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 1de5_1_C DATA FIRST_RESID 11 DATA SEQUENCE TQLEQAWELA KQRFAAVGID VEEALRQLDR LPVSMHCWQG DDVSGFENPE DATA SEQUENCE GSLTGGIQAT GNYPGKARNA SELRADLEQA MRLIPGPKRL NLHAIYLESD DATA SEQUENCE TPVSRDQIKP EHFKNWVEWA KANQLGLDFN PSCFSHPLSA DGFTLSHADD DATA SEQUENCE SIRQFWIDHC KASRRVSAYF GEQLGTPSVM NIWIPDGMKD ITVDRLAPRQ DATA SEQUENCE RLLAALDEVI SEKLNPAHHI DAVESKLFGI GAESYTVGSN EFYMGYATSR DATA SEQUENCE QTALCLDAGH FHPTEVISDK ISAAMLYVPQ LLLHVSRPVR WDSDHVVLLD DATA SEQUENCE DETQAIASEI VRHDLFDRVH IGLDFFDASI NRIAAWVIGT RNMKKALLRA DATA SEQUENCE LLEPTAELRK LEAPGDYTAR LALLEEQKSL PWQAVWEMYC QRHDTPAGSE DATA SEQUENCE WLESVRAYEK EILSRR 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 0.000 174.724 174.700 0.040 0.000 1.109 11 T CA 0.000 62.115 62.100 0.024 0.000 1.349 11 T CB 0.000 68.881 68.868 0.022 0.000 0.612 12 Q N 0.796 120.616 119.800 0.034 0.000 2.082 12 Q HA -0.157 4.182 4.340 -0.001 0.000 0.211 12 Q C 2.193 178.229 176.000 0.061 0.000 1.002 12 Q CA 2.295 58.122 55.803 0.041 0.000 0.868 12 Q CB -0.278 28.478 28.738 0.030 0.000 0.931 12 Q HN 0.502 nan 8.270 nan 0.000 0.414 13 L N 0.314 121.569 121.223 0.054 0.000 2.012 13 L HA -0.251 4.088 4.340 -0.001 0.000 0.210 13 L C 2.369 179.318 176.870 0.132 0.000 1.073 13 L CA 1.885 56.768 54.840 0.072 0.000 0.748 13 L CB -0.229 41.841 42.059 0.018 0.000 0.891 13 L HN 0.258 nan 8.230 nan 0.000 0.431 14 E N -0.228 120.031 120.200 0.099 0.000 2.051 14 E HA -0.269 4.080 4.350 -0.001 0.000 0.192 14 E C 2.118 178.853 176.600 0.225 0.000 0.991 14 E CA 1.767 58.261 56.400 0.158 0.000 0.799 14 E CB -0.153 29.598 29.700 0.085 0.000 0.748 14 E HN 0.548 nan 8.360 nan 0.000 0.449 15 Q N -0.172 119.710 119.800 0.138 0.000 1.993 15 Q HA -0.157 4.183 4.340 -0.001 0.000 0.202 15 Q C 2.310 178.386 176.000 0.126 0.000 0.984 15 Q CA 1.609 57.479 55.803 0.113 0.000 0.837 15 Q CB -0.412 28.368 28.738 0.070 0.000 0.902 15 Q HN 0.404 nan 8.270 nan 0.000 0.423 16 A N 1.508 124.404 122.820 0.126 0.000 1.927 16 A HA -0.230 4.090 4.320 -0.001 0.000 0.220 16 A C 1.792 179.487 177.584 0.186 0.000 1.185 16 A CA 1.618 53.730 52.037 0.124 0.000 0.639 16 A CB -1.344 17.723 19.000 0.111 0.000 0.820 16 A HN 0.792 nan 8.150 nan 0.000 0.451 17 W N 0.752 122.079 121.300 0.046 0.000 2.381 17 W HA -0.149 4.510 4.660 -0.001 0.000 0.301 17 W C 1.611 178.171 176.519 0.069 0.000 1.205 17 W CA 1.750 59.133 57.345 0.063 0.000 1.285 17 W CB -0.295 29.194 29.460 0.047 0.000 1.133 17 W HN 0.544 nan 8.180 nan 0.000 0.521 18 E N 0.829 121.039 120.200 0.016 0.000 2.072 18 E HA -0.208 4.142 4.350 -0.001 0.000 0.191 18 E C 2.335 178.841 176.600 -0.157 0.000 0.985 18 E CA 1.718 58.017 56.400 -0.168 0.000 0.801 18 E CB -0.538 29.182 29.700 0.034 0.000 0.750 18 E HN 0.299 nan 8.360 nan 0.000 0.452 19 L N 0.646 121.838 121.223 -0.052 0.000 2.012 19 L HA -0.206 4.133 4.340 -0.001 0.000 0.210 19 L C 2.593 179.423 176.870 -0.067 0.000 1.073 19 L CA 1.239 56.052 54.840 -0.044 0.000 0.748 19 L CB -0.535 41.517 42.059 -0.011 0.000 0.891 19 L HN 0.132 nan 8.230 nan 0.000 0.431 20 A N -0.108 122.679 122.820 -0.055 0.000 1.933 20 A HA -0.247 4.073 4.320 -0.001 0.000 0.218 20 A C 2.403 179.993 177.584 0.011 0.000 1.175 20 A CA 1.902 53.952 52.037 0.021 0.000 0.628 20 A CB -0.469 18.611 19.000 0.134 0.000 0.814 20 A HN 0.344 nan 8.150 nan 0.000 0.444 21 K N -0.360 119.862 120.400 -0.296 0.000 2.020 21 K HA -0.247 4.072 4.320 -0.001 0.000 0.212 21 K C 2.312 178.847 176.600 -0.109 0.000 1.050 21 K CA 1.941 58.017 56.287 -0.350 0.000 0.929 21 K CB -0.229 31.926 32.500 -0.575 0.000 0.714 21 K HN 0.683 nan 8.250 nan 0.000 0.443 22 Q N -0.071 119.666 119.800 -0.105 0.000 1.975 22 Q HA -0.177 4.162 4.340 -0.001 0.000 0.205 22 Q C 2.226 178.204 176.000 -0.038 0.000 0.990 22 Q CA 1.176 56.945 55.803 -0.057 0.000 0.845 22 Q CB -0.252 28.451 28.738 -0.059 0.000 0.913 22 Q HN 0.217 nan 8.270 nan 0.000 0.420 23 R N 0.260 120.719 120.500 -0.068 0.000 2.162 23 R HA -0.191 4.149 4.340 -0.001 0.000 0.245 23 R C 2.117 178.326 176.300 -0.151 0.000 1.129 23 R CA 1.690 57.705 56.100 -0.142 0.000 0.940 23 R CB -1.013 29.135 30.300 -0.253 0.000 0.875 23 R HN 0.307 nan 8.270 nan 0.000 0.437 24 F N 0.271 120.190 119.950 -0.051 0.000 2.367 24 F HA -0.017 4.509 4.527 -0.001 0.000 0.298 24 F C 2.534 178.311 175.800 -0.038 0.000 1.094 24 F CA 0.748 58.729 58.000 -0.032 0.000 1.409 24 F CB -0.361 38.618 39.000 -0.034 0.000 1.064 24 F HN 0.098 nan 8.300 nan 0.000 0.528 25 A N 0.372 123.272 122.820 0.133 0.000 1.892 25 A HA -0.214 4.105 4.320 -0.001 0.000 0.218 25 A C 2.388 179.996 177.584 0.040 0.000 1.188 25 A CA 1.849 53.923 52.037 0.061 0.000 0.631 25 A CB -1.355 17.653 19.000 0.013 0.000 0.822 25 A HN 0.305 nan 8.150 nan 0.000 0.447 26 A N -0.609 122.219 122.820 0.013 0.000 2.139 26 A HA 0.033 4.353 4.320 -0.001 0.000 0.221 26 A C 1.841 179.427 177.584 0.004 0.000 1.159 26 A CA 1.806 53.840 52.037 -0.005 0.000 0.662 26 A CB -0.772 18.211 19.000 -0.029 0.000 0.796 26 A HN 1.360 nan 8.150 nan 0.000 0.463 27 V N -2.852 117.078 119.914 0.027 0.000 3.043 27 V HA 0.560 4.679 4.120 -0.001 0.000 0.357 27 V C 0.886 177.017 176.094 0.063 0.000 1.372 27 V CA 0.731 63.052 62.300 0.036 0.000 1.214 27 V CB -0.928 30.904 31.823 0.015 0.000 1.224 27 V HN 1.471 nan 8.190 nan 0.000 0.507 28 G N 1.562 110.394 108.800 0.054 0.000 2.179 28 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.257 28 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.257 28 G C -0.102 174.838 174.900 0.066 0.000 1.010 28 G CA 0.592 45.721 45.100 0.048 0.000 0.736 28 G HN 0.579 nan 8.290 nan 0.000 0.513 29 I N 0.916 121.553 120.570 0.113 0.000 2.362 29 I HA 0.300 4.469 4.170 -0.001 0.000 0.289 29 I C -0.510 175.641 176.117 0.056 0.000 0.994 29 I CA -1.046 60.320 61.300 0.110 0.000 1.158 29 I CB 1.617 39.752 38.000 0.224 0.000 1.315 29 I HN 0.063 nan 8.210 nan 0.000 0.451 30 D N 6.305 126.704 120.400 -0.001 0.000 2.380 30 D HA 0.141 4.780 4.640 -0.001 0.000 0.230 30 D C 1.208 177.478 176.300 -0.049 0.000 1.154 30 D CA -0.373 53.618 54.000 -0.014 0.000 0.859 30 D CB 1.422 42.224 40.800 0.004 0.000 1.045 30 D HN 0.376 nan 8.370 nan 0.000 0.495 31 V N 2.516 122.376 119.914 -0.090 0.000 2.343 31 V HA -0.154 3.965 4.120 -0.001 0.000 0.247 31 V C 1.743 177.917 176.094 0.133 0.000 1.051 31 V CA 1.129 63.379 62.300 -0.084 0.000 1.036 31 V CB -0.477 31.181 31.823 -0.276 0.000 0.654 31 V HN 0.406 nan 8.190 nan 0.000 0.451 32 E N 0.502 120.809 120.200 0.180 0.000 2.077 32 E HA -0.249 4.100 4.350 -0.001 0.000 0.193 32 E C 2.206 178.887 176.600 0.135 0.000 0.989 32 E CA 1.714 58.256 56.400 0.236 0.000 0.800 32 E CB -0.236 29.587 29.700 0.205 0.000 0.746 32 E HN 0.709 nan 8.360 nan 0.000 0.452 33 E N 1.023 121.268 120.200 0.074 0.000 2.150 33 E HA -0.088 4.261 4.350 -0.001 0.000 0.193 33 E C 1.843 178.470 176.600 0.044 0.000 0.985 33 E CA 1.141 57.568 56.400 0.044 0.000 0.814 33 E CB -0.257 29.452 29.700 0.016 0.000 0.752 33 E HN 0.229 nan 8.360 nan 0.000 0.466 34 A N 0.539 123.380 122.820 0.036 0.000 1.865 34 A HA -0.178 4.142 4.320 -0.001 0.000 0.217 34 A C 2.277 179.890 177.584 0.048 0.000 1.191 34 A CA 1.672 53.720 52.037 0.017 0.000 0.623 34 A CB -0.872 18.108 19.000 -0.034 0.000 0.826 34 A HN 0.325 nan 8.150 nan 0.000 0.444 35 L N -1.218 120.076 121.223 0.120 0.000 2.042 35 L HA -0.221 4.118 4.340 -0.001 0.000 0.210 35 L C 2.810 179.801 176.870 0.202 0.000 1.076 35 L CA 1.744 56.697 54.840 0.188 0.000 0.749 35 L CB -0.666 41.595 42.059 0.337 0.000 0.893 35 L HN 0.335 nan 8.230 nan 0.000 0.432 36 R N -0.290 120.300 120.500 0.149 0.000 2.120 36 R HA -0.146 4.193 4.340 -0.001 0.000 0.234 36 R C 2.402 178.766 176.300 0.106 0.000 1.123 36 R CA 1.051 57.224 56.100 0.121 0.000 0.975 36 R CB -0.162 30.175 30.300 0.062 0.000 0.866 36 R HN 0.479 nan 8.270 nan 0.000 0.446 37 Q N 0.219 120.072 119.800 0.088 0.000 2.187 37 Q HA -0.094 4.245 4.340 -0.001 0.000 0.199 37 Q C 2.105 178.219 176.000 0.190 0.000 0.957 37 Q CA 0.701 56.577 55.803 0.121 0.000 0.857 37 Q CB -0.092 28.719 28.738 0.121 0.000 0.929 37 Q HN 0.203 nan 8.270 nan 0.000 0.453 38 L N 1.781 123.049 121.223 0.075 0.000 2.131 38 L HA -0.151 4.188 4.340 -0.001 0.000 0.210 38 L C 1.254 178.197 176.870 0.121 0.000 1.092 38 L CA 1.771 56.589 54.840 -0.036 0.000 0.759 38 L CB -0.468 41.317 42.059 -0.457 0.000 0.903 38 L HN 0.026 nan 8.230 nan 0.000 0.435 39 D N -0.356 120.197 120.400 0.255 0.000 2.350 39 D HA -0.105 4.535 4.640 -0.001 0.000 0.216 39 D C 1.655 178.065 176.300 0.184 0.000 0.968 39 D CA 0.746 54.917 54.000 0.284 0.000 0.894 39 D CB 0.020 40.988 40.800 0.280 0.000 0.909 39 D HN 0.444 nan 8.370 nan 0.000 0.520 40 R N -0.361 120.253 120.500 0.190 0.000 2.427 40 R HA 0.285 4.624 4.340 -0.001 0.000 0.262 40 R C 0.142 176.576 176.300 0.223 0.000 0.943 40 R CA -0.030 56.192 56.100 0.203 0.000 1.081 40 R CB 0.678 31.129 30.300 0.253 0.000 1.166 40 R HN 0.014 nan 8.270 nan 0.000 0.534 41 L N 2.561 123.869 121.223 0.142 0.000 2.457 41 L HA 0.386 4.726 4.340 -0.001 0.000 0.252 41 L C -2.426 174.458 176.870 0.024 0.000 1.132 41 L CA -2.118 52.747 54.840 0.041 0.000 0.938 41 L CB 1.377 43.406 42.059 -0.050 0.000 1.246 41 L HN -0.202 nan 8.230 nan 0.000 0.476 42 P HA 0.115 nan 4.420 nan 0.000 0.271 42 P C -0.478 176.824 177.300 0.002 0.000 1.216 42 P CA -0.113 62.997 63.100 0.017 0.000 0.776 42 P CB 1.476 33.189 31.700 0.022 0.000 0.881 43 V N 2.290 122.200 119.914 -0.007 0.000 2.370 43 V HA 0.209 4.328 4.120 -0.001 0.000 0.283 43 V C 0.766 176.848 176.094 -0.020 0.000 1.023 43 V CA -0.436 61.859 62.300 -0.008 0.000 0.857 43 V CB 1.325 33.146 31.823 -0.003 0.000 0.985 43 V HN 0.575 nan 8.190 nan 0.000 0.443 44 S N 7.089 122.788 115.700 -0.002 0.000 2.414 44 S HA 0.390 4.859 4.470 -0.001 0.000 0.290 44 S C 0.079 174.644 174.600 -0.060 0.000 1.160 44 S CA -0.594 57.595 58.200 -0.018 0.000 1.069 44 S CB -0.354 62.864 63.200 0.030 0.000 1.012 44 S HN 0.595 nan 8.310 nan 0.000 0.510 45 M N 6.876 126.400 119.600 -0.128 0.000 2.188 45 M HA 0.203 4.682 4.480 -0.001 0.000 0.354 45 M C 0.497 176.647 176.300 -0.251 0.000 1.342 45 M CA -0.588 54.595 55.300 -0.195 0.000 1.117 45 M CB 0.323 32.655 32.600 -0.447 0.000 1.670 45 M HN 0.639 nan 8.290 nan 0.000 0.466 46 H N 2.306 121.066 119.070 -0.518 0.000 2.803 46 H HA 0.085 4.641 4.556 -0.001 0.000 0.330 46 H C 0.959 175.956 175.328 -0.552 0.000 1.057 46 H CA -1.019 54.451 56.048 -0.963 0.000 1.458 46 H CB 0.269 28.834 29.762 -1.994 0.000 1.470 46 H HN 1.039 nan 8.280 nan 0.000 0.560 47 C N 2.444 121.447 119.300 -0.495 0.000 2.450 47 C HA -0.057 4.402 4.460 -0.001 0.000 0.279 47 C C 2.405 177.306 174.990 -0.148 0.000 1.335 47 C CA -0.003 58.877 59.018 -0.229 0.000 1.749 47 C CB -1.928 25.548 27.740 -0.441 0.000 1.963 47 C HN 0.988 nan 8.230 nan 0.000 0.501 48 W N 2.365 123.539 121.300 -0.209 0.000 2.424 48 W HA -0.067 4.592 4.660 -0.001 0.000 0.264 48 W C 2.087 178.554 176.519 -0.087 0.000 1.229 48 W CA 1.026 58.331 57.345 -0.067 0.000 1.208 48 W CB -1.019 28.473 29.460 0.052 0.000 1.127 48 W HN 0.393 nan 8.180 nan 0.000 0.588 49 Q N 1.810 121.338 119.800 -0.453 0.000 2.291 49 Q HA 0.042 4.381 4.340 -0.001 0.000 0.205 49 Q C 2.206 177.795 176.000 -0.686 0.000 0.970 49 Q CA 2.212 57.638 55.803 -0.628 0.000 0.876 49 Q CB -0.801 27.142 28.738 -1.324 0.000 0.935 49 Q HN 0.346 nan 8.270 nan 0.000 0.455 50 G N 0.522 108.986 108.800 -0.560 0.000 2.422 50 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.218 50 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.218 50 G C 0.490 175.406 174.900 0.027 0.000 1.140 50 G CA 0.920 45.861 45.100 -0.265 0.000 0.775 50 G HN 0.627 nan 8.290 nan 0.000 0.545 51 D N -0.836 119.638 120.400 0.124 0.000 2.740 51 D HA 0.132 4.772 4.640 -0.001 0.000 0.301 51 D C -0.324 176.053 176.300 0.128 0.000 1.408 51 D CA -0.416 53.683 54.000 0.165 0.000 0.808 51 D CB -0.343 40.606 40.800 0.248 0.000 1.128 51 D HN 0.054 nan 8.370 nan 0.000 0.465 52 D N 0.561 121.018 120.400 0.094 0.000 2.837 52 D HA -0.182 4.458 4.640 -0.001 0.000 0.230 52 D C 0.797 177.098 176.300 0.002 0.000 1.152 52 D CA 0.993 55.037 54.000 0.073 0.000 0.736 52 D CB -1.607 39.240 40.800 0.077 0.000 1.084 52 D HN 0.366 nan 8.370 nan 0.000 0.429 53 V N -2.625 117.337 119.914 0.080 0.000 4.591 53 V HA -0.362 3.758 4.120 -0.001 0.000 0.261 53 V C 1.938 178.031 176.094 -0.002 0.000 0.425 53 V CA 1.653 63.974 62.300 0.035 0.000 0.826 53 V CB -2.506 29.094 31.823 -0.373 0.000 0.812 53 V HN 0.389 nan 8.190 nan 0.000 1.340 54 S N -0.503 115.196 115.700 -0.002 0.000 2.377 54 S HA 0.417 4.886 4.470 -0.001 0.000 0.223 54 S C 1.420 175.849 174.600 -0.284 0.000 1.030 54 S CA 1.350 59.499 58.200 -0.086 0.000 0.970 54 S CB 0.301 63.495 63.200 -0.009 0.000 0.830 54 S HN 2.374 nan 8.310 nan 0.000 0.473 55 G N 0.983 109.413 108.800 -0.618 0.000 2.760 55 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.246 55 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.246 55 G C -0.293 174.250 174.900 -0.595 0.000 1.359 55 G CA -0.237 44.132 45.100 -1.219 0.000 0.861 55 G HN 0.273 nan 8.290 nan 0.000 0.541 56 F N -0.019 119.775 119.950 -0.258 0.000 2.688 56 F HA 0.372 4.898 4.527 -0.001 0.000 0.310 56 F C 2.033 177.792 175.800 -0.067 0.000 1.098 56 F CA 0.186 58.136 58.000 -0.084 0.000 1.228 56 F CB 0.333 39.337 39.000 0.007 0.000 1.042 56 F HN 0.586 nan 8.300 nan 0.000 0.557 57 E N 0.718 120.935 120.200 0.029 0.000 2.028 57 E HA -0.123 4.227 4.350 -0.001 0.000 0.190 57 E C 0.303 176.909 176.600 0.009 0.000 0.984 57 E CA 0.976 57.387 56.400 0.018 0.000 0.800 57 E CB 0.116 29.806 29.700 -0.017 0.000 0.758 57 E HN 0.131 nan 8.360 nan 0.000 0.448 58 N N -0.594 118.099 118.700 -0.011 0.000 2.732 58 N HA 0.084 4.823 4.740 -0.001 0.000 0.230 58 N C -2.412 173.090 175.510 -0.012 0.000 1.487 58 N CA -1.072 51.972 53.050 -0.011 0.000 0.765 58 N CB 0.886 39.356 38.487 -0.029 0.000 1.384 58 N HN -0.172 nan 8.380 nan 0.000 0.530 59 P HA -0.160 nan 4.420 nan 0.000 0.211 59 P C -0.568 176.744 177.300 0.019 0.000 1.181 59 P CA 1.384 64.499 63.100 0.024 0.000 0.929 59 P CB 0.067 31.819 31.700 0.087 0.000 0.789 60 E N 0.085 120.300 120.200 0.025 0.000 2.081 60 E HA 0.298 4.647 4.350 -0.001 0.000 0.270 60 E C 0.870 177.475 176.600 0.007 0.000 1.180 60 E CA 0.626 57.037 56.400 0.019 0.000 0.926 60 E CB -0.297 29.413 29.700 0.017 0.000 1.035 60 E HN 0.390 nan 8.360 nan 0.000 0.418 61 G N 1.305 110.108 108.800 0.006 0.000 3.858 61 G HA2 -0.027 3.933 3.960 -0.001 0.000 0.164 61 G HA3 -0.027 3.933 3.960 -0.001 0.000 0.164 61 G C -0.156 174.748 174.900 0.006 0.000 1.116 61 G CA -0.116 44.984 45.100 -0.001 0.000 0.830 61 G HN 0.355 nan 8.290 nan 0.000 0.666 62 S N -0.443 115.266 115.700 0.015 0.000 2.777 62 S HA -0.125 4.345 4.470 -0.001 0.000 0.851 62 S C -0.403 174.221 174.600 0.040 0.000 0.780 62 S CA -0.463 57.752 58.200 0.025 0.000 1.556 62 S CB -0.996 62.218 63.200 0.022 0.000 1.114 62 S HN 0.664 nan 8.310 nan 0.000 0.404 63 L N 4.847 126.092 121.223 0.038 0.000 2.456 63 L HA 0.367 4.707 4.340 -0.001 0.000 0.277 63 L C 1.085 177.988 176.870 0.054 0.000 1.124 63 L CA 0.551 55.416 54.840 0.043 0.000 0.880 63 L CB 0.350 42.404 42.059 -0.008 0.000 1.192 63 L HN 0.873 nan 8.230 nan 0.000 0.463 64 T N -0.252 114.363 114.554 0.103 0.000 2.926 64 T HA 0.746 5.096 4.350 -0.001 0.000 0.289 64 T C 0.539 175.293 174.700 0.090 0.000 1.054 64 T CA 0.035 62.188 62.100 0.088 0.000 1.015 64 T CB 2.091 71.016 68.868 0.094 0.000 1.167 64 T HN 0.737 nan 8.240 nan 0.000 0.526 65 G N -1.007 107.821 108.800 0.047 0.000 2.159 65 G HA2 0.338 4.298 3.960 -0.001 0.000 0.170 65 G HA3 0.338 4.298 3.960 -0.001 0.000 0.170 65 G C 1.022 175.971 174.900 0.083 0.000 1.007 65 G CA 0.445 45.568 45.100 0.039 0.000 0.672 65 G HN 2.346 nan 8.290 nan 0.000 0.507 66 G N -0.696 108.125 108.800 0.036 0.000 2.157 66 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.248 66 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.248 66 G C 0.470 175.421 174.900 0.084 0.000 0.979 66 G CA 0.798 45.920 45.100 0.035 0.000 0.650 66 G HN 1.948 nan 8.290 nan 0.000 0.529 67 I N -2.470 118.145 120.570 0.075 0.000 2.607 67 I HA 0.865 5.035 4.170 -0.001 0.000 0.305 67 I C -0.134 176.119 176.117 0.226 0.000 0.995 67 I CA -1.193 60.190 61.300 0.138 0.000 1.148 67 I CB 1.807 39.793 38.000 -0.024 0.000 1.323 67 I HN 0.020 nan 8.210 nan 0.000 0.461 68 Q N 2.873 122.941 119.800 0.447 0.000 2.284 68 Q HA 0.627 4.967 4.340 -0.001 0.000 0.269 68 Q C -1.352 174.934 176.000 0.477 0.000 1.026 68 Q CA -0.786 55.250 55.803 0.388 0.000 0.831 68 Q CB 2.663 31.610 28.738 0.349 0.000 1.322 68 Q HN 0.923 nan 8.270 nan 0.000 0.419 69 A N 1.708 124.730 122.820 0.338 0.000 2.289 69 A HA 0.643 4.962 4.320 -0.001 0.000 0.298 69 A C -0.051 177.671 177.584 0.229 0.000 1.208 69 A CA -0.265 51.986 52.037 0.356 0.000 0.845 69 A CB 0.486 19.643 19.000 0.263 0.000 1.125 69 A HN 0.590 nan 8.150 nan 0.000 0.517 70 T N 0.153 114.828 114.554 0.202 0.000 2.855 70 T HA 0.793 5.142 4.350 -0.001 0.000 0.281 70 T C 0.158 174.921 174.700 0.104 0.000 1.007 70 T CA 0.155 62.344 62.100 0.148 0.000 1.009 70 T CB 1.253 70.224 68.868 0.172 0.000 0.983 70 T HN 2.566 nan 8.240 nan 0.000 0.455 71 G N 2.209 111.069 108.800 0.100 0.000 2.570 71 G HA2 0.000 3.960 3.960 -0.001 0.000 0.686 71 G HA3 0.000 3.960 3.960 -0.001 0.000 0.686 71 G C -0.730 174.238 174.900 0.114 0.000 1.257 71 G CA -0.692 44.470 45.100 0.103 0.000 0.846 71 G HN 0.920 nan 8.290 nan 0.000 0.627 72 N N -0.490 118.282 118.700 0.120 0.000 2.517 72 N HA 0.253 4.993 4.740 -0.001 0.000 0.285 72 N C -0.381 175.189 175.510 0.100 0.000 1.528 72 N CA -0.477 52.632 53.050 0.098 0.000 0.892 72 N CB 0.720 39.242 38.487 0.059 0.000 1.356 72 N HN 0.580 nan 8.380 nan 0.000 0.495 73 Y N 2.714 123.037 120.300 0.038 0.000 2.610 73 Y HA 0.136 4.686 4.550 -0.001 0.000 0.332 73 Y C -1.951 173.974 175.900 0.041 0.000 1.201 73 Y CA -1.180 56.944 58.100 0.039 0.000 1.465 73 Y CB 0.515 39.000 38.460 0.041 0.000 1.283 73 Y HN 0.202 nan 8.280 nan 0.000 0.563 74 P HA 0.346 nan 4.420 nan 0.000 0.278 74 P C 0.030 177.345 177.300 0.026 0.000 1.258 74 P CA 0.334 63.339 63.100 -0.160 0.000 0.811 74 P CB 1.442 33.000 31.700 -0.237 0.000 1.063 75 G N 0.099 108.934 108.800 0.058 0.000 2.184 75 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.206 75 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.206 75 G C 0.108 175.090 174.900 0.137 0.000 0.995 75 G CA 0.083 45.245 45.100 0.104 0.000 0.651 75 G HN 0.860 nan 8.290 nan 0.000 0.511 76 K N 0.588 121.067 120.400 0.131 0.000 2.518 76 K HA 0.518 4.837 4.320 -0.001 0.000 0.276 76 K C 0.642 177.331 176.600 0.148 0.000 0.974 76 K CA 0.266 56.635 56.287 0.136 0.000 0.986 76 K CB 0.664 33.237 32.500 0.122 0.000 0.901 76 K HN 1.079 nan 8.250 nan 0.000 0.497 77 A N 3.014 125.946 122.820 0.187 0.000 2.407 77 A HA 0.144 4.463 4.320 -0.001 0.000 0.248 77 A C 0.381 178.101 177.584 0.226 0.000 1.082 77 A CA -0.503 51.663 52.037 0.217 0.000 0.785 77 A CB 0.341 19.516 19.000 0.292 0.000 1.020 77 A HN 0.920 nan 8.150 nan 0.000 0.489 78 R N 0.425 121.037 120.500 0.188 0.000 2.404 78 R HA 0.148 4.487 4.340 -0.001 0.000 0.237 78 R C 0.080 176.482 176.300 0.170 0.000 0.907 78 R CA 0.536 56.740 56.100 0.174 0.000 1.063 78 R CB 0.243 30.599 30.300 0.095 0.000 1.134 78 R HN 0.934 nan 8.270 nan 0.000 0.529 79 N N -1.852 116.914 118.700 0.109 0.000 2.934 79 N HA 0.208 4.947 4.740 -0.001 0.000 0.253 79 N C 0.195 175.523 175.510 -0.303 0.000 1.466 79 N CA -0.202 52.686 53.050 -0.270 0.000 0.858 79 N CB 1.069 39.389 38.487 -0.277 0.000 1.459 79 N HN -0.143 nan 8.380 nan 0.000 0.532 80 A N 1.090 123.351 122.820 -0.931 0.000 1.873 80 A HA -0.178 4.142 4.320 -0.001 0.000 0.218 80 A C 2.202 179.611 177.584 -0.291 0.000 1.193 80 A CA 2.540 54.300 52.037 -0.461 0.000 0.629 80 A CB -1.202 17.396 19.000 -0.669 0.000 0.826 80 A HN 0.689 nan 8.150 nan 0.000 0.447 81 S N -0.472 115.047 115.700 -0.302 0.000 2.372 81 S HA -0.234 4.235 4.470 -0.001 0.000 0.227 81 S C 1.902 176.450 174.600 -0.086 0.000 1.044 81 S CA 1.826 59.904 58.200 -0.202 0.000 1.050 81 S CB -0.382 62.729 63.200 -0.149 0.000 0.901 81 S HN 0.712 nan 8.310 nan 0.000 0.447 82 E N 0.177 120.373 120.200 -0.007 0.000 2.072 82 E HA -0.107 4.243 4.350 -0.001 0.000 0.191 82 E C 2.110 178.816 176.600 0.178 0.000 0.985 82 E CA 0.704 57.164 56.400 0.100 0.000 0.801 82 E CB -0.220 29.549 29.700 0.115 0.000 0.750 82 E HN 0.225 nan 8.360 nan 0.000 0.452 83 L N 1.611 122.969 121.223 0.225 0.000 1.989 83 L HA -0.215 4.125 4.340 -0.001 0.000 0.211 83 L C 2.203 179.184 176.870 0.185 0.000 1.071 83 L CA 1.803 56.844 54.840 0.335 0.000 0.749 83 L CB -0.328 42.070 42.059 0.566 0.000 0.890 83 L HN -0.033 nan 8.230 nan 0.000 0.431 84 R N -0.946 119.519 120.500 -0.058 0.000 2.091 84 R HA -0.139 4.201 4.340 -0.001 0.000 0.238 84 R C 2.189 178.464 176.300 -0.041 0.000 1.136 84 R CA 1.297 57.166 56.100 -0.385 0.000 0.959 84 R CB -0.680 29.045 30.300 -0.959 0.000 0.856 84 R HN 0.512 nan 8.270 nan 0.000 0.437 85 A N 1.487 124.336 122.820 0.048 0.000 1.933 85 A HA -0.202 4.118 4.320 -0.001 0.000 0.218 85 A C 1.482 179.161 177.584 0.159 0.000 1.175 85 A CA 1.849 53.979 52.037 0.156 0.000 0.628 85 A CB -0.325 18.816 19.000 0.234 0.000 0.814 85 A HN 0.172 nan 8.150 nan 0.000 0.444 86 D N -0.011 120.524 120.400 0.225 0.000 2.097 86 D HA -0.078 4.561 4.640 -0.001 0.000 0.197 86 D C 1.989 178.376 176.300 0.144 0.000 0.984 86 D CA 0.933 55.093 54.000 0.266 0.000 0.826 86 D CB -0.407 40.664 40.800 0.451 0.000 0.973 86 D HN 0.417 nan 8.370 nan 0.000 0.460 87 L N 0.965 122.225 121.223 0.061 0.000 1.989 87 L HA -0.209 4.131 4.340 -0.001 0.000 0.211 87 L C 2.368 179.209 176.870 -0.048 0.000 1.071 87 L CA 1.409 56.134 54.840 -0.193 0.000 0.749 87 L CB -0.468 41.569 42.059 -0.036 0.000 0.890 87 L HN 0.073 nan 8.230 nan 0.000 0.431 88 E N -0.436 119.842 120.200 0.131 0.000 2.070 88 E HA -0.343 4.006 4.350 -0.001 0.000 0.197 88 E C 2.121 178.695 176.600 -0.043 0.000 1.004 88 E CA 1.642 58.102 56.400 0.100 0.000 0.805 88 E CB -0.188 29.615 29.700 0.172 0.000 0.744 88 E HN 0.369 nan 8.360 nan 0.000 0.451 89 Q N 0.945 120.661 119.800 -0.140 0.000 2.124 89 Q HA -0.139 4.200 4.340 -0.001 0.000 0.202 89 Q C 1.879 177.798 176.000 -0.136 0.000 0.977 89 Q CA 1.829 57.475 55.803 -0.261 0.000 0.850 89 Q CB -0.281 28.006 28.738 -0.752 0.000 0.901 89 Q HN 0.263 nan 8.270 nan 0.000 0.429 90 A N 0.166 122.927 122.820 -0.098 0.000 1.855 90 A HA -0.139 4.180 4.320 -0.001 0.000 0.215 90 A C 2.140 179.648 177.584 -0.127 0.000 1.191 90 A CA 1.652 53.644 52.037 -0.074 0.000 0.613 90 A CB -0.634 18.304 19.000 -0.103 0.000 0.829 90 A HN 0.506 nan 8.150 nan 0.000 0.442 91 M N -0.001 119.509 119.600 -0.151 0.000 2.192 91 M HA -0.241 4.238 4.480 -0.001 0.000 0.259 91 M C 2.093 178.325 176.300 -0.113 0.000 1.071 91 M CA 2.077 57.291 55.300 -0.143 0.000 1.082 91 M CB -0.459 32.059 32.600 -0.135 0.000 1.373 91 M HN 0.615 nan 8.290 nan 0.000 0.408 92 R N 0.663 121.111 120.500 -0.086 0.000 2.307 92 R HA -0.006 4.333 4.340 -0.001 0.000 0.199 92 R C 1.083 177.350 176.300 -0.054 0.000 1.000 92 R CA 0.818 56.880 56.100 -0.064 0.000 1.023 92 R CB -0.342 29.932 30.300 -0.042 0.000 0.908 92 R HN 0.398 nan 8.270 nan 0.000 0.473 93 L N 0.540 121.720 121.223 -0.071 0.000 2.766 93 L HA 0.418 4.758 4.340 -0.001 0.000 0.242 93 L C 0.126 176.906 176.870 -0.149 0.000 1.136 93 L CA -0.264 54.532 54.840 -0.073 0.000 0.933 93 L CB 0.492 42.528 42.059 -0.040 0.000 1.241 93 L HN 0.076 nan 8.230 nan 0.000 0.522 94 I N 2.295 122.781 120.570 -0.140 0.000 2.382 94 I HA 0.313 4.482 4.170 -0.001 0.000 0.286 94 I C -2.323 173.704 176.117 -0.151 0.000 1.002 94 I CA -1.932 59.296 61.300 -0.121 0.000 1.135 94 I CB 2.272 40.204 38.000 -0.114 0.000 1.288 94 I HN -0.207 nan 8.210 nan 0.000 0.448 95 P HA 0.343 nan 4.420 nan 0.000 0.279 95 P C 0.260 177.246 177.300 -0.523 0.000 1.239 95 P CA 0.526 63.368 63.100 -0.430 0.000 0.789 95 P CB 1.265 32.642 31.700 -0.539 0.000 0.933 96 G N 3.421 111.578 108.800 -1.072 0.000 2.660 96 G HA2 -0.109 3.851 3.960 -0.001 0.000 0.215 96 G HA3 -0.109 3.851 3.960 -0.001 0.000 0.215 96 G C -2.960 171.829 174.900 -0.184 0.000 1.345 96 G CA -0.823 43.871 45.100 -0.675 0.000 0.877 96 G HN 0.563 nan 8.290 nan 0.000 0.549 97 P HA 0.318 nan 4.420 nan 0.000 0.271 97 P C -0.506 176.771 177.300 -0.037 0.000 1.220 97 P CA 0.438 63.530 63.100 -0.013 0.000 0.768 97 P CB 0.893 32.615 31.700 0.037 0.000 0.848 98 K N 2.512 122.875 120.400 -0.063 0.000 2.509 98 K HA 0.684 5.003 4.320 -0.001 0.000 0.266 98 K C -0.431 176.121 176.600 -0.079 0.000 0.987 98 K CA -1.034 55.207 56.287 -0.077 0.000 0.868 98 K CB 2.476 34.906 32.500 -0.118 0.000 1.421 98 K HN 0.303 nan 8.250 nan 0.000 0.444 99 R N -0.256 120.201 120.500 -0.071 0.000 2.950 99 R HA 0.607 4.947 4.340 -0.001 0.000 0.253 99 R C -1.197 175.059 176.300 -0.073 0.000 1.168 99 R CA -1.061 55.003 56.100 -0.059 0.000 1.014 99 R CB 1.262 31.554 30.300 -0.013 0.000 1.228 99 R HN 0.557 nan 8.270 nan 0.000 0.487 100 L N 0.576 121.771 121.223 -0.047 0.000 2.385 100 L HA 0.529 4.869 4.340 -0.001 0.000 0.273 100 L C -1.419 175.427 176.870 -0.040 0.000 0.990 100 L CA -0.470 54.332 54.840 -0.063 0.000 0.821 100 L CB 1.920 43.987 42.059 0.013 0.000 1.279 100 L HN 0.445 nan 8.230 nan 0.000 0.412 101 N N 4.917 123.575 118.700 -0.070 0.000 2.469 101 N HA 0.467 5.206 4.740 -0.001 0.000 0.253 101 N C -1.505 174.044 175.510 0.065 0.000 0.970 101 N CA -0.195 52.879 53.050 0.039 0.000 0.940 101 N CB 0.578 39.073 38.487 0.014 0.000 1.128 101 N HN 0.671 nan 8.380 nan 0.000 0.503 102 L N 2.471 123.794 121.223 0.166 0.000 2.334 102 L HA 0.371 4.710 4.340 -0.001 0.000 0.275 102 L C 0.347 177.335 176.870 0.197 0.000 1.036 102 L CA -0.858 54.081 54.840 0.165 0.000 0.807 102 L CB 1.316 43.503 42.059 0.213 0.000 1.231 102 L HN 0.405 nan 8.230 nan 0.000 0.438 103 H N 1.195 120.395 119.070 0.218 0.000 2.467 103 H HA 0.276 4.831 4.556 -0.001 0.000 0.326 103 H C 0.565 176.094 175.328 0.335 0.000 1.094 103 H CA 0.102 56.258 56.048 0.180 0.000 1.253 103 H CB 2.236 32.204 29.762 0.343 0.000 1.439 103 H HN 0.804 nan 8.280 nan 0.000 0.479 104 A N 5.172 128.096 122.820 0.174 0.000 1.940 104 A HA -0.231 4.088 4.320 -0.001 0.000 0.221 104 A C 2.257 180.220 177.584 0.631 0.000 1.190 104 A CA 2.051 54.445 52.037 0.596 0.000 0.647 104 A CB -1.012 18.307 19.000 0.530 0.000 0.821 104 A HN 0.837 nan 8.150 nan 0.000 0.457 105 I N -4.693 116.077 120.570 0.332 0.000 3.164 105 I HA -0.102 4.067 4.170 -0.001 0.000 0.278 105 I C 1.099 177.147 176.117 -0.115 0.000 1.320 105 I CA 1.070 62.394 61.300 0.039 0.000 1.422 105 I CB -0.451 37.416 38.000 -0.221 0.000 1.066 105 I HN 0.285 nan 8.210 nan 0.000 0.503 106 Y N 2.397 122.850 120.300 0.256 0.000 2.571 106 Y HA 0.380 4.929 4.550 -0.001 0.000 0.275 106 Y C 1.189 177.490 175.900 0.668 0.000 1.179 106 Y CA -0.941 57.273 58.100 0.191 0.000 1.242 106 Y CB -0.150 38.415 38.460 0.175 0.000 1.126 106 Y HN 0.253 nan 8.280 nan 0.000 0.524 107 L N -0.576 120.935 121.223 0.480 0.000 2.483 107 L HA 0.247 4.586 4.340 -0.001 0.000 0.275 107 L C -0.259 176.713 176.870 0.171 0.000 1.220 107 L CA -0.101 54.719 54.840 -0.033 0.000 0.833 107 L CB 0.792 42.709 42.059 -0.237 0.000 1.102 107 L HN 0.140 nan 8.230 nan 0.000 0.490 108 E N 2.886 123.084 120.200 -0.004 0.000 2.070 108 E HA 0.339 4.688 4.350 -0.001 0.000 0.261 108 E C -0.863 175.719 176.600 -0.029 0.000 0.926 108 E CA -0.337 56.060 56.400 -0.006 0.000 0.760 108 E CB 1.435 31.084 29.700 -0.084 0.000 1.133 108 E HN 0.702 nan 8.360 nan 0.000 0.420 109 S N 2.048 117.724 115.700 -0.041 0.000 2.595 109 S HA 0.230 4.699 4.470 -0.001 0.000 0.281 109 S C 0.026 174.604 174.600 -0.038 0.000 1.117 109 S CA -0.658 57.522 58.200 -0.034 0.000 0.873 109 S CB 1.628 64.765 63.200 -0.105 0.000 1.108 109 S HN 0.296 nan 8.310 nan 0.000 0.477 110 D N 1.288 121.676 120.400 -0.020 0.000 2.183 110 D HA 0.102 4.742 4.640 -0.001 0.000 0.205 110 D C 0.907 177.193 176.300 -0.024 0.000 0.962 110 D CA 1.254 55.241 54.000 -0.022 0.000 0.849 110 D CB 0.129 40.923 40.800 -0.011 0.000 0.978 110 D HN 0.649 nan 8.370 nan 0.000 0.488 111 T N 0.235 114.775 114.554 -0.023 0.000 2.888 111 T HA 0.480 4.830 4.350 -0.001 0.000 0.284 111 T C -2.821 171.849 174.700 -0.051 0.000 1.017 111 T CA -2.122 59.962 62.100 -0.026 0.000 1.022 111 T CB 2.166 71.026 68.868 -0.012 0.000 1.013 111 T HN -0.303 nan 8.240 nan 0.000 0.465 112 P HA 0.306 nan 4.420 nan 0.000 0.269 112 P C -1.071 176.188 177.300 -0.068 0.000 1.209 112 P CA -0.316 62.754 63.100 -0.051 0.000 0.776 112 P CB 0.467 32.147 31.700 -0.033 0.000 0.876 113 V N 1.849 121.710 119.914 -0.089 0.000 2.444 113 V HA 0.238 4.357 4.120 -0.001 0.000 0.294 113 V C 0.529 176.617 176.094 -0.010 0.000 1.022 113 V CA -0.692 61.550 62.300 -0.098 0.000 0.850 113 V CB 1.573 33.228 31.823 -0.280 0.000 0.992 113 V HN 0.603 nan 8.190 nan 0.000 0.426 114 S N 4.216 119.938 115.700 0.037 0.000 2.537 114 S HA 0.137 4.606 4.470 -0.001 0.000 0.286 114 S C 1.511 176.160 174.600 0.083 0.000 1.299 114 S CA -0.172 58.093 58.200 0.109 0.000 1.067 114 S CB 0.321 63.609 63.200 0.148 0.000 0.864 114 S HN 0.713 nan 8.310 nan 0.000 0.494 115 R N 2.108 122.651 120.500 0.071 0.000 2.103 115 R HA -0.142 4.197 4.340 -0.001 0.000 0.242 115 R C 1.062 177.218 176.300 -0.240 0.000 1.142 115 R CA 1.857 57.819 56.100 -0.231 0.000 0.960 115 R CB -0.488 29.445 30.300 -0.611 0.000 0.858 115 R HN 0.809 nan 8.270 nan 0.000 0.439 116 D N -0.159 119.979 120.400 -0.437 0.000 2.346 116 D HA -0.078 4.561 4.640 -0.001 0.000 0.248 116 D C 0.713 176.980 176.300 -0.055 0.000 1.173 116 D CA 0.419 54.204 54.000 -0.357 0.000 0.878 116 D CB 0.291 40.734 40.800 -0.596 0.000 0.919 116 D HN 0.078 nan 8.370 nan 0.000 0.513 117 Q N 0.179 120.006 119.800 0.045 0.000 2.073 117 Q HA 0.220 4.559 4.340 -0.001 0.000 0.215 117 Q C 0.847 176.958 176.000 0.186 0.000 0.776 117 Q CA -0.334 55.525 55.803 0.095 0.000 1.008 117 Q CB 0.981 29.773 28.738 0.091 0.000 1.196 117 Q HN 0.581 nan 8.270 nan 0.000 0.458 118 I N -0.685 120.031 120.570 0.243 0.000 3.045 118 I HA 0.153 4.322 4.170 -0.001 0.000 0.288 118 I C -0.297 176.053 176.117 0.387 0.000 1.238 118 I CA 0.127 61.690 61.300 0.438 0.000 1.396 118 I CB 0.538 38.849 38.000 0.519 0.000 1.355 118 I HN -0.239 nan 8.210 nan 0.000 0.601 119 K N 3.935 124.618 120.400 0.471 0.000 2.512 119 K HA 0.443 4.762 4.320 -0.001 0.000 0.263 119 K C -2.157 174.445 176.600 0.002 0.000 0.966 119 K CA -1.345 54.941 56.287 -0.001 0.000 0.851 119 K CB 1.925 34.228 32.500 -0.328 0.000 1.395 119 K HN 0.200 nan 8.250 nan 0.000 0.440 120 P HA -0.318 nan 4.420 nan 0.000 0.216 120 P C 0.822 177.998 177.300 -0.206 0.000 1.157 120 P CA 1.536 64.395 63.100 -0.401 0.000 0.880 120 P CB 0.155 31.131 31.700 -1.206 0.000 0.791 121 E N -0.646 119.348 120.200 -0.343 0.000 2.171 121 E HA -0.274 4.075 4.350 -0.001 0.000 0.197 121 E C 1.280 177.817 176.600 -0.105 0.000 0.997 121 E CA 1.314 57.578 56.400 -0.226 0.000 0.810 121 E CB -1.126 28.413 29.700 -0.269 0.000 0.738 121 E HN 0.413 nan 8.360 nan 0.000 0.467 122 H N -1.063 118.047 119.070 0.068 0.000 2.563 122 H HA 0.018 4.574 4.556 -0.001 0.000 0.272 122 H C 0.386 175.525 175.328 -0.316 0.000 1.005 122 H CA 0.687 56.661 56.048 -0.123 0.000 1.171 122 H CB -0.201 29.429 29.762 -0.220 0.000 1.351 122 H HN 0.334 nan 8.280 nan 0.000 0.602 123 F N -0.053 120.128 119.950 0.385 0.000 2.746 123 F HA 0.175 4.701 4.527 -0.001 0.000 0.320 123 F C 2.056 178.173 175.800 0.528 0.000 1.097 123 F CA -0.471 57.883 58.000 0.591 0.000 1.195 123 F CB 0.525 39.941 39.000 0.693 0.000 1.056 123 F HN -0.126 nan 8.300 nan 0.000 0.562 124 K N 1.639 122.316 120.400 0.461 0.000 2.089 124 K HA -0.240 4.080 4.320 -0.001 0.000 0.210 124 K C 0.984 177.730 176.600 0.243 0.000 1.048 124 K CA 2.301 58.795 56.287 0.345 0.000 0.926 124 K CB -0.471 32.154 32.500 0.208 0.000 0.714 124 K HN 0.386 nan 8.250 nan 0.000 0.448 125 N N -0.582 118.197 118.700 0.132 0.000 2.188 125 N HA -0.135 4.605 4.740 -0.001 0.000 0.184 125 N C 1.756 177.313 175.510 0.078 0.000 1.018 125 N CA 1.560 54.615 53.050 0.008 0.000 0.858 125 N CB -0.256 38.115 38.487 -0.194 0.000 0.989 125 N HN 0.299 nan 8.380 nan 0.000 0.426 126 W N 0.915 122.350 121.300 0.225 0.000 2.355 126 W HA -0.135 4.525 4.660 -0.001 0.000 0.309 126 W C 2.165 178.793 176.519 0.181 0.000 1.206 126 W CA 0.359 57.850 57.345 0.244 0.000 1.284 126 W CB -0.581 29.059 29.460 0.301 0.000 1.145 126 W HN -0.148 nan 8.180 nan 0.000 0.502 127 V N 1.235 121.355 119.914 0.345 0.000 2.252 127 V HA -0.396 3.723 4.120 -0.001 0.000 0.249 127 V C 2.238 178.395 176.094 0.105 0.000 1.056 127 V CA 2.532 64.881 62.300 0.081 0.000 1.022 127 V CB -1.237 30.627 31.823 0.069 0.000 0.641 127 V HN 0.393 nan 8.190 nan 0.000 0.445 128 E N -0.632 119.661 120.200 0.155 0.000 2.070 128 E HA -0.352 3.997 4.350 -0.001 0.000 0.197 128 E C 2.113 178.802 176.600 0.147 0.000 1.004 128 E CA 2.130 58.601 56.400 0.119 0.000 0.805 128 E CB -0.746 29.019 29.700 0.109 0.000 0.744 128 E HN 0.672 nan 8.360 nan 0.000 0.451 129 W N 1.742 123.057 121.300 0.025 0.000 2.342 129 W HA -0.107 4.553 4.660 -0.001 0.000 0.297 129 W C 2.414 178.953 176.519 0.034 0.000 1.213 129 W CA 2.405 59.767 57.345 0.028 0.000 1.251 129 W CB -0.402 29.089 29.460 0.051 0.000 1.136 129 W HN 0.261 nan 8.180 nan 0.000 0.526 130 A N 0.687 123.573 122.820 0.110 0.000 1.877 130 A HA -0.218 4.102 4.320 -0.001 0.000 0.216 130 A C 2.086 179.538 177.584 -0.220 0.000 1.186 130 A CA 1.929 53.873 52.037 -0.156 0.000 0.620 130 A CB -0.755 18.209 19.000 -0.061 0.000 0.822 130 A HN 0.285 nan 8.150 nan 0.000 0.443 131 K N -0.371 119.960 120.400 -0.115 0.000 2.032 131 K HA -0.157 4.162 4.320 -0.001 0.000 0.209 131 K C 2.189 178.705 176.600 -0.140 0.000 1.048 131 K CA 1.426 57.648 56.287 -0.108 0.000 0.927 131 K CB -0.438 32.029 32.500 -0.055 0.000 0.712 131 K HN 0.458 nan 8.250 nan 0.000 0.441 132 A N 1.430 124.159 122.820 -0.152 0.000 2.119 132 A HA -0.071 4.248 4.320 -0.001 0.000 0.217 132 A C 1.469 178.893 177.584 -0.267 0.000 1.153 132 A CA 1.013 52.951 52.037 -0.166 0.000 0.692 132 A CB -0.104 18.829 19.000 -0.113 0.000 0.799 132 A HN 0.268 nan 8.150 nan 0.000 0.458 133 N N -0.414 118.026 118.700 -0.433 0.000 2.205 133 N HA 0.016 4.755 4.740 -0.001 0.000 0.201 133 N C -0.534 174.767 175.510 -0.348 0.000 1.128 133 N CA 0.114 52.866 53.050 -0.496 0.000 0.867 133 N CB 0.421 38.325 38.487 -0.971 0.000 0.996 133 N HN 0.225 nan 8.380 nan 0.000 0.503 134 Q N 0.172 119.814 119.800 -0.263 0.000 2.470 134 Q HA -0.145 4.195 4.340 -0.001 0.000 0.294 134 Q C -0.878 175.015 176.000 -0.179 0.000 1.356 134 Q CA 0.782 56.477 55.803 -0.180 0.000 0.805 134 Q CB -2.101 26.557 28.738 -0.132 0.000 1.157 134 Q HN 0.451 nan 8.270 nan 0.000 0.431 135 L N -1.061 120.032 121.223 -0.217 0.000 2.362 135 L HA 0.828 5.167 4.340 -0.001 0.000 0.271 135 L C 1.164 177.955 176.870 -0.131 0.000 1.002 135 L CA -0.758 53.975 54.840 -0.179 0.000 0.818 135 L CB 1.938 43.856 42.059 -0.236 0.000 1.298 135 L HN 0.148 nan 8.230 nan 0.000 0.420 136 G N 1.865 110.615 108.800 -0.084 0.000 2.528 136 G HA2 0.679 4.638 3.960 -0.001 0.000 0.289 136 G HA3 0.679 4.638 3.960 -0.001 0.000 0.289 136 G C -0.815 174.045 174.900 -0.066 0.000 1.192 136 G CA -0.530 44.534 45.100 -0.059 0.000 0.921 136 G HN 0.387 nan 8.290 nan 0.000 0.512 137 L N 0.404 121.591 121.223 -0.061 0.000 2.381 137 L HA 0.456 4.796 4.340 -0.001 0.000 0.268 137 L C -0.928 176.060 176.870 0.196 0.000 0.997 137 L CA -0.920 53.891 54.840 -0.048 0.000 0.818 137 L CB 2.397 44.139 42.059 -0.529 0.000 1.310 137 L HN 0.429 nan 8.230 nan 0.000 0.416 138 D N 1.139 121.691 120.400 0.252 0.000 2.423 138 D HA 0.606 5.245 4.640 -0.001 0.000 0.235 138 D C -1.320 175.242 176.300 0.437 0.000 1.011 138 D CA -0.168 54.003 54.000 0.286 0.000 0.963 138 D CB 3.269 44.165 40.800 0.160 0.000 1.349 138 D HN 0.085 nan 8.370 nan 0.000 0.508 139 F N 0.257 120.252 119.950 0.075 0.000 2.685 139 F HA 0.401 4.927 4.527 -0.001 0.000 0.315 139 F C -1.423 174.322 175.800 -0.092 0.000 1.126 139 F CA -0.641 57.340 58.000 -0.032 0.000 0.950 139 F CB 1.884 40.731 39.000 -0.255 0.000 1.360 139 F HN 0.188 nan 8.300 nan 0.000 0.469 140 N N 3.235 121.301 118.700 -1.056 0.000 2.455 140 N HA 0.286 5.026 4.740 -0.001 0.000 0.285 140 N C -3.140 171.790 175.510 -0.967 0.000 1.080 140 N CA -1.352 51.176 53.050 -0.870 0.000 0.932 140 N CB 2.837 40.726 38.487 -0.997 0.000 1.610 140 N HN 0.122 nan 8.380 nan 0.000 0.493 141 P HA 0.073 nan 4.420 nan 0.000 0.269 141 P C -0.585 176.796 177.300 0.134 0.000 1.215 141 P CA -0.094 62.831 63.100 -0.291 0.000 0.780 141 P CB 0.562 32.065 31.700 -0.327 0.000 0.898 142 S N 1.099 117.087 115.700 0.481 0.000 2.461 142 S HA 0.212 4.682 4.470 -0.001 0.000 0.322 142 S C 0.431 174.996 174.600 -0.058 0.000 1.063 142 S CA -0.502 57.731 58.200 0.056 0.000 1.120 142 S CB -0.260 62.801 63.200 -0.232 0.000 0.968 142 S HN 0.427 nan 8.310 nan 0.000 0.467 143 C N 3.043 122.257 119.300 -0.144 0.000 2.688 143 C HA 0.414 4.874 4.460 -0.001 0.000 0.297 143 C C 0.368 175.076 174.990 -0.469 0.000 1.308 143 C CA -0.736 57.984 59.018 -0.498 0.000 1.726 143 C CB -2.377 25.036 27.740 -0.546 0.000 1.982 143 C HN 0.853 nan 8.230 nan 0.000 0.604 144 F N -3.128 116.701 119.950 -0.201 0.000 2.790 144 F HA 0.716 5.242 4.527 -0.001 0.000 0.337 144 F C 0.628 176.454 175.800 0.044 0.000 1.163 144 F CA -1.266 56.661 58.000 -0.121 0.000 0.997 144 F CB -0.190 38.773 39.000 -0.060 0.000 1.437 144 F HN -0.214 nan 8.300 nan 0.000 0.512 145 S N 0.542 116.406 115.700 0.273 0.000 3.559 145 S HA -0.222 4.248 4.470 -0.001 0.000 0.369 145 S C -0.621 174.077 174.600 0.164 0.000 0.987 145 S CA 1.129 59.434 58.200 0.175 0.000 1.187 145 S CB -2.271 61.013 63.200 0.139 0.000 0.914 145 S HN 1.108 nan 8.310 nan 0.000 0.480 146 H N -1.066 118.068 119.070 0.105 0.000 2.980 146 H HA 0.327 4.882 4.556 -0.001 0.000 0.367 146 H C -2.699 172.709 175.328 0.133 0.000 1.206 146 H CA -1.697 54.435 56.048 0.141 0.000 1.126 146 H CB 1.950 31.929 29.762 0.362 0.000 1.838 146 H HN -0.130 nan 8.280 nan 0.000 0.552 147 P HA -0.027 nan 4.420 nan 0.000 0.220 147 P C 1.214 178.595 177.300 0.134 0.000 1.148 147 P CA 1.075 64.105 63.100 -0.116 0.000 0.803 147 P CB 0.308 31.809 31.700 -0.332 0.000 0.782 148 L N -1.330 120.194 121.223 0.501 0.000 2.611 148 L HA 0.140 4.479 4.340 -0.001 0.000 0.229 148 L C 1.630 178.924 176.870 0.708 0.000 1.137 148 L CA 0.610 55.754 54.840 0.507 0.000 0.901 148 L CB -0.488 41.696 42.059 0.207 0.000 1.098 148 L HN 0.049 nan 8.230 nan 0.000 0.456 149 S N -1.045 114.994 115.700 0.564 0.000 2.539 149 S HA 0.197 4.667 4.470 -0.001 0.000 0.221 149 S C 1.798 176.492 174.600 0.157 0.000 0.987 149 S CA 0.274 58.627 58.200 0.255 0.000 0.929 149 S CB 0.558 63.809 63.200 0.084 0.000 0.832 149 S HN 0.223 nan 8.310 nan 0.000 0.492 150 A N 1.817 124.754 122.820 0.195 0.000 2.070 150 A HA -0.036 4.284 4.320 -0.001 0.000 0.220 150 A C 1.697 179.354 177.584 0.122 0.000 1.159 150 A CA 1.584 53.699 52.037 0.128 0.000 0.656 150 A CB -0.517 18.537 19.000 0.089 0.000 0.800 150 A HN 0.520 nan 8.150 nan 0.000 0.453 151 D N -1.655 118.864 120.400 0.198 0.000 2.347 151 D HA 0.235 4.874 4.640 -0.001 0.000 0.213 151 D C 1.452 177.867 176.300 0.191 0.000 0.985 151 D CA 1.245 55.387 54.000 0.237 0.000 0.879 151 D CB 0.188 41.204 40.800 0.360 0.000 0.919 151 D HN 0.585 nan 8.370 nan 0.000 0.526 152 G N -0.338 108.449 108.800 -0.022 0.000 2.179 152 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.220 152 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.220 152 G C -0.023 174.234 174.900 -1.073 0.000 0.990 152 G CA -0.363 44.456 45.100 -0.468 0.000 0.646 152 G HN 0.218 nan 8.290 nan 0.000 0.517 153 F N 0.348 120.238 119.950 -0.100 0.000 2.565 153 F HA 0.703 5.229 4.527 -0.001 0.000 0.313 153 F C 0.953 176.751 175.800 -0.003 0.000 1.091 153 F CA -0.047 57.879 58.000 -0.123 0.000 0.915 153 F CB 2.000 40.868 39.000 -0.220 0.000 1.208 153 F HN 0.200 nan 8.300 nan 0.000 0.453 154 T N -1.822 112.712 114.554 -0.033 0.000 3.257 154 T HA 0.246 4.596 4.350 -0.001 0.000 0.176 154 T C 1.449 176.218 174.700 0.116 0.000 0.892 154 T CA -0.113 61.814 62.100 -0.288 0.000 1.147 154 T CB -0.451 67.678 68.868 -1.233 0.000 1.840 154 T HN 0.425 nan 8.240 nan 0.000 0.375 155 L N 2.502 123.725 121.223 0.000 0.000 2.265 155 L HA 0.037 4.377 4.340 -0.001 0.000 0.215 155 L C 2.662 179.592 176.870 0.100 0.000 1.117 155 L CA 1.505 56.405 54.840 0.100 0.000 0.782 155 L CB -0.570 41.503 42.059 0.024 0.000 0.914 155 L HN 0.627 nan 8.230 nan 0.000 0.441 156 S N -3.122 112.629 115.700 0.086 0.000 2.556 156 S HA 0.009 4.478 4.470 -0.001 0.000 0.216 156 S C 0.875 175.553 174.600 0.130 0.000 0.970 156 S CA -0.487 57.765 58.200 0.087 0.000 0.912 156 S CB -0.369 62.852 63.200 0.035 0.000 0.790 156 S HN 0.313 nan 8.310 nan 0.000 0.504 157 H N 1.850 121.000 119.070 0.133 0.000 3.038 157 H HA 0.230 4.785 4.556 -0.001 0.000 0.338 157 H C 1.470 176.802 175.328 0.008 0.000 1.041 157 H CA 0.927 57.028 56.048 0.088 0.000 1.394 157 H CB 1.032 30.910 29.762 0.193 0.000 1.357 157 H HN 0.302 nan 8.280 nan 0.000 0.600 158 A N 4.230 127.144 122.820 0.157 0.000 1.968 158 A HA -0.095 4.225 4.320 -0.001 0.000 0.217 158 A C 1.116 178.838 177.584 0.230 0.000 1.169 158 A CA 0.763 52.880 52.037 0.133 0.000 0.638 158 A CB -0.101 18.891 19.000 -0.014 0.000 0.812 158 A HN 0.814 nan 8.150 nan 0.000 0.446 159 D N 0.300 120.948 120.400 0.414 0.000 2.382 159 D HA 0.022 4.662 4.640 -0.001 0.000 0.259 159 D C -0.271 176.055 176.300 0.044 0.000 1.224 159 D CA -0.096 53.960 54.000 0.093 0.000 0.894 159 D CB 0.555 41.301 40.800 -0.090 0.000 1.127 159 D HN 0.153 nan 8.370 nan 0.000 0.487 160 D N 2.281 122.709 120.400 0.046 0.000 2.133 160 D HA -0.157 4.483 4.640 -0.001 0.000 0.195 160 D C 1.859 178.179 176.300 0.034 0.000 0.997 160 D CA 1.162 55.189 54.000 0.046 0.000 0.840 160 D CB 0.024 40.846 40.800 0.036 0.000 0.947 160 D HN 0.300 nan 8.370 nan 0.000 0.452 161 S N -0.011 115.691 115.700 0.004 0.000 2.345 161 S HA -0.061 4.408 4.470 -0.001 0.000 0.220 161 S C 2.183 176.788 174.600 0.009 0.000 1.031 161 S CA 0.397 58.598 58.200 0.001 0.000 0.996 161 S CB -0.158 63.026 63.200 -0.027 0.000 0.882 161 S HN 0.254 nan 8.310 nan 0.000 0.445 162 I N 1.177 121.717 120.570 -0.051 0.000 2.118 162 I HA -0.293 3.877 4.170 -0.001 0.000 0.241 162 I C 2.770 178.987 176.117 0.167 0.000 1.070 162 I CA 1.493 62.770 61.300 -0.038 0.000 1.327 162 I CB -0.383 37.445 38.000 -0.287 0.000 1.034 162 I HN 0.233 nan 8.210 nan 0.000 0.405 163 R N 0.504 121.109 120.500 0.174 0.000 2.096 163 R HA -0.293 4.046 4.340 -0.001 0.000 0.240 163 R C 2.395 178.814 176.300 0.197 0.000 1.139 163 R CA 2.146 58.396 56.100 0.250 0.000 0.952 163 R CB -0.267 30.141 30.300 0.180 0.000 0.854 163 R HN 0.254 nan 8.270 nan 0.000 0.436 164 Q N -0.188 119.685 119.800 0.121 0.000 2.077 164 Q HA -0.218 4.121 4.340 -0.001 0.000 0.206 164 Q C 1.746 177.776 176.000 0.050 0.000 0.989 164 Q CA 2.142 57.993 55.803 0.081 0.000 0.853 164 Q CB -0.514 28.260 28.738 0.060 0.000 0.907 164 Q HN 0.443 nan 8.270 nan 0.000 0.418 165 F N -1.138 118.743 119.950 -0.115 0.000 2.126 165 F HA -0.174 4.353 4.527 -0.001 0.000 0.299 165 F C 1.245 176.873 175.800 -0.288 0.000 1.096 165 F CA 1.713 59.551 58.000 -0.269 0.000 1.255 165 F CB -0.367 38.366 39.000 -0.445 0.000 0.997 165 F HN 0.182 nan 8.300 nan 0.000 0.479 166 W N 0.370 121.684 121.300 0.023 0.000 2.418 166 W HA -0.032 4.628 4.660 -0.001 0.000 0.292 166 W C 2.346 178.822 176.519 -0.072 0.000 1.213 166 W CA 0.897 58.209 57.345 -0.055 0.000 1.283 166 W CB -0.514 28.973 29.460 0.045 0.000 1.119 166 W HN -0.026 nan 8.180 nan 0.000 0.542 167 I N 0.546 121.198 120.570 0.136 0.000 2.163 167 I HA -0.338 3.831 4.170 -0.001 0.000 0.243 167 I C 1.930 178.045 176.117 -0.004 0.000 1.085 167 I CA 1.521 62.863 61.300 0.070 0.000 1.347 167 I CB -0.579 37.461 38.000 0.066 0.000 1.044 167 I HN -0.076 nan 8.210 nan 0.000 0.408 168 D N -0.443 119.915 120.400 -0.070 0.000 2.123 168 D HA -0.252 4.387 4.640 -0.001 0.000 0.196 168 D C 1.977 178.196 176.300 -0.135 0.000 0.992 168 D CA 1.387 55.317 54.000 -0.116 0.000 0.833 168 D CB -0.632 40.084 40.800 -0.140 0.000 0.954 168 D HN 0.504 nan 8.370 nan 0.000 0.455 169 H N -0.140 118.717 119.070 -0.354 0.000 2.387 169 H HA -0.085 4.471 4.556 -0.001 0.000 0.299 169 H C 1.714 176.994 175.328 -0.080 0.000 1.090 169 H CA 1.200 57.077 56.048 -0.285 0.000 1.332 169 H CB 0.162 29.704 29.762 -0.366 0.000 1.386 169 H HN 0.140 nan 8.280 nan 0.000 0.516 170 C N 0.875 120.059 119.300 -0.192 0.000 2.486 170 C HA -0.001 4.458 4.460 -0.001 0.000 0.279 170 C C 2.705 177.612 174.990 -0.139 0.000 1.302 170 C CA 0.463 59.354 59.018 -0.213 0.000 1.720 170 C CB -0.497 27.206 27.740 -0.061 0.000 2.030 170 C HN 0.561 nan 8.230 nan 0.000 0.490 171 K N 1.526 121.877 120.400 -0.083 0.000 2.032 171 K HA -0.146 4.174 4.320 -0.001 0.000 0.209 171 K C 2.242 178.791 176.600 -0.085 0.000 1.048 171 K CA 1.719 57.969 56.287 -0.063 0.000 0.927 171 K CB -0.353 32.125 32.500 -0.037 0.000 0.712 171 K HN 0.475 nan 8.250 nan 0.000 0.441 172 A N 1.175 123.946 122.820 -0.081 0.000 1.933 172 A HA -0.164 4.155 4.320 -0.001 0.000 0.218 172 A C 2.189 179.731 177.584 -0.071 0.000 1.175 172 A CA 1.899 53.904 52.037 -0.054 0.000 0.628 172 A CB -0.524 18.480 19.000 0.006 0.000 0.814 172 A HN 0.210 nan 8.150 nan 0.000 0.444 173 S N -0.136 115.496 115.700 -0.113 0.000 2.383 173 S HA -0.194 4.276 4.470 -0.001 0.000 0.229 173 S C 1.988 176.558 174.600 -0.050 0.000 1.030 173 S CA 1.424 59.611 58.200 -0.021 0.000 1.002 173 S CB -0.355 62.745 63.200 -0.166 0.000 0.829 173 S HN 0.642 nan 8.310 nan 0.000 0.467 174 R N 1.156 121.579 120.500 -0.127 0.000 2.091 174 R HA -0.047 4.292 4.340 -0.001 0.000 0.238 174 R C 2.534 178.614 176.300 -0.367 0.000 1.136 174 R CA 1.337 57.262 56.100 -0.291 0.000 0.959 174 R CB -0.309 29.821 30.300 -0.283 0.000 0.856 174 R HN 0.394 nan 8.270 nan 0.000 0.437 175 R N 0.188 120.550 120.500 -0.230 0.000 2.096 175 R HA -0.067 4.272 4.340 -0.001 0.000 0.235 175 R C 2.296 178.477 176.300 -0.198 0.000 1.127 175 R CA 1.197 57.189 56.100 -0.181 0.000 0.968 175 R CB -0.372 29.858 30.300 -0.117 0.000 0.861 175 R HN 0.060 nan 8.270 nan 0.000 0.440 176 V N 0.315 120.045 119.914 -0.306 0.000 2.427 176 V HA -0.240 3.879 4.120 -0.001 0.000 0.248 176 V C 2.397 178.026 176.094 -0.774 0.000 1.051 176 V CA 1.957 63.931 62.300 -0.544 0.000 1.048 176 V CB -0.278 30.950 31.823 -0.992 0.000 0.666 176 V HN 0.340 nan 8.190 nan 0.000 0.456 177 S N -0.080 115.233 115.700 -0.645 0.000 2.348 177 S HA -0.182 4.288 4.470 -0.001 0.000 0.221 177 S C 2.204 176.732 174.600 -0.121 0.000 1.033 177 S CA 1.602 59.536 58.200 -0.442 0.000 1.010 177 S CB -0.385 62.836 63.200 0.036 0.000 0.891 177 S HN 0.611 nan 8.310 nan 0.000 0.442 178 A N 0.215 122.978 122.820 -0.094 0.000 1.948 178 A HA -0.132 4.187 4.320 -0.001 0.000 0.220 178 A C 2.032 179.612 177.584 -0.008 0.000 1.177 178 A CA 1.958 54.010 52.037 0.024 0.000 0.636 178 A CB -1.150 17.835 19.000 -0.026 0.000 0.815 178 A HN 0.847 nan 8.150 nan 0.000 0.449 179 Y N -0.814 119.403 120.300 -0.139 0.000 2.242 179 Y HA -0.137 4.413 4.550 -0.001 0.000 0.291 179 Y C 1.847 177.786 175.900 0.065 0.000 1.137 179 Y CA 1.233 59.287 58.100 -0.076 0.000 1.181 179 Y CB -0.463 37.956 38.460 -0.067 0.000 0.989 179 Y HN 0.220 nan 8.280 nan 0.000 0.527 180 F N 0.899 120.629 119.950 -0.366 0.000 2.065 180 F HA -0.115 4.412 4.527 -0.001 0.000 0.298 180 F C 2.717 178.357 175.800 -0.268 0.000 1.112 180 F CA 1.412 59.184 58.000 -0.379 0.000 1.212 180 F CB -1.389 37.493 39.000 -0.197 0.000 0.975 180 F HN 0.194 nan 8.300 nan 0.000 0.476 181 G N -0.975 107.868 108.800 0.072 0.000 2.422 181 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.218 181 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.218 181 G C 1.621 176.466 174.900 -0.093 0.000 1.140 181 G CA 0.640 45.776 45.100 0.059 0.000 0.775 181 G HN 0.362 nan 8.290 nan 0.000 0.545 182 E N -0.237 119.704 120.200 -0.432 0.000 2.110 182 E HA -0.130 4.219 4.350 -0.001 0.000 0.193 182 E C 2.713 179.178 176.600 -0.225 0.000 0.988 182 E CA 0.960 57.018 56.400 -0.570 0.000 0.804 182 E CB 0.050 29.449 29.700 -0.501 0.000 0.745 182 E HN 0.336 nan 8.360 nan 0.000 0.458 183 Q N -0.315 119.333 119.800 -0.253 0.000 2.163 183 Q HA 0.016 4.356 4.340 -0.001 0.000 0.198 183 Q C 2.205 178.123 176.000 -0.137 0.000 0.954 183 Q CA 0.723 56.405 55.803 -0.202 0.000 0.851 183 Q CB 0.251 28.771 28.738 -0.363 0.000 0.928 183 Q HN 0.348 nan 8.270 nan 0.000 0.459 184 L N -0.981 120.161 121.223 -0.136 0.000 2.477 184 L HA 0.179 4.519 4.340 -0.001 0.000 0.220 184 L C 1.003 177.852 176.870 -0.034 0.000 1.106 184 L CA 0.555 55.340 54.840 -0.091 0.000 0.851 184 L CB -0.042 41.949 42.059 -0.112 0.000 0.994 184 L HN 0.328 nan 8.230 nan 0.000 0.462 185 G N 0.838 109.639 108.800 0.002 0.000 2.160 185 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.244 185 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.244 185 G C 0.193 175.129 174.900 0.061 0.000 1.022 185 G CA 0.514 45.643 45.100 0.049 0.000 0.741 185 G HN 0.303 nan 8.290 nan 0.000 0.508 186 T N 0.161 114.758 114.554 0.072 0.000 2.993 186 T HA 0.615 4.964 4.350 -0.001 0.000 0.312 186 T C -2.924 171.842 174.700 0.110 0.000 1.115 186 T CA -0.940 61.207 62.100 0.078 0.000 1.027 186 T CB 2.340 71.237 68.868 0.050 0.000 1.116 186 T HN -0.014 nan 8.240 nan 0.000 0.464 187 P HA 0.243 nan 4.420 nan 0.000 0.269 187 P C -0.995 176.365 177.300 0.100 0.000 1.209 187 P CA -0.251 62.920 63.100 0.118 0.000 0.776 187 P CB 0.530 32.271 31.700 0.067 0.000 0.876 188 S N 2.094 117.872 115.700 0.131 0.000 2.442 188 S HA 0.358 4.827 4.470 -0.001 0.000 0.297 188 S C -0.391 174.235 174.600 0.043 0.000 1.131 188 S CA -0.680 57.610 58.200 0.150 0.000 1.092 188 S CB 0.177 63.556 63.200 0.298 0.000 0.998 188 S HN 0.118 nan 8.310 nan 0.000 0.478 189 V N 6.537 126.436 119.914 -0.025 0.000 2.461 189 V HA 0.326 4.445 4.120 -0.001 0.000 0.275 189 V C 0.391 176.468 176.094 -0.028 0.000 1.047 189 V CA -0.373 61.836 62.300 -0.153 0.000 0.955 189 V CB 1.093 32.737 31.823 -0.299 0.000 0.988 189 V HN 0.988 nan 8.190 nan 0.000 0.471 190 M N 6.450 126.025 119.600 -0.040 0.000 2.055 190 M HA 0.334 4.814 4.480 -0.001 0.000 0.346 190 M C -0.166 176.125 176.300 -0.015 0.000 1.074 190 M CA -0.144 55.180 55.300 0.041 0.000 1.009 190 M CB 0.185 32.893 32.600 0.180 0.000 1.423 190 M HN 0.760 nan 8.290 nan 0.000 0.410 191 N N 5.719 124.398 118.700 -0.034 0.000 2.458 191 N HA 0.253 4.992 4.740 -0.001 0.000 0.270 191 N C -1.185 174.302 175.510 -0.037 0.000 1.102 191 N CA -0.146 52.882 53.050 -0.038 0.000 0.967 191 N CB 0.874 39.366 38.487 0.008 0.000 1.078 191 N HN 0.716 nan 8.380 nan 0.000 0.471 192 I N 3.917 124.466 120.570 -0.034 0.000 2.330 192 I HA 0.176 4.345 4.170 -0.001 0.000 0.286 192 I C -0.865 175.265 176.117 0.022 0.000 1.025 192 I CA -0.655 60.634 61.300 -0.019 0.000 1.197 192 I CB 0.554 38.531 38.000 -0.038 0.000 1.358 192 I HN 0.528 nan 8.210 nan 0.000 0.467 193 W N 9.889 131.154 121.300 -0.058 0.000 2.619 193 W HA 0.643 5.302 4.660 -0.001 0.000 0.327 193 W C -1.056 175.461 176.519 -0.003 0.000 1.027 193 W CA -0.774 56.551 57.345 -0.033 0.000 1.233 193 W CB 1.116 30.583 29.460 0.012 0.000 1.370 193 W HN 0.342 nan 8.180 nan 0.000 0.453 194 I N 5.365 125.305 120.570 -1.049 0.000 2.693 194 I HA 0.681 4.850 4.170 -0.001 0.000 0.303 194 I C -2.067 173.068 176.117 -1.636 0.000 1.025 194 I CA -2.878 57.769 61.300 -1.089 0.000 1.086 194 I CB 2.951 40.599 38.000 -0.585 0.000 1.268 194 I HN 0.270 nan 8.210 nan 0.000 0.440 195 P HA 0.148 nan 4.420 nan 0.000 0.264 195 P C -0.609 176.322 177.300 -0.616 0.000 1.259 195 P CA 0.046 62.606 63.100 -0.899 0.000 0.841 195 P CB -0.120 31.245 31.700 -0.559 0.000 1.232 196 D N 1.171 121.176 120.400 -0.659 0.000 2.752 196 D HA 0.276 4.916 4.640 -0.001 0.000 0.225 196 D C 1.348 177.237 176.300 -0.685 0.000 1.104 196 D CA 1.649 55.225 54.000 -0.707 0.000 0.832 196 D CB -0.124 40.385 40.800 -0.485 0.000 1.161 196 D HN 0.243 nan 8.370 nan 0.000 0.505 197 G N 0.437 108.718 108.800 -0.866 0.000 2.327 197 G HA2 0.388 4.347 3.960 -0.001 0.000 0.291 197 G HA3 0.388 4.347 3.960 -0.001 0.000 0.291 197 G C -1.496 173.189 174.900 -0.359 0.000 1.290 197 G CA -0.967 43.753 45.100 -0.632 0.000 0.857 197 G HN 0.272 nan 8.290 nan 0.000 0.520 198 M N 0.453 120.031 119.600 -0.038 0.000 2.535 198 M HA 0.392 4.872 4.480 -0.001 0.000 0.314 198 M C 1.043 177.396 176.300 0.088 0.000 1.153 198 M CA -0.795 54.585 55.300 0.133 0.000 0.924 198 M CB 2.410 35.210 32.600 0.332 0.000 1.710 198 M HN 0.810 nan 8.290 nan 0.000 0.451 199 K N 0.889 121.330 120.400 0.069 0.000 2.007 199 K HA -0.068 4.252 4.320 -0.001 0.000 0.206 199 K C 0.250 176.887 176.600 0.061 0.000 1.047 199 K CA 1.429 57.748 56.287 0.053 0.000 0.937 199 K CB 0.415 32.936 32.500 0.035 0.000 0.718 199 K HN 0.599 nan 8.250 nan 0.000 0.438 200 D N -0.666 119.773 120.400 0.065 0.000 2.654 200 D HA 0.198 4.837 4.640 -0.001 0.000 0.255 200 D C -0.419 175.911 176.300 0.050 0.000 1.101 200 D CA -0.830 53.198 54.000 0.047 0.000 1.116 200 D CB 0.993 41.810 40.800 0.030 0.000 1.348 200 D HN -0.051 nan 8.370 nan 0.000 0.609 201 I N 1.746 122.331 120.570 0.025 0.000 3.192 201 I HA -0.110 4.060 4.170 -0.001 0.000 0.314 201 I C 0.651 176.764 176.117 -0.006 0.000 1.243 201 I CA 0.971 62.275 61.300 0.007 0.000 1.404 201 I CB -1.803 36.194 38.000 -0.004 0.000 1.374 201 I HN 0.087 nan 8.210 nan 0.000 0.522 202 T N 6.372 120.904 114.554 -0.037 0.000 2.909 202 T HA 0.352 4.701 4.350 -0.001 0.000 0.286 202 T C 1.403 176.029 174.700 -0.122 0.000 1.002 202 T CA -0.584 61.460 62.100 -0.094 0.000 1.074 202 T CB 2.641 71.369 68.868 -0.232 0.000 0.984 202 T HN 0.399 nan 8.240 nan 0.000 0.495 203 V N 0.645 120.493 119.914 -0.110 0.000 2.795 203 V HA 0.109 4.228 4.120 -0.001 0.000 0.243 203 V C 0.651 176.666 176.094 -0.131 0.000 1.069 203 V CA 0.905 63.146 62.300 -0.098 0.000 1.089 203 V CB 0.144 31.927 31.823 -0.067 0.000 0.756 203 V HN 0.812 nan 8.190 nan 0.000 0.471 204 D N -0.336 119.964 120.400 -0.166 0.000 2.412 204 D HA 0.264 4.903 4.640 -0.001 0.000 0.276 204 D C 1.097 177.244 176.300 -0.256 0.000 1.196 204 D CA -0.282 53.617 54.000 -0.168 0.000 0.905 204 D CB 0.702 41.439 40.800 -0.105 0.000 1.081 204 D HN 0.113 nan 8.370 nan 0.000 0.502 205 R N 1.248 121.520 120.500 -0.380 0.000 2.280 205 R HA -0.017 4.322 4.340 -0.001 0.000 0.207 205 R C 1.698 177.950 176.300 -0.079 0.000 1.043 205 R CA 0.278 56.074 56.100 -0.507 0.000 1.006 205 R CB 0.317 30.318 30.300 -0.498 0.000 0.885 205 R HN 0.285 nan 8.270 nan 0.000 0.467 206 L N 0.754 121.943 121.223 -0.057 0.000 1.993 206 L HA -0.003 4.336 4.340 -0.001 0.000 0.206 206 L C 2.284 179.173 176.870 0.032 0.000 1.074 206 L CA 1.983 56.829 54.840 0.010 0.000 0.746 206 L CB -0.902 41.156 42.059 -0.001 0.000 0.896 206 L HN 0.097 nan 8.230 nan 0.000 0.435 207 A N 0.181 123.004 122.820 0.006 0.000 1.927 207 A HA -0.176 4.144 4.320 -0.001 0.000 0.220 207 A C -0.057 177.536 177.584 0.015 0.000 1.185 207 A CA 2.346 54.386 52.037 0.006 0.000 0.639 207 A CB -2.278 16.707 19.000 -0.025 0.000 0.820 207 A HN 0.496 nan 8.150 nan 0.000 0.451 208 P HA -0.086 nan 4.420 nan 0.000 0.219 208 P C 1.403 178.700 177.300 -0.005 0.000 1.150 208 P CA 1.169 64.290 63.100 0.035 0.000 0.814 208 P CB -0.090 31.700 31.700 0.150 0.000 0.787 209 R N -0.419 120.089 120.500 0.014 0.000 2.090 209 R HA -0.044 4.295 4.340 -0.001 0.000 0.228 209 R C 2.480 178.850 176.300 0.117 0.000 1.110 209 R CA 1.215 57.284 56.100 -0.052 0.000 0.973 209 R CB -0.502 29.847 30.300 0.081 0.000 0.869 209 R HN 0.310 nan 8.270 nan 0.000 0.440 210 Q N -0.152 119.714 119.800 0.111 0.000 2.119 210 Q HA -0.122 4.218 4.340 -0.001 0.000 0.201 210 Q C 2.041 178.102 176.000 0.101 0.000 0.972 210 Q CA 1.240 57.117 55.803 0.123 0.000 0.847 210 Q CB -0.054 28.734 28.738 0.083 0.000 0.903 210 Q HN 0.261 nan 8.270 nan 0.000 0.433 211 R N 0.296 120.832 120.500 0.060 0.000 2.075 211 R HA -0.122 4.217 4.340 -0.001 0.000 0.232 211 R C 2.288 178.625 176.300 0.063 0.000 1.126 211 R CA 0.898 57.033 56.100 0.059 0.000 0.963 211 R CB -0.379 29.948 30.300 0.046 0.000 0.858 211 R HN 0.153 nan 8.270 nan 0.000 0.435 212 L N 1.141 122.376 121.223 0.020 0.000 2.012 212 L HA -0.184 4.155 4.340 -0.001 0.000 0.210 212 L C 1.990 178.920 176.870 0.099 0.000 1.073 212 L CA 1.608 56.437 54.840 -0.017 0.000 0.748 212 L CB -0.772 41.126 42.059 -0.269 0.000 0.891 212 L HN 0.145 nan 8.230 nan 0.000 0.431 213 L N 0.218 121.591 121.223 0.250 0.000 1.956 213 L HA -0.172 4.168 4.340 -0.001 0.000 0.216 213 L C 2.566 179.560 176.870 0.207 0.000 1.073 213 L CA 2.487 57.499 54.840 0.288 0.000 0.762 213 L CB -1.556 40.685 42.059 0.303 0.000 0.889 213 L HN 0.328 nan 8.230 nan 0.000 0.433 214 A N -0.557 122.361 122.820 0.162 0.000 1.908 214 A HA -0.166 4.153 4.320 -0.001 0.000 0.218 214 A C 2.436 180.091 177.584 0.119 0.000 1.181 214 A CA 2.410 54.527 52.037 0.133 0.000 0.627 214 A CB -1.324 17.737 19.000 0.102 0.000 0.818 214 A HN 0.670 nan 8.150 nan 0.000 0.445 215 A N -0.558 122.321 122.820 0.099 0.000 1.933 215 A HA -0.005 4.314 4.320 -0.001 0.000 0.218 215 A C 2.159 179.792 177.584 0.082 0.000 1.175 215 A CA 1.440 53.529 52.037 0.087 0.000 0.628 215 A CB -0.557 18.492 19.000 0.082 0.000 0.814 215 A HN 0.476 nan 8.150 nan 0.000 0.444 216 L N -0.610 120.643 121.223 0.051 0.000 2.131 216 L HA -0.186 4.154 4.340 -0.001 0.000 0.210 216 L C 2.071 179.060 176.870 0.198 0.000 1.092 216 L CA 1.248 56.096 54.840 0.012 0.000 0.759 216 L CB -0.548 41.256 42.059 -0.426 0.000 0.903 216 L HN 0.291 nan 8.230 nan 0.000 0.435 217 D N -0.091 120.458 120.400 0.248 0.000 2.092 217 D HA -0.243 4.396 4.640 -0.001 0.000 0.193 217 D C 2.045 178.440 176.300 0.157 0.000 0.994 217 D CA 1.333 55.484 54.000 0.252 0.000 0.828 217 D CB 0.018 40.945 40.800 0.211 0.000 0.963 217 D HN 0.336 nan 8.370 nan 0.000 0.450 218 E N 0.219 120.492 120.200 0.121 0.000 2.110 218 E HA -0.127 4.222 4.350 -0.001 0.000 0.193 218 E C 2.036 178.685 176.600 0.080 0.000 0.988 218 E CA 0.652 57.105 56.400 0.088 0.000 0.804 218 E CB 0.149 29.894 29.700 0.075 0.000 0.745 218 E HN -0.002 nan 8.360 nan 0.000 0.458 219 V N 2.098 122.065 119.914 0.088 0.000 2.469 219 V HA -0.254 3.866 4.120 -0.001 0.000 0.251 219 V C 2.357 178.502 176.094 0.085 0.000 1.064 219 V CA 1.927 64.270 62.300 0.072 0.000 1.066 219 V CB -0.629 31.235 31.823 0.069 0.000 0.667 219 V HN 0.514 nan 8.190 nan 0.000 0.461 220 I N -1.064 119.581 120.570 0.126 0.000 3.427 220 I HA 0.014 4.183 4.170 -0.001 0.000 0.288 220 I C 2.452 178.624 176.117 0.093 0.000 1.249 220 I CA 0.962 62.338 61.300 0.127 0.000 1.421 220 I CB -0.480 37.624 38.000 0.172 0.000 1.086 220 I HN 0.315 nan 8.210 nan 0.000 0.448 221 S N 1.336 117.085 115.700 0.082 0.000 2.429 221 S HA -0.352 4.117 4.470 -0.001 0.000 0.251 221 S C 1.097 175.726 174.600 0.047 0.000 1.104 221 S CA 1.599 59.835 58.200 0.060 0.000 1.130 221 S CB -1.200 62.031 63.200 0.052 0.000 1.000 221 S HN 0.764 nan 8.310 nan 0.000 0.449 222 E N 2.576 122.799 120.200 0.038 0.000 2.383 222 E HA 0.029 4.378 4.350 -0.001 0.000 0.257 222 E C -0.643 175.978 176.600 0.035 0.000 1.079 222 E CA -0.233 56.182 56.400 0.025 0.000 0.934 222 E CB 0.279 29.980 29.700 0.002 0.000 0.978 222 E HN 0.204 nan 8.360 nan 0.000 0.462 223 K N 5.111 125.533 120.400 0.037 0.000 2.383 223 K HA 0.216 4.536 4.320 -0.001 0.000 0.286 223 K C -0.122 176.509 176.600 0.052 0.000 1.051 223 K CA 0.026 56.342 56.287 0.049 0.000 0.974 223 K CB 0.401 32.925 32.500 0.041 0.000 0.968 223 K HN 0.466 nan 8.250 nan 0.000 0.475 224 L N 1.651 122.924 121.223 0.083 0.000 2.319 224 L HA 0.341 4.680 4.340 -0.001 0.000 0.267 224 L C 0.444 177.388 176.870 0.123 0.000 1.011 224 L CA -1.314 53.585 54.840 0.098 0.000 0.818 224 L CB 1.023 43.118 42.059 0.059 0.000 1.316 224 L HN 0.452 nan 8.230 nan 0.000 0.432 225 N N 2.891 121.658 118.700 0.113 0.000 2.427 225 N HA 0.084 4.823 4.740 -0.001 0.000 0.269 225 N C -1.720 173.798 175.510 0.013 0.000 1.235 225 N CA -1.640 51.421 53.050 0.019 0.000 0.934 225 N CB 0.872 39.310 38.487 -0.082 0.000 1.121 225 N HN 0.303 nan 8.380 nan 0.000 0.480 226 P HA -0.127 nan 4.420 nan 0.000 0.224 226 P C 0.366 177.647 177.300 -0.032 0.000 1.142 226 P CA 0.925 64.022 63.100 -0.004 0.000 0.778 226 P CB 0.097 31.791 31.700 -0.011 0.000 0.764 227 A N -1.855 120.886 122.820 -0.132 0.000 2.218 227 A HA -0.017 4.302 4.320 -0.001 0.000 0.209 227 A C 1.649 179.218 177.584 -0.025 0.000 1.168 227 A CA 0.608 52.567 52.037 -0.131 0.000 0.804 227 A CB -1.031 17.842 19.000 -0.212 0.000 0.834 227 A HN 0.285 nan 8.150 nan 0.000 0.482 228 H N -3.268 115.848 119.070 0.076 0.000 2.788 228 H HA 0.196 4.752 4.556 -0.001 0.000 0.262 228 H C 0.119 175.537 175.328 0.150 0.000 0.968 228 H CA 0.368 56.475 56.048 0.098 0.000 1.218 228 H CB 0.479 30.303 29.762 0.105 0.000 1.443 228 H HN 0.641 nan 8.280 nan 0.000 0.478 229 H N -0.275 118.885 119.070 0.150 0.000 2.996 229 H HA 0.476 5.031 4.556 -0.001 0.000 0.368 229 H C -1.814 173.534 175.328 0.034 0.000 1.185 229 H CA -0.724 55.371 56.048 0.080 0.000 1.160 229 H CB 1.329 31.140 29.762 0.080 0.000 1.820 229 H HN -0.009 nan 8.280 nan 0.000 0.547 230 I N 3.720 123.789 120.570 -0.835 0.000 2.534 230 I HA 0.193 4.363 4.170 -0.001 0.000 0.288 230 I C -1.006 174.730 176.117 -0.635 0.000 1.077 230 I CA -0.824 60.097 61.300 -0.631 0.000 1.051 230 I CB 1.937 39.733 38.000 -0.339 0.000 1.234 230 I HN 0.584 nan 8.210 nan 0.000 0.425 231 D N 6.160 126.327 120.400 -0.389 0.000 2.264 231 D HA 0.564 5.203 4.640 -0.001 0.000 0.250 231 D C -0.315 175.950 176.300 -0.060 0.000 1.113 231 D CA 0.031 53.965 54.000 -0.110 0.000 0.871 231 D CB 2.141 42.980 40.800 0.067 0.000 1.167 231 D HN 0.540 nan 8.370 nan 0.000 0.447 232 A N 1.546 124.335 122.820 -0.050 0.000 2.401 232 A HA 0.644 4.963 4.320 -0.001 0.000 0.310 232 A C -0.437 177.103 177.584 -0.073 0.000 1.075 232 A CA -0.772 51.232 52.037 -0.054 0.000 0.746 232 A CB 1.542 20.487 19.000 -0.092 0.000 1.277 232 A HN 0.358 nan 8.150 nan 0.000 0.425 233 V N -0.526 119.323 119.914 -0.108 0.000 2.513 233 V HA 0.766 4.886 4.120 -0.001 0.000 0.299 233 V C -0.339 175.488 176.094 -0.445 0.000 1.035 233 V CA -0.585 61.511 62.300 -0.339 0.000 0.889 233 V CB 1.439 33.033 31.823 -0.381 0.000 0.988 233 V HN 0.958 nan 8.190 nan 0.000 0.440 234 E N 3.351 123.238 120.200 -0.522 0.000 2.155 234 E HA 0.547 4.897 4.350 -0.001 0.000 0.264 234 E C -0.104 176.456 176.600 -0.066 0.000 0.886 234 E CA -0.389 55.872 56.400 -0.231 0.000 0.752 234 E CB 1.688 31.337 29.700 -0.086 0.000 1.133 234 E HN 1.059 nan 8.360 nan 0.000 0.414 235 S N 4.187 119.980 115.700 0.154 0.000 2.652 235 S HA 0.526 4.996 4.470 -0.001 0.000 0.270 235 S C -0.224 174.558 174.600 0.303 0.000 1.243 235 S CA -0.732 57.725 58.200 0.428 0.000 0.999 235 S CB 1.714 65.183 63.200 0.448 0.000 0.973 235 S HN 0.537 nan 8.310 nan 0.000 0.544 236 K N 0.097 120.590 120.400 0.155 0.000 2.551 236 K HA 0.378 4.698 4.320 -0.001 0.000 0.269 236 K C -0.279 176.215 176.600 -0.177 0.000 0.949 236 K CA -0.752 55.461 56.287 -0.123 0.000 0.849 236 K CB 1.752 34.154 32.500 -0.165 0.000 1.411 236 K HN 0.528 nan 8.250 nan 0.000 0.432 237 L N 3.338 124.401 121.223 -0.267 0.000 2.168 237 L HA 0.388 4.727 4.340 -0.001 0.000 0.203 237 L C -0.155 176.769 176.870 0.090 0.000 1.078 237 L CA 1.226 56.007 54.840 -0.098 0.000 0.780 237 L CB 0.119 42.075 42.059 -0.173 0.000 0.939 237 L HN 0.610 nan 8.230 nan 0.000 0.451 238 F N -2.249 117.581 119.950 -0.200 0.000 2.744 238 F HA 0.696 5.222 4.527 -0.001 0.000 0.311 238 F C -0.540 175.210 175.800 -0.084 0.000 1.144 238 F CA -0.466 57.460 58.000 -0.123 0.000 0.938 238 F CB 0.351 39.300 39.000 -0.086 0.000 1.292 238 F HN -0.058 nan 8.300 nan 0.000 0.444 239 G N 2.183 110.847 108.800 -0.225 0.000 2.574 239 G HA2 0.589 4.549 3.960 -0.001 0.000 0.299 239 G HA3 0.589 4.549 3.960 -0.001 0.000 0.299 239 G C -1.331 173.550 174.900 -0.032 0.000 1.298 239 G CA -1.185 43.767 45.100 -0.247 0.000 0.952 239 G HN 0.721 nan 8.290 nan 0.000 0.477 240 I N 1.690 122.248 120.570 -0.021 0.000 2.671 240 I HA 0.210 4.379 4.170 -0.001 0.000 0.285 240 I C 1.508 177.620 176.117 -0.007 0.000 1.148 240 I CA 1.786 63.076 61.300 -0.016 0.000 1.386 240 I CB -0.133 37.790 38.000 -0.129 0.000 1.406 240 I HN 1.118 nan 8.210 nan 0.000 0.540 241 G N 5.290 114.097 108.800 0.012 0.000 2.179 241 G HA2 -0.095 3.864 3.960 -0.001 0.000 0.220 241 G HA3 -0.095 3.864 3.960 -0.001 0.000 0.220 241 G C 0.394 175.290 174.900 -0.006 0.000 0.990 241 G CA 0.017 45.115 45.100 -0.002 0.000 0.646 241 G HN 1.098 nan 8.290 nan 0.000 0.517 242 A N -0.428 122.402 122.820 0.016 0.000 3.214 242 A HA 0.681 5.000 4.320 -0.001 0.000 0.203 242 A C 0.608 178.240 177.584 0.079 0.000 0.960 242 A CA 0.862 52.896 52.037 -0.006 0.000 1.113 242 A CB 0.195 19.138 19.000 -0.094 0.000 1.280 242 A HN 0.168 nan 8.150 nan 0.000 0.573 243 E N -0.317 119.964 120.200 0.134 0.000 2.274 243 E HA -0.021 4.328 4.350 -0.001 0.000 0.194 243 E C 1.827 178.496 176.600 0.115 0.000 0.996 243 E CA 1.413 57.938 56.400 0.209 0.000 0.840 243 E CB 0.182 29.948 29.700 0.111 0.000 0.772 243 E HN 0.459 nan 8.360 nan 0.000 0.491 244 S N -0.766 114.995 115.700 0.103 0.000 2.439 244 S HA 0.062 4.531 4.470 -0.001 0.000 0.224 244 S C -0.490 174.225 174.600 0.191 0.000 1.029 244 S CA 0.172 58.439 58.200 0.111 0.000 0.946 244 S CB 0.192 63.453 63.200 0.102 0.000 0.797 244 S HN 0.353 nan 8.310 nan 0.000 0.504 245 Y N 0.704 121.018 120.300 0.023 0.000 2.482 245 Y HA 0.474 5.023 4.550 -0.001 0.000 0.334 245 Y C -1.652 174.242 175.900 -0.010 0.000 1.091 245 Y CA -0.940 57.169 58.100 0.015 0.000 1.027 245 Y CB 0.928 39.399 38.460 0.019 0.000 1.306 245 Y HN -0.241 nan 8.280 nan 0.000 0.446 246 T N 5.990 120.286 114.554 -0.430 0.000 2.809 246 T HA 0.333 4.683 4.350 -0.001 0.000 0.284 246 T C 0.878 175.161 174.700 -0.695 0.000 0.992 246 T CA -0.503 61.276 62.100 -0.536 0.000 0.957 246 T CB 1.465 70.204 68.868 -0.215 0.000 0.942 246 T HN 0.615 nan 8.240 nan 0.000 0.439 247 V N 2.770 122.162 119.914 -0.869 0.000 2.231 247 V HA -0.088 4.031 4.120 -0.001 0.000 0.248 247 V C 2.044 177.776 176.094 -0.603 0.000 1.054 247 V CA 2.004 63.941 62.300 -0.605 0.000 1.015 247 V CB -0.813 30.726 31.823 -0.474 0.000 0.638 247 V HN 1.011 nan 8.190 nan 0.000 0.444 248 G N 1.623 110.067 108.800 -0.593 0.000 3.008 248 G HA2 0.337 4.296 3.960 -0.001 0.000 0.272 248 G HA3 0.337 4.296 3.960 -0.001 0.000 0.272 248 G C 0.348 175.178 174.900 -0.117 0.000 0.764 248 G CA 0.484 45.216 45.100 -0.612 0.000 2.029 248 G HN 0.612 nan 8.290 nan 0.000 0.587 249 S N 1.197 116.853 115.700 -0.072 0.000 2.686 249 S HA 0.180 4.649 4.470 -0.001 0.000 0.270 249 S C 1.586 176.349 174.600 0.271 0.000 1.194 249 S CA -0.315 57.955 58.200 0.117 0.000 0.990 249 S CB 1.179 64.453 63.200 0.124 0.000 1.029 249 S HN 0.361 nan 8.310 nan 0.000 0.560 250 N N 1.301 120.168 118.700 0.278 0.000 2.021 250 N HA -0.234 4.505 4.740 -0.001 0.000 0.198 250 N C 1.346 177.041 175.510 0.309 0.000 1.041 250 N CA 2.397 55.668 53.050 0.368 0.000 0.862 250 N CB -0.958 37.789 38.487 0.432 0.000 1.048 250 N HN 0.731 nan 8.380 nan 0.000 0.427 251 E N -0.672 119.670 120.200 0.237 0.000 2.153 251 E HA -0.083 4.266 4.350 -0.001 0.000 0.194 251 E C 1.732 178.411 176.600 0.132 0.000 0.988 251 E CA 0.817 57.313 56.400 0.162 0.000 0.811 251 E CB -0.532 29.245 29.700 0.129 0.000 0.746 251 E HN 0.543 nan 8.360 nan 0.000 0.466 252 F N -0.465 119.494 119.950 0.015 0.000 2.102 252 F HA -0.232 4.295 4.527 -0.000 0.000 0.298 252 F C 1.703 177.464 175.800 -0.066 0.000 1.105 252 F CA 1.520 59.460 58.000 -0.100 0.000 1.239 252 F CB -0.184 38.657 39.000 -0.265 0.000 0.991 252 F HN 0.052 nan 8.300 nan 0.000 0.474 253 Y N -1.155 119.295 120.300 0.250 0.000 2.395 253 Y HA -0.183 4.366 4.550 -0.001 0.000 0.293 253 Y C 2.334 178.301 175.900 0.112 0.000 1.123 253 Y CA 0.699 58.920 58.100 0.201 0.000 1.227 253 Y CB -0.217 38.406 38.460 0.271 0.000 1.012 253 Y HN 0.186 nan 8.280 nan 0.000 0.552 254 M N 0.315 120.054 119.600 0.231 0.000 2.099 254 M HA -0.050 4.430 4.480 -0.001 0.000 0.262 254 M C 2.299 178.618 176.300 0.031 0.000 1.067 254 M CA 2.075 57.449 55.300 0.123 0.000 1.124 254 M CB -1.069 31.579 32.600 0.081 0.000 1.353 254 M HN 0.163 nan 8.290 nan 0.000 0.410 255 G N -1.184 107.597 108.800 -0.031 0.000 2.491 255 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.218 255 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.218 255 G C 1.510 176.347 174.900 -0.105 0.000 1.180 255 G CA 1.314 46.350 45.100 -0.105 0.000 0.774 255 G HN 0.552 nan 8.290 nan 0.000 0.562 256 Y N 1.830 121.989 120.300 -0.235 0.000 2.070 256 Y HA -0.071 4.479 4.550 -0.000 0.000 0.280 256 Y C 3.097 178.989 175.900 -0.013 0.000 1.148 256 Y CA 1.904 59.910 58.100 -0.156 0.000 1.125 256 Y CB -0.520 37.849 38.460 -0.151 0.000 0.975 256 Y HN 0.258 nan 8.280 nan 0.000 0.492 257 A N -1.092 121.812 122.820 0.141 0.000 1.940 257 A HA -0.218 4.101 4.320 -0.001 0.000 0.219 257 A C 2.220 179.798 177.584 -0.009 0.000 1.176 257 A CA 2.369 54.454 52.037 0.080 0.000 0.631 257 A CB -1.292 17.789 19.000 0.135 0.000 0.814 257 A HN 0.536 nan 8.150 nan 0.000 0.446 258 T N 0.334 114.881 114.554 -0.012 0.000 2.698 258 T HA -0.126 4.224 4.350 -0.001 0.000 0.260 258 T C 2.403 177.067 174.700 -0.060 0.000 1.044 258 T CA 2.049 64.146 62.100 -0.006 0.000 1.149 258 T CB -0.466 68.392 68.868 -0.017 0.000 0.864 258 T HN 0.795 nan 8.240 nan 0.000 0.419 259 S N 1.306 116.929 115.700 -0.127 0.000 2.402 259 S HA -0.030 4.439 4.470 -0.001 0.000 0.229 259 S C 1.844 176.316 174.600 -0.215 0.000 1.021 259 S CA 0.747 58.851 58.200 -0.160 0.000 0.974 259 S CB -0.182 62.911 63.200 -0.178 0.000 0.800 259 S HN 0.198 nan 8.310 nan 0.000 0.484 260 R N 0.558 120.858 120.500 -0.334 0.000 2.397 260 R HA 0.351 4.691 4.340 -0.001 0.000 0.241 260 R C -0.108 176.093 176.300 -0.165 0.000 0.914 260 R CA 0.003 55.907 56.100 -0.326 0.000 1.071 260 R CB -0.286 29.641 30.300 -0.621 0.000 1.116 260 R HN 0.262 nan 8.270 nan 0.000 0.524 261 Q N 0.307 120.043 119.800 -0.107 0.000 2.463 261 Q HA -0.165 4.174 4.340 -0.001 0.000 0.299 261 Q C -0.278 175.712 176.000 -0.017 0.000 1.353 261 Q CA 1.539 57.318 55.803 -0.041 0.000 0.828 261 Q CB -2.489 26.233 28.738 -0.026 0.000 1.157 261 Q HN 0.551 nan 8.270 nan 0.000 0.436 262 T N -3.724 110.830 114.554 -0.001 0.000 2.922 262 T HA 0.836 5.185 4.350 -0.001 0.000 0.281 262 T C 0.424 175.145 174.700 0.035 0.000 1.005 262 T CA -0.307 61.813 62.100 0.034 0.000 0.982 262 T CB 2.125 71.058 68.868 0.108 0.000 1.158 262 T HN 0.407 nan 8.240 nan 0.000 0.566 263 A N 0.245 123.075 122.820 0.016 0.000 2.313 263 A HA 0.676 4.996 4.320 -0.001 0.000 0.261 263 A C -0.460 177.141 177.584 0.028 0.000 1.090 263 A CA -0.766 51.282 52.037 0.018 0.000 0.807 263 A CB 0.008 18.998 19.000 -0.016 0.000 1.055 263 A HN 0.974 nan 8.150 nan 0.000 0.492 264 L N 1.169 122.411 121.223 0.032 0.000 2.356 264 L HA 0.567 4.906 4.340 -0.001 0.000 0.277 264 L C -0.620 176.244 176.870 -0.010 0.000 0.996 264 L CA -0.319 54.539 54.840 0.030 0.000 0.822 264 L CB 1.455 43.561 42.059 0.078 0.000 1.256 264 L HN 0.795 nan 8.230 nan 0.000 0.413 265 C N 6.586 125.844 119.300 -0.070 0.000 2.307 265 C HA 0.593 5.053 4.460 -0.001 0.000 0.340 265 C C -0.304 174.635 174.990 -0.084 0.000 1.275 265 C CA -0.789 58.139 59.018 -0.151 0.000 1.811 265 C CB -0.537 27.010 27.740 -0.322 0.000 2.372 265 C HN 0.791 nan 8.230 nan 0.000 0.531 266 L N 6.411 127.601 121.223 -0.056 0.000 2.294 266 L HA 0.405 4.745 4.340 -0.001 0.000 0.283 266 L C -0.176 176.706 176.870 0.020 0.000 1.015 266 L CA -0.055 54.823 54.840 0.062 0.000 0.831 266 L CB 1.028 43.092 42.059 0.008 0.000 1.217 266 L HN 0.681 nan 8.230 nan 0.000 0.420 267 D N 2.686 123.111 120.400 0.041 0.000 2.317 267 D HA 0.253 4.893 4.640 -0.001 0.000 0.234 267 D C 0.795 177.190 176.300 0.157 0.000 1.112 267 D CA -0.225 53.706 54.000 -0.115 0.000 0.840 267 D CB 2.312 42.626 40.800 -0.810 0.000 1.078 267 D HN 0.621 nan 8.370 nan 0.000 0.486 268 A N 2.998 125.878 122.820 0.101 0.000 2.131 268 A HA -0.041 4.278 4.320 -0.001 0.000 0.220 268 A C 1.666 179.348 177.584 0.163 0.000 1.158 268 A CA 1.519 53.631 52.037 0.125 0.000 0.665 268 A CB -0.125 18.895 19.000 0.033 0.000 0.795 268 A HN 0.597 nan 8.150 nan 0.000 0.460 269 G N -2.994 105.885 108.800 0.132 0.000 3.393 269 G HA2 0.206 4.165 3.960 -0.001 0.000 0.255 269 G HA3 0.206 4.165 3.960 -0.001 0.000 0.255 269 G C 0.686 175.693 174.900 0.179 0.000 1.097 269 G CA -0.060 45.099 45.100 0.099 0.000 0.780 269 G HN 0.747 nan 8.290 nan 0.000 0.540 270 H N -0.608 118.433 119.070 -0.050 0.000 2.505 270 H HA 0.314 4.869 4.556 -0.001 0.000 0.289 270 H C -0.205 174.717 175.328 -0.677 0.000 1.052 270 H CA -0.261 55.562 56.048 -0.375 0.000 1.156 270 H CB 0.419 29.838 29.762 -0.570 0.000 1.507 270 H HN 0.266 nan 8.280 nan 0.000 0.548 271 F N -0.962 119.078 119.950 0.150 0.000 2.697 271 F HA 0.280 4.806 4.527 -0.001 0.000 0.386 271 F C 1.152 177.020 175.800 0.113 0.000 1.154 271 F CA -1.066 57.023 58.000 0.148 0.000 1.108 271 F CB 0.588 39.697 39.000 0.181 0.000 1.429 271 F HN 0.054 nan 8.300 nan 0.000 0.509 272 H N 0.336 119.592 119.070 0.310 0.000 2.597 272 H HA 0.187 4.742 4.556 -0.001 0.000 0.370 272 H C -2.161 173.262 175.328 0.157 0.000 1.281 272 H CA -1.185 54.976 56.048 0.188 0.000 1.422 272 H CB 0.290 30.136 29.762 0.139 0.000 1.524 272 H HN 0.038 nan 8.280 nan 0.000 0.607 273 P HA -0.072 nan 4.420 nan 0.000 0.268 273 P C 0.776 178.159 177.300 0.138 0.000 1.205 273 P CA 0.888 64.082 63.100 0.156 0.000 0.771 273 P CB 0.528 32.293 31.700 0.109 0.000 0.858 274 T N -1.280 113.333 114.554 0.098 0.000 9.545 274 T HA -0.302 4.048 4.350 -0.001 0.000 0.344 274 T C 0.311 175.050 174.700 0.066 0.000 1.908 274 T CA 1.231 63.370 62.100 0.064 0.000 3.011 274 T CB -2.318 66.575 68.868 0.042 0.000 2.298 274 T HN 0.578 nan 8.240 nan 0.000 0.992 275 E N 1.527 121.797 120.200 0.117 0.000 2.413 275 E HA 0.445 4.795 4.350 -0.001 0.000 0.263 275 E C 0.203 176.832 176.600 0.048 0.000 1.015 275 E CA 0.016 56.478 56.400 0.104 0.000 0.916 275 E CB 0.914 30.759 29.700 0.241 0.000 0.947 275 E HN 0.911 nan 8.360 nan 0.000 0.440 276 V N 3.141 123.028 119.914 -0.045 0.000 2.709 276 V HA 0.296 4.415 4.120 -0.001 0.000 0.308 276 V C 0.790 176.778 176.094 -0.177 0.000 1.062 276 V CA -0.687 61.564 62.300 -0.080 0.000 0.901 276 V CB 1.304 33.095 31.823 -0.053 0.000 1.003 276 V HN 0.824 nan 8.190 nan 0.000 0.425 277 I N 1.268 121.721 120.570 -0.195 0.000 2.761 277 I HA 0.005 4.174 4.170 -0.001 0.000 0.261 277 I C 2.268 178.297 176.117 -0.148 0.000 1.198 277 I CA 1.562 62.711 61.300 -0.252 0.000 1.482 277 I CB -0.208 37.654 38.000 -0.231 0.000 1.100 277 I HN 0.768 nan 8.210 nan 0.000 0.445 278 S N 1.294 116.933 115.700 -0.102 0.000 2.387 278 S HA -0.322 4.148 4.470 -0.001 0.000 0.230 278 S C 1.664 176.225 174.600 -0.065 0.000 1.035 278 S CA 1.832 59.988 58.200 -0.074 0.000 1.014 278 S CB -0.879 62.282 63.200 -0.065 0.000 0.836 278 S HN 0.712 nan 8.310 nan 0.000 0.466 279 D N 1.619 121.972 120.400 -0.078 0.000 2.144 279 D HA -0.090 4.549 4.640 -0.001 0.000 0.200 279 D C 1.899 178.158 176.300 -0.068 0.000 0.978 279 D CA 1.128 55.090 54.000 -0.064 0.000 0.833 279 D CB -0.160 40.602 40.800 -0.064 0.000 0.961 279 D HN 0.538 nan 8.370 nan 0.000 0.470 280 K N -0.025 120.312 120.400 -0.105 0.000 2.283 280 K HA -0.035 4.285 4.320 -0.001 0.000 0.202 280 K C 2.103 178.669 176.600 -0.056 0.000 1.048 280 K CA 0.595 56.825 56.287 -0.095 0.000 0.948 280 K CB 0.024 32.428 32.500 -0.161 0.000 0.742 280 K HN 0.312 nan 8.250 nan 0.000 0.458 281 I N 1.768 122.304 120.570 -0.057 0.000 2.091 281 I HA -0.365 3.805 4.170 -0.001 0.000 0.239 281 I C 2.601 178.692 176.117 -0.042 0.000 1.061 281 I CA 1.862 63.139 61.300 -0.039 0.000 1.317 281 I CB -0.594 37.388 38.000 -0.030 0.000 1.031 281 I HN 0.222 nan 8.210 nan 0.000 0.401 282 S N 1.092 116.755 115.700 -0.062 0.000 2.402 282 S HA -0.092 4.378 4.470 -0.001 0.000 0.229 282 S C 2.171 176.728 174.600 -0.071 0.000 1.021 282 S CA 0.764 58.890 58.200 -0.125 0.000 0.974 282 S CB -0.604 62.477 63.200 -0.198 0.000 0.800 282 S HN 0.432 nan 8.310 nan 0.000 0.484 283 A N 2.296 125.106 122.820 -0.017 0.000 1.873 283 A HA 0.320 4.640 4.320 -0.001 0.000 0.215 283 A C 2.559 180.227 177.584 0.139 0.000 1.186 283 A CA 1.704 53.776 52.037 0.058 0.000 0.616 283 A CB -1.500 17.535 19.000 0.058 0.000 0.823 283 A HN 0.820 nan 8.150 nan 0.000 0.442 284 A N 0.568 123.443 122.820 0.091 0.000 1.902 284 A HA -0.125 4.195 4.320 -0.001 0.000 0.217 284 A C 2.234 179.882 177.584 0.106 0.000 1.181 284 A CA 1.853 53.969 52.037 0.132 0.000 0.623 284 A CB -0.770 18.274 19.000 0.074 0.000 0.818 284 A HN 0.851 nan 8.150 nan 0.000 0.443 285 M N -1.080 118.530 119.600 0.016 0.000 2.706 285 M HA 0.092 4.571 4.480 -0.001 0.000 0.251 285 M C 0.838 177.080 176.300 -0.096 0.000 1.070 285 M CA 1.386 56.669 55.300 -0.029 0.000 1.073 285 M CB -0.506 32.060 32.600 -0.056 0.000 1.449 285 M HN 0.255 nan 8.290 nan 0.000 0.531 286 L N -1.144 119.981 121.223 -0.165 0.000 2.567 286 L HA 0.111 4.450 4.340 -0.001 0.000 0.225 286 L C 0.969 177.435 176.870 -0.674 0.000 1.119 286 L CA 0.348 54.915 54.840 -0.455 0.000 0.871 286 L CB -0.136 41.508 42.059 -0.691 0.000 1.036 286 L HN 0.313 nan 8.230 nan 0.000 0.459 287 Y N -1.260 119.028 120.300 -0.021 0.000 2.452 287 Y HA 0.213 4.763 4.550 -0.001 0.000 0.262 287 Y C 0.655 176.546 175.900 -0.014 0.000 1.089 287 Y CA -0.681 57.409 58.100 -0.017 0.000 1.262 287 Y CB 0.670 39.122 38.460 -0.013 0.000 1.236 287 Y HN -0.112 nan 8.280 nan 0.000 0.512 288 V N -1.466 118.525 119.914 0.127 0.000 2.555 288 V HA 0.460 4.580 4.120 -0.001 0.000 0.302 288 V C -1.986 174.132 176.094 0.039 0.000 1.038 288 V CA -2.307 60.038 62.300 0.075 0.000 0.887 288 V CB 2.047 33.921 31.823 0.084 0.000 0.991 288 V HN -0.181 nan 8.190 nan 0.000 0.434 289 P HA -0.050 nan 4.420 nan 0.000 0.215 289 P C 0.236 177.558 177.300 0.038 0.000 1.153 289 P CA 1.220 64.334 63.100 0.023 0.000 0.853 289 P CB 0.317 32.029 31.700 0.021 0.000 0.788 290 Q N -1.843 117.990 119.800 0.054 0.000 2.418 290 Q HA 0.615 4.954 4.340 -0.001 0.000 0.282 290 Q C -1.302 174.752 176.000 0.090 0.000 1.044 290 Q CA -0.584 55.273 55.803 0.091 0.000 0.813 290 Q CB 2.310 31.152 28.738 0.173 0.000 1.428 290 Q HN -0.082 nan 8.270 nan 0.000 0.402 291 L N 1.893 123.182 121.223 0.111 0.000 2.346 291 L HA 0.644 4.983 4.340 -0.001 0.000 0.274 291 L C -1.326 175.637 176.870 0.156 0.000 1.007 291 L CA -1.031 53.861 54.840 0.086 0.000 0.818 291 L CB 1.611 43.687 42.059 0.029 0.000 1.284 291 L HN 0.442 nan 8.230 nan 0.000 0.424 292 L N 4.268 125.536 121.223 0.074 0.000 2.333 292 L HA 0.587 4.926 4.340 -0.001 0.000 0.280 292 L C -1.238 175.623 176.870 -0.016 0.000 1.004 292 L CA -0.109 54.769 54.840 0.062 0.000 0.820 292 L CB 1.474 43.515 42.059 -0.029 0.000 1.247 292 L HN 0.404 nan 8.230 nan 0.000 0.416 293 L N 5.475 126.717 121.223 0.032 0.000 2.305 293 L HA 0.422 4.761 4.340 -0.001 0.000 0.284 293 L C -0.478 176.461 176.870 0.114 0.000 1.013 293 L CA -0.542 54.309 54.840 0.017 0.000 0.819 293 L CB 1.258 43.325 42.059 0.013 0.000 1.227 293 L HN 0.651 nan 8.230 nan 0.000 0.417 294 H N 3.002 122.043 119.070 -0.048 0.000 2.908 294 H HA 0.207 4.762 4.556 -0.001 0.000 0.269 294 H C -0.400 174.883 175.328 -0.075 0.000 1.303 294 H CA -0.785 55.218 56.048 -0.076 0.000 1.341 294 H CB 1.058 30.741 29.762 -0.131 0.000 1.519 294 H HN 0.274 nan 8.280 nan 0.000 0.505 295 V N 3.451 123.402 119.914 0.062 0.000 2.446 295 V HA 0.017 4.136 4.120 -0.001 0.000 0.276 295 V C 0.460 176.573 176.094 0.032 0.000 1.030 295 V CA 0.424 62.740 62.300 0.028 0.000 1.033 295 V CB 0.868 32.701 31.823 0.017 0.000 0.993 295 V HN 0.606 nan 8.190 nan 0.000 0.477 296 S N 4.835 120.539 115.700 0.006 0.000 2.595 296 S HA 0.670 5.139 4.470 -0.001 0.000 0.281 296 S C -0.624 173.940 174.600 -0.060 0.000 1.117 296 S CA -0.962 57.231 58.200 -0.012 0.000 0.873 296 S CB 1.711 64.876 63.200 -0.059 0.000 1.108 296 S HN 0.798 nan 8.310 nan 0.000 0.477 297 R N 2.779 123.215 120.500 -0.106 0.000 2.275 297 R HA 0.500 4.840 4.340 -0.001 0.000 0.326 297 R C -2.735 173.462 176.300 -0.171 0.000 0.973 297 R CA -1.938 54.084 56.100 -0.129 0.000 0.854 297 R CB 1.253 31.466 30.300 -0.145 0.000 1.156 297 R HN 0.384 nan 8.270 nan 0.000 0.487 298 P HA 0.122 nan 4.420 nan 0.000 0.292 298 P C -0.773 176.380 177.300 -0.245 0.000 1.287 298 P CA -0.396 62.565 63.100 -0.232 0.000 0.800 298 P CB 1.864 33.489 31.700 -0.125 0.000 0.945 299 V N 6.103 125.815 119.914 -0.337 0.000 2.225 299 V HA 0.282 4.402 4.120 -0.001 0.000 0.264 299 V C 1.125 177.219 176.094 -0.001 0.000 1.067 299 V CA -0.356 61.783 62.300 -0.268 0.000 0.903 299 V CB -0.606 30.864 31.823 -0.588 0.000 1.136 299 V HN 0.662 nan 8.190 nan 0.000 0.456 300 R N 0.087 120.626 120.500 0.066 0.000 3.653 300 R HA -0.137 4.202 4.340 -0.001 0.000 0.485 300 R C 0.025 176.558 176.300 0.388 0.000 0.840 300 R CA 1.702 57.921 56.100 0.199 0.000 1.409 300 R CB -1.242 29.169 30.300 0.184 0.000 2.089 300 R HN 0.808 nan 8.270 nan 0.000 0.482 301 W N -0.848 120.505 121.300 0.089 0.000 2.937 301 W HA 0.407 5.067 4.660 -0.001 0.000 0.360 301 W C -1.563 174.928 176.519 -0.046 0.000 1.215 301 W CA -1.015 56.405 57.345 0.126 0.000 1.183 301 W CB 0.211 29.761 29.460 0.149 0.000 1.458 301 W HN -0.128 nan 8.180 nan 0.000 0.574 302 D N 1.620 121.825 120.400 -0.326 0.000 2.545 302 D HA 0.135 4.774 4.640 -0.001 0.000 0.227 302 D C 1.421 177.003 176.300 -1.196 0.000 1.150 302 D CA 0.680 54.344 54.000 -0.561 0.000 1.046 302 D CB 0.380 40.889 40.800 -0.485 0.000 1.098 302 D HN 0.459 nan 8.370 nan 0.000 0.502 303 S N 2.006 116.793 115.700 -1.523 0.000 2.501 303 S HA -0.063 4.406 4.470 -0.001 0.000 0.220 303 S C 0.593 174.668 174.600 -0.874 0.000 0.997 303 S CA 0.100 57.178 58.200 -1.870 0.000 0.919 303 S CB -0.014 62.416 63.200 -1.283 0.000 0.778 303 S HN 0.482 nan 8.310 nan 0.000 0.523 304 D N 1.390 121.391 120.400 -0.664 0.000 2.746 304 D HA -0.129 4.511 4.640 -0.001 0.000 0.236 304 D C -0.601 175.505 176.300 -0.324 0.000 1.129 304 D CA 0.783 54.428 54.000 -0.592 0.000 0.691 304 D CB -1.583 38.447 40.800 -1.283 0.000 1.077 304 D HN 0.573 nan 8.370 nan 0.000 0.432 305 H N -1.303 117.562 119.070 -0.341 0.000 2.544 305 H HA 0.395 4.950 4.556 -0.001 0.000 0.365 305 H C 0.642 175.754 175.328 -0.359 0.000 1.268 305 H CA -0.303 55.587 56.048 -0.263 0.000 1.400 305 H CB 0.761 30.392 29.762 -0.217 0.000 1.538 305 H HN -0.172 nan 8.280 nan 0.000 0.597 306 V N 2.034 121.733 119.914 -0.359 0.000 2.585 306 V HA -0.026 4.093 4.120 -0.001 0.000 0.296 306 V C 0.209 175.950 176.094 -0.589 0.000 1.035 306 V CA -0.394 61.391 62.300 -0.858 0.000 1.084 306 V CB 0.649 32.071 31.823 -0.668 0.000 0.953 306 V HN 0.437 nan 8.190 nan 0.000 0.483 307 V N 7.204 126.676 119.914 -0.738 0.000 2.584 307 V HA -0.010 4.109 4.120 -0.001 0.000 0.303 307 V C 0.391 176.351 176.094 -0.224 0.000 1.035 307 V CA 0.653 62.759 62.300 -0.323 0.000 1.172 307 V CB -0.095 31.629 31.823 -0.165 0.000 0.896 307 V HN 0.557 nan 8.190 nan 0.000 0.486 308 L N 4.824 125.955 121.223 -0.152 0.000 2.331 308 L HA 0.501 4.841 4.340 -0.001 0.000 0.268 308 L C -0.069 176.739 176.870 -0.103 0.000 1.015 308 L CA -1.090 53.684 54.840 -0.110 0.000 0.807 308 L CB 1.215 43.224 42.059 -0.083 0.000 1.293 308 L HN 0.409 nan 8.230 nan 0.000 0.451 309 L N 2.796 123.966 121.223 -0.088 0.000 2.448 309 L HA 0.202 4.542 4.340 -0.001 0.000 0.278 309 L C -0.474 176.343 176.870 -0.089 0.000 1.201 309 L CA 0.343 55.120 54.840 -0.106 0.000 1.036 309 L CB -1.279 40.728 42.059 -0.086 0.000 1.325 309 L HN 0.659 nan 8.230 nan 0.000 0.441 310 D N 0.036 120.378 120.400 -0.098 0.000 2.781 310 D HA 0.244 4.883 4.640 -0.001 0.000 0.295 310 D C 0.393 176.641 176.300 -0.087 0.000 1.143 310 D CA -0.540 53.412 54.000 -0.080 0.000 1.076 310 D CB 0.460 41.219 40.800 -0.069 0.000 1.444 310 D HN 0.108 nan 8.370 nan 0.000 0.567 311 D N -0.222 120.136 120.400 -0.070 0.000 2.127 311 D HA -0.224 4.415 4.640 -0.001 0.000 0.190 311 D C 1.461 177.717 176.300 -0.074 0.000 1.000 311 D CA 1.942 55.901 54.000 -0.068 0.000 0.839 311 D CB -0.111 40.657 40.800 -0.052 0.000 0.955 311 D HN 0.596 nan 8.370 nan 0.000 0.446 312 E N 0.207 120.367 120.200 -0.067 0.000 2.106 312 E HA -0.095 4.255 4.350 -0.001 0.000 0.192 312 E C 1.968 178.522 176.600 -0.076 0.000 0.984 312 E CA 1.363 57.724 56.400 -0.065 0.000 0.806 312 E CB -0.306 29.363 29.700 -0.051 0.000 0.750 312 E HN 0.143 nan 8.360 nan 0.000 0.458 313 T N 0.339 114.842 114.554 -0.085 0.000 2.746 313 T HA -0.180 4.170 4.350 -0.001 0.000 0.267 313 T C 1.674 176.305 174.700 -0.115 0.000 1.039 313 T CA 1.451 63.494 62.100 -0.095 0.000 1.142 313 T CB -0.327 68.478 68.868 -0.104 0.000 0.866 313 T HN 0.136 nan 8.240 nan 0.000 0.444 314 Q N 1.460 121.183 119.800 -0.130 0.000 2.124 314 Q HA 0.088 4.428 4.340 -0.001 0.000 0.202 314 Q C 2.267 178.189 176.000 -0.131 0.000 0.977 314 Q CA 1.800 57.511 55.803 -0.155 0.000 0.850 314 Q CB -0.776 27.863 28.738 -0.164 0.000 0.901 314 Q HN 0.505 nan 8.270 nan 0.000 0.429 315 A N -0.144 122.613 122.820 -0.105 0.000 1.930 315 A HA -0.094 4.225 4.320 -0.001 0.000 0.217 315 A C 2.139 179.671 177.584 -0.086 0.000 1.175 315 A CA 1.249 53.232 52.037 -0.090 0.000 0.627 315 A CB -0.628 18.328 19.000 -0.074 0.000 0.815 315 A HN 0.449 nan 8.150 nan 0.000 0.443 316 I N -0.177 120.341 120.570 -0.087 0.000 2.179 316 I HA -0.295 3.874 4.170 -0.001 0.000 0.242 316 I C 2.985 179.044 176.117 -0.097 0.000 1.088 316 I CA 1.109 62.361 61.300 -0.081 0.000 1.357 316 I CB -0.292 37.662 38.000 -0.076 0.000 1.051 316 I HN 0.351 nan 8.210 nan 0.000 0.409 317 A N 0.048 122.799 122.820 -0.116 0.000 1.883 317 A HA -0.243 4.076 4.320 -0.001 0.000 0.217 317 A C 2.476 179.972 177.584 -0.147 0.000 1.186 317 A CA 2.467 54.420 52.037 -0.141 0.000 0.624 317 A CB -0.916 17.989 19.000 -0.158 0.000 0.822 317 A HN 0.420 nan 8.150 nan 0.000 0.444 318 S N -0.178 115.440 115.700 -0.136 0.000 2.368 318 S HA -0.135 4.334 4.470 -0.001 0.000 0.225 318 S C 1.838 176.353 174.600 -0.142 0.000 1.030 318 S CA 1.304 59.420 58.200 -0.140 0.000 0.999 318 S CB -0.314 62.810 63.200 -0.126 0.000 0.844 318 S HN 0.580 nan 8.310 nan 0.000 0.459 319 E N 0.956 121.102 120.200 -0.091 0.000 2.153 319 E HA -0.044 4.306 4.350 -0.001 0.000 0.194 319 E C 1.941 178.537 176.600 -0.007 0.000 0.988 319 E CA 0.641 57.030 56.400 -0.019 0.000 0.811 319 E CB -0.336 29.372 29.700 0.013 0.000 0.746 319 E HN 0.520 nan 8.360 nan 0.000 0.466 320 I N 0.009 120.525 120.570 -0.090 0.000 2.162 320 I HA -0.219 3.950 4.170 -0.001 0.000 0.238 320 I C 2.412 178.420 176.117 -0.183 0.000 1.076 320 I CA 0.615 61.837 61.300 -0.131 0.000 1.353 320 I CB -0.267 37.615 38.000 -0.197 0.000 1.063 320 I HN -0.097 nan 8.210 nan 0.000 0.408 321 V N 0.890 120.669 119.914 -0.226 0.000 2.287 321 V HA -0.301 3.818 4.120 -0.001 0.000 0.248 321 V C 2.515 178.521 176.094 -0.145 0.000 1.053 321 V CA 1.949 64.125 62.300 -0.207 0.000 1.027 321 V CB -0.826 30.894 31.823 -0.172 0.000 0.646 321 V HN 0.364 nan 8.190 nan 0.000 0.447 322 R N -0.707 119.644 120.500 -0.248 0.000 2.159 322 R HA -0.128 4.211 4.340 -0.001 0.000 0.237 322 R C 1.671 177.677 176.300 -0.491 0.000 1.131 322 R CA 1.195 57.054 56.100 -0.402 0.000 0.982 322 R CB -0.291 29.649 30.300 -0.600 0.000 0.868 322 R HN 0.638 nan 8.270 nan 0.000 0.453 323 H N -0.258 118.799 119.070 -0.022 0.000 2.542 323 H HA 0.115 4.670 4.556 -0.001 0.000 0.283 323 H C -0.374 174.972 175.328 0.029 0.000 1.059 323 H CA -0.243 55.801 56.048 -0.007 0.000 1.162 323 H CB 0.260 30.005 29.762 -0.029 0.000 1.539 323 H HN 0.098 nan 8.280 nan 0.000 0.543 324 D N 0.807 121.286 120.400 0.132 0.000 2.737 324 D HA -0.153 4.486 4.640 -0.001 0.000 0.233 324 D C -0.235 176.228 176.300 0.273 0.000 1.155 324 D CA 0.105 54.290 54.000 0.308 0.000 0.667 324 D CB -0.688 40.278 40.800 0.277 0.000 1.060 324 D HN 0.144 nan 8.370 nan 0.000 0.427 325 L N 0.364 121.604 121.223 0.029 0.000 2.672 325 L HA 0.171 4.510 4.340 -0.001 0.000 0.238 325 L C 1.119 177.900 176.870 -0.148 0.000 1.392 325 L CA 0.645 55.465 54.840 -0.033 0.000 1.238 325 L CB -1.449 40.567 42.059 -0.072 0.000 1.548 325 L HN 0.224 nan 8.230 nan 0.000 0.423 326 F N -0.329 119.587 119.950 -0.057 0.000 2.234 326 F HA -0.133 4.393 4.527 -0.001 0.000 0.299 326 F C 1.946 177.685 175.800 -0.102 0.000 1.087 326 F CA 1.231 59.191 58.000 -0.067 0.000 1.340 326 F CB 0.274 39.248 39.000 -0.044 0.000 1.031 326 F HN 0.377 nan 8.300 nan 0.000 0.500 327 D N -1.335 119.100 120.400 0.058 0.000 2.422 327 D HA 0.075 4.714 4.640 -0.001 0.000 0.218 327 D C 1.993 178.196 176.300 -0.163 0.000 1.047 327 D CA 0.250 54.226 54.000 -0.039 0.000 0.885 327 D CB -0.004 40.811 40.800 0.025 0.000 1.035 327 D HN 0.205 nan 8.370 nan 0.000 0.502 328 R N 0.640 121.066 120.500 -0.123 0.000 2.297 328 R HA 0.144 4.484 4.340 -0.001 0.000 0.197 328 R C 0.094 176.264 176.300 -0.216 0.000 0.943 328 R CA 0.127 56.159 56.100 -0.113 0.000 1.038 328 R CB 1.028 31.306 30.300 -0.036 0.000 0.957 328 R HN -0.056 nan 8.270 nan 0.000 0.484 329 V N 2.584 122.305 119.914 -0.320 0.000 2.370 329 V HA 0.175 4.294 4.120 -0.001 0.000 0.283 329 V C -0.279 175.526 176.094 -0.480 0.000 1.023 329 V CA -0.692 61.443 62.300 -0.276 0.000 0.857 329 V CB 1.485 33.210 31.823 -0.164 0.000 0.985 329 V HN 0.202 nan 8.190 nan 0.000 0.443 330 H N 5.707 124.765 119.070 -0.019 0.000 2.597 330 H HA 0.469 5.024 4.556 -0.001 0.000 0.303 330 H C -0.438 174.888 175.328 -0.003 0.000 1.057 330 H CA -0.338 55.707 56.048 -0.005 0.000 1.261 330 H CB 1.550 31.318 29.762 0.009 0.000 1.397 330 H HN 0.474 nan 8.280 nan 0.000 0.461 331 I N 2.934 123.534 120.570 0.050 0.000 2.315 331 I HA 0.291 4.460 4.170 -0.001 0.000 0.291 331 I C 0.958 177.113 176.117 0.062 0.000 1.006 331 I CA -0.272 61.047 61.300 0.033 0.000 1.265 331 I CB 1.387 39.372 38.000 -0.024 0.000 1.387 331 I HN 0.529 nan 8.210 nan 0.000 0.475 332 G N 6.454 115.309 108.800 0.092 0.000 2.568 332 G HA2 0.800 4.760 3.960 -0.001 0.000 0.313 332 G HA3 0.800 4.760 3.960 -0.001 0.000 0.313 332 G C -1.004 173.900 174.900 0.007 0.000 1.227 332 G CA -0.691 44.455 45.100 0.077 0.000 0.979 332 G HN 0.404 nan 8.290 nan 0.000 0.486 333 L N -0.002 121.146 121.223 -0.124 0.000 2.330 333 L HA 0.576 4.916 4.340 -0.001 0.000 0.271 333 L C -1.083 175.316 176.870 -0.784 0.000 1.013 333 L CA -0.848 53.828 54.840 -0.274 0.000 0.816 333 L CB 2.399 44.353 42.059 -0.175 0.000 1.287 333 L HN 0.397 nan 8.230 nan 0.000 0.435 334 D N 2.379 122.341 120.400 -0.730 0.000 2.328 334 D HA 0.429 5.068 4.640 -0.001 0.000 0.243 334 D C -1.515 174.532 176.300 -0.422 0.000 1.324 334 D CA -0.074 53.487 54.000 -0.731 0.000 0.966 334 D CB 0.745 41.307 40.800 -0.397 0.000 1.324 334 D HN 0.262 nan 8.370 nan 0.000 0.549 335 F N 0.669 120.285 119.950 -0.556 0.000 2.693 335 F HA 0.739 5.266 4.527 -0.001 0.000 0.309 335 F C -1.742 174.110 175.800 0.086 0.000 1.129 335 F CA -1.507 56.311 58.000 -0.304 0.000 0.948 335 F CB 1.092 39.951 39.000 -0.235 0.000 1.315 335 F HN -0.044 nan 8.300 nan 0.000 0.447 336 F N 0.063 120.175 119.950 0.269 0.000 3.159 336 F HA 0.382 4.909 4.527 -0.001 0.000 0.394 336 F C -1.282 174.561 175.800 0.072 0.000 1.214 336 F CA -1.065 57.029 58.000 0.157 0.000 1.241 336 F CB 0.144 39.268 39.000 0.207 0.000 2.238 336 F HN 0.508 nan 8.300 nan 0.000 0.658 337 D N 2.549 123.026 120.400 0.129 0.000 2.316 337 D HA 0.520 5.159 4.640 -0.001 0.000 0.245 337 D C 0.481 176.801 176.300 0.032 0.000 1.171 337 D CA -0.010 53.984 54.000 -0.010 0.000 0.856 337 D CB 2.034 42.769 40.800 -0.110 0.000 1.090 337 D HN 0.627 nan 8.370 nan 0.000 0.476 338 A N 2.865 125.724 122.820 0.064 0.000 2.507 338 A HA 0.169 4.489 4.320 -0.001 0.000 0.270 338 A C 1.092 178.744 177.584 0.113 0.000 1.318 338 A CA 0.057 52.153 52.037 0.099 0.000 0.924 338 A CB -0.186 18.892 19.000 0.131 0.000 1.061 338 A HN 0.439 nan 8.150 nan 0.000 0.516 339 S N -0.489 115.237 115.700 0.044 0.000 2.629 339 S HA 0.509 4.979 4.470 -0.001 0.000 0.236 339 S C 0.236 174.826 174.600 -0.017 0.000 1.010 339 S CA 0.049 58.300 58.200 0.085 0.000 0.981 339 S CB -0.949 62.277 63.200 0.043 0.000 0.919 339 S HN 0.692 nan 8.310 nan 0.000 0.514 340 I N -2.593 117.817 120.570 -0.267 0.000 3.279 340 I HA 0.521 4.690 4.170 -0.001 0.000 0.315 340 I C -0.647 174.819 176.117 -1.084 0.000 1.187 340 I CA -1.266 59.600 61.300 -0.723 0.000 0.953 340 I CB 1.137 38.946 38.000 -0.319 0.000 1.279 340 I HN -0.130 nan 8.210 nan 0.000 0.465 341 N N 2.092 120.053 118.700 -1.231 0.000 2.414 341 N HA 0.027 4.767 4.740 -0.001 0.000 0.268 341 N C 0.680 176.091 175.510 -0.164 0.000 1.286 341 N CA 0.280 53.023 53.050 -0.511 0.000 0.896 341 N CB 0.801 39.227 38.487 -0.102 0.000 1.093 341 N HN 0.660 nan 8.380 nan 0.000 0.480 342 R N 3.722 124.182 120.500 -0.066 0.000 2.152 342 R HA -0.046 4.293 4.340 -0.001 0.000 0.232 342 R C 1.671 177.931 176.300 -0.066 0.000 1.117 342 R CA 0.756 56.785 56.100 -0.118 0.000 0.981 342 R CB 0.113 30.302 30.300 -0.184 0.000 0.870 342 R HN 0.604 nan 8.270 nan 0.000 0.451 343 I N 0.883 121.541 120.570 0.145 0.000 2.353 343 I HA -0.131 4.038 4.170 -0.001 0.000 0.248 343 I C 2.435 178.724 176.117 0.287 0.000 1.119 343 I CA 1.100 62.595 61.300 0.325 0.000 1.417 343 I CB -0.991 37.203 38.000 0.323 0.000 1.078 343 I HN 0.156 nan 8.210 nan 0.000 0.421 344 A N 0.898 123.869 122.820 0.251 0.000 1.929 344 A HA -0.014 4.305 4.320 -0.001 0.000 0.216 344 A C 2.592 180.299 177.584 0.205 0.000 1.176 344 A CA 1.498 53.730 52.037 0.326 0.000 0.628 344 A CB -0.572 18.675 19.000 0.411 0.000 0.816 344 A HN 0.379 nan 8.150 nan 0.000 0.444 345 A N -1.029 121.874 122.820 0.137 0.000 1.865 345 A HA -0.206 4.113 4.320 -0.001 0.000 0.217 345 A C 2.034 179.815 177.584 0.329 0.000 1.191 345 A CA 1.548 53.671 52.037 0.144 0.000 0.623 345 A CB -0.894 18.169 19.000 0.105 0.000 0.826 345 A HN 0.726 nan 8.150 nan 0.000 0.444 346 W N 0.173 121.588 121.300 0.191 0.000 2.363 346 W HA -0.112 4.547 4.660 -0.001 0.000 0.296 346 W C 2.360 178.911 176.519 0.052 0.000 1.212 346 W CA 1.300 58.733 57.345 0.147 0.000 1.260 346 W CB -1.013 28.423 29.460 -0.039 0.000 1.131 346 W HN 0.203 nan 8.180 nan 0.000 0.530 347 V N 0.707 120.727 119.914 0.177 0.000 2.220 347 V HA -0.332 3.787 4.120 -0.001 0.000 0.246 347 V C 2.223 178.174 176.094 -0.239 0.000 1.049 347 V CA 2.057 64.239 62.300 -0.196 0.000 1.003 347 V CB -1.134 30.340 31.823 -0.582 0.000 0.634 347 V HN -0.009 nan 8.190 nan 0.000 0.444 348 I N 0.550 121.018 120.570 -0.171 0.000 2.151 348 I HA -0.255 3.915 4.170 -0.001 0.000 0.243 348 I C 2.567 178.669 176.117 -0.025 0.000 1.080 348 I CA 1.968 63.246 61.300 -0.037 0.000 1.339 348 I CB -0.961 37.091 38.000 0.088 0.000 1.039 348 I HN 0.444 nan 8.210 nan 0.000 0.409 349 G N -0.074 108.735 108.800 0.015 0.000 2.433 349 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.216 349 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.216 349 G C 1.632 176.612 174.900 0.134 0.000 1.186 349 G CA 1.422 46.537 45.100 0.026 0.000 0.779 349 G HN 0.321 nan 8.290 nan 0.000 0.543 350 T N 0.624 115.290 114.554 0.187 0.000 2.674 350 T HA -0.091 4.258 4.350 -0.001 0.000 0.265 350 T C 2.442 177.178 174.700 0.059 0.000 1.039 350 T CA 1.230 63.396 62.100 0.109 0.000 1.150 350 T CB -0.191 68.716 68.868 0.064 0.000 0.864 350 T HN 0.200 nan 8.240 nan 0.000 0.427 351 R N 0.967 121.490 120.500 0.038 0.000 2.091 351 R HA -0.071 4.268 4.340 -0.001 0.000 0.238 351 R C 2.481 178.731 176.300 -0.082 0.000 1.136 351 R CA 1.380 57.533 56.100 0.089 0.000 0.959 351 R CB -0.252 30.098 30.300 0.083 0.000 0.856 351 R HN 0.308 nan 8.270 nan 0.000 0.437 352 N N 0.406 119.048 118.700 -0.096 0.000 2.120 352 N HA -0.174 4.565 4.740 -0.001 0.000 0.188 352 N C 1.629 177.040 175.510 -0.165 0.000 1.024 352 N CA 1.216 54.170 53.050 -0.160 0.000 0.852 352 N CB -0.184 38.236 38.487 -0.112 0.000 1.003 352 N HN 0.100 nan 8.380 nan 0.000 0.424 353 M N 1.412 120.960 119.600 -0.085 0.000 2.108 353 M HA -0.099 4.381 4.480 -0.001 0.000 0.261 353 M C 1.571 177.814 176.300 -0.095 0.000 1.066 353 M CA 1.633 56.889 55.300 -0.073 0.000 1.107 353 M CB -0.032 32.560 32.600 -0.013 0.000 1.356 353 M HN -0.053 nan 8.290 nan 0.000 0.406 354 K N -0.700 119.666 120.400 -0.057 0.000 2.103 354 K HA -0.109 4.210 4.320 -0.001 0.000 0.204 354 K C 2.053 178.581 176.600 -0.121 0.000 1.052 354 K CA 1.264 57.549 56.287 -0.003 0.000 0.945 354 K CB -0.088 32.546 32.500 0.224 0.000 0.722 354 K HN 0.331 nan 8.250 nan 0.000 0.443 355 K N 0.494 120.658 120.400 -0.393 0.000 2.057 355 K HA -0.072 4.247 4.320 -0.001 0.000 0.206 355 K C 2.136 178.488 176.600 -0.414 0.000 1.050 355 K CA 1.162 57.102 56.287 -0.579 0.000 0.935 355 K CB -0.059 31.983 32.500 -0.764 0.000 0.715 355 K HN 0.109 nan 8.250 nan 0.000 0.439 356 A N 1.178 123.798 122.820 -0.334 0.000 1.898 356 A HA -0.129 4.190 4.320 -0.001 0.000 0.216 356 A C 2.080 179.515 177.584 -0.248 0.000 1.181 356 A CA 1.224 53.080 52.037 -0.301 0.000 0.620 356 A CB -0.614 18.252 19.000 -0.223 0.000 0.819 356 A HN 0.151 nan 8.150 nan 0.000 0.442 357 L N -1.099 120.009 121.223 -0.193 0.000 2.017 357 L HA -0.178 4.161 4.340 -0.001 0.000 0.208 357 L C 2.546 179.321 176.870 -0.157 0.000 1.073 357 L CA 1.199 55.939 54.840 -0.167 0.000 0.745 357 L CB -0.583 41.391 42.059 -0.142 0.000 0.894 357 L HN 0.447 nan 8.230 nan 0.000 0.432 358 L N -0.014 121.121 121.223 -0.146 0.000 2.042 358 L HA -0.206 4.134 4.340 -0.001 0.000 0.210 358 L C 2.718 179.504 176.870 -0.140 0.000 1.076 358 L CA 1.720 56.496 54.840 -0.106 0.000 0.749 358 L CB -0.529 41.538 42.059 0.014 0.000 0.893 358 L HN 0.089 nan 8.230 nan 0.000 0.432 359 R N -0.758 119.593 120.500 -0.248 0.000 2.091 359 R HA -0.136 4.203 4.340 -0.001 0.000 0.238 359 R C 2.245 178.418 176.300 -0.210 0.000 1.136 359 R CA 1.348 57.255 56.100 -0.320 0.000 0.959 359 R CB -0.636 29.312 30.300 -0.586 0.000 0.856 359 R HN 0.540 nan 8.270 nan 0.000 0.437 360 A N 0.989 123.692 122.820 -0.195 0.000 1.902 360 A HA -0.122 4.198 4.320 -0.001 0.000 0.217 360 A C 2.099 179.618 177.584 -0.108 0.000 1.181 360 A CA 1.142 53.089 52.037 -0.149 0.000 0.623 360 A CB -0.461 18.444 19.000 -0.159 0.000 0.818 360 A HN 0.203 nan 8.150 nan 0.000 0.443 361 L N -0.845 120.319 121.223 -0.099 0.000 2.362 361 L HA -0.016 4.323 4.340 -0.001 0.000 0.219 361 L C 1.651 178.476 176.870 -0.076 0.000 1.134 361 L CA 0.498 55.303 54.840 -0.058 0.000 0.807 361 L CB -0.159 41.879 42.059 -0.036 0.000 0.927 361 L HN 0.340 nan 8.230 nan 0.000 0.447 362 L N -0.795 120.362 121.223 -0.110 0.000 2.628 362 L HA 0.114 4.454 4.340 -0.001 0.000 0.229 362 L C 0.886 177.749 176.870 -0.012 0.000 1.137 362 L CA -0.129 54.616 54.840 -0.158 0.000 0.909 362 L CB 0.073 41.945 42.059 -0.312 0.000 1.137 362 L HN 0.174 nan 8.230 nan 0.000 0.470 363 E N 2.925 123.117 120.200 -0.015 0.000 2.313 363 E HA 0.145 4.495 4.350 -0.001 0.000 0.276 363 E C -2.111 174.499 176.600 0.018 0.000 1.031 363 E CA -1.985 54.422 56.400 0.011 0.000 0.857 363 E CB 1.173 30.851 29.700 -0.037 0.000 1.040 363 E HN -0.102 nan 8.360 nan 0.000 0.408 364 P HA 0.098 nan 4.420 nan 0.000 0.225 364 P C 0.087 177.393 177.300 0.011 0.000 1.830 364 P CA -0.207 62.914 63.100 0.034 0.000 1.051 364 P CB 0.584 32.312 31.700 0.048 0.000 1.929 365 T N 0.882 115.432 114.554 -0.006 0.000 2.708 365 T HA -0.168 4.181 4.350 -0.001 0.000 0.266 365 T C 1.947 176.639 174.700 -0.013 0.000 1.037 365 T CA 1.977 64.062 62.100 -0.025 0.000 1.146 365 T CB -0.393 68.442 68.868 -0.054 0.000 0.865 365 T HN 0.274 nan 8.240 nan 0.000 0.435 366 A N 1.468 124.286 122.820 -0.004 0.000 1.892 366 A HA -0.222 4.098 4.320 -0.001 0.000 0.218 366 A C 2.205 179.794 177.584 0.009 0.000 1.188 366 A CA 2.252 54.291 52.037 0.003 0.000 0.631 366 A CB -0.818 18.185 19.000 0.006 0.000 0.822 366 A HN 0.668 nan 8.150 nan 0.000 0.447 367 E N -0.198 120.009 120.200 0.011 0.000 2.033 367 E HA -0.229 4.120 4.350 -0.001 0.000 0.199 367 E C 1.959 178.569 176.600 0.017 0.000 1.011 367 E CA 1.619 58.027 56.400 0.015 0.000 0.815 367 E CB -0.321 29.389 29.700 0.017 0.000 0.755 367 E HN 0.583 nan 8.360 nan 0.000 0.451 368 L N 0.399 121.630 121.223 0.013 0.000 2.012 368 L HA -0.205 4.135 4.340 -0.001 0.000 0.210 368 L C 3.013 179.896 176.870 0.022 0.000 1.073 368 L CA 1.464 56.313 54.840 0.016 0.000 0.748 368 L CB -0.463 41.598 42.059 0.003 0.000 0.891 368 L HN 0.182 nan 8.230 nan 0.000 0.431 369 R N 0.069 120.577 120.500 0.014 0.000 2.117 369 R HA -0.231 4.109 4.340 -0.001 0.000 0.243 369 R C 2.373 178.694 176.300 0.035 0.000 1.143 369 R CA 1.718 57.831 56.100 0.022 0.000 0.968 369 R CB -0.120 30.189 30.300 0.015 0.000 0.863 369 R HN 0.305 nan 8.270 nan 0.000 0.444 370 K N 0.440 120.857 120.400 0.028 0.000 1.973 370 K HA -0.136 4.183 4.320 -0.001 0.000 0.212 370 K C 2.227 178.848 176.600 0.036 0.000 1.047 370 K CA 1.388 57.692 56.287 0.027 0.000 0.937 370 K CB -0.206 32.305 32.500 0.019 0.000 0.721 370 K HN 0.113 nan 8.250 nan 0.000 0.440 371 L N 1.052 122.299 121.223 0.039 0.000 2.051 371 L HA -0.260 4.080 4.340 -0.001 0.000 0.214 371 L C 2.620 179.542 176.870 0.085 0.000 1.076 371 L CA 1.631 56.500 54.840 0.049 0.000 0.758 371 L CB -0.452 41.639 42.059 0.052 0.000 0.890 371 L HN 0.397 nan 8.230 nan 0.000 0.433 372 E N 0.125 120.390 120.200 0.109 0.000 2.038 372 E HA -0.280 4.070 4.350 -0.001 0.000 0.195 372 E C 2.222 178.928 176.600 0.176 0.000 1.000 372 E CA 1.298 57.807 56.400 0.181 0.000 0.803 372 E CB -0.099 29.668 29.700 0.111 0.000 0.750 372 E HN 0.475 nan 8.360 nan 0.000 0.448 373 A N 0.789 123.667 122.820 0.096 0.000 2.076 373 A HA -0.088 4.232 4.320 -0.001 0.000 0.220 373 A C -0.519 177.088 177.584 0.038 0.000 1.160 373 A CA 0.917 52.995 52.037 0.069 0.000 0.653 373 A CB -0.968 18.059 19.000 0.045 0.000 0.801 373 A HN 0.281 nan 8.150 nan 0.000 0.455 374 P HA 0.217 nan 4.420 nan 0.000 0.262 374 P C 0.842 178.086 177.300 -0.093 0.000 1.304 374 P CA 0.956 64.041 63.100 -0.025 0.000 0.859 374 P CB 0.261 31.953 31.700 -0.014 0.000 1.310 375 G N 0.720 109.438 108.800 -0.136 0.000 2.166 375 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.260 375 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.260 375 G C 0.315 174.912 174.900 -0.505 0.000 0.986 375 G CA 0.106 44.886 45.100 -0.534 0.000 0.683 375 G HN 0.336 nan 8.290 nan 0.000 0.527 376 D N -0.045 120.269 120.400 -0.143 0.000 2.608 376 D HA 0.250 4.890 4.640 -0.001 0.000 0.224 376 D C 1.383 177.758 176.300 0.126 0.000 1.123 376 D CA -0.547 53.423 54.000 -0.050 0.000 1.030 376 D CB -0.700 40.097 40.800 -0.004 0.000 1.093 376 D HN 0.582 nan 8.370 nan 0.000 0.497 377 Y N 0.108 120.407 120.300 -0.002 0.000 2.421 377 Y HA -0.159 4.390 4.550 -0.001 0.000 0.292 377 Y C 2.315 178.213 175.900 -0.003 0.000 1.136 377 Y CA 0.346 58.445 58.100 -0.003 0.000 1.255 377 Y CB 0.305 38.763 38.460 -0.002 0.000 0.991 377 Y HN 0.206 nan 8.280 nan 0.000 0.552 378 T N 0.003 114.649 114.554 0.153 0.000 2.770 378 T HA -0.146 4.204 4.350 -0.001 0.000 0.263 378 T C 2.183 176.920 174.700 0.061 0.000 1.039 378 T CA 1.126 63.276 62.100 0.084 0.000 1.142 378 T CB -0.330 68.566 68.868 0.046 0.000 0.868 378 T HN 0.452 nan 8.240 nan 0.000 0.435 379 A N 1.622 124.477 122.820 0.058 0.000 1.898 379 A HA -0.039 4.281 4.320 -0.001 0.000 0.216 379 A C 2.267 179.878 177.584 0.046 0.000 1.181 379 A CA 1.473 53.535 52.037 0.041 0.000 0.620 379 A CB -0.583 18.436 19.000 0.031 0.000 0.819 379 A HN 0.369 nan 8.150 nan 0.000 0.442 380 R N -0.858 119.685 120.500 0.072 0.000 2.122 380 R HA -0.222 4.118 4.340 -0.001 0.000 0.236 380 R C 2.094 178.410 176.300 0.026 0.000 1.129 380 R CA 2.125 58.259 56.100 0.057 0.000 0.925 380 R CB -0.644 29.709 30.300 0.087 0.000 0.850 380 R HN 0.425 nan 8.270 nan 0.000 0.431 381 L N 0.626 121.866 121.223 0.029 0.000 1.971 381 L HA -0.186 4.154 4.340 -0.001 0.000 0.215 381 L C 2.444 179.320 176.870 0.010 0.000 1.072 381 L CA 2.404 57.250 54.840 0.009 0.000 0.758 381 L CB -0.952 41.116 42.059 0.015 0.000 0.889 381 L HN 0.362 nan 8.230 nan 0.000 0.433 382 A N -0.790 122.040 122.820 0.018 0.000 1.892 382 A HA -0.244 4.076 4.320 -0.001 0.000 0.218 382 A C 2.357 179.946 177.584 0.009 0.000 1.188 382 A CA 2.231 54.276 52.037 0.012 0.000 0.631 382 A CB -1.002 18.006 19.000 0.014 0.000 0.822 382 A HN 0.512 nan 8.150 nan 0.000 0.447 383 L N -0.935 120.295 121.223 0.011 0.000 1.994 383 L HA -0.175 4.165 4.340 -0.001 0.000 0.208 383 L C 2.682 179.555 176.870 0.006 0.000 1.071 383 L CA 1.650 56.495 54.840 0.009 0.000 0.745 383 L CB -0.583 41.484 42.059 0.013 0.000 0.892 383 L HN 0.440 nan 8.230 nan 0.000 0.431 384 L N -0.502 120.721 121.223 0.001 0.000 2.043 384 L HA -0.265 4.074 4.340 -0.001 0.000 0.212 384 L C 2.655 179.520 176.870 -0.007 0.000 1.075 384 L CA 1.344 56.178 54.840 -0.009 0.000 0.752 384 L CB -0.447 41.600 42.059 -0.020 0.000 0.891 384 L HN 0.311 nan 8.230 nan 0.000 0.432 385 E N -0.363 119.835 120.200 -0.004 0.000 2.208 385 E HA -0.151 4.198 4.350 -0.001 0.000 0.193 385 E C 2.012 178.617 176.600 0.008 0.000 0.988 385 E CA 0.689 57.089 56.400 -0.000 0.000 0.828 385 E CB 0.002 29.702 29.700 0.000 0.000 0.763 385 E HN 0.492 nan 8.360 nan 0.000 0.478 386 E N 0.504 120.709 120.200 0.007 0.000 2.358 386 E HA -0.088 4.261 4.350 -0.001 0.000 0.195 386 E C 1.867 178.477 176.600 0.016 0.000 1.010 386 E CA 0.273 56.677 56.400 0.007 0.000 0.856 386 E CB 0.133 29.831 29.700 -0.003 0.000 0.795 386 E HN 0.164 nan 8.360 nan 0.000 0.504 387 Q N 1.124 120.938 119.800 0.023 0.000 2.096 387 Q HA -0.133 4.207 4.340 -0.001 0.000 0.204 387 Q C 1.887 177.937 176.000 0.083 0.000 0.982 387 Q CA 1.227 57.060 55.803 0.050 0.000 0.850 387 Q CB -0.307 28.450 28.738 0.032 0.000 0.901 387 Q HN 0.307 nan 8.270 nan 0.000 0.422 388 K N 0.430 120.864 120.400 0.057 0.000 2.211 388 K HA -0.083 4.236 4.320 -0.001 0.000 0.204 388 K C 1.706 178.413 176.600 0.179 0.000 1.047 388 K CA 1.443 57.788 56.287 0.096 0.000 0.935 388 K CB -0.110 32.423 32.500 0.054 0.000 0.728 388 K HN 0.193 nan 8.250 nan 0.000 0.452 389 S N 0.127 115.894 115.700 0.113 0.000 2.572 389 S HA 0.210 4.680 4.470 -0.001 0.000 0.228 389 S C 0.481 175.120 174.600 0.065 0.000 0.963 389 S CA -0.573 57.684 58.200 0.096 0.000 0.939 389 S CB -0.169 63.058 63.200 0.044 0.000 0.804 389 S HN 0.038 nan 8.310 nan 0.000 0.480 390 L N 2.352 123.630 121.223 0.092 0.000 2.453 390 L HA 0.361 4.700 4.340 -0.001 0.000 0.261 390 L C -1.915 175.007 176.870 0.086 0.000 1.179 390 L CA -2.319 52.475 54.840 -0.077 0.000 0.813 390 L CB 0.404 42.277 42.059 -0.310 0.000 1.110 390 L HN -0.005 nan 8.230 nan 0.000 0.466 391 P HA -0.037 nan 4.420 nan 0.000 0.226 391 P C 0.519 178.054 177.300 0.393 0.000 1.783 391 P CA -0.139 63.029 63.100 0.114 0.000 0.980 391 P CB -0.408 31.331 31.700 0.065 0.000 1.967 392 W N 1.224 122.764 121.300 0.400 0.000 2.465 392 W HA -0.105 4.554 4.660 -0.001 0.000 0.268 392 W C 0.719 177.409 176.519 0.285 0.000 1.242 392 W CA 0.241 57.803 57.345 0.362 0.000 1.248 392 W CB -1.457 28.149 29.460 0.243 0.000 1.118 392 W HN 0.103 nan 8.180 nan 0.000 0.587 393 Q N 1.861 121.303 119.800 -0.597 0.000 2.152 393 Q HA -0.151 4.188 4.340 -0.001 0.000 0.206 393 Q C 2.765 178.789 176.000 0.040 0.000 0.985 393 Q CA 3.123 58.571 55.803 -0.591 0.000 0.863 393 Q CB -0.937 27.393 28.738 -0.681 0.000 0.904 393 Q HN 0.350 nan 8.270 nan 0.000 0.422 394 A N 0.018 122.900 122.820 0.104 0.000 1.933 394 A HA -0.154 4.166 4.320 -0.001 0.000 0.218 394 A C 2.285 180.107 177.584 0.397 0.000 1.175 394 A CA 1.585 53.763 52.037 0.234 0.000 0.628 394 A CB -0.633 18.501 19.000 0.223 0.000 0.814 394 A HN 0.243 nan 8.150 nan 0.000 0.444 395 V N -1.388 118.784 119.914 0.429 0.000 2.453 395 V HA -0.219 3.900 4.120 -0.001 0.000 0.247 395 V C 2.187 178.567 176.094 0.477 0.000 1.048 395 V CA 1.402 64.017 62.300 0.525 0.000 1.049 395 V CB -0.999 31.036 31.823 0.353 0.000 0.672 395 V HN 0.858 nan 8.190 nan 0.000 0.457 396 W N 1.505 122.977 121.300 0.286 0.000 2.355 396 W HA -0.173 4.486 4.660 -0.001 0.000 0.309 396 W C 2.184 178.842 176.519 0.232 0.000 1.206 396 W CA 1.853 59.362 57.345 0.274 0.000 1.284 396 W CB -0.024 29.604 29.460 0.279 0.000 1.145 396 W HN 0.331 nan 8.180 nan 0.000 0.502 397 E N 0.223 120.460 120.200 0.061 0.000 2.160 397 E HA -0.300 4.049 4.350 -0.001 0.000 0.195 397 E C 1.975 178.497 176.600 -0.130 0.000 0.991 397 E CA 1.778 58.124 56.400 -0.090 0.000 0.810 397 E CB -0.406 29.331 29.700 0.062 0.000 0.742 397 E HN 0.235 nan 8.360 nan 0.000 0.466 398 M N -0.273 119.296 119.600 -0.051 0.000 2.236 398 M HA -0.117 4.363 4.480 -0.001 0.000 0.266 398 M C 1.911 178.074 176.300 -0.229 0.000 1.070 398 M CA 1.260 56.417 55.300 -0.240 0.000 1.137 398 M CB -0.299 31.949 32.600 -0.587 0.000 1.378 398 M HN 0.063 nan 8.290 nan 0.000 0.426 399 Y N 0.022 120.185 120.300 -0.227 0.000 2.165 399 Y HA -0.267 4.282 4.550 -0.001 0.000 0.286 399 Y C 2.282 178.045 175.900 -0.227 0.000 1.155 399 Y CA 1.868 59.861 58.100 -0.177 0.000 1.164 399 Y CB -0.773 37.611 38.460 -0.126 0.000 0.978 399 Y HN 0.381 nan 8.280 nan 0.000 0.513 400 C N 0.134 119.169 119.300 -0.441 0.000 2.436 400 C HA -0.245 4.214 4.460 -0.001 0.000 0.277 400 C C 2.777 177.593 174.990 -0.289 0.000 1.241 400 C CA 1.668 60.408 59.018 -0.462 0.000 1.721 400 C CB -1.339 26.096 27.740 -0.510 0.000 2.043 400 C HN 0.711 nan 8.230 nan 0.000 0.472 401 Q N 0.547 120.194 119.800 -0.255 0.000 2.181 401 Q HA -0.186 4.153 4.340 -0.001 0.000 0.205 401 Q C 2.122 177.982 176.000 -0.234 0.000 0.980 401 Q CA 1.576 57.253 55.803 -0.209 0.000 0.862 401 Q CB -0.203 28.417 28.738 -0.197 0.000 0.905 401 Q HN 0.612 nan 8.270 nan 0.000 0.429 402 R N -0.951 119.372 120.500 -0.294 0.000 2.316 402 R HA -0.015 4.324 4.340 -0.001 0.000 0.202 402 R C 0.928 176.969 176.300 -0.431 0.000 1.029 402 R CA 0.623 56.514 56.100 -0.348 0.000 1.018 402 R CB 0.145 30.215 30.300 -0.382 0.000 0.888 402 R HN 0.417 nan 8.270 nan 0.000 0.471 403 H N 0.328 119.179 119.070 -0.366 0.000 2.592 403 H HA 0.076 4.631 4.556 -0.001 0.000 0.279 403 H C -0.514 174.672 175.328 -0.237 0.000 1.089 403 H CA -0.168 55.682 56.048 -0.330 0.000 1.150 403 H CB 0.544 30.039 29.762 -0.445 0.000 1.575 403 H HN 0.122 nan 8.280 nan 0.000 0.547 404 D N 1.946 122.274 120.400 -0.121 0.000 2.803 404 D HA -0.137 4.502 4.640 -0.001 0.000 0.233 404 D C -0.445 175.812 176.300 -0.072 0.000 1.182 404 D CA 0.892 54.836 54.000 -0.094 0.000 0.726 404 D CB -1.075 39.673 40.800 -0.087 0.000 0.987 404 D HN 0.294 nan 8.370 nan 0.000 0.412 405 T N 0.430 114.931 114.554 -0.089 0.000 2.912 405 T HA 0.451 4.801 4.350 -0.001 0.000 0.299 405 T C -2.490 172.177 174.700 -0.055 0.000 1.052 405 T CA -1.255 60.798 62.100 -0.078 0.000 0.996 405 T CB 2.792 71.576 68.868 -0.140 0.000 1.070 405 T HN -0.189 nan 8.240 nan 0.000 0.465 406 P HA 0.243 nan 4.420 nan 0.000 0.266 406 P C 0.176 177.520 177.300 0.073 0.000 1.195 406 P CA -0.139 63.012 63.100 0.084 0.000 0.768 406 P CB 0.522 32.348 31.700 0.210 0.000 0.838 407 A N 3.148 126.001 122.820 0.053 0.000 1.935 407 A HA 0.267 4.586 4.320 -0.001 0.000 0.214 407 A C 1.318 179.030 177.584 0.212 0.000 1.178 407 A CA 1.757 53.813 52.037 0.032 0.000 0.640 407 A CB -0.874 18.121 19.000 -0.009 0.000 0.825 407 A HN 0.605 nan 8.150 nan 0.000 0.447 408 G N -1.536 107.395 108.800 0.218 0.000 3.122 408 G HA2 0.369 4.329 3.960 -0.001 0.000 0.180 408 G HA3 0.369 4.329 3.960 -0.001 0.000 0.180 408 G C 1.096 176.156 174.900 0.267 0.000 1.279 408 G CA 0.741 45.986 45.100 0.243 0.000 0.987 408 G HN 0.570 nan 8.290 nan 0.000 0.589 409 S N -0.423 115.323 115.700 0.076 0.000 2.469 409 S HA -0.110 4.360 4.470 -0.001 0.000 0.238 409 S C 1.722 176.143 174.600 -0.299 0.000 0.998 409 S CA 1.849 59.942 58.200 -0.177 0.000 0.957 409 S CB -0.369 62.743 63.200 -0.146 0.000 0.764 409 S HN 0.620 nan 8.310 nan 0.000 0.514 410 E N 2.331 122.486 120.200 -0.075 0.000 2.187 410 E HA -0.192 4.158 4.350 -0.001 0.000 0.199 410 E C 1.827 178.428 176.600 0.002 0.000 1.004 410 E CA 1.443 57.824 56.400 -0.032 0.000 0.813 410 E CB -1.015 28.707 29.700 0.037 0.000 0.736 410 E HN 0.961 nan 8.360 nan 0.000 0.468 411 W N 1.207 122.542 121.300 0.058 0.000 2.341 411 W HA -0.161 4.499 4.660 -0.001 0.000 0.283 411 W C 1.510 178.070 176.519 0.068 0.000 1.215 411 W CA 0.384 57.766 57.345 0.061 0.000 1.211 411 W CB -0.829 28.675 29.460 0.073 0.000 1.131 411 W HN 0.149 nan 8.180 nan 0.000 0.552 412 L N 2.174 123.072 121.223 -0.541 0.000 2.079 412 L HA -0.199 4.140 4.340 -0.001 0.000 0.210 412 L C 2.545 179.352 176.870 -0.104 0.000 1.081 412 L CA 2.119 56.646 54.840 -0.522 0.000 0.752 412 L CB -0.773 40.844 42.059 -0.736 0.000 0.896 412 L HN -0.221 nan 8.230 nan 0.000 0.433 413 E N -0.548 119.613 120.200 -0.065 0.000 2.110 413 E HA -0.151 4.198 4.350 -0.001 0.000 0.193 413 E C 2.329 178.979 176.600 0.084 0.000 0.988 413 E CA 1.380 57.787 56.400 0.012 0.000 0.804 413 E CB -0.515 29.189 29.700 0.007 0.000 0.745 413 E HN 0.489 nan 8.360 nan 0.000 0.458 414 S N 0.273 116.051 115.700 0.130 0.000 2.355 414 S HA -0.086 4.383 4.470 -0.001 0.000 0.222 414 S C 2.204 176.932 174.600 0.213 0.000 1.031 414 S CA 0.890 59.189 58.200 0.166 0.000 0.993 414 S CB -0.182 63.126 63.200 0.180 0.000 0.859 414 S HN 0.053 nan 8.310 nan 0.000 0.453 415 V N 1.968 122.036 119.914 0.257 0.000 2.343 415 V HA -0.192 3.928 4.120 -0.001 0.000 0.247 415 V C 2.374 178.621 176.094 0.255 0.000 1.051 415 V CA 1.733 64.212 62.300 0.299 0.000 1.036 415 V CB -0.570 31.479 31.823 0.376 0.000 0.654 415 V HN 0.371 nan 8.190 nan 0.000 0.451 416 R N -0.157 120.443 120.500 0.167 0.000 2.152 416 R HA -0.082 4.257 4.340 -0.001 0.000 0.232 416 R C 2.293 178.673 176.300 0.133 0.000 1.117 416 R CA 1.335 57.514 56.100 0.131 0.000 0.981 416 R CB -0.446 29.898 30.300 0.073 0.000 0.870 416 R HN 0.563 nan 8.270 nan 0.000 0.451 417 A N -0.015 122.894 122.820 0.149 0.000 1.898 417 A HA -0.155 4.164 4.320 -0.001 0.000 0.214 417 A C 1.884 179.572 177.584 0.173 0.000 1.183 417 A CA 0.748 52.867 52.037 0.136 0.000 0.622 417 A CB -0.575 18.500 19.000 0.125 0.000 0.824 417 A HN 0.394 nan 8.150 nan 0.000 0.444 418 Y N 0.726 121.084 120.300 0.096 0.000 2.274 418 Y HA -0.162 4.388 4.550 -0.001 0.000 0.290 418 Y C 2.218 178.179 175.900 0.102 0.000 1.145 418 Y CA 1.984 60.145 58.100 0.101 0.000 1.203 418 Y CB -0.256 38.279 38.460 0.125 0.000 0.984 418 Y HN 0.516 nan 8.280 nan 0.000 0.533 419 E N 0.066 120.346 120.200 0.134 0.000 2.038 419 E HA -0.243 4.106 4.350 -0.001 0.000 0.195 419 E C 2.314 178.904 176.600 -0.016 0.000 1.000 419 E CA 1.427 57.865 56.400 0.063 0.000 0.803 419 E CB -0.118 29.675 29.700 0.155 0.000 0.750 419 E HN 0.303 nan 8.360 nan 0.000 0.448 420 K N 0.413 120.824 120.400 0.019 0.000 1.988 420 K HA -0.267 4.052 4.320 -0.001 0.000 0.221 420 K C 2.248 178.831 176.600 -0.029 0.000 1.053 420 K CA 1.967 58.257 56.287 0.005 0.000 0.959 420 K CB -0.293 32.223 32.500 0.027 0.000 0.728 420 K HN 0.194 nan 8.250 nan 0.000 0.447 421 E N -0.260 119.918 120.200 -0.037 0.000 2.106 421 E HA -0.151 4.199 4.350 -0.001 0.000 0.192 421 E C 1.850 178.381 176.600 -0.115 0.000 0.984 421 E CA 0.995 57.364 56.400 -0.053 0.000 0.806 421 E CB 0.262 29.953 29.700 -0.016 0.000 0.750 421 E HN 0.227 nan 8.360 nan 0.000 0.458 422 I N -0.084 120.339 120.570 -0.245 0.000 3.366 422 I HA -0.065 4.105 4.170 -0.001 0.000 0.267 422 I C 2.380 178.353 176.117 -0.241 0.000 1.149 422 I CA 0.274 61.390 61.300 -0.306 0.000 1.436 422 I CB -0.928 36.684 38.000 -0.647 0.000 1.379 422 I HN 0.133 nan 8.210 nan 0.000 0.460 423 L N 1.511 122.569 121.223 -0.275 0.000 2.046 423 L HA -0.180 4.160 4.340 -0.001 0.000 0.208 423 L C 2.695 179.533 176.870 -0.052 0.000 1.077 423 L CA 1.902 56.677 54.840 -0.109 0.000 0.747 423 L CB -0.863 41.196 42.059 -0.000 0.000 0.896 423 L HN 0.327 nan 8.230 nan 0.000 0.432 424 S N -0.084 115.583 115.700 -0.055 0.000 2.500 424 S HA -0.141 4.328 4.470 -0.001 0.000 0.239 424 S C 1.762 176.339 174.600 -0.039 0.000 0.989 424 S CA 0.677 58.852 58.200 -0.042 0.000 0.951 424 S CB -0.317 62.863 63.200 -0.033 0.000 0.759 424 S HN 0.462 nan 8.310 nan 0.000 0.523 425 R N 0.718 121.191 120.500 -0.045 0.000 2.427 425 R HA 0.304 4.644 4.340 -0.001 0.000 0.262 425 R C 0.376 176.660 176.300 -0.026 0.000 0.943 425 R CA -0.199 55.880 56.100 -0.034 0.000 1.081 425 R CB 0.342 30.620 30.300 -0.036 0.000 1.166 425 R HN 0.464 nan 8.270 nan 0.000 0.534 426 R N 0.000 120.487 120.500 -0.022 0.000 2.786 426 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 426 R CA 0.000 56.097 56.100 -0.005 0.000 0.921 426 R CB 0.000 30.308 30.300 0.013 0.000 0.687 426 R HN 0.000 nan 8.270 nan 0.000 0.535