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 3q8n_1_A DATA FIRST_RESID 11 DATA SEQUENCE TLTQERRLVT AIPGPISQEL QARKQSAVAA GVGVTLPVYV VAAGGGVLAD DATA SEQUENCE ADGNQLIDFG SGIAVTTVGN SAPAVVDAVT QQVAAFTHTC FMVTPYEGYV DATA SEQUENCE KVAEHLNRLT PGDHEKRTAL FNSGAEAVEN AVKIARAYTR RQAVVVFDHA DATA SEQUENCE YHGRTNLTMA MTAKNQPYKH GFGPFANEVY RVPTSYPFRD GETDGAAAAA DATA SEQUENCE HALDLINKQV GADNVAAVVI EPVHGEGGFV VPAPGFLGAL QKWCTDNGAV DATA SEQUENCE FVADEVQTGF ARTGALFACE HENVVPDLIV TAKGIAGGLP LSAVTGRAEI DATA SEQUENCE MDGPQSGGLG GTYGGNPLAC AAALAVIDTI ERENLVARAR AIGETMLSRL DATA SEQUENCE GALAAADPRI GEVRGRGAMI AVELVKPGTT EPDADLTKRV AAAAHAQGLV DATA SEQUENCE VLTCGTYGNV LRFLPPLSMP DHLLDEGLDI LAAVFAEV 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 11 T HA 0.000 nan 4.350 nan 0.000 0.228 11 T C 0.000 174.704 174.700 0.007 0.000 1.109 11 T CA 0.000 62.103 62.100 0.005 0.000 1.349 11 T CB 0.000 68.869 68.868 0.002 0.000 0.612 12 L N 0.835 122.065 121.223 0.011 0.000 2.431 12 L HA 0.804 5.144 4.340 -0.000 0.000 0.266 12 L C -0.923 175.959 176.870 0.021 0.000 0.978 12 L CA -0.648 54.200 54.840 0.013 0.000 0.822 12 L CB 2.258 44.324 42.059 0.012 0.000 1.310 12 L HN 0.036 nan 8.230 nan 0.000 0.409 13 T N 3.003 117.571 114.554 0.023 0.000 2.851 13 T HA 0.173 4.523 4.350 -0.000 0.000 0.298 13 T C 0.036 174.765 174.700 0.048 0.000 0.977 13 T CA -0.251 61.868 62.100 0.033 0.000 1.126 13 T CB 0.677 69.562 68.868 0.027 0.000 0.916 13 T HN 0.486 nan 8.240 nan 0.000 0.529 14 Q N 3.215 123.060 119.800 0.075 0.000 2.837 14 Q HA 0.230 4.570 4.340 -0.000 0.000 0.235 14 Q C -0.050 176.042 176.000 0.153 0.000 1.348 14 Q CA 0.306 56.170 55.803 0.102 0.000 0.990 14 Q CB -0.154 28.668 28.738 0.140 0.000 1.570 14 Q HN 0.695 nan 8.270 nan 0.000 0.575 15 E N 0.996 121.250 120.200 0.090 0.000 2.321 15 E HA 0.255 4.605 4.350 -0.000 0.000 0.281 15 E C -1.131 175.495 176.600 0.044 0.000 0.910 15 E CA -0.616 55.836 56.400 0.087 0.000 0.770 15 E CB 1.931 31.670 29.700 0.065 0.000 1.225 15 E HN 0.263 nan 8.360 nan 0.000 0.417 16 R N 3.349 123.870 120.500 0.035 0.000 2.491 16 R HA 0.298 4.638 4.340 -0.000 0.000 0.283 16 R C -0.593 175.715 176.300 0.013 0.000 1.072 16 R CA 0.027 56.133 56.100 0.011 0.000 1.048 16 R CB 0.733 31.030 30.300 -0.004 0.000 0.983 16 R HN 0.504 nan 8.270 nan 0.000 0.450 17 R N 5.312 125.816 120.500 0.007 0.000 2.518 17 R HA 0.243 4.583 4.340 -0.000 0.000 0.287 17 R C -1.671 174.631 176.300 0.004 0.000 1.135 17 R CA -0.532 55.572 56.100 0.008 0.000 0.967 17 R CB 0.991 31.297 30.300 0.011 0.000 1.212 17 R HN 0.544 nan 8.270 nan 0.000 0.422 18 L N 6.462 127.687 121.223 0.004 0.000 2.356 18 L HA 0.294 4.634 4.340 -0.000 0.000 0.264 18 L C 1.322 178.194 176.870 0.004 0.000 1.029 18 L CA -0.560 54.282 54.840 0.003 0.000 0.897 18 L CB 1.681 43.740 42.059 0.002 0.000 1.256 18 L HN 0.574 nan 8.230 nan 0.000 0.444 19 V N -1.119 118.798 119.914 0.005 0.000 2.878 19 V HA 0.094 4.214 4.120 -0.000 0.000 0.250 19 V C 1.070 177.167 176.094 0.005 0.000 1.075 19 V CA 1.026 63.329 62.300 0.005 0.000 1.096 19 V CB -0.065 31.762 31.823 0.005 0.000 0.724 19 V HN 0.746 nan 8.190 nan 0.000 0.467 20 T N -2.136 112.421 114.554 0.006 0.000 2.910 20 T HA 0.819 5.169 4.350 -0.000 0.000 0.287 20 T C 0.133 174.837 174.700 0.007 0.000 1.050 20 T CA -0.118 61.985 62.100 0.006 0.000 1.011 20 T CB 1.655 70.528 68.868 0.008 0.000 1.195 20 T HN 0.920 nan 8.240 nan 0.000 0.540 21 A N 0.671 123.495 122.820 0.007 0.000 2.507 21 A HA 0.533 4.853 4.320 -0.000 0.000 0.235 21 A C 0.245 177.837 177.584 0.013 0.000 1.070 21 A CA -0.441 51.602 52.037 0.009 0.000 0.768 21 A CB -0.601 18.404 19.000 0.008 0.000 1.011 21 A HN 0.795 nan 8.150 nan 0.000 0.502 22 I N 3.215 123.794 120.570 0.015 0.000 2.355 22 I HA 0.292 4.462 4.170 -0.000 0.000 0.288 22 I C -1.834 174.298 176.117 0.025 0.000 0.999 22 I CA -1.663 59.649 61.300 0.020 0.000 1.163 22 I CB 1.558 39.570 38.000 0.020 0.000 1.316 22 I HN 0.583 nan 8.210 nan 0.000 0.454 23 P HA 0.307 nan 4.420 nan 0.000 0.279 23 P C 0.025 177.343 177.300 0.030 0.000 1.252 23 P CA -0.160 62.962 63.100 0.037 0.000 0.811 23 P CB 1.139 32.874 31.700 0.059 0.000 1.035 24 G N 1.104 109.921 108.800 0.029 0.000 2.588 24 G HA2 0.314 4.274 3.960 -0.000 0.000 0.281 24 G HA3 0.314 4.274 3.960 -0.000 0.000 0.281 24 G C -1.787 173.121 174.900 0.012 0.000 1.236 24 G CA -1.162 43.949 45.100 0.018 0.000 0.969 24 G HN 0.244 nan 8.290 nan 0.000 0.504 25 P HA -0.065 nan 4.420 nan 0.000 0.216 25 P C 1.867 179.153 177.300 -0.022 0.000 1.150 25 P CA 0.930 64.025 63.100 -0.008 0.000 0.837 25 P CB 0.141 31.836 31.700 -0.009 0.000 0.786 26 I N -1.325 119.232 120.570 -0.022 0.000 2.353 26 I HA -0.174 3.996 4.170 -0.000 0.000 0.248 26 I C 2.230 178.298 176.117 -0.082 0.000 1.119 26 I CA 1.241 62.513 61.300 -0.046 0.000 1.417 26 I CB -0.624 37.358 38.000 -0.029 0.000 1.078 26 I HN -0.090 nan 8.210 nan 0.000 0.421 27 S N 0.256 115.941 115.700 -0.024 0.000 2.368 27 S HA -0.229 4.241 4.470 -0.000 0.000 0.225 27 S C 1.978 176.554 174.600 -0.039 0.000 1.030 27 S CA 1.334 59.544 58.200 0.017 0.000 0.999 27 S CB -0.241 63.059 63.200 0.167 0.000 0.844 27 S HN 0.465 nan 8.310 nan 0.000 0.459 28 Q N 0.274 120.065 119.800 -0.015 0.000 2.119 28 Q HA -0.146 4.194 4.340 -0.000 0.000 0.201 28 Q C 2.218 178.181 176.000 -0.060 0.000 0.972 28 Q CA 1.279 57.073 55.803 -0.015 0.000 0.847 28 Q CB -0.120 28.616 28.738 -0.003 0.000 0.903 28 Q HN 0.424 nan 8.270 nan 0.000 0.433 29 E N 1.016 121.163 120.200 -0.089 0.000 2.047 29 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 29 E C 1.739 178.232 176.600 -0.177 0.000 0.987 29 E CA 0.948 57.286 56.400 -0.104 0.000 0.799 29 E CB -0.205 29.440 29.700 -0.091 0.000 0.752 29 E HN 0.272 nan 8.360 nan 0.000 0.449 30 L N 0.226 121.252 121.223 -0.329 0.000 2.042 30 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 30 L C 2.668 179.260 176.870 -0.462 0.000 1.076 30 L CA 1.549 56.036 54.840 -0.587 0.000 0.749 30 L CB -0.383 40.905 42.059 -1.285 0.000 0.893 30 L HN 0.246 nan 8.230 nan 0.000 0.432 31 Q N -0.066 119.576 119.800 -0.265 0.000 2.124 31 Q HA -0.182 4.157 4.340 -0.000 0.000 0.202 31 Q C 2.156 178.158 176.000 0.002 0.000 0.977 31 Q CA 1.918 57.738 55.803 0.028 0.000 0.850 31 Q CB -0.212 28.607 28.738 0.135 0.000 0.901 31 Q HN 0.462 nan 8.270 nan 0.000 0.429 32 A N 0.187 122.986 122.820 -0.035 0.000 1.933 32 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 32 A C 2.065 179.636 177.584 -0.022 0.000 1.175 32 A CA 1.481 53.505 52.037 -0.020 0.000 0.628 32 A CB -0.431 18.554 19.000 -0.026 0.000 0.814 32 A HN 0.387 nan 8.150 nan 0.000 0.444 33 R N -0.487 119.983 120.500 -0.050 0.000 2.081 33 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 33 R C 2.381 178.678 176.300 -0.005 0.000 1.131 33 R CA 1.438 57.515 56.100 -0.039 0.000 0.960 33 R CB -0.249 30.008 30.300 -0.073 0.000 0.856 33 R HN 0.423 nan 8.270 nan 0.000 0.436 34 K N 1.394 121.803 120.400 0.015 0.000 2.032 34 K HA -0.217 4.103 4.320 -0.000 0.000 0.209 34 K C 1.810 178.440 176.600 0.049 0.000 1.048 34 K CA 1.747 58.074 56.287 0.067 0.000 0.927 34 K CB -0.011 32.578 32.500 0.149 0.000 0.712 34 K HN 0.292 nan 8.250 nan 0.000 0.441 35 Q N -0.286 119.538 119.800 0.039 0.000 2.291 35 Q HA -0.026 4.314 4.340 -0.000 0.000 0.205 35 Q C 1.783 177.797 176.000 0.023 0.000 0.970 35 Q CA 1.269 57.091 55.803 0.032 0.000 0.876 35 Q CB 0.185 28.939 28.738 0.028 0.000 0.935 35 Q HN 0.220 nan 8.270 nan 0.000 0.455 36 S N -0.684 115.025 115.700 0.016 0.000 2.503 36 S HA 0.155 4.625 4.470 -0.000 0.000 0.217 36 S C 1.397 176.006 174.600 0.014 0.000 0.999 36 S CA 0.491 58.699 58.200 0.012 0.000 0.914 36 S CB 0.519 63.722 63.200 0.004 0.000 0.782 36 S HN 0.409 nan 8.310 nan 0.000 0.520 37 A N 0.428 123.259 122.820 0.019 0.000 2.138 37 A HA 0.506 4.825 4.320 -0.000 0.000 0.203 37 A C 0.482 178.082 177.584 0.027 0.000 1.286 37 A CA 0.093 52.142 52.037 0.020 0.000 0.929 37 A CB 0.545 19.556 19.000 0.019 0.000 0.975 37 A HN 0.225 nan 8.150 nan 0.000 0.480 38 V N 0.874 120.808 119.914 0.033 0.000 2.513 38 V HA 0.645 4.765 4.120 -0.000 0.000 0.299 38 V C 0.617 176.733 176.094 0.036 0.000 1.035 38 V CA -0.911 61.411 62.300 0.037 0.000 0.889 38 V CB 1.200 33.052 31.823 0.047 0.000 0.988 38 V HN 0.484 nan 8.190 nan 0.000 0.440 39 A N 3.304 126.146 122.820 0.035 0.000 2.565 39 A HA 0.441 4.761 4.320 -0.000 0.000 0.237 39 A C 1.637 179.247 177.584 0.043 0.000 1.053 39 A CA 0.558 52.618 52.037 0.039 0.000 0.755 39 A CB 0.119 19.142 19.000 0.039 0.000 0.980 39 A HN 1.508 nan 8.150 nan 0.000 0.506 40 A N 2.957 125.804 122.820 0.045 0.000 1.986 40 A HA 0.005 4.325 4.320 -0.000 0.000 0.220 40 A C 2.242 179.859 177.584 0.055 0.000 1.171 40 A CA 2.257 54.322 52.037 0.047 0.000 0.640 40 A CB -1.125 17.902 19.000 0.044 0.000 0.811 40 A HN 1.549 nan 8.150 nan 0.000 0.451 41 G N -0.861 107.980 108.800 0.069 0.000 2.479 41 G HA2 0.059 4.019 3.960 -0.000 0.000 0.220 41 G HA3 0.059 4.019 3.960 -0.000 0.000 0.220 41 G C 0.610 175.554 174.900 0.074 0.000 1.115 41 G CA 0.909 46.062 45.100 0.089 0.000 0.757 41 G HN 0.356 nan 8.290 nan 0.000 0.560 42 V N 1.950 121.897 119.914 0.055 0.000 2.276 42 V HA 0.478 4.598 4.120 -0.000 0.000 0.249 42 V C 1.067 177.183 176.094 0.037 0.000 1.160 42 V CA -0.401 61.926 62.300 0.045 0.000 1.042 42 V CB 0.178 32.022 31.823 0.037 0.000 1.224 42 V HN 0.229 nan 8.190 nan 0.000 0.496 43 G N 3.355 112.176 108.800 0.035 0.000 2.420 43 G HA2 0.512 4.472 3.960 -0.000 0.000 0.284 43 G HA3 0.512 4.472 3.960 -0.000 0.000 0.284 43 G C -0.694 174.210 174.900 0.007 0.000 1.177 43 G CA -0.340 44.774 45.100 0.023 0.000 0.841 43 G HN 0.435 nan 8.290 nan 0.000 0.527 44 V N 2.031 121.944 119.914 -0.002 0.000 2.384 44 V HA 0.203 4.323 4.120 -0.000 0.000 0.287 44 V C 1.177 177.253 176.094 -0.030 0.000 1.020 44 V CA -0.364 61.919 62.300 -0.029 0.000 0.850 44 V CB 1.243 33.045 31.823 -0.035 0.000 0.987 44 V HN 0.891 nan 8.190 nan 0.000 0.436 45 T N 4.619 119.146 114.554 -0.045 0.000 2.737 45 T HA -0.026 4.324 4.350 -0.000 0.000 0.265 45 T C 0.400 175.060 174.700 -0.066 0.000 1.038 45 T CA 1.394 63.473 62.100 -0.034 0.000 1.144 45 T CB -0.081 68.763 68.868 -0.040 0.000 0.866 45 T HN 0.272 nan 8.240 nan 0.000 0.434 46 L N 2.906 124.041 121.223 -0.146 0.000 2.471 46 L HA 0.403 4.743 4.340 -0.000 0.000 0.263 46 L C -2.527 174.254 176.870 -0.147 0.000 0.985 46 L CA -2.264 52.459 54.840 -0.195 0.000 0.868 46 L CB 1.746 43.555 42.059 -0.417 0.000 1.203 46 L HN -0.167 nan 8.230 nan 0.000 0.429 47 P HA 0.095 nan 4.420 nan 0.000 0.228 47 P C -0.397 176.914 177.300 0.018 0.000 1.748 47 P CA 0.040 63.118 63.100 -0.037 0.000 0.909 47 P CB -0.115 31.634 31.700 0.082 0.000 1.882 48 V N -1.690 118.178 119.914 -0.076 0.000 2.439 48 V HA 0.425 4.544 4.120 -0.000 0.000 0.282 48 V C -0.533 175.517 176.094 -0.074 0.000 1.039 48 V CA -1.091 61.212 62.300 0.006 0.000 0.913 48 V CB 0.527 32.336 31.823 -0.023 0.000 0.983 48 V HN -0.033 nan 8.190 nan 0.000 0.460 49 Y N 3.284 123.571 120.300 -0.022 0.000 2.350 49 Y HA 0.561 5.111 4.550 -0.001 0.000 0.340 49 Y C 0.519 176.409 175.900 -0.016 0.000 1.006 49 Y CA -0.295 57.794 58.100 -0.018 0.000 1.166 49 Y CB 1.673 40.125 38.460 -0.013 0.000 1.168 49 Y HN 0.606 nan 8.280 nan 0.000 0.502 50 V N 5.279 125.203 119.914 0.018 0.000 2.546 50 V HA 0.164 4.284 4.120 -0.000 0.000 0.284 50 V C 0.646 176.763 176.094 0.037 0.000 1.050 50 V CA -0.111 62.194 62.300 0.009 0.000 0.981 50 V CB 1.242 33.045 31.823 -0.033 0.000 0.990 50 V HN 0.778 nan 8.190 nan 0.000 0.474 51 V N 0.862 120.793 119.914 0.029 0.000 3.473 51 V HA 0.808 4.928 4.120 -0.000 0.000 0.253 51 V C 0.438 176.540 176.094 0.013 0.000 1.340 51 V CA 0.669 62.985 62.300 0.027 0.000 1.103 51 V CB 0.279 32.119 31.823 0.030 0.000 0.881 51 V HN 0.989 nan 8.190 nan 0.000 0.451 52 A N -0.306 122.519 122.820 0.008 0.000 2.606 52 A HA 1.006 5.326 4.320 -0.000 0.000 0.293 52 A C -0.763 176.821 177.584 0.001 0.000 1.082 52 A CA -0.113 51.926 52.037 0.003 0.000 0.685 52 A CB 1.607 20.610 19.000 0.004 0.000 1.284 52 A HN 1.874 nan 8.150 nan 0.000 0.408 53 A N -0.458 122.361 122.820 -0.002 0.000 2.594 53 A HA 0.956 5.276 4.320 -0.000 0.000 0.296 53 A C -0.306 177.277 177.584 -0.001 0.000 1.061 53 A CA 0.122 52.158 52.037 -0.001 0.000 0.689 53 A CB 1.221 20.217 19.000 -0.006 0.000 1.280 53 A HN 2.693 nan 8.150 nan 0.000 0.406 54 G N -0.783 108.018 108.800 0.002 0.000 2.387 54 G HA2 0.733 4.693 3.960 -0.000 0.000 0.294 54 G HA3 0.733 4.693 3.960 -0.000 0.000 0.294 54 G C 0.562 175.466 174.900 0.007 0.000 1.509 54 G CA 1.088 46.189 45.100 0.002 0.000 0.806 54 G HN 2.572 nan 8.290 nan 0.000 0.546 55 G N 0.112 108.915 108.800 0.005 0.000 2.620 55 G HA2 0.167 4.127 3.960 -0.000 0.000 0.315 55 G HA3 0.167 4.127 3.960 -0.000 0.000 0.315 55 G C 1.265 176.171 174.900 0.009 0.000 1.179 55 G CA 1.489 46.593 45.100 0.007 0.000 0.971 55 G HN 2.264 nan 8.290 nan 0.000 0.544 56 G N -0.829 107.978 108.800 0.011 0.000 3.651 56 G HA2 0.564 4.524 3.960 -0.000 0.000 0.279 56 G HA3 0.564 4.524 3.960 -0.000 0.000 0.279 56 G C -0.310 174.610 174.900 0.033 0.000 1.024 56 G CA 1.010 46.127 45.100 0.028 0.000 0.813 56 G HN 1.166 nan 8.290 nan 0.000 0.518 57 V N 0.848 120.774 119.914 0.020 0.000 2.735 57 V HA 0.543 4.663 4.120 -0.000 0.000 0.310 57 V C -0.650 175.450 176.094 0.011 0.000 1.061 57 V CA -0.766 61.543 62.300 0.015 0.000 0.913 57 V CB 2.280 34.111 31.823 0.013 0.000 1.005 57 V HN 0.127 nan 8.190 nan 0.000 0.428 58 L N 3.748 124.974 121.223 0.005 0.000 2.313 58 L HA 0.827 5.167 4.340 -0.000 0.000 0.283 58 L C 0.135 177.004 176.870 -0.002 0.000 1.013 58 L CA -0.469 54.369 54.840 -0.003 0.000 0.816 58 L CB 1.782 43.833 42.059 -0.013 0.000 1.236 58 L HN 0.740 nan 8.230 nan 0.000 0.419 59 A N 2.206 125.027 122.820 0.002 0.000 2.288 59 A HA 0.635 4.955 4.320 -0.000 0.000 0.320 59 A C -0.815 176.776 177.584 0.011 0.000 1.217 59 A CA -0.607 51.434 52.037 0.007 0.000 0.840 59 A CB 0.709 19.715 19.000 0.009 0.000 1.179 59 A HN 0.728 nan 8.150 nan 0.000 0.504 60 D N 1.515 121.924 120.400 0.016 0.000 2.487 60 D HA 0.547 5.187 4.640 -0.000 0.000 0.262 60 D C 0.907 177.231 176.300 0.040 0.000 1.130 60 D CA -0.013 54.006 54.000 0.032 0.000 1.038 60 D CB 1.177 41.998 40.800 0.034 0.000 1.142 60 D HN 0.334 nan 8.370 nan 0.000 0.575 61 A N -0.373 122.484 122.820 0.063 0.000 2.066 61 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 61 A C 1.244 178.844 177.584 0.027 0.000 1.157 61 A CA 0.938 53.004 52.037 0.047 0.000 0.670 61 A CB -0.500 18.534 19.000 0.056 0.000 0.804 61 A HN 0.592 nan 8.150 nan 0.000 0.453 62 D N -0.849 119.568 120.400 0.029 0.000 2.319 62 D HA 0.225 4.865 4.640 -0.000 0.000 0.230 62 D C 1.283 177.591 176.300 0.014 0.000 1.094 62 D CA 0.915 54.926 54.000 0.017 0.000 0.856 62 D CB 0.128 40.938 40.800 0.018 0.000 0.915 62 D HN 0.576 nan 8.370 nan 0.000 0.517 63 G N 1.378 110.187 108.800 0.015 0.000 2.176 63 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.253 63 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.253 63 G C 0.316 175.222 174.900 0.011 0.000 0.979 63 G CA -0.397 44.710 45.100 0.011 0.000 0.641 63 G HN 0.238 nan 8.290 nan 0.000 0.530 64 N N 0.926 119.633 118.700 0.012 0.000 2.508 64 N HA 0.335 5.074 4.740 -0.000 0.000 0.264 64 N C 0.080 175.594 175.510 0.007 0.000 1.216 64 N CA 0.410 53.465 53.050 0.009 0.000 0.943 64 N CB 0.510 39.002 38.487 0.008 0.000 1.113 64 N HN 0.516 nan 8.380 nan 0.000 0.447 65 Q N 1.612 121.415 119.800 0.005 0.000 2.325 65 Q HA 0.455 4.795 4.340 -0.000 0.000 0.270 65 Q C -0.963 175.034 176.000 -0.004 0.000 1.020 65 Q CA -0.711 55.094 55.803 0.003 0.000 0.785 65 Q CB 1.863 30.607 28.738 0.009 0.000 1.259 65 Q HN 0.303 nan 8.270 nan 0.000 0.452 66 L N 2.263 123.480 121.223 -0.009 0.000 2.330 66 L HA 0.524 4.863 4.340 -0.000 0.000 0.271 66 L C -0.202 176.655 176.870 -0.021 0.000 1.013 66 L CA -0.473 54.354 54.840 -0.021 0.000 0.816 66 L CB 1.414 43.457 42.059 -0.027 0.000 1.287 66 L HN 0.536 nan 8.230 nan 0.000 0.435 67 I N 1.537 122.079 120.570 -0.046 0.000 2.371 67 I HA 0.106 4.276 4.170 -0.000 0.000 0.290 67 I C -0.215 175.906 176.117 0.006 0.000 1.028 67 I CA -0.175 61.098 61.300 -0.044 0.000 1.345 67 I CB 0.879 38.789 38.000 -0.150 0.000 1.407 67 I HN 0.530 nan 8.210 nan 0.000 0.501 68 D N 6.740 127.207 120.400 0.113 0.000 2.441 68 D HA 0.139 4.779 4.640 -0.000 0.000 0.221 68 D C -0.037 176.494 176.300 0.385 0.000 1.156 68 D CA -0.122 53.977 54.000 0.166 0.000 0.896 68 D CB 0.370 41.230 40.800 0.100 0.000 1.028 68 D HN 0.204 nan 8.370 nan 0.000 0.509 69 F N 1.708 121.697 119.950 0.064 0.000 2.660 69 F HA 0.352 4.879 4.527 -0.000 0.000 0.297 69 F C 1.765 177.624 175.800 0.099 0.000 1.132 69 F CA -0.527 57.540 58.000 0.112 0.000 1.372 69 F CB 0.770 39.890 39.000 0.199 0.000 1.003 69 F HN 0.486 nan 8.300 nan 0.000 0.524 70 G N -1.850 107.070 108.800 0.199 0.000 2.739 70 G HA2 0.044 4.004 3.960 -0.000 0.000 0.200 70 G HA3 0.044 4.004 3.960 -0.000 0.000 0.200 70 G C 0.932 175.875 174.900 0.071 0.000 1.069 70 G CA 0.457 45.621 45.100 0.108 0.000 0.768 70 G HN 0.025 nan 8.290 nan 0.000 0.565 71 S N -0.641 115.096 115.700 0.061 0.000 3.521 71 S HA -0.144 4.326 4.470 -0.000 0.000 0.328 71 S C 1.614 176.227 174.600 0.022 0.000 1.165 71 S CA 1.374 59.595 58.200 0.035 0.000 0.941 71 S CB -1.613 61.605 63.200 0.030 0.000 0.951 71 S HN 2.157 nan 8.310 nan 0.000 0.539 72 G N 0.860 109.670 108.800 0.017 0.000 2.221 72 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.265 72 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.265 72 G C 0.232 175.139 174.900 0.013 0.000 1.041 72 G CA -0.122 44.980 45.100 0.004 0.000 0.807 72 G HN 1.485 nan 8.290 nan 0.000 0.502 73 I N -3.549 117.035 120.570 0.024 0.000 6.296 73 I HA -0.233 3.937 4.170 -0.000 0.000 0.126 73 I C 1.365 177.512 176.117 0.050 0.000 1.823 73 I CA 1.268 62.591 61.300 0.037 0.000 2.040 73 I CB -2.688 35.327 38.000 0.025 0.000 3.466 73 I HN 2.367 nan 8.210 nan 0.000 0.170 74 A N -0.235 122.616 122.820 0.052 0.000 2.996 74 A HA -0.144 4.175 4.320 -0.000 0.000 0.257 74 A C 1.030 178.633 177.584 0.032 0.000 1.394 74 A CA 1.138 53.202 52.037 0.045 0.000 0.820 74 A CB -1.778 17.253 19.000 0.052 0.000 1.054 74 A HN 0.809 nan 8.150 nan 0.000 0.619 75 V N -0.433 119.493 119.914 0.020 0.000 2.743 75 V HA 0.027 4.146 4.120 -0.000 0.000 0.237 75 V C 1.954 178.040 176.094 -0.013 0.000 1.113 75 V CA 1.927 64.230 62.300 0.005 0.000 1.141 75 V CB 0.181 32.005 31.823 0.002 0.000 0.873 75 V HN 1.196 nan 8.190 nan 0.000 0.486 76 T N -1.513 113.035 114.554 -0.010 0.000 3.820 76 T HA 0.020 4.369 4.350 -0.000 0.000 0.224 76 T C 1.155 175.845 174.700 -0.017 0.000 0.869 76 T CA 0.500 62.589 62.100 -0.019 0.000 0.932 76 T CB -0.263 68.597 68.868 -0.015 0.000 1.259 76 T HN 0.330 nan 8.240 nan 0.000 0.676 77 T N 1.565 116.108 114.554 -0.019 0.000 2.759 77 T HA -0.115 4.235 4.350 -0.000 0.000 0.269 77 T C 2.065 176.749 174.700 -0.026 0.000 1.042 77 T CA 1.667 63.756 62.100 -0.018 0.000 1.140 77 T CB -0.322 68.541 68.868 -0.009 0.000 0.864 77 T HN 0.697 nan 8.240 nan 0.000 0.455 78 V N -1.270 118.622 119.914 -0.036 0.000 3.623 78 V HA 0.580 4.700 4.120 -0.000 0.000 0.271 78 V C 0.862 176.938 176.094 -0.030 0.000 1.248 78 V CA 0.139 62.417 62.300 -0.037 0.000 1.156 78 V CB -1.279 30.513 31.823 -0.052 0.000 0.870 78 V HN 0.600 nan 8.190 nan 0.000 0.453 79 G N 0.295 109.080 108.800 -0.025 0.000 2.674 79 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.686 79 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.686 79 G C -0.764 174.123 174.900 -0.021 0.000 1.195 79 G CA -0.373 44.716 45.100 -0.018 0.000 0.776 79 G HN 0.431 nan 8.290 nan 0.000 0.654 80 N N 0.331 119.022 118.700 -0.015 0.000 2.513 80 N HA 0.336 5.076 4.740 -0.000 0.000 0.268 80 N C 1.194 176.693 175.510 -0.019 0.000 1.180 80 N CA 1.002 54.042 53.050 -0.017 0.000 0.948 80 N CB 0.618 39.098 38.487 -0.011 0.000 1.083 80 N HN 1.172 nan 8.380 nan 0.000 0.455 81 S N -0.059 115.627 115.700 -0.025 0.000 3.491 81 S HA -0.222 4.248 4.470 -0.000 0.000 0.371 81 S C 0.202 174.786 174.600 -0.026 0.000 0.980 81 S CA 0.551 58.735 58.200 -0.026 0.000 1.204 81 S CB -1.442 61.746 63.200 -0.020 0.000 0.915 81 S HN 0.795 nan 8.310 nan 0.000 0.482 82 A N 1.613 124.414 122.820 -0.031 0.000 2.567 82 A HA 0.345 4.665 4.320 -0.000 0.000 0.240 82 A C 0.015 177.580 177.584 -0.031 0.000 1.053 82 A CA -0.543 51.476 52.037 -0.031 0.000 0.755 82 A CB 0.109 19.086 19.000 -0.038 0.000 0.978 82 A HN 0.339 nan 8.150 nan 0.000 0.507 83 P HA -0.253 nan 4.420 nan 0.000 0.215 83 P C 1.563 178.845 177.300 -0.030 0.000 1.157 83 P CA 2.429 65.515 63.100 -0.024 0.000 0.874 83 P CB 0.011 31.700 31.700 -0.018 0.000 0.790 84 A N -0.381 122.419 122.820 -0.034 0.000 1.902 84 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 84 A C 2.495 180.050 177.584 -0.048 0.000 1.181 84 A CA 1.880 53.894 52.037 -0.040 0.000 0.623 84 A CB -1.672 17.302 19.000 -0.043 0.000 0.818 84 A HN 0.052 nan 8.150 nan 0.000 0.443 85 V N -0.242 119.640 119.914 -0.054 0.000 2.287 85 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 85 V C 2.602 178.664 176.094 -0.054 0.000 1.053 85 V CA 2.144 64.408 62.300 -0.061 0.000 1.027 85 V CB -0.888 30.897 31.823 -0.064 0.000 0.646 85 V HN 0.384 nan 8.190 nan 0.000 0.447 86 V N 0.320 120.208 119.914 -0.044 0.000 2.255 86 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 86 V C 2.302 178.372 176.094 -0.040 0.000 1.051 86 V CA 2.385 64.661 62.300 -0.039 0.000 1.018 86 V CB -0.815 30.990 31.823 -0.031 0.000 0.641 86 V HN 0.570 nan 8.190 nan 0.000 0.445 87 D N 0.476 120.854 120.400 -0.037 0.000 2.092 87 D HA -0.151 4.489 4.640 -0.000 0.000 0.193 87 D C 2.223 178.497 176.300 -0.042 0.000 0.994 87 D CA 1.831 55.811 54.000 -0.034 0.000 0.828 87 D CB -0.529 40.253 40.800 -0.029 0.000 0.963 87 D HN 0.450 nan 8.370 nan 0.000 0.450 88 A N 0.519 123.309 122.820 -0.049 0.000 1.902 88 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 88 A C 2.529 180.069 177.584 -0.072 0.000 1.181 88 A CA 1.262 53.264 52.037 -0.059 0.000 0.623 88 A CB -0.692 18.270 19.000 -0.063 0.000 0.818 88 A HN 0.158 nan 8.150 nan 0.000 0.443 89 V N -0.405 119.467 119.914 -0.070 0.000 2.379 89 V HA -0.184 3.935 4.120 -0.000 0.000 0.245 89 V C 2.724 178.773 176.094 -0.075 0.000 1.044 89 V CA 2.354 64.607 62.300 -0.079 0.000 1.036 89 V CB -1.141 30.640 31.823 -0.071 0.000 0.664 89 V HN 0.600 nan 8.190 nan 0.000 0.453 90 T N -0.406 114.113 114.554 -0.058 0.000 2.746 90 T HA -0.300 4.050 4.350 -0.000 0.000 0.267 90 T C 1.896 176.565 174.700 -0.053 0.000 1.039 90 T CA 2.052 64.123 62.100 -0.049 0.000 1.142 90 T CB -0.205 68.641 68.868 -0.036 0.000 0.866 90 T HN 0.563 nan 8.240 nan 0.000 0.444 91 Q N 0.530 120.297 119.800 -0.055 0.000 2.046 91 Q HA -0.174 4.166 4.340 -0.000 0.000 0.200 91 Q C 2.416 178.363 176.000 -0.088 0.000 0.975 91 Q CA 1.451 57.220 55.803 -0.056 0.000 0.836 91 Q CB -0.168 28.543 28.738 -0.045 0.000 0.896 91 Q HN 0.329 nan 8.270 nan 0.000 0.428 92 Q N -0.078 119.648 119.800 -0.124 0.000 2.119 92 Q HA -0.105 4.235 4.340 -0.000 0.000 0.201 92 Q C 1.928 177.794 176.000 -0.225 0.000 0.972 92 Q CA 1.617 57.292 55.803 -0.213 0.000 0.847 92 Q CB -0.570 28.022 28.738 -0.244 0.000 0.903 92 Q HN 0.348 nan 8.270 nan 0.000 0.433 93 V N 0.130 119.957 119.914 -0.146 0.000 2.759 93 V HA -0.085 4.035 4.120 -0.000 0.000 0.256 93 V C 1.808 177.859 176.094 -0.071 0.000 1.080 93 V CA 1.698 63.931 62.300 -0.111 0.000 1.101 93 V CB -0.569 31.210 31.823 -0.073 0.000 0.698 93 V HN 0.476 nan 8.190 nan 0.000 0.477 94 A N -0.935 121.849 122.820 -0.060 0.000 2.119 94 A HA 0.309 4.629 4.320 -0.000 0.000 0.216 94 A C 2.206 179.788 177.584 -0.004 0.000 1.152 94 A CA 1.437 53.460 52.037 -0.024 0.000 0.708 94 A CB -0.358 18.632 19.000 -0.018 0.000 0.805 94 A HN 0.688 nan 8.150 nan 0.000 0.460 95 A N -0.440 122.361 122.820 -0.032 0.000 1.881 95 A HA 0.529 4.849 4.320 -0.000 0.000 0.210 95 A C 0.512 178.206 177.584 0.184 0.000 1.239 95 A CA 1.171 53.238 52.037 0.049 0.000 0.629 95 A CB -0.083 18.922 19.000 0.008 0.000 0.906 95 A HN 1.082 nan 8.150 nan 0.000 0.460 96 F N -3.832 116.100 119.950 -0.030 0.000 2.688 96 F HA 0.491 5.018 4.527 -0.000 0.000 0.308 96 F C 0.434 176.211 175.800 -0.039 0.000 1.117 96 F CA -0.198 57.782 58.000 -0.033 0.000 0.976 96 F CB 0.546 39.517 39.000 -0.048 0.000 1.291 96 F HN -0.031 nan 8.300 nan 0.000 0.439 97 T N -2.244 112.392 114.554 0.136 0.000 3.040 97 T HA 0.282 4.632 4.350 -0.000 0.000 0.252 97 T C -0.108 174.716 174.700 0.206 0.000 1.064 97 T CA 1.358 63.505 62.100 0.079 0.000 1.110 97 T CB -0.408 68.516 68.868 0.093 0.000 0.921 97 T HN 1.074 nan 8.240 nan 0.000 0.480 98 H N -0.391 118.802 119.070 0.205 0.000 3.139 98 H HA 0.412 4.967 4.556 -0.000 0.000 0.325 98 H C 0.161 175.607 175.328 0.197 0.000 1.146 98 H CA 0.124 56.296 56.048 0.205 0.000 1.351 98 H CB 1.207 31.091 29.762 0.204 0.000 2.005 98 H HN 0.014 nan 8.280 nan 0.000 0.517 99 T N 0.814 115.126 114.554 -0.404 0.000 2.986 99 T HA 0.139 4.489 4.350 -0.000 0.000 0.264 99 T C 0.384 174.846 174.700 -0.396 0.000 0.964 99 T CA 0.419 62.344 62.100 -0.292 0.000 0.895 99 T CB -0.586 68.224 68.868 -0.098 0.000 1.163 99 T HN 1.080 nan 8.240 nan 0.000 0.517 100 C N 1.829 120.688 119.300 -0.734 0.000 1.632 100 C HA -0.198 4.262 4.460 -0.000 0.000 0.231 100 C C 1.054 176.085 174.990 0.069 0.000 0.744 100 C CA -0.324 58.623 59.018 -0.119 0.000 3.239 100 C CB -2.691 25.069 27.740 0.034 0.000 1.832 100 C HN 0.703 nan 8.230 nan 0.000 0.254 101 F N 4.164 124.135 119.950 0.036 0.000 2.202 101 F HA -0.066 4.461 4.527 -0.000 0.000 0.301 101 F C 1.914 177.562 175.800 -0.253 0.000 1.082 101 F CA 2.403 60.266 58.000 -0.228 0.000 1.313 101 F CB -0.080 38.641 39.000 -0.466 0.000 1.024 101 F HN 0.721 nan 8.300 nan 0.000 0.495 102 M N -1.094 118.468 119.600 -0.063 0.000 2.562 102 M HA -0.085 4.395 4.480 -0.000 0.000 0.257 102 M C 1.546 177.757 176.300 -0.149 0.000 1.099 102 M CA 0.370 55.600 55.300 -0.116 0.000 1.099 102 M CB 0.051 32.657 32.600 0.009 0.000 1.427 102 M HN 0.061 nan 8.290 nan 0.000 0.489 103 V N -1.009 118.824 119.914 -0.135 0.000 2.398 103 V HA 0.021 4.140 4.120 -0.000 0.000 0.236 103 V C 0.957 176.943 176.094 -0.179 0.000 1.054 103 V CA 1.341 63.571 62.300 -0.118 0.000 1.060 103 V CB 0.185 31.970 31.823 -0.064 0.000 0.707 103 V HN 0.438 nan 8.190 nan 0.000 0.480 104 T N -0.329 114.106 114.554 -0.197 0.000 2.840 104 T HA 0.574 4.924 4.350 -0.000 0.000 0.287 104 T C -2.838 171.670 174.700 -0.320 0.000 0.991 104 T CA -1.807 60.150 62.100 -0.238 0.000 0.964 104 T CB 2.444 71.213 68.868 -0.164 0.000 0.954 104 T HN 0.128 nan 8.240 nan 0.000 0.438 105 P HA 0.543 nan 4.420 nan 0.000 0.293 105 P C -1.401 175.732 177.300 -0.279 0.000 1.304 105 P CA -0.591 61.948 63.100 -0.935 0.000 0.767 105 P CB 0.530 31.354 31.700 -1.460 0.000 1.247 106 Y N -5.026 115.322 120.300 0.079 0.000 2.592 106 Y HA 0.402 4.952 4.550 -0.000 0.000 0.334 106 Y C 1.306 177.408 175.900 0.337 0.000 1.136 106 Y CA -1.003 57.226 58.100 0.215 0.000 1.042 106 Y CB 0.384 39.053 38.460 0.349 0.000 1.325 106 Y HN 0.408 nan 8.280 nan 0.000 0.457 107 E N 1.417 121.865 120.200 0.414 0.000 2.150 107 E HA -0.053 4.297 4.350 -0.000 0.000 0.193 107 E C 1.977 178.765 176.600 0.314 0.000 0.985 107 E CA 1.550 58.126 56.400 0.292 0.000 0.814 107 E CB -0.383 29.443 29.700 0.210 0.000 0.752 107 E HN 1.058 nan 8.360 nan 0.000 0.466 108 G N 0.405 109.448 108.800 0.404 0.000 2.476 108 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.218 108 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.218 108 G C 1.351 176.413 174.900 0.270 0.000 1.164 108 G CA 1.165 46.451 45.100 0.310 0.000 0.768 108 G HN 0.395 nan 8.290 nan 0.000 0.560 109 Y N 1.255 121.662 120.300 0.178 0.000 2.128 109 Y HA -0.163 4.386 4.550 -0.000 0.000 0.284 109 Y C 2.960 178.766 175.900 -0.157 0.000 1.154 109 Y CA 1.605 59.611 58.100 -0.155 0.000 1.149 109 Y CB -0.523 37.484 38.460 -0.755 0.000 0.976 109 Y HN 0.053 nan 8.280 nan 0.000 0.505 110 V N 0.290 120.344 119.914 0.233 0.000 2.343 110 V HA -0.314 3.806 4.120 -0.000 0.000 0.247 110 V C 2.231 178.402 176.094 0.128 0.000 1.051 110 V CA 2.334 64.738 62.300 0.173 0.000 1.036 110 V CB -0.594 31.329 31.823 0.167 0.000 0.654 110 V HN 0.307 nan 8.190 nan 0.000 0.451 111 K N -0.281 120.207 120.400 0.147 0.000 2.097 111 K HA -0.112 4.208 4.320 -0.000 0.000 0.206 111 K C 2.048 178.778 176.600 0.217 0.000 1.049 111 K CA 1.251 57.643 56.287 0.175 0.000 0.933 111 K CB -0.385 32.231 32.500 0.194 0.000 0.717 111 K HN 0.314 nan 8.250 nan 0.000 0.442 112 V N 1.387 121.370 119.914 0.114 0.000 2.295 112 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 112 V C 2.334 178.465 176.094 0.062 0.000 1.049 112 V CA 2.100 64.436 62.300 0.061 0.000 1.024 112 V CB -0.752 31.030 31.823 -0.069 0.000 0.648 112 V HN 0.380 nan 8.190 nan 0.000 0.447 113 A N -0.430 122.395 122.820 0.008 0.000 1.908 113 A HA -0.286 4.033 4.320 -0.000 0.000 0.218 113 A C 2.171 179.776 177.584 0.036 0.000 1.181 113 A CA 2.141 54.185 52.037 0.012 0.000 0.627 113 A CB -0.512 18.506 19.000 0.031 0.000 0.818 113 A HN 0.641 nan 8.150 nan 0.000 0.445 114 E N -1.249 118.973 120.200 0.037 0.000 2.077 114 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 114 E C 2.044 178.605 176.600 -0.064 0.000 0.989 114 E CA 1.178 57.559 56.400 -0.032 0.000 0.800 114 E CB -0.260 29.393 29.700 -0.078 0.000 0.746 114 E HN 0.713 nan 8.360 nan 0.000 0.452 115 H N 0.283 119.376 119.070 0.039 0.000 2.357 115 H HA -0.063 4.493 4.556 -0.000 0.000 0.301 115 H C 2.373 177.750 175.328 0.082 0.000 1.082 115 H CA 0.967 57.051 56.048 0.060 0.000 1.342 115 H CB -0.066 29.739 29.762 0.070 0.000 1.389 115 H HN 0.153 nan 8.280 nan 0.000 0.511 116 L N 0.751 122.092 121.223 0.198 0.000 1.994 116 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 116 L C 2.310 179.205 176.870 0.042 0.000 1.071 116 L CA 1.053 55.980 54.840 0.145 0.000 0.745 116 L CB -0.328 41.799 42.059 0.114 0.000 0.892 116 L HN 0.238 nan 8.230 nan 0.000 0.431 117 N N -0.025 118.680 118.700 0.009 0.000 2.061 117 N HA -0.258 4.482 4.740 -0.000 0.000 0.193 117 N C 1.814 177.292 175.510 -0.055 0.000 1.030 117 N CA 1.449 54.476 53.050 -0.039 0.000 0.856 117 N CB -0.484 37.982 38.487 -0.035 0.000 1.023 117 N HN 0.310 nan 8.380 nan 0.000 0.424 118 R N 0.661 121.143 120.500 -0.031 0.000 2.081 118 R HA -0.001 4.339 4.340 -0.000 0.000 0.235 118 R C 1.857 178.161 176.300 0.007 0.000 1.131 118 R CA 1.077 57.160 56.100 -0.029 0.000 0.960 118 R CB -0.145 30.130 30.300 -0.042 0.000 0.856 118 R HN 0.207 nan 8.270 nan 0.000 0.436 119 L N 0.456 121.719 121.223 0.067 0.000 2.408 119 L HA 0.093 4.433 4.340 -0.000 0.000 0.215 119 L C 0.978 177.947 176.870 0.164 0.000 1.081 119 L CA 0.317 55.239 54.840 0.136 0.000 0.840 119 L CB 0.060 42.255 42.059 0.227 0.000 1.002 119 L HN 0.282 nan 8.230 nan 0.000 0.468 120 T N -1.543 113.021 114.554 0.016 0.000 2.734 120 T HA 0.173 4.522 4.350 -0.000 0.000 0.314 120 T C -2.382 172.240 174.700 -0.130 0.000 1.057 120 T CA -1.331 60.624 62.100 -0.242 0.000 1.047 120 T CB -0.060 68.555 68.868 -0.422 0.000 0.991 120 T HN -0.160 nan 8.240 nan 0.000 0.540 121 P HA 0.472 nan 4.420 nan 0.000 0.269 121 P C 0.526 177.782 177.300 -0.074 0.000 1.215 121 P CA 0.752 63.821 63.100 -0.051 0.000 0.780 121 P CB -0.007 31.682 31.700 -0.018 0.000 0.898 122 G N 2.023 110.796 108.800 -0.044 0.000 2.675 122 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.686 122 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.686 122 G C -0.157 174.623 174.900 -0.201 0.000 1.215 122 G CA -0.514 44.560 45.100 -0.043 0.000 0.777 122 G HN 0.390 nan 8.290 nan 0.000 0.638 123 D N 0.142 120.490 120.400 -0.086 0.000 2.333 123 D HA 0.063 4.703 4.640 -0.000 0.000 0.208 123 D C 1.581 177.806 176.300 -0.125 0.000 0.984 123 D CA 1.132 55.078 54.000 -0.090 0.000 0.873 123 D CB -0.190 40.606 40.800 -0.007 0.000 0.935 123 D HN 0.787 nan 8.370 nan 0.000 0.521 124 H N 0.677 119.739 119.070 -0.013 0.000 2.871 124 H HA 0.155 4.711 4.556 -0.000 0.000 0.377 124 H C 0.276 175.593 175.328 -0.020 0.000 1.307 124 H CA 0.175 56.213 56.048 -0.016 0.000 1.449 124 H CB 0.552 30.303 29.762 -0.019 0.000 1.452 124 H HN -0.044 nan 8.280 nan 0.000 0.619 125 E N 0.923 121.184 120.200 0.101 0.000 2.376 125 E HA 0.085 4.435 4.350 -0.000 0.000 0.266 125 E C -0.543 176.105 176.600 0.080 0.000 1.009 125 E CA 0.119 56.545 56.400 0.044 0.000 0.902 125 E CB 0.604 30.331 29.700 0.044 0.000 0.972 125 E HN 0.443 nan 8.360 nan 0.000 0.439 126 K N 3.005 123.410 120.400 0.008 0.000 2.443 126 K HA 0.520 4.839 4.320 -0.000 0.000 0.251 126 K C -0.618 175.984 176.600 0.004 0.000 0.972 126 K CA -0.990 55.303 56.287 0.011 0.000 0.833 126 K CB 1.717 34.181 32.500 -0.060 0.000 1.317 126 K HN 0.273 nan 8.250 nan 0.000 0.441 127 R N 0.487 120.992 120.500 0.009 0.000 2.808 127 R HA 0.540 4.880 4.340 -0.000 0.000 0.272 127 R C -0.890 175.419 176.300 0.014 0.000 0.995 127 R CA -0.755 55.353 56.100 0.013 0.000 0.917 127 R CB 2.262 32.574 30.300 0.021 0.000 1.217 127 R HN 0.658 nan 8.270 nan 0.000 0.471 128 T N 0.204 114.770 114.554 0.020 0.000 2.906 128 T HA 0.787 5.137 4.350 -0.000 0.000 0.295 128 T C -1.078 173.634 174.700 0.020 0.000 1.061 128 T CA -0.666 61.442 62.100 0.013 0.000 1.000 128 T CB 2.202 71.064 68.868 -0.011 0.000 1.103 128 T HN 0.644 nan 8.240 nan 0.000 0.486 129 A N 2.144 124.962 122.820 -0.003 0.000 2.449 129 A HA 0.855 5.174 4.320 -0.000 0.000 0.302 129 A C -1.313 176.041 177.584 -0.382 0.000 1.048 129 A CA -0.691 51.285 52.037 -0.102 0.000 0.708 129 A CB 0.979 19.988 19.000 0.014 0.000 1.274 129 A HN 0.758 nan 8.150 nan 0.000 0.410 130 L N 1.457 122.259 121.223 -0.702 0.000 2.334 130 L HA 0.788 5.128 4.340 -0.000 0.000 0.273 130 L C -0.818 175.434 176.870 -1.029 0.000 1.013 130 L CA -0.373 54.021 54.840 -0.743 0.000 0.816 130 L CB 1.496 42.999 42.059 -0.926 0.000 1.278 130 L HN 0.795 nan 8.230 nan 0.000 0.431 131 F N -0.761 119.180 119.950 -0.015 0.000 3.012 131 F HA 0.440 4.967 4.527 -0.000 0.000 0.346 131 F C 0.991 176.821 175.800 0.049 0.000 1.239 131 F CA -0.838 57.193 58.000 0.050 0.000 1.028 131 F CB 0.598 39.630 39.000 0.053 0.000 1.497 131 F HN 0.298 nan 8.300 nan 0.000 0.521 132 N N -0.281 118.595 118.700 0.293 0.000 2.420 132 N HA 0.047 4.787 4.740 -0.000 0.000 0.185 132 N C 0.112 175.697 175.510 0.125 0.000 1.033 132 N CA 0.891 54.042 53.050 0.169 0.000 0.879 132 N CB 0.040 38.629 38.487 0.170 0.000 1.071 132 N HN 0.479 nan 8.380 nan 0.000 0.437 133 S N -0.913 114.864 115.700 0.128 0.000 2.648 133 S HA 0.612 5.082 4.470 -0.000 0.000 0.305 133 S C 1.240 175.888 174.600 0.080 0.000 1.094 133 S CA -0.384 57.867 58.200 0.086 0.000 0.983 133 S CB 1.940 65.180 63.200 0.066 0.000 1.101 133 S HN 0.186 nan 8.310 nan 0.000 0.514 134 G N 1.357 110.199 108.800 0.070 0.000 2.553 134 G HA2 -0.155 3.804 3.960 -0.000 0.000 0.218 134 G HA3 -0.155 3.804 3.960 -0.000 0.000 0.218 134 G C 1.615 176.528 174.900 0.022 0.000 1.195 134 G CA 1.246 46.383 45.100 0.062 0.000 0.779 134 G HN 1.302 nan 8.290 nan 0.000 0.577 135 A N 0.712 123.536 122.820 0.007 0.000 1.915 135 A HA -0.197 4.122 4.320 -0.000 0.000 0.220 135 A C 2.200 179.747 177.584 -0.062 0.000 1.198 135 A CA 2.314 54.331 52.037 -0.033 0.000 0.647 135 A CB -0.619 18.364 19.000 -0.028 0.000 0.825 135 A HN 0.527 nan 8.150 nan 0.000 0.456 136 E N -0.784 119.384 120.200 -0.052 0.000 2.110 136 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 136 E C 2.327 178.746 176.600 -0.302 0.000 0.988 136 E CA 0.821 57.136 56.400 -0.141 0.000 0.804 136 E CB -0.254 29.414 29.700 -0.053 0.000 0.745 136 E HN 0.660 nan 8.360 nan 0.000 0.458 137 A N 0.803 123.535 122.820 -0.147 0.000 1.898 137 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 137 A C 2.482 179.978 177.584 -0.147 0.000 1.181 137 A CA 1.000 52.960 52.037 -0.129 0.000 0.620 137 A CB -0.609 18.439 19.000 0.081 0.000 0.819 137 A HN 0.101 nan 8.150 nan 0.000 0.442 138 V N 0.552 120.407 119.914 -0.099 0.000 2.255 138 V HA -0.298 3.821 4.120 -0.000 0.000 0.247 138 V C 2.491 178.498 176.094 -0.145 0.000 1.051 138 V CA 2.269 64.504 62.300 -0.109 0.000 1.018 138 V CB -0.939 30.827 31.823 -0.095 0.000 0.641 138 V HN 0.569 nan 8.190 nan 0.000 0.445 139 E N 0.253 120.357 120.200 -0.160 0.000 2.114 139 E HA -0.261 4.088 4.350 -0.000 0.000 0.199 139 E C 2.119 178.610 176.600 -0.181 0.000 1.008 139 E CA 1.559 57.865 56.400 -0.157 0.000 0.810 139 E CB -0.416 29.190 29.700 -0.156 0.000 0.739 139 E HN 0.633 nan 8.360 nan 0.000 0.456 140 N N 0.274 118.798 118.700 -0.294 0.000 2.270 140 N HA -0.085 4.655 4.740 -0.000 0.000 0.181 140 N C 1.826 177.266 175.510 -0.117 0.000 1.016 140 N CA 0.933 53.806 53.050 -0.295 0.000 0.870 140 N CB -0.027 38.022 38.487 -0.730 0.000 0.979 140 N HN 0.092 nan 8.380 nan 0.000 0.431 141 A N 0.954 123.713 122.820 -0.102 0.000 1.902 141 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 141 A C 2.508 180.070 177.584 -0.037 0.000 1.181 141 A CA 1.210 53.217 52.037 -0.051 0.000 0.623 141 A CB -0.738 18.225 19.000 -0.063 0.000 0.818 141 A HN 0.092 nan 8.150 nan 0.000 0.443 142 V N 0.089 119.968 119.914 -0.057 0.000 2.343 142 V HA -0.276 3.843 4.120 -0.000 0.000 0.247 142 V C 2.442 178.532 176.094 -0.007 0.000 1.051 142 V CA 2.371 64.651 62.300 -0.033 0.000 1.036 142 V CB -0.700 31.092 31.823 -0.053 0.000 0.654 142 V HN 0.554 nan 8.190 nan 0.000 0.451 143 K N -0.149 120.239 120.400 -0.020 0.000 2.063 143 K HA -0.140 4.180 4.320 -0.000 0.000 0.208 143 K C 2.020 178.642 176.600 0.036 0.000 1.048 143 K CA 1.686 57.975 56.287 0.004 0.000 0.928 143 K CB -0.349 32.144 32.500 -0.011 0.000 0.713 143 K HN 0.386 nan 8.250 nan 0.000 0.442 144 I N 0.898 121.491 120.570 0.039 0.000 2.226 144 I HA -0.291 3.878 4.170 -0.000 0.000 0.245 144 I C 2.491 178.665 176.117 0.095 0.000 1.100 144 I CA 1.251 62.590 61.300 0.066 0.000 1.374 144 I CB -0.324 37.707 38.000 0.051 0.000 1.057 144 I HN 0.164 nan 8.210 nan 0.000 0.413 145 A N 0.726 123.593 122.820 0.078 0.000 1.898 145 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 145 A C 2.394 180.054 177.584 0.127 0.000 1.181 145 A CA 1.290 53.397 52.037 0.116 0.000 0.620 145 A CB -0.518 18.534 19.000 0.087 0.000 0.819 145 A HN 0.286 nan 8.150 nan 0.000 0.442 146 R N -0.402 120.148 120.500 0.083 0.000 2.081 146 R HA -0.098 4.241 4.340 -0.000 0.000 0.235 146 R C 2.444 178.783 176.300 0.065 0.000 1.131 146 R CA 1.253 57.393 56.100 0.066 0.000 0.960 146 R CB -0.454 29.873 30.300 0.045 0.000 0.856 146 R HN 0.516 nan 8.270 nan 0.000 0.436 147 A N 0.337 123.205 122.820 0.080 0.000 1.873 147 A HA -0.198 4.121 4.320 -0.000 0.000 0.215 147 A C 2.000 179.640 177.584 0.094 0.000 1.186 147 A CA 1.059 53.142 52.037 0.077 0.000 0.616 147 A CB -0.717 18.334 19.000 0.084 0.000 0.823 147 A HN 0.450 nan 8.150 nan 0.000 0.442 148 Y N 1.485 121.797 120.300 0.019 0.000 2.145 148 Y HA -0.227 4.323 4.550 -0.000 0.000 0.286 148 Y C 2.863 178.770 175.900 0.012 0.000 1.145 148 Y CA 2.608 60.718 58.100 0.016 0.000 1.148 148 Y CB -0.206 38.264 38.460 0.018 0.000 0.981 148 Y HN 0.434 nan 8.280 nan 0.000 0.507 149 T N -2.607 111.935 114.554 -0.021 0.000 3.054 149 T HA 0.071 4.420 4.350 -0.000 0.000 0.259 149 T C 0.947 175.594 174.700 -0.088 0.000 1.092 149 T CA 0.529 62.570 62.100 -0.098 0.000 1.121 149 T CB -0.255 68.644 68.868 0.052 0.000 0.912 149 T HN 0.425 nan 8.240 nan 0.000 0.489 150 R N 0.724 121.198 120.500 -0.044 0.000 3.641 150 R HA -0.138 4.202 4.340 -0.000 0.000 0.286 150 R C -0.398 175.898 176.300 -0.007 0.000 1.153 150 R CA 0.463 56.547 56.100 -0.026 0.000 0.775 150 R CB -1.754 28.516 30.300 -0.050 0.000 1.215 150 R HN 0.549 nan 8.270 nan 0.000 0.474 151 R N -0.406 120.103 120.500 0.014 0.000 2.873 151 R HA 0.301 4.641 4.340 -0.000 0.000 0.264 151 R C 0.800 177.129 176.300 0.049 0.000 1.026 151 R CA -0.759 55.359 56.100 0.031 0.000 1.002 151 R CB 0.879 31.203 30.300 0.041 0.000 1.174 151 R HN 0.111 nan 8.270 nan 0.000 0.488 152 Q N 0.271 120.107 119.800 0.060 0.000 2.287 152 Q HA 0.238 4.578 4.340 -0.000 0.000 0.201 152 Q C 0.143 176.201 176.000 0.096 0.000 0.946 152 Q CA 0.238 56.084 55.803 0.070 0.000 0.868 152 Q CB 0.418 29.201 28.738 0.074 0.000 0.967 152 Q HN 0.609 nan 8.270 nan 0.000 0.516 153 A N 1.371 124.271 122.820 0.134 0.000 2.477 153 A HA 0.363 4.682 4.320 -0.000 0.000 0.246 153 A C -0.305 177.369 177.584 0.150 0.000 1.078 153 A CA -0.099 52.058 52.037 0.199 0.000 0.770 153 A CB 0.445 19.592 19.000 0.245 0.000 1.011 153 A HN 0.089 nan 8.150 nan 0.000 0.494 154 V N 3.739 123.732 119.914 0.133 0.000 2.409 154 V HA 0.347 4.467 4.120 -0.000 0.000 0.291 154 V C -0.205 175.935 176.094 0.077 0.000 1.020 154 V CA -0.547 61.799 62.300 0.078 0.000 0.848 154 V CB 1.510 33.341 31.823 0.013 0.000 0.990 154 V HN 0.636 nan 8.190 nan 0.000 0.430 155 V N 6.236 126.183 119.914 0.056 0.000 2.394 155 V HA 0.640 4.760 4.120 -0.000 0.000 0.282 155 V C 0.069 176.123 176.094 -0.068 0.000 1.031 155 V CA -0.239 62.042 62.300 -0.033 0.000 0.881 155 V CB 1.704 33.466 31.823 -0.101 0.000 0.982 155 V HN 0.776 nan 8.190 nan 0.000 0.451 156 V N 2.202 122.023 119.914 -0.156 0.000 3.158 156 V HA 0.758 4.878 4.120 -0.000 0.000 0.311 156 V C -1.035 174.892 176.094 -0.278 0.000 1.181 156 V CA -1.007 61.291 62.300 -0.003 0.000 1.054 156 V CB 2.219 34.098 31.823 0.093 0.000 1.085 156 V HN 0.506 nan 8.190 nan 0.000 0.446 157 F N -0.729 119.324 119.950 0.170 0.000 2.556 157 F HA 0.587 5.113 4.527 -0.000 0.000 0.327 157 F C 0.363 176.178 175.800 0.024 0.000 1.059 157 F CA -0.741 57.343 58.000 0.140 0.000 0.953 157 F CB 1.128 40.287 39.000 0.265 0.000 1.227 157 F HN 0.512 nan 8.300 nan 0.000 0.478 158 D N 1.182 121.665 120.400 0.139 0.000 2.515 158 D HA -0.033 4.607 4.640 -0.000 0.000 0.232 158 D C 0.630 176.832 176.300 -0.164 0.000 1.157 158 D CA 1.175 55.123 54.000 -0.086 0.000 0.871 158 D CB 0.012 40.770 40.800 -0.069 0.000 1.200 158 D HN 0.627 nan 8.370 nan 0.000 0.466 159 H N -2.452 116.544 119.070 -0.123 0.000 3.179 159 H HA -0.202 4.354 4.556 -0.000 0.000 0.250 159 H C 0.181 175.365 175.328 -0.240 0.000 1.142 159 H CA 0.957 56.867 56.048 -0.229 0.000 1.165 159 H CB -1.764 27.795 29.762 -0.338 0.000 1.253 159 H HN 0.442 nan 8.280 nan 0.000 0.325 160 A N 0.376 123.155 122.820 -0.067 0.000 2.340 160 A HA 0.504 4.824 4.320 -0.000 0.000 0.268 160 A C -0.452 177.080 177.584 -0.086 0.000 1.100 160 A CA -0.259 51.767 52.037 -0.018 0.000 0.803 160 A CB 0.717 19.782 19.000 0.109 0.000 1.043 160 A HN 0.323 nan 8.150 nan 0.000 0.488 161 Y N 1.184 121.254 120.300 -0.385 0.000 2.406 161 Y HA 0.521 5.070 4.550 -0.000 0.000 0.340 161 Y C 0.183 175.753 175.900 -0.551 0.000 0.975 161 Y CA -0.565 57.298 58.100 -0.396 0.000 1.056 161 Y CB 1.522 39.796 38.460 -0.311 0.000 1.210 161 Y HN 0.796 nan 8.280 nan 0.000 0.448 162 H N 3.314 121.924 119.070 -0.766 0.000 3.535 162 H HA 0.462 5.018 4.556 -0.000 0.000 0.260 162 H C 0.502 175.488 175.328 -0.570 0.000 1.173 162 H CA 0.445 56.213 56.048 -0.468 0.000 1.168 162 H CB 1.414 31.032 29.762 -0.240 0.000 1.568 162 H HN 0.853 nan 8.280 nan 0.000 0.602 163 G N 0.832 109.074 108.800 -0.930 0.000 2.361 163 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.331 163 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.331 163 G C -0.411 174.322 174.900 -0.279 0.000 1.324 163 G CA -0.875 43.954 45.100 -0.451 0.000 0.984 163 G HN 0.044 nan 8.290 nan 0.000 0.586 164 R N -0.036 120.421 120.500 -0.071 0.000 2.509 164 R HA 0.212 4.551 4.340 -0.000 0.000 0.300 164 R C 1.189 177.487 176.300 -0.004 0.000 0.985 164 R CA 0.629 56.734 56.100 0.009 0.000 1.092 164 R CB 0.215 30.553 30.300 0.063 0.000 1.237 164 R HN 0.855 nan 8.270 nan 0.000 0.546 165 T N -1.757 112.788 114.554 -0.014 0.000 2.849 165 T HA 0.080 4.430 4.350 -0.000 0.000 0.284 165 T C 1.336 176.069 174.700 0.054 0.000 1.004 165 T CA -0.577 61.525 62.100 0.003 0.000 1.021 165 T CB 1.607 70.468 68.868 -0.012 0.000 1.013 165 T HN -0.043 nan 8.240 nan 0.000 0.527 166 N N -0.081 118.672 118.700 0.087 0.000 2.018 166 N HA -0.162 4.578 4.740 -0.000 0.000 0.196 166 N C 1.810 177.428 175.510 0.180 0.000 1.043 166 N CA 1.808 54.977 53.050 0.197 0.000 0.856 166 N CB -0.540 38.023 38.487 0.126 0.000 1.042 166 N HN 0.612 nan 8.380 nan 0.000 0.423 167 L N 1.439 122.707 121.223 0.075 0.000 2.012 167 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 167 L C 2.559 179.413 176.870 -0.026 0.000 1.073 167 L CA 2.625 57.480 54.840 0.024 0.000 0.748 167 L CB -1.499 40.552 42.059 -0.013 0.000 0.891 167 L HN 0.435 nan 8.230 nan 0.000 0.431 168 T N -3.714 110.813 114.554 -0.044 0.000 2.915 168 T HA -0.190 4.160 4.350 -0.000 0.000 0.269 168 T C 1.902 176.529 174.700 -0.122 0.000 1.071 168 T CA 1.557 63.604 62.100 -0.088 0.000 1.132 168 T CB -0.485 68.319 68.868 -0.107 0.000 0.878 168 T HN 0.363 nan 8.240 nan 0.000 0.479 169 M N 1.155 120.702 119.600 -0.087 0.000 2.132 169 M HA 0.090 4.570 4.480 -0.000 0.000 0.263 169 M C 2.974 179.058 176.300 -0.359 0.000 1.065 169 M CA 1.557 56.763 55.300 -0.156 0.000 1.122 169 M CB -0.544 32.055 32.600 -0.003 0.000 1.365 169 M HN 0.463 nan 8.290 nan 0.000 0.411 170 A N 0.289 122.927 122.820 -0.304 0.000 1.917 170 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 170 A C 2.038 179.512 177.584 -0.184 0.000 1.182 170 A CA 1.906 53.770 52.037 -0.287 0.000 0.633 170 A CB -0.642 18.319 19.000 -0.064 0.000 0.819 170 A HN 0.515 nan 8.150 nan 0.000 0.448 171 M N -0.743 118.792 119.600 -0.109 0.000 2.447 171 M HA 0.004 4.484 4.480 -0.000 0.000 0.264 171 M C 0.225 176.574 176.300 0.081 0.000 1.095 171 M CA 0.398 55.688 55.300 -0.018 0.000 1.125 171 M CB -0.140 32.430 32.600 -0.050 0.000 1.389 171 M HN 0.169 nan 8.290 nan 0.000 0.459 172 T N 0.520 115.051 114.554 -0.038 0.000 2.919 172 T HA 0.277 4.627 4.350 -0.000 0.000 0.302 172 T C 1.069 175.738 174.700 -0.052 0.000 1.031 172 T CA -0.064 61.989 62.100 -0.079 0.000 1.127 172 T CB 1.670 70.426 68.868 -0.186 0.000 0.952 172 T HN 0.293 nan 8.240 nan 0.000 0.540 173 A N 3.227 126.034 122.820 -0.022 0.000 1.935 173 A HA 0.134 4.454 4.320 -0.000 0.000 0.214 173 A C 1.165 178.740 177.584 -0.015 0.000 1.178 173 A CA 0.768 52.779 52.037 -0.043 0.000 0.640 173 A CB -0.024 18.920 19.000 -0.093 0.000 0.825 173 A HN 0.658 nan 8.150 nan 0.000 0.447 174 K N 0.473 120.919 120.400 0.078 0.000 2.248 174 K HA 0.172 4.492 4.320 -0.000 0.000 0.281 174 K C 0.526 177.227 176.600 0.168 0.000 1.054 174 K CA -0.021 56.337 56.287 0.119 0.000 0.903 174 K CB 0.653 33.282 32.500 0.215 0.000 1.077 174 K HN 0.312 nan 8.250 nan 0.000 0.474 175 N N 2.789 121.527 118.700 0.063 0.000 2.106 175 N HA -0.180 4.559 4.740 -0.000 0.000 0.188 175 N C -0.161 175.374 175.510 0.043 0.000 1.029 175 N CA 1.238 54.328 53.050 0.068 0.000 0.848 175 N CB 0.244 38.763 38.487 0.052 0.000 1.007 175 N HN 0.451 nan 8.380 nan 0.000 0.423 176 Q N -0.011 119.754 119.800 -0.058 0.000 2.303 176 Q HA 0.324 4.664 4.340 -0.000 0.000 0.257 176 Q C -2.200 173.599 176.000 -0.334 0.000 0.941 176 Q CA -2.074 53.630 55.803 -0.165 0.000 0.931 176 Q CB 1.784 30.414 28.738 -0.181 0.000 1.215 176 Q HN 0.244 nan 8.270 nan 0.000 0.437 177 P HA 0.065 nan 4.420 nan 0.000 0.272 177 P C -0.236 177.056 177.300 -0.014 0.000 1.408 177 P CA 0.209 63.187 63.100 -0.203 0.000 0.996 177 P CB 0.193 31.796 31.700 -0.161 0.000 1.481 178 Y N 1.174 121.593 120.300 0.199 0.000 2.293 178 Y HA -0.041 4.509 4.550 0.000 0.000 0.291 178 Y C 2.276 178.420 175.900 0.407 0.000 1.137 178 Y CA 1.057 59.333 58.100 0.294 0.000 1.202 178 Y CB -0.269 38.348 38.460 0.262 0.000 0.990 178 Y HN -0.044 nan 8.280 nan 0.000 0.537 179 K N -1.664 118.976 120.400 0.399 0.000 2.435 179 K HA 0.034 4.354 4.320 -0.000 0.000 0.199 179 K C -0.087 176.606 176.600 0.155 0.000 1.153 179 K CA -0.161 56.356 56.287 0.382 0.000 0.974 179 K CB 0.177 32.734 32.500 0.095 0.000 0.997 179 K HN 0.028 nan 8.250 nan 0.000 0.547 180 H N 0.781 119.748 119.070 -0.172 0.000 3.187 180 H HA 0.041 4.597 4.556 -0.000 0.000 0.286 180 H C 1.112 176.045 175.328 -0.658 0.000 0.944 180 H CA 1.557 57.424 56.048 -0.302 0.000 1.429 180 H CB 0.032 29.650 29.762 -0.241 0.000 1.483 180 H HN 0.505 nan 8.280 nan 0.000 0.555 181 G N 3.864 112.185 108.800 -0.799 0.000 2.184 181 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.264 181 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.264 181 G C 0.516 175.207 174.900 -0.348 0.000 0.975 181 G CA 0.498 45.218 45.100 -0.635 0.000 0.642 181 G HN 0.546 nan 8.290 nan 0.000 0.536 182 F N 1.449 121.389 119.950 -0.016 0.000 2.678 182 F HA 0.482 5.009 4.527 -0.000 0.000 0.305 182 F C 1.821 177.434 175.800 -0.312 0.000 1.090 182 F CA -0.547 57.432 58.000 -0.035 0.000 1.272 182 F CB -0.013 39.072 39.000 0.142 0.000 1.060 182 F HN 0.334 nan 8.300 nan 0.000 0.576 183 G N 0.577 109.109 108.800 -0.446 0.000 2.532 183 G HA2 0.494 4.453 3.960 -0.000 0.000 0.291 183 G HA3 0.494 4.453 3.960 -0.000 0.000 0.291 183 G C -2.020 172.595 174.900 -0.474 0.000 1.349 183 G CA -0.920 43.533 45.100 -1.079 0.000 1.038 183 G HN -0.076 nan 8.290 nan 0.000 0.518 184 P HA 0.367 nan 4.420 nan 0.000 0.272 184 P C -1.409 175.547 177.300 -0.573 0.000 1.240 184 P CA -0.150 62.678 63.100 -0.453 0.000 0.791 184 P CB 0.703 32.295 31.700 -0.180 0.000 0.978 185 F N -0.426 119.524 119.950 -0.000 0.000 2.450 185 F HA 0.480 5.006 4.527 -0.001 0.000 0.332 185 F C 0.915 176.701 175.800 -0.025 0.000 1.093 185 F CA -1.009 56.988 58.000 -0.004 0.000 1.003 185 F CB 0.933 39.931 39.000 -0.003 0.000 1.151 185 F HN 0.376 nan 8.300 nan 0.000 0.474 186 A N 3.386 126.302 122.820 0.160 0.000 2.608 186 A HA 0.089 4.409 4.320 -0.000 0.000 0.239 186 A C 0.396 178.002 177.584 0.037 0.000 1.018 186 A CA 0.036 52.114 52.037 0.069 0.000 0.766 186 A CB -0.668 18.363 19.000 0.052 0.000 0.928 186 A HN 0.797 nan 8.150 nan 0.000 0.512 187 N N 1.090 119.787 118.700 -0.005 0.000 2.643 187 N HA 0.328 5.067 4.740 -0.000 0.000 0.305 187 N C -0.176 175.275 175.510 -0.098 0.000 1.283 187 N CA -0.228 52.785 53.050 -0.062 0.000 0.946 187 N CB 0.119 38.578 38.487 -0.046 0.000 1.149 187 N HN 0.560 nan 8.380 nan 0.000 0.600 188 E N -2.022 118.070 120.200 -0.179 0.000 2.586 188 E HA -0.111 4.239 4.350 -0.000 0.000 0.259 188 E C -1.043 175.424 176.600 -0.221 0.000 1.107 188 E CA 0.362 56.670 56.400 -0.152 0.000 0.754 188 E CB -2.173 27.568 29.700 0.068 0.000 1.335 188 E HN 0.441 nan 8.360 nan 0.000 0.411 189 V N 1.280 120.937 119.914 -0.428 0.000 2.370 189 V HA 0.412 4.531 4.120 -0.000 0.000 0.283 189 V C -0.191 175.585 176.094 -0.530 0.000 1.023 189 V CA -0.497 61.618 62.300 -0.309 0.000 0.857 189 V CB 0.727 32.442 31.823 -0.179 0.000 0.985 189 V HN 0.089 nan 8.190 nan 0.000 0.443 190 Y N 3.654 123.918 120.300 -0.060 0.000 2.376 190 Y HA 0.661 5.211 4.550 -0.000 0.000 0.340 190 Y C 0.235 176.051 175.900 -0.140 0.000 0.965 190 Y CA -0.707 57.343 58.100 -0.084 0.000 1.078 190 Y CB 1.810 40.222 38.460 -0.080 0.000 1.193 190 Y HN 0.498 nan 8.280 nan 0.000 0.452 191 R N 2.588 123.081 120.500 -0.012 0.000 2.589 191 R HA 0.842 5.182 4.340 -0.000 0.000 0.293 191 R C -1.428 174.793 176.300 -0.132 0.000 0.963 191 R CA -0.810 55.225 56.100 -0.108 0.000 0.905 191 R CB 1.357 31.613 30.300 -0.075 0.000 1.144 191 R HN 0.630 nan 8.270 nan 0.000 0.459 192 V N 0.783 120.549 119.914 -0.247 0.000 3.102 192 V HA 0.691 4.811 4.120 -0.000 0.000 0.312 192 V C -2.728 173.347 176.094 -0.032 0.000 1.135 192 V CA -2.861 59.328 62.300 -0.185 0.000 1.022 192 V CB 1.788 33.439 31.823 -0.287 0.000 1.056 192 V HN 0.688 nan 8.190 nan 0.000 0.436 193 P HA 0.226 nan 4.420 nan 0.000 0.267 193 P C -0.073 177.518 177.300 0.486 0.000 1.200 193 P CA 0.550 63.795 63.100 0.242 0.000 0.772 193 P CB 0.476 32.319 31.700 0.239 0.000 0.855 194 T N 0.429 115.247 114.554 0.440 0.000 2.902 194 T HA 0.414 4.763 4.350 -0.000 0.000 0.287 194 T C -0.282 174.372 174.700 -0.078 0.000 1.048 194 T CA -0.490 61.794 62.100 0.307 0.000 0.941 194 T CB 0.288 69.338 68.868 0.304 0.000 1.432 194 T HN 0.289 nan 8.240 nan 0.000 0.586 195 S N 0.907 116.271 115.700 -0.561 0.000 2.456 195 S HA 0.531 5.001 4.470 -0.000 0.000 0.316 195 S C -1.750 172.810 174.600 -0.067 0.000 1.089 195 S CA -0.586 57.372 58.200 -0.404 0.000 1.101 195 S CB 0.449 63.171 63.200 -0.796 0.000 0.995 195 S HN 0.604 nan 8.310 nan 0.000 0.468 196 Y N 7.315 127.571 120.300 -0.073 0.000 2.520 196 Y HA 0.428 4.978 4.550 -0.000 0.000 0.339 196 Y C -2.801 173.116 175.900 0.028 0.000 1.113 196 Y CA -2.422 55.666 58.100 -0.019 0.000 1.255 196 Y CB 1.109 39.542 38.460 -0.045 0.000 1.099 196 Y HN 0.434 nan 8.280 nan 0.000 0.628 197 P HA -0.189 nan 4.420 nan 0.000 0.216 197 P C 1.776 179.159 177.300 0.138 0.000 1.150 197 P CA 1.311 64.501 63.100 0.149 0.000 0.837 197 P CB 0.010 31.791 31.700 0.135 0.000 0.786 198 F N 0.590 120.586 119.950 0.078 0.000 2.147 198 F HA -0.219 4.307 4.527 -0.001 0.000 0.301 198 F C 2.041 177.734 175.800 -0.179 0.000 1.084 198 F CA 1.749 59.742 58.000 -0.011 0.000 1.268 198 F CB -0.213 38.841 39.000 0.090 0.000 1.009 198 F HN -0.203 nan 8.300 nan 0.000 0.486 199 R N -0.773 119.482 120.500 -0.409 0.000 2.225 199 R HA 0.032 4.372 4.340 -0.000 0.000 0.194 199 R C 1.331 177.436 176.300 -0.324 0.000 0.957 199 R CA 0.939 56.696 56.100 -0.572 0.000 1.042 199 R CB -0.035 29.694 30.300 -0.953 0.000 1.004 199 R HN 0.404 nan 8.270 nan 0.000 0.509 200 D N -1.468 118.822 120.400 -0.183 0.000 2.389 200 D HA 0.078 4.717 4.640 -0.000 0.000 0.206 200 D C 1.090 177.352 176.300 -0.062 0.000 1.055 200 D CA 0.723 54.676 54.000 -0.078 0.000 0.856 200 D CB 0.404 41.211 40.800 0.011 0.000 0.957 200 D HN 0.151 nan 8.370 nan 0.000 0.509 201 G N 0.289 109.046 108.800 -0.072 0.000 2.148 201 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.254 201 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.254 201 G C -0.032 174.861 174.900 -0.012 0.000 0.981 201 G CA 0.352 45.419 45.100 -0.054 0.000 0.670 201 G HN 0.562 nan 8.290 nan 0.000 0.528 202 E N 0.021 120.229 120.200 0.013 0.000 2.149 202 E HA 0.693 5.043 4.350 -0.000 0.000 0.255 202 E C 1.362 177.992 176.600 0.050 0.000 0.888 202 E CA 0.618 57.037 56.400 0.033 0.000 0.742 202 E CB 0.367 30.093 29.700 0.045 0.000 1.164 202 E HN 0.392 nan 8.360 nan 0.000 0.422 203 T N 2.479 117.062 114.554 0.048 0.000 3.007 203 T HA -0.102 4.248 4.350 -0.000 0.000 0.270 203 T C 0.620 175.358 174.700 0.063 0.000 1.107 203 T CA 0.891 63.024 62.100 0.055 0.000 1.118 203 T CB -0.136 68.761 68.868 0.047 0.000 0.889 203 T HN 0.294 nan 8.240 nan 0.000 0.506 204 D N 0.514 120.954 120.400 0.066 0.000 2.428 204 D HA 0.450 5.090 4.640 -0.000 0.000 0.221 204 D C 1.528 177.897 176.300 0.115 0.000 1.123 204 D CA -0.196 53.851 54.000 0.078 0.000 0.869 204 D CB 0.676 41.515 40.800 0.065 0.000 1.032 204 D HN 0.115 nan 8.370 nan 0.000 0.506 205 G N 3.057 111.939 108.800 0.138 0.000 2.442 205 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.219 205 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.219 205 G C 1.438 176.492 174.900 0.257 0.000 1.141 205 G CA 0.942 46.181 45.100 0.233 0.000 0.763 205 G HN 0.591 nan 8.290 nan 0.000 0.554 206 A N 1.127 124.036 122.820 0.148 0.000 1.908 206 A HA 0.195 4.515 4.320 -0.000 0.000 0.218 206 A C 2.814 180.467 177.584 0.115 0.000 1.181 206 A CA 2.396 54.493 52.037 0.101 0.000 0.627 206 A CB -0.749 18.289 19.000 0.064 0.000 0.818 206 A HN 0.813 nan 8.150 nan 0.000 0.445 207 A N -0.319 122.575 122.820 0.124 0.000 1.898 207 A HA 0.227 4.547 4.320 -0.000 0.000 0.216 207 A C 2.502 180.192 177.584 0.176 0.000 1.181 207 A CA 1.909 54.018 52.037 0.119 0.000 0.620 207 A CB -0.988 18.064 19.000 0.088 0.000 0.819 207 A HN 1.062 nan 8.150 nan 0.000 0.442 208 A N -0.146 122.818 122.820 0.240 0.000 1.933 208 A HA 0.181 4.500 4.320 -0.000 0.000 0.218 208 A C 2.451 180.321 177.584 0.476 0.000 1.175 208 A CA 1.973 54.219 52.037 0.348 0.000 0.628 208 A CB -0.874 18.316 19.000 0.317 0.000 0.814 208 A HN 0.998 nan 8.150 nan 0.000 0.444 209 A N -0.124 122.920 122.820 0.374 0.000 1.930 209 A HA 0.215 4.535 4.320 -0.000 0.000 0.217 209 A C 2.487 180.083 177.584 0.020 0.000 1.175 209 A CA 1.826 53.872 52.037 0.015 0.000 0.627 209 A CB -0.984 17.855 19.000 -0.268 0.000 0.815 209 A HN 1.049 nan 8.150 nan 0.000 0.443 210 A N -0.679 122.189 122.820 0.079 0.000 1.917 210 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 210 A C 2.063 179.714 177.584 0.111 0.000 1.182 210 A CA 2.342 54.424 52.037 0.074 0.000 0.633 210 A CB -0.867 18.187 19.000 0.091 0.000 0.819 210 A HN 0.759 nan 8.150 nan 0.000 0.448 211 H N -0.147 118.961 119.070 0.063 0.000 2.357 211 H HA 0.143 4.699 4.556 -0.000 0.000 0.301 211 H C 2.156 177.512 175.328 0.046 0.000 1.082 211 H CA 1.676 57.762 56.048 0.062 0.000 1.342 211 H CB -0.401 29.416 29.762 0.092 0.000 1.389 211 H HN 0.364 nan 8.280 nan 0.000 0.511 212 A N 0.697 123.499 122.820 -0.031 0.000 1.902 212 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 212 A C 2.568 180.014 177.584 -0.230 0.000 1.181 212 A CA 1.471 53.441 52.037 -0.111 0.000 0.623 212 A CB -0.863 18.221 19.000 0.139 0.000 0.818 212 A HN 0.465 nan 8.150 nan 0.000 0.443 213 L N -0.685 120.393 121.223 -0.242 0.000 2.141 213 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 213 L C 2.353 179.097 176.870 -0.210 0.000 1.094 213 L CA 1.603 56.208 54.840 -0.392 0.000 0.763 213 L CB -0.568 41.267 42.059 -0.374 0.000 0.908 213 L HN 0.442 nan 8.230 nan 0.000 0.437 214 D N 0.479 120.821 120.400 -0.097 0.000 2.117 214 D HA -0.174 4.466 4.640 -0.000 0.000 0.197 214 D C 2.297 178.553 176.300 -0.074 0.000 0.987 214 D CA 1.199 55.181 54.000 -0.031 0.000 0.829 214 D CB 0.019 40.839 40.800 0.032 0.000 0.961 214 D HN 0.167 nan 8.370 nan 0.000 0.460 215 L N 0.062 121.196 121.223 -0.149 0.000 2.042 215 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 215 L C 2.569 179.345 176.870 -0.157 0.000 1.076 215 L CA 0.757 55.505 54.840 -0.155 0.000 0.749 215 L CB -0.367 41.563 42.059 -0.214 0.000 0.893 215 L HN 0.172 nan 8.230 nan 0.000 0.432 216 I N -0.290 120.151 120.570 -0.214 0.000 2.179 216 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 216 I C 2.242 178.313 176.117 -0.076 0.000 1.088 216 I CA 1.119 62.288 61.300 -0.219 0.000 1.357 216 I CB -0.460 37.276 38.000 -0.440 0.000 1.051 216 I HN 0.331 nan 8.210 nan 0.000 0.409 217 N N 0.944 119.646 118.700 0.002 0.000 2.069 217 N HA -0.158 4.581 4.740 -0.000 0.000 0.191 217 N C 1.805 177.332 175.510 0.027 0.000 1.031 217 N CA 1.260 54.374 53.050 0.106 0.000 0.852 217 N CB -0.198 38.374 38.487 0.141 0.000 1.018 217 N HN 0.280 nan 8.380 nan 0.000 0.423 218 K N 0.859 121.253 120.400 -0.011 0.000 2.137 218 K HA 0.073 4.393 4.320 -0.000 0.000 0.202 218 K C 1.888 178.457 176.600 -0.052 0.000 1.052 218 K CA 0.813 57.088 56.287 -0.020 0.000 0.961 218 K CB -0.007 32.486 32.500 -0.012 0.000 0.741 218 K HN 0.374 nan 8.250 nan 0.000 0.452 219 Q N -0.154 119.591 119.800 -0.092 0.000 2.349 219 Q HA 0.050 4.389 4.340 -0.000 0.000 0.209 219 Q C 1.947 177.791 176.000 -0.260 0.000 0.920 219 Q CA 0.423 56.143 55.803 -0.137 0.000 0.901 219 Q CB 0.668 29.332 28.738 -0.122 0.000 1.021 219 Q HN -0.021 nan 8.270 nan 0.000 0.519 220 V N -0.900 118.845 119.914 -0.282 0.000 2.690 220 V HA 0.252 4.372 4.120 -0.000 0.000 0.240 220 V C 0.696 176.684 176.094 -0.177 0.000 1.078 220 V CA 0.807 62.871 62.300 -0.394 0.000 1.102 220 V CB 0.486 32.069 31.823 -0.399 0.000 0.800 220 V HN 0.438 nan 8.190 nan 0.000 0.479 221 G N -0.033 108.730 108.800 -0.061 0.000 3.338 221 G HA2 0.179 4.139 3.960 -0.000 0.000 0.686 221 G HA3 0.179 4.139 3.960 -0.000 0.000 0.686 221 G C 0.449 175.400 174.900 0.085 0.000 1.053 221 G CA -0.080 45.026 45.100 0.009 0.000 0.852 221 G HN 0.676 nan 8.290 nan 0.000 0.545 222 A N 2.126 125.031 122.820 0.141 0.000 1.908 222 A HA -0.029 4.291 4.320 -0.000 0.000 0.218 222 A C 2.138 179.743 177.584 0.034 0.000 1.181 222 A CA 2.603 54.742 52.037 0.170 0.000 0.627 222 A CB -0.423 18.569 19.000 -0.014 0.000 0.818 222 A HN 1.439 nan 8.150 nan 0.000 0.445 223 D N -0.299 120.097 120.400 -0.005 0.000 2.348 223 D HA -0.093 4.547 4.640 -0.000 0.000 0.216 223 D C 1.011 177.315 176.300 0.008 0.000 0.970 223 D CA 0.874 54.861 54.000 -0.022 0.000 0.889 223 D CB -0.485 40.295 40.800 -0.033 0.000 0.912 223 D HN 0.401 nan 8.370 nan 0.000 0.524 224 N N 0.019 118.738 118.700 0.032 0.000 2.353 224 N HA 0.036 4.776 4.740 -0.000 0.000 0.185 224 N C -0.343 175.211 175.510 0.075 0.000 1.098 224 N CA 0.086 53.159 53.050 0.038 0.000 0.872 224 N CB 1.082 39.577 38.487 0.014 0.000 0.970 224 N HN 0.121 nan 8.380 nan 0.000 0.467 225 V N 1.782 121.764 119.914 0.113 0.000 2.353 225 V HA 0.265 4.385 4.120 -0.000 0.000 0.264 225 V C 1.279 177.463 176.094 0.150 0.000 1.049 225 V CA -0.409 61.990 62.300 0.165 0.000 0.896 225 V CB 0.791 32.796 31.823 0.302 0.000 1.025 225 V HN 0.119 nan 8.190 nan 0.000 0.475 226 A N 4.517 127.414 122.820 0.128 0.000 1.898 226 A HA 0.491 4.811 4.320 -0.000 0.000 0.216 226 A C 1.167 178.838 177.584 0.145 0.000 1.181 226 A CA 1.344 53.453 52.037 0.121 0.000 0.620 226 A CB 0.044 19.102 19.000 0.095 0.000 0.819 226 A HN 1.198 nan 8.150 nan 0.000 0.442 227 A N -1.381 121.529 122.820 0.150 0.000 2.517 227 A HA 0.571 4.890 4.320 -0.000 0.000 0.297 227 A C -1.199 176.493 177.584 0.181 0.000 1.050 227 A CA -0.366 51.764 52.037 0.154 0.000 0.694 227 A CB 1.377 20.430 19.000 0.088 0.000 1.277 227 A HN 0.432 nan 8.150 nan 0.000 0.400 228 V N 2.481 122.551 119.914 0.259 0.000 2.347 228 V HA 0.505 4.625 4.120 -0.000 0.000 0.280 228 V C -0.421 175.870 176.094 0.328 0.000 1.021 228 V CA -0.461 62.028 62.300 0.316 0.000 0.847 228 V CB 1.289 33.355 31.823 0.405 0.000 0.990 228 V HN 0.666 nan 8.190 nan 0.000 0.444 229 V N 6.894 126.977 119.914 0.282 0.000 2.409 229 V HA 0.609 4.729 4.120 -0.000 0.000 0.291 229 V C -0.305 175.994 176.094 0.342 0.000 1.020 229 V CA -0.461 61.931 62.300 0.153 0.000 0.848 229 V CB 1.784 33.572 31.823 -0.059 0.000 0.990 229 V HN 0.763 nan 8.190 nan 0.000 0.430 230 I N 2.913 123.604 120.570 0.201 0.000 2.752 230 I HA 0.485 4.654 4.170 -0.000 0.000 0.295 230 I C -0.428 175.722 176.117 0.055 0.000 1.219 230 I CA -0.530 60.875 61.300 0.175 0.000 1.030 230 I CB 2.889 40.843 38.000 -0.077 0.000 1.259 230 I HN 0.664 nan 8.210 nan 0.000 0.423 231 E N 7.239 127.458 120.200 0.031 0.000 2.313 231 E HA 0.199 4.549 4.350 -0.000 0.000 0.276 231 E C -1.991 174.477 176.600 -0.221 0.000 1.031 231 E CA -1.336 55.012 56.400 -0.087 0.000 0.857 231 E CB 0.785 30.435 29.700 -0.083 0.000 1.040 231 E HN 0.371 nan 8.360 nan 0.000 0.408 232 P HA -0.059 nan 4.420 nan 0.000 0.222 232 P C -0.382 176.794 177.300 -0.208 0.000 1.153 232 P CA 0.710 63.728 63.100 -0.136 0.000 0.798 232 P CB 0.445 32.108 31.700 -0.062 0.000 0.796 233 V N 0.768 120.538 119.914 -0.240 0.000 2.483 233 V HA 0.174 4.294 4.120 -0.000 0.000 0.297 233 V C -0.124 175.823 176.094 -0.245 0.000 1.027 233 V CA -0.955 61.182 62.300 -0.271 0.000 0.855 233 V CB 0.979 32.637 31.823 -0.275 0.000 0.995 233 V HN 0.116 nan 8.190 nan 0.000 0.424 234 H N 3.988 123.013 119.070 -0.076 0.000 3.082 234 H HA 0.122 4.678 4.556 -0.000 0.000 0.275 234 H C 1.081 176.424 175.328 0.025 0.000 1.032 234 H CA 0.771 56.800 56.048 -0.032 0.000 1.477 234 H CB 1.155 30.902 29.762 -0.026 0.000 1.520 234 H HN 0.833 nan 8.280 nan 0.000 0.521 235 G N 3.433 112.324 108.800 0.151 0.000 2.607 235 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.215 235 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.215 235 G C 1.322 176.364 174.900 0.237 0.000 1.275 235 G CA -0.105 45.140 45.100 0.243 0.000 0.842 235 G HN 0.448 nan 8.290 nan 0.000 0.555 236 E N 1.063 121.293 120.200 0.051 0.000 2.209 236 E HA -0.084 4.266 4.350 -0.000 0.000 0.196 236 E C 2.531 179.130 176.600 -0.000 0.000 0.993 236 E CA 0.947 57.292 56.400 -0.091 0.000 0.819 236 E CB -0.767 28.656 29.700 -0.462 0.000 0.745 236 E HN 0.376 nan 8.360 nan 0.000 0.477 237 G N 0.091 108.932 108.800 0.068 0.000 2.776 237 G HA2 0.093 4.053 3.960 -0.000 0.000 0.209 237 G HA3 0.093 4.053 3.960 -0.000 0.000 0.209 237 G C 0.954 175.874 174.900 0.032 0.000 1.145 237 G CA 0.551 45.701 45.100 0.084 0.000 0.791 237 G HN 0.419 nan 8.290 nan 0.000 0.530 238 G N -1.015 107.804 108.800 0.033 0.000 2.157 238 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.118 238 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.118 238 G C 0.304 175.231 174.900 0.045 0.000 1.032 238 G CA -0.309 44.772 45.100 -0.032 0.000 0.697 238 G HN 0.548 nan 8.290 nan 0.000 0.495 239 F N -1.423 118.467 119.950 -0.101 0.000 2.943 239 F HA -0.195 4.332 4.527 -0.000 0.000 0.258 239 F C 0.944 176.660 175.800 -0.140 0.000 0.995 239 F CA 0.304 58.244 58.000 -0.100 0.000 0.896 239 F CB -1.838 37.108 39.000 -0.091 0.000 0.821 239 F HN 0.272 nan 8.300 nan 0.000 0.828 240 V N 1.278 121.184 119.914 -0.014 0.000 2.432 240 V HA 0.396 4.516 4.120 -0.000 0.000 0.275 240 V C 0.399 176.437 176.094 -0.094 0.000 1.043 240 V CA -0.750 61.442 62.300 -0.180 0.000 0.925 240 V CB 1.738 33.291 31.823 -0.450 0.000 0.985 240 V HN 0.050 nan 8.190 nan 0.000 0.466 241 V N 7.904 127.765 119.914 -0.090 0.000 2.347 241 V HA 0.340 4.460 4.120 -0.000 0.000 0.280 241 V C -2.127 173.929 176.094 -0.064 0.000 1.021 241 V CA -1.878 60.371 62.300 -0.085 0.000 0.847 241 V CB 1.391 33.180 31.823 -0.057 0.000 0.990 241 V HN 0.754 nan 8.190 nan 0.000 0.444 242 P HA 0.214 nan 4.420 nan 0.000 0.269 242 P C -0.101 177.187 177.300 -0.020 0.000 1.215 242 P CA 0.026 63.042 63.100 -0.140 0.000 0.780 242 P CB 0.539 32.127 31.700 -0.187 0.000 0.898 243 A N 4.070 126.885 122.820 -0.009 0.000 2.425 243 A HA 0.376 4.696 4.320 -0.000 0.000 0.242 243 A C -2.114 175.535 177.584 0.107 0.000 1.077 243 A CA -1.158 50.916 52.037 0.061 0.000 0.781 243 A CB -1.308 17.732 19.000 0.067 0.000 1.020 243 A HN 0.409 nan 8.150 nan 0.000 0.494 244 P HA 0.293 nan 4.420 nan 0.000 0.264 244 P C 0.957 178.317 177.300 0.100 0.000 1.193 244 P CA 1.747 64.900 63.100 0.089 0.000 0.763 244 P CB 0.734 32.468 31.700 0.056 0.000 0.810 245 G N 2.280 111.141 108.800 0.102 0.000 2.278 245 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.210 245 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.210 245 G C 0.791 175.763 174.900 0.119 0.000 1.000 245 G CA 0.043 45.197 45.100 0.091 0.000 0.635 245 G HN 0.477 nan 8.290 nan 0.000 0.495 246 F N 1.613 121.573 119.950 0.017 0.000 2.113 246 F HA 0.277 4.804 4.527 -0.000 0.000 0.297 246 F C 2.543 178.332 175.800 -0.018 0.000 1.103 246 F CA 2.224 60.229 58.000 0.009 0.000 1.248 246 F CB -0.226 38.785 39.000 0.019 0.000 0.999 246 F HN 0.167 nan 8.300 nan 0.000 0.475 247 L N -0.425 120.881 121.223 0.139 0.000 2.093 247 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 247 L C 2.773 179.587 176.870 -0.092 0.000 1.085 247 L CA 1.131 56.005 54.840 0.058 0.000 0.755 247 L CB -1.544 40.634 42.059 0.198 0.000 0.904 247 L HN 0.305 nan 8.230 nan 0.000 0.435 248 G N -0.107 108.668 108.800 -0.042 0.000 2.418 248 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 248 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 248 G C 1.773 176.588 174.900 -0.141 0.000 1.158 248 G CA 0.833 45.891 45.100 -0.070 0.000 0.771 248 G HN 0.456 nan 8.290 nan 0.000 0.545 249 A N 0.440 123.169 122.820 -0.151 0.000 1.969 249 A HA 0.167 4.487 4.320 -0.000 0.000 0.218 249 A C 2.423 179.867 177.584 -0.233 0.000 1.169 249 A CA 1.073 53.018 52.037 -0.154 0.000 0.635 249 A CB -0.308 18.613 19.000 -0.130 0.000 0.810 249 A HN 0.357 nan 8.150 nan 0.000 0.445 250 L N -0.775 120.199 121.223 -0.415 0.000 2.046 250 L HA -0.244 4.096 4.340 -0.000 0.000 0.208 250 L C 2.892 179.366 176.870 -0.660 0.000 1.077 250 L CA 1.827 56.361 54.840 -0.511 0.000 0.747 250 L CB -0.644 41.058 42.059 -0.595 0.000 0.896 250 L HN 0.599 nan 8.230 nan 0.000 0.432 251 Q N 1.043 120.318 119.800 -0.875 0.000 2.050 251 Q HA -0.286 4.054 4.340 -0.000 0.000 0.202 251 Q C 2.283 178.151 176.000 -0.221 0.000 0.980 251 Q CA 2.004 57.400 55.803 -0.679 0.000 0.840 251 Q CB -0.011 28.535 28.738 -0.320 0.000 0.898 251 Q HN 0.372 nan 8.270 nan 0.000 0.424 252 K N -0.414 119.903 120.400 -0.138 0.000 2.032 252 K HA -0.220 4.100 4.320 -0.000 0.000 0.209 252 K C 1.812 178.410 176.600 -0.002 0.000 1.048 252 K CA 1.704 57.959 56.287 -0.052 0.000 0.927 252 K CB -0.519 31.962 32.500 -0.033 0.000 0.712 252 K HN 0.386 nan 8.250 nan 0.000 0.441 253 W N 1.108 122.312 121.300 -0.160 0.000 2.338 253 W HA -0.285 4.375 4.660 -0.000 0.000 0.304 253 W C 2.084 178.550 176.519 -0.088 0.000 1.212 253 W CA 1.587 58.864 57.345 -0.115 0.000 1.264 253 W CB -0.492 28.895 29.460 -0.122 0.000 1.142 253 W HN 0.171 nan 8.180 nan 0.000 0.512 254 C N -0.005 119.443 119.300 0.246 0.000 2.413 254 C HA -0.224 4.235 4.460 -0.000 0.000 0.277 254 C C 2.657 177.618 174.990 -0.049 0.000 1.228 254 C CA 2.011 61.118 59.018 0.147 0.000 1.731 254 C CB -1.384 26.485 27.740 0.215 0.000 2.042 254 C HN 0.421 nan 8.230 nan 0.000 0.468 255 T N 0.713 115.240 114.554 -0.044 0.000 2.652 255 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 255 T C 1.279 175.906 174.700 -0.122 0.000 1.039 255 T CA 1.860 63.923 62.100 -0.061 0.000 1.153 255 T CB -0.520 68.319 68.868 -0.048 0.000 0.863 255 T HN 0.489 nan 8.240 nan 0.000 0.428 256 D N 1.228 121.526 120.400 -0.170 0.000 2.158 256 D HA -0.070 4.570 4.640 -0.000 0.000 0.197 256 D C 1.708 177.819 176.300 -0.316 0.000 0.995 256 D CA 0.970 54.835 54.000 -0.224 0.000 0.846 256 D CB -0.244 40.413 40.800 -0.239 0.000 0.941 256 D HN 0.376 nan 8.370 nan 0.000 0.456 257 N N -1.057 117.358 118.700 -0.475 0.000 2.184 257 N HA 0.143 4.883 4.740 -0.000 0.000 0.206 257 N C 0.869 176.186 175.510 -0.322 0.000 1.151 257 N CA 0.586 53.311 53.050 -0.542 0.000 0.878 257 N CB 1.749 39.558 38.487 -1.130 0.000 1.014 257 N HN 0.156 nan 8.380 nan 0.000 0.512 258 G N 0.982 109.665 108.800 -0.195 0.000 2.147 258 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.244 258 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.244 258 G C 0.109 175.014 174.900 0.009 0.000 1.005 258 G CA 0.316 45.379 45.100 -0.063 0.000 0.713 258 G HN 0.544 nan 8.290 nan 0.000 0.515 259 A N -0.762 122.066 122.820 0.014 0.000 2.295 259 A HA 0.834 5.153 4.320 -0.000 0.000 0.318 259 A C 0.292 177.982 177.584 0.177 0.000 1.134 259 A CA -0.222 51.898 52.037 0.138 0.000 0.827 259 A CB 1.645 20.809 19.000 0.273 0.000 1.136 259 A HN 1.129 nan 8.150 nan 0.000 0.493 260 V N 2.083 122.113 119.914 0.194 0.000 2.383 260 V HA 0.250 4.370 4.120 -0.000 0.000 0.275 260 V C -0.507 175.729 176.094 0.237 0.000 1.036 260 V CA -0.145 62.257 62.300 0.170 0.000 0.889 260 V CB 0.582 32.474 31.823 0.115 0.000 0.985 260 V HN 0.690 nan 8.190 nan 0.000 0.459 261 F N 6.485 126.473 119.950 0.065 0.000 2.411 261 F HA 0.588 5.115 4.527 -0.000 0.000 0.355 261 F C -0.131 175.691 175.800 0.036 0.000 1.117 261 F CA -0.677 57.365 58.000 0.070 0.000 1.139 261 F CB 1.163 40.203 39.000 0.067 0.000 1.120 261 F HN 0.237 nan 8.300 nan 0.000 0.493 262 V N 6.657 126.352 119.914 -0.365 0.000 2.350 262 V HA 0.583 4.703 4.120 -0.000 0.000 0.285 262 V C -0.045 175.724 176.094 -0.542 0.000 1.014 262 V CA -0.922 61.166 62.300 -0.354 0.000 0.831 262 V CB 1.031 32.766 31.823 -0.147 0.000 1.000 262 V HN 0.980 nan 8.190 nan 0.000 0.433 263 A N 3.231 125.731 122.820 -0.534 0.000 2.302 263 A HA 0.425 4.745 4.320 -0.000 0.000 0.295 263 A C 0.089 177.560 177.584 -0.188 0.000 1.235 263 A CA -0.259 51.545 52.037 -0.390 0.000 0.876 263 A CB 0.125 18.928 19.000 -0.328 0.000 1.133 263 A HN 0.789 nan 8.150 nan 0.000 0.533 264 D N 2.828 123.176 120.400 -0.087 0.000 2.402 264 D HA 0.089 4.729 4.640 -0.000 0.000 0.235 264 D C 0.284 176.586 176.300 0.002 0.000 1.226 264 D CA 0.196 54.200 54.000 0.006 0.000 0.918 264 D CB 0.389 41.282 40.800 0.154 0.000 1.043 264 D HN 0.584 nan 8.370 nan 0.000 0.506 265 E N 2.808 123.005 120.200 -0.004 0.000 2.423 265 E HA 0.040 4.390 4.350 -0.000 0.000 0.198 265 E C 1.644 178.294 176.600 0.082 0.000 1.038 265 E CA -0.173 56.244 56.400 0.028 0.000 1.011 265 E CB 0.910 30.633 29.700 0.039 0.000 1.118 265 E HN 0.330 nan 8.360 nan 0.000 0.451 266 V N 0.977 120.940 119.914 0.083 0.000 2.278 266 V HA -0.334 3.786 4.120 -0.000 0.000 0.251 266 V C 2.384 178.540 176.094 0.102 0.000 1.062 266 V CA 2.293 64.658 62.300 0.108 0.000 1.038 266 V CB -0.241 31.644 31.823 0.102 0.000 0.646 266 V HN 0.352 nan 8.190 nan 0.000 0.447 267 Q N -0.824 119.015 119.800 0.065 0.000 2.324 267 Q HA -0.087 4.253 4.340 -0.000 0.000 0.207 267 Q C 2.196 178.188 176.000 -0.012 0.000 0.928 267 Q CA 1.188 57.011 55.803 0.033 0.000 0.890 267 Q CB 0.191 28.942 28.738 0.023 0.000 1.001 267 Q HN 0.795 nan 8.270 nan 0.000 0.517 268 T N -2.377 112.159 114.554 -0.031 0.000 3.055 268 T HA 0.167 4.517 4.350 -0.000 0.000 0.265 268 T C 0.978 175.664 174.700 -0.023 0.000 1.111 268 T CA 0.269 62.331 62.100 -0.065 0.000 1.118 268 T CB -0.068 68.753 68.868 -0.079 0.000 0.909 268 T HN 0.237 nan 8.240 nan 0.000 0.501 269 G N 0.227 109.061 108.800 0.056 0.000 2.634 269 G HA2 0.420 4.380 3.960 -0.000 0.000 0.255 269 G HA3 0.420 4.380 3.960 -0.000 0.000 0.255 269 G C -0.470 174.377 174.900 -0.087 0.000 1.205 269 G CA -0.906 44.208 45.100 0.024 0.000 0.884 269 G HN 0.313 nan 8.290 nan 0.000 0.549 270 F N -0.879 118.832 119.950 -0.399 0.000 2.905 270 F HA -0.162 4.365 4.527 -0.000 0.000 0.311 270 F C 1.542 177.187 175.800 -0.258 0.000 1.005 270 F CA 1.291 59.077 58.000 -0.356 0.000 1.029 270 F CB -1.651 37.250 39.000 -0.164 0.000 1.151 270 F HN 1.755 nan 8.300 nan 0.000 0.805 271 A N -1.324 121.357 122.820 -0.232 0.000 3.601 271 A HA -0.409 3.911 4.320 -0.000 0.000 0.266 271 A C 1.719 179.239 177.584 -0.107 0.000 1.077 271 A CA 1.921 53.870 52.037 -0.146 0.000 1.228 271 A CB -1.398 17.552 19.000 -0.082 0.000 1.099 271 A HN 0.703 nan 8.150 nan 0.000 0.916 272 R N 1.209 121.652 120.500 -0.094 0.000 2.117 272 R HA -0.125 4.215 4.340 -0.000 0.000 0.243 272 R C 1.920 178.153 176.300 -0.113 0.000 1.143 272 R CA 3.114 59.163 56.100 -0.085 0.000 0.968 272 R CB -0.987 29.267 30.300 -0.076 0.000 0.863 272 R HN 1.140 nan 8.270 nan 0.000 0.444 273 T N -4.262 110.215 114.554 -0.130 0.000 3.145 273 T HA 0.343 4.693 4.350 -0.000 0.000 0.255 273 T C 1.145 175.768 174.700 -0.129 0.000 1.039 273 T CA 0.194 62.207 62.100 -0.145 0.000 0.928 273 T CB 0.433 69.202 68.868 -0.165 0.000 1.029 273 T HN 0.408 nan 8.240 nan 0.000 0.554 274 G N 0.543 109.281 108.800 -0.103 0.000 2.176 274 G HA2 0.052 4.012 3.960 -0.000 0.000 0.253 274 G HA3 0.052 4.012 3.960 -0.000 0.000 0.253 274 G C 0.217 175.080 174.900 -0.061 0.000 0.979 274 G CA -0.238 44.815 45.100 -0.079 0.000 0.641 274 G HN 1.263 nan 8.290 nan 0.000 0.530 275 A N -1.333 121.442 122.820 -0.075 0.000 2.437 275 A HA 0.880 5.200 4.320 -0.000 0.000 0.292 275 A C 0.998 178.493 177.584 -0.149 0.000 1.173 275 A CA 0.252 52.249 52.037 -0.066 0.000 0.785 275 A CB 0.882 19.877 19.000 -0.009 0.000 1.351 275 A HN 1.168 nan 8.150 nan 0.000 0.431 276 L N -0.384 120.722 121.223 -0.195 0.000 2.056 276 L HA 0.279 4.618 4.340 -0.000 0.000 0.207 276 L C -0.342 176.017 176.870 -0.852 0.000 1.078 276 L CA 1.900 56.470 54.840 -0.451 0.000 0.749 276 L CB -0.533 41.287 42.059 -0.400 0.000 0.901 276 L HN 0.528 nan 8.230 nan 0.000 0.433 277 F N -2.114 117.749 119.950 -0.145 0.000 2.563 277 F HA 0.560 5.087 4.527 -0.000 0.000 0.316 277 F C 1.122 176.868 175.800 -0.091 0.000 1.076 277 F CA -0.413 57.493 58.000 -0.156 0.000 0.921 277 F CB 1.206 40.099 39.000 -0.177 0.000 1.209 277 F HN -0.172 nan 8.300 nan 0.000 0.462 278 A N 0.336 123.214 122.820 0.096 0.000 1.969 278 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 278 A C 1.995 179.626 177.584 0.078 0.000 1.169 278 A CA 1.628 53.686 52.037 0.034 0.000 0.635 278 A CB -1.222 17.764 19.000 -0.023 0.000 0.810 278 A HN 0.906 nan 8.150 nan 0.000 0.445 279 C N -0.252 119.099 119.300 0.085 0.000 2.403 279 C HA -0.153 4.307 4.460 -0.000 0.000 0.279 279 C C 2.510 177.559 174.990 0.097 0.000 1.269 279 C CA 1.275 60.343 59.018 0.082 0.000 1.774 279 C CB -1.399 26.368 27.740 0.046 0.000 1.993 279 C HN 0.676 nan 8.230 nan 0.000 0.496 280 E N -0.517 119.747 120.200 0.107 0.000 2.160 280 E HA -0.275 4.075 4.350 -0.000 0.000 0.195 280 E C 1.809 178.467 176.600 0.098 0.000 0.991 280 E CA 1.402 57.857 56.400 0.091 0.000 0.810 280 E CB -0.317 29.434 29.700 0.084 0.000 0.742 280 E HN 0.764 nan 8.360 nan 0.000 0.466 281 H N 1.077 120.157 119.070 0.017 0.000 2.390 281 H HA -0.092 4.464 4.556 -0.000 0.000 0.298 281 H C 0.922 176.260 175.328 0.017 0.000 1.106 281 H CA 1.579 57.632 56.048 0.008 0.000 1.297 281 H CB 0.234 29.994 29.762 -0.002 0.000 1.375 281 H HN 0.104 nan 8.280 nan 0.000 0.509 282 E N -0.316 119.875 120.200 -0.015 0.000 2.651 282 E HA 0.096 4.446 4.350 -0.000 0.000 0.208 282 E C -0.429 176.165 176.600 -0.010 0.000 0.997 282 E CA -0.092 56.270 56.400 -0.064 0.000 1.020 282 E CB 0.445 30.142 29.700 -0.005 0.000 1.052 282 E HN 0.425 nan 8.360 nan 0.000 0.465 283 N N 0.588 119.293 118.700 0.009 0.000 2.727 283 N HA -0.151 4.589 4.740 -0.000 0.000 0.249 283 N C -0.573 174.963 175.510 0.045 0.000 1.048 283 N CA 0.579 53.644 53.050 0.025 0.000 0.714 283 N CB -1.423 37.070 38.487 0.009 0.000 0.959 283 N HN 0.019 nan 8.380 nan 0.000 0.544 284 V N 0.818 120.773 119.914 0.068 0.000 2.461 284 V HA 0.260 4.380 4.120 -0.000 0.000 0.275 284 V C 0.840 176.997 176.094 0.106 0.000 1.047 284 V CA -0.516 61.846 62.300 0.103 0.000 0.955 284 V CB 1.957 33.872 31.823 0.152 0.000 0.988 284 V HN 0.020 nan 8.190 nan 0.000 0.471 285 V N 8.180 128.166 119.914 0.121 0.000 2.293 285 V HA 0.358 4.478 4.120 -0.000 0.000 0.275 285 V C -1.972 174.221 176.094 0.164 0.000 1.021 285 V CA -1.392 60.982 62.300 0.122 0.000 0.815 285 V CB 1.459 33.357 31.823 0.125 0.000 1.025 285 V HN 0.765 nan 8.190 nan 0.000 0.448 286 P HA 0.338 nan 4.420 nan 0.000 0.282 286 P C -0.025 177.310 177.300 0.058 0.000 1.259 286 P CA -0.360 62.812 63.100 0.121 0.000 0.826 286 P CB 1.808 33.408 31.700 -0.165 0.000 1.064 287 D N 0.324 120.765 120.400 0.068 0.000 2.097 287 D HA -0.008 4.632 4.640 -0.000 0.000 0.197 287 D C 0.753 177.027 176.300 -0.042 0.000 0.984 287 D CA 1.505 55.499 54.000 -0.010 0.000 0.826 287 D CB 0.116 40.926 40.800 0.017 0.000 0.973 287 D HN 0.309 nan 8.370 nan 0.000 0.460 288 L N 0.276 121.455 121.223 -0.074 0.000 2.341 288 L HA 0.551 4.891 4.340 -0.000 0.000 0.267 288 L C -0.540 176.243 176.870 -0.145 0.000 1.009 288 L CA -0.799 53.988 54.840 -0.087 0.000 0.819 288 L CB 3.125 45.141 42.059 -0.072 0.000 1.323 288 L HN -0.139 nan 8.230 nan 0.000 0.425 289 I N 1.713 122.198 120.570 -0.142 0.000 2.499 289 I HA 0.430 4.600 4.170 -0.000 0.000 0.288 289 I C -1.087 174.952 176.117 -0.129 0.000 1.048 289 I CA -0.621 60.566 61.300 -0.190 0.000 1.062 289 I CB 2.075 39.890 38.000 -0.307 0.000 1.238 289 I HN 0.221 nan 8.210 nan 0.000 0.426 290 V N 6.072 125.932 119.914 -0.090 0.000 2.439 290 V HA 0.573 4.692 4.120 -0.000 0.000 0.282 290 V C 0.285 176.394 176.094 0.025 0.000 1.039 290 V CA -0.223 62.067 62.300 -0.016 0.000 0.913 290 V CB 1.401 33.221 31.823 -0.005 0.000 0.983 290 V HN 0.844 nan 8.190 nan 0.000 0.460 291 T N 1.548 116.159 114.554 0.096 0.000 2.906 291 T HA 0.983 5.333 4.350 -0.000 0.000 0.295 291 T C -0.385 174.439 174.700 0.208 0.000 1.075 291 T CA -0.000 62.223 62.100 0.206 0.000 1.005 291 T CB 2.497 71.584 68.868 0.365 0.000 1.136 291 T HN 1.382 nan 8.240 nan 0.000 0.498 292 A N 0.828 123.787 122.820 0.232 0.000 4.999 292 A HA 0.671 4.991 4.320 -0.000 0.000 0.234 292 A C 0.358 178.013 177.584 0.118 0.000 0.948 292 A CA 0.084 52.206 52.037 0.141 0.000 0.605 292 A CB -0.669 18.397 19.000 0.111 0.000 1.908 292 A HN 0.979 nan 8.150 nan 0.000 0.935 293 K N -1.637 118.806 120.400 0.072 0.000 6.244 293 K HA -0.357 3.963 4.320 -0.000 0.000 0.320 293 K C 1.529 178.134 176.600 0.008 0.000 0.632 293 K CA 2.553 58.868 56.287 0.047 0.000 1.101 293 K CB -1.602 30.939 32.500 0.069 0.000 0.782 293 K HN 1.494 nan 8.250 nan 0.000 0.907 294 G N 0.814 109.638 108.800 0.040 0.000 2.501 294 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.220 294 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.220 294 G C 1.304 176.063 174.900 -0.235 0.000 1.114 294 G CA 1.046 46.132 45.100 -0.023 0.000 0.757 294 G HN 0.491 nan 8.290 nan 0.000 0.559 295 I N 0.311 120.667 120.570 -0.356 0.000 2.286 295 I HA -0.024 4.146 4.170 -0.000 0.000 0.248 295 I C 2.119 177.920 176.117 -0.527 0.000 1.115 295 I CA 1.476 62.275 61.300 -0.836 0.000 1.392 295 I CB 0.145 37.868 38.000 -0.461 0.000 1.065 295 I HN 0.190 nan 8.210 nan 0.000 0.418 296 A N -0.154 122.497 122.820 -0.282 0.000 2.643 296 A HA 0.481 4.801 4.320 -0.000 0.000 0.295 296 A C 1.149 178.647 177.584 -0.143 0.000 1.065 296 A CA 0.227 52.146 52.037 -0.197 0.000 0.986 296 A CB -0.377 18.537 19.000 -0.145 0.000 1.212 296 A HN 0.573 nan 8.150 nan 0.000 0.516 297 G N -0.973 107.739 108.800 -0.146 0.000 2.379 297 G HA2 0.086 4.046 3.960 -0.000 0.000 0.297 297 G HA3 0.086 4.046 3.960 -0.000 0.000 0.297 297 G C 1.463 176.320 174.900 -0.072 0.000 1.004 297 G CA 1.459 46.498 45.100 -0.100 0.000 0.921 297 G HN 2.197 nan 8.290 nan 0.000 0.511 298 G N -2.346 106.414 108.800 -0.066 0.000 2.541 298 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.201 298 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.201 298 G C 0.296 175.166 174.900 -0.051 0.000 1.026 298 G CA 0.102 45.172 45.100 -0.050 0.000 0.687 298 G HN 1.030 nan 8.290 nan 0.000 0.492 299 L N 2.887 124.072 121.223 -0.063 0.000 2.436 299 L HA 0.525 4.865 4.340 -0.000 0.000 0.265 299 L C -1.913 174.925 176.870 -0.053 0.000 1.168 299 L CA -1.536 53.267 54.840 -0.062 0.000 0.815 299 L CB 0.297 42.313 42.059 -0.070 0.000 1.109 299 L HN -0.033 nan 8.230 nan 0.000 0.462 300 P HA 0.350 nan 4.420 nan 0.000 0.275 300 P C -1.123 176.169 177.300 -0.013 0.000 1.276 300 P CA -0.144 62.941 63.100 -0.026 0.000 0.782 300 P CB 0.798 32.476 31.700 -0.037 0.000 0.851 301 L N 3.034 124.254 121.223 -0.005 0.000 2.545 301 L HA 0.660 5.000 4.340 -0.000 0.000 0.258 301 L C -0.838 176.049 176.870 0.029 0.000 0.942 301 L CA -0.093 54.744 54.840 -0.004 0.000 0.855 301 L CB 2.111 44.135 42.059 -0.058 0.000 1.374 301 L HN 0.454 nan 8.230 nan 0.000 0.411 302 S N 2.606 118.346 115.700 0.067 0.000 2.671 302 S HA 1.064 5.534 4.470 -0.000 0.000 0.277 302 S C -1.112 173.570 174.600 0.137 0.000 1.165 302 S CA -0.142 58.130 58.200 0.121 0.000 0.822 302 S CB 1.844 65.140 63.200 0.160 0.000 1.150 302 S HN 1.704 nan 8.310 nan 0.000 0.479 303 A N 0.226 123.151 122.820 0.174 0.000 2.604 303 A HA 0.740 5.059 4.320 -0.000 0.000 0.295 303 A C -1.647 176.037 177.584 0.167 0.000 1.067 303 A CA -0.690 51.435 52.037 0.147 0.000 0.683 303 A CB 1.440 20.481 19.000 0.067 0.000 1.281 303 A HN 1.335 nan 8.150 nan 0.000 0.407 304 V N 1.333 121.355 119.914 0.179 0.000 2.487 304 V HA 0.741 4.861 4.120 -0.000 0.000 0.298 304 V C -0.295 175.833 176.094 0.057 0.000 1.028 304 V CA -0.293 62.076 62.300 0.115 0.000 0.860 304 V CB 1.815 33.738 31.823 0.166 0.000 0.991 304 V HN 0.960 nan 8.190 nan 0.000 0.427 305 T N 3.219 117.771 114.554 -0.004 0.000 2.861 305 T HA 0.867 5.217 4.350 -0.000 0.000 0.287 305 T C 0.142 174.820 174.700 -0.037 0.000 1.003 305 T CA -0.275 61.809 62.100 -0.028 0.000 0.977 305 T CB 1.880 70.706 68.868 -0.071 0.000 0.996 305 T HN 1.141 nan 8.240 nan 0.000 0.448 306 G N 1.267 110.059 108.800 -0.012 0.000 2.488 306 G HA2 0.489 4.449 3.960 -0.000 0.000 0.301 306 G HA3 0.489 4.449 3.960 -0.000 0.000 0.301 306 G C -1.436 173.488 174.900 0.040 0.000 1.339 306 G CA -1.135 43.969 45.100 0.007 0.000 0.803 306 G HN 0.670 nan 8.290 nan 0.000 0.482 307 R N 0.286 120.803 120.500 0.030 0.000 2.494 307 R HA 0.211 4.551 4.340 -0.000 0.000 0.291 307 R C 1.719 177.997 176.300 -0.037 0.000 0.953 307 R CA 0.524 56.627 56.100 0.006 0.000 1.098 307 R CB 0.720 30.917 30.300 -0.173 0.000 0.911 307 R HN 0.690 nan 8.270 nan 0.000 0.407 308 A N 4.440 127.267 122.820 0.012 0.000 1.903 308 A HA -0.289 4.031 4.320 -0.000 0.000 0.219 308 A C 1.692 179.254 177.584 -0.036 0.000 1.191 308 A CA 1.989 54.025 52.037 -0.003 0.000 0.638 308 A CB -0.249 18.762 19.000 0.018 0.000 0.823 308 A HN 0.816 nan 8.150 nan 0.000 0.451 309 E N 0.142 120.301 120.200 -0.069 0.000 2.106 309 E HA -0.059 4.291 4.350 -0.000 0.000 0.192 309 E C 1.769 178.243 176.600 -0.208 0.000 0.984 309 E CA 1.144 57.509 56.400 -0.059 0.000 0.806 309 E CB -0.424 29.271 29.700 -0.008 0.000 0.750 309 E HN 0.734 nan 8.360 nan 0.000 0.458 310 I N 0.279 120.557 120.570 -0.487 0.000 2.163 310 I HA -0.215 3.955 4.170 -0.000 0.000 0.240 310 I C 2.129 178.130 176.117 -0.192 0.000 1.081 310 I CA 0.853 61.737 61.300 -0.694 0.000 1.353 310 I CB -0.319 37.306 38.000 -0.625 0.000 1.054 310 I HN 0.121 nan 8.210 nan 0.000 0.407 311 M N 0.149 119.684 119.600 -0.109 0.000 2.195 311 M HA -0.225 4.255 4.480 -0.000 0.000 0.260 311 M C 1.345 177.663 176.300 0.029 0.000 1.066 311 M CA 1.685 56.977 55.300 -0.013 0.000 1.089 311 M CB -1.187 31.414 32.600 0.001 0.000 1.377 311 M HN 0.208 nan 8.290 nan 0.000 0.411 312 D N -0.265 120.151 120.400 0.027 0.000 2.349 312 D HA 0.087 4.726 4.640 -0.000 0.000 0.224 312 D C 1.906 178.264 176.300 0.096 0.000 1.029 312 D CA 0.522 54.557 54.000 0.058 0.000 0.879 312 D CB -0.302 40.528 40.800 0.051 0.000 0.906 312 D HN 0.377 nan 8.370 nan 0.000 0.528 313 G N 1.957 110.839 108.800 0.137 0.000 2.631 313 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.219 313 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.219 313 G C -1.425 173.546 174.900 0.119 0.000 1.214 313 G CA 0.191 45.407 45.100 0.193 0.000 0.785 313 G HN 0.290 nan 8.290 nan 0.000 0.596 314 P HA 0.184 nan 4.420 nan 0.000 0.266 314 P C -0.009 177.332 177.300 0.068 0.000 1.195 314 P CA -0.105 63.043 63.100 0.080 0.000 0.768 314 P CB 0.496 32.247 31.700 0.086 0.000 0.838 315 Q N 1.130 120.963 119.800 0.055 0.000 2.454 315 Q HA 0.169 4.509 4.340 -0.000 0.000 0.247 315 Q C 0.024 176.051 176.000 0.044 0.000 1.028 315 Q CA -0.551 55.278 55.803 0.044 0.000 0.910 315 Q CB 0.220 28.978 28.738 0.033 0.000 1.276 315 Q HN 0.266 nan 8.270 nan 0.000 0.489 316 S N 0.500 116.221 115.700 0.035 0.000 2.626 316 S HA 0.246 4.716 4.470 -0.000 0.000 0.303 316 S C 1.095 175.714 174.600 0.030 0.000 1.256 316 S CA 1.052 59.270 58.200 0.029 0.000 1.069 316 S CB -0.897 62.312 63.200 0.016 0.000 0.807 316 S HN 1.143 nan 8.310 nan 0.000 0.500 317 G N 3.511 112.333 108.800 0.038 0.000 2.176 317 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.253 317 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.253 317 G C 0.905 175.838 174.900 0.055 0.000 0.979 317 G CA 0.417 45.541 45.100 0.041 0.000 0.641 317 G HN 1.245 nan 8.290 nan 0.000 0.530 318 G N -0.379 108.458 108.800 0.062 0.000 2.551 318 G HA2 0.431 4.391 3.960 -0.000 0.000 0.216 318 G HA3 0.431 4.391 3.960 -0.000 0.000 0.216 318 G C 0.749 175.705 174.900 0.094 0.000 1.137 318 G CA 0.605 45.745 45.100 0.067 0.000 0.798 318 G HN 0.566 nan 8.290 nan 0.000 0.536 319 L N -0.051 121.246 121.223 0.125 0.000 2.331 319 L HA 0.747 5.087 4.340 -0.000 0.000 0.275 319 L C 0.664 177.667 176.870 0.222 0.000 1.022 319 L CA -0.170 54.792 54.840 0.204 0.000 0.812 319 L CB 1.969 44.177 42.059 0.249 0.000 1.257 319 L HN 0.269 nan 8.230 nan 0.000 0.435 320 G N 0.756 109.756 108.800 0.335 0.000 2.455 320 G HA2 0.519 4.479 3.960 -0.000 0.000 0.223 320 G HA3 0.519 4.479 3.960 -0.000 0.000 0.223 320 G C -0.758 174.341 174.900 0.332 0.000 1.226 320 G CA 0.115 45.384 45.100 0.282 0.000 0.948 320 G HN 1.075 nan 8.290 nan 0.000 0.478 321 G N -2.581 106.354 108.800 0.224 0.000 2.316 321 G HA2 0.490 4.450 3.960 -0.000 0.000 0.468 321 G HA3 0.490 4.450 3.960 -0.000 0.000 0.468 321 G C 0.363 175.366 174.900 0.171 0.000 1.523 321 G CA 0.690 45.914 45.100 0.207 0.000 0.972 321 G HN 1.269 nan 8.290 nan 0.000 0.667 322 T N 0.260 114.867 114.554 0.089 0.000 2.732 322 T HA -0.011 4.339 4.350 -0.000 0.000 0.261 322 T C 1.813 176.635 174.700 0.203 0.000 1.040 322 T CA 2.195 64.320 62.100 0.041 0.000 1.145 322 T CB -0.211 68.533 68.868 -0.207 0.000 0.866 322 T HN 0.455 nan 8.240 nan 0.000 0.427 323 Y N 1.117 121.575 120.300 0.264 0.000 2.523 323 Y HA 0.312 4.862 4.550 -0.000 0.000 0.279 323 Y C 1.852 177.917 175.900 0.275 0.000 1.139 323 Y CA -0.802 57.472 58.100 0.291 0.000 1.296 323 Y CB -0.063 38.496 38.460 0.165 0.000 1.045 323 Y HN 0.180 nan 8.280 nan 0.000 0.538 324 G N 0.261 109.288 108.800 0.379 0.000 2.321 324 G HA2 0.270 4.229 3.960 -0.000 0.000 0.237 324 G HA3 0.270 4.229 3.960 -0.000 0.000 0.237 324 G C 0.942 175.961 174.900 0.198 0.000 1.282 324 G CA 0.266 45.511 45.100 0.242 0.000 0.886 324 G HN 0.566 nan 8.290 nan 0.000 0.528 325 G N 1.340 110.156 108.800 0.026 0.000 2.295 325 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.287 325 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.287 325 G C 0.529 175.570 174.900 0.234 0.000 1.055 325 G CA 0.272 45.319 45.100 -0.088 0.000 0.922 325 G HN 1.084 nan 8.290 nan 0.000 0.503 326 N N 0.450 119.279 118.700 0.215 0.000 2.356 326 N HA 0.057 4.797 4.740 -0.000 0.000 0.252 326 N C -0.269 175.301 175.510 0.101 0.000 1.241 326 N CA -0.365 52.818 53.050 0.222 0.000 0.861 326 N CB 1.011 39.587 38.487 0.148 0.000 1.075 326 N HN 0.077 nan 8.380 nan 0.000 0.461 327 P HA -0.142 nan 4.420 nan 0.000 0.216 327 P C 1.489 178.678 177.300 -0.184 0.000 1.150 327 P CA 1.094 64.048 63.100 -0.243 0.000 0.843 327 P CB 0.241 31.575 31.700 -0.611 0.000 0.787 328 L N -0.593 120.538 121.223 -0.153 0.000 2.109 328 L HA -0.050 4.290 4.340 -0.000 0.000 0.207 328 L C 2.644 179.458 176.870 -0.093 0.000 1.086 328 L CA 1.889 56.651 54.840 -0.131 0.000 0.760 328 L CB -1.828 40.167 42.059 -0.108 0.000 0.910 328 L HN -0.093 nan 8.230 nan 0.000 0.437 329 A N -1.386 121.394 122.820 -0.066 0.000 1.930 329 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 329 A C 2.434 179.973 177.584 -0.075 0.000 1.175 329 A CA 1.810 53.808 52.037 -0.066 0.000 0.627 329 A CB -1.250 17.722 19.000 -0.048 0.000 0.815 329 A HN 0.525 nan 8.150 nan 0.000 0.443 330 C N -1.028 118.243 119.300 -0.048 0.000 2.453 330 C HA 0.088 4.548 4.460 -0.000 0.000 0.277 330 C C 3.314 178.272 174.990 -0.054 0.000 1.262 330 C CA 0.678 59.670 59.018 -0.043 0.000 1.718 330 C CB -1.343 26.422 27.740 0.041 0.000 2.031 330 C HN 0.706 nan 8.230 nan 0.000 0.480 331 A N 0.683 123.466 122.820 -0.061 0.000 1.940 331 A HA 0.004 4.323 4.320 -0.000 0.000 0.219 331 A C 2.351 179.884 177.584 -0.085 0.000 1.176 331 A CA 2.187 54.181 52.037 -0.072 0.000 0.631 331 A CB -0.864 18.079 19.000 -0.095 0.000 0.814 331 A HN 0.594 nan 8.150 nan 0.000 0.446 332 A N -0.314 122.450 122.820 -0.094 0.000 1.930 332 A HA 0.206 4.526 4.320 -0.000 0.000 0.217 332 A C 2.471 179.977 177.584 -0.130 0.000 1.175 332 A CA 1.911 53.887 52.037 -0.103 0.000 0.627 332 A CB -0.893 18.048 19.000 -0.099 0.000 0.815 332 A HN 1.033 nan 8.150 nan 0.000 0.443 333 A N -0.212 122.523 122.820 -0.143 0.000 1.930 333 A HA 0.006 4.326 4.320 -0.000 0.000 0.217 333 A C 2.136 179.610 177.584 -0.183 0.000 1.175 333 A CA 1.384 53.305 52.037 -0.193 0.000 0.627 333 A CB -0.549 18.340 19.000 -0.184 0.000 0.815 333 A HN 0.467 nan 8.150 nan 0.000 0.443 334 L N -0.820 120.315 121.223 -0.146 0.000 2.046 334 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 334 L C 3.077 179.854 176.870 -0.154 0.000 1.077 334 L CA 1.029 55.768 54.840 -0.169 0.000 0.747 334 L CB -0.542 41.447 42.059 -0.117 0.000 0.896 334 L HN 0.431 nan 8.230 nan 0.000 0.432 335 A N -0.388 122.361 122.820 -0.118 0.000 1.933 335 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 335 A C 2.363 179.883 177.584 -0.106 0.000 1.175 335 A CA 1.552 53.530 52.037 -0.098 0.000 0.628 335 A CB -0.758 18.194 19.000 -0.081 0.000 0.814 335 A HN 0.175 nan 8.150 nan 0.000 0.444 336 V N 0.193 120.027 119.914 -0.134 0.000 2.287 336 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 336 V C 2.432 178.456 176.094 -0.118 0.000 1.053 336 V CA 2.195 64.409 62.300 -0.143 0.000 1.027 336 V CB -0.634 31.056 31.823 -0.222 0.000 0.646 336 V HN 0.591 nan 8.190 nan 0.000 0.447 337 I N 0.126 120.616 120.570 -0.133 0.000 2.226 337 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 337 I C 2.317 178.392 176.117 -0.070 0.000 1.100 337 I CA 2.119 63.371 61.300 -0.080 0.000 1.374 337 I CB -0.412 37.506 38.000 -0.136 0.000 1.057 337 I HN 0.377 nan 8.210 nan 0.000 0.413 338 D N 0.248 120.590 120.400 -0.097 0.000 2.117 338 D HA -0.170 4.470 4.640 -0.000 0.000 0.197 338 D C 2.093 178.368 176.300 -0.041 0.000 0.987 338 D CA 1.631 55.593 54.000 -0.062 0.000 0.829 338 D CB 0.088 40.850 40.800 -0.064 0.000 0.961 338 D HN 0.170 nan 8.370 nan 0.000 0.460 339 T N -0.033 114.492 114.554 -0.048 0.000 2.821 339 T HA -0.078 4.272 4.350 -0.000 0.000 0.267 339 T C 2.074 176.757 174.700 -0.029 0.000 1.046 339 T CA 0.743 62.820 62.100 -0.038 0.000 1.139 339 T CB -0.214 68.627 68.868 -0.045 0.000 0.871 339 T HN 0.189 nan 8.240 nan 0.000 0.454 340 I N 0.839 121.392 120.570 -0.028 0.000 2.127 340 I HA -0.209 3.960 4.170 -0.000 0.000 0.241 340 I C 2.759 178.867 176.117 -0.015 0.000 1.075 340 I CA 1.476 62.765 61.300 -0.018 0.000 1.334 340 I CB -0.298 37.701 38.000 -0.002 0.000 1.040 340 I HN 0.212 nan 8.210 nan 0.000 0.405 341 E N 1.193 121.387 120.200 -0.009 0.000 2.017 341 E HA -0.251 4.099 4.350 -0.000 0.000 0.193 341 E C 2.285 178.882 176.600 -0.005 0.000 0.997 341 E CA 1.546 57.944 56.400 -0.002 0.000 0.804 341 E CB -0.183 29.522 29.700 0.008 0.000 0.757 341 E HN 0.147 nan 8.360 nan 0.000 0.448 342 R N -0.189 120.306 120.500 -0.008 0.000 2.091 342 R HA -0.106 4.234 4.340 -0.000 0.000 0.238 342 R C 1.133 177.427 176.300 -0.009 0.000 1.136 342 R CA 1.640 57.736 56.100 -0.008 0.000 0.959 342 R CB 0.056 30.349 30.300 -0.011 0.000 0.856 342 R HN 0.133 nan 8.270 nan 0.000 0.437 343 E N 0.394 120.586 120.200 -0.013 0.000 2.476 343 E HA 0.040 4.390 4.350 -0.000 0.000 0.196 343 E C -0.433 176.159 176.600 -0.014 0.000 1.029 343 E CA -0.137 56.255 56.400 -0.013 0.000 0.896 343 E CB 0.192 29.883 29.700 -0.015 0.000 1.012 343 E HN 0.239 nan 8.360 nan 0.000 0.475 344 N N 1.340 120.032 118.700 -0.013 0.000 2.669 344 N HA -0.206 4.533 4.740 -0.000 0.000 0.266 344 N C 0.633 176.130 175.510 -0.021 0.000 1.024 344 N CA 0.357 53.398 53.050 -0.016 0.000 0.766 344 N CB -1.208 37.272 38.487 -0.012 0.000 0.898 344 N HN 0.309 nan 8.380 nan 0.000 0.548 345 L N -0.805 120.403 121.223 -0.025 0.000 2.313 345 L HA -0.043 4.297 4.340 -0.000 0.000 0.214 345 L C 2.153 178.999 176.870 -0.040 0.000 1.119 345 L CA 0.403 55.224 54.840 -0.031 0.000 0.809 345 L CB -0.016 42.025 42.059 -0.030 0.000 0.933 345 L HN 0.159 nan 8.230 nan 0.000 0.449 346 V N 0.562 120.450 119.914 -0.044 0.000 2.287 346 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 346 V C 2.780 178.848 176.094 -0.043 0.000 1.053 346 V CA 2.018 64.285 62.300 -0.054 0.000 1.027 346 V CB -0.794 30.993 31.823 -0.059 0.000 0.646 346 V HN 0.505 nan 8.190 nan 0.000 0.447 347 A N 0.027 122.828 122.820 -0.032 0.000 1.969 347 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 347 A C 2.281 179.848 177.584 -0.028 0.000 1.169 347 A CA 1.816 53.837 52.037 -0.026 0.000 0.635 347 A CB -0.475 18.515 19.000 -0.018 0.000 0.810 347 A HN 0.454 nan 8.150 nan 0.000 0.445 348 R N 0.374 120.856 120.500 -0.030 0.000 2.075 348 R HA -0.003 4.337 4.340 -0.000 0.000 0.232 348 R C 2.122 178.397 176.300 -0.041 0.000 1.126 348 R CA 1.864 57.945 56.100 -0.032 0.000 0.963 348 R CB -0.879 29.403 30.300 -0.029 0.000 0.858 348 R HN 0.367 nan 8.270 nan 0.000 0.435 349 A N 0.652 123.443 122.820 -0.048 0.000 1.908 349 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 349 A C 2.204 179.753 177.584 -0.057 0.000 1.181 349 A CA 1.667 53.669 52.037 -0.058 0.000 0.627 349 A CB -0.491 18.469 19.000 -0.067 0.000 0.818 349 A HN 0.371 nan 8.150 nan 0.000 0.445 350 R N -0.765 119.706 120.500 -0.049 0.000 2.081 350 R HA -0.078 4.262 4.340 -0.000 0.000 0.235 350 R C 2.510 178.787 176.300 -0.039 0.000 1.131 350 R CA 1.179 57.254 56.100 -0.043 0.000 0.960 350 R CB -0.458 29.824 30.300 -0.031 0.000 0.856 350 R HN 0.526 nan 8.270 nan 0.000 0.436 351 A N 1.195 123.994 122.820 -0.035 0.000 1.902 351 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 351 A C 2.127 179.686 177.584 -0.042 0.000 1.181 351 A CA 1.171 53.189 52.037 -0.032 0.000 0.623 351 A CB -0.440 18.545 19.000 -0.025 0.000 0.818 351 A HN 0.184 nan 8.150 nan 0.000 0.443 352 I N -0.519 120.020 120.570 -0.052 0.000 2.252 352 I HA -0.184 3.986 4.170 -0.000 0.000 0.245 352 I C 2.673 178.744 176.117 -0.077 0.000 1.102 352 I CA 1.082 62.340 61.300 -0.071 0.000 1.385 352 I CB -0.559 37.389 38.000 -0.086 0.000 1.064 352 I HN 0.416 nan 8.210 nan 0.000 0.414 353 G N 0.209 108.969 108.800 -0.067 0.000 2.404 353 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.215 353 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.215 353 G C 1.490 176.357 174.900 -0.054 0.000 1.174 353 G CA 0.771 45.833 45.100 -0.063 0.000 0.780 353 G HN 0.447 nan 8.290 nan 0.000 0.537 354 E N 0.027 120.200 120.200 -0.045 0.000 2.065 354 E HA -0.209 4.141 4.350 -0.000 0.000 0.201 354 E C 2.475 179.050 176.600 -0.042 0.000 1.016 354 E CA 1.904 58.283 56.400 -0.036 0.000 0.818 354 E CB -0.298 29.385 29.700 -0.028 0.000 0.749 354 E HN 0.383 nan 8.360 nan 0.000 0.453 355 T N 0.896 115.421 114.554 -0.047 0.000 2.708 355 T HA -0.145 4.204 4.350 -0.000 0.000 0.266 355 T C 1.931 176.590 174.700 -0.069 0.000 1.037 355 T CA 1.669 63.739 62.100 -0.050 0.000 1.146 355 T CB -0.167 68.674 68.868 -0.046 0.000 0.865 355 T HN 0.227 nan 8.240 nan 0.000 0.435 356 M N 0.468 120.013 119.600 -0.091 0.000 2.117 356 M HA 0.022 4.502 4.480 -0.000 0.000 0.262 356 M C 2.283 178.520 176.300 -0.104 0.000 1.065 356 M CA 1.442 56.666 55.300 -0.128 0.000 1.114 356 M CB -0.622 31.883 32.600 -0.158 0.000 1.361 356 M HN 0.204 nan 8.290 nan 0.000 0.408 357 L N -0.943 120.239 121.223 -0.068 0.000 2.141 357 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 357 L C 2.753 179.592 176.870 -0.052 0.000 1.094 357 L CA 0.968 55.778 54.840 -0.050 0.000 0.763 357 L CB -0.572 41.467 42.059 -0.034 0.000 0.908 357 L HN 0.328 nan 8.230 nan 0.000 0.437 358 S N -0.341 115.328 115.700 -0.051 0.000 2.345 358 S HA -0.123 4.347 4.470 -0.000 0.000 0.220 358 S C 2.247 176.813 174.600 -0.056 0.000 1.031 358 S CA 0.801 58.974 58.200 -0.045 0.000 0.996 358 S CB -0.001 63.178 63.200 -0.037 0.000 0.882 358 S HN 0.263 nan 8.310 nan 0.000 0.445 359 R N 0.934 121.393 120.500 -0.068 0.000 2.073 359 R HA 0.060 4.400 4.340 -0.000 0.000 0.234 359 R C 2.358 178.595 176.300 -0.106 0.000 1.134 359 R CA 1.161 57.214 56.100 -0.079 0.000 0.952 359 R CB -1.316 28.935 30.300 -0.081 0.000 0.850 359 R HN 0.468 nan 8.270 nan 0.000 0.433 360 L N -0.415 120.733 121.223 -0.126 0.000 2.156 360 L HA -0.026 4.313 4.340 -0.000 0.000 0.208 360 L C 2.488 179.291 176.870 -0.112 0.000 1.095 360 L CA 1.197 55.952 54.840 -0.143 0.000 0.770 360 L CB -0.781 41.194 42.059 -0.140 0.000 0.914 360 L HN 0.289 nan 8.230 nan 0.000 0.439 361 G N -0.170 108.582 108.800 -0.080 0.000 2.418 361 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 361 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 361 G C 1.770 176.630 174.900 -0.066 0.000 1.158 361 G CA 0.778 45.841 45.100 -0.062 0.000 0.771 361 G HN 0.447 nan 8.290 nan 0.000 0.545 362 A N 0.199 122.979 122.820 -0.067 0.000 1.969 362 A HA 0.150 4.469 4.320 -0.000 0.000 0.218 362 A C 2.315 179.849 177.584 -0.083 0.000 1.169 362 A CA 1.489 53.489 52.037 -0.062 0.000 0.635 362 A CB -0.346 18.623 19.000 -0.051 0.000 0.810 362 A HN 0.396 nan 8.150 nan 0.000 0.445 363 L N -0.184 120.966 121.223 -0.121 0.000 2.046 363 L HA -0.053 4.287 4.340 -0.000 0.000 0.208 363 L C 2.631 179.399 176.870 -0.170 0.000 1.077 363 L CA 2.184 56.919 54.840 -0.175 0.000 0.747 363 L CB -0.677 41.210 42.059 -0.286 0.000 0.896 363 L HN 0.321 nan 8.230 nan 0.000 0.432 364 A N -0.764 121.965 122.820 -0.151 0.000 1.969 364 A HA -0.002 4.317 4.320 -0.000 0.000 0.218 364 A C 2.410 179.954 177.584 -0.067 0.000 1.169 364 A CA 1.362 53.330 52.037 -0.115 0.000 0.635 364 A CB -0.985 17.959 19.000 -0.092 0.000 0.810 364 A HN 0.544 nan 8.150 nan 0.000 0.445 365 A N -0.509 122.277 122.820 -0.057 0.000 1.972 365 A HA 0.227 4.547 4.320 -0.000 0.000 0.219 365 A C 2.145 179.711 177.584 -0.029 0.000 1.169 365 A CA 1.867 53.883 52.037 -0.034 0.000 0.635 365 A CB -0.497 18.485 19.000 -0.030 0.000 0.810 365 A HN 1.088 nan 8.150 nan 0.000 0.446 366 A N -1.975 120.821 122.820 -0.040 0.000 2.390 366 A HA 0.318 4.638 4.320 -0.000 0.000 0.232 366 A C 0.310 177.881 177.584 -0.022 0.000 1.233 366 A CA 0.406 52.427 52.037 -0.027 0.000 0.907 366 A CB 0.292 19.276 19.000 -0.027 0.000 0.967 366 A HN 0.259 nan 8.150 nan 0.000 0.512 367 D N 0.007 120.385 120.400 -0.038 0.000 2.358 367 D HA 0.258 4.897 4.640 -0.000 0.000 0.253 367 D C -2.382 173.913 176.300 -0.007 0.000 1.288 367 D CA -1.445 52.544 54.000 -0.017 0.000 0.950 367 D CB 1.744 42.516 40.800 -0.047 0.000 1.197 367 D HN -0.013 nan 8.370 nan 0.000 0.550 368 P HA -0.008 nan 4.420 nan 0.000 0.239 368 P C 0.917 178.246 177.300 0.049 0.000 1.184 368 P CA 0.212 63.328 63.100 0.028 0.000 0.760 368 P CB 0.289 32.007 31.700 0.030 0.000 0.884 369 R N -0.414 120.127 120.500 0.068 0.000 2.280 369 R HA 0.131 4.471 4.340 -0.000 0.000 0.207 369 R C 0.973 177.334 176.300 0.101 0.000 1.043 369 R CA 0.305 56.465 56.100 0.101 0.000 1.006 369 R CB -0.321 30.068 30.300 0.149 0.000 0.885 369 R HN 0.268 nan 8.270 nan 0.000 0.467 370 I N 0.877 121.475 120.570 0.046 0.000 2.301 370 I HA 0.059 4.229 4.170 -0.000 0.000 0.292 370 I C 1.407 177.514 176.117 -0.016 0.000 1.046 370 I CA -0.203 61.095 61.300 -0.004 0.000 1.282 370 I CB 1.624 39.567 38.000 -0.094 0.000 1.409 370 I HN 0.160 nan 8.210 nan 0.000 0.484 371 G N 5.256 114.031 108.800 -0.041 0.000 2.396 371 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.214 371 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.214 371 G C 0.450 175.217 174.900 -0.222 0.000 1.166 371 G CA 0.342 45.418 45.100 -0.039 0.000 0.793 371 G HN 0.619 nan 8.290 nan 0.000 0.533 372 E N -0.957 119.013 120.200 -0.383 0.000 2.352 372 E HA 0.472 4.822 4.350 -0.000 0.000 0.280 372 E C -1.736 174.760 176.600 -0.174 0.000 0.930 372 E CA -0.660 55.543 56.400 -0.327 0.000 0.765 372 E CB 2.508 31.841 29.700 -0.611 0.000 1.219 372 E HN -0.074 nan 8.360 nan 0.000 0.434 373 V N 3.971 123.833 119.914 -0.088 0.000 2.459 373 V HA 0.687 4.807 4.120 -0.000 0.000 0.295 373 V C -0.155 175.931 176.094 -0.012 0.000 1.029 373 V CA -0.510 61.772 62.300 -0.030 0.000 0.874 373 V CB 1.258 33.069 31.823 -0.021 0.000 0.985 373 V HN 0.752 nan 8.190 nan 0.000 0.438 374 R N 2.715 123.229 120.500 0.024 0.000 2.752 374 R HA 0.895 5.235 4.340 -0.000 0.000 0.271 374 R C -0.123 176.214 176.300 0.061 0.000 1.026 374 R CA -0.214 55.902 56.100 0.027 0.000 0.901 374 R CB 1.874 32.181 30.300 0.012 0.000 1.243 374 R HN 1.476 nan 8.270 nan 0.000 0.463 375 G N 0.477 109.284 108.800 0.011 0.000 2.525 375 G HA2 0.052 4.012 3.960 -0.000 0.000 0.685 375 G HA3 0.052 4.012 3.960 -0.000 0.000 0.685 375 G C -1.438 173.413 174.900 -0.081 0.000 1.290 375 G CA -0.622 44.457 45.100 -0.036 0.000 0.915 375 G HN 0.739 nan 8.290 nan 0.000 0.548 376 R N -0.811 119.610 120.500 -0.132 0.000 2.817 376 R HA 0.730 5.070 4.340 -0.000 0.000 0.268 376 R C 0.942 177.168 176.300 -0.125 0.000 1.027 376 R CA -0.066 55.950 56.100 -0.140 0.000 0.928 376 R CB 1.266 31.427 30.300 -0.231 0.000 1.228 376 R HN 2.504 nan 8.270 nan 0.000 0.469 377 G N 0.860 109.597 108.800 -0.104 0.000 2.622 377 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.307 377 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.307 377 G C 0.255 175.108 174.900 -0.078 0.000 1.226 377 G CA 0.448 45.493 45.100 -0.092 0.000 0.997 377 G HN 0.832 nan 8.290 nan 0.000 0.551 378 A N -0.622 122.150 122.820 -0.081 0.000 2.708 378 A HA 0.716 5.036 4.320 -0.000 0.000 0.293 378 A C 0.624 178.189 177.584 -0.033 0.000 1.303 378 A CA 1.080 53.078 52.037 -0.064 0.000 0.949 378 A CB -0.166 18.793 19.000 -0.069 0.000 1.121 378 A HN 1.144 nan 8.150 nan 0.000 0.542 379 M N 1.401 120.972 119.600 -0.047 0.000 2.067 379 M HA 0.420 4.899 4.480 -0.000 0.000 0.214 379 M C -2.153 174.171 176.300 0.040 0.000 0.891 379 M CA -0.242 55.004 55.300 -0.091 0.000 0.697 379 M CB 0.311 32.672 32.600 -0.398 0.000 1.616 379 M HN 0.066 nan 8.290 nan 0.000 0.354 380 I N 2.016 122.796 120.570 0.351 0.000 2.646 380 I HA 0.874 5.044 4.170 -0.000 0.000 0.299 380 I C -0.337 176.086 176.117 0.510 0.000 1.036 380 I CA -0.668 60.849 61.300 0.362 0.000 1.074 380 I CB 1.820 39.961 38.000 0.236 0.000 1.258 380 I HN 0.639 nan 8.210 nan 0.000 0.430 381 A N 4.390 127.423 122.820 0.355 0.000 2.572 381 A HA 0.825 5.145 4.320 -0.000 0.000 0.295 381 A C -1.124 176.539 177.584 0.132 0.000 1.072 381 A CA -0.582 51.515 52.037 0.100 0.000 0.691 381 A CB 2.026 20.984 19.000 -0.069 0.000 1.291 381 A HN 0.622 nan 8.150 nan 0.000 0.404 382 V N -0.916 119.053 119.914 0.092 0.000 2.555 382 V HA 0.782 4.902 4.120 -0.000 0.000 0.302 382 V C -0.365 175.715 176.094 -0.022 0.000 1.038 382 V CA -0.602 61.730 62.300 0.054 0.000 0.887 382 V CB 1.421 33.317 31.823 0.122 0.000 0.991 382 V HN 0.988 nan 8.190 nan 0.000 0.434 383 E N 3.905 124.052 120.200 -0.088 0.000 2.197 383 E HA 0.581 4.931 4.350 -0.000 0.000 0.281 383 E C -1.232 175.344 176.600 -0.040 0.000 0.995 383 E CA -0.722 55.626 56.400 -0.087 0.000 0.808 383 E CB 1.486 31.071 29.700 -0.192 0.000 1.093 383 E HN 0.828 nan 8.360 nan 0.000 0.394 384 L N 5.654 126.898 121.223 0.034 0.000 2.272 384 L HA 0.505 4.845 4.340 -0.000 0.000 0.289 384 L C -0.303 176.615 176.870 0.079 0.000 1.032 384 L CA -0.906 53.981 54.840 0.078 0.000 0.810 384 L CB 1.051 43.172 42.059 0.103 0.000 1.205 384 L HN 0.415 nan 8.230 nan 0.000 0.422 385 V N 0.187 120.155 119.914 0.091 0.000 3.160 385 V HA 0.486 4.606 4.120 -0.000 0.000 0.310 385 V C -0.308 175.830 176.094 0.073 0.000 1.181 385 V CA -1.329 61.028 62.300 0.095 0.000 1.047 385 V CB 1.881 33.800 31.823 0.161 0.000 1.068 385 V HN 0.725 nan 8.190 nan 0.000 0.441 386 K N 2.018 122.449 120.400 0.051 0.000 2.472 386 K HA 0.219 4.539 4.320 -0.000 0.000 0.280 386 K C -2.376 174.252 176.600 0.047 0.000 1.028 386 K CA -0.980 55.330 56.287 0.038 0.000 1.045 386 K CB 0.335 32.846 32.500 0.018 0.000 0.902 386 K HN 0.573 nan 8.250 nan 0.000 0.478 387 P HA -0.069 nan 4.420 nan 0.000 0.261 387 P C 0.323 177.646 177.300 0.038 0.000 1.173 387 P CA 1.115 64.243 63.100 0.046 0.000 0.760 387 P CB 0.540 32.261 31.700 0.036 0.000 0.783 388 G N 1.634 110.463 108.800 0.048 0.000 2.189 388 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.267 388 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.267 388 G C 0.384 175.291 174.900 0.011 0.000 0.975 388 G CA 0.697 45.816 45.100 0.032 0.000 0.644 388 G HN 0.852 nan 8.290 nan 0.000 0.537 389 T N -3.826 110.739 114.554 0.019 0.000 2.883 389 T HA 0.679 5.029 4.350 -0.000 0.000 0.284 389 T C 1.068 175.749 174.700 -0.033 0.000 1.041 389 T CA 0.846 62.927 62.100 -0.032 0.000 1.007 389 T CB 1.692 70.542 68.868 -0.030 0.000 1.220 389 T HN 0.929 nan 8.240 nan 0.000 0.552 390 T N -2.385 112.085 114.554 -0.141 0.000 3.134 390 T HA 0.295 4.645 4.350 -0.000 0.000 0.260 390 T C 0.084 174.721 174.700 -0.105 0.000 1.027 390 T CA -0.461 61.538 62.100 -0.169 0.000 0.913 390 T CB -0.527 68.062 68.868 -0.465 0.000 1.046 390 T HN 0.705 nan 8.240 nan 0.000 0.553 391 E N 3.681 123.838 120.200 -0.071 0.000 2.406 391 E HA 0.183 4.533 4.350 -0.000 0.000 0.258 391 E C -2.424 174.159 176.600 -0.028 0.000 1.043 391 E CA -1.752 54.608 56.400 -0.067 0.000 0.929 391 E CB 0.367 30.043 29.700 -0.041 0.000 0.969 391 E HN 0.355 nan 8.360 nan 0.000 0.462 392 P HA -0.007 nan 4.420 nan 0.000 0.272 392 P C -0.543 176.776 177.300 0.031 0.000 1.223 392 P CA 0.021 63.124 63.100 0.005 0.000 0.784 392 P CB 0.550 32.260 31.700 0.016 0.000 0.923 393 D N 1.151 121.579 120.400 0.046 0.000 2.502 393 D HA 0.332 4.972 4.640 -0.000 0.000 0.301 393 D C 1.084 177.401 176.300 0.028 0.000 1.202 393 D CA -0.534 53.486 54.000 0.034 0.000 0.878 393 D CB 0.223 41.043 40.800 0.033 0.000 1.062 393 D HN 0.195 nan 8.370 nan 0.000 0.499 394 A N 1.762 124.603 122.820 0.035 0.000 1.902 394 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 394 A C 1.816 179.396 177.584 -0.007 0.000 1.181 394 A CA 1.256 53.306 52.037 0.021 0.000 0.623 394 A CB -0.041 18.980 19.000 0.035 0.000 0.818 394 A HN 0.367 nan 8.150 nan 0.000 0.443 395 D N -0.366 120.030 120.400 -0.007 0.000 2.106 395 D HA -0.175 4.465 4.640 -0.000 0.000 0.191 395 D C 1.886 178.160 176.300 -0.042 0.000 0.997 395 D CA 1.666 55.652 54.000 -0.023 0.000 0.834 395 D CB -0.464 40.327 40.800 -0.016 0.000 0.956 395 D HN 0.358 nan 8.370 nan 0.000 0.448 396 L N 1.040 122.240 121.223 -0.039 0.000 2.042 396 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 396 L C 2.275 179.082 176.870 -0.105 0.000 1.076 396 L CA 1.818 56.617 54.840 -0.068 0.000 0.749 396 L CB -0.952 41.082 42.059 -0.041 0.000 0.893 396 L HN -0.027 nan 8.230 nan 0.000 0.432 397 T N -0.441 114.070 114.554 -0.071 0.000 2.684 397 T HA -0.226 4.124 4.350 -0.000 0.000 0.267 397 T C 1.858 176.488 174.700 -0.116 0.000 1.036 397 T CA 1.942 63.990 62.100 -0.085 0.000 1.148 397 T CB -0.240 68.600 68.868 -0.045 0.000 0.863 397 T HN 0.377 nan 8.240 nan 0.000 0.436 398 K N 0.673 121.018 120.400 -0.092 0.000 2.097 398 K HA 0.018 4.338 4.320 -0.000 0.000 0.205 398 K C 2.667 179.191 176.600 -0.127 0.000 1.050 398 K CA 0.858 57.085 56.287 -0.099 0.000 0.938 398 K CB -0.106 32.355 32.500 -0.065 0.000 0.718 398 K HN 0.237 nan 8.250 nan 0.000 0.442 399 R N 0.565 120.991 120.500 -0.123 0.000 2.073 399 R HA -0.101 4.239 4.340 -0.000 0.000 0.234 399 R C 2.343 178.529 176.300 -0.190 0.000 1.134 399 R CA 1.284 57.303 56.100 -0.135 0.000 0.952 399 R CB -0.526 29.703 30.300 -0.118 0.000 0.850 399 R HN 0.007 nan 8.270 nan 0.000 0.433 400 V N 1.088 120.854 119.914 -0.247 0.000 2.287 400 V HA -0.276 3.843 4.120 -0.000 0.000 0.248 400 V C 2.482 178.407 176.094 -0.281 0.000 1.053 400 V CA 2.070 64.174 62.300 -0.326 0.000 1.027 400 V CB -0.757 30.765 31.823 -0.502 0.000 0.646 400 V HN 0.430 nan 8.190 nan 0.000 0.447 401 A N -0.156 122.490 122.820 -0.290 0.000 1.902 401 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 401 A C 2.426 179.602 177.584 -0.680 0.000 1.181 401 A CA 2.158 53.916 52.037 -0.464 0.000 0.623 401 A CB -0.824 17.948 19.000 -0.380 0.000 0.818 401 A HN 0.586 nan 8.150 nan 0.000 0.443 402 A N -0.128 122.462 122.820 -0.383 0.000 1.902 402 A HA 0.135 4.454 4.320 -0.000 0.000 0.217 402 A C 2.514 179.999 177.584 -0.165 0.000 1.181 402 A CA 2.200 54.098 52.037 -0.232 0.000 0.623 402 A CB -1.038 17.895 19.000 -0.113 0.000 0.818 402 A HN 1.081 nan 8.150 nan 0.000 0.443 403 A N -0.275 122.447 122.820 -0.163 0.000 1.933 403 A HA 0.183 4.503 4.320 -0.000 0.000 0.218 403 A C 2.490 180.017 177.584 -0.095 0.000 1.175 403 A CA 2.046 54.017 52.037 -0.111 0.000 0.628 403 A CB -0.945 17.984 19.000 -0.117 0.000 0.814 403 A HN 1.029 nan 8.150 nan 0.000 0.444 404 A N -0.621 122.112 122.820 -0.144 0.000 1.898 404 A HA -0.153 4.166 4.320 -0.000 0.000 0.216 404 A C 1.896 179.488 177.584 0.013 0.000 1.181 404 A CA 1.581 53.569 52.037 -0.080 0.000 0.620 404 A CB -1.036 17.916 19.000 -0.081 0.000 0.819 404 A HN 0.757 nan 8.150 nan 0.000 0.442 405 H N -0.579 118.466 119.070 -0.041 0.000 2.352 405 H HA -0.067 4.488 4.556 -0.000 0.000 0.299 405 H C 2.449 177.757 175.328 -0.033 0.000 1.097 405 H CA 0.769 56.795 56.048 -0.037 0.000 1.311 405 H CB -0.029 29.714 29.762 -0.032 0.000 1.377 405 H HN 0.558 nan 8.280 nan 0.000 0.504 406 A N 0.971 123.845 122.820 0.089 0.000 2.076 406 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 406 A C 1.808 179.401 177.584 0.016 0.000 1.160 406 A CA 1.307 53.366 52.037 0.037 0.000 0.653 406 A CB -0.137 18.868 19.000 0.009 0.000 0.801 406 A HN 0.500 nan 8.150 nan 0.000 0.455 407 Q N -1.288 118.517 119.800 0.007 0.000 2.201 407 Q HA 0.311 4.651 4.340 -0.000 0.000 0.217 407 Q C 0.744 176.736 176.000 -0.013 0.000 0.860 407 Q CA 0.208 56.006 55.803 -0.008 0.000 0.984 407 Q CB 0.220 28.946 28.738 -0.020 0.000 1.095 407 Q HN 0.813 nan 8.270 nan 0.000 0.477 408 G N 1.874 110.675 108.800 0.002 0.000 2.176 408 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.252 408 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.252 408 G C -0.433 174.446 174.900 -0.036 0.000 1.024 408 G CA 0.096 45.189 45.100 -0.011 0.000 0.755 408 G HN 0.331 nan 8.290 nan 0.000 0.507 409 L N 0.724 121.932 121.223 -0.025 0.000 2.298 409 L HA 0.706 5.046 4.340 -0.000 0.000 0.284 409 L C 0.205 177.103 176.870 0.046 0.000 1.013 409 L CA -0.939 53.854 54.840 -0.078 0.000 0.824 409 L CB 2.033 43.992 42.059 -0.168 0.000 1.221 409 L HN 0.033 nan 8.230 nan 0.000 0.418 410 V N 6.610 126.535 119.914 0.020 0.000 2.338 410 V HA 0.327 4.447 4.120 -0.000 0.000 0.255 410 V C -0.126 176.067 176.094 0.165 0.000 1.082 410 V CA -0.282 62.052 62.300 0.056 0.000 0.951 410 V CB 0.609 32.429 31.823 -0.005 0.000 1.102 410 V HN 0.577 nan 8.190 nan 0.000 0.489 411 V N 4.084 124.153 119.914 0.257 0.000 2.680 411 V HA 0.698 4.817 4.120 -0.000 0.000 0.309 411 V C -0.496 175.699 176.094 0.169 0.000 1.052 411 V CA -0.882 61.553 62.300 0.225 0.000 0.908 411 V CB 1.960 33.915 31.823 0.221 0.000 1.001 411 V HN 0.499 nan 8.190 nan 0.000 0.431 412 L N 3.259 124.489 121.223 0.012 0.000 2.334 412 L HA 0.851 5.191 4.340 -0.000 0.000 0.270 412 L C 0.567 177.343 176.870 -0.157 0.000 1.018 412 L CA -0.414 54.402 54.840 -0.041 0.000 0.811 412 L CB 2.337 44.357 42.059 -0.066 0.000 1.271 412 L HN 0.991 nan 8.230 nan 0.000 0.443 413 T N -2.162 112.316 114.554 -0.127 0.000 2.942 413 T HA 0.774 5.124 4.350 -0.000 0.000 0.289 413 T C -0.279 174.325 174.700 -0.160 0.000 1.044 413 T CA -0.667 61.336 62.100 -0.161 0.000 1.023 413 T CB 1.946 70.753 68.868 -0.101 0.000 1.123 413 T HN 0.965 nan 8.240 nan 0.000 0.512 414 C N -1.711 117.490 119.300 -0.164 0.000 3.254 414 C HA 1.020 5.480 4.460 -0.000 0.000 0.374 414 C C 0.153 175.104 174.990 -0.066 0.000 1.710 414 C CA -0.257 58.691 59.018 -0.116 0.000 1.149 414 C CB 0.558 28.199 27.740 -0.166 0.000 2.019 414 C HN 2.310 nan 8.230 nan 0.000 0.427 415 G N -0.089 108.700 108.800 -0.018 0.000 3.014 415 G HA2 0.346 4.306 3.960 -0.000 0.000 0.683 415 G HA3 0.346 4.306 3.960 -0.000 0.000 0.683 415 G C -0.132 174.804 174.900 0.060 0.000 1.271 415 G CA 0.233 45.361 45.100 0.046 0.000 0.843 415 G HN 1.504 nan 8.290 nan 0.000 0.612 416 T N 1.215 115.814 114.554 0.074 0.000 2.685 416 T HA -0.224 4.126 4.350 -0.000 0.000 0.268 416 T C 1.740 176.295 174.700 -0.242 0.000 1.034 416 T CA 2.781 64.834 62.100 -0.079 0.000 1.149 416 T CB -0.223 68.609 68.868 -0.061 0.000 0.860 416 T HN 0.550 nan 8.240 nan 0.000 0.449 417 Y N -0.007 120.370 120.300 0.129 0.000 2.457 417 Y HA 0.426 4.976 4.550 -0.001 0.000 0.263 417 Y C 1.818 177.745 175.900 0.045 0.000 1.164 417 Y CA -0.192 57.960 58.100 0.087 0.000 1.274 417 Y CB 0.006 38.530 38.460 0.107 0.000 1.097 417 Y HN 0.294 nan 8.280 nan 0.000 0.523 418 G N 1.538 110.412 108.800 0.122 0.000 2.143 418 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.248 418 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.248 418 G C 0.348 175.275 174.900 0.044 0.000 0.991 418 G CA 0.471 45.601 45.100 0.051 0.000 0.689 418 G HN 0.516 nan 8.290 nan 0.000 0.522 419 N N -0.590 118.158 118.700 0.080 0.000 2.416 419 N HA 0.346 5.086 4.740 -0.000 0.000 0.267 419 N C -0.371 175.152 175.510 0.022 0.000 1.294 419 N CA 0.031 53.115 53.050 0.057 0.000 0.891 419 N CB 0.906 39.451 38.487 0.097 0.000 1.238 419 N HN 0.282 nan 8.380 nan 0.000 0.508 420 V N 1.070 120.965 119.914 -0.032 0.000 2.540 420 V HA 0.433 4.553 4.120 -0.000 0.000 0.302 420 V C -0.209 175.767 176.094 -0.196 0.000 1.035 420 V CA -0.794 61.443 62.300 -0.105 0.000 0.873 420 V CB 2.545 34.285 31.823 -0.138 0.000 0.992 420 V HN 0.197 nan 8.190 nan 0.000 0.428 421 L N 6.032 127.116 121.223 -0.233 0.000 2.272 421 L HA 0.646 4.985 4.340 -0.000 0.000 0.289 421 L C 0.207 176.580 176.870 -0.828 0.000 1.032 421 L CA -0.474 54.127 54.840 -0.399 0.000 0.810 421 L CB 1.320 43.262 42.059 -0.196 0.000 1.205 421 L HN 0.757 nan 8.230 nan 0.000 0.422 422 R N 2.516 122.441 120.500 -0.958 0.000 2.732 422 R HA 0.708 5.047 4.340 -0.000 0.000 0.278 422 R C -1.654 174.023 176.300 -1.037 0.000 0.976 422 R CA -0.684 54.744 56.100 -1.120 0.000 0.963 422 R CB 1.492 30.987 30.300 -1.341 0.000 1.150 422 R HN 0.168 nan 8.270 nan 0.000 0.478 423 F N 2.177 122.124 119.950 -0.005 0.000 2.496 423 F HA 0.407 4.933 4.527 -0.000 0.000 0.341 423 F C -0.410 175.426 175.800 0.061 0.000 1.134 423 F CA -0.952 57.067 58.000 0.031 0.000 0.968 423 F CB 1.732 40.715 39.000 -0.027 0.000 1.205 423 F HN 0.285 nan 8.300 nan 0.000 0.436 424 L N 5.745 127.064 121.223 0.160 0.000 2.784 424 L HA 0.336 4.676 4.340 -0.000 0.000 0.241 424 L C -2.393 174.490 176.870 0.022 0.000 1.352 424 L CA -1.756 53.149 54.840 0.108 0.000 0.911 424 L CB 0.621 42.766 42.059 0.142 0.000 1.227 424 L HN 0.248 nan 8.230 nan 0.000 0.501 425 P HA 0.126 nan 4.420 nan 0.000 0.269 425 P C -2.530 174.739 177.300 -0.052 0.000 1.209 425 P CA -1.110 61.912 63.100 -0.130 0.000 0.776 425 P CB -0.054 31.436 31.700 -0.349 0.000 0.876 426 P HA 0.128 nan 4.420 nan 0.000 0.272 426 P C 1.084 178.364 177.300 -0.033 0.000 1.223 426 P CA -0.091 63.000 63.100 -0.016 0.000 0.784 426 P CB 0.876 32.576 31.700 0.000 0.000 0.923 427 L N 1.525 122.729 121.223 -0.033 0.000 2.275 427 L HA -0.125 4.215 4.340 -0.000 0.000 0.215 427 L C 2.228 179.082 176.870 -0.028 0.000 1.119 427 L CA 1.627 56.445 54.840 -0.037 0.000 0.790 427 L CB -0.909 41.129 42.059 -0.036 0.000 0.919 427 L HN 0.445 nan 8.230 nan 0.000 0.443 428 S N -0.721 114.967 115.700 -0.020 0.000 2.603 428 S HA -0.049 4.421 4.470 -0.000 0.000 0.229 428 S C 0.856 175.450 174.600 -0.010 0.000 0.972 428 S CA -0.218 57.974 58.200 -0.013 0.000 0.935 428 S CB -0.502 62.692 63.200 -0.010 0.000 0.769 428 S HN 0.289 nan 8.310 nan 0.000 0.536 429 M N 3.335 122.927 119.600 -0.015 0.000 2.269 429 M HA 0.301 4.780 4.480 -0.000 0.000 0.350 429 M C -2.832 173.449 176.300 -0.031 0.000 1.429 429 M CA -1.806 53.485 55.300 -0.014 0.000 1.063 429 M CB -0.005 32.589 32.600 -0.010 0.000 1.841 429 M HN -0.098 nan 8.290 nan 0.000 0.455 430 P HA 0.166 nan 4.420 nan 0.000 0.274 430 P C -0.268 176.983 177.300 -0.082 0.000 1.231 430 P CA -0.261 62.803 63.100 -0.060 0.000 0.790 430 P CB 0.633 32.283 31.700 -0.083 0.000 0.951 431 D N 0.297 120.699 120.400 0.004 0.000 2.116 431 D HA -0.224 4.416 4.640 -0.000 0.000 0.193 431 D C 1.686 177.999 176.300 0.022 0.000 0.998 431 D CA 1.647 55.659 54.000 0.021 0.000 0.836 431 D CB -0.673 40.159 40.800 0.054 0.000 0.951 431 D HN 0.630 nan 8.370 nan 0.000 0.449 432 H N 0.148 119.233 119.070 0.025 0.000 2.457 432 H HA 0.015 4.571 4.556 -0.000 0.000 0.294 432 H C 2.114 177.465 175.328 0.038 0.000 1.064 432 H CA 0.633 56.696 56.048 0.025 0.000 1.330 432 H CB -0.532 29.240 29.762 0.016 0.000 1.395 432 H HN 0.201 nan 8.280 nan 0.000 0.541 433 L N -0.016 120.919 121.223 -0.480 0.000 2.249 433 L HA -0.045 4.294 4.340 -0.000 0.000 0.207 433 L C 2.672 179.545 176.870 0.006 0.000 1.090 433 L CA 0.277 54.966 54.840 -0.251 0.000 0.802 433 L CB -0.184 41.708 42.059 -0.279 0.000 0.947 433 L HN 0.177 nan 8.230 nan 0.000 0.453 434 L N 0.353 121.606 121.223 0.051 0.000 2.017 434 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 434 L C 2.030 178.998 176.870 0.162 0.000 1.073 434 L CA 1.975 56.923 54.840 0.181 0.000 0.745 434 L CB -0.583 41.498 42.059 0.036 0.000 0.894 434 L HN 0.175 nan 8.230 nan 0.000 0.432 435 D N -0.418 120.022 120.400 0.066 0.000 2.104 435 D HA -0.252 4.387 4.640 -0.000 0.000 0.194 435 D C 2.093 178.418 176.300 0.041 0.000 0.994 435 D CA 1.654 55.684 54.000 0.050 0.000 0.830 435 D CB -0.125 40.703 40.800 0.046 0.000 0.959 435 D HN 0.566 nan 8.370 nan 0.000 0.452 436 E N 0.122 120.339 120.200 0.029 0.000 2.110 436 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 436 E C 2.130 178.698 176.600 -0.053 0.000 0.988 436 E CA 1.134 57.533 56.400 -0.000 0.000 0.804 436 E CB -0.220 29.482 29.700 0.003 0.000 0.745 436 E HN 0.271 nan 8.360 nan 0.000 0.458 437 G N 1.136 109.882 108.800 -0.090 0.000 2.418 437 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 437 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 437 G C 1.561 176.366 174.900 -0.159 0.000 1.158 437 G CA 0.645 45.543 45.100 -0.338 0.000 0.771 437 G HN 0.198 nan 8.290 nan 0.000 0.545 438 L N 0.387 121.635 121.223 0.041 0.000 2.093 438 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 438 L C 2.470 179.336 176.870 -0.007 0.000 1.085 438 L CA 0.942 55.797 54.840 0.024 0.000 0.755 438 L CB -0.339 41.732 42.059 0.019 0.000 0.904 438 L HN 0.067 nan 8.230 nan 0.000 0.435 439 D N 0.407 120.803 120.400 -0.007 0.000 2.123 439 D HA -0.172 4.468 4.640 -0.000 0.000 0.196 439 D C 2.265 178.563 176.300 -0.003 0.000 0.992 439 D CA 1.320 55.317 54.000 -0.004 0.000 0.833 439 D CB -0.100 40.699 40.800 -0.001 0.000 0.954 439 D HN 0.294 nan 8.370 nan 0.000 0.455 440 I N 0.390 120.945 120.570 -0.026 0.000 2.179 440 I HA -0.237 3.932 4.170 -0.000 0.000 0.242 440 I C 2.454 178.579 176.117 0.015 0.000 1.088 440 I CA 0.608 61.893 61.300 -0.026 0.000 1.357 440 I CB -0.117 37.839 38.000 -0.073 0.000 1.051 440 I HN -0.008 nan 8.210 nan 0.000 0.409 441 L N 0.418 121.660 121.223 0.032 0.000 2.012 441 L HA -0.271 4.069 4.340 -0.000 0.000 0.210 441 L C 2.842 179.850 176.870 0.231 0.000 1.073 441 L CA 1.599 56.528 54.840 0.148 0.000 0.748 441 L CB -0.660 41.480 42.059 0.135 0.000 0.891 441 L HN 0.277 nan 8.230 nan 0.000 0.431 442 A N -0.277 122.610 122.820 0.111 0.000 1.908 442 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 442 A C 2.502 180.158 177.584 0.120 0.000 1.181 442 A CA 1.868 53.962 52.037 0.097 0.000 0.627 442 A CB -0.799 18.214 19.000 0.022 0.000 0.818 442 A HN 0.451 nan 8.150 nan 0.000 0.445 443 A N -0.609 122.256 122.820 0.075 0.000 1.883 443 A HA -0.046 4.273 4.320 -0.000 0.000 0.217 443 A C 2.253 179.871 177.584 0.057 0.000 1.186 443 A CA 1.936 54.004 52.037 0.051 0.000 0.624 443 A CB -1.018 17.995 19.000 0.022 0.000 0.822 443 A HN 0.424 nan 8.150 nan 0.000 0.444 444 V N -1.444 118.506 119.914 0.060 0.000 2.343 444 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 444 V C 2.289 178.369 176.094 -0.024 0.000 1.051 444 V CA 2.057 64.352 62.300 -0.007 0.000 1.036 444 V CB -0.941 30.848 31.823 -0.057 0.000 0.654 444 V HN 0.578 nan 8.190 nan 0.000 0.451 445 F N 0.430 120.376 119.950 -0.007 0.000 2.293 445 F HA -0.075 4.452 4.527 -0.000 0.000 0.300 445 F C 2.312 178.109 175.800 -0.005 0.000 1.086 445 F CA 1.136 59.134 58.000 -0.003 0.000 1.375 445 F CB -0.449 38.553 39.000 0.003 0.000 1.045 445 F HN 0.105 nan 8.300 nan 0.000 0.516 446 A N -0.624 122.288 122.820 0.153 0.000 1.970 446 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 446 A C 2.180 179.788 177.584 0.040 0.000 1.170 446 A CA 1.402 53.489 52.037 0.084 0.000 0.645 446 A CB -0.558 18.479 19.000 0.061 0.000 0.816 446 A HN 0.403 nan 8.150 nan 0.000 0.447 447 E N -0.176 120.034 120.200 0.018 0.000 2.072 447 E HA -0.013 4.337 4.350 -0.000 0.000 0.190 447 E C 0.393 176.978 176.600 -0.025 0.000 0.982 447 E CA 0.674 57.069 56.400 -0.009 0.000 0.803 447 E CB 0.034 29.720 29.700 -0.024 0.000 0.755 447 E HN 0.322 nan 8.360 nan 0.000 0.453 448 V N 0.000 119.885 119.914 -0.049 0.000 2.409 448 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 448 V CA 0.000 62.256 62.300 -0.073 0.000 1.235 448 V CB 0.000 31.732 31.823 -0.151 0.000 1.184 448 V HN 0.000 nan 8.190 nan 0.000 0.556