.443 69 E N -0.733 119.500 120.200 0.054 0.000 2.086 69 E HA -0.299 4.046 4.350 -0.008 0.000 0.200 69 E C 2.012 178.664 176.600 0.087 0.000 1.012 69 E CA 1.850 58.297 56.400 0.078 0.000 0.812 69 E CB -0.230 29.495 29.700 0.042 0.000 0.743 69 E HN 0.633 nan 8.360 nan 0.000 0.453 70 M N -0.005 119.625 119.600 0.050 0.000 2.132 70 M HA -0.148 4.327 4.480 -0.008 0.000 0.263 70 M C 2.541 178.858 176.300 0.029 0.000 1.065 70 M CA 1.402 56.721 55.300 0.031 0.000 1.122 70 M CB -0.021 32.589 32.600 0.017 0.000 1.365 70 M HN -0.002 nan 8.290 nan 0.000 0.411 71 R N -1.326 119.198 120.500 0.040 0.000 2.120 71 R HA -0.224 4.111 4.340 -0.008 0.000 0.234 71 R C 2.186 178.514 176.300 0.046 0.000 1.123 71 R CA 1.963 58.084 56.100 0.034 0.000 0.975 71 R CB -0.315 30.005 30.300 0.033 0.000 0.866 71 R HN 0.497 nan 8.270 nan 0.000 0.446 72 H N 0.439 119.507 119.070 -0.003 0.000 2.276 72 H HA -0.017 4.535 4.556 -0.008 0.000 0.301 72 H C 1.881 177.209 175.328 0.001 0.000 1.073 72 H CA 2.034 58.081 56.048 -0.003 0.000 1.311 72 H CB 0.038 29.797 29.762 -0.005 0.000 1.379 72 H HN 0.064 nan 8.280 nan 0.000 0.494 73 R N -0.079 120.300 120.500 -0.201 0.000 2.127 73 R HA -0.092 4.244 4.340 -0.008 0.000 0.238 73 R C 2.553 178.762 176.300 -0.152 0.000 1.134 73 R CA 1.570 57.546 56.100 -0.206 0.000 0.975 73 R CB -0.309 29.961 30.300 -0.050 0.000 0.865 73 R HN 0.411 nan 8.270 nan 0.000 0.447 74 I N 0.163 120.677 120.570 -0.093 0.000 2.286 74 I HA -0.195 3.970 4.170 -0.008 0.000 0.248 74 I C 2.540 178.611 176.117 -0.076 0.000 1.115 74 I CA 1.466 62.730 61.300 -0.061 0.000 1.392 74 I CB -0.682 37.303 38.000 -0.026 0.000 1.065 74 I HN 0.323 nan 8.210 nan 0.000 0.418 75 G N -0.121 108.616 108.800 -0.105 0.000 2.421 75 G HA2 -0.247 3.709 3.960 -0.008 0.000 0.216 75 G HA3 -0.247 3.709 3.960 -0.008 0.000 0.216 75 G C 1.580 176.423 174.900 -0.095 0.000 1.171 75 G CA 0.365 45.411 45.100 -0.090 0.000 0.775 75 G HN 0.373 nan 8.290 nan 0.000 0.543 76 Q N -0.772 118.929 119.800 -0.166 0.000 2.119 76 Q HA 0.003 4.339 4.340 -0.008 0.000 0.201 76 Q C 2.472 178.448 176.000 -0.039 0.000 0.972 76 Q CA 0.852 56.590 55.803 -0.108 0.000 0.847 76 Q CB -0.188 28.455 28.738 -0.159 0.000 0.903 76 Q HN 0.415 nan 8.270 nan 0.000 0.433 77 L N -0.145 121.044 121.223 -0.056 0.000 2.201 77 L HA -0.047 4.288 4.340 -0.008 0.000 0.212 77 L C 0.874 177.781 176.870 0.062 0.000 1.105 77 L CA 1.258 56.082 54.840 -0.026 0.000 0.775 77 L CB 0.002 41.966 42.059 -0.159 0.000 0.913 77 L HN 0.084 nan 8.230 nan 0.000 0.440 78 M N -1.874 117.732 119.600 0.010 0.000 2.531 78 M HA 0.305 4.781 4.480 -0.008 0.000 0.262 78 M C 1.571 177.873 176.300 0.004 0.000 1.168 78 M CA 0.370 55.682 55.300 0.020 0.000 0.926 78 M CB -0.005 32.594 32.600 -0.002 0.000 1.445 78 M HN 0.054 nan 8.290 nan 0.000 0.531 79 G N -0.470 108.326 108.800 -0.007 0.000 2.662 79 G HA2 0.210 4.165 3.960 -0.008 0.000 0.215 79 G HA3 0.210 4.165 3.960 -0.008 0.000 0.215 79 G C 0.640 175.532 174.900 -0.013 0.000 1.310 79 G CA 1.364 46.454 45.100 -0.017 0.000 0.849 79 G HN 0.814 nan 8.290 nan 0.000 0.568 80 T N -1.473 113.075 114.554 -0.009 0.000 2.765 80 T HA 0.655 5.001 4.350 -0.008 0.000 0.251 80 T C 2.187 176.883 174.700 -0.007 0.000 1.027 80 T CA 1.185 63.281 62.100 -0.006 0.000 1.030 80 T CB -0.559 68.308 68.868 -0.002 0.000 1.935 80 T HN 0.602 nan 8.240 nan 0.000 0.563 81 S N -0.625 115.073 115.700 -0.003 0.000 2.378 81 S HA -0.099 4.366 4.470 -0.008 0.000 0.229 81 S C 1.463 176.057 174.600 -0.009 0.000 1.052 81 S CA 3.089 61.286 58.200 -0.004 0.000 1.084 81 S CB -0.534 62.665 63.200 -0.001 0.000 0.950 81 S HN 1.166 nan 8.310 nan 0.000 0.440 82 Q N -0.690 119.104 119.800 -0.010 0.000 2.479 82 Q HA -0.079 4.256 4.340 -0.008 0.000 0.282 82 Q C 0.326 176.300 176.000 -0.044 0.000 1.279 82 Q CA 0.893 56.685 55.803 -0.017 0.000 0.815 82 Q CB -2.267 26.465 28.738 -0.011 0.000 1.204 82 Q HN 1.008 nan 8.270 nan 0.000 0.444 83 G N -1.016 107.752 108.800 -0.053 0.000 2.699 83 G HA2 0.431 4.386 3.960 -0.008 0.000 0.246 83 G HA3 0.431 4.386 3.960 -0.008 0.000 0.246 83 G C 1.165 175.889 174.900 -0.294 0.000 1.219 83 G CA 0.376 45.419 45.100 -0.094 0.000 0.866 83 G HN 1.377 nan 8.290 nan 0.000 0.572 84 G N -0.915 107.656 108.800 -0.381 0.000 2.213 84 G HA2 -0.240 3.715 3.960 -0.008 0.000 0.236 84 G HA3 -0.240 3.715 3.960 -0.008 0.000 0.236 84 G C 0.468 175.174 174.900 -0.323 0.000 0.991 84 G CA 0.574 45.042 45.100 -1.054 0.000 0.629 84 G HN 1.007 nan 8.290 nan 0.000 0.517 85 M N 1.112 120.690 119.600 -0.037 0.000 2.088 85 M HA 0.590 5.066 4.480 -0.008 0.000 0.346 85 M C -0.711 175.788 176.300 0.332 0.000 1.111 85 M CA -1.031 54.374 55.300 0.174 0.000 1.017 85 M CB 0.320 32.962 32.600 0.070 0.000 1.568 85 M HN 0.105 nan 8.290 nan 0.000 0.445 86 W N 5.437 126.779 121.300 0.070 0.000 2.419 86 W HA 0.405 5.062 4.660 -0.006 0.000 0.312 86 W C -0.836 175.635 176.519 -0.080 0.000 1.323 86 W CA -0.342 56.985 57.345 -0.029 0.000 1.293 86 W CB 0.258 29.607 29.460 -0.184 0.000 1.324 86 W HN 0.304 nan 8.180 nan 0.000 0.512 87 V N 4.213 124.178 119.914 0.084 0.000 2.531 87 V HA 0.955 5.071 4.120 -0.008 0.000 0.301 87 V C 0.363 176.435 176.094 -0.037 0.000 1.034 87 V CA -0.502 61.807 62.300 0.016 0.000 0.865 87 V CB 1.211 33.041 31.823 0.011 0.000 0.995 87 V HN 0.683 nan 8.190 nan 0.000 0.424 88 G N 3.089 111.849 108.800 -0.066 0.000 2.335 88 G HA2 0.563 4.518 3.960 -0.008 0.000 0.291 88 G HA3 0.563 4.518 3.960 -0.008 0.000 0.291 88 G C -0.602 174.202 174.900 -0.160 0.000 1.261 88 G CA 0.170 45.213 45.100 -0.095 0.000 0.871 88 G HN 0.827 nan 8.290 nan 0.000 0.491 89 T N -1.805 112.654 114.554 -0.159 0.000 2.952 89 T HA 0.606 4.951 4.350 -0.008 0.000 0.286 89 T C 1.005 175.537 174.700 -0.280 0.000 1.024 89 T CA -0.398 61.565 62.100 -0.228 0.000 1.029 89 T CB 1.498 70.325 68.868 -0.070 0.000 1.094 89 T HN 0.293 nan 8.240 nan 0.000 0.515 90 F N 0.520 120.254 119.950 -0.359 0.000 2.043 90 F HA -0.201 4.321 4.527 -0.008 0.000 0.297 90 F C 2.958 178.428 175.800 -0.550 0.000 1.118 90 F CA 2.031 59.689 58.000 -0.570 0.000 1.202 90 F CB -0.620 37.951 39.000 -0.714 0.000 0.965 90 F HN 0.704 nan 8.300 nan 0.000 0.482 91 H N -0.703 118.325 119.070 -0.070 0.000 2.352 91 H HA -0.111 4.440 4.556 -0.008 0.000 0.299 91 H C 2.511 177.818 175.328 -0.035 0.000 1.097 91 H CA 1.357 57.369 56.048 -0.059 0.000 1.311 91 H CB -1.126 28.612 29.762 -0.040 0.000 1.377 91 H HN 0.399 nan 8.280 nan 0.000 0.504 92 G N 1.091 109.923 108.800 0.053 0.000 2.421 92 G HA2 -0.175 3.780 3.960 -0.008 0.000 0.216 92 G HA3 -0.175 3.780 3.960 -0.008 0.000 0.216 92 G C 1.934 176.829 174.900 -0.008 0.000 1.171 92 G CA 0.528 45.639 45.100 0.018 0.000 0.775 92 G HN 0.235 nan 8.290 nan 0.000 0.543 93 L N 0.511 121.689 121.223 -0.076 0.000 2.109 93 L HA 0.027 4.362 4.340 -0.008 0.000 0.207 93 L C 3.395 180.253 176.870 -0.019 0.000 1.086 93 L CA 0.807 55.626 54.840 -0.035 0.000 0.760 93 L CB -0.402 41.703 42.059 0.077 0.000 0.910 93 L HN 0.318 nan 8.230 nan 0.000 0.437 94 A N -0.564 122.156 122.820 -0.168 0.000 1.877 94 A HA -0.281 4.035 4.320 -0.008 0.000 0.216 94 A C 2.304 179.864 177.584 -0.040 0.000 1.186 94 A CA 1.706 53.615 52.037 -0.214 0.000 0.620 94 A CB -0.980 17.806 19.000 -0.358 0.000 0.822 94 A HN 0.519 nan 8.150 nan 0.000 0.443 95 H N -0.198 118.856 119.070 -0.027 0.000 2.387 95 H HA -0.119 4.432 4.556 -0.008 0.000 0.299 95 H C 2.251 177.622 175.328 0.071 0.000 1.099 95 H CA 1.805 57.899 56.048 0.077 0.000 1.315 95 H CB -0.190 29.624 29.762 0.087 0.000 1.380 95 H HN 0.500 nan 8.280 nan 0.000 0.513 96 R N 0.239 120.693 120.500 -0.076 0.000 2.073 96 R HA -0.112 4.223 4.340 -0.008 0.000 0.234 96 R C 2.748 178.992 176.300 -0.094 0.000 1.134 96 R CA 1.418 57.417 56.100 -0.168 0.000 0.952 96 R CB -0.126 29.988 30.300 -0.309 0.000 0.850 96 R HN 0.302 nan 8.270 nan 0.000 0.433 97 L N 0.666 121.898 121.223 0.015 0.000 2.017 97 L HA -0.194 4.141 4.340 -0.008 0.000 0.208 97 L C 2.397 179.255 176.870 -0.020 0.000 1.073 97 L CA 1.257 56.126 54.840 0.049 0.000 0.745 97 L CB -0.350 41.718 42.059 0.015 0.000 0.894 97 L HN 0.239 nan 8.230 nan 0.000 0.432 98 L N -0.912 120.286 121.223 -0.042 0.000 2.265 98 L HA -0.171 4.165 4.340 -0.008 0.000 0.215 98 L C 2.743 179.681 176.870 0.115 0.000 1.117 98 L CA 0.654 55.480 54.840 -0.023 0.000 0.782 98 L CB -0.500 41.467 42.059 -0.154 0.000 0.914 98 L HN 0.270 nan 8.230 nan 0.000 0.441 99 R N 0.047 120.570 120.500 0.038 0.000 2.080 99 R HA 0.055 4.391 4.340 -0.008 0.000 0.222 99 R C 2.335 178.688 176.300 0.088 0.000 1.107 99 R CA 1.274 57.418 56.100 0.073 0.000 0.980 99 R CB -0.706 29.510 30.300 -0.141 0.000 0.879 99 R HN 0.274 nan 8.270 nan 0.000 0.439 100 A N 1.037 123.824 122.820 -0.056 0.000 2.015 100 A HA -0.122 4.194 4.320 -0.008 0.000 0.219 100 A C 0.681 178.135 177.584 -0.216 0.000 1.163 100 A CA 1.217 53.143 52.037 -0.185 0.000 0.646 100 A CB -0.245 18.532 19.000 -0.371 0.000 0.806 100 A HN 0.309 nan 8.150 nan 0.000 0.448 101 H N -1.390 117.793 119.070 0.189 0.000 2.637 101 H HA 0.106 4.658 4.556 -0.007 0.000 0.245 101 H C 1.182 176.533 175.328 0.039 0.000 1.190 101 H CA 0.139 56.254 56.048 0.111 0.000 0.934 101 H CB -0.641 29.192 29.762 0.118 0.000 1.950 101 H HN 0.825 nan 8.280 nan 0.000 0.614 102 H N -0.366 118.788 119.070 0.140 0.000 2.390 102 H HA -0.149 4.402 4.556 -0.008 0.000 0.298 102 H C 1.625 177.004 175.328 0.085 0.000 1.106 102 H CA 1.270 57.378 56.048 0.101 0.000 1.297 102 H CB 0.016 29.884 29.762 0.177 0.000 1.375 102 H HN 0.175 nan 8.280 nan 0.000 0.509 103 M N 1.379 120.514 119.600 -0.777 0.000 2.132 103 M HA -0.103 4.372 4.480 -0.008 0.000 0.263 103 M C 1.512 177.733 176.300 -0.132 0.000 1.065 103 M CA 1.533 56.569 55.300 -0.441 0.000 1.122 103 M CB -0.313 32.042 32.600 -0.409 0.000 1.365 103 M HN 0.122 nan 8.290 nan 0.000 0.411 104 D N -0.605 119.762 120.400 -0.056 0.000 2.348 104 D HA 0.074 4.709 4.640 -0.008 0.000 0.216 104 D C 1.240 177.553 176.300 0.021 0.000 0.970 104 D CA 1.060 55.070 54.000 0.016 0.000 0.889 104 D CB 0.134 40.966 40.800 0.053 0.000 0.912 104 D HN 0.425 nan 8.370 nan 0.000 0.524 105 A N 0.419 123.242 122.820 0.006 0.000 2.308 105 A HA 0.063 4.379 4.320 -0.008 0.000 0.217 105 A C 0.945 178.513 177.584 -0.026 0.000 1.216 105 A CA 0.223 52.256 52.037 -0.008 0.000 0.864 105 A CB -0.199 18.783 19.000 -0.029 0.000 0.902 105 A HN 0.184 nan 8.150 nan 0.000 0.499 106 N N -1.635 117.055 118.700 -0.015 0.000 2.776 106 N HA -0.140 4.595 4.740 -0.008 0.000 0.250 106 N C -0.703 174.805 175.510 -0.003 0.000 1.112 106 N CA 0.825 53.871 53.050 -0.006 0.000 0.733 106 N CB -1.843 36.642 38.487 -0.005 0.000 1.097 106 N HN 0.455 nan 8.380 nan 0.000 0.558 107 L N 0.050 121.283 121.223 0.017 0.000 2.342 107 L HA 0.687 5.022 4.340 -0.008 0.000 0.271 107 L C -1.905 175.119 176.870 0.257 0.000 1.008 107 L CA -1.897 52.973 54.840 0.050 0.000 0.818 107 L CB 1.854 43.823 42.059 -0.150 0.000 1.296 107 L HN -0.040 nan 8.230 nan 0.000 0.427 108 P HA 0.070 nan 4.420 nan 0.000 0.276 108 P C -0.149 177.278 177.300 0.212 0.000 1.244 108 P CA -0.407 62.852 63.100 0.265 0.000 0.801 108 P CB 1.336 33.122 31.700 0.144 0.000 1.006 109 Q N 1.945 121.737 119.800 -0.015 0.000 2.028 109 Q HA -0.248 4.087 4.340 -0.008 0.000 0.215 109 Q C 0.169 176.001 176.000 -0.281 0.000 1.041 109 Q CA 2.370 57.913 55.803 -0.433 0.000 0.897 109 Q CB -0.859 27.777 28.738 -0.169 0.000 1.017 109 Q HN 0.418 nan 8.270 nan 0.000 0.418 110 D N 0.443 120.759 120.400 -0.140 0.000 3.133 110 D HA 0.162 4.798 4.640 -0.008 0.000 0.288 110 D C -0.566 175.632 176.300 -0.171 0.000 1.346 110 D CA -0.286 53.597 54.000 -0.195 0.000 0.934 110 D CB -0.737 39.975 40.800 -0.146 0.000 1.042 110 D HN 0.308 nan 8.370 nan 0.000 0.506 111 F N 0.525 120.453 119.950 -0.037 0.000 2.589 111 F HA 0.286 4.808 4.527 -0.008 0.000 0.352 111 F C 0.569 176.365 175.800 -0.006 0.000 1.168 111 F CA -0.795 57.197 58.000 -0.014 0.000 1.353 111 F CB 0.459 39.462 39.000 0.005 0.000 1.116 111 F HN -0.145 nan 8.300 nan 0.000 0.608 112 Q N 2.970 122.797 119.800 0.045 0.000 2.306 112 Q HA 0.587 4.922 4.340 -0.008 0.000 0.265 112 Q C -1.229 174.807 176.000 0.059 0.000 1.022 112 Q CA -0.656 55.121 55.803 -0.043 0.000 0.853 112 Q CB 1.486 30.198 28.738 -0.044 0.000 1.327 112 Q HN 0.768 nan 8.270 nan 0.000 0.449 113 I N 2.938 123.497 120.570 -0.019 0.000 2.499 113 I HA 0.242 4.407 4.170 -0.008 0.000 0.296 113 I C -0.574 175.448 176.117 -0.158 0.000 0.992 113 I CA -0.984 60.287 61.300 -0.048 0.000 1.297 113 I CB 0.961 38.914 38.000 -0.078 0.000 1.410 113 I HN 0.520 nan 8.210 nan 0.000 0.507 114 L N 5.557 126.627 121.223 -0.255 0.000 2.280 114 L HA 0.274 4.609 4.340 -0.008 0.000 0.287 114 L C -0.264 176.279 176.870 -0.545 0.000 1.023 114 L CA -0.366 54.311 54.840 -0.272 0.000 0.819 114 L CB 0.851 42.826 42.059 -0.140 0.000 1.212 114 L HN 0.540 nan 8.230 nan 0.000 0.420 115 D N 1.386 121.570 120.400 -0.359 0.000 2.354 115 D HA 0.170 4.805 4.640 -0.008 0.000 0.247 115 D C 0.969 177.226 176.300 -0.072 0.000 1.138 115 D CA -0.432 53.410 54.000 -0.263 0.000 0.958 115 D CB 0.799 41.607 40.800 0.014 0.000 1.144 115 D HN 0.351 nan 8.370 nan 0.000 0.458 116 S N 0.128 115.899 115.700 0.118 0.000 2.401 116 S HA -0.339 4.126 4.470 -0.008 0.000 0.236 116 S C 1.523 176.157 174.600 0.056 0.000 1.058 116 S CA 1.962 60.224 58.200 0.103 0.000 1.151 116 S CB -0.540 62.744 63.200 0.139 0.000 1.049 116 S HN 0.765 nan 8.310 nan 0.000 0.432 117 E N 0.760 120.994 120.200 0.058 0.000 2.035 117 E HA -0.270 4.075 4.350 -0.008 0.000 0.204 117 E C 1.730 178.355 176.600 0.041 0.000 1.025 117 E CA 1.791 58.219 56.400 0.047 0.000 0.835 117 E CB -0.256 29.470 29.700 0.043 0.000 0.764 117 E HN 0.350 nan 8.360 nan 0.000 0.457 118 D N 0.007 120.422 120.400 0.026 0.000 2.154 118 D HA -0.271 4.364 4.640 -0.008 0.000 0.190 118 D C 1.948 178.282 176.300 0.056 0.000 1.003 118 D CA 1.708 55.725 54.000 0.029 0.000 0.849 118 D CB -0.528 40.269 40.800 -0.004 0.000 0.942 118 D HN 0.373 nan 8.370 nan 0.000 0.446 119 Q N -0.231 119.598 119.800 0.048 0.000 2.050 119 Q HA -0.176 4.159 4.340 -0.008 0.000 0.202 119 Q C 2.284 178.331 176.000 0.079 0.000 0.980 119 Q CA 1.003 56.865 55.803 0.098 0.000 0.840 119 Q CB -0.266 28.498 28.738 0.044 0.000 0.898 119 Q HN 0.194 nan 8.270 nan 0.000 0.424 120 L N 1.205 122.457 121.223 0.049 0.000 2.013 120 L HA -0.217 4.118 4.340 -0.008 0.000 0.212 120 L C 2.315 179.227 176.870 0.069 0.000 1.073 120 L CA 1.925 56.794 54.840 0.048 0.000 0.753 120 L CB -0.538 41.550 42.059 0.049 0.000 0.890 120 L HN 0.192 nan 8.230 nan 0.000 0.432 121 R N -1.091 119.452 120.500 0.072 0.000 2.096 121 R HA -0.172 4.163 4.340 -0.008 0.000 0.235 121 R C 2.235 178.593 176.300 0.097 0.000 1.127 121 R CA 1.565 57.711 56.100 0.077 0.000 0.968 121 R CB -0.715 29.625 30.300 0.067 0.000 0.861 121 R HN 0.328 nan 8.270 nan 0.000 0.440 122 L N 1.092 122.389 121.223 0.124 0.000 2.083 122 L HA -0.144 4.191 4.340 -0.008 0.000 0.209 122 L C 2.120 179.103 176.870 0.188 0.000 1.083 122 L CA 1.460 56.397 54.840 0.162 0.000 0.752 122 L CB -0.196 41.997 42.059 0.223 0.000 0.899 122 L HN 0.135 nan 8.230 nan 0.000 0.433 123 L N -0.674 120.651 121.223 0.171 0.000 2.027 123 L HA -0.244 4.091 4.340 -0.008 0.000 0.206 123 L C 2.648 179.599 176.870 0.135 0.000 1.074 123 L CA 1.587 56.516 54.840 0.149 0.000 0.745 123 L CB -0.717 41.382 42.059 0.067 0.000 0.898 123 L HN 0.308 nan 8.230 nan 0.000 0.433 124 K N 0.913 121.382 120.400 0.114 0.000 2.044 124 K HA -0.285 4.031 4.320 -0.008 0.000 0.210 124 K C 2.308 178.963 176.600 0.093 0.000 1.049 124 K CA 2.043 58.392 56.287 0.103 0.000 0.927 124 K CB -0.155 32.397 32.500 0.086 0.000 0.713 124 K HN 0.179 nan 8.250 nan 0.000 0.443 125 R N 0.717 121.272 120.500 0.091 0.000 2.096 125 R HA -0.096 4.239 4.340 -0.008 0.000 0.235 125 R C 2.369 178.714 176.300 0.074 0.000 1.127 125 R CA 1.341 57.487 56.100 0.077 0.000 0.968 125 R CB -0.234 30.113 30.300 0.078 0.000 0.861 125 R HN 0.250 nan 8.270 nan 0.000 0.440 126 L N 0.276 121.557 121.223 0.096 0.000 2.109 126 L HA -0.070 4.265 4.340 -0.008 0.000 0.207 126 L C 2.433 179.342 176.870 0.065 0.000 1.086 126 L CA 0.886 55.780 54.840 0.089 0.000 0.760 126 L CB -0.307 41.834 42.059 0.137 0.000 0.910 126 L HN 0.218 nan 8.230 nan 0.000 0.437 127 I N -0.082 120.536 120.570 0.080 0.000 2.286 127 I HA -0.278 3.887 4.170 -0.008 0.000 0.248 127 I C 2.538 178.667 176.117 0.020 0.000 1.115 127 I CA 1.393 62.723 61.300 0.049 0.000 1.392 127 I CB -0.264 37.802 38.000 0.109 0.000 1.065 127 I HN 0.207 nan 8.210 nan 0.000 0.418 128 K N 0.939 121.364 120.400 0.043 0.000 2.031 128 K HA -0.043 4.272 4.320 -0.008 0.000 0.205 128 K C 2.144 178.753 176.600 0.014 0.000 1.049 128 K CA 1.368 57.674 56.287 0.032 0.000 0.939 128 K CB -0.240 32.285 32.500 0.042 0.000 0.717 128 K HN 0.261 nan 8.250 nan 0.000 0.438 129 A N 0.919 123.750 122.820 0.018 0.000 2.216 129 A HA -0.067 4.248 4.320 -0.008 0.000 0.214 129 A C 2.106 179.686 177.584 -0.008 0.000 1.160 129 A CA 1.708 53.750 52.037 0.009 0.000 0.725 129 A CB -0.691 18.319 19.000 0.017 0.000 0.784 129 A HN 0.344 nan 8.150 nan 0.000 0.472 130 M N -2.545 117.042 119.600 -0.023 0.000 2.333 130 M HA 0.456 4.931 4.480 -0.008 0.000 0.257 130 M C 1.113 177.372 176.300 -0.069 0.000 1.078 130 M CA 1.500 56.768 55.300 -0.053 0.000 1.005 130 M CB -2.046 30.505 32.600 -0.082 0.000 1.444 130 M HN 1.768 nan 8.290 nan 0.000 0.496 131 N N -1.206 117.468 118.700 -0.043 0.000 2.776 131 N HA 0.315 5.050 4.740 -0.008 0.000 0.249 131 N C 0.217 175.698 175.510 -0.049 0.000 1.111 131 N CA 1.247 54.277 53.050 -0.033 0.000 0.711 131 N CB -2.767 35.701 38.487 -0.031 0.000 1.065 131 N HN 2.381 nan 8.380 nan 0.000 0.556 132 L N -1.793 119.386 121.223 -0.073 0.000 2.343 132 L HA 0.903 5.238 4.340 -0.008 0.000 0.275 132 L C 0.912 177.826 176.870 0.073 0.000 1.056 132 L CA 0.081 54.857 54.840 -0.106 0.000 0.804 132 L CB 0.164 42.011 42.059 -0.352 0.000 1.203 132 L HN 1.278 nan 8.230 nan 0.000 0.440 133 D N 1.074 121.620 120.400 0.245 0.000 2.367 133 D HA 0.451 5.086 4.640 -0.008 0.000 0.255 133 D C 1.056 177.521 176.300 0.275 0.000 1.300 133 D CA 0.449 54.595 54.000 0.243 0.000 0.959 133 D CB 0.055 40.988 40.800 0.221 0.000 1.064 133 D HN 1.387 nan 8.370 nan 0.000 0.509 134 E N 0.335 120.643 120.200 0.179 0.000 2.331 134 E HA -0.055 4.290 4.350 -0.008 0.000 0.199 134 E C 2.225 178.910 176.600 0.141 0.000 1.008 134 E CA 1.873 58.377 56.400 0.174 0.000 0.843 134 E CB -0.927 28.844 29.700 0.119 0.000 0.761 134 E HN 0.862 nan 8.360 nan 0.000 0.507 135 K N -1.135 119.327 120.400 0.102 0.000 2.167 135 K HA 0.287 4.603 4.320 -0.008 0.000 0.203 135 K C 2.235 178.840 176.600 0.008 0.000 1.052 135 K CA 1.627 57.944 56.287 0.049 0.000 0.956 135 K CB -0.437 32.080 32.500 0.029 0.000 0.735 135 K HN 0.862 nan 8.250 nan 0.000 0.451 136 Q N -1.615 118.171 119.800 -0.024 0.000 2.141 136 Q HA 0.501 4.836 4.340 -0.008 0.000 0.248 136 Q C -0.215 175.485 176.000 -0.501 0.000 0.834 136 Q CA -0.432 55.227 55.803 -0.240 0.000 1.096 136 Q CB -0.516 28.029 28.738 -0.323 0.000 1.189 136 Q HN 0.757 nan 8.270 nan 0.000 0.471 137 W N 1.170 122.505 121.300 0.057 0.000 0.969 137 W HA 0.255 4.910 4.660 -0.008 0.000 0.317 137 W C -2.635 174.043 176.519 0.265 0.000 0.875 137 W CA -1.692 55.714 57.345 0.101 0.000 1.411 137 W CB 1.205 30.605 29.460 -0.101 0.000 1.457 137 W HN 0.122 nan 8.180 nan 0.000 0.491 138 P HA -0.030 nan 4.420 nan 0.000 0.261 138 P C -2.050 175.419 177.300 0.282 0.000 1.183 138 P CA -0.138 63.127 63.100 0.275 0.000 0.761 138 P CB 1.438 33.236 31.700 0.164 0.000 0.785 139 P HA -0.128 nan 4.420 nan 0.000 0.215 139 P C 1.843 179.200 177.300 0.095 0.000 1.157 139 P CA 1.532 64.726 63.100 0.156 0.000 0.874 139 P CB -0.078 31.693 31.700 0.118 0.000 0.790 140 R N -0.570 119.980 120.500 0.082 0.000 2.103 140 R HA -0.246 4.089 4.340 -0.008 0.000 0.242 140 R C 2.765 179.095 176.300 0.049 0.000 1.142 140 R CA 2.625 58.761 56.100 0.060 0.000 0.960 140 R CB -1.129 29.201 30.300 0.050 0.000 0.858 140 R HN 0.170 nan 8.270 nan 0.000 0.439 141 Q N -0.263 119.557 119.800 0.033 0.000 2.020 141 Q HA -0.066 4.269 4.340 -0.008 0.000 0.202 141 Q C 2.219 178.088 176.000 -0.217 0.000 0.982 141 Q CA 1.738 57.504 55.803 -0.062 0.000 0.838 141 Q CB -1.061 27.657 28.738 -0.033 0.000 0.899 141 Q HN 0.604 nan 8.270 nan 0.000 0.423 142 A N 0.516 123.184 122.820 -0.252 0.000 1.903 142 A HA -0.235 4.080 4.320 -0.008 0.000 0.219 142 A C 2.440 179.933 177.584 -0.153 0.000 1.191 142 A CA 2.552 54.423 52.037 -0.277 0.000 0.638 142 A CB -0.648 18.413 19.000 0.102 0.000 0.823 142 A HN 0.746 nan 8.150 nan 0.000 0.451 143 M N -2.028 117.518 119.600 -0.091 0.000 2.082 143 M HA -0.234 4.241 4.480 -0.008 0.000 0.258 143 M C 2.074 178.323 176.300 -0.084 0.000 1.071 143 M CA 2.669 57.900 55.300 -0.116 0.000 1.103 143 M CB -0.328 32.249 32.600 -0.038 0.000 1.307 143 M HN 0.703 nan 8.290 nan 0.000 0.409 144 W N 0.016 121.224 121.300 -0.152 0.000 2.321 144 W HA -0.317 4.339 4.660 -0.007 0.000 0.306 144 W C 2.078 178.503 176.519 -0.155 0.000 1.217 144 W CA 2.250 59.520 57.345 -0.125 0.000 1.257 144 W CB -0.799 28.607 29.460 -0.091 0.000 1.145 144 W HN 0.426 nan 8.180 nan 0.000 0.509 145 Y N 0.752 120.926 120.300 -0.210 0.000 2.114 145 Y HA -0.242 4.303 4.550 -0.008 0.000 0.284 145 Y C 2.292 177.868 175.900 -0.540 0.000 1.143 145 Y CA 2.696 60.540 58.100 -0.426 0.000 1.135 145 Y CB -0.819 37.379 38.460 -0.436 0.000 0.980 145 Y HN -0.031 nan 8.280 nan 0.000 0.499 146 I N 0.138 120.408 120.570 -0.500 0.000 2.394 146 I HA -0.308 3.857 4.170 -0.008 0.000 0.251 146 I C 1.857 177.582 176.117 -0.654 0.000 1.136 146 I CA 1.714 62.550 61.300 -0.772 0.000 1.425 146 I CB -0.600 36.989 38.000 -0.684 0.000 1.079 146 I HN 0.359 nan 8.210 nan 0.000 0.425 147 N N 0.373 118.774 118.700 -0.497 0.000 2.135 147 N HA -0.114 4.621 4.740 -0.008 0.000 0.186 147 N C 1.971 177.206 175.510 -0.458 0.000 1.027 147 N CA 1.211 54.033 53.050 -0.380 0.000 0.849 147 N CB 0.023 38.350 38.487 -0.267 0.000 1.002 147 N HN 0.142 nan 8.380 nan 0.000 0.425 148 S N 0.785 116.080 115.700 -0.673 0.000 2.383 148 S HA -0.193 4.272 4.470 -0.008 0.000 0.229 148 S C 1.884 176.155 174.600 -0.547 0.000 1.030 148 S CA 1.135 58.908 58.200 -0.712 0.000 1.002 148 S CB -0.255 62.226 63.200 -1.198 0.000 0.829 148 S HN 0.273 nan 8.310 nan 0.000 0.467 149 Q N 1.349 120.773 119.800 -0.626 0.000 2.050 149 Q HA -0.000 4.335 4.340 -0.008 0.000 0.202 149 Q C 1.946 177.772 176.000 -0.291 0.000 0.980 149 Q CA 1.539 57.049 55.803 -0.489 0.000 0.840 149 Q CB -0.119 28.223 28.738 -0.660 0.000 0.898 149 Q HN 0.437 nan 8.270 nan 0.000 0.424 150 K N 0.178 120.403 120.400 -0.292 0.000 2.211 150 K HA -0.085 4.231 4.320 -0.008 0.000 0.203 150 K C 0.826 177.328 176.600 -0.164 0.000 1.050 150 K CA 1.097 57.285 56.287 -0.165 0.000 0.945 150 K CB 0.065 32.484 32.500 -0.134 0.000 0.732 150 K HN 0.275 nan 8.250 nan 0.000 0.451 151 D N 1.214 121.491 120.400 -0.205 0.000 2.379 151 D HA -0.081 4.554 4.640 -0.008 0.000 0.243 151 D C 0.782 176.984 176.300 -0.163 0.000 1.088 151 D CA 0.813 54.704 54.000 -0.183 0.000 0.925 151 D CB 0.281 40.961 40.800 -0.201 0.000 0.888 151 D HN 0.237 nan 8.370 nan 0.000 0.529 152 E N -0.994 119.111 120.200 -0.158 0.000 2.676 152 E HA 0.155 4.500 4.350 -0.008 0.000 0.225 152 E C 1.190 177.715 176.600 -0.125 0.000 0.944 152 E CA 0.033 56.354 56.400 -0.132 0.000 1.156 152 E CB 1.281 30.902 29.700 -0.131 0.000 1.117 152 E HN 0.195 nan 8.360 nan 0.000 0.523 153 G N 2.108 110.835 108.800 -0.123 0.000 2.143 153 G HA2 -0.285 3.670 3.960 -0.008 0.000 0.248 153 G HA3 -0.285 3.670 3.960 -0.008 0.000 0.248 153 G C 0.173 175.060 174.900 -0.022 0.000 0.991 153 G CA 0.337 45.374 45.100 -0.105 0.000 0.689 153 G HN 0.178 nan 8.290 nan 0.000 0.522 154 L N 1.098 122.323 121.223 0.004 0.000 2.260 154 L HA 0.526 4.861 4.340 -0.008 0.000 0.289 154 L C 1.065 178.051 176.870 0.193 0.000 1.057 154 L CA -1.037 53.874 54.840 0.119 0.000 0.811 154 L CB 0.726 42.806 42.059 0.035 0.000 1.184 154 L HN 0.045 nan 8.230 nan 0.000 0.429 155 R N 4.426 125.018 120.500 0.152 0.000 2.541 155 R HA 0.311 4.646 4.340 -0.008 0.000 0.263 155 R C -1.409 174.559 176.300 -0.553 0.000 1.112 155 R CA -2.074 53.855 56.100 -0.284 0.000 1.170 155 R CB 0.216 30.117 30.300 -0.665 0.000 1.167 155 R HN 0.306 nan 8.270 nan 0.000 0.582 156 P HA -0.158 nan 4.420 nan 0.000 0.216 156 P C 0.647 177.730 177.300 -0.360 0.000 1.150 156 P CA 1.618 64.315 63.100 -0.672 0.000 0.837 156 P CB -0.178 31.126 31.700 -0.660 0.000 0.786 157 H N -2.502 116.347 119.070 -0.368 0.000 2.572 157 H HA 0.104 4.655 4.556 -0.008 0.000 0.278 157 H C 0.701 175.902 175.328 -0.210 0.000 1.050 157 H CA 0.125 56.011 56.048 -0.271 0.000 1.168 157 H CB -0.719 28.890 29.762 -0.256 0.000 1.316 157 H HN 0.289 nan 8.280 nan 0.000 0.610 158 H N 0.694 119.655 119.070 -0.182 0.000 2.927 158 H HA 0.224 4.776 4.556 -0.008 0.000 0.255 158 H C 1.619 176.917 175.328 -0.050 0.000 0.974 158 H CA 0.350 56.341 56.048 -0.094 0.000 1.199 158 H CB 0.098 29.777 29.762 -0.138 0.000 1.447 158 H HN 0.396 nan 8.280 nan 0.000 0.467 159 I N 1.848 122.457 120.570 0.066 0.000 2.821 159 I HA -0.043 4.122 4.170 -0.008 0.000 0.294 159 I C 0.859 176.969 176.117 -0.013 0.000 1.210 159 I CA 0.679 62.020 61.300 0.069 0.000 1.430 159 I CB -0.567 37.519 38.000 0.143 0.000 1.356 159 I HN 0.318 nan 8.210 nan 0.000 0.563 160 Q N 3.794 123.530 119.800 -0.107 0.000 2.465 160 Q HA 0.273 4.608 4.340 -0.008 0.000 0.361 160 Q C 0.775 176.357 176.000 -0.696 0.000 0.957 160 Q CA 0.000 55.568 55.803 -0.392 0.000 1.065 160 Q CB 0.414 28.887 28.738 -0.442 0.000 1.274 160 Q HN 1.005 nan 8.270 nan 0.000 0.421 161 S N 0.271 115.815 115.700 -0.260 0.000 2.643 161 S HA -0.051 4.414 4.470 -0.008 0.000 0.329 161 S C 0.583 175.093 174.600 -0.150 0.000 1.193 161 S CA -0.033 58.099 58.200 -0.114 0.000 1.293 161 S CB 0.008 63.233 63.200 0.042 0.000 1.205 161 S HN 0.466 nan 8.310 nan 0.000 0.550 162 Y N 3.539 123.894 120.300 0.092 0.000 2.181 162 Y HA 0.069 4.614 4.550 -0.008 0.000 0.288 162 Y C 2.339 178.276 175.900 0.062 0.000 1.146 162 Y CA 1.325 59.468 58.100 0.072 0.000 1.164 162 Y CB -0.199 38.301 38.460 0.066 0.000 0.982 162 Y HN 0.715 nan 8.280 nan 0.000 0.515 163 G N -1.758 107.172 108.800 0.216 0.000 2.686 163 G HA2 -0.089 3.866 3.960 -0.008 0.000 0.158 163 G HA3 -0.089 3.866 3.960 -0.008 0.000 0.158 163 G C -0.614 174.353 174.900 0.111 0.000 1.438 163 G CA -0.089 45.094 45.100 0.139 0.000 0.781 163 G HN 0.256 nan 8.290 nan 0.000 1.041 164 N N 1.597 120.375 118.700 0.131 0.000 2.405 164 N HA 0.358 5.094 4.740 -0.008 0.000 0.260 164 N C -1.552 174.019 175.510 0.102 0.000 1.152 164 N CA -0.765 52.352 53.050 0.112 0.000 0.948 164 N CB 1.527 40.091 38.487 0.129 0.000 1.111 164 N HN -0.011 nan 8.380 nan 0.000 0.485 165 P HA -0.069 nan 4.420 nan 0.000 0.222 165 P C 1.583 178.932 177.300 0.082 0.000 1.147 165 P CA 0.305 63.440 63.100 0.059 0.000 0.790 165 P CB 0.125 31.854 31.700 0.048 0.000 0.780 166 V N -0.251 119.735 119.914 0.120 0.000 2.453 166 V HA -0.300 3.816 4.120 -0.008 0.000 0.252 166 V C 2.618 178.812 176.094 0.167 0.000 1.068 166 V CA 2.705 65.095 62.300 0.150 0.000 1.070 166 V CB -1.571 30.325 31.823 0.121 0.000 0.664 166 V HN 0.273 nan 8.190 nan 0.000 0.461 167 E N -1.130 119.176 120.200 0.177 0.000 2.175 167 E HA -0.012 4.333 4.350 -0.008 0.000 0.195 167 E C 2.142 178.827 176.600 0.140 0.000 0.934 167 E CA 1.117 57.654 56.400 0.228 0.000 0.870 167 E CB -0.837 29.009 29.700 0.243 0.000 0.838 167 E HN 0.641 nan 8.360 nan 0.000 0.474 168 Q N 0.500 120.353 119.800 0.088 0.000 2.248 168 Q HA -0.184 4.151 4.340 -0.008 0.000 0.208 168 Q C 2.453 178.444 176.000 -0.014 0.000 0.984 168 Q CA 2.435 58.265 55.803 0.045 0.000 0.875 168 Q CB -1.504 27.251 28.738 0.027 0.000 0.910 168 Q HN 0.624 nan 8.270 nan 0.000 0.433 169 T N -0.888 113.604 114.554 -0.103 0.000 2.698 169 T HA -0.103 4.242 4.350 -0.008 0.000 0.260 169 T C 1.518 176.055 174.700 -0.272 0.000 1.044 169 T CA 0.995 62.898 62.100 -0.328 0.000 1.149 169 T CB -0.397 68.066 68.868 -0.674 0.000 0.864 169 T HN 0.803 nan 8.240 nan 0.000 0.419 170 W N 1.736 122.944 121.300 -0.153 0.000 2.317 170 W HA -0.211 4.444 4.660 -0.008 0.000 0.318 170 W C 2.818 179.354 176.519 0.028 0.000 1.227 170 W CA 1.072 58.291 57.345 -0.210 0.000 1.269 170 W CB -0.426 28.574 29.460 -0.767 0.000 1.155 170 W HN 0.323 nan 8.180 nan 0.000 0.484 171 Q N 1.054 121.066 119.800 0.352 0.000 2.133 171 Q HA -0.291 4.044 4.340 -0.008 0.000 0.208 171 Q C 2.232 178.366 176.000 0.224 0.000 0.991 171 Q CA 2.723 58.749 55.803 0.372 0.000 0.867 171 Q CB -0.227 28.645 28.738 0.223 0.000 0.911 171 Q HN 0.067 nan 8.270 nan 0.000 0.417 172 K N -0.639 119.823 120.400 0.103 0.000 1.991 172 K HA -0.128 4.188 4.320 -0.008 0.000 0.212 172 K C 2.177 178.835 176.600 0.097 0.000 1.049 172 K CA 1.296 57.605 56.287 0.036 0.000 0.932 172 K CB -1.065 31.393 32.500 -0.071 0.000 0.717 172 K HN 0.334 nan 8.250 nan 0.000 0.441 173 V N 0.169 120.160 119.914 0.127 0.000 2.231 173 V HA -0.299 3.816 4.120 -0.008 0.000 0.250 173 V C 2.238 178.536 176.094 0.340 0.000 1.058 173 V CA 2.494 64.920 62.300 0.209 0.000 1.022 173 V CB -0.819 31.191 31.823 0.311 0.000 0.640 173 V HN 0.509 nan 8.190 nan 0.000 0.445 174 Y N 0.884 121.336 120.300 0.254 0.000 2.102 174 Y HA -0.340 4.205 4.550 -0.008 0.000 0.280 174 Y C 2.669 178.696 175.900 0.212 0.000 1.178 174 Y CA 2.238 60.491 58.100 0.255 0.000 1.146 174 Y CB -0.934 37.690 38.460 0.274 0.000 0.968 174 Y HN 0.375 nan 8.280 nan 0.000 0.504 175 Q N -0.587 119.304 119.800 0.151 0.000 2.084 175 Q HA -0.161 4.174 4.340 -0.008 0.000 0.202 175 Q C 2.415 178.455 176.000 0.067 0.000 0.978 175 Q CA 1.730 57.523 55.803 -0.016 0.000 0.844 175 Q CB -0.277 28.440 28.738 -0.035 0.000 0.898 175 Q HN 0.567 nan 8.270 nan 0.000 0.426 176 A N -0.343 122.550 122.820 0.121 0.000 1.897 176 A HA -0.204 4.111 4.320 -0.008 0.000 0.215 176 A C 1.832 179.497 177.584 0.135 0.000 1.181 176 A CA 1.280 53.377 52.037 0.100 0.000 0.620 176 A CB -0.995 18.060 19.000 0.092 0.000 0.821 176 A HN 0.625 nan 8.150 nan 0.000 0.443 177 Y N 0.715 121.086 120.300 0.118 0.000 2.081 177 Y HA -0.309 4.237 4.550 -0.008 0.000 0.280 177 Y C 2.566 178.529 175.900 0.106 0.000 1.163 177 Y CA 2.474 60.648 58.100 0.124 0.000 1.135 177 Y CB -0.332 38.234 38.460 0.177 0.000 0.970 177 Y HN 0.323 nan 8.280 nan 0.000 0.498 178 Q N 0.343 120.172 119.800 0.049 0.000 2.020 178 Q HA -0.241 4.094 4.340 -0.008 0.000 0.202 178 Q C 2.302 178.245 176.000 -0.096 0.000 0.982 178 Q CA 1.998 57.765 55.803 -0.061 0.000 0.838 178 Q CB -0.630 28.143 28.738 0.058 0.000 0.899 178 Q HN 0.635 nan 8.270 nan 0.000 0.423 179 E N 0.399 120.574 120.200 -0.042 0.000 2.114 179 E HA -0.232 4.113 4.350 -0.008 0.000 0.199 179 E C 1.818 178.384 176.600 -0.058 0.000 1.008 179 E CA 1.551 57.927 56.400 -0.040 0.000 0.810 179 E CB -0.084 29.605 29.700 -0.019 0.000 0.739 179 E HN 0.386 nan 8.360 nan 0.000 0.456 180 A N -0.012 122.763 122.820 -0.075 0.000 1.841 180 A HA -0.200 4.115 4.320 -0.008 0.000 0.214 180 A C 2.487 179.996 177.584 -0.126 0.000 1.195 180 A CA 1.376 53.363 52.037 -0.083 0.000 0.611 180 A CB -1.039 17.920 19.000 -0.068 0.000 0.835 180 A HN 0.475 nan 8.150 nan 0.000 0.443 181 C N 0.072 119.227 119.300 -0.242 0.000 2.385 181 C HA -0.175 4.280 4.460 -0.008 0.000 0.275 181 C C 2.398 177.313 174.990 -0.125 0.000 1.207 181 C CA 1.362 60.234 59.018 -0.244 0.000 1.760 181 C CB -1.309 26.182 27.740 -0.414 0.000 2.051 181 C HN 0.603 nan 8.230 nan 0.000 0.467 182 D N -0.598 119.737 120.400 -0.108 0.000 2.218 182 D HA -0.131 4.504 4.640 -0.008 0.000 0.204 182 D C 2.267 178.546 176.300 -0.035 0.000 0.976 182 D CA 0.959 54.923 54.000 -0.058 0.000 0.853 182 D CB -0.483 40.287 40.800 -0.049 0.000 0.939 182 D HN 0.560 nan 8.370 nan 0.000 0.481 183 R N 0.556 121.032 120.500 -0.041 0.000 2.193 183 R HA 0.038 4.373 4.340 -0.008 0.000 0.213 183 R C 1.696 177.986 176.300 -0.017 0.000 1.055 183 R CA 0.887 56.973 56.100 -0.024 0.000 0.995 183 R CB 0.176 30.460 30.300 -0.026 0.000 0.893 183 R HN 0.018 nan 8.270 nan 0.000 0.459 184 A N -0.664 122.143 122.820 -0.023 0.000 2.303 184 A HA 0.302 4.617 4.320 -0.008 0.000 0.217 184 A C 1.082 178.668 177.584 0.004 0.000 1.205 184 A CA 0.441 52.471 52.037 -0.012 0.000 0.875 184 A CB 0.362 19.353 19.000 -0.015 0.000 0.910 184 A HN 0.432 nan 8.150 nan 0.000 0.501 185 G N -0.439 108.369 108.800 0.014 0.000 2.171 185 G HA2 -0.174 3.781 3.960 -0.008 0.000 0.238 185 G HA3 -0.174 3.781 3.960 -0.008 0.000 0.238 185 G C -0.127 174.824 174.900 0.085 0.000 1.039 185 G CA 0.303 45.441 45.100 0.062 0.000 0.759 185 G HN 0.431 nan 8.290 nan 0.000 0.501 186 L N -0.579 120.661 121.223 0.028 0.000 2.344 186 L HA 0.831 5.167 4.340 -0.008 0.000 0.272 186 L C 0.177 177.056 176.870 0.016 0.000 1.035 186 L CA -1.351 53.504 54.840 0.025 0.000 0.807 186 L CB 2.108 44.148 42.059 -0.032 0.000 1.237 186 L HN -0.040 nan 8.230 nan 0.000 0.442 187 V N 0.533 120.476 119.914 0.049 0.000 2.612 187 V HA 0.215 4.330 4.120 -0.008 0.000 0.301 187 V C -0.930 175.158 176.094 -0.010 0.000 1.059 187 V CA -0.907 61.411 62.300 0.029 0.000 0.886 187 V CB 2.009 33.881 31.823 0.082 0.000 1.007 187 V HN 0.879 nan 8.190 nan 0.000 0.426 188 D N 2.620 123.010 120.400 -0.017 0.000 2.432 188 D HA 0.412 5.048 4.640 -0.008 0.000 0.258 188 D C 0.908 177.168 176.300 -0.067 0.000 1.146 188 D CA -0.519 53.410 54.000 -0.119 0.000 1.015 188 D CB 0.702 41.496 40.800 -0.010 0.000 1.107 188 D HN 0.172 nan 8.370 nan 0.000 0.529 189 F N 0.149 120.126 119.950 0.045 0.000 2.043 189 F HA -0.128 4.394 4.527 -0.008 0.000 0.297 189 F C 2.774 178.643 175.800 0.114 0.000 1.121 189 F CA 1.776 59.814 58.000 0.063 0.000 1.199 189 F CB -1.383 37.578 39.000 -0.065 0.000 0.968 189 F HN 0.522 nan 8.300 nan 0.000 0.478 190 A N -0.406 122.557 122.820 0.239 0.000 1.917 190 A HA -0.283 4.032 4.320 -0.008 0.000 0.219 190 A C 2.115 179.725 177.584 0.043 0.000 1.182 190 A CA 2.018 54.114 52.037 0.098 0.000 0.633 190 A CB -0.951 18.050 19.000 0.002 0.000 0.819 190 A HN 0.375 nan 8.150 nan 0.000 0.448 191 E N 0.287 120.519 120.200 0.053 0.000 2.049 191 E HA -0.198 4.147 4.350 -0.008 0.000 0.198 191 E C 1.798 178.393 176.600 -0.008 0.000 1.007 191 E CA 1.572 57.986 56.400 0.023 0.000 0.809 191 E CB -0.538 29.177 29.700 0.024 0.000 0.749 191 E HN 0.588 nan 8.360 nan 0.000 0.450 192 L N -0.126 121.115 121.223 0.031 0.000 2.064 192 L HA -0.286 4.049 4.340 -0.008 0.000 0.216 192 L C 2.497 179.303 176.870 -0.107 0.000 1.077 192 L CA 1.492 56.336 54.840 0.007 0.000 0.766 192 L CB -0.556 41.587 42.059 0.140 0.000 0.890 192 L HN 0.280 nan 8.230 nan 0.000 0.435 193 L N -1.654 119.478 121.223 -0.152 0.000 2.049 193 L HA -0.182 4.154 4.340 -0.008 0.000 0.203 193 L C 2.493 179.270 176.870 -0.155 0.000 1.074 193 L CA 0.442 55.111 54.840 -0.285 0.000 0.749 193 L CB -0.616 41.235 42.059 -0.347 0.000 0.907 193 L HN 0.195 nan 8.230 nan 0.000 0.439 194 L N 0.552 121.724 121.223 -0.085 0.000 2.012 194 L HA -0.196 4.139 4.340 -0.008 0.000 0.210 194 L C 2.756 179.639 176.870 0.021 0.000 1.073 194 L CA 1.734 56.560 54.840 -0.023 0.000 0.748 194 L CB -0.623 41.419 42.059 -0.027 0.000 0.891 194 L HN 0.103 nan 8.230 nan 0.000 0.431 195 R N -0.278 120.207 120.500 -0.025 0.000 2.091 195 R HA -0.102 4.234 4.340 -0.008 0.000 0.238 195 R C 2.153 178.428 176.300 -0.041 0.000 1.136 195 R CA 1.642 57.720 56.100 -0.036 0.000 0.959 195 R CB -0.772 29.468 30.300 -0.101 0.000 0.856 195 R HN 0.515 nan 8.270 nan 0.000 0.437 196 A N 0.132 122.898 122.820 -0.092 0.000 1.835 196 A HA -0.238 4.078 4.320 -0.008 0.000 0.215 196 A C 2.169 179.704 177.584 -0.082 0.000 1.199 196 A CA 1.787 53.728 52.037 -0.161 0.000 0.615 196 A CB -1.242 17.604 19.000 -0.257 0.000 0.838 196 A HN 0.597 nan 8.150 nan 0.000 0.444 197 H N 0.397 119.463 119.070 -0.007 0.000 2.267 197 H HA -0.186 4.366 4.556 -0.007 0.000 0.291 197 H C 1.988 177.408 175.328 0.153 0.000 1.094 197 H CA 2.364 58.530 56.048 0.197 0.000 1.227 197 H CB -0.318 29.563 29.762 0.198 0.000 1.351 197 H HN 0.665 nan 8.280 nan 0.000 0.483 198 E N 0.173 120.564 120.200 0.320 0.000 2.097 198 E HA -0.193 4.153 4.350 -0.008 0.000 0.196 198 E C 2.502 179.201 176.600 0.166 0.000 1.000 198 E CA 0.984 57.530 56.400 0.244 0.000 0.804 198 E CB -0.282 29.512 29.700 0.157 0.000 0.740 198 E HN 0.296 nan 8.360 nan 0.000 0.454 199 L N 0.584 121.859 121.223 0.087 0.000 2.013 199 L HA -0.210 4.125 4.340 -0.008 0.000 0.212 199 L C 2.040 179.016 176.870 0.177 0.000 1.073 199 L CA 1.785 56.663 54.840 0.063 0.000 0.753 199 L CB -0.464 41.571 42.059 -0.040 0.000 0.890 199 L HN 0.212 nan 8.230 nan 0.000 0.432 200 W N -0.284 121.041 121.300 0.042 0.000 2.363 200 W HA -0.094 4.563 4.660 -0.006 0.000 0.296 200 W C 2.502 179.011 176.519 -0.018 0.000 1.212 200 W CA 1.023 58.357 57.345 -0.017 0.000 1.260 200 W CB -0.910 28.498 29.460 -0.086 0.000 1.131 200 W HN 0.216 nan 8.180 nan 0.000 0.530 201 L N 0.425 121.795 121.223 0.244 0.000 2.046 201 L HA -0.238 4.097 4.340 -0.008 0.000 0.208 201 L C 1.832 178.785 176.870 0.138 0.000 1.077 201 L CA 1.303 56.248 54.840 0.175 0.000 0.747 201 L CB -0.819 41.365 42.059 0.209 0.000 0.896 201 L HN -0.036 nan 8.230 nan 0.000 0.432 202 N N -0.185 118.598 118.700 0.138 0.000 2.392 202 N HA 0.005 4.740 4.740 -0.008 0.000 0.177 202 N C 0.087 175.661 175.510 0.107 0.000 1.066 202 N CA 0.613 53.730 53.050 0.111 0.000 0.895 202 N CB 0.332 38.880 38.487 0.102 0.000 0.988 202 N HN 0.334 nan 8.380 nan 0.000 0.457 203 K N 1.022 121.482 120.400 0.100 0.000 2.562 203 K HA 0.304 4.619 4.320 -0.008 0.000 0.206 203 K C -2.168 174.417 176.600 -0.025 0.000 1.033 203 K CA -1.509 54.807 56.287 0.049 0.000 1.029 203 K CB 2.173 34.643 32.500 -0.050 0.000 1.393 203 K HN -0.176 nan 8.250 nan 0.000 0.539 204 P HA -0.260 nan 4.420 nan 0.000 0.216 204 P C 1.310 178.621 177.300 0.018 0.000 1.154 204 P CA 1.548 64.676 63.100 0.048 0.000 0.865 204 P CB -0.003 31.747 31.700 0.083 0.000 0.789 205 H N -0.867 118.202 119.070 -0.001 0.000 2.326 205 H HA -0.040 4.511 4.556 -0.008 0.000 0.301 205 H C 1.961 177.289 175.328 -0.001 0.000 1.081 205 H CA 1.167 57.207 56.048 -0.014 0.000 1.334 205 H CB -1.497 28.254 29.762 -0.019 0.000 1.385 205 H HN 0.145 nan 8.280 nan 0.000 0.504 206 I N 0.812 120.981 120.570 -0.669 0.000 2.099 206 I HA -0.262 3.904 4.170 -0.008 0.000 0.239 206 I C 2.841 178.975 176.117 0.028 0.000 1.066 206 I CA 1.291 62.413 61.300 -0.297 0.000 1.324 206 I CB -0.426 37.376 38.000 -0.330 0.000 1.037 206 I HN 0.162 nan 8.210 nan 0.000 0.401 207 L N 0.742 121.943 121.223 -0.038 0.000 2.051 207 L HA -0.276 4.060 4.340 -0.008 0.000 0.214 207 L C 2.509 179.203 176.870 -0.293 0.000 1.076 207 L CA 1.946 56.569 54.840 -0.361 0.000 0.758 207 L CB -1.032 40.833 42.059 -0.324 0.000 0.890 207 L HN 0.268 nan 8.230 nan 0.000 0.433 208 Q N -0.785 118.914 119.800 -0.169 0.000 2.061 208 Q HA -0.275 4.060 4.340 -0.008 0.000 0.204 208 Q C 2.352 178.242 176.000 -0.184 0.000 0.984 208 Q CA 1.994 57.706 55.803 -0.152 0.000 0.846 208 Q CB -0.624 28.068 28.738 -0.076 0.000 0.902 208 Q HN 0.757 nan 8.270 nan 0.000 0.421 209 H N -0.638 118.281 119.070 -0.252 0.000 2.422 209 H HA -0.169 4.382 4.556 -0.008 0.000 0.298 209 H C 1.347 176.356 175.328 -0.531 0.000 1.098 209 H CA 1.547 57.371 56.048 -0.374 0.000 1.315 209 H CB 0.067 29.573 29.762 -0.426 0.000 1.382 209 H HN 0.268 nan 8.280 nan 0.000 0.523 210 Y N 0.475 120.700 120.300 -0.124 0.000 2.314 210 Y HA 0.047 4.593 4.550 -0.007 0.000 0.294 210 Y C 2.844 178.551 175.900 -0.322 0.000 1.119 210 Y CA 0.503 58.490 58.100 -0.189 0.000 1.179 210 Y CB -0.030 38.396 38.460 -0.057 0.000 1.025 210 Y HN 0.041 nan 8.280 nan 0.000 0.541 211 R N 0.308 120.649 120.500 -0.265 0.000 2.193 211 R HA -0.180 4.155 4.340 -0.008 0.000 0.229 211 R C 1.931 178.093 176.300 -0.230 0.000 1.110 211 R CA 1.323 57.273 56.100 -0.250 0.000 0.988 211 R CB -0.166 29.981 30.300 -0.255 0.000 0.871 211 R HN 0.503 nan 8.270 nan 0.000 0.458 212 E N 0.594 120.613 120.200 -0.302 0.000 2.086 212 E HA -0.143 4.203 4.350 -0.008 0.000 0.190 212 E C 2.091 178.467 176.600 -0.374 0.000 0.975 212 E CA 0.520 56.729 56.400 -0.317 0.000 0.813 212 E CB 0.200 29.680 29.700 -0.367 0.000 0.768 212 E HN 0.156 nan 8.360 nan 0.000 0.457 213 R N -0.386 119.793 120.500 -0.535 0.000 2.051 213 R HA -0.015 4.321 4.340 -0.008 0.000 0.225 213 R C 0.156 176.124 176.300 -0.553 0.000 1.155 213 R CA 0.780 56.486 56.100 -0.657 0.000 0.945 213 R CB -0.184 29.500 30.300 -1.027 0.000 0.840 213 R HN -0.003 nan 8.270 nan 0.000 0.432 214 F N 2.303 122.166 119.950 -0.146 0.000 2.619 214 F HA 0.145 4.667 4.527 -0.007 0.000 0.350 214 F C 1.070 176.808 175.800 -0.102 0.000 1.259 214 F CA -0.097 57.836 58.000 -0.111 0.000 1.204 214 F CB 0.852 39.783 39.000 -0.115 0.000 1.556 214 F HN 0.202 nan 8.300 nan 0.000 0.650 215 T N -2.824 111.763 114.554 0.054 0.000 3.057 215 T HA 0.087 4.432 4.350 -0.008 0.000 0.254 215 T C 0.599 175.327 174.700 0.047 0.000 1.094 215 T CA 0.083 62.194 62.100 0.019 0.000 1.088 215 T CB -0.050 68.808 68.868 -0.015 0.000 0.934 215 T HN 0.205 nan 8.240 nan 0.000 0.497 216 N N 1.780 120.531 118.700 0.085 0.000 2.511 216 N HA 0.465 5.200 4.740 -0.008 0.000 0.249 216 N C -1.216 174.331 175.510 0.062 0.000 0.971 216 N CA -0.322 52.770 53.050 0.070 0.000 0.938 216 N CB 1.681 40.217 38.487 0.080 0.000 1.131 216 N HN 0.406 nan 8.380 nan 0.000 0.505 217 I N 2.742 123.326 120.570 0.023 0.000 2.406 217 I HA 0.411 4.577 4.170 -0.008 0.000 0.290 217 I C -0.768 175.328 176.117 -0.035 0.000 0.999 217 I CA -0.850 60.445 61.300 -0.008 0.000 1.124 217 I CB 1.470 39.461 38.000 -0.014 0.000 1.289 217 I HN 0.084 nan 8.210 nan 0.000 0.441 218 L N 7.174 128.372 121.223 -0.042 0.000 2.381 218 L HA 0.602 4.937 4.340 -0.008 0.000 0.274 218 L C -0.553 176.278 176.870 -0.065 0.000 0.988 218 L CA -0.593 54.209 54.840 -0.064 0.000 0.824 218 L CB 1.971 44.008 42.059 -0.038 0.000 1.263 218 L HN 0.233 nan 8.230 nan 0.000 0.410 219 V N 1.232 121.099 119.914 -0.077 0.000 2.531 219 V HA 0.461 4.576 4.120 -0.008 0.000 0.301 219 V C -0.785 175.359 176.094 0.084 0.000 1.034 219 V CA -0.566 61.742 62.300 0.013 0.000 0.865 219 V CB 1.938 33.853 31.823 0.155 0.000 0.995 219 V HN 0.696 nan 8.190 nan 0.000 0.424 220 D N 2.857 123.340 120.400 0.137 0.000 2.229 220 D HA 0.430 5.065 4.640 -0.008 0.000 0.249 220 D C 0.478 177.006 176.300 0.380 0.000 1.027 220 D CA 0.031 54.144 54.000 0.188 0.000 0.923 220 D CB 1.101 41.975 40.800 0.123 0.000 1.174 220 D HN 0.590 nan 8.370 nan 0.000 0.443 221 E N 1.657 122.020 120.200 0.272 0.000 2.791 221 E HA -0.269 4.077 4.350 -0.008 0.000 0.271 221 E C 0.908 177.677 176.600 0.281 0.000 1.044 221 E CA 0.183 56.707 56.400 0.206 0.000 0.814 221 E CB -2.032 27.719 29.700 0.085 0.000 1.400 221 E HN 0.561 nan 8.360 nan 0.000 0.423 222 F N 1.903 121.975 119.950 0.203 0.000 2.214 222 F HA -0.282 4.240 4.527 -0.008 0.000 0.302 222 F C 2.602 178.493 175.800 0.152 0.000 1.063 222 F CA 2.453 60.587 58.000 0.222 0.000 1.319 222 F CB 0.062 39.116 39.000 0.090 0.000 1.046 222 F HN 0.225 nan 8.300 nan 0.000 0.505 223 Q N -0.677 119.193 119.800 0.117 0.000 2.500 223 Q HA -0.141 4.194 4.340 -0.008 0.000 0.213 223 Q C 0.377 176.324 176.000 -0.089 0.000 0.974 223 Q CA 1.452 57.263 55.803 0.013 0.000 0.918 223 Q CB -0.607 28.155 28.738 0.039 0.000 0.980 223 Q HN 0.361 nan 8.270 nan 0.000 0.505 224 D N 1.770 122.053 120.400 -0.195 0.000 2.363 224 D HA 0.050 4.685 4.640 -0.008 0.000 0.214 224 D C 0.097 176.233 176.300 -0.272 0.000 1.093 224 D CA 0.408 54.203 54.000 -0.342 0.000 0.837 224 D CB 0.464 40.843 40.800 -0.701 0.000 0.948 224 D HN 0.398 nan 8.370 nan 0.000 0.507 225 T N -0.232 114.263 114.554 -0.099 0.000 2.899 225 T HA 0.342 4.687 4.350 -0.008 0.000 0.295 225 T C 0.494 175.112 174.700 -0.136 0.000 1.033 225 T CA -0.853 61.226 62.100 -0.035 0.000 1.084 225 T CB 1.360 70.080 68.868 -0.247 0.000 0.979 225 T HN -0.008 nan 8.240 nan 0.000 0.532 226 N N 1.264 119.873 118.700 -0.151 0.000 2.604 226 N HA 0.312 5.047 4.740 -0.008 0.000 0.297 226 N C 0.811 176.265 175.510 -0.095 0.000 1.266 226 N CA -1.111 51.858 53.050 -0.134 0.000 0.961 226 N CB 0.116 38.512 38.487 -0.152 0.000 1.166 226 N HN 0.502 nan 8.380 nan 0.000 0.601 227 N N -0.473 118.181 118.700 -0.077 0.000 2.149 227 N HA -0.142 4.593 4.740 -0.008 0.000 0.188 227 N C 1.277 176.808 175.510 0.036 0.000 1.019 227 N CA 0.977 54.013 53.050 -0.023 0.000 0.857 227 N CB -0.312 38.142 38.487 -0.054 0.000 0.997 227 N HN 0.577 nan 8.380 nan 0.000 0.426 228 I N 1.632 122.177 120.570 -0.042 0.000 2.617 228 I HA -0.155 4.010 4.170 -0.008 0.000 0.256 228 I C 2.059 178.214 176.117 0.062 0.000 1.167 228 I CA 1.064 62.343 61.300 -0.034 0.000 1.469 228 I CB -0.055 37.866 38.000 -0.131 0.000 1.098 228 I HN 0.063 nan 8.210 nan 0.000 0.436 229 Q N -0.976 118.772 119.800 -0.087 0.000 2.096 229 Q HA -0.214 4.121 4.340 -0.008 0.000 0.197 229 Q C 2.135 178.240 176.000 0.175 0.000 0.964 229 Q CA 1.821 57.504 55.803 -0.200 0.000 0.838 229 Q CB -0.469 27.748 28.738 -0.869 0.000 0.906 229 Q HN 0.630 nan 8.270 nan 0.000 0.444 230 Y N 1.364 121.704 120.300 0.066 0.000 2.128 230 Y HA -0.281 4.264 4.550 -0.008 0.000 0.284 230 Y C 2.269 178.378 175.900 0.349 0.000 1.154 230 Y CA 1.521 59.766 58.100 0.241 0.000 1.149 230 Y CB -0.312 38.240 38.460 0.154 0.000 0.976 230 Y HN 0.094 nan 8.280 nan 0.000 0.505 231 A N -0.209 122.904 122.820 0.488 0.000 1.883 231 A HA -0.274 4.041 4.320 -0.008 0.000 0.217 231 A C 2.082 179.970 177.584 0.506 0.000 1.186 231 A CA 1.708 54.034 52.037 0.481 0.000 0.624 231 A CB -1.774 17.482 19.000 0.427 0.000 0.822 231 A HN 0.825 nan 8.150 nan 0.000 0.444 232 W N 0.691 122.216 121.300 0.375 0.000 2.338 232 W HA -0.212 4.444 4.660 -0.006 0.000 0.304 232 W C 1.749 178.446 176.519 0.297 0.000 1.212 232 W CA 1.910 59.455 57.345 0.332 0.000 1.264 232 W CB -0.129 29.499 29.460 0.279 0.000 1.142 232 W HN 0.263 nan 8.180 nan 0.000 0.512 233 I N 0.600 121.422 120.570 0.419 0.000 2.142 233 I HA -0.246 3.919 4.170 -0.008 0.000 0.240 233 I C 2.453 178.611 176.117 0.068 0.000 1.078 233 I CA 1.695 63.118 61.300 0.206 0.000 1.343 233 I CB -1.707 36.488 38.000 0.325 0.000 1.046 233 I HN -0.011 nan 8.210 nan 0.000 0.405 234 R N 1.213 121.753 120.500 0.067 0.000 2.094 234 R HA -0.175 4.161 4.340 -0.008 0.000 0.239 234 R C 2.328 178.638 176.300 0.017 0.000 1.137 234 R CA 1.596 57.736 56.100 0.066 0.000 0.943 234 R CB -1.044 29.286 30.300 0.050 0.000 0.850 234 R HN 0.326 nan 8.270 nan 0.000 0.433 235 L N -0.210 121.020 121.223 0.011 0.000 2.042 235 L HA -0.185 4.150 4.340 -0.008 0.000 0.210 235 L C 2.061 178.792 176.870 -0.231 0.000 1.076 235 L CA 1.410 56.204 54.840 -0.075 0.000 0.749 235 L CB -0.329 41.689 42.059 -0.069 0.000 0.893 235 L HN 0.335 nan 8.230 nan 0.000 0.432 236 L N -0.277 120.757 121.223 -0.315 0.000 2.072 236 L HA -0.046 4.289 4.340 -0.008 0.000 0.205 236 L C 2.570 179.275 176.870 -0.275 0.000 1.079 236 L CA 1.946 56.480 54.840 -0.510 0.000 0.752 236 L CB -0.749 40.949 42.059 -0.602 0.000 0.906 236 L HN 0.159 nan 8.230 nan 0.000 0.436 237 A N -0.537 122.209 122.820 -0.124 0.000 1.933 237 A HA 0.178 4.493 4.320 -0.008 0.000 0.218 237 A C 1.924 179.480 177.584 -0.047 0.000 1.175 237 A CA 1.566 53.588 52.037 -0.025 0.000 0.628 237 A CB -1.442 17.633 19.000 0.124 0.000 0.814 237 A HN 0.776 nan 8.150 nan 0.000 0.444 238 G N -0.769 107.987 108.800 -0.074 0.000 2.651 238 G HA2 -0.376 3.579 3.960 -0.008 0.000 0.315 238 G HA3 -0.376 3.579 3.960 -0.008 0.000 0.315 238 G C 0.510 175.371 174.900 -0.065 0.000 1.258 238 G CA 0.706 45.752 45.100 -0.092 0.000 1.002 238 G HN 0.383 nan 8.290 nan 0.000 0.551 239 D N -0.126 120.234 120.400 -0.068 0.000 2.388 239 D HA 0.110 4.745 4.640 -0.008 0.000 0.208 239 D C 2.628 178.909 176.300 -0.032 0.000 1.035 239 D CA 1.818 55.786 54.000 -0.053 0.000 0.875 239 D CB 0.062 40.827 40.800 -0.059 0.000 0.984 239 D HN 0.621 nan 8.370 nan 0.000 0.508 240 T N -1.381 113.148 114.554 -0.041 0.000 2.904 240 T HA 0.120 4.465 4.350 -0.008 0.000 0.243 240 T C 1.493 176.186 174.700 -0.012 0.000 1.024 240 T CA 0.414 62.494 62.100 -0.034 0.000 1.158 240 T CB -0.687 68.146 68.868 -0.059 0.000 0.867 240 T HN -0.012 nan 8.240 nan 0.000 0.429 241 G N 2.659 111.448 108.800 -0.019 0.000 2.368 241 G HA2 0.322 4.278 3.960 -0.008 0.000 0.233 241 G HA3 0.322 4.278 3.960 -0.008 0.000 0.233 241 G C -0.466 174.459 174.900 0.041 0.000 1.267 241 G CA -0.361 44.741 45.100 0.004 0.000 0.873 241 G HN 0.387 nan 8.290 nan 0.000 0.539 242 K N 1.124 121.546 120.400 0.037 0.000 2.307 242 K HA 0.387 4.703 4.320 -0.008 0.000 0.263 242 K C -0.137 176.479 176.600 0.026 0.000 0.973 242 K CA -0.615 55.698 56.287 0.043 0.000 0.846 242 K CB 1.870 34.393 32.500 0.039 0.000 1.100 242 K HN 0.476 nan 8.250 nan 0.000 0.438 243 V N 0.941 120.864 119.914 0.014 0.000 2.495 243 V HA 0.580 4.696 4.120 -0.008 0.000 0.298 243 V C -0.276 175.769 176.094 -0.081 0.000 1.031 243 V CA -1.072 61.209 62.300 -0.033 0.000 0.871 243 V CB 1.702 33.498 31.823 -0.045 0.000 0.988 243 V HN 0.833 nan 8.190 nan 0.000 0.432 244 M N 7.632 127.154 119.600 -0.131 0.000 2.129 244 M HA 0.678 5.153 4.480 -0.008 0.000 0.348 244 M C -0.796 175.305 176.300 -0.331 0.000 1.116 244 M CA -0.686 54.500 55.300 -0.190 0.000 1.022 244 M CB 1.062 33.596 32.600 -0.109 0.000 1.599 244 M HN 0.899 nan 8.290 nan 0.000 0.449 245 I N 3.506 123.729 120.570 -0.579 0.000 2.412 245 I HA 0.745 4.910 4.170 -0.008 0.000 0.296 245 I C -1.337 174.553 176.117 -0.379 0.000 0.987 245 I CA -0.939 59.958 61.300 -0.670 0.000 1.180 245 I CB 1.700 38.816 38.000 -1.474 0.000 1.340 245 I HN 0.397 nan 8.210 nan 0.000 0.455 246 V N 4.977 124.787 119.914 -0.173 0.000 2.628 246 V HA 0.989 5.105 4.120 -0.008 0.000 0.306 246 V C 0.492 176.602 176.094 0.027 0.000 1.045 246 V CA -0.126 62.133 62.300 -0.068 0.000 0.905 246 V CB 1.219 33.024 31.823 -0.030 0.000 0.997 246 V HN 1.154 nan 8.190 nan 0.000 0.436 247 G N 2.026 110.848 108.800 0.036 0.000 2.466 247 G HA2 0.524 4.479 3.960 -0.008 0.000 0.291 247 G HA3 0.524 4.479 3.960 -0.008 0.000 0.291 247 G C -2.357 172.582 174.900 0.066 0.000 1.460 247 G CA -0.386 44.767 45.100 0.089 0.000 0.791 247 G HN 0.535 nan 8.290 nan 0.000 0.505 248 D N 0.141 120.583 120.400 0.071 0.000 2.476 248 D HA 0.234 4.870 4.640 -0.008 0.000 0.251 248 D C 0.808 177.135 176.300 0.045 0.000 1.291 248 D CA -0.423 53.611 54.000 0.056 0.000 0.939 248 D CB 1.422 42.262 40.800 0.066 0.000 1.221 248 D HN 0.390 nan 8.370 nan 0.000 0.567 249 D N 1.912 122.334 120.400 0.036 0.000 2.351 249 D HA -0.172 4.464 4.640 -0.008 0.000 0.216 249 D C 0.373 176.660 176.300 -0.021 0.000 0.968 249 D CA 0.505 54.519 54.000 0.023 0.000 0.899 249 D CB 0.417 41.234 40.800 0.029 0.000 0.907 249 D HN 0.335 nan 8.370 nan 0.000 0.514 250 D N 0.159 120.528 120.400 -0.051 0.000 2.350 250 D HA 0.013 4.649 4.640 -0.008 0.000 0.213 250 D C 0.970 177.226 176.300 -0.074 0.000 1.031 250 D CA 0.206 54.118 54.000 -0.147 0.000 0.861 250 D CB 0.354 40.948 40.800 -0.343 0.000 0.926 250 D HN 0.395 nan 8.370 nan 0.000 0.520 251 Q N 0.139 119.950 119.800 0.018 0.000 2.189 251 Q HA 0.140 4.476 4.340 -0.008 0.000 0.221 251 Q C -0.045 175.966 176.000 0.017 0.000 0.848 251 Q CA -0.140 55.695 55.803 0.055 0.000 1.007 251 Q CB 1.074 29.863 28.738 0.086 0.000 1.116 251 Q HN -0.143 nan 8.270 nan 0.000 0.481 252 S N 1.573 117.274 115.700 0.003 0.000 2.448 252 S HA 0.308 4.773 4.470 -0.008 0.000 0.279 252 S C 0.477 175.071 174.600 -0.010 0.000 1.195 252 S CA -0.392 57.810 58.200 0.004 0.000 1.051 252 S CB 0.009 63.211 63.200 0.003 0.000 0.948 252 S HN 0.503 nan 8.310 nan 0.000 0.493 253 I N 1.961 122.500 120.570 -0.052 0.000 3.820 253 I HA 0.367 4.533 4.170 -0.008 0.000 0.323 253 I C -1.059 174.982 176.117 -0.127 0.000 1.482 253 I CA -0.444 60.805 61.300 -0.085 0.000 1.048 253 I CB 0.066 37.916 38.000 -0.249 0.000 1.436 253 I HN 0.465 nan 8.210 nan 0.000 0.575 254 Y N 1.505 121.803 120.300 -0.003 0.000 2.716 254 Y HA 0.507 5.052 4.550 -0.008 0.000 0.260 254 Y C 2.004 177.583 175.900 -0.535 0.000 1.141 254 Y CA -0.293 57.590 58.100 -0.361 0.000 1.168 254 Y CB 1.080 39.337 38.460 -0.338 0.000 1.189 254 Y HN 0.237 nan 8.280 nan 0.000 0.549 255 G N 0.504 109.217 108.800 -0.145 0.000 2.422 255 G HA2 -0.216 3.739 3.960 -0.008 0.000 0.218 255 G HA3 -0.216 3.739 3.960 -0.008 0.000 0.218 255 G C 1.241 176.103 174.900 -0.064 0.000 1.140 255 G CA 0.495 45.555 45.100 -0.067 0.000 0.775 255 G HN 0.682 nan 8.290 nan 0.000 0.545 256 W N 1.223 122.590 121.300 0.111 0.000 3.216 256 W HA 0.206 4.862 4.660 -0.007 0.000 0.247 256 W C 1.142 177.750 176.519 0.148 0.000 1.326 256 W CA 0.268 57.684 57.345 0.118 0.000 1.564 256 W CB -0.590 28.924 29.460 0.089 0.000 1.113 256 W HN 0.425 nan 8.180 nan 0.000 0.722 257 R N -0.263 119.995 120.500 -0.404 0.000 2.526 257 R HA 0.378 4.713 4.340 -0.008 0.000 0.346 257 R C 1.027 177.197 176.300 -0.218 0.000 0.926 257 R CA 0.519 56.419 56.100 -0.333 0.000 1.147 257 R CB -0.058 29.798 30.300 -0.739 0.000 1.629 257 R HN -0.013 nan 8.270 nan 0.000 0.516 258 G N 0.282 108.979 108.800 -0.172 0.000 2.273 258 G HA2 -0.096 3.860 3.960 -0.008 0.000 0.162 258 G HA3 -0.096 3.860 3.960 -0.008 0.000 0.162 258 G C 0.102 174.921 174.900 -0.135 0.000 1.006 258 G CA -0.238 44.777 45.100 -0.141 0.000 0.704 258 G HN 0.517 nan 8.290 nan 0.000 0.487 259 A N 0.742 123.475 122.820 -0.146 0.000 2.450 259 A HA 0.627 4.942 4.320 -0.008 0.000 0.255 259 A C 0.300 177.834 177.584 -0.082 0.000 1.096 259 A CA 0.243 52.208 52.037 -0.121 0.000 0.778 259 A CB 0.370 19.306 19.000 -0.106 0.000 1.031 259 A HN 0.226 nan 8.150 nan 0.000 0.494 260 Q N 2.694 122.441 119.800 -0.088 0.000 2.368 260 Q HA 0.266 4.601 4.340 -0.008 0.000 0.256 260 Q C 1.105 177.076 176.000 -0.049 0.000 0.980 260 Q CA -0.347 55.416 55.803 -0.068 0.000 0.887 260 Q CB 1.091 29.775 28.738 -0.091 0.000 1.221 260 Q HN 0.528 nan 8.270 nan 0.000 0.458 261 V N 2.103 122.006 119.914 -0.020 0.000 2.469 261 V HA -0.289 3.826 4.120 -0.008 0.000 0.251 261 V C 1.855 177.958 176.094 0.015 0.000 1.064 261 V CA 1.778 64.079 62.300 0.002 0.000 1.066 261 V CB -0.330 31.500 31.823 0.012 0.000 0.667 261 V HN 0.646 nan 8.190 nan 0.000 0.461 262 E N 0.741 120.942 120.200 0.000 0.000 2.007 262 E HA -0.234 4.111 4.350 -0.008 0.000 0.203 262 E C 2.106 178.731 176.600 0.041 0.000 1.020 262 E CA 1.622 58.027 56.400 0.009 0.000 0.845 262 E CB -0.371 29.311 29.700 -0.030 0.000 0.779 262 E HN 0.513 nan 8.360 nan 0.000 0.466 263 N N 0.242 118.930 118.700 -0.019 0.000 2.322 263 N HA -0.297 4.438 4.740 -0.008 0.000 0.182 263 N C 1.692 177.459 175.510 0.428 0.000 0.802 263 N CA 1.708 54.795 53.050 0.061 0.000 0.932 263 N CB -0.640 37.794 38.487 -0.088 0.000 1.030 263 N HN 0.261 nan 8.380 nan 0.000 0.946 264 I N 0.087 120.863 120.570 0.344 0.000 2.361 264 I HA -0.295 3.870 4.170 -0.008 0.000 0.251 264 I C 2.285 178.619 176.117 0.361 0.000 1.133 264 I CA 1.303 62.863 61.300 0.433 0.000 1.413 264 I CB 0.084 38.242 38.000 0.263 0.000 1.073 264 I HN 0.191 nan 8.210 nan 0.000 0.424 265 Q N 0.618 120.577 119.800 0.265 0.000 2.226 265 Q HA -0.126 4.209 4.340 -0.008 0.000 0.199 265 Q C 2.227 178.378 176.000 0.252 0.000 0.945 265 Q CA 1.053 56.987 55.803 0.219 0.000 0.861 265 Q CB -0.260 28.556 28.738 0.131 0.000 0.953 265 Q HN 0.274 nan 8.270 nan 0.000 0.490 266 R N -0.666 119.969 120.500 0.224 0.000 2.119 266 R HA -0.213 4.123 4.340 -0.008 0.000 0.246 266 R C 1.941 178.502 176.300 0.436 0.000 1.146 266 R CA 1.742 57.955 56.100 0.189 0.000 0.962 266 R CB -0.600 29.659 30.300 -0.068 0.000 0.863 266 R HN 0.380 nan 8.270 nan 0.000 0.442 267 F N 1.181 121.431 119.950 0.501 0.000 2.065 267 F HA -0.244 4.279 4.527 -0.007 0.000 0.298 267 F C 1.870 177.929 175.800 0.431 0.000 1.112 267 F CA 1.823 60.151 58.000 0.547 0.000 1.212 267 F CB -0.446 38.700 39.000 0.243 0.000 0.975 267 F HN 0.005 nan 8.300 nan 0.000 0.476 268 L N 0.042 121.477 121.223 0.352 0.000 2.042 268 L HA -0.302 4.033 4.340 -0.008 0.000 0.210 268 L C 2.324 179.272 176.870 0.131 0.000 1.076 268 L CA 1.484 56.435 54.840 0.184 0.000 0.749 268 L CB -0.970 41.204 42.059 0.191 0.000 0.893 268 L HN 0.239 nan 8.230 nan 0.000 0.432 269 N N 0.132 118.922 118.700 0.151 0.000 2.039 269 N HA -0.168 4.567 4.740 -0.008 0.000 0.193 269 N C 1.212 176.753 175.510 0.053 0.000 1.044 269 N CA 1.398 54.504 53.050 0.093 0.000 0.847 269 N CB -0.471 38.067 38.487 0.085 0.000 1.030 269 N HN 0.317 nan 8.380 nan 0.000 0.422 270 D N -0.351 120.099 120.400 0.082 0.000 2.358 270 D HA -0.014 4.621 4.640 -0.008 0.000 0.241 270 D C -0.533 175.488 176.300 -0.466 0.000 1.094 270 D CA 0.461 54.391 54.000 -0.116 0.000 0.907 270 D CB -0.203 40.581 40.800 -0.026 0.000 0.893 270 D HN 0.196 nan 8.370 nan 0.000 0.528 271 F N 0.224 120.062 119.950 -0.186 0.000 2.959 271 F HA 0.286 4.808 4.527 -0.008 0.000 0.379 271 F C -2.431 173.268 175.800 -0.168 0.000 1.215 271 F CA -1.938 55.902 58.000 -0.267 0.000 1.190 271 F CB 1.924 40.558 39.000 -0.610 0.000 1.574 271 F HN -0.315 nan 8.300 nan 0.000 0.575 272 P HA 0.381 nan 4.420 nan 0.000 0.274 272 P C 0.844 178.165 177.300 0.035 0.000 1.231 272 P CA 0.572 63.683 63.100 0.019 0.000 0.790 272 P CB 1.281 32.978 31.700 -0.005 0.000 0.951 273 G N 0.879 109.698 108.800 0.032 0.000 2.284 273 G HA2 -0.244 3.711 3.960 -0.008 0.000 0.247 273 G HA3 -0.244 3.711 3.960 -0.008 0.000 0.247 273 G C 0.447 175.372 174.900 0.041 0.000 1.012 273 G CA 0.034 45.155 45.100 0.034 0.000 0.618 273 G HN 0.839 nan 8.290 nan 0.000 0.521 274 A N 1.263 124.109 122.820 0.043 0.000 2.476 274 A HA 0.541 4.857 4.320 -0.008 0.000 0.275 274 A C 0.723 178.346 177.584 0.066 0.000 1.133 274 A CA 0.545 52.608 52.037 0.044 0.000 0.797 274 A CB 0.079 19.064 19.000 -0.025 0.000 1.081 274 A HN 0.534 nan 8.150 nan 0.000 0.510 275 E N 1.394 121.631 120.200 0.061 0.000 2.359 275 E HA 0.486 4.831 4.350 -0.008 0.000 0.255 275 E C -0.686 175.951 176.600 0.062 0.000 1.191 275 E CA -0.436 55.995 56.400 0.052 0.000 0.952 275 E CB 0.824 30.544 29.700 0.033 0.000 1.152 275 E HN 0.489 nan 8.360 nan 0.000 0.496 276 T N 1.186 115.768 114.554 0.048 0.000 2.965 276 T HA 0.404 4.750 4.350 -0.008 0.000 0.306 276 T C -0.213 174.503 174.700 0.026 0.000 0.991 276 T CA -0.483 61.643 62.100 0.044 0.000 1.001 276 T CB 0.243 69.145 68.868 0.056 0.000 0.984 276 T HN 0.236 nan 8.240 nan 0.000 0.446 277 I N 3.362 123.940 120.570 0.012 0.000 2.321 277 I HA 0.401 4.567 4.170 -0.008 0.000 0.291 277 I C 0.583 176.708 176.117 0.012 0.000 0.998 277 I CA -0.667 60.637 61.300 0.006 0.000 1.227 277 I CB 1.031 39.022 38.000 -0.015 0.000 1.368 277 I HN 0.262 nan 8.210 nan 0.000 0.466 278 R N 6.816 127.332 120.500 0.028 0.000 2.229 278 R HA 0.524 4.859 4.340 -0.008 0.000 0.328 278 R C -0.996 175.333 176.300 0.049 0.000 1.009 278 R CA -0.657 55.467 56.100 0.040 0.000 0.864 278 R CB 1.115 31.448 30.300 0.055 0.000 1.085 278 R HN 0.535 nan 8.270 nan 0.000 0.453 279 L N 3.923 125.169 121.223 0.038 0.000 2.255 279 L HA 0.263 4.599 4.340 -0.008 0.000 0.289 279 L C 0.675 177.570 176.870 0.042 0.000 1.046 279 L CA 0.094 54.956 54.840 0.036 0.000 0.816 279 L CB 1.108 43.171 42.059 0.007 0.000 1.197 279 L HN 0.707 nan 8.230 nan 0.000 0.427 280 E N 1.400 121.639 120.200 0.064 0.000 2.601 280 E HA 0.063 4.408 4.350 -0.008 0.000 0.219 280 E C 0.159 176.615 176.600 -0.240 0.000 0.964 280 E CA -0.161 56.263 56.400 0.039 0.000 1.050 280 E CB 1.046 30.870 29.700 0.207 0.000 1.068 280 E HN 0.568 nan 8.360 nan 0.000 0.496 281 Q N 2.006 121.594 119.800 -0.353 0.000 2.304 281 Q HA 0.100 4.435 4.340 -0.008 0.000 0.260 281 Q C -0.617 175.077 176.000 -0.509 0.000 0.965 281 Q CA -0.108 55.143 55.803 -0.919 0.000 0.898 281 Q CB 0.662 28.950 28.738 -0.751 0.000 1.196 281 Q HN -0.003 nan 8.270 nan 0.000 0.402 282 N N 3.502 121.809 118.700 -0.655 0.000 2.408 282 N HA 0.113 4.848 4.740 -0.008 0.000 0.280 282 N C -1.280 173.983 175.510 -0.411 0.000 1.002 282 N CA -0.119 52.739 53.050 -0.320 0.000 0.907 282 N CB 0.673 39.006 38.487 -0.256 0.000 1.161 282 N HN 0.568 nan 8.380 nan 0.000 0.488 283 Y N 2.196 122.369 120.300 -0.210 0.000 2.681 283 Y HA 0.340 4.886 4.550 -0.008 0.000 0.267 283 Y C 1.786 177.607 175.900 -0.132 0.000 1.166 283 Y CA -0.356 57.643 58.100 -0.168 0.000 1.209 283 Y CB 0.319 38.690 38.460 -0.149 0.000 1.161 283 Y HN 0.480 nan 8.280 nan 0.000 0.534 284 R N -0.275 120.211 120.500 -0.023 0.000 2.040 284 R HA 0.204 4.539 4.340 -0.008 0.000 0.209 284 R C 0.474 176.732 176.300 -0.071 0.000 1.281 284 R CA 0.727 56.797 56.100 -0.050 0.000 1.064 284 R CB 0.176 30.433 30.300 -0.072 0.000 0.950 284 R HN 0.181 nan 8.270 nan 0.000 0.462 285 S N 0.332 115.976 115.700 -0.093 0.000 2.707 285 S HA 0.220 4.685 4.470 -0.008 0.000 0.276 285 S C 0.153 174.705 174.600 -0.081 0.000 1.179 285 S CA -0.658 57.489 58.200 -0.088 0.000 0.992 285 S CB 1.535 64.674 63.200 -0.100 0.000 1.030 285 S HN 0.424 nan 8.310 nan 0.000 0.554 286 T N -1.890 112.626 114.554 -0.064 0.000 2.899 286 T HA 0.307 4.653 4.350 -0.008 0.000 0.284 286 T C 1.252 175.927 174.700 -0.042 0.000 1.004 286 T CA -0.249 61.823 62.100 -0.047 0.000 1.043 286 T CB 1.125 69.973 68.868 -0.034 0.000 1.013 286 T HN 0.424 nan 8.240 nan 0.000 0.518 287 S N 1.393 117.079 115.700 -0.023 0.000 2.387 287 S HA -0.188 4.277 4.470 -0.008 0.000 0.230 287 S C 1.919 176.517 174.600 -0.004 0.000 1.035 287 S CA 1.642 59.839 58.200 -0.005 0.000 1.014 287 S CB -0.823 62.386 63.200 0.015 0.000 0.836 287 S HN 0.752 nan 8.310 nan 0.000 0.466 288 N N 1.307 120.001 118.700 -0.009 0.000 2.084 288 N HA -0.009 4.727 4.740 -0.008 0.000 0.190 288 N C 1.793 177.292 175.510 -0.018 0.000 1.030 288 N CA 1.433 54.479 53.050 -0.007 0.000 0.849 288 N CB -0.576 37.907 38.487 -0.007 0.000 1.012 288 N HN 0.458 nan 8.380 nan 0.000 0.423 289 I N 1.268 121.815 120.570 -0.037 0.000 2.127 289 I HA -0.261 3.904 4.170 -0.008 0.000 0.241 289 I C 2.077 178.158 176.117 -0.060 0.000 1.075 289 I CA 1.032 62.297 61.300 -0.058 0.000 1.334 289 I CB -0.289 37.662 38.000 -0.080 0.000 1.040 289 I HN 0.080 nan 8.210 nan 0.000 0.405 290 L N -0.446 120.745 121.223 -0.053 0.000 2.191 290 L HA -0.205 4.130 4.340 -0.008 0.000 0.212 290 L C 2.668 179.540 176.870 0.003 0.000 1.103 290 L CA 0.873 55.689 54.840 -0.040 0.000 0.769 290 L CB -0.523 41.517 42.059 -0.031 0.000 0.908 290 L HN 0.234 nan 8.230 nan 0.000 0.438 291 S N -0.246 115.460 115.700 0.009 0.000 2.338 291 S HA -0.143 4.322 4.470 -0.008 0.000 0.218 291 S C 2.185 176.801 174.600 0.027 0.000 1.032 291 S CA 1.265 59.481 58.200 0.026 0.000 0.999 291 S CB -0.093 63.120 63.200 0.022 0.000 0.905 291 S HN 0.461 nan 8.310 nan 0.000 0.439 292 A N 1.478 124.305 122.820 0.012 0.000 1.917 292 A HA 0.009 4.324 4.320 -0.008 0.000 0.219 292 A C 2.368 179.965 177.584 0.021 0.000 1.182 292 A CA 2.135 54.181 52.037 0.015 0.000 0.633 292 A CB -1.355 17.645 19.000 0.000 0.000 0.819 292 A HN 0.663 nan 8.150 nan 0.000 0.448 293 A N 0.154 122.970 122.820 -0.007 0.000 1.851 293 A HA -0.236 4.079 4.320 -0.008 0.000 0.216 293 A C 2.019 179.699 177.584 0.159 0.000 1.195 293 A CA 1.892 53.921 52.037 -0.013 0.000 0.622 293 A CB -0.763 18.136 19.000 -0.169 0.000 0.831 293 A HN 0.555 nan 8.150 nan 0.000 0.444 294 N N 0.401 119.178 118.700 0.129 0.000 2.007 294 N HA -0.214 4.521 4.740 -0.008 0.000 0.197 294 N C 2.016 177.590 175.510 0.107 0.000 1.050 294 N CA 1.937 55.074 53.050 0.144 0.000 0.856 294 N CB -0.926 37.619 38.487 0.096 0.000 1.050 294 N HN 0.466 nan 8.380 nan 0.000 0.423 295 A N 1.690 124.554 122.820 0.073 0.000 1.870 295 A HA -0.227 4.088 4.320 -0.008 0.000 0.219 295 A C 2.274 179.891 177.584 0.056 0.000 1.224 295 A CA 2.089 54.158 52.037 0.054 0.000 0.650 295 A CB -1.292 17.735 19.000 0.045 0.000 0.836 295 A HN 0.336 nan 8.150 nan 0.000 0.454 296 L N -0.601 120.662 121.223 0.067 0.000 1.965 296 L HA -0.228 4.107 4.340 -0.008 0.000 0.226 296 L C 2.225 179.113 176.870 0.029 0.000 1.083 296 L CA 2.719 57.592 54.840 0.054 0.000 0.790 296 L CB -0.792 41.294 42.059 0.045 0.000 0.898 296 L HN 0.395 nan 8.230 nan 0.000 0.439 297 I N -0.003 120.591 120.570 0.040 0.000 2.502 297 I HA -0.260 3.905 4.170 -0.008 0.000 0.258 297 I C 2.414 178.478 176.117 -0.089 0.000 1.172 297 I CA 1.353 62.583 61.300 -0.116 0.000 1.430 297 I CB -0.673 37.086 38.000 -0.403 0.000 1.086 297 I HN 0.480 nan 8.210 nan 0.000 0.440 298 E N 0.164 120.348 120.200 -0.027 0.000 2.204 298 E HA -0.190 4.155 4.350 -0.008 0.000 0.195 298 E C 1.605 178.199 176.600 -0.010 0.000 0.990 298 E CA 0.694 57.083 56.400 -0.017 0.000 0.821 298 E CB -0.227 29.476 29.700 0.005 0.000 0.750 298 E HN 0.618 nan 8.360 nan 0.000 0.477 299 N N 1.411 120.113 118.700 0.003 0.000 2.513 299 N HA -0.087 4.648 4.740 -0.008 0.000 0.187 299 N C 0.181 175.699 175.510 0.012 0.000 1.056 299 N CA 0.542 53.603 53.050 0.018 0.000 0.907 299 N CB -0.110 38.406 38.487 0.048 0.000 0.954 299 N HN 0.094 nan 8.380 nan 0.000 0.445 300 N N 0.589 119.283 118.700 -0.011 0.000 2.508 300 N HA 0.162 4.897 4.740 -0.008 0.000 0.285 300 N C 0.761 176.262 175.510 -0.014 0.000 1.144 300 N CA -0.326 52.717 53.050 -0.013 0.000 0.978 300 N CB 0.745 39.207 38.487 -0.042 0.000 1.180 300 N HN -0.057 nan 8.380 nan 0.000 0.484 301 N N -0.027 118.670 118.700 -0.005 0.000 2.414 301 N HA 0.060 4.795 4.740 -0.008 0.000 0.177 301 N C 1.528 177.036 175.510 -0.002 0.000 1.062 301 N CA 0.271 53.320 53.050 -0.002 0.000 0.890 301 N CB 0.028 38.518 38.487 0.005 0.000 1.070 301 N HN 0.627 nan 8.380 nan 0.000 0.454 302 G N 1.809 110.608 108.800 -0.003 0.000 2.639 302 G HA2 -0.241 3.714 3.960 -0.008 0.000 0.216 302 G HA3 -0.241 3.714 3.960 -0.008 0.000 0.216 302 G C 0.147 175.046 174.900 -0.002 0.000 1.267 302 G CA 0.237 45.338 45.100 0.001 0.000 0.801 302 G HN 0.307 nan 8.290 nan 0.000 0.592 303 R N -0.679 119.811 120.500 -0.017 0.000 3.409 303 R HA -0.149 4.186 4.340 -0.008 0.000 0.144 303 R C 0.807 177.106 176.300 -0.002 0.000 0.800 303 R CA 0.190 56.276 56.100 -0.023 0.000 0.789 303 R CB -0.072 30.201 30.300 -0.044 0.000 1.099 303 R HN 0.319 nan 8.270 nan 0.000 0.282 304 L N 1.526 122.752 121.223 0.005 0.000 2.558 304 L HA 0.111 4.446 4.340 -0.008 0.000 0.225 304 L C 1.151 178.031 176.870 0.017 0.000 1.128 304 L CA 0.760 55.612 54.840 0.021 0.000 0.868 304 L CB -0.215 41.865 42.059 0.036 0.000 1.006 304 L HN 1.062 nan 8.230 nan 0.000 0.454 305 G N 1.832 110.634 108.800 0.003 0.000 2.722 305 G HA2 -0.156 3.799 3.960 -0.008 0.000 0.686 305 G HA3 -0.156 3.799 3.960 -0.008 0.000 0.686 305 G C -0.780 174.131 174.900 0.019 0.000 1.282 305 G CA -0.131 44.973 45.100 0.007 0.000 0.817 305 G HN 0.432 nan 8.290 nan 0.000 0.605 306 K N -0.776 119.640 120.400 0.027 0.000 3.035 306 K HA 0.520 4.836 4.320 -0.008 0.000 0.330 306 K C -1.651 174.992 176.600 0.071 0.000 1.164 306 K CA -1.124 55.195 56.287 0.053 0.000 0.919 306 K CB 0.666 33.201 32.500 0.058 0.000 1.368 306 K HN 0.648 nan 8.250 nan 0.000 0.385 307 K N 2.655 123.119 120.400 0.106 0.000 2.502 307 K HA 0.377 4.692 4.320 -0.008 0.000 0.254 307 K C -0.803 175.911 176.600 0.190 0.000 0.947 307 K CA -0.739 55.626 56.287 0.130 0.000 0.834 307 K CB 1.260 33.827 32.500 0.110 0.000 1.112 307 K HN 0.523 nan 8.250 nan 0.000 0.427 308 L N 5.190 126.504 121.223 0.153 0.000 2.410 308 L HA 0.334 4.670 4.340 -0.008 0.000 0.273 308 L C -0.032 176.931 176.870 0.156 0.000 1.152 308 L CA -0.150 54.749 54.840 0.098 0.000 0.855 308 L CB 0.145 42.227 42.059 0.038 0.000 1.129 308 L HN 0.600 nan 8.230 nan 0.000 0.463 309 W N 2.364 123.642 121.300 -0.035 0.000 3.029 309 W HA 0.685 5.340 4.660 -0.008 0.000 0.339 309 W C -1.267 175.191 176.519 -0.102 0.000 1.198 309 W CA -0.857 56.455 57.345 -0.056 0.000 1.148 309 W CB 1.535 30.967 29.460 -0.047 0.000 1.451 309 W HN 0.408 nan 8.180 nan 0.000 0.564 310 T N 0.323 114.893 114.554 0.026 0.000 2.896 310 T HA 0.195 4.540 4.350 -0.008 0.000 0.297 310 T C -0.293 174.433 174.700 0.044 0.000 1.108 310 T CA -0.268 61.675 62.100 -0.262 0.000 1.004 310 T CB 1.982 70.733 68.868 -0.195 0.000 1.159 310 T HN 0.398 nan 8.240 nan 0.000 0.499 311 D N 1.403 121.740 120.400 -0.105 0.000 2.354 311 D HA 0.216 4.851 4.640 -0.008 0.000 0.209 311 D C 1.186 177.492 176.300 0.009 0.000 1.015 311 D CA 0.330 54.364 54.000 0.057 0.000 0.867 311 D CB 0.017 40.822 40.800 0.008 0.000 0.933 311 D HN 0.671 nan 8.370 nan 0.000 0.520 312 G N 0.160 108.933 108.800 -0.046 0.000 2.651 312 G HA2 0.425 4.380 3.960 -0.008 0.000 0.260 312 G HA3 0.425 4.380 3.960 -0.008 0.000 0.260 312 G C 0.081 174.979 174.900 -0.004 0.000 1.216 312 G CA -0.045 45.039 45.100 -0.028 0.000 0.913 312 G HN 0.176 nan 8.290 nan 0.000 0.535 313 A N -0.484 122.336 122.820 -0.001 0.000 2.366 313 A HA 0.295 4.610 4.320 -0.008 0.000 0.249 313 A C 1.371 178.957 177.584 0.002 0.000 1.084 313 A CA 0.114 52.154 52.037 0.006 0.000 0.794 313 A CB 0.207 19.211 19.000 0.007 0.000 1.034 313 A HN 0.663 nan 8.150 nan 0.000 0.491 314 D N 0.666 121.070 120.400 0.007 0.000 2.133 314 D HA 0.068 4.704 4.640 -0.008 0.000 0.195 314 D C 1.276 177.576 176.300 -0.001 0.000 0.997 314 D CA 2.049 56.052 54.000 0.005 0.000 0.840 314 D CB -0.444 40.361 40.800 0.009 0.000 0.947 314 D HN 1.240 nan 8.370 nan 0.000 0.452 315 G N 0.828 109.629 108.800 0.002 0.000 2.760 315 G HA2 -0.251 3.704 3.960 -0.008 0.000 0.246 315 G HA3 -0.251 3.704 3.960 -0.008 0.000 0.246 315 G C -0.494 174.408 174.900 0.003 0.000 1.359 315 G CA -0.427 44.674 45.100 0.001 0.000 0.861 315 G HN 0.209 nan 8.290 nan 0.000 0.541 316 E N 1.758 121.960 120.200 0.002 0.000 2.418 316 E HA 0.245 4.590 4.350 -0.008 0.000 0.261 316 E C -1.417 175.182 176.600 -0.002 0.000 1.070 316 E CA -0.483 55.920 56.400 0.005 0.000 0.931 316 E CB 0.673 30.376 29.700 0.005 0.000 0.954 316 E HN 0.423 nan 8.360 nan 0.000 0.439 317 P HA 0.091 nan 4.420 nan 0.000 0.275 317 P C -0.373 176.928 177.300 0.002 0.000 1.266 317 P CA -0.033 63.072 63.100 0.008 0.000 0.793 317 P CB 0.664 32.376 31.700 0.019 0.000 1.074 318 I N 0.461 121.035 120.570 0.006 0.000 2.352 318 I HA 0.105 4.270 4.170 -0.008 0.000 0.290 318 I C 0.884 177.021 176.117 0.032 0.000 1.036 318 I CA -0.149 61.153 61.300 0.004 0.000 1.336 318 I CB 0.585 38.587 38.000 0.004 0.000 1.407 318 I HN 0.195 nan 8.210 nan 0.000 0.497 319 S N 7.252 122.976 115.700 0.040 0.000 2.499 319 S HA 0.505 4.971 4.470 -0.008 0.000 0.275 319 S C -0.090 174.578 174.600 0.114 0.000 1.257 319 S CA -0.508 57.745 58.200 0.089 0.000 1.050 319 S CB 0.427 63.701 63.200 0.124 0.000 0.937 319 S HN 0.323 nan 8.310 nan 0.000 0.490 320 L N 3.648 124.935 121.223 0.107 0.000 2.330 320 L HA 0.640 4.975 4.340 -0.008 0.000 0.271 320 L C -0.942 175.944 176.870 0.027 0.000 1.013 320 L CA -0.955 53.934 54.840 0.082 0.000 0.816 320 L CB 1.299 43.419 42.059 0.101 0.000 1.287 320 L HN 0.635 nan 8.230 nan 0.000 0.435 321 Y N 1.330 121.410 120.300 -0.367 0.000 2.479 321 Y HA 0.431 4.976 4.550 -0.008 0.000 0.338 321 Y C -1.143 174.184 175.900 -0.955 0.000 1.055 321 Y CA -1.139 56.577 58.100 -0.639 0.000 1.023 321 Y CB 1.853 39.737 38.460 -0.961 0.000 1.287 321 Y HN 0.639 nan 8.280 nan 0.000 0.447 322 C N 6.257 124.725 119.300 -1.386 0.000 2.319 322 C HA 0.971 5.426 4.460 -0.008 0.000 0.323 322 C C -0.270 173.871 174.990 -1.416 0.000 1.277 322 C CA 0.080 58.410 59.018 -1.147 0.000 1.517 322 C CB -1.089 26.382 27.740 -0.447 0.000 2.206 322 C HN 0.987 nan 8.230 nan 0.000 0.486 323 A N 4.848 127.076 122.820 -0.986 0.000 2.299 323 A HA 0.832 5.147 4.320 -0.008 0.000 0.332 323 A C 0.268 177.652 177.584 -0.335 0.000 1.131 323 A CA -0.485 51.077 52.037 -0.792 0.000 0.844 323 A CB 0.426 19.247 19.000 -0.297 0.000 1.251 323 A HN 0.754 nan 8.150 nan 0.000 0.486 324 F N 1.262 121.146 119.950 -0.111 0.000 1.980 324 F HA -0.077 4.445 4.527 -0.008 0.000 0.297 324 F C 1.715 177.495 175.800 -0.034 0.000 1.225 324 F CA 1.721 59.691 58.000 -0.050 0.000 1.176 324 F CB -0.786 38.204 39.000 -0.016 0.000 0.961 324 F HN 0.716 nan 8.300 nan 0.000 0.501 325 N N 0.710 119.539 118.700 0.215 0.000 2.592 325 N HA 0.050 4.786 4.740 -0.008 0.000 0.292 325 N C 0.743 176.289 175.510 0.061 0.000 1.260 325 N CA -0.102 53.003 53.050 0.092 0.000 0.910 325 N CB 0.709 39.239 38.487 0.070 0.000 1.257 325 N HN 0.284 nan 8.380 nan 0.000 0.569 326 E N 0.504 120.723 120.200 0.031 0.000 2.219 326 E HA -0.192 4.153 4.350 -0.008 0.000 0.198 326 E C 1.466 178.084 176.600 0.029 0.000 0.998 326 E CA 1.283 57.696 56.400 0.022 0.000 0.818 326 E CB -0.668 29.031 29.700 -0.002 0.000 0.741 326 E HN 0.692 nan 8.360 nan 0.000 0.477 327 L N 0.436 121.682 121.223 0.039 0.000 2.313 327 L HA -0.014 4.321 4.340 -0.008 0.000 0.214 327 L C 2.258 179.167 176.870 0.064 0.000 1.119 327 L CA 1.192 56.056 54.840 0.040 0.000 0.809 327 L CB -0.318 41.766 42.059 0.042 0.000 0.933 327 L HN 0.053 nan 8.230 nan 0.000 0.449 328 D N 0.341 120.798 120.400 0.094 0.000 2.162 328 D HA -0.211 4.424 4.640 -0.008 0.000 0.205 328 D C 2.113 178.479 176.300 0.110 0.000 0.964 328 D CA 0.787 54.849 54.000 0.103 0.000 0.847 328 D CB 0.217 41.057 40.800 0.067 0.000 0.988 328 D HN 0.271 nan 8.370 nan 0.000 0.480 329 E N -0.125 120.140 120.200 0.109 0.000 2.130 329 E HA -0.272 4.073 4.350 -0.008 0.000 0.196 329 E C 1.846 178.509 176.600 0.105 0.000 0.998 329 E CA 1.243 57.734 56.400 0.152 0.000 0.806 329 E CB -0.144 29.614 29.700 0.096 0.000 0.738 329 E HN 0.316 nan 8.360 nan 0.000 0.459 330 A N 1.584 124.429 122.820 0.042 0.000 1.855 330 A HA -0.160 4.156 4.320 -0.008 0.000 0.215 330 A C 2.281 179.837 177.584 -0.047 0.000 1.191 330 A CA 1.421 53.446 52.037 -0.020 0.000 0.613 330 A CB -0.601 18.380 19.000 -0.031 0.000 0.829 330 A HN 0.220 nan 8.150 nan 0.000 0.442 331 R N -1.588 118.908 120.500 -0.007 0.000 2.105 331 R HA -0.176 4.159 4.340 -0.008 0.000 0.239 331 R C 1.945 178.207 176.300 -0.062 0.000 1.135 331 R CA 1.821 57.905 56.100 -0.025 0.000 0.967 331 R CB -0.473 29.840 30.300 0.022 0.000 0.861 331 R HN 0.524 nan 8.270 nan 0.000 0.442 332 F N 0.882 120.701 119.950 -0.219 0.000 2.046 332 F HA -0.230 4.293 4.527 -0.008 0.000 0.297 332 F C 2.121 177.690 175.800 -0.385 0.000 1.123 332 F CA 1.647 59.416 58.000 -0.384 0.000 1.199 332 F CB -0.675 37.904 39.000 -0.703 0.000 0.972 332 F HN -0.227 nan 8.300 nan 0.000 0.474 333 V N -0.056 119.641 119.914 -0.361 0.000 2.282 333 V HA -0.340 3.775 4.120 -0.008 0.000 0.249 333 V C 2.440 178.126 176.094 -0.680 0.000 1.057 333 V CA 1.846 63.731 62.300 -0.692 0.000 1.032 333 V CB -0.899 30.618 31.823 -0.510 0.000 0.645 333 V HN 0.324 nan 8.190 nan 0.000 0.447 334 V N 0.305 119.981 119.914 -0.398 0.000 2.332 334 V HA -0.318 3.797 4.120 -0.008 0.000 0.248 334 V C 2.067 178.004 176.094 -0.262 0.000 1.055 334 V CA 2.559 64.686 62.300 -0.289 0.000 1.038 334 V CB -1.012 30.708 31.823 -0.171 0.000 0.651 334 V HN 0.637 nan 8.190 nan 0.000 0.450 335 N N -0.476 118.062 118.700 -0.271 0.000 2.244 335 N HA -0.143 4.592 4.740 -0.008 0.000 0.183 335 N C 2.010 177.376 175.510 -0.240 0.000 1.016 335 N CA 0.635 53.556 53.050 -0.215 0.000 0.866 335 N CB -0.060 38.315 38.487 -0.188 0.000 0.980 335 N HN 0.339 nan 8.380 nan 0.000 0.430 336 R N 1.081 121.340 120.500 -0.402 0.000 2.075 336 R HA -0.018 4.317 4.340 -0.008 0.000 0.232 336 R C 2.101 178.360 176.300 -0.067 0.000 1.126 336 R CA 0.724 56.659 56.100 -0.276 0.000 0.963 336 R CB -0.769 29.313 30.300 -0.364 0.000 0.858 336 R HN 0.373 nan 8.270 nan 0.000 0.435 337 I N 1.032 121.500 120.570 -0.169 0.000 2.202 337 I HA -0.265 3.900 4.170 -0.008 0.000 0.242 337 I C 2.320 178.500 176.117 0.106 0.000 1.091 337 I CA 1.265 62.571 61.300 0.010 0.000 1.368 337 I CB -0.351 37.579 38.000 -0.116 0.000 1.058 337 I HN 0.127 nan 8.210 nan 0.000 0.410 338 K N 0.431 120.835 120.400 0.007 0.000 2.059 338 K HA -0.208 4.107 4.320 -0.008 0.000 0.212 338 K C 2.116 178.744 176.600 0.048 0.000 1.050 338 K CA 2.193 58.494 56.287 0.023 0.000 0.927 338 K CB -0.494 31.996 32.500 -0.017 0.000 0.714 338 K HN 0.346 nan 8.250 nan 0.000 0.447 339 T N 0.831 115.412 114.554 0.046 0.000 2.652 339 T HA -0.216 4.129 4.350 -0.008 0.000 0.267 339 T C 1.236 176.002 174.700 0.110 0.000 1.039 339 T CA 1.367 63.502 62.100 0.058 0.000 1.153 339 T CB -0.392 68.509 68.868 0.055 0.000 0.863 339 T HN 0.473 nan 8.240 nan 0.000 0.428 340 W N 1.894 123.189 121.300 -0.008 0.000 2.317 340 W HA -0.271 4.384 4.660 -0.008 0.000 0.318 340 W C 2.304 178.831 176.519 0.013 0.000 1.227 340 W CA 1.906 59.260 57.345 0.015 0.000 1.269 340 W CB -0.444 29.043 29.460 0.046 0.000 1.155 340 W HN 0.348 nan 8.180 nan 0.000 0.484 341 Q N 0.251 120.077 119.800 0.043 0.000 2.050 341 Q HA -0.217 4.118 4.340 -0.008 0.000 0.202 341 Q C 1.587 177.522 176.000 -0.108 0.000 0.980 341 Q CA 2.118 57.883 55.803 -0.064 0.000 0.840 341 Q CB -0.423 28.349 28.738 0.057 0.000 0.898 341 Q HN 0.109 nan 8.270 nan 0.000 0.424 342 D N 0.245 120.610 120.400 -0.057 0.000 2.378 342 D HA -0.082 4.553 4.640 -0.008 0.000 0.222 342 D C 0.472 176.718 176.300 -0.091 0.000 0.980 342 D CA 0.551 54.516 54.000 -0.058 0.000 0.907 342 D CB -0.110 40.673 40.800 -0.028 0.000 0.899 342 D HN 0.256 nan 8.370 nan 0.000 0.527 343 N N -0.459 118.149 118.700 -0.153 0.000 2.238 343 N HA 0.152 4.888 4.740 -0.008 0.000 0.222 343 N C 1.171 176.526 175.510 -0.259 0.000 1.133 343 N CA 0.425 53.368 53.050 -0.178 0.000 0.854 343 N CB 1.479 39.863 38.487 -0.171 0.000 1.041 343 N HN 0.189 nan 8.380 nan 0.000 0.510 344 G N -0.086 108.557 108.800 -0.260 0.000 2.175 344 G HA2 -0.219 3.736 3.960 -0.008 0.000 0.244 344 G HA3 -0.219 3.736 3.960 -0.008 0.000 0.244 344 G C 0.522 175.180 174.900 -0.405 0.000 0.982 344 G CA -0.112 44.834 45.100 -0.257 0.000 0.641 344 G HN 0.536 nan 8.290 nan 0.000 0.527 345 G N 0.291 108.633 108.800 -0.764 0.000 2.491 345 G HA2 0.656 4.611 3.960 -0.008 0.000 0.242 345 G HA3 0.656 4.611 3.960 -0.008 0.000 0.242 345 G C 0.496 175.149 174.900 -0.413 0.000 1.266 345 G CA 0.810 45.149 45.100 -1.268 0.000 0.844 345 G HN 1.534 nan 8.290 nan 0.000 0.571 346 A N 1.260 124.125 122.820 0.076 0.000 2.302 346 A HA 0.557 4.873 4.320 -0.008 0.000 0.285 346 A C 1.331 179.179 177.584 0.439 0.000 1.105 346 A CA -0.687 51.484 52.037 0.224 0.000 0.816 346 A CB 0.806 19.926 19.000 0.201 0.000 1.067 346 A HN 0.669 nan 8.150 nan 0.000 0.489 347 L N 1.192 122.585 121.223 0.283 0.000 2.179 347 L HA -0.074 4.261 4.340 -0.008 0.000 0.208 347 L C 2.604 179.610 176.870 0.227 0.000 1.096 347 L CA 1.346 56.344 54.840 0.264 0.000 0.779 347 L CB -0.338 41.831 42.059 0.182 0.000 0.922 347 L HN 0.829 nan 8.230 nan 0.000 0.443 348 A N -0.473 122.476 122.820 0.215 0.000 2.239 348 A HA -0.092 4.223 4.320 -0.008 0.000 0.209 348 A C 1.564 179.305 177.584 0.260 0.000 1.171 348 A CA 0.828 52.991 52.037 0.209 0.000 0.768 348 A CB -0.360 18.741 19.000 0.168 0.000 0.790 348 A HN 0.427 nan 8.150 nan 0.000 0.478 349 E N -1.352 119.014 120.200 0.278 0.000 2.558 349 E HA 0.186 4.531 4.350 -0.008 0.000 0.205 349 E C -1.016 175.636 176.600 0.087 0.000 1.006 349 E CA -0.348 56.214 56.400 0.269 0.000 0.961 349 E CB 0.424 30.339 29.700 0.358 0.000 1.044 349 E HN 0.487 nan 8.360 nan 0.000 0.465 350 C N 1.087 120.413 119.300 0.043 0.000 2.408 350 C HA 0.820 5.275 4.460 -0.008 0.000 0.321 350 C C -0.081 174.790 174.990 -0.197 0.000 1.245 350 C CA -0.664 58.293 59.018 -0.101 0.000 1.523 350 C CB 0.881 28.607 27.740 -0.024 0.000 2.178 350 C HN 0.346 nan 8.230 nan 0.000 0.488 351 A N 3.807 126.411 122.820 -0.360 0.000 2.374 351 A HA 0.849 5.165 4.320 -0.008 0.000 0.305 351 A C -0.972 176.463 177.584 -0.249 0.000 1.053 351 A CA -0.357 51.314 52.037 -0.611 0.000 0.726 351 A CB 0.644 18.639 19.000 -1.674 0.000 1.229 351 A HN 0.819 nan 8.150 nan 0.000 0.431 352 I N 3.696 124.163 120.570 -0.172 0.000 2.328 352 I HA 0.284 4.449 4.170 -0.008 0.000 0.287 352 I C -0.639 175.356 176.117 -0.202 0.000 1.012 352 I CA -0.181 61.087 61.300 -0.053 0.000 1.195 352 I CB 0.940 38.932 38.000 -0.013 0.000 1.350 352 I HN 0.493 nan 8.210 nan 0.000 0.464 353 L N 7.326 128.430 121.223 -0.198 0.000 2.343 353 L HA 0.558 4.894 4.340 -0.008 0.000 0.275 353 L C -0.861 175.861 176.870 -0.246 0.000 1.056 353 L CA -0.908 53.718 54.840 -0.358 0.000 0.804 353 L CB 0.976 42.889 42.059 -0.242 0.000 1.203 353 L HN 0.454 nan 8.230 nan 0.000 0.440 354 Y N -0.551 119.708 120.300 -0.069 0.000 2.562 354 Y HA 0.586 5.131 4.550 -0.008 0.000 0.345 354 Y C 0.291 176.099 175.900 -0.153 0.000 1.045 354 Y CA -1.612 56.433 58.100 -0.091 0.000 1.028 354 Y CB 1.197 39.621 38.460 -0.060 0.000 1.297 354 Y HN 0.346 nan 8.280 nan 0.000 0.463 355 R N 0.937 121.431 120.500 -0.010 0.000 2.075 355 R HA 0.259 4.595 4.340 -0.008 0.000 0.226 355 R C -0.478 175.820 176.300 -0.004 0.000 1.114 355 R CA 1.336 57.331 56.100 -0.175 0.000 0.972 355 R CB -0.083 29.990 30.300 -0.379 0.000 0.869 355 R HN 0.719 nan 8.270 nan 0.000 0.437 356 S N 0.335 116.058 115.700 0.040 0.000 2.503 356 S HA 0.292 4.757 4.470 -0.008 0.000 0.301 356 S C -0.106 174.470 174.600 -0.040 0.000 1.087 356 S CA -0.892 57.307 58.200 -0.001 0.000 1.042 356 S CB 1.718 64.894 63.200 -0.040 0.000 1.043 356 S HN 0.238 nan 8.310 nan 0.000 0.489 357 N N 1.951 120.631 118.700 -0.035 0.000 2.348 357 N HA -0.154 4.581 4.740 -0.008 0.000 0.185 357 N C 1.843 177.220 175.510 -0.222 0.000 1.019 357 N CA 1.094 54.077 53.050 -0.112 0.000 0.880 357 N CB -0.403 38.071 38.487 -0.020 0.000 0.965 357 N HN 0.746 nan 8.380 nan 0.000 0.437 358 A N 1.533 124.270 122.820 -0.139 0.000 1.927 358 A HA -0.227 4.089 4.320 -0.008 0.000 0.220 358 A C 2.032 179.505 177.584 -0.186 0.000 1.185 358 A CA 1.457 53.428 52.037 -0.111 0.000 0.639 358 A CB -0.706 18.271 19.000 -0.037 0.000 0.820 358 A HN 0.368 nan 8.150 nan 0.000 0.451 359 Q N 0.218 119.852 119.800 -0.277 0.000 2.541 359 Q HA -0.066 4.269 4.340 -0.008 0.000 0.215 359 Q C 2.106 177.838 176.000 -0.447 0.000 0.977 359 Q CA 1.020 56.638 55.803 -0.309 0.000 0.934 359 Q CB -0.175 28.424 28.738 -0.233 0.000 0.988 359 Q HN 0.919 nan 8.270 nan 0.000 0.521 360 S N -0.030 115.331 115.700 -0.565 0.000 2.377 360 S HA -0.125 4.341 4.470 -0.008 0.000 0.223 360 S C 1.802 176.269 174.600 -0.222 0.000 1.030 360 S CA 0.256 58.181 58.200 -0.459 0.000 0.970 360 S CB -0.160 62.793 63.200 -0.412 0.000 0.830 360 S HN 0.308 nan 8.310 nan 0.000 0.473 361 R N 1.339 121.741 120.500 -0.163 0.000 2.179 361 R HA -0.169 4.166 4.340 -0.008 0.000 0.238 361 R C 2.100 178.344 176.300 -0.094 0.000 1.119 361 R CA 2.546 58.588 56.100 -0.097 0.000 0.915 361 R CB -1.182 29.077 30.300 -0.069 0.000 0.870 361 R HN 0.384 nan 8.270 nan 0.000 0.432 362 V N 1.466 121.325 119.914 -0.090 0.000 2.324 362 V HA -0.293 3.822 4.120 -0.008 0.000 0.250 362 V C 2.490 178.530 176.094 -0.090 0.000 1.060 362 V CA 2.066 64.322 62.300 -0.072 0.000 1.042 362 V CB -0.540 31.248 31.823 -0.057 0.000 0.650 362 V HN 0.365 nan 8.190 nan 0.000 0.450 363 L N -0.418 120.732 121.223 -0.122 0.000 2.046 363 L HA -0.187 4.148 4.340 -0.008 0.000 0.208 363 L C 2.654 179.387 176.870 -0.229 0.000 1.077 363 L CA 1.747 56.496 54.840 -0.150 0.000 0.747 363 L CB -0.606 41.374 42.059 -0.131 0.000 0.896 363 L HN 0.391 nan 8.230 nan 0.000 0.432 364 E N 0.032 120.073 120.200 -0.265 0.000 2.031 364 E HA -0.259 4.086 4.350 -0.008 0.000 0.193 364 E C 2.069 178.578 176.600 -0.152 0.000 0.994 364 E CA 1.449 57.638 56.400 -0.352 0.000 0.800 364 E CB -0.117 29.474 29.700 -0.182 0.000 0.752 364 E HN 0.480 nan 8.360 nan 0.000 0.447 365 E N 0.898 121.053 120.200 -0.074 0.000 2.070 365 E HA -0.237 4.108 4.350 -0.008 0.000 0.197 365 E C 2.031 178.610 176.600 -0.034 0.000 1.004 365 E CA 1.367 57.751 56.400 -0.027 0.000 0.805 365 E CB -0.221 29.466 29.700 -0.020 0.000 0.744 365 E HN 0.294 nan 8.360 nan 0.000 0.451 366 A N 0.650 123.432 122.820 -0.063 0.000 1.908 366 A HA -0.201 4.114 4.320 -0.008 0.000 0.218 366 A C 2.195 179.739 177.584 -0.066 0.000 1.181 366 A CA 1.314 53.315 52.037 -0.061 0.000 0.627 366 A CB -0.663 18.291 19.000 -0.076 0.000 0.818 366 A HN 0.171 nan 8.150 nan 0.000 0.445 367 L N -1.141 120.017 121.223 -0.109 0.000 2.023 367 L HA -0.133 4.202 4.340 -0.008 0.000 0.205 367 L C 2.625 179.514 176.870 0.033 0.000 1.073 367 L CA 1.015 55.809 54.840 -0.077 0.000 0.745 367 L CB -0.518 41.411 42.059 -0.216 0.000 0.900 367 L HN 0.361 nan 8.230 nan 0.000 0.435 368 L N -0.586 120.678 121.223 0.068 0.000 1.990 368 L HA -0.304 4.031 4.340 -0.008 0.000 0.213 368 L C 2.686 179.591 176.870 0.057 0.000 1.072 368 L CA 1.571 56.480 54.840 0.115 0.000 0.755 368 L CB -0.476 41.655 42.059 0.121 0.000 0.889 368 L HN 0.283 nan 8.230 nan 0.000 0.432 369 Q N -0.792 119.025 119.800 0.029 0.000 2.197 369 Q HA -0.205 4.130 4.340 -0.008 0.000 0.207 369 Q C 1.969 177.979 176.000 0.017 0.000 0.984 369 Q CA 1.648 57.462 55.803 0.018 0.000 0.869 369 Q CB -0.251 28.491 28.738 0.007 0.000 0.906 369 Q HN 0.587 nan 8.270 nan 0.000 0.426 370 A N -0.384 122.444 122.820 0.014 0.000 2.278 370 A HA 0.116 4.431 4.320 -0.008 0.000 0.212 370 A C 0.656 178.256 177.584 0.026 0.000 1.213 370 A CA 0.322 52.365 52.037 0.011 0.000 0.840 370 A CB 0.137 19.133 19.000 -0.007 0.000 0.866 370 A HN 0.186 nan 8.150 nan 0.000 0.489 371 S N -1.752 113.973 115.700 0.041 0.000 3.587 371 S HA -0.208 4.257 4.470 -0.008 0.000 0.337 371 S C 0.146 174.782 174.600 0.060 0.000 1.119 371 S CA 1.156 59.385 58.200 0.048 0.000 0.976 371 S CB -1.785 61.434 63.200 0.032 0.000 0.922 371 S HN 0.780 nan 8.310 nan 0.000 0.503 372 M N 1.843 121.492 119.600 0.081 0.000 2.063 372 M HA 0.304 4.779 4.480 -0.008 0.000 0.348 372 M C -2.577 173.826 176.300 0.171 0.000 1.180 372 M CA -2.038 53.320 55.300 0.097 0.000 1.059 372 M CB 0.855 33.494 32.600 0.066 0.000 1.544 372 M HN -0.177 nan 8.290 nan 0.000 0.447 373 P HA 0.087 nan 4.420 nan 0.000 0.267 373 P C -1.821 175.596 177.300 0.195 0.000 1.200 373 P CA 0.421 63.581 63.100 0.100 0.000 0.772 373 P CB 0.219 31.953 31.700 0.057 0.000 0.855 374 Y N -0.723 119.596 120.300 0.032 0.000 2.713 374 Y HA 0.710 5.255 4.550 -0.008 0.000 0.335 374 Y C -1.275 174.640 175.900 0.025 0.000 1.222 374 Y CA -1.478 56.645 58.100 0.038 0.000 1.061 374 Y CB 1.404 39.882 38.460 0.029 0.000 1.314 374 Y HN 0.295 nan 8.280 nan 0.000 0.453 375 R N 2.381 122.997 120.500 0.193 0.000 2.574 375 R HA 0.721 5.057 4.340 -0.008 0.000 0.288 375 R C -1.929 174.441 176.300 0.118 0.000 1.004 375 R CA -0.633 55.467 56.100 -0.001 0.000 0.895 375 R CB 1.567 31.822 30.300 -0.075 0.000 1.191 375 R HN 0.865 nan 8.270 nan 0.000 0.444 376 I N 3.668 124.241 120.570 0.006 0.000 2.498 376 I HA 0.295 4.460 4.170 -0.008 0.000 0.301 376 I C -0.841 175.162 176.117 -0.190 0.000 0.984 376 I CA -1.040 60.319 61.300 0.098 0.000 1.204 376 I CB 1.548 39.665 38.000 0.196 0.000 1.362 376 I HN 0.649 nan 8.210 nan 0.000 0.471 377 Y N 3.612 123.990 120.300 0.130 0.000 2.915 377 Y HA 0.407 4.952 4.550 -0.008 0.000 0.350 377 Y C 0.837 176.808 175.900 0.117 0.000 1.061 377 Y CA -0.561 57.600 58.100 0.102 0.000 1.179 377 Y CB 1.068 39.577 38.460 0.082 0.000 1.180 377 Y HN 0.687 nan 8.280 nan 0.000 0.605 378 G N 0.239 109.138 108.800 0.166 0.000 2.543 378 G HA2 0.496 4.451 3.960 -0.008 0.000 0.221 378 G HA3 0.496 4.451 3.960 -0.008 0.000 0.221 378 G C 0.485 175.454 174.900 0.116 0.000 1.902 378 G CA 0.392 45.583 45.100 0.151 0.000 0.838 378 G HN 0.651 nan 8.290 nan 0.000 0.650 379 G N -2.248 106.599 108.800 0.078 0.000 3.166 379 G HA2 0.485 4.441 3.960 -0.008 0.000 0.267 379 G HA3 0.485 4.441 3.960 -0.008 0.000 0.267 379 G C -0.524 174.405 174.900 0.048 0.000 1.256 379 G CA -0.551 44.589 45.100 0.066 0.000 0.859 379 G HN 0.689 nan 8.290 nan 0.000 0.590 380 M N -0.558 119.066 119.600 0.041 0.000 3.994 380 M HA 0.034 4.509 4.480 -0.008 0.000 0.157 380 M C 0.606 176.925 176.300 0.031 0.000 1.524 380 M CA 0.434 55.749 55.300 0.025 0.000 1.081 380 M CB -1.567 31.039 32.600 0.011 0.000 1.342 380 M HN 1.315 nan 8.290 nan 0.000 0.250 381 R N 2.673 123.197 120.500 0.041 0.000 2.583 381 R HA 0.628 4.963 4.340 -0.008 0.000 0.268 381 R C 0.678 177.004 176.300 0.043 0.000 1.101 381 R CA 0.352 56.491 56.100 0.065 0.000 1.180 381 R CB -0.258 30.093 30.300 0.086 0.000 1.128 381 R HN 0.769 nan 8.270 nan 0.000 0.568 382 F N 0.044 119.928 119.950 -0.110 0.000 2.102 382 F HA 0.013 4.536 4.527 -0.008 0.000 0.298 382 F C 1.475 177.117 175.800 -0.263 0.000 1.105 382 F CA 1.590 59.443 58.000 -0.244 0.000 1.239 382 F CB -0.136 38.607 39.000 -0.429 0.000 0.991 382 F HN 0.496 nan 8.300 nan 0.000 0.474 383 F N 0.421 120.376 119.950 0.008 0.000 2.795 383 F HA 0.031 4.554 4.527 -0.008 0.000 0.303 383 F C 1.513 177.240 175.800 -0.122 0.000 1.186 383 F CA 0.420 58.357 58.000 -0.105 0.000 1.415 383 F CB -0.279 38.709 39.000 -0.020 0.000 1.106 383 F HN 0.096 nan 8.300 nan 0.000 0.558 384 E N -0.736 119.461 120.200 -0.006 0.000 2.511 384 E HA 0.116 4.461 4.350 -0.008 0.000 0.209 384 E C 0.550 177.113 176.600 -0.060 0.000 0.986 384 E CA -0.229 56.172 56.400 0.001 0.000 0.974 384 E CB 0.477 30.197 29.700 0.034 0.000 1.030 384 E HN 0.250 nan 8.360 nan 0.000 0.490 385 R N 1.508 121.911 120.500 -0.162 0.000 2.694 385 R HA -0.013 4.323 4.340 -0.008 0.000 0.268 385 R C 1.490 177.712 176.300 -0.130 0.000 1.061 385 R CA 0.173 56.174 56.100 -0.164 0.000 1.133 385 R CB 0.389 30.524 30.300 -0.274 0.000 1.020 385 R HN 0.219 nan 8.270 nan 0.000 0.475 386 Q N 1.881 121.637 119.800 -0.075 0.000 2.084 386 Q HA -0.209 4.126 4.340 -0.008 0.000 0.202 386 Q C 1.318 177.287 176.000 -0.052 0.000 0.978 386 Q CA 1.607 57.397 55.803 -0.022 0.000 0.844 386 Q CB -0.125 28.642 28.738 0.048 0.000 0.898 386 Q HN 0.677 nan 8.270 nan 0.000 0.426 387 E N 1.093 121.174 120.200 -0.199 0.000 2.153 387 E HA -0.182 4.163 4.350 -0.008 0.000 0.194 387 E C 1.931 178.403 176.600 -0.213 0.000 0.988 387 E CA 1.055 57.219 56.400 -0.392 0.000 0.811 387 E CB -0.231 29.001 29.700 -0.779 0.000 0.746 387 E HN 0.455 nan 8.360 nan 0.000 0.466 388 I N 1.590 122.027 120.570 -0.222 0.000 2.333 388 I HA -0.106 4.059 4.170 -0.008 0.000 0.246 388 I C 2.317 178.432 176.117 -0.005 0.000 1.106 388 I CA 0.926 62.128 61.300 -0.163 0.000 1.411 388 I CB -0.840 36.923 38.000 -0.396 0.000 1.082 388 I HN 0.075 nan 8.210 nan 0.000 0.420 389 K N 0.681 121.078 120.400 -0.006 0.000 2.097 389 K HA -0.161 4.154 4.320 -0.008 0.000 0.205 389 K C 1.682 178.330 176.600 0.080 0.000 1.050 389 K CA 1.260 57.573 56.287 0.044 0.000 0.938 389 K CB -0.064 32.453 32.500 0.028 0.000 0.718 389 K HN 0.233 nan 8.250 nan 0.000 0.442 390 D N 0.960 121.421 120.400 0.101 0.000 2.084 390 D HA -0.154 4.481 4.640 -0.008 0.000 0.194 390 D C 1.899 178.374 176.300 0.291 0.000 0.990 390 D CA 1.508 55.618 54.000 0.183 0.000 0.826 390 D CB -0.343 40.608 40.800 0.251 0.000 0.971 390 D HN 0.174 nan 8.370 nan 0.000 0.453 391 A N 0.881 123.840 122.820 0.231 0.000 1.873 391 A HA -0.177 4.138 4.320 -0.008 0.000 0.218 391 A C 2.449 180.181 177.584 0.248 0.000 1.193 391 A CA 1.300 53.479 52.037 0.236 0.000 0.629 391 A CB -0.986 18.089 19.000 0.125 0.000 0.826 391 A HN 0.239 nan 8.150 nan 0.000 0.447 392 L N -0.377 120.958 121.223 0.187 0.000 2.079 392 L HA -0.184 4.151 4.340 -0.008 0.000 0.210 392 L C 2.763 179.709 176.870 0.127 0.000 1.081 392 L CA 1.522 56.458 54.840 0.160 0.000 0.752 392 L CB -0.576 41.557 42.059 0.124 0.000 0.896 392 L HN 0.327 nan 8.230 nan 0.000 0.433 393 S N -1.358 114.405 115.700 0.105 0.000 2.419 393 S HA -0.172 4.293 4.470 -0.008 0.000 0.233 393 S C 1.782 176.390 174.600 0.013 0.000 1.016 393 S CA 1.154 59.373 58.200 0.033 0.000 0.974 393 S CB -0.279 62.906 63.200 -0.025 0.000 0.786 393 S HN 0.360 nan 8.310 nan 0.000 0.492 394 Y N 1.226 121.573 120.300 0.079 0.000 2.243 394 Y HA 0.105 4.650 4.550 -0.008 0.000 0.293 394 Y C 2.080 178.002 175.900 0.038 0.000 1.124 394 Y CA 0.699 58.842 58.100 0.073 0.000 1.159 394 Y CB -0.296 38.208 38.460 0.074 0.000 1.008 394 Y HN 0.132 nan 8.280 nan 0.000 0.527 395 L N -0.462 120.884 121.223 0.205 0.000 2.046 395 L HA -0.256 4.079 4.340 -0.008 0.000 0.208 395 L C 2.443 179.349 176.870 0.061 0.000 1.077 395 L CA 1.378 56.285 54.840 0.111 0.000 0.747 395 L CB -0.468 41.656 42.059 0.107 0.000 0.896 395 L HN 0.143 nan 8.230 nan 0.000 0.432 396 R N -0.132 120.402 120.500 0.055 0.000 2.105 396 R HA -0.170 4.166 4.340 -0.008 0.000 0.239 396 R C 2.263 178.558 176.300 -0.008 0.000 1.135 396 R CA 1.284 57.392 56.100 0.014 0.000 0.967 396 R CB -0.357 29.952 30.300 0.014 0.000 0.861 396 R HN 0.340 nan 8.270 nan 0.000 0.442 397 L N 0.132 121.356 121.223 0.002 0.000 2.156 397 L HA -0.117 4.218 4.340 -0.008 0.000 0.208 397 L C 2.219 179.027 176.870 -0.102 0.000 1.095 397 L CA 0.878 55.694 54.840 -0.040 0.000 0.770 397 L CB -0.184 41.874 42.059 -0.002 0.000 0.914 397 L HN 0.206 nan 8.230 nan 0.000 0.439 398 I N -0.453 120.090 120.570 -0.045 0.000 2.315 398 I HA -0.236 3.930 4.170 -0.008 0.000 0.248 398 I C 2.665 178.735 176.117 -0.079 0.000 1.117 398 I CA 1.338 62.602 61.300 -0.059 0.000 1.404 398 I CB -0.419 37.574 38.000 -0.011 0.000 1.071 398 I HN 0.177 nan 8.210 nan 0.000 0.419 399 V N 0.335 120.213 119.914 -0.061 0.000 2.307 399 V HA -0.146 3.969 4.120 -0.008 0.000 0.245 399 V C 0.953 176.989 176.094 -0.097 0.000 1.045 399 V CA 2.115 64.374 62.300 -0.067 0.000 1.024 399 V CB -0.351 31.439 31.823 -0.055 0.000 0.651 399 V HN 0.501 nan 8.190 nan 0.000 0.449 400 N N -1.358 117.274 118.700 -0.113 0.000 2.549 400 N HA 0.349 5.085 4.740 -0.008 0.000 0.290 400 N C 0.188 175.577 175.510 -0.202 0.000 1.122 400 N CA -0.637 52.327 53.050 -0.142 0.000 0.885 400 N CB 1.510 39.944 38.487 -0.088 0.000 1.455 400 N HN 0.072 nan 8.380 nan 0.000 0.521 401 R N 1.425 121.698 120.500 -0.377 0.000 2.303 401 R HA 0.132 4.467 4.340 -0.008 0.000 0.225 401 R C 0.362 176.487 176.300 -0.292 0.000 1.114 401 R CA 0.692 56.407 56.100 -0.642 0.000 1.007 401 R CB -0.278 29.168 30.300 -1.422 0.000 0.861 401 R HN 0.573 nan 8.270 nan 0.000 0.471 402 N N 0.437 119.047 118.700 -0.149 0.000 2.268 402 N HA -0.059 4.676 4.740 -0.008 0.000 0.204 402 N C -0.450 175.064 175.510 0.006 0.000 1.124 402 N CA 0.118 53.145 53.050 -0.038 0.000 0.838 402 N CB 0.326 38.791 38.487 -0.037 0.000 0.994 402 N HN 0.095 nan 8.380 nan 0.000 0.489 403 D N 1.662 122.077 120.400 0.025 0.000 2.545 403 D HA 0.010 4.646 4.640 -0.008 0.000 0.227 403 D C 0.436 176.804 176.300 0.114 0.000 1.150 403 D CA -0.170 53.860 54.000 0.051 0.000 1.046 403 D CB 0.302 41.125 40.800 0.038 0.000 1.098 403 D HN -0.012 nan 8.370 nan 0.000 0.502 404 D N 2.183 122.632 120.400 0.082 0.000 2.149 404 D HA -0.232 4.403 4.640 -0.008 0.000 0.194 404 D C 1.845 178.237 176.300 0.153 0.000 1.001 404 D CA 1.572 55.634 54.000 0.104 0.000 0.849 404 D CB -0.059 40.764 40.800 0.038 0.000 0.939 404 D HN 0.535 nan 8.370 nan 0.000 0.449 405 A N 0.720 123.600 122.820 0.099 0.000 1.902 405 A HA -0.050 4.265 4.320 -0.008 0.000 0.217 405 A C 2.310 179.951 177.584 0.095 0.000 1.181 405 A CA 2.408 54.498 52.037 0.087 0.000 0.623 405 A CB -0.694 18.337 19.000 0.051 0.000 0.818 405 A HN 0.264 nan 8.150 nan 0.000 0.443 406 A N -1.555 121.325 122.820 0.099 0.000 1.929 406 A HA 0.075 4.390 4.320 -0.008 0.000 0.216 406 A C 2.035 179.683 177.584 0.108 0.000 1.176 406 A CA 1.326 53.407 52.037 0.074 0.000 0.628 406 A CB -0.621 18.413 19.000 0.057 0.000 0.816 406 A HN 0.607 nan 8.150 nan 0.000 0.444 407 F N 0.585 120.575 119.950 0.067 0.000 2.051 407 F HA -0.150 4.372 4.527 -0.008 0.000 0.296 407 F C 2.311 178.135 175.800 0.039 0.000 1.122 407 F CA 2.181 60.259 58.000 0.129 0.000 1.201 407 F CB -0.194 38.925 39.000 0.199 0.000 0.978 407 F HN 0.326 nan 8.300 nan 0.000 0.472 408 E N 0.199 120.630 120.200 0.385 0.000 2.171 408 E HA -0.300 4.045 4.350 -0.008 0.000 0.197 408 E C 2.443 179.063 176.600 0.033 0.000 0.997 408 E CA 1.165 57.693 56.400 0.214 0.000 0.810 408 E CB -0.206 29.599 29.700 0.175 0.000 0.738 408 E HN 0.383 nan 8.360 nan 0.000 0.467 409 R N 0.173 120.679 120.500 0.011 0.000 2.073 409 R HA -0.095 4.241 4.340 -0.008 0.000 0.229 409 R C 2.091 178.328 176.300 -0.104 0.000 1.120 409 R CA 1.640 57.722 56.100 -0.030 0.000 0.967 409 R CB 0.195 30.491 30.300 -0.006 0.000 0.862 409 R HN 0.197 nan 8.270 nan 0.000 0.436 410 V N -2.401 117.383 119.914 -0.216 0.000 3.276 410 V HA 0.143 4.258 4.120 -0.008 0.000 0.319 410 V C 1.573 177.365 176.094 -0.504 0.000 1.427 410 V CA -0.003 62.108 62.300 -0.316 0.000 1.102 410 V CB 0.372 31.846 31.823 -0.580 0.000 1.020 410 V HN 0.048 nan 8.190 nan 0.000 0.456 411 V N 2.096 121.587 119.914 -0.705 0.000 2.332 411 V HA -0.179 3.937 4.120 -0.008 0.000 0.248 411 V C 1.852 177.413 176.094 -0.889 0.000 1.055 411 V CA 2.942 64.455 62.300 -1.311 0.000 1.038 411 V CB -0.315 30.755 31.823 -1.255 0.000 0.651 411 V HN 0.778 nan 8.190 nan 0.000 0.450 412 N N -0.727 117.702 118.700 -0.452 0.000 2.338 412 N HA 0.139 4.874 4.740 -0.008 0.000 0.251 412 N C -0.652 174.770 175.510 -0.148 0.000 1.199 412 N CA 0.075 52.964 53.050 -0.269 0.000 0.879 412 N CB 0.440 38.813 38.487 -0.189 0.000 1.159 412 N HN 0.388 nan 8.380 nan 0.000 0.514 413 T N 1.519 116.001 114.554 -0.121 0.000 2.912 413 T HA 0.403 4.748 4.350 -0.008 0.000 0.326 413 T C -2.681 172.085 174.700 0.111 0.000 1.080 413 T CA -1.222 60.869 62.100 -0.016 0.000 1.000 413 T CB 1.900 70.768 68.868 0.000 0.000 1.008 413 T HN 0.031 nan 8.240 nan 0.000 0.473 414 P HA 0.160 nan 4.420 nan 0.000 0.274 414 P C 0.208 177.492 177.300 -0.026 0.000 1.260 414 P CA -0.468 62.633 63.100 0.001 0.000 0.793 414 P CB 0.211 31.911 31.700 -0.001 0.000 1.048 415 T N -1.609 112.919 114.554 -0.045 0.000 2.888 415 T HA 0.225 4.571 4.350 -0.008 0.000 0.301 415 T C 0.481 175.157 174.700 -0.040 0.000 1.001 415 T CA -0.327 61.742 62.100 -0.053 0.000 1.147 415 T CB -0.073 68.766 68.868 -0.047 0.000 0.931 415 T HN 0.532 nan 8.240 nan 0.000 0.541 416 R N 1.670 122.138 120.500 -0.053 0.000 2.615 416 R HA 0.507 4.842 4.340 -0.008 0.000 0.448 416 R C 1.170 177.449 176.300 -0.036 0.000 1.009 416 R CA -0.526 55.556 56.100 -0.030 0.000 1.111 416 R CB -0.336 29.959 30.300 -0.009 0.000 1.461 416 R HN 1.022 nan 8.270 nan 0.000 0.587 417 G N 1.294 110.067 108.800 -0.044 0.000 2.143 417 G HA2 -0.254 3.701 3.960 -0.008 0.000 0.249 417 G HA3 -0.254 3.701 3.960 -0.008 0.000 0.249 417 G C -0.117 174.755 174.900 -0.047 0.000 0.981 417 G CA 0.123 45.201 45.100 -0.037 0.000 0.665 417 G HN 0.269 nan 8.290 nan 0.000 0.528 418 I N 2.675 123.199 120.570 -0.078 0.000 2.268 418 I HA 0.510 4.675 4.170 -0.008 0.000 0.290 418 I C 1.462 177.539 176.117 -0.067 0.000 1.125 418 I CA 0.119 61.370 61.300 -0.081 0.000 1.236 418 I CB 0.548 38.463 38.000 -0.142 0.000 1.469 418 I HN 0.217 nan 8.210 nan 0.000 0.512 419 G N 3.032 111.807 108.800 -0.041 0.000 2.583 419 G HA2 0.034 3.990 3.960 -0.008 0.000 0.275 419 G HA3 0.034 3.990 3.960 -0.008 0.000 0.275 419 G C 0.653 175.541 174.900 -0.021 0.000 1.342 419 G CA -0.278 44.803 45.100 -0.031 0.000 1.030 419 G HN 0.521 nan 8.290 nan 0.000 0.520 420 D N -0.510 119.881 120.400 -0.014 0.000 2.149 420 D HA -0.058 4.577 4.640 -0.008 0.000 0.201 420 D C 2.580 178.879 176.300 -0.001 0.000 0.972 420 D CA 0.601 54.597 54.000 -0.006 0.000 0.835 420 D CB 0.092 40.890 40.800 -0.004 0.000 0.966 420 D HN 0.342 nan 8.370 nan 0.000 0.476 421 R N 0.456 120.954 120.500 -0.004 0.000 2.092 421 R HA -0.045 4.290 4.340 -0.008 0.000 0.231 421 R C 2.284 178.584 176.300 -0.001 0.000 1.119 421 R CA 1.039 57.138 56.100 -0.002 0.000 0.970 421 R CB -0.437 29.861 30.300 -0.003 0.000 0.864 421 R HN 0.090 nan 8.270 nan 0.000 0.440 422 T N 1.723 116.275 114.554 -0.003 0.000 2.668 422 T HA -0.057 4.288 4.350 -0.008 0.000 0.262 422 T C 1.916 176.621 174.700 0.009 0.000 1.045 422 T CA 0.948 63.048 62.100 -0.000 0.000 1.152 422 T CB -0.163 68.702 68.868 -0.005 0.000 0.864 422 T HN 0.097 nan 8.240 nan 0.000 0.419 423 L N 0.940 122.171 121.223 0.013 0.000 2.191 423 L HA -0.123 4.213 4.340 -0.008 0.000 0.212 423 L C 2.349 179.234 176.870 0.025 0.000 1.103 423 L CA 1.026 55.886 54.840 0.032 0.000 0.769 423 L CB -0.390 41.689 42.059 0.033 0.000 0.908 423 L HN 0.196 nan 8.230 nan 0.000 0.438 424 D N -0.807 119.602 120.400 0.014 0.000 2.144 424 D HA -0.134 4.501 4.640 -0.008 0.000 0.200 424 D C 2.289 178.593 176.300 0.006 0.000 0.978 424 D CA 1.030 55.037 54.000 0.011 0.000 0.833 424 D CB 0.075 40.879 40.800 0.007 0.000 0.961 424 D HN 0.117 nan 8.370 nan 0.000 0.470 425 V N 0.527 120.442 119.914 0.003 0.000 2.307 425 V HA -0.183 3.933 4.120 -0.008 0.000 0.245 425 V C 2.653 178.744 176.094 -0.006 0.000 1.045 425 V CA 0.895 63.194 62.300 -0.002 0.000 1.024 425 V CB -0.315 31.506 31.823 -0.003 0.000 0.651 425 V HN 0.038 nan 8.190 nan 0.000 0.449 426 V N -0.096 119.816 119.914 -0.003 0.000 2.255 426 V HA -0.283 3.832 4.120 -0.008 0.000 0.247 426 V C 2.564 178.644 176.094 -0.023 0.000 1.051 426 V CA 2.188 64.479 62.300 -0.015 0.000 1.018 426 V CB -0.771 31.053 31.823 0.003 0.000 0.641 426 V HN 0.450 nan 8.190 nan 0.000 0.445 427 R N -0.527 119.971 120.500 -0.004 0.000 2.152 427 R HA -0.179 4.156 4.340 -0.008 0.000 0.232 427 R C 2.397 178.693 176.300 -0.007 0.000 1.117 427 R CA 1.373 57.471 56.100 -0.003 0.000 0.981 427 R CB -0.238 30.072 30.300 0.017 0.000 0.870 427 R HN 0.617 nan 8.270 nan 0.000 0.451 428 Q N 0.096 119.892 119.800 -0.006 0.000 2.096 428 Q HA -0.083 4.252 4.340 -0.008 0.000 0.197 428 Q C 1.355 177.348 176.000 -0.012 0.000 0.964 428 Q CA 1.479 57.278 55.803 -0.007 0.000 0.838 428 Q CB 0.188 28.923 28.738 -0.005 0.000 0.906 428 Q HN 0.185 nan 8.270 nan 0.000 0.444 429 T N 0.747 115.291 114.554 -0.017 0.000 2.759 429 T HA -0.095 4.250 4.350 -0.008 0.000 0.269 429 T C 2.006 176.692 174.700 -0.023 0.000 1.042 429 T CA 1.467 63.555 62.100 -0.020 0.000 1.140 429 T CB -0.180 68.673 68.868 -0.025 0.000 0.864 429 T HN 0.217 nan 8.240 nan 0.000 0.455 430 S N 0.362 116.044 115.700 -0.030 0.000 2.399 430 S HA -0.029 4.436 4.470 -0.008 0.000 0.231 430 S C 2.130 176.718 174.600 -0.020 0.000 1.022 430 S CA 0.722 58.903 58.200 -0.032 0.000 0.983 430 S CB -0.133 63.040 63.200 -0.044 0.000 0.803 430 S HN 0.339 nan 8.310 nan 0.000 0.480 431 R N 1.109 121.600 120.500 -0.015 0.000 2.056 431 R HA -0.062 4.273 4.340 -0.008 0.000 0.227 431 R C 1.609 177.902 176.300 -0.012 0.000 1.149 431 R CA 1.586 57.679 56.100 -0.011 0.000 0.937 431 R CB -0.582 29.713 30.300 -0.008 0.000 0.835 431 R HN 0.339 nan 8.270 nan 0.000 0.430 432 D N 0.305 120.698 120.400 -0.012 0.000 2.149 432 D HA -0.155 4.481 4.640 -0.008 0.000 0.198 432 D C 1.366 177.660 176.300 -0.011 0.000 0.990 432 D CA 1.285 55.278 54.000 -0.011 0.000 0.839 432 D CB -0.069 40.725 40.800 -0.011 0.000 0.948 432 D HN 0.251 nan 8.370 nan 0.000 0.460 433 R N 0.354 120.847 120.500 -0.012 0.000 2.427 433 R HA 0.166 4.501 4.340 -0.008 0.000 0.262 433 R C -0.086 176.207 176.300 -0.010 0.000 0.943 433 R CA -0.157 55.937 56.100 -0.010 0.000 1.081 433 R CB 0.237 30.531 30.300 -0.010 0.000 1.166 433 R HN 0.127 nan 8.270 nan 0.000 0.534 434 Q N 1.178 120.971 119.800 -0.012 0.000 2.426 434 Q HA -0.198 4.138 4.340 -0.008 0.000 0.359 434 Q C -0.898 175.095 176.000 -0.011 0.000 1.381 434 Q CA 0.610 56.406 55.803 -0.012 0.000 1.060 434 Q CB -1.194 27.538 28.738 -0.011 0.000 1.253 434 Q HN 0.409 nan 8.270 nan 0.000 0.363 435 L N -0.461 120.753 121.223 -0.015 0.000 2.309 435 L HA 0.581 4.916 4.340 -0.008 0.000 0.261 435 L C 0.824 177.679 176.870 -0.024 0.000 1.021 435 L CA -1.023 53.809 54.840 -0.013 0.000 0.823 435 L CB 1.892 43.944 42.059 -0.011 0.000 1.366 435 L HN 0.232 nan 8.230 nan 0.000 0.423 436 T N -1.831 112.713 114.554 -0.016 0.000 2.899 436 T HA 0.308 4.653 4.350 -0.008 0.000 0.295 436 T C 1.379 176.030 174.700 -0.082 0.000 1.033 436 T CA -0.646 61.436 62.100 -0.031 0.000 1.084 436 T CB 0.932 69.800 68.868 0.000 0.000 0.979 436 T HN 0.466 nan 8.240 nan 0.000 0.532 437 L N 0.749 121.867 121.223 -0.175 0.000 1.991 437 L HA -0.191 4.144 4.340 -0.008 0.000 0.221 437 L C 2.613 179.205 176.870 -0.462 0.000 1.079 437 L CA 2.196 56.797 54.840 -0.398 0.000 0.778 437 L CB -0.670 40.978 42.059 -0.684 0.000 0.893 437 L HN 0.798 nan 8.230 nan 0.000 0.437 438 W N 1.061 121.989 121.300 -0.621 0.000 2.301 438 W HA -0.321 4.334 4.660 -0.008 0.000 0.325 438 W C 2.520 178.955 176.519 -0.141 0.000 1.250 438 W CA 2.309 59.465 57.345 -0.315 0.000 1.261 438 W CB -0.661 28.743 29.460 -0.093 0.000 1.157 438 W HN 0.295 nan 8.180 nan 0.000 0.473 439 Q N 0.006 119.928 119.800 0.203 0.000 2.062 439 Q HA -0.251 4.084 4.340 -0.008 0.000 0.209 439 Q C 2.533 178.528 176.000 -0.007 0.000 0.996 439 Q CA 3.175 59.050 55.803 0.120 0.000 0.859 439 Q CB -0.776 28.011 28.738 0.082 0.000 0.920 439 Q HN 0.312 nan 8.270 nan 0.000 0.415 440 A N -0.437 122.350 122.820 -0.056 0.000 1.933 440 A HA -0.218 4.098 4.320 -0.008 0.000 0.218 440 A C 2.242 179.768 177.584 -0.097 0.000 1.175 440 A CA 1.519 53.512 52.037 -0.072 0.000 0.628 440 A CB -0.885 18.066 19.000 -0.082 0.000 0.814 440 A HN 0.595 nan 8.150 nan 0.000 0.444 441 C N -1.444 117.759 119.300 -0.161 0.000 2.432 441 C HA 0.025 4.480 4.460 -0.008 0.000 0.282 441 C C 2.692 177.586 174.990 -0.159 0.000 1.388 441 C CA 0.972 59.896 59.018 -0.156 0.000 1.777 441 C CB -1.397 26.228 27.740 -0.192 0.000 1.882 441 C HN 0.655 nan 8.230 nan 0.000 0.520 442 R N 0.922 121.323 120.500 -0.164 0.000 2.075 442 R HA -0.059 4.276 4.340 -0.008 0.000 0.226 442 R C 2.160 178.430 176.300 -0.049 0.000 1.114 442 R CA 1.057 57.092 56.100 -0.108 0.000 0.972 442 R CB -0.067 30.204 30.300 -0.050 0.000 0.869 442 R HN 0.612 nan 8.270 nan 0.000 0.437 443 E N 0.410 120.589 120.200 -0.036 0.000 2.072 443 E HA -0.168 4.178 4.350 -0.008 0.000 0.190 443 E C 2.089 178.675 176.600 -0.023 0.000 0.982 443 E CA 0.955 57.343 56.400 -0.020 0.000 0.803 443 E CB -0.015 29.678 29.700 -0.013 0.000 0.755 443 E HN 0.328 nan 8.360 nan 0.000 0.453 444 L N 0.916 122.120 121.223 -0.032 0.000 1.994 444 L HA -0.206 4.130 4.340 -0.008 0.000 0.208 444 L C 2.626 179.481 176.870 -0.025 0.000 1.071 444 L CA 0.984 55.808 54.840 -0.027 0.000 0.745 444 L CB -0.586 41.455 42.059 -0.030 0.000 0.892 444 L HN 0.160 nan 8.230 nan 0.000 0.431 445 L N -0.500 120.702 121.223 -0.035 0.000 1.971 445 L HA -0.316 4.019 4.340 -0.008 0.000 0.215 445 L C 2.845 179.704 176.870 -0.019 0.000 1.072 445 L CA 1.636 56.459 54.840 -0.029 0.000 0.758 445 L CB -0.645 41.388 42.059 -0.043 0.000 0.889 445 L HN 0.371 nan 8.230 nan 0.000 0.433 446 Q N -0.121 119.668 119.800 -0.018 0.000 2.029 446 Q HA -0.296 4.039 4.340 -0.008 0.000 0.209 446 Q C 1.954 177.950 176.000 -0.007 0.000 0.999 446 Q CA 2.187 57.985 55.803 -0.009 0.000 0.857 446 Q CB -0.309 28.426 28.738 -0.005 0.000 0.926 446 Q HN 0.553 nan 8.270 nan 0.000 0.415 447 E N 0.509 120.704 120.200 -0.008 0.000 2.463 447 E HA -0.115 4.231 4.350 -0.008 0.000 0.201 447 E C -0.234 176.363 176.600 -0.006 0.000 1.045 447 E CA 0.248 56.644 56.400 -0.007 0.000 0.872 447 E CB -0.019 29.676 29.700 -0.008 0.000 0.797 447 E HN 0.226 nan 8.360 nan 0.000 0.538 448 K N -1.611 118.785 120.400 -0.008 0.000 3.069 448 K HA -0.250 4.065 4.320 -0.008 0.000 0.267 448 K C 0.630 177.226 176.600 -0.006 0.000 1.082 448 K CA 0.394 56.677 56.287 -0.007 0.000 0.782 448 K CB -1.788 30.709 32.500 -0.004 0.000 1.230 448 K HN 0.243 nan 8.250 nan 0.000 0.488 449 A N 0.353 123.168 122.820 -0.008 0.000 2.238 449 A HA 0.179 4.494 4.320 -0.008 0.000 0.208 449 A C 0.755 178.335 177.584 -0.007 0.000 1.177 449 A CA 0.320 52.353 52.037 -0.008 0.000 0.804 449 A CB 0.145 19.139 19.000 -0.009 0.000 0.823 449 A HN 0.289 nan 8.150 nan 0.000 0.482 450 L N -0.840 120.378 121.223 -0.008 0.000 2.330 450 L HA 0.616 4.951 4.340 -0.008 0.000 0.271 450 L C 0.549 177.415 176.870 -0.005 0.000 1.013 450 L CA -1.057 53.779 54.840 -0.007 0.000 0.816 450 L CB 1.638 43.693 42.059 -0.007 0.000 1.287 450 L HN 0.119 nan 8.230 nan 0.000 0.435 451 A N 1.330 124.148 122.820 -0.005 0.000 2.515 451 A HA 0.301 4.617 4.320 -0.008 0.000 0.263 451 A C 1.396 178.977 177.584 -0.004 0.000 1.096 451 A CA 0.487 52.521 52.037 -0.004 0.000 0.769 451 A CB -0.042 18.956 19.000 -0.004 0.000 1.040 451 A HN 1.024 nan 8.150 nan 0.000 0.505 452 G N 2.147 110.945 108.800 -0.003 0.000 2.830 452 G HA2 -0.420 3.535 3.960 -0.008 0.000 0.230 452 G HA3 -0.420 3.535 3.960 -0.008 0.000 0.230 452 G C 1.804 176.704 174.900 -0.001 0.000 1.172 452 G CA 1.714 46.813 45.100 -0.001 0.000 0.764 452 G HN 0.883 nan 8.290 nan 0.000 0.640 453 R N 0.550 121.049 120.500 -0.001 0.000 2.081 453 R HA 0.107 4.442 4.340 -0.008 0.000 0.235 453 R C 3.229 179.527 176.300 -0.002 0.000 1.131 453 R CA 2.155 58.254 56.100 -0.001 0.000 0.960 453 R CB -1.252 29.046 30.300 -0.002 0.000 0.856 453 R HN 0.713 nan 8.270 nan 0.000 0.436 454 A N 0.300 123.117 122.820 -0.004 0.000 1.858 454 A HA 0.092 4.407 4.320 -0.008 0.000 0.216 454 A C 2.612 180.194 177.584 -0.004 0.000 1.190 454 A CA 1.931 53.964 52.037 -0.007 0.000 0.617 454 A CB -1.367 17.628 19.000 -0.009 0.000 0.827 454 A HN 0.713 nan 8.150 nan 0.000 0.443 455 A N -0.822 121.996 122.820 -0.003 0.000 1.903 455 A HA -0.209 4.106 4.320 -0.008 0.000 0.219 455 A C 2.488 180.074 177.584 0.003 0.000 1.191 455 A CA 2.460 54.496 52.037 -0.002 0.000 0.638 455 A CB -1.165 17.832 19.000 -0.004 0.000 0.823 455 A HN 0.533 nan 8.150 nan 0.000 0.451 456 S N -1.013 114.689 115.700 0.005 0.000 2.400 456 S HA -0.049 4.417 4.470 -0.008 0.000 0.232 456 S C 2.098 176.710 174.600 0.019 0.000 1.025 456 S CA 1.528 59.734 58.200 0.010 0.000 0.993 456 S CB -0.414 62.791 63.200 0.008 0.000 0.808 456 S HN 0.817 nan 8.310 nan 0.000 0.478 457 A N 1.033 123.863 122.820 0.016 0.000 1.854 457 A HA 0.078 4.393 4.320 -0.008 0.000 0.214 457 A C 2.062 179.673 177.584 0.046 0.000 1.192 457 A CA 1.363 53.414 52.037 0.024 0.000 0.611 457 A CB -0.926 18.075 19.000 0.002 0.000 0.832 457 A HN 0.514 nan 8.150 nan 0.000 0.442 458 L N 0.085 121.324 121.223 0.027 0.000 2.043 458 L HA -0.264 4.072 4.340 -0.008 0.000 0.212 458 L C 2.517 179.438 176.870 0.086 0.000 1.075 458 L CA 2.866 57.735 54.840 0.049 0.000 0.752 458 L CB -0.816 41.257 42.059 0.023 0.000 0.891 458 L HN 0.621 nan 8.230 nan 0.000 0.432 459 Q N -0.355 119.469 119.800 0.039 0.000 1.975 459 Q HA -0.302 4.033 4.340 -0.008 0.000 0.205 459 Q C 2.467 178.497 176.000 0.050 0.000 0.990 459 Q CA 2.294 58.109 55.803 0.020 0.000 0.845 459 Q CB -0.374 28.370 28.738 0.010 0.000 0.913 459 Q HN 0.469 nan 8.270 nan 0.000 0.420 460 R N -0.770 119.770 120.500 0.067 0.000 2.174 460 R HA -0.224 4.111 4.340 -0.008 0.000 0.253 460 R C 2.010 178.387 176.300 0.129 0.000 1.165 460 R CA 1.768 57.915 56.100 0.080 0.000 0.984 460 R CB -0.558 29.787 30.300 0.074 0.000 0.873 460 R HN 0.445 nan 8.270 nan 0.000 0.456 461 F N 0.434 120.384 119.950 -0.000 0.000 2.060 461 F HA -0.117 4.405 4.527 -0.008 0.000 0.295 461 F C 1.940 177.775 175.800 0.058 0.000 1.120 461 F CA 1.777 59.786 58.000 0.016 0.000 1.205 461 F CB -0.356 38.619 39.000 -0.042 0.000 0.986 461 F HN -0.036 nan 8.300 nan 0.000 0.470 462 M N 0.300 119.841 119.600 -0.099 0.000 2.144 462 M HA -0.234 4.242 4.480 -0.008 0.000 0.260 462 M C 1.979 178.287 176.300 0.013 0.000 1.067 462 M CA 2.044 57.216 55.300 -0.213 0.000 1.095 462 M CB -0.729 31.639 32.600 -0.388 0.000 1.365 462 M HN 0.270 nan 8.290 nan 0.000 0.406 463 E N 0.411 120.617 120.200 0.009 0.000 2.106 463 E HA -0.198 4.147 4.350 -0.008 0.000 0.192 463 E C 2.018 178.632 176.600 0.023 0.000 0.984 463 E CA 1.060 57.484 56.400 0.039 0.000 0.806 463 E CB -0.362 29.359 29.700 0.034 0.000 0.750 463 E HN 0.369 nan 8.360 nan 0.000 0.458 464 L N 1.392 122.612 121.223 -0.006 0.000 2.012 464 L HA -0.162 4.173 4.340 -0.008 0.000 0.210 464 L C 2.149 179.007 176.870 -0.020 0.000 1.073 464 L CA 1.551 56.389 54.840 -0.003 0.000 0.748 464 L CB -0.246 41.831 42.059 0.029 0.000 0.891 464 L HN 0.063 nan 8.230 nan 0.000 0.431 465 I N -0.459 120.060 120.570 -0.085 0.000 2.252 465 I HA -0.262 3.903 4.170 -0.008 0.000 0.245 465 I C 1.989 178.105 176.117 -0.001 0.000 1.102 465 I CA 1.321 62.591 61.300 -0.049 0.000 1.385 465 I CB -0.457 37.479 38.000 -0.107 0.000 1.064 465 I HN 0.294 nan 8.210 nan 0.000 0.414 466 D N 0.950 121.383 120.400 0.055 0.000 2.144 466 D HA -0.140 4.495 4.640 -0.008 0.000 0.199 466 D C 2.222 178.535 176.300 0.021 0.000 0.984 466 D CA 1.484 55.513 54.000 0.048 0.000 0.834 466 D CB -0.142 40.722 40.800 0.106 0.000 0.955 466 D HN 0.336 nan 8.370 nan 0.000 0.465 467 A N 0.178 123.011 122.820 0.021 0.000 1.930 467 A HA -0.082 4.233 4.320 -0.008 0.000 0.217 467 A C 2.312 179.898 177.584 0.003 0.000 1.175 467 A CA 0.832 52.877 52.037 0.012 0.000 0.627 467 A CB -0.604 18.404 19.000 0.014 0.000 0.815 467 A HN 0.210 nan 8.150 nan 0.000 0.443 468 L N -1.008 120.216 121.223 0.001 0.000 2.131 468 L HA -0.055 4.281 4.340 -0.008 0.000 0.206 468 L C 2.971 179.836 176.870 -0.009 0.000 1.087 468 L CA 0.800 55.638 54.840 -0.003 0.000 0.767 468 L CB -0.337 41.726 42.059 0.006 0.000 0.917 468 L HN 0.394 nan 8.230 nan 0.000 0.441 469 A N -0.753 122.058 122.820 -0.014 0.000 2.019 469 A HA -0.197 4.119 4.320 -0.008 0.000 0.219 469 A C 2.169 179.741 177.584 -0.019 0.000 1.164 469 A CA 1.381 53.404 52.037 -0.025 0.000 0.644 469 A CB -0.200 18.773 19.000 -0.046 0.000 0.805 469 A HN 0.477 nan 8.150 nan 0.000 0.449 470 Q N -0.839 118.953 119.800 -0.012 0.000 2.103 470 Q HA -0.061 4.275 4.340 -0.008 0.000 0.193 470 Q C 1.815 177.809 176.000 -0.010 0.000 0.986 470 Q CA 0.803 56.601 55.803 -0.009 0.000 0.834 470 Q CB -0.353 28.384 28.738 -0.002 0.000 0.915 470 Q HN 0.729 nan 8.270 nan 0.000 0.483 471 E N 0.370 120.565 120.200 -0.008 0.000 2.279 471 E HA -0.221 4.125 4.350 -0.008 0.000 0.205 471 E C 1.416 178.006 176.600 -0.017 0.000 1.028 471 E CA 1.478 57.871 56.400 -0.011 0.000 0.830 471 E CB -0.185 29.509 29.700 -0.011 0.000 0.736 471 E HN 0.166 nan 8.360 nan 0.000 0.478 472 T N -1.122 113.420 114.554 -0.019 0.000 3.105 472 T HA 0.358 4.703 4.350 -0.008 0.000 0.253 472 T C 1.381 176.068 174.700 -0.022 0.000 1.047 472 T CA 0.467 62.552 62.100 -0.025 0.000 0.944 472 T CB 0.125 68.977 68.868 -0.027 0.000 1.016 472 T HN 0.242 nan 8.240 nan 0.000 0.544 473 A N 1.590 124.399 122.820 -0.017 0.000 1.883 473 A HA -0.069 4.247 4.320 -0.008 0.000 0.217 473 A C 1.558 179.135 177.584 -0.012 0.000 1.186 473 A CA 1.568 53.597 52.037 -0.013 0.000 0.624 473 A CB -0.260 18.734 19.000 -0.011 0.000 0.822 473 A HN 0.553 nan 8.150 nan 0.000 0.444 474 D N -0.511 119.882 120.400 -0.013 0.000 2.561 474 D HA 0.255 4.890 4.640 -0.008 0.000 0.232 474 D C 0.027 176.317 176.300 -0.018 0.000 1.198 474 D CA 0.200 54.193 54.000 -0.011 0.000 0.826 474 D CB 0.062 40.857 40.800 -0.008 0.000 0.992 474 D HN 0.450 nan 8.370 nan 0.000 0.490 475 M N 0.553 120.137 119.600 -0.027 0.000 2.537 475 M HA 0.369 4.845 4.480 -0.008 0.000 0.324 475 M C -2.420 173.853 176.300 -0.045 0.000 1.187 475 M CA -1.849 53.424 55.300 -0.046 0.000 0.993 475 M CB 1.772 34.332 32.600 -0.067 0.000 1.666 475 M HN -0.368 nan 8.290 nan 0.000 0.461 476 P HA 0.029 nan 4.420 nan 0.000 0.269 476 P C 0.435 177.704 177.300 -0.051 0.000 1.209 476 P CA -0.330 62.756 63.100 -0.023 0.000 0.776 476 P CB 0.540 32.227 31.700 -0.021 0.000 0.876 477 L N 3.065 124.308 121.223 0.032 0.000 2.051 477 L HA -0.229 4.106 4.340 -0.008 0.000 0.214 477 L C 2.045 178.884 176.870 -0.051 0.000 1.076 477 L CA 1.988 56.821 54.840 -0.012 0.000 0.758 477 L CB -1.092 40.972 42.059 0.008 0.000 0.890 477 L HN 0.563 nan 8.230 nan 0.000 0.433 478 H N -2.721 116.299 119.070 -0.084 0.000 2.543 478 H HA 0.126 4.677 4.556 -0.008 0.000 0.269 478 H C 1.594 176.890 175.328 -0.052 0.000 1.005 478 H CA 0.940 56.939 56.048 -0.082 0.000 1.146 478 H CB -0.373 29.355 29.762 -0.056 0.000 1.353 478 H HN 0.316 nan 8.280 nan 0.000 0.595 479 V N 0.474 120.116 119.914 -0.452 0.000 2.788 479 V HA -0.108 4.007 4.120 -0.008 0.000 0.241 479 V C 2.774 178.766 176.094 -0.170 0.000 1.083 479 V CA 1.159 63.251 62.300 -0.348 0.000 1.103 479 V CB 0.065 31.685 31.823 -0.338 0.000 0.800 479 V HN 0.355 nan 8.190 nan 0.000 0.476 480 Q N 0.182 119.900 119.800 -0.136 0.000 2.119 480 Q HA -0.188 4.147 4.340 -0.008 0.000 0.201 480 Q C 2.052 178.010 176.000 -0.070 0.000 0.972 480 Q CA 2.237 57.990 55.803 -0.083 0.000 0.847 480 Q CB -0.087 28.613 28.738 -0.063 0.000 0.903 480 Q HN 0.620 nan 8.270 nan 0.000 0.433 481 T N 0.681 115.187 114.554 -0.081 0.000 2.701 481 T HA -0.167 4.179 4.350 -0.008 0.000 0.263 481 T C 1.249 175.923 174.700 -0.042 0.000 1.040 481 T CA 1.465 63.531 62.100 -0.057 0.000 1.147 481 T CB -0.492 68.329 68.868 -0.077 0.000 0.865 481 T HN 0.508 nan 8.240 nan 0.000 0.426 482 D N 0.665 121.035 120.400 -0.050 0.000 2.133 482 D HA -0.153 4.482 4.640 -0.008 0.000 0.195 482 D C 2.355 178.627 176.300 -0.046 0.000 0.997 482 D CA 0.971 54.948 54.000 -0.038 0.000 0.840 482 D CB 0.138 40.911 40.800 -0.045 0.000 0.947 482 D HN -0.004 nan 8.370 nan 0.000 0.452 483 R N -0.002 120.463 120.500 -0.058 0.000 2.075 483 R HA -0.011 4.324 4.340 -0.008 0.000 0.232 483 R C 2.455 178.718 176.300 -0.062 0.000 1.126 483 R CA 0.560 56.627 56.100 -0.055 0.000 0.963 483 R CB -1.039 29.229 30.300 -0.054 0.000 0.858 483 R HN 0.250 nan 8.270 nan 0.000 0.435 484 V N 1.589 121.465 119.914 -0.062 0.000 2.358 484 V HA -0.181 3.934 4.120 -0.008 0.000 0.246 484 V C 2.356 178.360 176.094 -0.149 0.000 1.047 484 V CA 1.481 63.728 62.300 -0.088 0.000 1.035 484 V CB -0.455 31.348 31.823 -0.034 0.000 0.658 484 V HN 0.183 nan 8.190 nan 0.000 0.452 485 I N -0.428 120.088 120.570 -0.091 0.000 2.454 485 I HA -0.246 3.919 4.170 -0.008 0.000 0.254 485 I C 2.419 178.486 176.117 -0.084 0.000 1.156 485 I CA 1.582 62.832 61.300 -0.083 0.000 1.433 485 I CB -0.376 37.608 38.000 -0.026 0.000 1.082 485 I HN 0.320 nan 8.210 nan 0.000 0.432 486 K N 0.318 120.674 120.400 -0.073 0.000 2.078 486 K HA -0.036 4.279 4.320 -0.008 0.000 0.203 486 K C 1.645 178.200 176.600 -0.074 0.000 1.043 486 K CA 0.863 57.117 56.287 -0.055 0.000 0.960 486 K CB -0.046 32.432 32.500 -0.036 0.000 0.761 486 K HN 0.212 nan 8.250 nan 0.000 0.448 487 D N 1.033 121.380 120.400 -0.087 0.000 2.218 487 D HA -0.110 4.525 4.640 -0.008 0.000 0.204 487 D C 1.947 178.175 176.300 -0.121 0.000 0.976 487 D CA 1.392 55.344 54.000 -0.079 0.000 0.853 487 D CB 0.123 40.886 40.800 -0.061 0.000 0.939 487 D HN 0.198 nan 8.370 nan 0.000 0.481 488 S N -0.309 115.231 115.700 -0.266 0.000 2.402 488 S HA 0.023 4.488 4.470 -0.008 0.000 0.229 488 S C 1.899 176.383 174.600 -0.193 0.000 1.021 488 S CA 1.280 59.189 58.200 -0.486 0.000 0.974 488 S CB 0.116 62.574 63.200 -1.237 0.000 0.800 488 S HN 0.331 nan 8.310 nan 0.000 0.484 489 G N 0.734 109.461 108.800 -0.122 0.000 2.176 489 G HA2 -0.214 3.741 3.960 -0.008 0.000 0.232 489 G HA3 -0.214 3.741 3.960 -0.008 0.000 0.232 489 G C 0.603 175.494 174.900 -0.014 0.000 0.986 489 G CA 0.285 45.361 45.100 -0.040 0.000 0.643 489 G HN 0.464 nan 8.290 nan 0.000 0.522 490 L N -0.177 121.035 121.223 -0.018 0.000 2.017 490 L HA -0.047 4.289 4.340 -0.008 0.000 0.208 490 L C 2.914 179.890 176.870 0.176 0.000 1.073 490 L CA 2.158 57.066 54.840 0.113 0.000 0.745 490 L CB -0.480 41.660 42.059 0.134 0.000 0.894 490 L HN 0.424 nan 8.230 nan 0.000 0.432 491 R N 0.053 120.610 120.500 0.095 0.000 2.094 491 R HA -0.184 4.151 4.340 -0.008 0.000 0.239 491 R C 2.200 178.551 176.300 0.084 0.000 1.137 491 R CA 2.323 58.481 56.100 0.097 0.000 0.943 491 R CB -0.431 29.893 30.300 0.040 0.000 0.850 491 R HN 0.242 nan 8.270 nan 0.000 0.433 492 T N 1.244 115.820 114.554 0.037 0.000 2.803 492 T HA -0.223 4.122 4.350 -0.008 0.000 0.269 492 T C 1.667 176.364 174.700 -0.005 0.000 1.052 492 T CA 1.712 63.820 62.100 0.014 0.000 1.136 492 T CB -0.194 68.672 68.868 -0.002 0.000 0.864 492 T HN 0.379 nan 8.240 nan 0.000 0.467 493 M N -0.184 119.399 119.600 -0.028 0.000 2.123 493 M HA -0.055 4.421 4.480 -0.008 0.000 0.263 493 M C 1.688 177.872 176.300 -0.192 0.000 1.069 493 M CA 1.667 56.883 55.300 -0.139 0.000 1.133 493 M CB -0.131 32.331 32.600 -0.229 0.000 1.356 493 M HN 0.242 nan 8.290 nan 0.000 0.415 494 Y N 0.254 120.556 120.300 0.003 0.000 2.516 494 Y HA -0.045 4.500 4.550 -0.008 0.000 0.291 494 Y C 2.290 178.191 175.900 0.003 0.000 1.131 494 Y CA 1.071 59.173 58.100 0.004 0.000 1.281 494 Y CB -0.109 38.354 38.460 0.005 0.000 1.013 494 Y HN 0.387 nan 8.280 nan 0.000 0.554 495 E N 0.754 121.027 120.200 0.121 0.000 2.072 495 E HA -0.202 4.143 4.350 -0.008 0.000 0.191 495 E C 1.064 177.689 176.600 0.043 0.000 0.985 495 E CA 1.081 57.524 56.400 0.073 0.000 0.801 495 E CB 0.053 29.782 29.700 0.048 0.000 0.750 495 E HN 0.554 nan 8.360 nan 0.000 0.452 496 Q N 0.647 120.457 119.800 0.016 0.000 2.526 496 Q HA 0.219 4.554 4.340 -0.008 0.000 0.353 496 Q C -0.590 175.402 176.000 -0.013 0.000 0.977 496 Q CA -0.102 55.700 55.803 -0.001 0.000 1.027 496 Q CB 0.492 29.222 28.738 -0.014 0.000 1.272 496 Q HN 0.035 nan 8.270 nan 0.000 0.420 497 E N 1.487 121.692 120.200 0.009 0.000 2.191 497 E HA 0.255 4.601 4.350 -0.008 0.000 0.274 497 E C -0.985 175.628 176.600 0.022 0.000 0.948 497 E CA -0.805 55.599 56.400 0.007 0.000 0.802 497 E CB 1.502 31.230 29.700 0.046 0.000 1.137 497 E HN 0.191 nan 8.360 nan 0.000 0.397 498 K N 1.895 122.303 120.400 0.013 0.000 2.485 498 K HA 0.087 4.402 4.320 -0.008 0.000 0.277 498 K C 0.673 177.286 176.600 0.022 0.000 0.990 498 K CA 0.982 57.278 56.287 0.015 0.000 0.994 498 K CB 0.263 32.769 32.500 0.008 0.000 0.906 498 K HN 0.780 nan 8.250 nan 0.000 0.488 499 G N 1.887 110.698 108.800 0.018 0.000 2.551 499 G HA2 -0.476 3.479 3.960 -0.008 0.000 0.383 499 G HA3 -0.476 3.479 3.960 -0.008 0.000 0.383 499 G C 1.000 175.914 174.900 0.023 0.000 1.370 499 G CA 1.016 46.127 45.100 0.018 0.000 0.940 499 G HN 0.853 nan 8.290 nan 0.000 0.524 500 E N -0.963 119.248 120.200 0.019 0.000 2.086 500 E HA -0.286 4.059 4.350 -0.008 0.000 0.200 500 E C 2.412 179.027 176.600 0.024 0.000 1.012 500 E CA 2.792 59.204 56.400 0.019 0.000 0.812 500 E CB -0.547 29.162 29.700 0.014 0.000 0.743 500 E HN 0.826 nan 8.360 nan 0.000 0.453 501 K N 0.057 120.474 120.400 0.029 0.000 2.032 501 K HA -0.004 4.312 4.320 -0.008 0.000 0.209 501 K C 2.418 179.053 176.600 0.057 0.000 1.048 501 K CA 1.630 57.940 56.287 0.038 0.000 0.927 501 K CB -1.049 31.476 32.500 0.041 0.000 0.712 501 K HN 0.367 nan 8.250 nan 0.000 0.441 502 G N 0.346 109.186 108.800 0.066 0.000 2.440 502 G HA2 -0.274 3.681 3.960 -0.008 0.000 0.218 502 G HA3 -0.274 3.681 3.960 -0.008 0.000 0.218 502 G C 1.356 176.302 174.900 0.078 0.000 1.154 502 G CA 0.591 45.749 45.100 0.095 0.000 0.767 502 G HN 0.282 nan 8.290 nan 0.000 0.552 503 Q N 0.170 119.999 119.800 0.048 0.000 1.975 503 Q HA -0.120 4.215 4.340 -0.008 0.000 0.205 503 Q C 2.838 178.854 176.000 0.027 0.000 0.990 503 Q CA 1.858 57.682 55.803 0.035 0.000 0.845 503 Q CB -1.365 27.388 28.738 0.024 0.000 0.913 503 Q HN 0.385 nan 8.270 nan 0.000 0.420 504 T N 1.646 116.213 114.554 0.021 0.000 2.680 504 T HA -0.226 4.120 4.350 -0.008 0.000 0.268 504 T C 1.838 176.530 174.700 -0.012 0.000 1.033 504 T CA 1.818 63.923 62.100 0.008 0.000 1.152 504 T CB -0.173 68.699 68.868 0.007 0.000 0.859 504 T HN 0.305 nan 8.240 nan 0.000 0.452 505 R N 0.082 120.570 120.500 -0.020 0.000 2.148 505 R HA 0.039 4.374 4.340 -0.008 0.000 0.227 505 R C 2.273 178.494 176.300 -0.132 0.000 1.103 505 R CA 0.865 56.891 56.100 -0.122 0.000 0.983 505 R CB -0.240 29.981 30.300 -0.132 0.000 0.874 505 R HN 0.373 nan 8.270 nan 0.000 0.451 506 I N 1.143 121.699 120.570 -0.025 0.000 2.333 506 I HA -0.139 4.027 4.170 -0.008 0.000 0.246 506 I C 2.894 179.011 176.117 0.001 0.000 1.106 506 I CA 1.629 62.928 61.300 -0.003 0.000 1.411 506 I CB -1.319 36.705 38.000 0.040 0.000 1.082 506 I HN 0.280 nan 8.210 nan 0.000 0.420 507 E N 1.466 121.672 120.200 0.010 0.000 2.160 507 E HA -0.232 4.113 4.350 -0.008 0.000 0.195 507 E C 1.796 178.422 176.600 0.043 0.000 0.991 507 E CA 1.572 57.985 56.400 0.022 0.000 0.810 507 E CB -0.942 28.770 29.700 0.020 0.000 0.742 507 E HN 0.520 nan 8.360 nan 0.000 0.466 508 N N -0.007 118.716 118.700 0.039 0.000 2.171 508 N HA 0.016 4.751 4.740 -0.008 0.000 0.184 508 N C 1.949 177.531 175.510 0.120 0.000 1.021 508 N CA 1.058 54.180 53.050 0.120 0.000 0.854 508 N CB -0.120 38.376 38.487 0.016 0.000 0.994 508 N HN 0.404 nan 8.380 nan 0.000 0.426 509 L N 1.356 122.585 121.223 0.009 0.000 2.265 509 L HA -0.103 4.232 4.340 -0.008 0.000 0.215 509 L C 1.915 178.823 176.870 0.062 0.000 1.117 509 L CA 0.993 55.844 54.840 0.017 0.000 0.782 509 L CB -0.235 41.803 42.059 -0.035 0.000 0.914 509 L HN 0.209 nan 8.230 nan 0.000 0.441 510 E N -0.191 120.042 120.200 0.055 0.000 2.107 510 E HA -0.230 4.115 4.350 -0.008 0.000 0.191 510 E C 1.938 178.574 176.600 0.060 0.000 0.982 510 E CA 0.748 57.177 56.400 0.049 0.000 0.809 510 E CB 0.076 29.796 29.700 0.033 0.000 0.756 510 E HN 0.447 nan 8.360 nan 0.000 0.459 511 E N 0.814 121.064 120.200 0.083 0.000 2.150 511 E HA -0.177 4.169 4.350 -0.008 0.000 0.193 511 E C 2.098 178.750 176.600 0.087 0.000 0.985 511 E CA 0.323 56.744 56.400 0.035 0.000 0.814 511 E CB 0.102 29.789 29.700 -0.022 0.000 0.752 511 E HN 0.083 nan 8.360 nan 0.000 0.466 512 L N 0.360 121.748 121.223 0.274 0.000 2.083 512 L HA -0.151 4.184 4.340 -0.008 0.000 0.209 512 L C 2.113 179.084 176.870 0.169 0.000 1.083 512 L CA 1.321 56.363 54.840 0.337 0.000 0.752 512 L CB -0.348 41.905 42.059 0.323 0.000 0.899 512 L HN 0.020 nan 8.230 nan 0.000 0.433 513 V N -0.975 118.999 119.914 0.101 0.000 2.307 513 V HA -0.286 3.830 4.120 -0.008 0.000 0.245 513 V C 2.492 178.618 176.094 0.054 0.000 1.045 513 V CA 2.198 64.537 62.300 0.065 0.000 1.024 513 V CB -1.008 30.855 31.823 0.066 0.000 0.651 513 V HN 0.516 nan 8.190 nan 0.000 0.449 514 T N 0.365 114.942 114.554 0.038 0.000 2.684 514 T HA -0.228 4.117 4.350 -0.008 0.000 0.267 514 T C 2.067 176.777 174.700 0.016 0.000 1.036 514 T CA 1.862 63.965 62.100 0.004 0.000 1.148 514 T CB -0.495 68.365 68.868 -0.013 0.000 0.863 514 T HN 0.579 nan 8.240 nan 0.000 0.436 515 A N 0.923 123.771 122.820 0.046 0.000 1.917 515 A HA -0.187 4.129 4.320 -0.008 0.000 0.219 515 A C 2.545 180.235 177.584 0.176 0.000 1.182 515 A CA 2.403 54.525 52.037 0.142 0.000 0.633 515 A CB -1.287 17.859 19.000 0.244 0.000 0.819 515 A HN 0.507 nan 8.150 nan 0.000 0.448 516 T N -1.098 113.464 114.554 0.013 0.000 2.777 516 T HA -0.122 4.223 4.350 -0.008 0.000 0.266 516 T C 2.046 176.745 174.700 -0.002 0.000 1.040 516 T CA 1.388 63.368 62.100 -0.200 0.000 1.141 516 T CB -0.214 68.454 68.868 -0.334 0.000 0.868 516 T HN 0.576 nan 8.240 nan 0.000 0.444 517 R N 1.021 121.502 120.500 -0.033 0.000 2.088 517 R HA -0.110 4.225 4.340 -0.008 0.000 0.232 517 R C 2.418 178.657 176.300 -0.102 0.000 1.136 517 R CA 1.707 57.667 56.100 -0.233 0.000 0.926 517 R CB -0.222 29.873 30.300 -0.341 0.000 0.837 517 R HN 0.432 nan 8.270 nan 0.000 0.429 518 Q N -0.384 119.401 119.800 -0.026 0.000 2.439 518 Q HA -0.126 4.209 4.340 -0.008 0.000 0.211 518 Q C 0.014 176.063 176.000 0.082 0.000 0.978 518 Q CA 0.032 55.842 55.803 0.011 0.000 0.897 518 Q CB -0.134 28.617 28.738 0.022 0.000 0.956 518 Q HN 0.199 nan 8.270 nan 0.000 0.483 519 F N 1.996 121.936 119.950 -0.016 0.000 2.539 519 F HA -0.062 4.460 4.527 -0.008 0.000 0.393 519 F C -0.111 175.677 175.800 -0.020 0.000 1.032 519 F CA -0.101 57.904 58.000 0.009 0.000 1.120 519 F CB 0.367 39.424 39.000 0.096 0.000 1.014 519 F HN -0.275 nan 8.300 nan 0.000 0.546 520 S N 6.664 122.077 115.700 -0.477 0.000 2.439 520 S HA 0.372 4.837 4.470 -0.008 0.000 0.282 520 S C 1.104 175.279 174.600 -0.708 0.000 1.170 520 S CA 0.004 57.939 58.200 -0.441 0.000 1.054 520 S CB -0.213 62.831 63.200 -0.260 0.000 0.956 520 S HN 0.737 nan 8.310 nan 0.000 0.490 521 Y N 2.369 122.388 120.300 -0.469 0.000 2.037 521 Y HA 0.164 4.710 4.550 -0.008 0.000 0.151 521 Y C 1.206 176.936 175.900 -0.283 0.000 0.777 521 Y CA 0.942 58.828 58.100 -0.356 0.000 0.699 521 Y CB -1.284 37.088 38.460 -0.147 0.000 0.810 521 Y HN 1.293 nan 8.280 nan 0.000 0.674 527 D N -0.819 119.596 120.400 0.026 0.000 2.856 527 D HA 0.706 5.341 4.640 -0.008 0.000 0.283 527 D C 1.222 177.535 176.300 0.022 0.000 1.051 527 D CA 2.166 56.184 54.000 0.029 0.000 0.965 527 D CB -0.208 40.604 40.800 0.021 0.000 1.201 527 D HN 1.539 nan 8.370 nan 0.000 0.474 528 L N -1.478 119.757 121.223 0.021 0.000 2.271 528 L HA 0.991 5.326 4.340 -0.008 0.000 0.265 528 L C 1.241 178.130 176.870 0.033 0.000 1.013 528 L CA -0.503 54.345 54.840 0.014 0.000 0.820 528 L CB 0.319 42.376 42.059 -0.003 0.000 1.352 528 L HN 0.965 nan 8.230 nan 0.000 0.443 529 M N 0.548 120.164 119.600 0.027 0.000 2.240 529 M HA 0.490 4.966 4.480 -0.008 0.000 0.333 529 M C -0.383 175.968 176.300 0.085 0.000 1.110 529 M CA -0.963 54.363 55.300 0.043 0.000 1.173 529 M CB -0.997 31.617 32.600 0.024 0.000 1.458 529 M HN 0.795 nan 8.290 nan 0.000 0.458 530 P HA -0.218 nan 4.420 nan 0.000 0.216 530 P C 1.606 179.029 177.300 0.204 0.000 1.157 530 P CA 1.532 64.760 63.100 0.212 0.000 0.880 530 P CB 0.005 31.811 31.700 0.177 0.000 0.791 531 L N -0.123 121.165 121.223 0.108 0.000 2.012 531 L HA -0.183 4.153 4.340 -0.008 0.000 0.210 531 L C 2.615 179.538 176.870 0.088 0.000 1.073 531 L CA 2.016 56.909 54.840 0.087 0.000 0.748 531 L CB -1.751 40.331 42.059 0.037 0.000 0.891 531 L HN -0.135 nan 8.230 nan 0.000 0.431 532 Q N -0.612 119.214 119.800 0.043 0.000 2.046 532 Q HA -0.039 4.297 4.340 -0.008 0.000 0.200 532 Q C 2.315 178.322 176.000 0.012 0.000 0.975 532 Q CA 1.853 57.650 55.803 -0.011 0.000 0.836 532 Q CB -0.633 28.075 28.738 -0.051 0.000 0.896 532 Q HN 0.621 nan 8.270 nan 0.000 0.428 533 A N 0.117 122.994 122.820 0.094 0.000 1.892 533 A HA -0.238 4.077 4.320 -0.008 0.000 0.218 533 A C 1.974 179.654 177.584 0.160 0.000 1.188 533 A CA 1.678 53.820 52.037 0.176 0.000 0.631 533 A CB -0.932 18.242 19.000 0.290 0.000 0.822 533 A HN 0.476 nan 8.150 nan 0.000 0.447 534 F N 0.234 120.131 119.950 -0.089 0.000 2.186 534 F HA -0.034 4.489 4.527 -0.008 0.000 0.299 534 F C 1.883 177.471 175.800 -0.353 0.000 1.090 534 F CA 1.396 59.072 58.000 -0.540 0.000 1.307 534 F CB -0.191 38.422 39.000 -0.644 0.000 1.019 534 F HN 0.131 nan 8.300 nan 0.000 0.489 535 L N -0.768 120.327 121.223 -0.213 0.000 2.083 535 L HA -0.221 4.114 4.340 -0.008 0.000 0.209 535 L C 2.518 179.155 176.870 -0.388 0.000 1.083 535 L CA 1.335 55.999 54.840 -0.293 0.000 0.752 535 L CB -0.896 41.092 42.059 -0.119 0.000 0.899 535 L HN 0.064 nan 8.230 nan 0.000 0.433 536 S N -1.270 114.249 115.700 -0.302 0.000 2.368 536 S HA -0.257 4.208 4.470 -0.008 0.000 0.225 536 S C 1.902 176.269 174.600 -0.388 0.000 1.030 536 S CA 1.476 59.470 58.200 -0.344 0.000 0.999 536 S CB -0.386 62.620 63.200 -0.324 0.000 0.844 536 S HN 0.546 nan 8.310 nan 0.000 0.459 537 H N 1.866 120.651 119.070 -0.475 0.000 2.319 537 H HA 0.027 4.578 4.556 -0.008 0.000 0.299 537 H C 2.022 176.937 175.328 -0.688 0.000 1.092 537 H CA 1.768 57.528 56.048 -0.480 0.000 1.302 537 H CB -0.596 28.887 29.762 -0.466 0.000 1.373 537 H HN 0.298 nan 8.280 nan 0.000 0.497 538 A N 0.327 122.382 122.820 -1.276 0.000 2.067 538 A HA 0.052 4.367 4.320 -0.008 0.000 0.219 538 A C 2.465 179.585 177.584 -0.774 0.000 1.158 538 A CA 1.408 52.433 52.037 -1.686 0.000 0.661 538 A CB -0.974 16.911 19.000 -1.860 0.000 0.801 538 A HN 0.637 nan 8.150 nan 0.000 0.452 539 A N -0.968 121.554 122.820 -0.497 0.000 2.030 539 A HA 0.317 4.632 4.320 -0.008 0.000 0.215 539 A C 1.887 179.436 177.584 -0.058 0.000 1.164 539 A CA 0.887 52.798 52.037 -0.211 0.000 0.697 539 A CB -0.211 18.674 19.000 -0.192 0.000 0.827 539 A HN 0.420 nan 8.150 nan 0.000 0.457 540 L N -0.500 120.608 121.223 -0.192 0.000 2.556 540 L HA 0.153 4.488 4.340 -0.008 0.000 0.226 540 L C -0.145 176.615 176.870 -0.184 0.000 1.089 540 L CA 0.155 54.917 54.840 -0.131 0.000 0.864 540 L CB 0.227 42.193 42.059 -0.156 0.000 1.067 540 L HN 0.212 nan 8.230 nan 0.000 0.477 541 E N 0.502 120.535 120.200 -0.280 0.000 2.255 541 E HA 0.306 4.652 4.350 -0.008 0.000 0.245 541 E C 0.559 177.146 176.600 -0.021 0.000 0.909 541 E CA -0.006 56.274 56.400 -0.200 0.000 0.747 541 E CB 1.809 31.282 29.700 -0.378 0.000 1.215 541 E HN 0.068 nan 8.360 nan 0.000 0.424 542 A N 2.769 125.612 122.820 0.038 0.000 1.881 542 A HA -0.134 4.182 4.320 -0.008 0.000 0.219 542 A C 1.653 179.375 177.584 0.231 0.000 1.215 542 A CA 2.099 54.216 52.037 0.134 0.000 0.648 542 A CB -0.733 18.309 19.000 0.070 0.000 0.832 542 A HN 1.009 nan 8.150 nan 0.000 0.455 543 G N -3.197 105.697 108.800 0.156 0.000 2.164 543 G HA2 0.397 4.353 3.960 -0.008 0.000 0.212 543 G HA3 0.397 4.353 3.960 -0.008 0.000 0.212 543 G C 0.629 175.569 174.900 0.067 0.000 1.031 543 G CA 1.015 46.195 45.100 0.134 0.000 0.730 543 G HN 2.429 nan 8.290 nan 0.000 0.501 544 E N -2.135 118.109 120.200 0.074 0.000 9.227 544 E HA 0.370 4.715 4.350 -0.008 0.000 0.395 544 E C 1.509 178.140 176.600 0.053 0.000 1.429 544 E CA 1.457 57.891 56.400 0.056 0.000 2.482 544 E CB -1.163 28.555 29.700 0.030 0.000 1.056 544 E HN 2.256 nan 8.360 nan 0.000 0.417 545 G N 0.199 109.011 108.800 0.020 0.000 4.873 545 G HA2 0.754 4.709 3.960 -0.008 0.000 0.314 545 G HA3 0.754 4.709 3.960 -0.008 0.000 0.314 545 G C 0.727 175.624 174.900 -0.006 0.000 1.426 545 G CA 2.062 47.174 45.100 0.020 0.000 1.136 545 G HN 2.333 nan 8.290 nan 0.000 0.589 546 Q N -1.302 118.490 119.800 -0.014 0.000 0.459 546 Q HA 0.190 4.525 4.340 -0.008 0.000 0.299 546 Q C 1.214 177.187 176.000 -0.045 0.000 1.085 546 Q CA 1.143 56.923 55.803 -0.038 0.000 0.312 546 Q CB -1.578 27.160 28.738 -0.001 0.000 5.515 546 Q HN 2.303 nan 8.270 nan 0.000 0.317 547 A N 0.317 123.119 122.820 -0.030 0.000 2.141 547 A HA 0.531 4.846 4.320 -0.008 0.000 0.311 547 A C 1.858 179.435 177.584 -0.011 0.000 1.377 547 A CA 3.179 55.212 52.037 -0.007 0.000 0.923 547 A CB -1.246 17.763 19.000 0.015 0.000 1.158 547 A HN 2.995 nan 8.150 nan 0.000 0.520 548 D N -3.459 116.957 120.400 0.025 0.000 3.017 548 D HA -0.124 4.511 4.640 -0.008 0.000 0.220 548 D C 0.927 177.245 176.300 0.029 0.000 1.141 548 D CA 2.244 56.257 54.000 0.022 0.000 0.848 548 D CB -2.711 38.066 40.800 -0.038 0.000 1.102 548 D HN 1.776 nan 8.370 nan 0.000 0.427 549 T N -5.101 109.479 114.554 0.043 0.000 2.995 549 T HA 0.098 4.443 4.350 -0.008 0.000 0.269 549 T C 1.613 176.222 174.700 -0.152 0.000 1.091 549 T CA 1.668 63.729 62.100 -0.066 0.000 1.128 549 T CB -0.363 68.417 68.868 -0.146 0.000 0.891 549 T HN 0.748 nan 8.240 nan 0.000 0.492 550 W N 1.627 122.928 121.300 0.001 0.000 2.640 550 W HA 0.373 5.029 4.660 -0.008 0.000 0.268 550 W C 1.233 177.761 176.519 0.015 0.000 1.263 550 W CA -0.741 56.609 57.345 0.008 0.000 1.344 550 W CB -0.170 29.290 29.460 0.001 0.000 1.093 550 W HN 0.187 nan 8.180 nan 0.000 0.603 551 Q N 1.273 121.192 119.800 0.199 0.000 2.315 551 Q HA -0.060 4.276 4.340 -0.008 0.000 0.289 551 Q C -0.401 175.660 176.000 0.102 0.000 1.044 551 Q CA 0.205 56.084 55.803 0.126 0.000 0.920 551 Q CB 0.392 29.174 28.738 0.073 0.000 1.214 551 Q HN -0.151 nan 8.270 nan 0.000 0.392 552 D N 1.478 121.940 120.400 0.104 0.000 2.344 552 D HA 0.326 4.961 4.640 -0.008 0.000 0.253 552 D C -1.324 175.041 176.300 0.108 0.000 1.255 552 D CA 0.064 54.128 54.000 0.107 0.000 0.894 552 D CB 0.309 41.173 40.800 0.106 0.000 1.067 552 D HN 0.503 nan 8.370 nan 0.000 0.492 553 A N 3.201 126.091 122.820 0.117 0.000 2.384 553 A HA 0.618 4.934 4.320 -0.008 0.000 0.312 553 A C -0.565 177.118 177.584 0.166 0.000 1.113 553 A CA -0.807 51.307 52.037 0.129 0.000 0.779 553 A CB 1.482 20.537 19.000 0.091 0.000 1.307 553 A HN 0.377 nan 8.150 nan 0.000 0.436 554 V N 2.105 122.130 119.914 0.186 0.000 2.775 554 V HA 0.168 4.284 4.120 -0.008 0.000 0.299 554 V C -0.169 176.028 176.094 0.172 0.000 1.062 554 V CA -0.228 62.161 62.300 0.149 0.000 1.063 554 V CB 1.344 33.231 31.823 0.105 0.000 0.994 554 V HN 0.850 nan 8.190 nan 0.000 0.483 555 Q N 4.114 123.962 119.800 0.079 0.000 2.303 555 Q HA 0.512 4.847 4.340 -0.008 0.000 0.257 555 Q C -1.214 174.793 176.000 0.011 0.000 0.941 555 Q CA -0.518 55.343 55.803 0.096 0.000 0.931 555 Q CB 1.564 30.257 28.738 -0.075 0.000 1.215 555 Q HN 0.407 nan 8.270 nan 0.000 0.437 556 L N 4.181 125.519 121.223 0.193 0.000 2.346 556 L HA 0.656 4.992 4.340 -0.008 0.000 0.276 556 L C 0.048 177.014 176.870 0.160 0.000 1.006 556 L CA -0.215 54.701 54.840 0.127 0.000 0.817 556 L CB 1.529 43.732 42.059 0.240 0.000 1.272 556 L HN 0.694 nan 8.230 nan 0.000 0.421 557 M N -0.272 119.189 119.600 -0.231 0.000 2.956 557 M HA 0.473 4.949 4.480 -0.008 0.000 0.272 557 M C -0.894 174.916 176.300 -0.816 0.000 1.132 557 M CA -0.811 54.354 55.300 -0.225 0.000 0.805 557 M CB 1.722 34.284 32.600 -0.064 0.000 1.639 557 M HN 0.444 nan 8.290 nan 0.000 0.520 558 T N -0.619 113.743 114.554 -0.320 0.000 2.828 558 T HA 0.466 4.811 4.350 -0.008 0.000 0.290 558 T C 1.074 175.663 174.700 -0.185 0.000 1.019 558 T CA -0.735 61.226 62.100 -0.232 0.000 1.031 558 T CB 0.985 69.918 68.868 0.108 0.000 1.001 558 T HN 0.668 nan 8.240 nan 0.000 0.531 559 L N 0.243 121.370 121.223 -0.160 0.000 2.083 559 L HA -0.088 4.247 4.340 -0.008 0.000 0.209 559 L C 2.763 179.568 176.870 -0.109 0.000 1.083 559 L CA 1.543 56.282 54.840 -0.169 0.000 0.752 559 L CB -0.790 41.122 42.059 -0.245 0.000 0.899 559 L HN 0.791 nan 8.230 nan 0.000 0.433 560 H N -0.776 118.248 119.070 -0.076 0.000 2.352 560 H HA -0.128 4.423 4.556 -0.008 0.000 0.299 560 H C 2.205 177.574 175.328 0.069 0.000 1.097 560 H CA 1.602 57.638 56.048 -0.021 0.000 1.311 560 H CB -0.105 29.672 29.762 0.025 0.000 1.377 560 H HN 0.349 nan 8.280 nan 0.000 0.504 561 S N -0.610 115.195 115.700 0.175 0.000 2.743 561 S HA 0.386 4.851 4.470 -0.008 0.000 0.230 561 S C 1.444 176.067 174.600 0.038 0.000 0.950 561 S CA 0.119 58.397 58.200 0.129 0.000 0.976 561 S CB 0.265 63.545 63.200 0.133 0.000 0.779 561 S HN 0.437 nan 8.310 nan 0.000 0.487 562 A N 0.864 123.696 122.820 0.020 0.000 2.382 562 A HA 0.362 4.678 4.320 -0.008 0.000 0.228 562 A C 0.761 178.364 177.584 0.032 0.000 1.217 562 A CA -0.409 51.644 52.037 0.026 0.000 0.923 562 A CB -0.029 18.967 19.000 -0.007 0.000 0.979 562 A HN 0.464 nan 8.150 nan 0.000 0.515 563 K N 0.615 121.032 120.400 0.029 0.000 2.453 563 K HA 0.267 4.582 4.320 -0.008 0.000 0.280 563 K C 1.143 177.752 176.600 0.015 0.000 1.045 563 K CA 1.106 57.408 56.287 0.026 0.000 1.059 563 K CB -0.180 32.364 32.500 0.074 0.000 0.901 563 K HN 0.771 nan 8.250 nan 0.000 0.475 564 G N 3.226 112.016 108.800 -0.016 0.000 2.234 564 G HA2 -0.245 3.710 3.960 -0.008 0.000 0.235 564 G HA3 -0.245 3.710 3.960 -0.008 0.000 0.235 564 G C 0.038 174.880 174.900 -0.097 0.000 0.997 564 G CA 0.093 45.169 45.100 -0.039 0.000 0.623 564 G HN 0.513 nan 8.290 nan 0.000 0.514 565 L N 0.829 121.982 121.223 -0.117 0.000 2.431 565 L HA 0.775 5.111 4.340 -0.008 0.000 0.260 565 L C 0.502 177.146 176.870 -0.376 0.000 1.098 565 L CA -0.728 53.941 54.840 -0.284 0.000 0.800 565 L CB 1.194 43.108 42.059 -0.241 0.000 1.210 565 L HN 0.516 nan 8.230 nan 0.000 0.465 566 E N 0.144 119.902 120.200 -0.737 0.000 2.343 566 E HA 0.663 5.009 4.350 -0.008 0.000 0.278 566 E C -1.773 174.280 176.600 -0.911 0.000 0.910 566 E CA -0.735 55.337 56.400 -0.546 0.000 0.757 566 E CB 1.954 31.476 29.700 -0.297 0.000 1.218 566 E HN 0.247 nan 8.360 nan 0.000 0.435 567 F N 0.557 120.437 119.950 -0.117 0.000 2.608 567 F HA 0.369 4.891 4.527 -0.008 0.000 0.309 567 F C -2.160 173.541 175.800 -0.166 0.000 1.103 567 F CA -2.363 55.561 58.000 -0.126 0.000 0.954 567 F CB 2.112 41.026 39.000 -0.144 0.000 1.267 567 F HN 0.288 nan 8.300 nan 0.000 0.444 568 P HA -0.110 nan 4.420 nan 0.000 0.217 568 P C -0.319 176.810 177.300 -0.285 0.000 1.150 568 P CA 1.479 64.518 63.100 -0.103 0.000 0.832 568 P CB 0.280 31.970 31.700 -0.017 0.000 0.787 569 Q N -0.317 119.230 119.800 -0.421 0.000 2.333 569 Q HA 0.426 4.762 4.340 -0.008 0.000 0.268 569 Q C -1.094 174.606 176.000 -0.500 0.000 1.007 569 Q CA -0.498 54.929 55.803 -0.626 0.000 0.810 569 Q CB 2.533 30.741 28.738 -0.883 0.000 1.264 569 Q HN -0.128 nan 8.270 nan 0.000 0.452 570 V N 4.116 123.674 119.914 -0.593 0.000 2.483 570 V HA 0.476 4.591 4.120 -0.008 0.000 0.297 570 V C -1.078 174.644 176.094 -0.619 0.000 1.027 570 V CA -0.608 61.421 62.300 -0.452 0.000 0.855 570 V CB 1.279 32.970 31.823 -0.220 0.000 0.995 570 V HN 0.564 nan 8.190 nan 0.000 0.424 571 F N 5.261 125.106 119.950 -0.176 0.000 2.402 571 F HA 0.595 5.117 4.527 -0.008 0.000 0.355 571 F C 0.229 175.981 175.800 -0.080 0.000 1.123 571 F CA -0.527 57.407 58.000 -0.110 0.000 1.021 571 F CB 1.355 40.285 39.000 -0.118 0.000 1.160 571 F HN 0.223 nan 8.300 nan 0.000 0.451 572 I N 4.608 125.246 120.570 0.113 0.000 2.330 572 I HA 0.372 4.537 4.170 -0.008 0.000 0.289 572 I C -0.369 175.844 176.117 0.161 0.000 1.001 572 I CA -0.721 60.638 61.300 0.098 0.000 1.193 572 I CB 1.298 39.352 38.000 0.089 0.000 1.345 572 I HN 0.259 nan 8.210 nan 0.000 0.461 573 V N 4.608 124.612 119.914 0.151 0.000 2.966 573 V HA 0.591 4.706 4.120 -0.008 0.000 0.317 573 V C 0.955 177.147 176.094 0.164 0.000 1.070 573 V CA 0.149 62.548 62.300 0.164 0.000 1.008 573 V CB 1.659 33.570 31.823 0.147 0.000 1.070 573 V HN 1.030 nan 8.190 nan 0.000 0.457 574 G N 3.079 111.971 108.800 0.154 0.000 2.221 574 G HA2 -0.199 3.756 3.960 -0.008 0.000 0.265 574 G HA3 -0.199 3.756 3.960 -0.008 0.000 0.265 574 G C 0.134 175.154 174.900 0.200 0.000 1.041 574 G CA -0.059 45.121 45.100 0.132 0.000 0.807 574 G HN 0.389 nan 8.290 nan 0.000 0.502 575 M N 1.598 121.363 119.600 0.275 0.000 3.442 575 M HA 0.254 4.730 4.480 -0.008 0.000 0.232 575 M C 0.736 177.135 176.300 0.165 0.000 1.508 575 M CA 0.285 55.769 55.300 0.306 0.000 1.647 575 M CB -1.176 31.636 32.600 0.353 0.000 1.126 575 M HN 0.690 nan 8.290 nan 0.000 0.557 576 E N -0.386 119.856 120.200 0.071 0.000 2.331 576 E HA 0.481 4.826 4.350 -0.008 0.000 0.275 576 E C -1.230 175.314 176.600 -0.093 0.000 0.895 576 E CA -0.888 55.477 56.400 -0.060 0.000 0.753 576 E CB 1.619 31.299 29.700 -0.033 0.000 1.216 576 E HN 0.106 nan 8.360 nan 0.000 0.434 577 E N 0.387 120.528 120.200 -0.098 0.000 2.417 577 E HA 0.309 4.654 4.350 -0.008 0.000 0.261 577 E C 0.786 177.410 176.600 0.039 0.000 1.000 577 E CA 2.092 58.444 56.400 -0.080 0.000 0.919 577 E CB 0.539 30.188 29.700 -0.086 0.000 0.955 577 E HN 0.838 nan 8.360 nan 0.000 0.455 578 G N 3.236 112.035 108.800 -0.003 0.000 2.211 578 G HA2 -0.229 3.726 3.960 -0.008 0.000 0.201 578 G HA3 -0.229 3.726 3.960 -0.008 0.000 0.201 578 G C 0.624 175.439 174.900 -0.141 0.000 0.997 578 G CA 0.371 45.506 45.100 0.058 0.000 0.652 578 G HN 0.511 nan 8.290 nan 0.000 0.500 579 M N -1.588 117.914 119.600 -0.163 0.000 2.060 579 M HA 0.446 4.921 4.480 -0.008 0.000 0.273 579 M C 0.038 176.416 176.300 0.131 0.000 1.139 579 M CA 0.358 55.597 55.300 -0.100 0.000 1.091 579 M CB 1.551 34.026 32.600 -0.208 0.000 1.860 579 M HN 0.230 nan 8.290 nan 0.000 0.638 580 F N 3.474 123.386 119.950 -0.063 0.000 3.483 580 F HA 0.360 4.882 4.527 -0.008 0.000 0.402 580 F C -2.775 173.019 175.800 -0.010 0.000 1.202 580 F CA -1.693 56.327 58.000 0.032 0.000 1.337 580 F CB 1.458 40.513 39.000 0.092 0.000 2.157 580 F HN -0.198 nan 8.300 nan 0.000 0.723 581 P HA 0.155 nan 4.420 nan 0.000 0.274 581 P C -0.691 176.641 177.300 0.052 0.000 1.237 581 P CA 0.203 63.343 63.100 0.067 0.000 0.793 581 P CB 2.297 33.967 31.700 -0.051 0.000 0.977 582 S N 0.367 116.114 115.700 0.079 0.000 4.337 582 S HA 0.364 4.829 4.470 -0.008 0.000 0.207 582 S C 1.799 176.419 174.600 0.033 0.000 1.031 582 S CA 0.798 59.023 58.200 0.042 0.000 1.792 582 S CB -0.867 62.357 63.200 0.040 0.000 0.767 582 S HN 0.532 nan 8.310 nan 0.000 0.736 583 Q N 0.210 120.030 119.800 0.034 0.000 1.579 583 Q HA -0.031 4.304 4.340 -0.008 0.000 0.490 583 Q C 2.696 178.709 176.000 0.023 0.000 0.970 583 Q CA 3.240 59.061 55.803 0.030 0.000 0.898 583 Q CB -1.972 26.785 28.738 0.032 0.000 0.936 583 Q HN 1.233 nan 8.270 nan 0.000 0.385 584 M N 0.397 120.008 119.600 0.019 0.000 2.345 584 M HA -0.197 4.278 4.480 -0.008 0.000 0.253 584 M C 2.609 178.924 176.300 0.026 0.000 1.068 584 M CA 4.423 59.734 55.300 0.019 0.000 1.069 584 M CB -2.369 30.242 32.600 0.017 0.000 1.292 584 M HN 1.544 nan 8.290 nan 0.000 0.430 585 S N -0.152 115.569 115.700 0.035 0.000 2.584 585 S HA 0.396 4.861 4.470 -0.008 0.000 0.240 585 S C 2.042 176.649 174.600 0.012 0.000 0.975 585 S CA 2.739 60.961 58.200 0.036 0.000 0.949 585 S CB -1.214 62.020 63.200 0.057 0.000 0.761 585 S HN 1.797 nan 8.310 nan 0.000 0.536 586 L N 0.086 121.314 121.223 0.008 0.000 2.379 586 L HA 0.480 4.815 4.340 -0.008 0.000 0.190 586 L C 2.025 178.895 176.870 -0.001 0.000 1.111 586 L CA 1.176 56.013 54.840 -0.004 0.000 0.820 586 L CB -1.582 40.477 42.059 -0.000 0.000 1.046 586 L HN 0.489 nan 8.230 nan 0.000 0.485 587 D N 0.640 121.043 120.400 0.004 0.000 2.636 587 D HA 0.481 5.117 4.640 -0.008 0.000 0.256 587 D C 0.597 176.901 176.300 0.005 0.000 1.280 587 D CA 1.709 55.712 54.000 0.004 0.000 0.910 587 D CB -1.678 39.125 40.800 0.005 0.000 1.045 587 D HN 2.181 nan 8.370 nan 0.000 0.472 588 E N -3.026 117.178 120.200 0.006 0.000 7.527 588 E HA 0.415 4.761 4.350 -0.008 0.000 0.372 588 E C 0.650 177.260 176.600 0.017 0.000 0.613 588 E CA 0.707 57.113 56.400 0.010 0.000 1.157 588 E CB -1.435 28.270 29.700 0.008 0.000 0.937 588 E HN 1.997 nan 8.360 nan 0.000 0.262 589 G N -0.803 108.010 108.800 0.022 0.000 2.649 589 G HA2 0.916 4.871 3.960 -0.008 0.000 0.078 589 G HA3 0.916 4.871 3.960 -0.008 0.000 0.078 589 G C 0.882 175.804 174.900 0.036 0.000 1.110 589 G CA 1.661 46.780 45.100 0.032 0.000 1.269 589 G HN 2.201 nan 8.290 nan 0.000 0.581 590 G N -2.265 106.563 108.800 0.047 0.000 4.611 590 G HA2 0.468 4.423 3.960 -0.008 0.000 0.220 590 G HA3 0.468 4.423 3.960 -0.008 0.000 0.220 590 G C 1.004 175.945 174.900 0.068 0.000 0.717 590 G CA 1.347 46.477 45.100 0.050 0.000 0.953 590 G HN 1.438 nan 8.290 nan 0.000 0.728 591 R N 0.235 120.783 120.500 0.080 0.000 2.316 591 R HA 0.521 4.856 4.340 -0.008 0.000 0.202 591 R C 2.196 178.566 176.300 0.116 0.000 1.029 591 R CA 1.367 57.532 56.100 0.108 0.000 1.018 591 R CB -0.721 29.648 30.300 0.116 0.000 0.888 591 R HN 0.702 nan 8.270 nan 0.000 0.471 592 L N 0.850 122.131 121.223 0.097 0.000 1.990 592 L HA -0.197 4.139 4.340 -0.008 0.000 0.213 592 L C 2.149 179.104 176.870 0.142 0.000 1.072 592 L CA 2.467 57.374 54.840 0.112 0.000 0.755 592 L CB -0.264 41.834 42.059 0.067 0.000 0.889 592 L HN 0.532 nan 8.230 nan 0.000 0.432 593 E N -0.815 119.443 120.200 0.097 0.000 2.204 593 E HA -0.241 4.104 4.350 -0.008 0.000 0.195 593 E C 2.084 178.718 176.600 0.058 0.000 0.990 593 E CA 1.164 57.606 56.400 0.069 0.000 0.821 593 E CB -0.107 29.617 29.700 0.041 0.000 0.750 593 E HN 0.619 nan 8.360 nan 0.000 0.477 594 E N 0.560 120.813 120.200 0.088 0.000 2.072 594 E HA -0.161 4.184 4.350 -0.008 0.000 0.190 594 E C 1.934 178.601 176.600 0.111 0.000 0.982 594 E CA 0.633 57.090 56.400 0.095 0.000 0.803 594 E CB 0.197 29.985 29.700 0.147 0.000 0.755 594 E HN 0.198 nan 8.360 nan 0.000 0.453 595 E N 0.359 120.664 120.200 0.175 0.000 2.153 595 E HA -0.184 4.162 4.350 -0.008 0.000 0.194 595 E C 2.036 178.689 176.600 0.089 0.000 0.988 595 E CA 0.641 57.208 56.400 0.279 0.000 0.811 595 E CB -0.195 29.724 29.700 0.364 0.000 0.746 595 E HN 0.162 nan 8.360 nan 0.000 0.466 596 R N 0.693 121.178 120.500 -0.024 0.000 2.153 596 R HA 0.013 4.349 4.340 -0.008 0.000 0.218 596 R C 2.229 178.351 176.300 -0.297 0.000 1.072 596 R CA 0.526 56.322 56.100 -0.508 0.000 0.990 596 R CB 0.175 30.367 30.300 -0.180 0.000 0.889 596 R HN 0.002 nan 8.270 nan 0.000 0.452 597 R N 0.099 120.534 120.500 -0.107 0.000 2.073 597 R HA -0.097 4.238 4.340 -0.008 0.000 0.229 597 R C 2.235 178.537 176.300 0.003 0.000 1.120 597 R CA 0.915 56.983 56.100 -0.054 0.000 0.967 597 R CB -0.372 29.899 30.300 -0.048 0.000 0.862 597 R HN 0.160 nan 8.270 nan 0.000 0.436 598 L N 1.057 122.274 121.223 -0.009 0.000 2.012 598 L HA -0.138 4.197 4.340 -0.008 0.000 0.210 598 L C 2.305 179.207 176.870 0.052 0.000 1.073 598 L CA 2.012 56.831 54.840 -0.035 0.000 0.748 598 L CB -0.703 41.342 42.059 -0.024 0.000 0.891 598 L HN 0.120 nan 8.230 nan 0.000 0.431 599 A N -1.201 121.671 122.820 0.088 0.000 1.892 599 A HA -0.346 3.969 4.320 -0.008 0.000 0.218 599 A C 2.340 179.899 177.584 -0.042 0.000 1.188 599 A CA 2.132 54.163 52.037 -0.011 0.000 0.631 599 A CB -1.434 17.162 19.000 -0.672 0.000 0.822 599 A HN 0.663 nan 8.150 nan 0.000 0.447 600 Y N 0.457 120.638 120.300 -0.197 0.000 2.151 600 Y HA -0.226 4.319 4.550 -0.008 0.000 0.284 600 Y C 2.383 178.229 175.900 -0.091 0.000 1.166 600 Y CA 2.026 60.043 58.100 -0.138 0.000 1.163 600 Y CB -0.457 37.927 38.460 -0.127 0.000 0.974 600 Y HN 0.073 nan 8.280 nan 0.000 0.511 601 V N 0.160 120.087 119.914 0.021 0.000 2.233 601 V HA -0.311 3.805 4.120 -0.008 0.000 0.247 601 V C 2.660 178.681 176.094 -0.121 0.000 1.050 601 V CA 2.114 64.372 62.300 -0.070 0.000 1.010 601 V CB -1.581 30.222 31.823 -0.033 0.000 0.637 601 V HN 0.655 nan 8.190 nan 0.000 0.444 602 G N -0.067 108.685 108.800 -0.081 0.000 2.529 602 G HA2 -0.282 3.673 3.960 -0.008 0.000 0.219 602 G HA3 -0.282 3.673 3.960 -0.008 0.000 0.219 602 G C 1.670 176.513 174.900 -0.096 0.000 1.177 602 G CA 1.634 46.691 45.100 -0.072 0.000 0.773 602 G HN 0.399 nan 8.290 nan 0.000 0.573 603 V N 1.742 121.584 119.914 -0.120 0.000 2.282 603 V HA -0.202 3.913 4.120 -0.008 0.000 0.249 603 V C 2.995 178.972 176.094 -0.195 0.000 1.057 603 V CA 2.358 64.570 62.300 -0.147 0.000 1.032 603 V CB -1.441 30.284 31.823 -0.164 0.000 0.645 603 V HN 0.647 nan 8.190 nan 0.000 0.447 604 T N -1.785 112.595 114.554 -0.290 0.000 3.361 604 T HA 0.034 4.380 4.350 -0.008 0.000 0.251 604 T C 1.406 176.003 174.700 -0.171 0.000 1.131 604 T CA 0.225 62.157 62.100 -0.281 0.000 1.001 604 T CB -0.284 68.325 68.868 -0.432 0.000 1.003 604 T HN 0.420 nan 8.240 nan 0.000 0.558 605 R N 0.615 121.044 120.500 -0.118 0.000 2.265 605 R HA 0.425 4.760 4.340 -0.008 0.000 0.194 605 R C 1.006 177.287 176.300 -0.031 0.000 0.931 605 R CA 0.223 56.293 56.100 -0.050 0.000 1.032 605 R CB 0.038 30.358 30.300 0.034 0.000 0.980 605 R HN 0.494 nan 8.270 nan 0.000 0.497 606 A N 1.234 124.010 122.820 -0.074 0.000 2.363 606 A HA 0.362 4.677 4.320 -0.008 0.000 0.270 606 A C 1.116 178.643 177.584 -0.095 0.000 1.121 606 A CA -0.181 51.802 52.037 -0.090 0.000 0.800 606 A CB 0.517 19.438 19.000 -0.132 0.000 1.052 606 A HN 0.084 nan 8.150 nan 0.000 0.493 607 M N 0.652 120.199 119.600 -0.088 0.000 2.718 607 M HA 0.014 4.490 4.480 -0.008 0.000 0.259 607 M C 1.881 178.141 176.300 -0.067 0.000 1.240 607 M CA 1.066 56.321 55.300 -0.074 0.000 1.210 607 M CB -0.035 32.530 32.600 -0.058 0.000 1.281 607 M HN 0.878 nan 8.290 nan 0.000 0.515 608 Q N -0.220 119.532 119.800 -0.080 0.000 2.462 608 Q HA 0.145 4.480 4.340 -0.008 0.000 0.224 608 Q C 0.203 176.146 176.000 -0.095 0.000 0.911 608 Q CA 0.482 56.248 55.803 -0.061 0.000 0.925 608 Q CB 0.940 29.667 28.738 -0.018 0.000 1.063 608 Q HN 0.029 nan 8.270 nan 0.000 0.572 609 K N 0.409 120.706 120.400 -0.171 0.000 2.523 609 K HA 0.470 4.785 4.320 -0.008 0.000 0.257 609 K C -2.251 174.179 176.600 -0.284 0.000 0.932 609 K CA -0.572 55.593 56.287 -0.202 0.000 0.812 609 K CB 1.912 34.279 32.500 -0.221 0.000 1.326 609 K HN -0.030 nan 8.250 nan 0.000 0.433 610 L N 2.242 123.330 121.223 -0.226 0.000 2.385 610 L HA 0.674 5.010 4.340 -0.008 0.000 0.273 610 L C -1.424 175.331 176.870 -0.193 0.000 0.990 610 L CA 0.186 54.883 54.840 -0.238 0.000 0.821 610 L CB 2.444 44.418 42.059 -0.142 0.000 1.279 610 L HN 0.719 nan 8.230 nan 0.000 0.412 611 T N 6.025 120.438 114.554 -0.235 0.000 2.847 611 T HA 0.588 4.933 4.350 -0.008 0.000 0.291 611 T C -0.545 174.207 174.700 0.087 0.000 0.998 611 T CA -0.297 61.787 62.100 -0.025 0.000 0.967 611 T CB 0.754 69.665 68.868 0.072 0.000 0.954 611 T HN 0.408 nan 8.240 nan 0.000 0.441 612 L N 3.509 124.806 121.223 0.123 0.000 2.322 612 L HA 0.830 5.165 4.340 -0.008 0.000 0.279 612 L C 0.691 177.658 176.870 0.162 0.000 1.036 612 L CA -0.730 54.203 54.840 0.154 0.000 0.807 612 L CB 1.716 43.867 42.059 0.154 0.000 1.226 612 L HN 0.738 nan 8.230 nan 0.000 0.433 613 T N -1.118 113.535 114.554 0.165 0.000 2.843 613 T HA 0.760 5.105 4.350 -0.008 0.000 0.302 613 T C -1.142 173.599 174.700 0.068 0.000 1.232 613 T CA -0.714 61.401 62.100 0.024 0.000 1.009 613 T CB 2.012 70.964 68.868 0.140 0.000 1.254 613 T HN 0.556 nan 8.240 nan 0.000 0.504 614 Y N -1.232 119.093 120.300 0.042 0.000 2.656 614 Y HA 0.880 5.425 4.550 -0.008 0.000 0.334 614 Y C -0.895 174.970 175.900 -0.057 0.000 1.179 614 Y CA -1.620 56.485 58.100 0.008 0.000 1.050 614 Y CB 0.751 39.215 38.460 0.008 0.000 1.308 614 Y HN 1.049 nan 8.280 nan 0.000 0.456 615 A N 0.572 123.513 122.820 0.203 0.000 2.350 615 A HA 0.590 4.905 4.320 -0.008 0.000 0.318 615 A C 0.486 178.170 177.584 0.166 0.000 1.132 615 A CA -0.344 51.748 52.037 0.092 0.000 0.811 615 A CB 1.124 20.152 19.000 0.047 0.000 1.313 615 A HN 0.972 nan 8.150 nan 0.000 0.454 616 E N -0.367 119.901 120.200 0.114 0.000 2.299 616 E HA 0.105 4.450 4.350 -0.008 0.000 0.193 616 E C -0.293 176.360 176.600 0.088 0.000 0.998 616 E CA 1.089 57.572 56.400 0.137 0.000 0.851 616 E CB 0.076 29.865 29.700 0.148 0.000 0.795 616 E HN 0.399 nan 8.360 nan 0.000 0.492 617 T N 0.584 115.145 114.554 0.012 0.000 2.993 617 T HA 0.458 4.804 4.350 -0.008 0.000 0.312 617 T C -1.137 173.505 174.700 -0.096 0.000 1.115 617 T CA -1.036 60.971 62.100 -0.156 0.000 1.027 617 T CB 2.064 70.784 68.868 -0.247 0.000 1.116 617 T HN 0.313 nan 8.240 nan 0.000 0.464 618 R N -0.738 119.684 120.500 -0.130 0.000 2.668 618 R HA 0.747 5.083 4.340 -0.008 0.000 0.272 618 R C -0.893 175.341 176.300 -0.109 0.000 1.019 618 R CA -1.085 54.970 56.100 -0.075 0.000 0.894 618 R CB 1.350 31.636 30.300 -0.023 0.000 1.228 618 R HN 0.338 nan 8.270 nan 0.000 0.460 619 R N 3.924 124.373 120.500 -0.084 0.000 3.701 619 R HA 0.267 4.603 4.340 -0.008 0.000 0.210 619 R C -0.283 175.969 176.300 -0.080 0.000 1.598 619 R CA -0.338 55.715 56.100 -0.078 0.000 1.427 619 R CB -1.417 28.855 30.300 -0.047 0.000 1.339 619 R HN 0.579 nan 8.270 nan 0.000 0.720 620 L N 5.941 127.088 121.223 -0.127 0.000 2.638 620 L HA 0.157 4.493 4.340 -0.008 0.000 0.273 620 L C 0.139 176.855 176.870 -0.257 0.000 1.147 620 L CA -0.292 54.392 54.840 -0.260 0.000 0.941 620 L CB -0.400 41.463 42.059 -0.327 0.000 1.251 620 L HN 0.764 nan 8.230 nan 0.000 0.479 621 Y N 2.368 122.662 120.300 -0.009 0.000 2.954 621 Y HA -0.070 4.476 4.550 -0.008 0.000 0.216 621 Y C 0.784 176.679 175.900 -0.009 0.000 1.366 621 Y CA 0.370 58.463 58.100 -0.012 0.000 0.952 621 Y CB -1.788 36.663 38.460 -0.015 0.000 1.443 621 Y HN 0.828 nan 8.280 nan 0.000 0.330 622 G N 1.718 110.605 108.800 0.145 0.000 2.039 622 G HA2 -0.076 3.879 3.960 -0.008 0.000 0.207 622 G HA3 -0.076 3.879 3.960 -0.008 0.000 0.207 622 G C -0.308 174.615 174.900 0.038 0.000 1.133 622 G CA -0.337 44.819 45.100 0.094 0.000 1.296 622 G HN 0.616 nan 8.290 nan 0.000 0.459 623 K N 1.564 121.977 120.400 0.021 0.000 2.240 623 K HA 0.602 4.918 4.320 -0.008 0.000 0.237 623 K C -0.029 176.544 176.600 -0.045 0.000 1.027 623 K CA -0.482 55.803 56.287 -0.003 0.000 0.937 623 K CB 0.853 33.359 32.500 0.009 0.000 1.171 623 K HN 0.553 nan 8.250 nan 0.000 0.479 624 E N 0.563 120.726 120.200 -0.062 0.000 2.354 624 E HA 0.230 4.575 4.350 -0.008 0.000 0.269 624 E C -0.615 175.852 176.600 -0.221 0.000 1.036 624 E CA -0.472 55.832 56.400 -0.161 0.000 0.876 624 E CB 1.035 30.632 29.700 -0.172 0.000 1.009 624 E HN 0.065 nan 8.360 nan 0.000 0.416 625 V N 2.234 121.929 119.914 -0.365 0.000 3.102 625 V HA 0.317 4.433 4.120 -0.008 0.000 0.312 625 V C -1.377 174.349 176.094 -0.614 0.000 1.135 625 V CA -0.908 61.187 62.300 -0.343 0.000 1.022 625 V CB 1.507 33.177 31.823 -0.256 0.000 1.056 625 V HN 0.583 nan 8.190 nan 0.000 0.436 626 Y N 1.353 121.532 120.300 -0.202 0.000 2.594 626 Y HA 0.495 5.041 4.550 -0.008 0.000 0.338 626 Y C 0.268 176.048 175.900 -0.200 0.000 1.019 626 Y CA -0.581 57.442 58.100 -0.129 0.000 1.306 626 Y CB 0.474 38.882 38.460 -0.088 0.000 1.094 626 Y HN 0.564 nan 8.280 nan 0.000 0.534 627 H N 2.545 121.634 119.070 0.031 0.000 2.505 627 H HA 0.458 5.009 4.556 -0.008 0.000 0.351 627 H C 0.180 175.490 175.328 -0.029 0.000 1.151 627 H CA -0.483 55.561 56.048 -0.008 0.000 1.339 627 H CB 1.499 31.242 29.762 -0.032 0.000 1.483 627 H HN 0.650 nan 8.280 nan 0.000 0.558 628 R N 1.700 122.229 120.500 0.050 0.000 2.720 628 R HA 0.478 4.813 4.340 -0.008 0.000 0.272 628 R C -2.977 173.213 176.300 -0.184 0.000 0.991 628 R CA -2.053 54.003 56.100 -0.072 0.000 1.010 628 R CB 0.210 30.464 30.300 -0.077 0.000 1.141 628 R HN 0.217 nan 8.270 nan 0.000 0.494 629 P HA -0.055 nan 4.420 nan 0.000 0.263 629 P C -0.622 176.485 177.300 -0.321 0.000 1.175 629 P CA 0.493 63.231 63.100 -0.603 0.000 0.761 629 P CB 0.547 31.777 31.700 -0.783 0.000 0.794 630 S N 2.649 118.197 115.700 -0.253 0.000 2.558 630 S HA -0.055 4.411 4.470 -0.008 0.000 0.291 630 S C 1.662 176.100 174.600 -0.270 0.000 1.306 630 S CA -0.273 57.771 58.200 -0.260 0.000 1.056 630 S CB 0.240 63.331 63.200 -0.182 0.000 0.836 630 S HN 0.519 nan 8.310 nan 0.000 0.504 631 R N 0.968 121.228 120.500 -0.400 0.000 2.237 631 R HA -0.095 4.240 4.340 -0.008 0.000 0.219 631 R C 0.833 177.040 176.300 -0.155 0.000 1.080 631 R CA 1.423 57.351 56.100 -0.287 0.000 0.995 631 R CB -0.475 29.625 30.300 -0.333 0.000 0.875 631 R HN 0.519 nan 8.270 nan 0.000 0.462 632 F N 1.891 121.761 119.950 -0.135 0.000 2.134 632 F HA -0.002 4.520 4.527 -0.008 0.000 0.299 632 F C 2.273 178.037 175.800 -0.060 0.000 1.097 632 F CA 0.238 58.166 58.000 -0.119 0.000 1.264 632 F CB -0.571 38.308 39.000 -0.201 0.000 1.001 632 F HN -0.097 nan 8.300 nan 0.000 0.479 633 I N -0.278 120.377 120.570 0.142 0.000 2.335 633 I HA -0.231 3.935 4.170 -0.008 0.000 0.251 633 I C 2.539 178.698 176.117 0.069 0.000 1.129 633 I CA 1.548 62.913 61.300 0.108 0.000 1.402 633 I CB -1.069 36.995 38.000 0.108 0.000 1.069 633 I HN 0.200 nan 8.210 nan 0.000 0.424 634 G N 0.067 108.885 108.800 0.031 0.000 2.623 634 G HA2 -0.106 3.849 3.960 -0.008 0.000 0.214 634 G HA3 -0.106 3.849 3.960 -0.008 0.000 0.214 634 G C 1.325 176.244 174.900 0.032 0.000 1.138 634 G CA 0.026 45.136 45.100 0.016 0.000 0.794 634 G HN 0.421 nan 8.290 nan 0.000 0.535 635 E N -0.334 119.902 120.200 0.060 0.000 2.489 635 E HA 0.201 4.547 4.350 -0.008 0.000 0.193 635 E C 0.316 176.951 176.600 0.059 0.000 1.057 635 E CA -0.332 56.107 56.400 0.065 0.000 0.866 635 E CB 0.251 30.013 29.700 0.104 0.000 0.916 635 E HN 0.345 nan 8.360 nan 0.000 0.500 636 L N 1.572 122.830 121.223 0.058 0.000 2.399 636 L HA 0.323 4.658 4.340 -0.008 0.000 0.266 636 L C -2.111 174.782 176.870 0.039 0.000 1.114 636 L CA -2.347 52.522 54.840 0.048 0.000 0.804 636 L CB 0.203 42.292 42.059 0.051 0.000 1.146 636 L HN -0.257 nan 8.230 nan 0.000 0.451 637 P HA 0.016 nan 4.420 nan 0.000 0.267 637 P C 0.029 177.346 177.300 0.028 0.000 1.200 637 P CA -0.022 63.095 63.100 0.028 0.000 0.772 637 P CB 0.564 32.279 31.700 0.025 0.000 0.855 638 E N 1.181 121.396 120.200 0.025 0.000 2.208 638 E HA -0.170 4.176 4.350 -0.008 0.000 0.193 638 E C 1.142 177.757 176.600 0.025 0.000 0.988 638 E CA 1.013 57.428 56.400 0.026 0.000 0.828 638 E CB 0.060 29.773 29.700 0.022 0.000 0.763 638 E HN 0.551 nan 8.360 nan 0.000 0.478 639 E N -0.043 120.170 120.200 0.022 0.000 2.158 639 E HA -0.102 4.243 4.350 -0.008 0.000 0.191 639 E C 1.818 178.431 176.600 0.020 0.000 0.982 639 E CA 0.810 57.222 56.400 0.020 0.000 0.823 639 E CB -0.369 29.341 29.700 0.017 0.000 0.766 639 E HN 0.227 nan 8.360 nan 0.000 0.468 640 C N 0.617 119.930 119.300 0.021 0.000 2.539 640 C HA 0.227 4.682 4.460 -0.008 0.000 0.268 640 C C 1.045 176.048 174.990 0.021 0.000 1.395 640 C CA -0.651 58.378 59.018 0.018 0.000 1.757 640 C CB -0.526 27.223 27.740 0.015 0.000 1.851 640 C HN 0.084 nan 8.230 nan 0.000 0.545 641 V N 1.452 121.383 119.914 0.029 0.000 2.837 641 V HA 0.417 4.532 4.120 -0.008 0.000 0.310 641 V C -0.168 175.950 176.094 0.040 0.000 1.059 641 V CA -0.188 62.134 62.300 0.038 0.000 1.004 641 V CB 1.676 33.527 31.823 0.046 0.000 1.045 641 V HN 0.447 nan 8.190 nan 0.000 0.465 642 E N 2.349 122.578 120.200 0.049 0.000 2.378 642 E HA 0.217 4.562 4.350 -0.008 0.000 0.282 642 E C -1.003 175.636 176.600 0.065 0.000 0.910 642 E CA -0.437 55.995 56.400 0.052 0.000 0.816 642 E CB 1.413 31.143 29.700 0.050 0.000 1.359 642 E HN 0.821 nan 8.360 nan 0.000 0.397 643 E N 3.855 124.091 120.200 0.059 0.000 2.223 643 E HA 0.271 4.616 4.350 -0.008 0.000 0.282 643 E C -0.750 175.886 176.600 0.060 0.000 1.046 643 E CA -0.500 55.934 56.400 0.056 0.000 0.857 643 E CB 1.099 30.827 29.700 0.046 0.000 1.055 643 E HN 0.253 nan 8.360 nan 0.000 0.409 644 V N 4.314 124.277 119.914 0.082 0.000 2.837 644 V HA 0.624 4.740 4.120 -0.008 0.000 0.310 644 V C 0.051 176.184 176.094 0.066 0.000 1.059 644 V CA -0.527 61.847 62.300 0.123 0.000 1.004 644 V CB 1.654 33.621 31.823 0.241 0.000 1.045 644 V HN 0.786 nan 8.190 nan 0.000 0.465 645 R N 1.734 122.280 120.500 0.076 0.000 2.739 645 R HA 0.562 4.898 4.340 -0.008 0.000 0.266 645 R C -2.338 173.989 176.300 0.044 0.000 1.044 645 R CA -0.536 55.560 56.100 -0.007 0.000 0.885 645 R CB 1.111 31.383 30.300 -0.047 0.000 1.260 645 R HN 0.645 nan 8.270 nan 0.000 0.477 646 L N 2.179 123.408 121.223 0.009 0.000 2.317 646 L HA 0.911 5.246 4.340 -0.008 0.000 0.281 646 L C 0.200 177.120 176.870 0.083 0.000 1.024 646 L CA -0.886 53.994 54.840 0.066 0.000 0.810 646 L CB 1.622 43.724 42.059 0.072 0.000 1.240 646 L HN 0.846 nan 8.230 nan 0.000 0.427 647 R N 1.952 122.506 120.500 0.091 0.000 2.686 647 R HA 0.820 5.156 4.340 -0.008 0.000 0.286 647 R C -0.390 175.962 176.300 0.087 0.000 0.969 647 R CA -0.260 55.890 56.100 0.084 0.000 0.898 647 R CB 1.544 31.878 30.300 0.056 0.000 1.183 647 R HN 0.791 nan 8.270 nan 0.000 0.456 648 A N 1.668 124.534 122.820 0.078 0.000 2.666 648 A HA 0.551 4.866 4.320 -0.008 0.000 0.301 648 A C 0.864 178.473 177.584 0.042 0.000 1.470 648 A CA 0.635 52.708 52.037 0.059 0.000 1.159 648 A CB -0.994 18.029 19.000 0.038 0.000 1.116 648 A HN 1.577 nan 8.150 nan 0.000 0.548 649 T N 1.449 116.029 114.554 0.043 0.000 2.891 649 T HA 0.553 4.898 4.350 -0.008 0.000 0.315 649 T C 0.050 174.766 174.700 0.027 0.000 1.054 649 T CA 0.150 62.270 62.100 0.033 0.000 0.958 649 T CB -0.155 68.734 68.868 0.035 0.000 1.008 649 T HN 1.481 nan 8.240 nan 0.000 0.521 650 V N 2.318 122.245 119.914 0.021 0.000 2.356 650 V HA 0.732 4.847 4.120 -0.008 0.000 0.258 650 V C 0.810 176.912 176.094 0.015 0.000 1.065 650 V CA -0.355 61.955 62.300 0.016 0.000 0.935 650 V CB -0.210 31.620 31.823 0.011 0.000 1.061 650 V HN 1.078 nan 8.190 nan 0.000 0.484 651 S N 4.335 120.044 115.700 0.015 0.000 2.410 651 S HA 0.682 5.148 4.470 -0.008 0.000 0.304 651 S C 0.766 175.373 174.600 0.011 0.000 1.095 651 S CA -0.067 58.141 58.200 0.014 0.000 1.089 651 S CB 0.128 63.337 63.200 0.015 0.000 0.968 651 S HN 1.756 nan 8.310 nan 0.000 0.480 652 R N 2.620 123.125 120.500 0.009 0.000 2.474 652 R HA 0.607 4.942 4.340 -0.008 0.000 0.339 652 R C -0.231 176.074 176.300 0.008 0.000 1.033 652 R CA -0.196 55.908 56.100 0.008 0.000 0.997 652 R CB -1.983 28.321 30.300 0.007 0.000 0.963 652 R HN 1.231 nan 8.270 nan 0.000 0.438 653 P HA 0.000 nan 4.420 nan 0.000 0.216 653 P CA 0.000 63.105 63.100 0.008 0.000 0.800 653 P CB 0.000 31.704 31.700 0.008 0.000 0.726