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 2gp6_1_A DATA FIRST_RESID 3 DATA SEQUENCE HMVTGKAFPY VVVTGIAMTT ALATDAETTW KLLLDRQSGI RTLDDPFVEE DATA SEQUENCE FDLPVRIGGH LLEEFDHQLT RIELRRMGYL QRMSTVLSRR LWENAGSPEV DATA SEQUENCE DTNRLMVSIG TGLGSAEELV FSYDDMRARG MKAVSPLTVQ KYMPNGAAAA DATA SEQUENCE VGLERHAKAG VMTPVSACAS GAEAIARAWQ QIVLGEADAA ICGGVETRIE DATA SEQUENCE AVPIAGFAQM RIVMSTNNDD PAGACRPFDR DRDGFVFGEG GALLLIETEE DATA SEQUENCE HAKARGANIL ARIMGASITS DGFHMVAPDP NGERAGHAIT RAIQLAGLAP DATA SEQUENCE GDIDHVNAHA TGTQVGDLAE GRAINNALGG NRPAVYAPKS ALGHSVGAVG DATA SEQUENCE AVESILTVLA LRDQVIPPTL NLVNLDPEID LDVVAGEPRP GNYRYAINNS DATA SEQUENCE FGFGGHNVAI AFGRY 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 3 H HA 0.000 nan 4.556 nan 0.000 0.296 3 H C 0.000 175.159 175.328 -0.282 0.000 0.993 3 H CA 0.000 55.963 56.048 -0.142 0.000 1.023 3 H CB 0.000 29.693 29.762 -0.115 0.000 1.292 4 M N 4.360 123.802 119.600 -0.265 0.000 3.396 4 M HA 0.395 4.877 4.480 0.004 0.000 0.255 4 M C -1.182 174.747 176.300 -0.618 0.000 1.398 4 M CA -0.376 54.583 55.300 -0.569 0.000 1.554 4 M CB -1.272 31.189 32.600 -0.231 0.000 1.070 4 M HN 0.095 nan 8.290 nan 0.000 0.587 5 V N 0.661 120.101 119.914 -0.791 0.000 3.126 5 V HA 0.393 4.515 4.120 0.004 0.000 0.314 5 V C 1.361 177.226 176.094 -0.383 0.000 1.138 5 V CA -0.471 61.610 62.300 -0.365 0.000 1.034 5 V CB 1.994 33.721 31.823 -0.160 0.000 1.075 5 V HN 0.645 nan 8.190 nan 0.000 0.442 6 T N 2.222 116.807 114.554 0.053 0.000 2.652 6 T HA -0.143 4.209 4.350 0.004 0.000 0.267 6 T C 1.780 176.295 174.700 -0.308 0.000 1.039 6 T CA 2.288 64.414 62.100 0.045 0.000 1.153 6 T CB -0.459 68.436 68.868 0.045 0.000 0.863 6 T HN 0.961 nan 8.240 nan 0.000 0.428 7 G N 2.082 110.728 108.800 -0.257 0.000 2.404 7 G HA2 -0.192 3.770 3.960 0.004 0.000 0.215 7 G HA3 -0.192 3.770 3.960 0.004 0.000 0.215 7 G C 1.503 176.337 174.900 -0.110 0.000 1.174 7 G CA 1.227 46.203 45.100 -0.208 0.000 0.780 7 G HN 0.640 nan 8.290 nan 0.000 0.537 8 K N 0.240 120.565 120.400 -0.124 0.000 1.991 8 K HA 0.417 4.740 4.320 0.004 0.000 0.208 8 K C 2.557 179.089 176.600 -0.113 0.000 1.038 8 K CA 1.280 57.509 56.287 -0.097 0.000 0.943 8 K CB -0.389 32.052 32.500 -0.098 0.000 0.736 8 K HN 0.143 nan 8.250 nan 0.000 0.440 9 A N 0.559 123.227 122.820 -0.252 0.000 1.973 9 A HA 0.267 4.589 4.320 0.004 0.000 0.210 9 A C 0.264 177.854 177.584 0.010 0.000 1.200 9 A CA -0.260 51.679 52.037 -0.163 0.000 0.707 9 A CB -0.140 18.690 19.000 -0.284 0.000 0.862 9 A HN 0.225 nan 8.150 nan 0.000 0.461 10 F N 1.333 121.232 119.950 -0.084 0.000 2.389 10 F HA 0.422 4.957 4.527 0.013 0.000 0.337 10 F C -1.955 173.756 175.800 -0.148 0.000 1.112 10 F CA -3.407 54.510 58.000 -0.139 0.000 1.192 10 F CB -0.048 38.849 39.000 -0.172 0.000 1.185 10 F HN 0.050 nan 8.300 nan 0.000 0.552 11 P HA 0.152 nan 4.420 nan 0.000 0.278 11 P C -1.375 175.959 177.300 0.056 0.000 1.258 11 P CA -0.306 62.842 63.100 0.080 0.000 0.811 11 P CB 0.647 32.390 31.700 0.071 0.000 1.063 12 Y N -0.492 119.878 120.300 0.116 0.000 2.359 12 Y HA 0.247 4.799 4.550 0.003 0.000 0.334 12 Y C 0.764 176.734 175.900 0.116 0.000 1.058 12 Y CA 0.021 58.208 58.100 0.144 0.000 1.244 12 Y CB 0.642 39.188 38.460 0.143 0.000 1.187 12 Y HN 0.001 nan 8.280 nan 0.000 0.510 13 V N 4.668 124.743 119.914 0.269 0.000 2.732 13 V HA 0.750 4.872 4.120 0.004 0.000 0.310 13 V C -0.239 175.951 176.094 0.161 0.000 1.053 13 V CA -0.929 61.478 62.300 0.179 0.000 0.957 13 V CB 1.655 33.582 31.823 0.174 0.000 1.018 13 V HN 0.592 nan 8.190 nan 0.000 0.452 14 V N 0.973 120.931 119.914 0.073 0.000 3.159 14 V HA 0.758 4.881 4.120 0.004 0.000 0.308 14 V C -0.689 175.395 176.094 -0.016 0.000 1.190 14 V CA -0.883 61.425 62.300 0.013 0.000 1.037 14 V CB 1.976 33.738 31.823 -0.101 0.000 1.060 14 V HN 0.493 nan 8.190 nan 0.000 0.437 15 V N 2.335 122.236 119.914 -0.021 0.000 2.432 15 V HA 0.469 4.591 4.120 0.004 0.000 0.275 15 V C 1.326 177.369 176.094 -0.086 0.000 1.043 15 V CA 0.707 62.995 62.300 -0.020 0.000 0.925 15 V CB 1.037 32.879 31.823 0.032 0.000 0.985 15 V HN 1.223 nan 8.190 nan 0.000 0.466 16 T N 0.341 114.838 114.554 -0.095 0.000 2.959 16 T HA 0.433 4.785 4.350 0.004 0.000 0.254 16 T C 0.590 175.217 174.700 -0.122 0.000 1.003 16 T CA 0.430 62.456 62.100 -0.124 0.000 0.950 16 T CB 0.701 69.483 68.868 -0.143 0.000 1.090 16 T HN 0.918 nan 8.240 nan 0.000 0.503 17 G N 1.369 110.106 108.800 -0.105 0.000 2.684 17 G HA2 0.698 4.660 3.960 0.004 0.000 0.290 17 G HA3 0.698 4.660 3.960 0.004 0.000 0.290 17 G C -1.811 173.048 174.900 -0.068 0.000 1.425 17 G CA -1.112 43.931 45.100 -0.096 0.000 0.822 17 G HN 0.739 nan 8.290 nan 0.000 0.482 18 I N -2.925 117.610 120.570 -0.058 0.000 2.752 18 I HA 0.892 5.064 4.170 0.004 0.000 0.295 18 I C -0.709 175.391 176.117 -0.028 0.000 1.219 18 I CA -1.399 59.872 61.300 -0.049 0.000 1.030 18 I CB 2.338 40.293 38.000 -0.075 0.000 1.259 18 I HN 1.062 nan 8.210 nan 0.000 0.423 19 A N 7.142 129.952 122.820 -0.016 0.000 2.480 19 A HA 0.837 5.159 4.320 0.004 0.000 0.289 19 A C -0.750 176.840 177.584 0.010 0.000 1.044 19 A CA -0.524 51.515 52.037 0.004 0.000 0.761 19 A CB 1.648 20.657 19.000 0.014 0.000 1.289 19 A HN 1.052 nan 8.150 nan 0.000 0.401 20 M N 0.069 119.684 119.600 0.025 0.000 2.813 20 M HA 0.869 5.351 4.480 0.004 0.000 0.270 20 M C -0.849 175.491 176.300 0.067 0.000 1.267 20 M CA -0.552 54.770 55.300 0.037 0.000 0.822 20 M CB 2.077 34.693 32.600 0.027 0.000 1.671 20 M HN 0.646 nan 8.290 nan 0.000 0.468 21 T N 1.232 115.838 114.554 0.086 0.000 3.031 21 T HA 0.664 5.016 4.350 0.004 0.000 0.305 21 T C -0.870 173.894 174.700 0.108 0.000 0.985 21 T CA 0.055 62.223 62.100 0.114 0.000 1.008 21 T CB 1.067 70.041 68.868 0.177 0.000 1.005 21 T HN 1.040 nan 8.240 nan 0.000 0.444 22 T N 1.547 116.158 114.554 0.096 0.000 2.676 22 T HA 0.756 5.108 4.350 0.004 0.000 0.269 22 T C 1.639 176.395 174.700 0.095 0.000 0.952 22 T CA -0.140 62.016 62.100 0.093 0.000 1.040 22 T CB 0.783 69.700 68.868 0.082 0.000 1.352 22 T HN 0.478 nan 8.240 nan 0.000 0.554 23 A N -0.492 122.380 122.820 0.086 0.000 2.119 23 A HA 0.290 4.612 4.320 0.004 0.000 0.217 23 A C 2.092 179.722 177.584 0.077 0.000 1.153 23 A CA 0.641 52.728 52.037 0.083 0.000 0.692 23 A CB -0.991 18.034 19.000 0.042 0.000 0.799 23 A HN 0.707 nan 8.150 nan 0.000 0.458 24 L N -1.919 119.347 121.223 0.071 0.000 2.253 24 L HA 0.338 4.680 4.340 0.004 0.000 0.205 24 L C 1.077 177.987 176.870 0.068 0.000 1.078 24 L CA 0.663 55.543 54.840 0.066 0.000 0.805 24 L CB 0.013 42.111 42.059 0.065 0.000 0.963 24 L HN 0.419 nan 8.230 nan 0.000 0.459 25 A N -1.751 121.114 122.820 0.075 0.000 2.593 25 A HA 0.413 4.735 4.320 0.004 0.000 0.290 25 A C 0.204 177.831 177.584 0.072 0.000 1.126 25 A CA -0.175 51.904 52.037 0.070 0.000 0.695 25 A CB 1.153 20.198 19.000 0.075 0.000 1.290 25 A HN -0.147 nan 8.150 nan 0.000 0.414 26 T N -0.397 114.196 114.554 0.065 0.000 3.129 26 T HA 0.242 4.594 4.350 0.004 0.000 0.251 26 T C 0.068 174.814 174.700 0.076 0.000 1.117 26 T CA 1.370 63.510 62.100 0.067 0.000 1.034 26 T CB -0.844 68.057 68.868 0.055 0.000 0.968 26 T HN 0.878 nan 8.240 nan 0.000 0.526 27 D N -1.828 118.615 120.400 0.072 0.000 2.626 27 D HA 0.647 5.289 4.640 0.004 0.000 0.278 27 D C 0.909 177.250 176.300 0.068 0.000 1.211 27 D CA -0.367 53.673 54.000 0.067 0.000 0.903 27 D CB 0.696 41.532 40.800 0.059 0.000 1.408 27 D HN -0.145 nan 8.370 nan 0.000 0.454 28 A N -0.291 122.561 122.820 0.053 0.000 1.898 28 A HA -0.030 4.292 4.320 0.004 0.000 0.214 28 A C 1.931 179.562 177.584 0.077 0.000 1.183 28 A CA 1.374 53.439 52.037 0.048 0.000 0.622 28 A CB -0.920 18.079 19.000 -0.002 0.000 0.824 28 A HN 0.598 nan 8.150 nan 0.000 0.444 29 E N -0.128 120.110 120.200 0.063 0.000 2.038 29 E HA -0.118 4.235 4.350 0.004 0.000 0.195 29 E C 2.127 178.818 176.600 0.153 0.000 1.000 29 E CA 2.043 58.501 56.400 0.096 0.000 0.803 29 E CB -0.568 29.170 29.700 0.063 0.000 0.750 29 E HN 0.533 nan 8.360 nan 0.000 0.448 30 T N -0.403 114.218 114.554 0.112 0.000 2.746 30 T HA -0.127 4.225 4.350 0.004 0.000 0.267 30 T C 1.856 176.629 174.700 0.122 0.000 1.039 30 T CA 1.709 63.871 62.100 0.103 0.000 1.142 30 T CB -0.597 68.315 68.868 0.074 0.000 0.866 30 T HN 0.211 nan 8.240 nan 0.000 0.444 31 T N 0.984 115.620 114.554 0.135 0.000 2.720 31 T HA -0.150 4.202 4.350 0.004 0.000 0.268 31 T C 1.494 176.318 174.700 0.206 0.000 1.037 31 T CA 1.107 63.294 62.100 0.146 0.000 1.144 31 T CB -0.393 68.561 68.868 0.142 0.000 0.864 31 T HN 0.562 nan 8.240 nan 0.000 0.444 32 W N 2.157 123.469 121.300 0.020 0.000 2.335 32 W HA -0.194 4.469 4.660 0.004 0.000 0.311 32 W C 1.979 178.501 176.519 0.004 0.000 1.213 32 W CA 1.259 58.611 57.345 0.013 0.000 1.274 32 W CB -0.138 29.326 29.460 0.006 0.000 1.148 32 W HN 0.281 nan 8.180 nan 0.000 0.498 33 K N 0.347 120.804 120.400 0.095 0.000 2.009 33 K HA -0.217 4.105 4.320 0.004 0.000 0.210 33 K C 2.012 178.559 176.600 -0.088 0.000 1.049 33 K CA 2.094 58.354 56.287 -0.046 0.000 0.929 33 K CB -0.917 31.602 32.500 0.033 0.000 0.714 33 K HN 0.231 nan 8.250 nan 0.000 0.440 34 L N 0.976 122.187 121.223 -0.020 0.000 2.127 34 L HA -0.191 4.151 4.340 0.004 0.000 0.211 34 L C 2.360 179.197 176.870 -0.054 0.000 1.089 34 L CA 0.944 55.771 54.840 -0.022 0.000 0.757 34 L CB -0.485 41.586 42.059 0.019 0.000 0.899 34 L HN 0.199 nan 8.230 nan 0.000 0.434 35 L N -0.590 120.586 121.223 -0.078 0.000 2.217 35 L HA -0.168 4.174 4.340 0.004 0.000 0.211 35 L C 2.327 179.053 176.870 -0.240 0.000 1.107 35 L CA 0.891 55.666 54.840 -0.108 0.000 0.783 35 L CB -0.115 41.906 42.059 -0.063 0.000 0.919 35 L HN 0.292 nan 8.230 nan 0.000 0.442 36 L N -1.151 119.866 121.223 -0.342 0.000 2.270 36 L HA -0.072 4.271 4.340 0.004 0.000 0.210 36 L C 1.374 178.119 176.870 -0.208 0.000 1.104 36 L CA 0.404 55.028 54.840 -0.360 0.000 0.804 36 L CB -0.288 41.500 42.059 -0.452 0.000 0.937 36 L HN 0.134 nan 8.230 nan 0.000 0.450 37 D N 1.646 121.958 120.400 -0.147 0.000 2.413 37 D HA -0.036 4.607 4.640 0.004 0.000 0.237 37 D C 0.424 176.682 176.300 -0.070 0.000 1.171 37 D CA -0.307 53.638 54.000 -0.092 0.000 0.839 37 D CB -0.048 40.713 40.800 -0.065 0.000 0.950 37 D HN 0.215 nan 8.370 nan 0.000 0.499 38 R N -0.167 120.282 120.500 -0.084 0.000 3.184 38 R HA -0.256 4.086 4.340 0.004 0.000 0.242 38 R C -0.776 175.509 176.300 -0.025 0.000 0.907 38 R CA 0.667 56.736 56.100 -0.052 0.000 0.618 38 R CB -2.690 27.583 30.300 -0.044 0.000 1.016 38 R HN 0.336 nan 8.270 nan 0.000 0.469 39 Q N 0.690 120.477 119.800 -0.020 0.000 2.309 39 Q HA 0.454 4.796 4.340 0.004 0.000 0.264 39 Q C -0.420 175.585 176.000 0.009 0.000 1.008 39 Q CA -0.689 55.111 55.803 -0.005 0.000 0.853 39 Q CB 2.321 31.056 28.738 -0.005 0.000 1.314 39 Q HN 0.368 nan 8.270 nan 0.000 0.448 40 S N 0.120 115.826 115.700 0.011 0.000 2.687 40 S HA 0.608 5.080 4.470 0.004 0.000 0.283 40 S C 0.502 175.109 174.600 0.012 0.000 1.170 40 S CA -0.176 58.032 58.200 0.013 0.000 1.008 40 S CB 0.976 64.180 63.200 0.007 0.000 1.026 40 S HN 0.782 nan 8.310 nan 0.000 0.541 41 G N 1.926 110.730 108.800 0.007 0.000 3.519 41 G HA2 0.309 4.272 3.960 0.004 0.000 0.269 41 G HA3 0.309 4.272 3.960 0.004 0.000 0.269 41 G C -0.061 174.808 174.900 -0.051 0.000 1.028 41 G CA -0.265 44.836 45.100 0.002 0.000 0.809 41 G HN 0.631 nan 8.290 nan 0.000 0.521 42 I N 0.993 121.529 120.570 -0.058 0.000 2.365 42 I HA 0.494 4.666 4.170 0.004 0.000 0.291 42 I C 0.392 176.461 176.117 -0.081 0.000 1.004 42 I CA -0.519 60.715 61.300 -0.109 0.000 1.311 42 I CB 1.422 39.383 38.000 -0.065 0.000 1.401 42 I HN -0.030 nan 8.210 nan 0.000 0.491 43 R N 2.529 122.957 120.500 -0.119 0.000 2.922 43 R HA 0.462 4.804 4.340 0.004 0.000 0.256 43 R C -0.802 175.510 176.300 0.019 0.000 1.138 43 R CA -0.928 55.170 56.100 -0.003 0.000 0.995 43 R CB 1.576 31.941 30.300 0.108 0.000 1.226 43 R HN 0.432 nan 8.270 nan 0.000 0.481 44 T N 2.361 116.945 114.554 0.051 0.000 2.765 44 T HA 0.031 4.383 4.350 0.004 0.000 0.284 44 T C 0.030 174.779 174.700 0.082 0.000 0.946 44 T CA -0.134 61.991 62.100 0.041 0.000 1.185 44 T CB -0.072 68.810 68.868 0.023 0.000 0.887 44 T HN 0.168 nan 8.240 nan 0.000 0.532 45 L N 5.043 126.304 121.223 0.063 0.000 2.698 45 L HA 0.103 4.445 4.340 0.004 0.000 0.272 45 L C -0.440 176.424 176.870 -0.010 0.000 1.154 45 L CA 0.292 55.181 54.840 0.082 0.000 0.964 45 L CB -0.250 41.846 42.059 0.062 0.000 1.272 45 L HN 0.472 nan 8.230 nan 0.000 0.483 46 D N 4.308 124.693 120.400 -0.025 0.000 2.460 46 D HA 0.419 5.061 4.640 0.004 0.000 0.232 46 D C -0.595 175.583 176.300 -0.203 0.000 1.079 46 D CA -0.191 53.739 54.000 -0.117 0.000 0.864 46 D CB 1.186 41.937 40.800 -0.082 0.000 1.048 46 D HN 0.496 nan 8.370 nan 0.000 0.523 47 D N 0.240 120.428 120.400 -0.353 0.000 2.781 47 D HA 0.354 4.996 4.640 0.004 0.000 0.295 47 D C -1.483 174.517 176.300 -0.500 0.000 1.143 47 D CA -1.210 52.511 54.000 -0.464 0.000 1.076 47 D CB 1.995 42.381 40.800 -0.690 0.000 1.444 47 D HN -0.016 nan 8.370 nan 0.000 0.567 48 P HA -0.066 nan 4.420 nan 0.000 0.212 48 P C 1.465 178.467 177.300 -0.497 0.000 1.180 48 P CA 1.191 64.115 63.100 -0.294 0.000 0.902 48 P CB -0.284 31.358 31.700 -0.097 0.000 0.778 49 F N -0.543 119.137 119.950 -0.451 0.000 2.668 49 F HA 0.008 4.537 4.527 0.004 0.000 0.293 49 F C 1.193 176.725 175.800 -0.446 0.000 1.258 49 F CA -0.138 57.416 58.000 -0.743 0.000 1.480 49 F CB -1.765 36.955 39.000 -0.467 0.000 1.122 49 F HN -0.287 nan 8.300 nan 0.000 0.611 50 V N 0.456 119.982 119.914 -0.647 0.000 2.523 50 V HA -0.112 4.010 4.120 0.004 0.000 0.226 50 V C 2.447 178.432 176.094 -0.182 0.000 1.107 50 V CA 1.227 63.294 62.300 -0.388 0.000 1.121 50 V CB -0.510 31.059 31.823 -0.423 0.000 0.753 50 V HN 0.344 nan 8.190 nan 0.000 0.497 51 E N 0.067 120.184 120.200 -0.140 0.000 2.333 51 E HA -0.230 4.122 4.350 0.004 0.000 0.198 51 E C 1.845 178.456 176.600 0.018 0.000 1.007 51 E CA 1.393 57.764 56.400 -0.049 0.000 0.845 51 E CB 0.323 29.997 29.700 -0.044 0.000 0.766 51 E HN 0.666 nan 8.360 nan 0.000 0.507 52 E N -1.059 119.163 120.200 0.038 0.000 2.094 52 E HA 0.001 4.353 4.350 0.004 0.000 0.193 52 E C 1.858 178.690 176.600 0.386 0.000 0.950 52 E CA 0.935 57.479 56.400 0.240 0.000 0.842 52 E CB -0.212 29.760 29.700 0.454 0.000 0.816 52 E HN 0.354 nan 8.360 nan 0.000 0.465 53 F N 0.016 120.005 119.950 0.065 0.000 2.317 53 F HA 0.216 4.746 4.527 0.004 0.000 0.293 53 F C 0.041 175.888 175.800 0.079 0.000 1.085 53 F CA 0.491 58.547 58.000 0.092 0.000 1.390 53 F CB 0.206 39.252 39.000 0.077 0.000 1.077 53 F HN -0.061 nan 8.300 nan 0.000 0.517 54 D N 1.341 121.843 120.400 0.171 0.000 3.943 54 D HA -0.143 4.499 4.640 0.004 0.000 0.229 54 D C -1.468 174.895 176.300 0.105 0.000 1.096 54 D CA 0.189 54.263 54.000 0.122 0.000 1.008 54 D CB -1.092 39.763 40.800 0.092 0.000 0.746 54 D HN 0.441 nan 8.370 nan 0.000 0.348 55 L N 3.366 124.644 121.223 0.090 0.000 2.376 55 L HA 0.549 4.891 4.340 0.004 0.000 0.258 55 L C -1.133 175.773 176.870 0.059 0.000 1.013 55 L CA -1.499 53.389 54.840 0.079 0.000 0.822 55 L CB 2.038 44.154 42.059 0.094 0.000 1.388 55 L HN 0.033 nan 8.230 nan 0.000 0.413 56 P HA -0.017 nan 4.420 nan 0.000 0.229 56 P C 0.131 177.442 177.300 0.018 0.000 1.160 56 P CA 0.573 63.690 63.100 0.027 0.000 0.777 56 P CB 0.370 32.081 31.700 0.019 0.000 0.814 57 V N 1.984 121.913 119.914 0.024 0.000 2.408 57 V HA 0.215 4.337 4.120 0.004 0.000 0.267 57 V C 1.149 177.260 176.094 0.028 0.000 1.047 57 V CA -0.029 62.276 62.300 0.009 0.000 0.937 57 V CB 0.573 32.392 31.823 -0.007 0.000 0.999 57 V HN 0.005 nan 8.190 nan 0.000 0.472 58 R N 5.124 125.632 120.500 0.013 0.000 2.816 58 R HA 0.511 4.853 4.340 0.004 0.000 0.382 58 R C -0.437 175.869 176.300 0.010 0.000 1.140 58 R CA -0.098 56.008 56.100 0.011 0.000 1.050 58 R CB 0.435 30.733 30.300 -0.002 0.000 1.396 58 R HN 0.854 nan 8.270 nan 0.000 0.583 59 I N -4.140 116.439 120.570 0.014 0.000 3.006 59 I HA 0.911 5.083 4.170 0.004 0.000 0.306 59 I C -0.659 175.465 176.117 0.012 0.000 1.250 59 I CA -1.155 60.145 61.300 0.001 0.000 0.996 59 I CB 2.706 40.692 38.000 -0.024 0.000 1.261 59 I HN 0.091 nan 8.210 nan 0.000 0.442 60 G N 1.404 110.182 108.800 -0.037 0.000 2.378 60 G HA2 0.480 4.442 3.960 0.004 0.000 0.302 60 G HA3 0.480 4.442 3.960 0.004 0.000 0.302 60 G C -0.859 173.903 174.900 -0.230 0.000 1.669 60 G CA -0.258 44.824 45.100 -0.029 0.000 0.920 60 G HN 1.064 nan 8.290 nan 0.000 0.697 61 G N 0.852 109.564 108.800 -0.148 0.000 2.403 61 G HA2 0.610 4.572 3.960 0.004 0.000 0.259 61 G HA3 0.610 4.572 3.960 0.004 0.000 0.259 61 G C 0.029 174.831 174.900 -0.163 0.000 1.244 61 G CA -0.183 44.777 45.100 -0.234 0.000 0.849 61 G HN 1.028 nan 8.290 nan 0.000 0.532 62 H N 0.609 119.718 119.070 0.066 0.000 2.865 62 H HA 0.451 5.009 4.556 0.004 0.000 0.372 62 H C -0.509 174.851 175.328 0.053 0.000 1.173 62 H CA -1.257 54.828 56.048 0.062 0.000 1.147 62 H CB 1.477 31.264 29.762 0.041 0.000 1.805 62 H HN 0.242 nan 8.280 nan 0.000 0.553 63 L N 1.660 123.013 121.223 0.216 0.000 2.461 63 L HA 0.010 4.352 4.340 0.004 0.000 0.272 63 L C 0.678 177.587 176.870 0.065 0.000 1.197 63 L CA -0.277 54.637 54.840 0.124 0.000 0.836 63 L CB 0.519 42.637 42.059 0.099 0.000 1.105 63 L HN 0.502 nan 8.230 nan 0.000 0.477 64 L N 2.801 124.048 121.223 0.040 0.000 2.978 64 L HA 0.260 4.602 4.340 0.004 0.000 0.239 64 L C -0.095 176.759 176.870 -0.027 0.000 1.293 64 L CA -0.011 54.837 54.840 0.014 0.000 1.085 64 L CB -0.453 41.630 42.059 0.039 0.000 1.432 64 L HN 0.706 nan 8.230 nan 0.000 0.512 65 E N -1.983 118.160 120.200 -0.094 0.000 2.396 65 E HA 0.446 4.798 4.350 0.004 0.000 0.280 65 E C -1.477 174.924 176.600 -0.332 0.000 1.065 65 E CA -0.996 55.312 56.400 -0.153 0.000 0.831 65 E CB 1.361 30.960 29.700 -0.167 0.000 1.272 65 E HN -0.168 nan 8.360 nan 0.000 0.443 66 E N 0.952 120.995 120.200 -0.261 0.000 2.221 66 E HA 0.331 4.683 4.350 0.004 0.000 0.268 66 E C -0.532 175.734 176.600 -0.557 0.000 0.933 66 E CA -0.690 55.514 56.400 -0.325 0.000 0.809 66 E CB 1.068 30.746 29.700 -0.037 0.000 1.190 66 E HN 0.609 nan 8.360 nan 0.000 0.406 67 F N 0.168 120.061 119.950 -0.096 0.000 2.727 67 F HA 0.069 4.598 4.527 0.004 0.000 0.302 67 F C 1.197 176.893 175.800 -0.174 0.000 1.097 67 F CA -0.056 57.846 58.000 -0.163 0.000 1.330 67 F CB 0.573 39.526 39.000 -0.077 0.000 1.084 67 F HN 0.345 nan 8.300 nan 0.000 0.578 68 D N -0.935 119.460 120.400 -0.007 0.000 2.183 68 D HA -0.156 4.486 4.640 0.004 0.000 0.203 68 D C 1.430 177.743 176.300 0.023 0.000 0.969 68 D CA 1.125 55.142 54.000 0.027 0.000 0.842 68 D CB -0.195 40.643 40.800 0.063 0.000 0.957 68 D HN 0.453 nan 8.370 nan 0.000 0.484 69 H N -1.112 117.992 119.070 0.057 0.000 2.519 69 H HA 0.340 4.898 4.556 0.004 0.000 0.289 69 H C 0.667 176.025 175.328 0.050 0.000 1.040 69 H CA -0.007 56.065 56.048 0.041 0.000 1.165 69 H CB -0.126 29.649 29.762 0.022 0.000 1.462 69 H HN 0.041 nan 8.280 nan 0.000 0.555 70 Q N 1.061 120.805 119.800 -0.093 0.000 2.194 70 Q HA 0.298 4.640 4.340 0.004 0.000 0.214 70 Q C -0.068 175.947 176.000 0.024 0.000 0.838 70 Q CA -0.133 55.666 55.803 -0.006 0.000 0.972 70 Q CB 1.120 29.823 28.738 -0.058 0.000 1.131 70 Q HN 0.574 nan 8.270 nan 0.000 0.498 71 L N -3.943 117.295 121.223 0.024 0.000 2.801 71 L HA 0.647 4.989 4.340 0.004 0.000 0.264 71 L C -0.099 176.785 176.870 0.022 0.000 1.086 71 L CA -1.168 53.682 54.840 0.017 0.000 0.920 71 L CB 1.065 43.122 42.059 -0.004 0.000 1.529 71 L HN -0.106 nan 8.230 nan 0.000 0.399 72 T N -2.073 112.488 114.554 0.013 0.000 2.766 72 T HA 0.213 4.565 4.350 0.004 0.000 0.295 72 T C 0.890 175.600 174.700 0.016 0.000 1.024 72 T CA 0.241 62.350 62.100 0.014 0.000 1.018 72 T CB 1.326 70.198 68.868 0.007 0.000 1.002 72 T HN 0.859 nan 8.240 nan 0.000 0.532 73 R N -0.195 120.316 120.500 0.018 0.000 2.075 73 R HA 0.051 4.393 4.340 0.004 0.000 0.232 73 R C 2.185 178.493 176.300 0.014 0.000 1.126 73 R CA 1.286 57.398 56.100 0.019 0.000 0.963 73 R CB -0.898 29.414 30.300 0.020 0.000 0.858 73 R HN 0.725 nan 8.270 nan 0.000 0.435 74 I N 0.958 121.533 120.570 0.008 0.000 2.439 74 I HA -0.128 4.044 4.170 0.004 0.000 0.251 74 I C 1.329 177.443 176.117 -0.005 0.000 1.139 74 I CA 1.545 62.846 61.300 0.002 0.000 1.438 74 I CB -0.044 37.955 38.000 -0.001 0.000 1.085 74 I HN 0.253 nan 8.210 nan 0.000 0.427 75 E N -0.182 120.013 120.200 -0.008 0.000 2.347 75 E HA -0.137 4.215 4.350 0.004 0.000 0.196 75 E C 2.197 178.785 176.600 -0.020 0.000 1.008 75 E CA 0.709 57.098 56.400 -0.019 0.000 0.852 75 E CB -0.038 29.648 29.700 -0.024 0.000 0.783 75 E HN 0.503 nan 8.360 nan 0.000 0.505 76 L N 0.135 121.354 121.223 -0.006 0.000 2.044 76 L HA -0.108 4.234 4.340 0.004 0.000 0.205 76 L C 2.464 179.328 176.870 -0.010 0.000 1.075 76 L CA 1.087 55.926 54.840 -0.002 0.000 0.747 76 L CB -0.174 41.894 42.059 0.016 0.000 0.903 76 L HN 0.014 nan 8.230 nan 0.000 0.435 77 R N -0.387 120.112 120.500 -0.001 0.000 2.115 77 R HA -0.133 4.209 4.340 0.004 0.000 0.226 77 R C 2.181 178.474 176.300 -0.013 0.000 1.100 77 R CA 0.762 56.864 56.100 0.003 0.000 0.980 77 R CB -0.152 30.158 30.300 0.016 0.000 0.875 77 R HN 0.060 nan 8.270 nan 0.000 0.445 78 R N 0.314 120.802 120.500 -0.020 0.000 2.323 78 R HA 0.135 4.477 4.340 0.004 0.000 0.198 78 R C -0.150 176.121 176.300 -0.047 0.000 0.988 78 R CA 0.754 56.835 56.100 -0.032 0.000 1.041 78 R CB 0.294 30.576 30.300 -0.030 0.000 0.926 78 R HN 0.032 nan 8.270 nan 0.000 0.476 79 M N -1.799 117.770 119.600 -0.051 0.000 2.575 79 M HA 0.429 4.911 4.480 0.004 0.000 0.284 79 M C 0.027 176.288 176.300 -0.064 0.000 1.253 79 M CA -0.976 54.285 55.300 -0.065 0.000 0.861 79 M CB 2.350 34.905 32.600 -0.075 0.000 1.733 79 M HN 0.038 nan 8.290 nan 0.000 0.462 80 G N -0.386 108.377 108.800 -0.061 0.000 2.557 80 G HA2 0.349 4.311 3.960 0.004 0.000 0.302 80 G HA3 0.349 4.311 3.960 0.004 0.000 0.302 80 G C -0.130 174.773 174.900 0.006 0.000 1.311 80 G CA -0.174 44.904 45.100 -0.035 0.000 1.030 80 G HN 0.785 nan 8.290 nan 0.000 0.509 81 Y N 0.047 120.307 120.300 -0.067 0.000 2.030 81 Y HA -0.221 4.332 4.550 0.004 0.000 0.274 81 Y C 2.709 178.566 175.900 -0.071 0.000 1.153 81 Y CA 2.114 60.193 58.100 -0.034 0.000 1.115 81 Y CB -0.473 37.988 38.460 0.002 0.000 0.969 81 Y HN 0.238 nan 8.280 nan 0.000 0.488 82 L N -0.115 121.012 121.223 -0.161 0.000 2.043 82 L HA -0.322 4.021 4.340 0.004 0.000 0.212 82 L C 2.525 179.224 176.870 -0.285 0.000 1.075 82 L CA 1.945 56.623 54.840 -0.271 0.000 0.752 82 L CB -0.876 41.134 42.059 -0.081 0.000 0.891 82 L HN 0.373 nan 8.230 nan 0.000 0.432 83 Q N -0.177 119.511 119.800 -0.188 0.000 2.124 83 Q HA -0.198 4.144 4.340 0.004 0.000 0.202 83 Q C 2.370 178.225 176.000 -0.242 0.000 0.977 83 Q CA 1.392 57.090 55.803 -0.175 0.000 0.850 83 Q CB -0.127 28.543 28.738 -0.114 0.000 0.901 83 Q HN 0.509 nan 8.270 nan 0.000 0.429 84 R N 0.130 120.457 120.500 -0.289 0.000 2.090 84 R HA -0.046 4.296 4.340 0.004 0.000 0.228 84 R C 2.274 178.189 176.300 -0.641 0.000 1.110 84 R CA 1.188 57.082 56.100 -0.344 0.000 0.973 84 R CB -0.275 29.887 30.300 -0.231 0.000 0.869 84 R HN 0.314 nan 8.270 nan 0.000 0.440 85 M N 1.065 120.133 119.600 -0.886 0.000 2.059 85 M HA -0.195 4.287 4.480 0.004 0.000 0.259 85 M C 2.314 178.250 176.300 -0.606 0.000 1.072 85 M CA 2.357 56.962 55.300 -1.157 0.000 1.117 85 M CB -0.128 31.895 32.600 -0.962 0.000 1.320 85 M HN 0.180 nan 8.290 nan 0.000 0.408 86 S N -0.544 114.921 115.700 -0.392 0.000 2.359 86 S HA -0.178 4.294 4.470 0.004 0.000 0.224 86 S C 1.776 176.255 174.600 -0.201 0.000 1.035 86 S CA 2.040 60.100 58.200 -0.234 0.000 1.018 86 S CB -1.494 61.603 63.200 -0.172 0.000 0.876 86 S HN 0.614 nan 8.310 nan 0.000 0.448 87 T N 2.367 116.789 114.554 -0.219 0.000 2.635 87 T HA -0.096 4.257 4.350 0.004 0.000 0.267 87 T C 1.905 176.516 174.700 -0.149 0.000 1.040 87 T CA 1.765 63.764 62.100 -0.168 0.000 1.156 87 T CB -0.754 68.015 68.868 -0.165 0.000 0.863 87 T HN 0.322 nan 8.240 nan 0.000 0.430 88 V N 1.288 121.080 119.914 -0.203 0.000 2.343 88 V HA -0.101 4.021 4.120 0.004 0.000 0.247 88 V C 2.494 178.547 176.094 -0.068 0.000 1.051 88 V CA 1.430 63.655 62.300 -0.125 0.000 1.036 88 V CB -0.686 31.054 31.823 -0.139 0.000 0.654 88 V HN 0.433 nan 8.190 nan 0.000 0.451 89 L N 0.771 121.933 121.223 -0.101 0.000 2.056 89 L HA -0.159 4.183 4.340 0.004 0.000 0.207 89 L C 2.816 179.682 176.870 -0.007 0.000 1.078 89 L CA 1.824 56.641 54.840 -0.038 0.000 0.749 89 L CB -0.766 41.260 42.059 -0.056 0.000 0.901 89 L HN 0.577 nan 8.230 nan 0.000 0.433 90 S N 0.191 115.878 115.700 -0.022 0.000 2.370 90 S HA -0.234 4.238 4.470 0.004 0.000 0.226 90 S C 2.082 176.729 174.600 0.078 0.000 1.033 90 S CA 1.011 59.228 58.200 0.027 0.000 1.011 90 S CB -0.401 62.789 63.200 -0.015 0.000 0.852 90 S HN 0.363 nan 8.310 nan 0.000 0.457 91 R N 1.151 121.669 120.500 0.030 0.000 2.083 91 R HA 0.019 4.361 4.340 0.004 0.000 0.237 91 R C 2.879 179.238 176.300 0.100 0.000 1.137 91 R CA 1.702 57.835 56.100 0.054 0.000 0.951 91 R CB -0.377 29.928 30.300 0.008 0.000 0.851 91 R HN 0.495 nan 8.270 nan 0.000 0.434 92 R N 0.441 120.982 120.500 0.069 0.000 2.081 92 R HA -0.119 4.224 4.340 0.004 0.000 0.235 92 R C 2.375 178.716 176.300 0.070 0.000 1.131 92 R CA 1.092 57.232 56.100 0.065 0.000 0.960 92 R CB -0.494 29.837 30.300 0.051 0.000 0.856 92 R HN 0.119 nan 8.270 nan 0.000 0.436 93 L N 0.309 121.577 121.223 0.075 0.000 2.017 93 L HA -0.159 4.184 4.340 0.004 0.000 0.208 93 L C 1.896 178.810 176.870 0.073 0.000 1.073 93 L CA 1.633 56.508 54.840 0.059 0.000 0.745 93 L CB -0.520 41.577 42.059 0.063 0.000 0.894 93 L HN 0.325 nan 8.230 nan 0.000 0.432 94 W N 0.550 121.832 121.300 -0.029 0.000 2.525 94 W HA -0.163 4.500 4.660 0.004 0.000 0.259 94 W C 2.092 178.599 176.519 -0.020 0.000 1.253 94 W CA 1.573 58.902 57.345 -0.028 0.000 1.262 94 W CB 0.167 29.606 29.460 -0.035 0.000 1.122 94 W HN 0.479 nan 8.180 nan 0.000 0.607 95 E N -0.134 120.147 120.200 0.136 0.000 2.102 95 E HA -0.154 4.198 4.350 0.004 0.000 0.190 95 E C 1.864 178.461 176.600 -0.006 0.000 0.971 95 E CA 0.578 57.022 56.400 0.074 0.000 0.821 95 E CB -0.160 29.588 29.700 0.080 0.000 0.777 95 E HN 0.021 nan 8.360 nan 0.000 0.460 96 N N 1.003 119.692 118.700 -0.018 0.000 2.069 96 N HA -0.163 4.579 4.740 0.004 0.000 0.191 96 N C 1.738 177.194 175.510 -0.089 0.000 1.031 96 N CA 1.394 54.419 53.050 -0.043 0.000 0.852 96 N CB -0.382 38.081 38.487 -0.039 0.000 1.018 96 N HN 0.197 nan 8.380 nan 0.000 0.423 97 A N 0.094 122.822 122.820 -0.153 0.000 2.070 97 A HA 0.150 4.472 4.320 0.004 0.000 0.220 97 A C 1.377 178.831 177.584 -0.217 0.000 1.159 97 A CA 1.566 53.465 52.037 -0.228 0.000 0.656 97 A CB -0.517 18.249 19.000 -0.391 0.000 0.800 97 A HN 0.441 nan 8.150 nan 0.000 0.453 98 G N -1.789 106.905 108.800 -0.176 0.000 2.226 98 G HA2 0.009 3.971 3.960 0.004 0.000 0.176 98 G HA3 0.009 3.971 3.960 0.004 0.000 0.176 98 G C 0.282 175.115 174.900 -0.110 0.000 1.042 98 G CA 0.284 45.317 45.100 -0.112 0.000 0.732 98 G HN 1.211 nan 8.290 nan 0.000 0.494 99 S N 0.325 115.954 115.700 -0.118 0.000 3.317 99 S HA -0.146 4.326 4.470 0.004 0.000 0.358 99 S C -0.927 173.746 174.600 0.122 0.000 0.945 99 S CA 1.084 59.345 58.200 0.101 0.000 1.279 99 S CB -0.744 62.600 63.200 0.240 0.000 0.905 99 S HN 0.968 nan 8.310 nan 0.000 0.507 100 P HA 0.207 nan 4.420 nan 0.000 0.272 100 P C -0.213 177.281 177.300 0.323 0.000 1.223 100 P CA -0.011 63.075 63.100 -0.025 0.000 0.784 100 P CB 0.660 32.199 31.700 -0.268 0.000 0.923 101 E N 1.975 122.310 120.200 0.226 0.000 2.173 101 E HA 0.275 4.627 4.350 0.004 0.000 0.249 101 E C -0.625 176.101 176.600 0.210 0.000 0.923 101 E CA -0.659 55.889 56.400 0.247 0.000 0.754 101 E CB 0.695 30.482 29.700 0.145 0.000 1.177 101 E HN 0.126 nan 8.360 nan 0.000 0.430 102 V N 1.916 122.010 119.914 0.301 0.000 3.134 102 V HA 0.152 4.274 4.120 0.004 0.000 0.313 102 V C 0.466 176.676 176.094 0.193 0.000 1.069 102 V CA -0.815 61.642 62.300 0.261 0.000 1.048 102 V CB 1.461 33.483 31.823 0.333 0.000 1.119 102 V HN 0.486 nan 8.190 nan 0.000 0.461 103 D N 1.169 121.675 120.400 0.177 0.000 2.352 103 D HA 0.096 4.738 4.640 0.004 0.000 0.245 103 D C 1.323 177.695 176.300 0.119 0.000 1.224 103 D CA 0.147 54.221 54.000 0.123 0.000 0.879 103 D CB 1.248 42.109 40.800 0.102 0.000 1.057 103 D HN 0.734 nan 8.370 nan 0.000 0.491 104 T N 0.909 115.521 114.554 0.098 0.000 3.098 104 T HA -0.098 4.254 4.350 0.004 0.000 0.266 104 T C 1.168 175.905 174.700 0.062 0.000 1.145 104 T CA 0.393 62.542 62.100 0.081 0.000 1.092 104 T CB -0.041 68.876 68.868 0.083 0.000 0.908 104 T HN 0.275 nan 8.240 nan 0.000 0.526 105 N N 1.106 119.840 118.700 0.057 0.000 2.467 105 N HA 0.075 4.817 4.740 0.004 0.000 0.184 105 N C 1.187 176.720 175.510 0.037 0.000 1.106 105 N CA 0.284 53.357 53.050 0.039 0.000 0.892 105 N CB 0.192 38.698 38.487 0.032 0.000 0.969 105 N HN 0.330 nan 8.380 nan 0.000 0.454 106 R N 0.156 120.689 120.500 0.055 0.000 2.535 106 R HA 0.225 4.567 4.340 0.004 0.000 0.323 106 R C -0.318 176.003 176.300 0.036 0.000 0.979 106 R CA -0.411 55.719 56.100 0.049 0.000 1.120 106 R CB 0.064 30.416 30.300 0.086 0.000 1.306 106 R HN 0.049 nan 8.270 nan 0.000 0.540 107 L N 2.083 123.334 121.223 0.047 0.000 2.295 107 L HA 0.558 4.900 4.340 0.004 0.000 0.285 107 L C -0.180 176.705 176.870 0.026 0.000 1.035 107 L CA -0.471 54.397 54.840 0.046 0.000 0.806 107 L CB 1.149 43.263 42.059 0.092 0.000 1.214 107 L HN 0.092 nan 8.230 nan 0.000 0.426 108 M N 4.106 123.715 119.600 0.015 0.000 2.691 108 M HA 0.868 5.350 4.480 0.004 0.000 0.293 108 M C -1.689 174.617 176.300 0.010 0.000 1.259 108 M CA -0.847 54.456 55.300 0.004 0.000 0.827 108 M CB 2.205 34.797 32.600 -0.012 0.000 1.753 108 M HN 0.213 nan 8.290 nan 0.000 0.465 109 V N 0.754 120.669 119.914 0.001 0.000 2.709 109 V HA 0.725 4.847 4.120 0.004 0.000 0.308 109 V C -1.086 175.005 176.094 -0.005 0.000 1.062 109 V CA -0.443 61.857 62.300 0.001 0.000 0.901 109 V CB 2.000 33.819 31.823 -0.006 0.000 1.003 109 V HN 0.918 nan 8.190 nan 0.000 0.425 110 S N 5.251 120.949 115.700 -0.004 0.000 2.775 110 S HA 0.730 5.202 4.470 0.004 0.000 0.277 110 S C -1.190 173.405 174.600 -0.007 0.000 1.156 110 S CA -0.380 57.816 58.200 -0.006 0.000 1.081 110 S CB 0.323 63.522 63.200 -0.001 0.000 1.054 110 S HN 0.552 nan 8.310 nan 0.000 0.482 111 I N 3.716 124.278 120.570 -0.014 0.000 2.478 111 I HA 0.578 4.750 4.170 0.004 0.000 0.287 111 I C 0.538 176.644 176.117 -0.019 0.000 1.042 111 I CA -0.881 60.408 61.300 -0.019 0.000 1.067 111 I CB 2.133 40.115 38.000 -0.029 0.000 1.233 111 I HN 0.653 nan 8.210 nan 0.000 0.431 112 G N 3.355 112.144 108.800 -0.018 0.000 2.454 112 G HA2 0.816 4.779 3.960 0.004 0.000 0.329 112 G HA3 0.816 4.779 3.960 0.004 0.000 0.329 112 G C -0.909 173.983 174.900 -0.013 0.000 1.177 112 G CA -0.380 44.709 45.100 -0.018 0.000 0.951 112 G HN 0.471 nan 8.290 nan 0.000 0.485 113 T N -0.681 113.869 114.554 -0.006 0.000 2.903 113 T HA 0.546 4.898 4.350 0.004 0.000 0.299 113 T C 1.048 175.757 174.700 0.015 0.000 1.093 113 T CA 0.204 62.310 62.100 0.009 0.000 1.002 113 T CB 2.008 70.886 68.868 0.018 0.000 1.127 113 T HN 0.657 nan 8.240 nan 0.000 0.488 114 G N 0.125 108.947 108.800 0.036 0.000 2.545 114 G HA2 0.183 4.145 3.960 0.004 0.000 0.212 114 G HA3 0.183 4.145 3.960 0.004 0.000 0.212 114 G C 0.951 175.892 174.900 0.068 0.000 1.144 114 G CA 0.115 45.246 45.100 0.052 0.000 0.813 114 G HN 0.563 nan 8.290 nan 0.000 0.531 115 L N -0.448 120.815 121.223 0.067 0.000 2.488 115 L HA 0.498 4.840 4.340 0.004 0.000 0.186 115 L C 1.389 178.288 176.870 0.048 0.000 1.124 115 L CA 0.552 55.431 54.840 0.064 0.000 0.838 115 L CB -0.622 41.472 42.059 0.059 0.000 1.107 115 L HN 0.394 nan 8.230 nan 0.000 0.494 116 G N -0.075 108.756 108.800 0.050 0.000 2.707 116 G HA2 -0.210 3.752 3.960 0.004 0.000 0.686 116 G HA3 -0.210 3.752 3.960 0.004 0.000 0.686 116 G C -0.298 174.637 174.900 0.058 0.000 1.315 116 G CA -0.484 44.647 45.100 0.051 0.000 0.832 116 G HN 0.057 nan 8.290 nan 0.000 0.573 117 S N 1.051 116.796 115.700 0.076 0.000 2.858 117 S HA 0.344 4.816 4.470 0.004 0.000 0.328 117 S C 1.498 176.145 174.600 0.078 0.000 1.149 117 S CA 0.957 59.213 58.200 0.094 0.000 1.421 117 S CB 0.161 63.434 63.200 0.123 0.000 1.461 117 S HN 1.620 nan 8.310 nan 0.000 0.587 118 A N 3.632 126.484 122.820 0.053 0.000 1.884 118 A HA 0.011 4.333 4.320 0.004 0.000 0.212 118 A C 2.008 179.618 177.584 0.043 0.000 1.265 118 A CA 0.523 52.578 52.037 0.031 0.000 0.626 118 A CB -0.458 18.548 19.000 0.011 0.000 0.943 118 A HN 0.737 nan 8.150 nan 0.000 0.466 119 E N 0.188 120.408 120.200 0.034 0.000 2.209 119 E HA -0.275 4.077 4.350 0.004 0.000 0.196 119 E C 1.580 178.236 176.600 0.094 0.000 0.993 119 E CA 1.553 57.978 56.400 0.042 0.000 0.819 119 E CB -0.359 29.340 29.700 -0.001 0.000 0.745 119 E HN 0.669 nan 8.360 nan 0.000 0.477 120 E N 0.781 121.035 120.200 0.089 0.000 2.160 120 E HA -0.124 4.228 4.350 0.004 0.000 0.195 120 E C 2.040 178.780 176.600 0.233 0.000 0.991 120 E CA 1.122 57.596 56.400 0.122 0.000 0.810 120 E CB -0.038 29.705 29.700 0.071 0.000 0.742 120 E HN 0.345 nan 8.360 nan 0.000 0.466 121 L N -0.407 120.934 121.223 0.197 0.000 2.093 121 L HA -0.142 4.200 4.340 0.004 0.000 0.208 121 L C 2.192 179.207 176.870 0.242 0.000 1.085 121 L CA 0.560 55.518 54.840 0.197 0.000 0.755 121 L CB -0.192 41.896 42.059 0.048 0.000 0.904 121 L HN 0.109 nan 8.230 nan 0.000 0.435 122 V N -0.866 119.174 119.914 0.210 0.000 2.626 122 V HA -0.274 3.848 4.120 0.004 0.000 0.252 122 V C 2.107 178.338 176.094 0.228 0.000 1.067 122 V CA 1.560 63.986 62.300 0.209 0.000 1.081 122 V CB -0.624 31.290 31.823 0.151 0.000 0.686 122 V HN 0.334 nan 8.190 nan 0.000 0.468 123 F N 2.063 122.075 119.950 0.104 0.000 2.128 123 F HA -0.161 4.368 4.527 0.004 0.000 0.295 123 F C 2.648 178.504 175.800 0.092 0.000 1.100 123 F CA 1.698 59.749 58.000 0.084 0.000 1.260 123 F CB -0.067 38.979 39.000 0.077 0.000 1.009 123 F HN 0.228 nan 8.300 nan 0.000 0.476 124 S N -1.130 114.840 115.700 0.449 0.000 2.425 124 S HA -0.170 4.302 4.470 0.004 0.000 0.225 124 S C 1.879 176.619 174.600 0.234 0.000 1.024 124 S CA 0.596 58.996 58.200 0.333 0.000 0.951 124 S CB -1.201 62.235 63.200 0.393 0.000 0.796 124 S HN 0.565 nan 8.310 nan 0.000 0.498 125 Y N 2.758 123.132 120.300 0.124 0.000 2.263 125 Y HA 0.080 4.632 4.550 0.004 0.000 0.292 125 Y C 1.074 176.992 175.900 0.030 0.000 1.130 125 Y CA 1.334 59.477 58.100 0.072 0.000 1.179 125 Y CB -0.621 37.871 38.460 0.053 0.000 0.998 125 Y HN 0.236 nan 8.280 nan 0.000 0.532 126 D N -0.481 119.838 120.400 -0.135 0.000 2.347 126 D HA -0.083 4.559 4.640 0.004 0.000 0.215 126 D C 1.488 177.663 176.300 -0.209 0.000 0.976 126 D CA 0.876 54.732 54.000 -0.240 0.000 0.884 126 D CB -0.018 40.723 40.800 -0.098 0.000 0.915 126 D HN 0.306 nan 8.370 nan 0.000 0.526 127 D N -0.062 120.238 120.400 -0.166 0.000 2.103 127 D HA -0.048 4.594 4.640 0.004 0.000 0.199 127 D C 1.905 178.132 176.300 -0.121 0.000 0.978 127 D CA 0.777 54.682 54.000 -0.159 0.000 0.829 127 D CB 0.054 40.771 40.800 -0.139 0.000 0.981 127 D HN 0.127 nan 8.370 nan 0.000 0.464 128 M N -0.285 119.252 119.600 -0.105 0.000 2.267 128 M HA -0.132 4.350 4.480 0.004 0.000 0.263 128 M C 1.369 177.602 176.300 -0.112 0.000 1.063 128 M CA 1.217 56.468 55.300 -0.082 0.000 1.090 128 M CB -0.121 32.446 32.600 -0.055 0.000 1.392 128 M HN -0.137 nan 8.290 nan 0.000 0.422 129 R N -0.381 120.014 120.500 -0.176 0.000 2.423 129 R HA 0.225 4.567 4.340 0.004 0.000 0.248 129 R C 0.990 177.220 176.300 -0.116 0.000 1.019 129 R CA 0.305 56.310 56.100 -0.159 0.000 1.119 129 R CB 0.001 30.163 30.300 -0.231 0.000 1.176 129 R HN 0.344 nan 8.270 nan 0.000 0.526 130 A N -0.628 122.132 122.820 -0.100 0.000 1.546 130 A HA 0.139 4.461 4.320 0.004 0.000 0.212 130 A C 1.572 179.118 177.584 -0.064 0.000 1.754 130 A CA -0.309 51.679 52.037 -0.081 0.000 1.318 130 A CB -0.038 18.906 19.000 -0.093 0.000 1.228 130 A HN 0.130 nan 8.150 nan 0.000 0.426 131 R N -0.181 120.277 120.500 -0.069 0.000 2.056 131 R HA 0.331 4.673 4.340 0.004 0.000 0.227 131 R C 0.923 177.202 176.300 -0.036 0.000 1.149 131 R CA 1.498 57.567 56.100 -0.052 0.000 0.937 131 R CB -0.020 30.245 30.300 -0.058 0.000 0.835 131 R HN 0.912 nan 8.270 nan 0.000 0.430 132 G N -2.288 106.492 108.800 -0.033 0.000 2.353 132 G HA2 0.031 3.993 3.960 0.004 0.000 0.308 132 G HA3 0.031 3.993 3.960 0.004 0.000 0.308 132 G C -0.374 174.520 174.900 -0.010 0.000 1.418 132 G CA -0.555 44.533 45.100 -0.020 0.000 0.966 132 G HN 0.112 nan 8.290 nan 0.000 0.638 133 M N -0.394 119.204 119.600 -0.003 0.000 2.514 133 M HA 0.235 4.717 4.480 0.004 0.000 0.258 133 M C 2.037 178.343 176.300 0.011 0.000 1.159 133 M CA 0.674 55.979 55.300 0.009 0.000 1.116 133 M CB 0.261 32.868 32.600 0.012 0.000 1.333 133 M HN 0.446 nan 8.290 nan 0.000 0.487 134 K N 0.258 120.661 120.400 0.006 0.000 2.367 134 K HA 0.290 4.612 4.320 0.004 0.000 0.194 134 K C 0.359 176.962 176.600 0.005 0.000 1.027 134 K CA 0.123 56.414 56.287 0.006 0.000 1.075 134 K CB 0.573 33.075 32.500 0.003 0.000 0.845 134 K HN 0.108 nan 8.250 nan 0.000 0.529 135 A N 1.927 124.749 122.820 0.004 0.000 3.150 135 A HA 0.415 4.737 4.320 0.004 0.000 0.328 135 A C -0.473 177.116 177.584 0.009 0.000 1.104 135 A CA -0.529 51.510 52.037 0.004 0.000 0.937 135 A CB -0.162 18.837 19.000 -0.002 0.000 1.073 135 A HN 0.019 nan 8.150 nan 0.000 0.497 136 V N -2.848 117.076 119.914 0.016 0.000 3.167 136 V HA 0.637 4.759 4.120 0.004 0.000 0.293 136 V C -0.049 176.059 176.094 0.024 0.000 1.379 136 V CA -0.721 61.595 62.300 0.027 0.000 1.019 136 V CB 1.015 32.859 31.823 0.035 0.000 1.115 136 V HN 0.367 nan 8.190 nan 0.000 0.442 137 S N 2.279 117.995 115.700 0.028 0.000 2.537 137 S HA 0.358 4.830 4.470 0.004 0.000 0.286 137 S C -1.203 173.398 174.600 0.002 0.000 1.299 137 S CA -0.239 57.970 58.200 0.014 0.000 1.067 137 S CB 1.054 64.263 63.200 0.015 0.000 0.864 137 S HN 0.801 nan 8.310 nan 0.000 0.494 138 P HA -0.086 nan 4.420 nan 0.000 0.216 138 P C 0.787 178.071 177.300 -0.026 0.000 1.150 138 P CA 0.965 64.059 63.100 -0.010 0.000 0.837 138 P CB -0.002 31.693 31.700 -0.008 0.000 0.786 139 L N -2.387 118.814 121.223 -0.037 0.000 2.728 139 L HA 0.283 4.625 4.340 0.004 0.000 0.235 139 L C 0.991 177.805 176.870 -0.094 0.000 1.197 139 L CA 0.764 55.569 54.840 -0.059 0.000 0.992 139 L CB -2.007 40.024 42.059 -0.047 0.000 1.263 139 L HN 0.009 nan 8.230 nan 0.000 0.484 140 T N -3.315 111.180 114.554 -0.099 0.000 3.072 140 T HA -0.034 4.318 4.350 0.004 0.000 0.266 140 T C 1.823 176.311 174.700 -0.353 0.000 1.127 140 T CA 0.835 62.847 62.100 -0.147 0.000 1.107 140 T CB -0.454 68.376 68.868 -0.064 0.000 0.910 140 T HN 0.169 nan 8.240 nan 0.000 0.513 141 V N 1.718 121.420 119.914 -0.352 0.000 2.261 141 V HA -0.203 3.919 4.120 0.004 0.000 0.246 141 V C 2.898 178.649 176.094 -0.572 0.000 1.047 141 V CA 2.001 63.952 62.300 -0.582 0.000 1.015 141 V CB -1.115 30.594 31.823 -0.191 0.000 0.642 141 V HN 0.427 nan 8.190 nan 0.000 0.446 142 Q N 0.693 120.337 119.800 -0.260 0.000 2.217 142 Q HA -0.258 4.084 4.340 0.004 0.000 0.209 142 Q C 2.009 177.917 176.000 -0.154 0.000 0.988 142 Q CA 1.962 57.675 55.803 -0.150 0.000 0.878 142 Q CB -0.417 28.263 28.738 -0.096 0.000 0.909 142 Q HN 0.650 nan 8.270 nan 0.000 0.424 143 K N -0.772 119.495 120.400 -0.222 0.000 2.002 143 K HA -0.181 4.141 4.320 0.004 0.000 0.209 143 K C 2.056 178.632 176.600 -0.040 0.000 1.048 143 K CA 1.842 58.046 56.287 -0.139 0.000 0.930 143 K CB -0.506 31.911 32.500 -0.138 0.000 0.714 143 K HN 0.611 nan 8.250 nan 0.000 0.438 144 Y N -0.366 119.945 120.300 0.017 0.000 2.578 144 Y HA 0.188 4.740 4.550 0.003 0.000 0.297 144 Y C 0.389 176.297 175.900 0.014 0.000 1.176 144 Y CA -0.901 57.212 58.100 0.022 0.000 1.315 144 Y CB -0.083 38.400 38.460 0.038 0.000 1.031 144 Y HN -0.167 nan 8.280 nan 0.000 0.524 145 M N 3.651 123.478 119.600 0.379 0.000 2.248 145 M HA 0.037 4.520 4.480 0.004 0.000 0.345 145 M C -1.481 174.895 176.300 0.126 0.000 1.243 145 M CA -1.751 53.700 55.300 0.251 0.000 1.090 145 M CB 0.227 32.908 32.600 0.135 0.000 1.683 145 M HN 0.069 nan 8.290 nan 0.000 0.450 146 P HA -0.070 nan 4.420 nan 0.000 0.239 146 P C 0.187 177.505 177.300 0.030 0.000 1.184 146 P CA 1.052 64.182 63.100 0.050 0.000 0.760 146 P CB -0.129 31.592 31.700 0.035 0.000 0.884 147 N N -1.085 117.632 118.700 0.030 0.000 2.235 147 N HA 0.050 4.792 4.740 0.004 0.000 0.231 147 N C 1.491 176.999 175.510 -0.002 0.000 1.177 147 N CA -0.047 53.009 53.050 0.010 0.000 0.874 147 N CB -0.542 37.951 38.487 0.010 0.000 1.097 147 N HN -0.044 nan 8.380 nan 0.000 0.518 148 G N 1.197 109.997 108.800 -0.001 0.000 2.402 148 G HA2 -0.122 3.840 3.960 0.004 0.000 0.216 148 G HA3 -0.122 3.840 3.960 0.004 0.000 0.216 148 G C 1.565 176.438 174.900 -0.045 0.000 1.162 148 G CA 1.023 46.109 45.100 -0.023 0.000 0.777 148 G HN 0.448 nan 8.290 nan 0.000 0.539 149 A N 1.022 123.812 122.820 -0.050 0.000 1.933 149 A HA 0.277 4.599 4.320 0.004 0.000 0.218 149 A C 2.746 180.291 177.584 -0.066 0.000 1.175 149 A CA 2.271 54.262 52.037 -0.077 0.000 0.628 149 A CB -0.613 18.336 19.000 -0.085 0.000 0.814 149 A HN 0.707 nan 8.150 nan 0.000 0.444 150 A N -0.328 122.466 122.820 -0.045 0.000 1.874 150 A HA 0.308 4.630 4.320 0.004 0.000 0.214 150 A C 2.505 180.068 177.584 -0.036 0.000 1.189 150 A CA 1.678 53.693 52.037 -0.036 0.000 0.615 150 A CB -1.032 17.954 19.000 -0.024 0.000 0.830 150 A HN 1.006 nan 8.150 nan 0.000 0.443 151 A N 0.075 122.875 122.820 -0.032 0.000 1.940 151 A HA 0.132 4.455 4.320 0.004 0.000 0.219 151 A C 2.480 180.040 177.584 -0.040 0.000 1.176 151 A CA 2.158 54.177 52.037 -0.030 0.000 0.631 151 A CB -1.004 17.981 19.000 -0.025 0.000 0.814 151 A HN 1.009 nan 8.150 nan 0.000 0.446 152 A N -0.502 122.286 122.820 -0.053 0.000 1.858 152 A HA -0.049 4.274 4.320 0.004 0.000 0.216 152 A C 2.215 179.755 177.584 -0.073 0.000 1.190 152 A CA 1.951 53.949 52.037 -0.066 0.000 0.617 152 A CB -1.061 17.889 19.000 -0.084 0.000 0.827 152 A HN 0.465 nan 8.150 nan 0.000 0.443 153 V N -0.001 119.867 119.914 -0.076 0.000 2.515 153 V HA -0.144 3.978 4.120 0.004 0.000 0.250 153 V C 2.700 178.749 176.094 -0.075 0.000 1.058 153 V CA 1.751 64.002 62.300 -0.081 0.000 1.064 153 V CB -1.388 30.395 31.823 -0.067 0.000 0.675 153 V HN 0.633 nan 8.190 nan 0.000 0.461 154 G N -0.638 108.131 108.800 -0.052 0.000 2.509 154 G HA2 -0.115 3.848 3.960 0.004 0.000 0.218 154 G HA3 -0.115 3.848 3.960 0.004 0.000 0.218 154 G C 1.486 176.368 174.900 -0.030 0.000 1.124 154 G CA 0.530 45.607 45.100 -0.037 0.000 0.776 154 G HN 0.491 nan 8.290 nan 0.000 0.547 155 L N -0.697 120.505 121.223 -0.035 0.000 2.253 155 L HA 0.190 4.532 4.340 0.004 0.000 0.205 155 L C 2.549 179.397 176.870 -0.036 0.000 1.078 155 L CA 0.653 55.492 54.840 -0.001 0.000 0.805 155 L CB -0.189 41.865 42.059 -0.008 0.000 0.963 155 L HN 0.248 nan 8.230 nan 0.000 0.459 156 E N 0.886 121.014 120.200 -0.121 0.000 2.097 156 E HA -0.156 4.196 4.350 0.004 0.000 0.196 156 E C 0.489 176.849 176.600 -0.400 0.000 1.000 156 E CA 0.968 57.241 56.400 -0.213 0.000 0.804 156 E CB 0.342 29.925 29.700 -0.196 0.000 0.740 156 E HN 0.276 nan 8.360 nan 0.000 0.454 157 R N -0.037 120.225 120.500 -0.395 0.000 2.393 157 R HA 0.224 4.566 4.340 0.004 0.000 0.310 157 R C -0.676 175.419 176.300 -0.343 0.000 0.968 157 R CA -0.454 55.335 56.100 -0.519 0.000 0.867 157 R CB 0.831 30.820 30.300 -0.518 0.000 1.124 157 R HN 0.293 nan 8.270 nan 0.000 0.450 158 H N 1.079 120.066 119.070 -0.138 0.000 4.154 158 H HA 0.058 4.616 4.556 0.003 0.000 0.224 158 H C 0.462 175.758 175.328 -0.053 0.000 1.227 158 H CA -0.261 55.739 56.048 -0.080 0.000 1.274 158 H CB -0.121 29.604 29.762 -0.062 0.000 1.426 158 H HN 0.569 nan 8.280 nan 0.000 0.788 159 A N 1.666 124.503 122.820 0.029 0.000 2.513 159 A HA -0.025 4.297 4.320 0.004 0.000 0.274 159 A C 0.678 178.278 177.584 0.028 0.000 1.115 159 A CA 0.116 52.165 52.037 0.020 0.000 0.792 159 A CB -0.095 18.903 19.000 -0.002 0.000 1.053 159 A HN 0.615 nan 8.150 nan 0.000 0.515 160 K N 2.152 122.570 120.400 0.029 0.000 2.758 160 K HA 0.385 4.707 4.320 0.004 0.000 0.208 160 K C 0.653 177.259 176.600 0.011 0.000 1.091 160 K CA 0.599 56.897 56.287 0.018 0.000 1.059 160 K CB 1.044 33.556 32.500 0.020 0.000 0.801 160 K HN 0.651 nan 8.250 nan 0.000 0.470 161 A N 0.795 123.620 122.820 0.008 0.000 2.538 161 A HA 0.574 4.896 4.320 0.004 0.000 0.269 161 A C 0.454 178.033 177.584 -0.008 0.000 1.231 161 A CA 0.080 52.117 52.037 0.000 0.000 0.948 161 A CB 0.456 19.456 19.000 0.001 0.000 1.110 161 A HN 0.296 nan 8.150 nan 0.000 0.529 162 G N -1.248 107.549 108.800 -0.006 0.000 2.697 162 G HA2 0.284 4.246 3.960 0.004 0.000 0.684 162 G HA3 0.284 4.246 3.960 0.004 0.000 0.684 162 G C -1.137 173.757 174.900 -0.009 0.000 1.274 162 G CA -0.321 44.773 45.100 -0.010 0.000 0.806 162 G HN 0.939 nan 8.290 nan 0.000 0.644 163 V N 4.088 123.997 119.914 -0.009 0.000 2.488 163 V HA 0.751 4.873 4.120 0.004 0.000 0.293 163 V C 0.546 176.634 176.094 -0.010 0.000 1.027 163 V CA -0.387 61.907 62.300 -0.010 0.000 0.862 163 V CB 1.369 33.186 31.823 -0.011 0.000 1.008 163 V HN 1.080 nan 8.190 nan 0.000 0.428 164 M N 2.497 122.090 119.600 -0.010 0.000 2.662 164 M HA 0.824 5.306 4.480 0.004 0.000 0.310 164 M C -0.733 175.561 176.300 -0.009 0.000 1.204 164 M CA -0.419 54.876 55.300 -0.009 0.000 0.891 164 M CB 2.524 35.119 32.600 -0.009 0.000 1.732 164 M HN 0.343 nan 8.290 nan 0.000 0.467 165 T N 1.385 115.934 114.554 -0.008 0.000 3.298 165 T HA 0.386 4.738 4.350 0.004 0.000 0.318 165 T C -2.567 172.126 174.700 -0.012 0.000 1.165 165 T CA -0.711 61.383 62.100 -0.009 0.000 1.557 165 T CB 0.172 69.036 68.868 -0.007 0.000 0.898 165 T HN 0.580 nan 8.240 nan 0.000 0.585 166 P HA 0.550 nan 4.420 nan 0.000 0.274 166 P C -0.764 176.514 177.300 -0.036 0.000 1.237 166 P CA -0.382 62.703 63.100 -0.024 0.000 0.793 166 P CB 1.141 32.827 31.700 -0.023 0.000 0.977 167 V N 0.639 120.520 119.914 -0.054 0.000 2.735 167 V HA 0.481 4.603 4.120 0.004 0.000 0.310 167 V C 0.446 176.446 176.094 -0.158 0.000 1.061 167 V CA -0.251 62.007 62.300 -0.069 0.000 0.913 167 V CB 1.747 33.547 31.823 -0.038 0.000 1.005 167 V HN 0.732 nan 8.190 nan 0.000 0.428 168 S N 1.499 117.086 115.700 -0.187 0.000 2.565 168 S HA 0.534 5.006 4.470 0.004 0.000 0.207 168 S C 0.385 174.886 174.600 -0.166 0.000 0.769 168 S CA 0.829 58.792 58.200 -0.394 0.000 0.945 168 S CB 0.085 63.033 63.200 -0.421 0.000 1.653 168 S HN 1.836 nan 8.310 nan 0.000 0.509 169 A N 0.394 123.201 122.820 -0.021 0.000 5.251 169 A HA -0.373 3.949 4.320 0.004 0.000 0.334 169 A C 1.721 179.347 177.584 0.071 0.000 1.764 169 A CA 2.000 54.103 52.037 0.110 0.000 0.708 169 A CB -2.107 17.042 19.000 0.249 0.000 1.420 169 A HN 1.176 nan 8.150 nan 0.000 0.394 170 C N 0.073 119.404 119.300 0.051 0.000 2.539 170 C HA 0.516 4.979 4.460 0.004 0.000 0.268 170 C C 2.574 177.496 174.990 -0.114 0.000 1.395 170 C CA 0.873 59.885 59.018 -0.011 0.000 1.757 170 C CB -1.387 26.335 27.740 -0.029 0.000 1.851 170 C HN 1.348 nan 8.230 nan 0.000 0.545 171 A N 0.421 123.186 122.820 -0.093 0.000 2.390 171 A HA 0.228 4.551 4.320 0.004 0.000 0.232 171 A C 1.935 179.464 177.584 -0.092 0.000 1.233 171 A CA 0.396 52.358 52.037 -0.124 0.000 0.907 171 A CB -0.297 18.666 19.000 -0.063 0.000 0.967 171 A HN 0.405 nan 8.150 nan 0.000 0.512 172 S N 0.393 116.048 115.700 -0.076 0.000 2.365 172 S HA -0.153 4.319 4.470 0.004 0.000 0.225 172 S C 2.080 176.652 174.600 -0.047 0.000 1.039 172 S CA 1.649 59.813 58.200 -0.060 0.000 1.033 172 S CB -0.523 62.654 63.200 -0.039 0.000 0.887 172 S HN 0.749 nan 8.310 nan 0.000 0.447 173 G N 1.058 109.828 108.800 -0.049 0.000 2.422 173 G HA2 -0.005 3.957 3.960 0.004 0.000 0.218 173 G HA3 -0.005 3.957 3.960 0.004 0.000 0.218 173 G C 1.502 176.379 174.900 -0.038 0.000 1.146 173 G CA 0.893 45.969 45.100 -0.041 0.000 0.769 173 G HN 0.595 nan 8.290 nan 0.000 0.547 174 A N 0.491 123.275 122.820 -0.060 0.000 1.898 174 A HA 0.106 4.428 4.320 0.004 0.000 0.214 174 A C 2.103 179.674 177.584 -0.022 0.000 1.183 174 A CA 1.769 53.779 52.037 -0.045 0.000 0.622 174 A CB -0.376 18.568 19.000 -0.094 0.000 0.824 174 A HN 0.425 nan 8.150 nan 0.000 0.444 175 E N -0.002 120.180 120.200 -0.029 0.000 2.153 175 E HA -0.129 4.224 4.350 0.004 0.000 0.194 175 E C 2.077 178.677 176.600 0.000 0.000 0.988 175 E CA 0.908 57.301 56.400 -0.011 0.000 0.811 175 E CB -0.215 29.472 29.700 -0.022 0.000 0.746 175 E HN 0.552 nan 8.360 nan 0.000 0.466 176 A N 0.920 123.737 122.820 -0.006 0.000 1.908 176 A HA -0.179 4.143 4.320 0.004 0.000 0.218 176 A C 2.104 179.699 177.584 0.019 0.000 1.181 176 A CA 1.355 53.393 52.037 0.002 0.000 0.627 176 A CB -0.546 18.451 19.000 -0.005 0.000 0.818 176 A HN 0.323 nan 8.150 nan 0.000 0.445 177 I N -0.506 120.081 120.570 0.027 0.000 2.439 177 I HA -0.190 3.983 4.170 0.004 0.000 0.251 177 I C 2.887 179.044 176.117 0.067 0.000 1.139 177 I CA 0.812 62.143 61.300 0.052 0.000 1.438 177 I CB -0.322 37.722 38.000 0.074 0.000 1.085 177 I HN 0.347 nan 8.210 nan 0.000 0.427 178 A N 0.991 123.840 122.820 0.048 0.000 1.898 178 A HA -0.154 4.168 4.320 0.004 0.000 0.216 178 A C 2.377 180.037 177.584 0.126 0.000 1.181 178 A CA 1.216 53.298 52.037 0.076 0.000 0.620 178 A CB -0.358 18.665 19.000 0.038 0.000 0.819 178 A HN 0.215 nan 8.150 nan 0.000 0.442 179 R N -0.240 120.299 120.500 0.065 0.000 2.096 179 R HA -0.048 4.294 4.340 0.004 0.000 0.235 179 R C 2.428 178.741 176.300 0.021 0.000 1.127 179 R CA 1.373 57.494 56.100 0.036 0.000 0.968 179 R CB -1.213 29.094 30.300 0.013 0.000 0.861 179 R HN 0.530 nan 8.270 nan 0.000 0.440 180 A N 0.216 123.059 122.820 0.038 0.000 1.865 180 A HA -0.207 4.116 4.320 0.004 0.000 0.217 180 A C 2.081 179.674 177.584 0.016 0.000 1.191 180 A CA 1.407 53.456 52.037 0.020 0.000 0.623 180 A CB -1.015 18.008 19.000 0.037 0.000 0.826 180 A HN 0.557 nan 8.150 nan 0.000 0.444 181 W N 0.678 121.914 121.300 -0.107 0.000 2.363 181 W HA -0.186 4.474 4.660 0.000 0.000 0.296 181 W C 2.303 178.710 176.519 -0.187 0.000 1.212 181 W CA 1.985 59.243 57.345 -0.144 0.000 1.260 181 W CB -0.169 29.194 29.460 -0.163 0.000 1.131 181 W HN 0.466 nan 8.180 nan 0.000 0.530 182 Q N -0.398 119.322 119.800 -0.133 0.000 2.016 182 Q HA -0.260 4.082 4.340 0.004 0.000 0.200 182 Q C 2.368 178.117 176.000 -0.419 0.000 0.978 182 Q CA 1.529 57.109 55.803 -0.372 0.000 0.833 182 Q CB -0.533 28.152 28.738 -0.088 0.000 0.895 182 Q HN 0.288 nan 8.270 nan 0.000 0.427 183 Q N 0.596 120.249 119.800 -0.244 0.000 2.002 183 Q HA -0.176 4.166 4.340 0.004 0.000 0.204 183 Q C 2.225 178.069 176.000 -0.260 0.000 0.988 183 Q CA 1.365 57.046 55.803 -0.204 0.000 0.843 183 Q CB -0.487 28.179 28.738 -0.121 0.000 0.908 183 Q HN 0.452 nan 8.270 nan 0.000 0.420 184 I N -0.091 120.311 120.570 -0.279 0.000 2.087 184 I HA -0.314 3.858 4.170 0.004 0.000 0.240 184 I C 2.474 178.361 176.117 -0.383 0.000 1.054 184 I CA 1.221 62.354 61.300 -0.277 0.000 1.311 184 I CB -0.597 37.250 38.000 -0.255 0.000 1.024 184 I HN 0.030 nan 8.210 nan 0.000 0.402 185 V N 0.768 120.274 119.914 -0.681 0.000 2.392 185 V HA -0.266 3.857 4.120 0.004 0.000 0.249 185 V C 2.216 177.975 176.094 -0.558 0.000 1.059 185 V CA 1.805 63.603 62.300 -0.836 0.000 1.051 185 V CB -0.224 30.589 31.823 -1.684 0.000 0.658 185 V HN 0.382 nan 8.190 nan 0.000 0.455 186 L N 0.052 120.987 121.223 -0.480 0.000 2.610 186 L HA 0.218 4.560 4.340 0.004 0.000 0.232 186 L C 1.478 178.257 176.870 -0.150 0.000 1.149 186 L CA 1.049 55.727 54.840 -0.270 0.000 0.872 186 L CB -0.241 41.674 42.059 -0.240 0.000 0.992 186 L HN 0.504 nan 8.230 nan 0.000 0.447 187 G N -0.907 107.803 108.800 -0.150 0.000 2.141 187 G HA2 -0.248 3.714 3.960 0.004 0.000 0.242 187 G HA3 -0.248 3.714 3.960 0.004 0.000 0.242 187 G C 0.743 175.599 174.900 -0.073 0.000 0.982 187 G CA 0.428 45.477 45.100 -0.086 0.000 0.662 187 G HN 0.422 nan 8.290 nan 0.000 0.527 188 E N -0.279 119.863 120.200 -0.096 0.000 2.442 188 E HA 0.471 4.824 4.350 0.004 0.000 0.195 188 E C 1.206 177.771 176.600 -0.059 0.000 1.030 188 E CA 1.160 57.517 56.400 -0.072 0.000 0.869 188 E CB 0.547 30.199 29.700 -0.081 0.000 0.857 188 E HN 1.361 nan 8.360 nan 0.000 0.505 189 A N 0.149 122.926 122.820 -0.071 0.000 2.540 189 A HA 0.434 4.756 4.320 0.004 0.000 0.291 189 A C -1.011 176.538 177.584 -0.059 0.000 1.083 189 A CA -0.583 51.422 52.037 -0.053 0.000 0.650 189 A CB 0.717 19.681 19.000 -0.059 0.000 1.292 189 A HN -0.123 nan 8.150 nan 0.000 0.435 190 D N -0.537 119.834 120.400 -0.048 0.000 2.500 190 D HA 0.503 5.145 4.640 0.004 0.000 0.218 190 D C 0.137 176.302 176.300 -0.226 0.000 1.140 190 D CA 1.308 55.274 54.000 -0.057 0.000 0.830 190 D CB 1.370 42.246 40.800 0.126 0.000 1.055 190 D HN 1.040 nan 8.370 nan 0.000 0.512 191 A N 0.235 122.937 122.820 -0.196 0.000 2.589 191 A HA 0.804 5.126 4.320 0.004 0.000 0.296 191 A C -1.608 175.921 177.584 -0.092 0.000 1.062 191 A CA -0.299 51.607 52.037 -0.218 0.000 0.686 191 A CB 1.703 20.493 19.000 -0.350 0.000 1.282 191 A HN 0.059 nan 8.150 nan 0.000 0.404 192 A N 1.066 123.849 122.820 -0.062 0.000 2.574 192 A HA 0.741 5.063 4.320 0.004 0.000 0.297 192 A C -1.313 176.276 177.584 0.008 0.000 1.062 192 A CA -0.357 51.671 52.037 -0.015 0.000 0.686 192 A CB 0.846 19.834 19.000 -0.020 0.000 1.285 192 A HN 0.916 nan 8.150 nan 0.000 0.403 193 I N 1.808 122.399 120.570 0.034 0.000 2.321 193 I HA 0.481 4.653 4.170 0.004 0.000 0.291 193 I C -0.045 176.086 176.117 0.023 0.000 0.998 193 I CA -0.330 60.996 61.300 0.043 0.000 1.227 193 I CB 1.042 39.086 38.000 0.072 0.000 1.368 193 I HN 0.830 nan 8.210 nan 0.000 0.466 194 C N 3.253 122.565 119.300 0.021 0.000 3.171 194 C HA 1.069 5.531 4.460 0.004 0.000 0.308 194 C C 0.192 175.190 174.990 0.013 0.000 1.334 194 C CA -0.376 58.652 59.018 0.016 0.000 1.473 194 C CB 0.947 28.703 27.740 0.026 0.000 1.866 194 C HN 1.080 nan 8.230 nan 0.000 0.465 195 G N -0.250 108.553 108.800 0.005 0.000 2.356 195 G HA2 0.618 4.581 3.960 0.004 0.000 0.266 195 G HA3 0.618 4.581 3.960 0.004 0.000 0.266 195 G C -0.724 174.169 174.900 -0.013 0.000 1.312 195 G CA 0.278 45.377 45.100 -0.002 0.000 0.922 195 G HN 2.052 nan 8.290 nan 0.000 0.480 196 G N -1.855 106.935 108.800 -0.018 0.000 2.642 196 G HA2 0.776 4.738 3.960 0.004 0.000 0.293 196 G HA3 0.776 4.738 3.960 0.004 0.000 0.293 196 G C -1.749 173.138 174.900 -0.021 0.000 1.341 196 G CA -0.336 44.753 45.100 -0.020 0.000 0.916 196 G HN 1.452 nan 8.290 nan 0.000 0.474 197 V N 0.345 120.248 119.914 -0.018 0.000 2.711 197 V HA 0.575 4.697 4.120 0.004 0.000 0.304 197 V C -1.086 175.016 176.094 0.013 0.000 1.097 197 V CA -0.644 61.642 62.300 -0.023 0.000 0.906 197 V CB 1.881 33.660 31.823 -0.074 0.000 1.015 197 V HN 0.853 nan 8.190 nan 0.000 0.427 198 E N 2.237 122.470 120.200 0.054 0.000 2.288 198 E HA 0.676 5.029 4.350 0.004 0.000 0.268 198 E C 0.154 176.866 176.600 0.186 0.000 0.885 198 E CA -0.301 56.157 56.400 0.098 0.000 0.767 198 E CB 2.027 31.786 29.700 0.099 0.000 1.220 198 E HN 0.881 nan 8.360 nan 0.000 0.427 199 T N 0.539 115.206 114.554 0.188 0.000 2.616 199 T HA 0.167 4.519 4.350 0.004 0.000 0.327 199 T C 0.797 175.607 174.700 0.184 0.000 1.049 199 T CA -0.299 61.955 62.100 0.257 0.000 1.022 199 T CB 0.461 69.399 68.868 0.117 0.000 1.009 199 T HN 0.503 nan 8.240 nan 0.000 0.535 200 R N -0.680 119.812 120.500 -0.014 0.000 2.783 200 R HA 0.441 4.783 4.340 0.004 0.000 0.276 200 R C 0.069 176.329 176.300 -0.066 0.000 1.223 200 R CA -0.551 55.499 56.100 -0.082 0.000 1.173 200 R CB 0.030 30.154 30.300 -0.294 0.000 1.157 200 R HN 0.688 nan 8.270 nan 0.000 0.600 201 I N 2.111 122.664 120.570 -0.028 0.000 2.308 201 I HA 0.086 4.258 4.170 0.004 0.000 0.293 201 I C 0.312 176.373 176.117 -0.094 0.000 1.078 201 I CA 0.314 61.585 61.300 -0.048 0.000 1.292 201 I CB 0.718 38.769 38.000 0.085 0.000 1.423 201 I HN 0.516 nan 8.210 nan 0.000 0.493 202 E N 3.640 123.688 120.200 -0.254 0.000 2.302 202 E HA 0.490 4.843 4.350 0.004 0.000 0.255 202 E C 0.632 176.858 176.600 -0.624 0.000 1.099 202 E CA -0.506 55.642 56.400 -0.421 0.000 0.929 202 E CB 1.477 31.023 29.700 -0.258 0.000 1.203 202 E HN 0.666 nan 8.360 nan 0.000 0.459 203 A N 0.479 122.854 122.820 -0.743 0.000 1.943 203 A HA -0.030 4.292 4.320 0.004 0.000 0.213 203 A C 2.092 179.552 177.584 -0.206 0.000 1.181 203 A CA 0.415 52.106 52.037 -0.576 0.000 0.653 203 A CB -0.479 18.176 19.000 -0.575 0.000 0.833 203 A HN 0.370 nan 8.150 nan 0.000 0.451 204 V N 1.626 121.443 119.914 -0.162 0.000 2.277 204 V HA -0.235 3.887 4.120 0.004 0.000 0.253 204 V C 0.358 176.464 176.094 0.021 0.000 1.067 204 V CA 2.687 64.954 62.300 -0.056 0.000 1.047 204 V CB -1.807 29.988 31.823 -0.047 0.000 0.649 204 V HN 0.546 nan 8.190 nan 0.000 0.447 205 P HA -0.083 nan 4.420 nan 0.000 0.214 205 P C 1.902 179.397 177.300 0.325 0.000 1.162 205 P CA 1.469 64.682 63.100 0.187 0.000 0.871 205 P CB -0.038 31.725 31.700 0.104 0.000 0.783 206 I N 0.422 121.123 120.570 0.217 0.000 2.194 206 I HA -0.299 3.874 4.170 0.004 0.000 0.246 206 I C 2.675 178.925 176.117 0.222 0.000 1.093 206 I CA 1.570 63.048 61.300 0.296 0.000 1.355 206 I CB -0.976 37.151 38.000 0.212 0.000 1.046 206 I HN -0.057 nan 8.210 nan 0.000 0.413 207 A N 1.076 123.975 122.820 0.131 0.000 1.849 207 A HA -0.185 4.137 4.320 0.004 0.000 0.217 207 A C 2.241 179.880 177.584 0.093 0.000 1.202 207 A CA 2.043 54.136 52.037 0.093 0.000 0.629 207 A CB -1.544 17.487 19.000 0.051 0.000 0.834 207 A HN 0.470 nan 8.150 nan 0.000 0.447 208 G N -3.412 105.438 108.800 0.083 0.000 3.186 208 G HA2 0.268 4.230 3.960 0.004 0.000 0.214 208 G HA3 0.268 4.230 3.960 0.004 0.000 0.214 208 G C 0.556 175.396 174.900 -0.101 0.000 1.222 208 G CA 0.413 45.502 45.100 -0.019 0.000 0.921 208 G HN 0.431 nan 8.290 nan 0.000 0.504 209 F N -1.541 118.437 119.950 0.047 0.000 2.835 209 F HA 0.280 4.809 4.527 0.003 0.000 0.341 209 F C 2.335 178.144 175.800 0.015 0.000 0.940 209 F CA 0.361 58.389 58.000 0.046 0.000 1.125 209 F CB 0.379 39.472 39.000 0.155 0.000 0.974 209 F HN 0.151 nan 8.300 nan 0.000 0.601 210 A N 0.127 123.068 122.820 0.201 0.000 1.929 210 A HA -0.168 4.154 4.320 0.004 0.000 0.216 210 A C 1.904 179.521 177.584 0.055 0.000 1.176 210 A CA 1.538 53.629 52.037 0.090 0.000 0.628 210 A CB -0.596 18.447 19.000 0.071 0.000 0.816 210 A HN 0.448 nan 8.150 nan 0.000 0.444 211 Q N -1.012 118.815 119.800 0.046 0.000 2.112 211 Q HA -0.229 4.113 4.340 0.004 0.000 0.206 211 Q C 2.087 178.088 176.000 0.002 0.000 0.987 211 Q CA 1.753 57.565 55.803 0.015 0.000 0.858 211 Q CB -0.369 28.367 28.738 -0.004 0.000 0.905 211 Q HN 0.827 nan 8.270 nan 0.000 0.420 212 M N -0.297 119.301 119.600 -0.004 0.000 2.938 212 M HA -0.182 4.300 4.480 0.004 0.000 0.282 212 M C 1.243 177.556 176.300 0.022 0.000 1.122 212 M CA 1.857 57.149 55.300 -0.014 0.000 1.069 212 M CB 0.312 32.867 32.600 -0.076 0.000 1.140 212 M HN -0.033 nan 8.290 nan 0.000 0.549 213 R N -2.136 118.397 120.500 0.055 0.000 2.243 213 R HA 0.111 4.453 4.340 0.004 0.000 0.144 213 R C 1.573 177.931 176.300 0.097 0.000 0.877 213 R CA -0.019 56.118 56.100 0.061 0.000 2.070 213 R CB 0.302 30.634 30.300 0.054 0.000 1.527 213 R HN 0.361 nan 8.270 nan 0.000 0.483 214 I N 1.301 121.974 120.570 0.173 0.000 2.162 214 I HA -0.096 4.076 4.170 0.004 0.000 0.238 214 I C 1.897 178.159 176.117 0.241 0.000 1.076 214 I CA 1.610 63.095 61.300 0.307 0.000 1.353 214 I CB -0.649 37.630 38.000 0.465 0.000 1.063 214 I HN -0.151 nan 8.210 nan 0.000 0.408 215 V N 1.041 120.955 119.914 0.000 0.000 3.570 215 V HA -0.064 4.058 4.120 0.004 0.000 0.293 215 V C 1.738 177.673 176.094 -0.265 0.000 1.237 215 V CA 0.247 62.227 62.300 -0.534 0.000 1.226 215 V CB -1.252 30.222 31.823 -0.583 0.000 1.028 215 V HN 0.290 nan 8.190 nan 0.000 0.430 216 M N 0.618 120.154 119.600 -0.106 0.000 2.800 216 M HA 0.035 4.517 4.480 0.004 0.000 0.235 216 M C 1.579 177.835 176.300 -0.073 0.000 1.057 216 M CA 0.548 55.815 55.300 -0.056 0.000 1.066 216 M CB -0.575 32.024 32.600 -0.002 0.000 1.558 216 M HN 0.269 nan 8.290 nan 0.000 0.551 217 S N -0.353 115.266 115.700 -0.136 0.000 3.544 217 S HA 0.034 4.506 4.470 0.004 0.000 0.227 217 S C 0.785 175.329 174.600 -0.094 0.000 1.387 217 S CA -0.046 58.086 58.200 -0.114 0.000 1.182 217 S CB -0.784 62.329 63.200 -0.145 0.000 1.243 217 S HN 0.486 nan 8.310 nan 0.000 0.467 218 T N 1.951 116.467 114.554 -0.063 0.000 3.427 218 T HA -0.010 4.342 4.350 0.004 0.000 0.256 218 T C 0.799 175.481 174.700 -0.030 0.000 1.172 218 T CA 0.123 62.198 62.100 -0.041 0.000 1.018 218 T CB -0.627 68.227 68.868 -0.024 0.000 0.981 218 T HN 0.430 nan 8.240 nan 0.000 0.555 219 N N 2.729 121.408 118.700 -0.036 0.000 2.895 219 N HA 0.030 4.772 4.740 0.004 0.000 0.277 219 N C 0.310 175.806 175.510 -0.023 0.000 1.185 219 N CA -0.117 52.919 53.050 -0.025 0.000 1.106 219 N CB -0.084 38.389 38.487 -0.025 0.000 1.422 219 N HN 0.240 nan 8.380 nan 0.000 0.521 220 N N 0.884 119.574 118.700 -0.017 0.000 2.398 220 N HA -0.012 4.731 4.740 0.004 0.000 0.188 220 N C 0.319 175.824 175.510 -0.008 0.000 1.122 220 N CA 0.182 53.224 53.050 -0.012 0.000 0.866 220 N CB 0.591 39.074 38.487 -0.008 0.000 0.970 220 N HN 0.532 nan 8.380 nan 0.000 0.462 221 D N 0.195 120.591 120.400 -0.007 0.000 2.301 221 D HA -0.049 4.593 4.640 0.004 0.000 0.206 221 D C -0.269 176.029 176.300 -0.004 0.000 0.979 221 D CA 0.655 54.653 54.000 -0.004 0.000 0.874 221 D CB 0.459 41.257 40.800 -0.003 0.000 0.968 221 D HN 0.059 nan 8.370 nan 0.000 0.510 222 D N 0.140 120.536 120.400 -0.007 0.000 2.683 222 D HA 0.153 4.796 4.640 0.004 0.000 0.309 222 D C -1.859 174.435 176.300 -0.009 0.000 1.238 222 D CA -2.244 51.752 54.000 -0.006 0.000 0.936 222 D CB 1.255 42.053 40.800 -0.004 0.000 1.001 222 D HN -0.129 nan 8.370 nan 0.000 0.505 223 P HA -0.184 nan 4.420 nan 0.000 0.215 223 P C 1.191 178.482 177.300 -0.016 0.000 1.163 223 P CA 1.630 64.721 63.100 -0.015 0.000 0.894 223 P CB 0.279 31.970 31.700 -0.014 0.000 0.791 224 A N -0.710 122.104 122.820 -0.009 0.000 1.972 224 A HA -0.016 4.306 4.320 0.004 0.000 0.219 224 A C 2.304 179.886 177.584 -0.004 0.000 1.169 224 A CA 1.887 53.920 52.037 -0.006 0.000 0.635 224 A CB -1.604 17.395 19.000 -0.001 0.000 0.810 224 A HN 0.333 nan 8.150 nan 0.000 0.446 225 G N -1.642 107.156 108.800 -0.004 0.000 3.088 225 G HA2 0.320 4.282 3.960 0.004 0.000 0.217 225 G HA3 0.320 4.282 3.960 0.004 0.000 0.217 225 G C 1.363 176.259 174.900 -0.007 0.000 1.159 225 G CA 0.906 46.005 45.100 -0.002 0.000 0.760 225 G HN 0.632 nan 8.290 nan 0.000 0.550 226 A N -0.202 122.610 122.820 -0.015 0.000 1.902 226 A HA 0.012 4.334 4.320 0.004 0.000 0.217 226 A C 1.592 179.160 177.584 -0.026 0.000 1.181 226 A CA 0.991 53.014 52.037 -0.024 0.000 0.623 226 A CB -0.739 18.240 19.000 -0.035 0.000 0.818 226 A HN 0.469 nan 8.150 nan 0.000 0.443 227 C N 1.246 120.532 119.300 -0.024 0.000 2.466 227 C HA 0.681 5.143 4.460 0.004 0.000 0.379 227 C C 0.261 175.239 174.990 -0.020 0.000 1.251 227 C CA -0.574 58.430 59.018 -0.024 0.000 2.263 227 C CB 0.175 27.902 27.740 -0.020 0.000 2.511 227 C HN 0.577 nan 8.230 nan 0.000 0.573 228 R N 4.722 125.204 120.500 -0.031 0.000 3.033 228 R HA 0.249 4.591 4.340 0.004 0.000 0.236 228 R C -2.725 173.533 176.300 -0.069 0.000 1.774 228 R CA -0.892 55.193 56.100 -0.025 0.000 1.401 228 R CB -0.347 29.955 30.300 0.004 0.000 1.539 228 R HN 0.433 nan 8.270 nan 0.000 0.618 229 P HA -0.213 nan 4.420 nan 0.000 0.223 229 P C 0.654 177.764 177.300 -0.317 0.000 0.816 229 P CA 1.602 64.473 63.100 -0.381 0.000 1.074 229 P CB -0.041 31.288 31.700 -0.619 0.000 0.700 230 F N -2.270 117.690 119.950 0.017 0.000 2.660 230 F HA 0.193 4.722 4.527 0.003 0.000 0.302 230 F C 1.002 176.815 175.800 0.023 0.000 1.103 230 F CA -0.323 57.690 58.000 0.021 0.000 1.340 230 F CB -0.651 38.364 39.000 0.025 0.000 1.048 230 F HN -0.113 nan 8.300 nan 0.000 0.551 231 D N 1.312 121.791 120.400 0.133 0.000 2.351 231 D HA 0.019 4.661 4.640 0.004 0.000 0.251 231 D C 1.640 177.984 176.300 0.073 0.000 1.137 231 D CA 0.023 54.081 54.000 0.096 0.000 0.879 231 D CB 0.799 41.636 40.800 0.062 0.000 1.181 231 D HN 0.120 nan 8.370 nan 0.000 0.448 232 R N 2.933 123.475 120.500 0.069 0.000 2.185 232 R HA -0.171 4.172 4.340 0.004 0.000 0.247 232 R C 0.310 176.633 176.300 0.039 0.000 1.159 232 R CA 1.528 57.660 56.100 0.054 0.000 0.988 232 R CB 0.137 30.465 30.300 0.045 0.000 0.871 232 R HN 0.483 nan 8.270 nan 0.000 0.458 233 D N 0.913 121.333 120.400 0.033 0.000 2.340 233 D HA -0.056 4.586 4.640 0.004 0.000 0.220 233 D C -0.010 176.301 176.300 0.018 0.000 1.039 233 D CA 0.177 54.191 54.000 0.023 0.000 0.866 233 D CB -0.081 40.731 40.800 0.020 0.000 0.913 233 D HN 0.429 nan 8.370 nan 0.000 0.523 234 R N 1.790 122.302 120.500 0.020 0.000 2.537 234 R HA -0.018 4.324 4.340 0.004 0.000 0.281 234 R C 0.192 176.498 176.300 0.011 0.000 0.988 234 R CA 0.465 56.570 56.100 0.009 0.000 1.077 234 R CB 0.398 30.699 30.300 0.002 0.000 0.932 234 R HN -0.114 nan 8.270 nan 0.000 0.409 235 D N 2.144 122.546 120.400 0.003 0.000 2.725 235 D HA 0.174 4.816 4.640 0.004 0.000 0.269 235 D C 0.769 177.075 176.300 0.010 0.000 1.018 235 D CA 0.770 54.773 54.000 0.005 0.000 0.956 235 D CB -0.006 40.790 40.800 -0.006 0.000 1.141 235 D HN 0.623 nan 8.370 nan 0.000 0.478 236 G N -0.799 107.997 108.800 -0.007 0.000 2.815 236 G HA2 0.513 4.475 3.960 0.004 0.000 0.305 236 G HA3 0.513 4.475 3.960 0.004 0.000 0.305 236 G C -1.641 173.267 174.900 0.013 0.000 1.277 236 G CA -0.666 44.436 45.100 0.004 0.000 0.795 236 G HN 0.228 nan 8.290 nan 0.000 0.528 237 F N -0.607 119.281 119.950 -0.103 0.000 2.575 237 F HA 0.877 5.406 4.527 0.004 0.000 0.330 237 F C -0.736 174.956 175.800 -0.180 0.000 1.056 237 F CA -1.441 56.474 58.000 -0.142 0.000 0.964 237 F CB 1.826 40.721 39.000 -0.175 0.000 1.258 237 F HN 0.368 nan 8.300 nan 0.000 0.484 238 V N 2.352 122.205 119.914 -0.102 0.000 2.581 238 V HA 0.362 4.484 4.120 0.004 0.000 0.303 238 V C -0.564 175.601 176.094 0.117 0.000 1.041 238 V CA -0.869 61.332 62.300 -0.164 0.000 0.907 238 V CB 1.680 33.481 31.823 -0.036 0.000 0.994 238 V HN 0.782 nan 8.190 nan 0.000 0.442 239 F N 1.826 121.822 119.950 0.077 0.000 2.399 239 F HA 0.661 5.190 4.527 0.003 0.000 0.342 239 F C 0.949 176.821 175.800 0.119 0.000 1.106 239 F CA 0.127 58.249 58.000 0.202 0.000 1.196 239 F CB 1.591 40.669 39.000 0.131 0.000 1.163 239 F HN 0.623 nan 8.300 nan 0.000 0.547 240 G N 2.818 111.855 108.800 0.395 0.000 2.659 240 G HA2 0.512 4.474 3.960 0.004 0.000 0.296 240 G HA3 0.512 4.474 3.960 0.004 0.000 0.296 240 G C -1.767 173.246 174.900 0.188 0.000 1.369 240 G CA -0.674 44.549 45.100 0.207 0.000 0.937 240 G HN 0.556 nan 8.290 nan 0.000 0.485 241 E N -0.920 119.371 120.200 0.150 0.000 2.250 241 E HA 0.728 5.080 4.350 0.004 0.000 0.265 241 E C 0.266 176.953 176.600 0.145 0.000 1.033 241 E CA -0.234 56.262 56.400 0.160 0.000 0.888 241 E CB 2.098 31.908 29.700 0.184 0.000 1.151 241 E HN 0.968 nan 8.360 nan 0.000 0.412 242 G N -0.833 108.059 108.800 0.154 0.000 2.339 242 G HA2 0.451 4.413 3.960 0.004 0.000 0.302 242 G HA3 0.451 4.413 3.960 0.004 0.000 0.302 242 G C -1.311 173.649 174.900 0.100 0.000 1.425 242 G CA -0.363 44.812 45.100 0.126 0.000 0.899 242 G HN 0.680 nan 8.290 nan 0.000 0.619 243 G N -1.403 107.442 108.800 0.075 0.000 2.733 243 G HA2 0.997 4.959 3.960 0.004 0.000 0.297 243 G HA3 0.997 4.959 3.960 0.004 0.000 0.297 243 G C -0.792 174.119 174.900 0.019 0.000 1.422 243 G CA 0.427 45.544 45.100 0.030 0.000 0.942 243 G HN 2.068 nan 8.290 nan 0.000 0.510 244 A N 1.214 124.033 122.820 -0.001 0.000 2.459 244 A HA 0.849 5.171 4.320 0.004 0.000 0.296 244 A C -1.200 176.377 177.584 -0.011 0.000 1.039 244 A CA -0.467 51.568 52.037 -0.004 0.000 0.698 244 A CB 1.273 20.268 19.000 -0.009 0.000 1.261 244 A HN 0.800 nan 8.150 nan 0.000 0.405 245 L N 1.888 123.106 121.223 -0.009 0.000 2.388 245 L HA 0.722 5.064 4.340 0.004 0.000 0.264 245 L C -1.220 175.649 176.870 -0.001 0.000 0.998 245 L CA -0.807 54.031 54.840 -0.004 0.000 0.817 245 L CB 2.148 44.205 42.059 -0.003 0.000 1.338 245 L HN 0.657 nan 8.230 nan 0.000 0.414 246 L N 1.935 123.163 121.223 0.007 0.000 2.303 246 L HA 0.606 4.949 4.340 0.004 0.000 0.256 246 L C -1.090 175.782 176.870 0.003 0.000 1.034 246 L CA -0.517 54.325 54.840 0.004 0.000 0.832 246 L CB 1.968 44.041 42.059 0.024 0.000 1.403 246 L HN 0.314 nan 8.230 nan 0.000 0.419 247 L N 2.064 123.276 121.223 -0.019 0.000 2.388 247 L HA 0.582 4.925 4.340 0.004 0.000 0.267 247 L C -1.243 175.595 176.870 -0.053 0.000 0.995 247 L CA -0.040 54.772 54.840 -0.046 0.000 0.864 247 L CB 0.620 42.616 42.059 -0.105 0.000 1.216 247 L HN 0.255 nan 8.230 nan 0.000 0.430 248 I N 4.648 125.198 120.570 -0.032 0.000 2.385 248 I HA 0.503 4.676 4.170 0.004 0.000 0.294 248 I C -0.009 176.066 176.117 -0.070 0.000 0.988 248 I CA -0.112 61.176 61.300 -0.019 0.000 1.265 248 I CB 1.469 39.486 38.000 0.029 0.000 1.388 248 I HN 0.781 nan 8.210 nan 0.000 0.480 249 E N 2.756 122.913 120.200 -0.070 0.000 2.388 249 E HA 0.261 4.613 4.350 0.004 0.000 0.282 249 E C -0.865 175.707 176.600 -0.048 0.000 1.026 249 E CA -0.914 55.409 56.400 -0.128 0.000 0.820 249 E CB 1.094 30.654 29.700 -0.233 0.000 1.226 249 E HN 0.505 nan 8.360 nan 0.000 0.432 250 T N -0.907 113.630 114.554 -0.029 0.000 2.937 250 T HA -0.025 4.328 4.350 0.004 0.000 0.316 250 T C 0.934 175.685 174.700 0.085 0.000 1.079 250 T CA 0.363 62.494 62.100 0.051 0.000 1.131 250 T CB 1.175 70.085 68.868 0.070 0.000 1.000 250 T HN 0.713 nan 8.240 nan 0.000 0.549 251 E N 0.644 120.912 120.200 0.114 0.000 2.110 251 E HA -0.189 4.163 4.350 0.004 0.000 0.193 251 E C 2.044 178.702 176.600 0.096 0.000 0.988 251 E CA 1.283 57.743 56.400 0.100 0.000 0.804 251 E CB -0.006 29.783 29.700 0.149 0.000 0.745 251 E HN 0.919 nan 8.360 nan 0.000 0.458 252 E N -0.377 119.889 120.200 0.110 0.000 2.072 252 E HA -0.243 4.109 4.350 0.004 0.000 0.191 252 E C 2.142 178.792 176.600 0.083 0.000 0.985 252 E CA 0.885 57.336 56.400 0.085 0.000 0.801 252 E CB -0.077 29.672 29.700 0.080 0.000 0.750 252 E HN 0.332 nan 8.360 nan 0.000 0.452 253 H N 0.211 119.287 119.070 0.011 0.000 2.293 253 H HA -0.063 4.495 4.556 0.003 0.000 0.300 253 H C 1.896 177.214 175.328 -0.018 0.000 1.082 253 H CA 1.865 57.911 56.048 -0.003 0.000 1.308 253 H CB -0.241 29.517 29.762 -0.008 0.000 1.375 253 H HN 0.255 nan 8.280 nan 0.000 0.495 254 A N 1.412 124.351 122.820 0.198 0.000 1.917 254 A HA -0.206 4.116 4.320 0.004 0.000 0.219 254 A C 2.503 180.109 177.584 0.036 0.000 1.182 254 A CA 2.021 54.111 52.037 0.088 0.000 0.633 254 A CB -0.429 18.570 19.000 -0.002 0.000 0.819 254 A HN 0.485 nan 8.150 nan 0.000 0.448 255 K N -0.499 119.921 120.400 0.033 0.000 2.148 255 K HA 0.040 4.362 4.320 0.004 0.000 0.204 255 K C 2.104 178.704 176.600 0.001 0.000 1.050 255 K CA 0.882 57.182 56.287 0.022 0.000 0.942 255 K CB -0.290 32.232 32.500 0.036 0.000 0.724 255 K HN 0.434 nan 8.250 nan 0.000 0.446 256 A N 2.041 124.849 122.820 -0.020 0.000 2.178 256 A HA -0.170 4.153 4.320 0.004 0.000 0.218 256 A C 1.738 179.294 177.584 -0.047 0.000 1.157 256 A CA 1.340 53.347 52.037 -0.050 0.000 0.689 256 A CB -0.390 18.544 19.000 -0.110 0.000 0.787 256 A HN 0.451 nan 8.150 nan 0.000 0.465 257 R N -2.568 117.914 120.500 -0.031 0.000 2.538 257 R HA 0.387 4.729 4.340 0.004 0.000 0.372 257 R C 0.696 176.985 176.300 -0.017 0.000 0.950 257 R CA 0.274 56.361 56.100 -0.022 0.000 1.168 257 R CB -0.822 29.468 30.300 -0.018 0.000 1.542 257 R HN 0.715 nan 8.270 nan 0.000 0.536 258 G N 1.345 110.138 108.800 -0.011 0.000 2.342 258 G HA2 -0.148 3.814 3.960 0.004 0.000 0.267 258 G HA3 -0.148 3.814 3.960 0.004 0.000 0.267 258 G C 0.152 175.036 174.900 -0.026 0.000 0.922 258 G CA 0.295 45.388 45.100 -0.011 0.000 1.342 258 G HN 0.668 nan 8.290 nan 0.000 0.430 259 A N 1.273 124.070 122.820 -0.039 0.000 2.298 259 A HA 0.821 5.143 4.320 0.004 0.000 0.302 259 A C 0.592 178.137 177.584 -0.065 0.000 1.177 259 A CA -0.208 51.789 52.037 -0.067 0.000 0.912 259 A CB 0.866 19.812 19.000 -0.090 0.000 1.331 259 A HN 1.074 nan 8.150 nan 0.000 0.504 260 N N 0.186 118.837 118.700 -0.080 0.000 2.817 260 N HA 0.345 5.087 4.740 0.004 0.000 0.234 260 N C -0.986 174.462 175.510 -0.104 0.000 1.066 260 N CA -0.197 52.813 53.050 -0.067 0.000 0.926 260 N CB -0.354 38.101 38.487 -0.054 0.000 1.176 260 N HN 0.478 nan 8.380 nan 0.000 0.506 261 I N 3.443 123.920 120.570 -0.155 0.000 2.587 261 I HA -0.067 4.106 4.170 0.004 0.000 0.284 261 I C 0.739 176.749 176.117 -0.178 0.000 1.134 261 I CA -0.228 60.894 61.300 -0.296 0.000 1.410 261 I CB 0.643 38.189 38.000 -0.756 0.000 1.392 261 I HN 0.455 nan 8.210 nan 0.000 0.545 262 L N 6.397 127.544 121.223 -0.126 0.000 2.200 262 L HA 0.340 4.682 4.340 0.004 0.000 0.200 262 L C 0.900 177.782 176.870 0.020 0.000 1.072 262 L CA 1.120 55.932 54.840 -0.046 0.000 0.787 262 L CB -0.569 41.449 42.059 -0.068 0.000 0.957 262 L HN 0.799 nan 8.230 nan 0.000 0.459 263 A N -0.735 122.094 122.820 0.015 0.000 2.733 263 A HA 0.852 5.174 4.320 0.004 0.000 0.299 263 A C -1.136 176.527 177.584 0.132 0.000 1.252 263 A CA -0.596 51.520 52.037 0.132 0.000 0.677 263 A CB 1.048 20.146 19.000 0.162 0.000 1.361 263 A HN 0.128 nan 8.150 nan 0.000 0.528 264 R N -0.367 120.262 120.500 0.216 0.000 2.725 264 R HA 0.773 5.115 4.340 0.004 0.000 0.277 264 R C -1.572 174.790 176.300 0.103 0.000 0.987 264 R CA -0.547 55.658 56.100 0.176 0.000 0.901 264 R CB 1.627 32.078 30.300 0.251 0.000 1.207 264 R HN 0.721 nan 8.270 nan 0.000 0.463 265 I N 3.633 124.207 120.570 0.007 0.000 2.312 265 I HA 0.232 4.405 4.170 0.004 0.000 0.290 265 I C -0.124 175.854 176.117 -0.231 0.000 1.008 265 I CA -0.901 60.222 61.300 -0.294 0.000 1.226 265 I CB 1.111 38.914 38.000 -0.329 0.000 1.371 265 I HN 0.858 nan 8.210 nan 0.000 0.468 266 M N 6.727 126.082 119.600 -0.407 0.000 2.292 266 M HA 0.425 4.908 4.480 0.004 0.000 0.286 266 M C 0.454 176.421 176.300 -0.554 0.000 1.002 266 M CA -0.103 55.044 55.300 -0.255 0.000 1.029 266 M CB 1.144 33.671 32.600 -0.121 0.000 1.537 266 M HN 0.610 nan 8.290 nan 0.000 0.543 267 G N 0.575 108.745 108.800 -1.049 0.000 2.601 267 G HA2 0.764 4.726 3.960 0.004 0.000 0.291 267 G HA3 0.764 4.726 3.960 0.004 0.000 0.291 267 G C -2.201 172.061 174.900 -1.065 0.000 1.456 267 G CA -0.308 44.107 45.100 -1.141 0.000 0.804 267 G HN 0.200 nan 8.290 nan 0.000 0.499 268 A N -0.416 121.942 122.820 -0.770 0.000 2.547 268 A HA 0.828 5.150 4.320 0.004 0.000 0.300 268 A C -0.747 176.760 177.584 -0.128 0.000 1.061 268 A CA 0.313 52.118 52.037 -0.387 0.000 0.808 268 A CB 1.242 20.026 19.000 -0.361 0.000 1.304 268 A HN 1.900 nan 8.150 nan 0.000 0.393 269 S N 1.187 116.857 115.700 -0.050 0.000 2.599 269 S HA 0.890 5.362 4.470 0.004 0.000 0.294 269 S C -0.999 173.642 174.600 0.067 0.000 1.094 269 S CA -0.533 57.689 58.200 0.036 0.000 0.931 269 S CB 0.848 64.077 63.200 0.048 0.000 1.093 269 S HN 0.705 nan 8.310 nan 0.000 0.488 270 I N 2.827 123.452 120.570 0.091 0.000 2.447 270 I HA 0.429 4.601 4.170 0.004 0.000 0.287 270 I C -0.287 175.895 176.117 0.108 0.000 1.023 270 I CA -0.323 61.036 61.300 0.099 0.000 1.083 270 I CB 2.238 40.288 38.000 0.085 0.000 1.245 270 I HN 0.514 nan 8.210 nan 0.000 0.434 271 T N 2.977 117.600 114.554 0.116 0.000 2.864 271 T HA 0.682 5.034 4.350 0.004 0.000 0.289 271 T C -0.682 174.058 174.700 0.068 0.000 1.082 271 T CA -0.768 61.381 62.100 0.083 0.000 1.009 271 T CB 2.105 71.023 68.868 0.084 0.000 1.234 271 T HN 0.684 nan 8.240 nan 0.000 0.526 272 S N -0.460 115.250 115.700 0.016 0.000 2.564 272 S HA 0.523 4.995 4.470 0.004 0.000 0.274 272 S C -0.415 174.166 174.600 -0.032 0.000 1.124 272 S CA -0.751 57.437 58.200 -0.020 0.000 0.869 272 S CB 1.914 65.100 63.200 -0.023 0.000 1.105 272 S HN 0.505 nan 8.310 nan 0.000 0.472 273 D N 1.245 121.626 120.400 -0.032 0.000 2.216 273 D HA 0.172 4.815 4.640 0.004 0.000 0.208 273 D C 1.731 178.072 176.300 0.068 0.000 0.960 273 D CA 1.561 55.569 54.000 0.014 0.000 0.861 273 D CB -0.687 40.145 40.800 0.053 0.000 0.985 273 D HN 1.161 nan 8.370 nan 0.000 0.493 274 G N 0.694 109.519 108.800 0.041 0.000 2.244 274 G HA2 -0.362 3.600 3.960 0.004 0.000 0.274 274 G HA3 -0.362 3.600 3.960 0.004 0.000 0.274 274 G C 0.590 175.563 174.900 0.121 0.000 1.002 274 G CA 1.038 46.167 45.100 0.049 0.000 0.740 274 G HN 0.370 nan 8.290 nan 0.000 0.516 275 F N -0.005 119.944 119.950 -0.002 0.000 2.202 275 F HA 0.380 4.909 4.527 0.004 0.000 0.266 275 F C 1.442 177.297 175.800 0.092 0.000 1.173 275 F CA 1.148 59.169 58.000 0.034 0.000 1.075 275 F CB 0.161 39.179 39.000 0.030 0.000 1.046 275 F HN 0.223 nan 8.300 nan 0.000 0.531 276 H N 1.002 120.092 119.070 0.033 0.000 2.529 276 H HA 0.269 4.827 4.556 0.003 0.000 0.348 276 H C 0.533 175.871 175.328 0.016 0.000 1.152 276 H CA -0.505 55.502 56.048 -0.068 0.000 1.202 276 H CB 1.890 31.675 29.762 0.037 0.000 1.562 276 H HN 0.485 nan 8.280 nan 0.000 0.515 277 M N 2.858 122.143 119.600 -0.525 0.000 2.628 277 M HA 0.129 4.612 4.480 0.004 0.000 0.232 277 M C -0.712 175.386 176.300 -0.337 0.000 1.128 277 M CA 0.604 55.695 55.300 -0.349 0.000 1.040 277 M CB 0.374 32.805 32.600 -0.281 0.000 1.608 277 M HN 0.216 nan 8.290 nan 0.000 0.507 278 V N -0.922 118.723 119.914 -0.448 0.000 3.151 278 V HA 0.442 4.564 4.120 0.004 0.000 0.235 278 V C 0.813 177.046 176.094 0.232 0.000 1.501 278 V CA 0.301 62.540 62.300 -0.101 0.000 1.211 278 V CB 0.362 32.094 31.823 -0.150 0.000 1.049 278 V HN 0.432 nan 8.190 nan 0.000 0.455 279 A N 2.853 125.991 122.820 0.531 0.000 2.324 279 A HA 0.829 5.151 4.320 0.004 0.000 0.330 279 A C -2.821 174.993 177.584 0.382 0.000 1.165 279 A CA -1.679 50.627 52.037 0.449 0.000 0.813 279 A CB 0.788 20.009 19.000 0.369 0.000 1.197 279 A HN 0.187 nan 8.150 nan 0.000 0.484 280 P HA 0.188 nan 4.420 nan 0.000 0.290 280 P C -0.801 176.518 177.300 0.033 0.000 1.276 280 P CA -0.213 62.978 63.100 0.153 0.000 0.808 280 P CB 0.976 32.749 31.700 0.122 0.000 0.966 281 D N 4.579 124.896 120.400 -0.139 0.000 2.586 281 D HA -0.056 4.586 4.640 0.004 0.000 0.234 281 D C -0.852 175.277 176.300 -0.284 0.000 1.132 281 D CA -0.969 52.726 54.000 -0.508 0.000 0.860 281 D CB 0.442 40.903 40.800 -0.565 0.000 1.159 281 D HN 0.247 nan 8.370 nan 0.000 0.490 282 P HA -0.126 nan 4.420 nan 0.000 0.228 282 P C 0.392 177.622 177.300 -0.117 0.000 1.151 282 P CA 1.077 64.098 63.100 -0.131 0.000 0.770 282 P CB 0.227 31.870 31.700 -0.096 0.000 0.786 283 N N -0.867 117.736 118.700 -0.161 0.000 2.402 283 N HA 0.100 4.842 4.740 0.004 0.000 0.174 283 N C 0.930 176.374 175.510 -0.109 0.000 1.027 283 N CA 0.680 53.660 53.050 -0.117 0.000 0.891 283 N CB 0.022 38.440 38.487 -0.115 0.000 1.016 283 N HN 0.029 nan 8.380 nan 0.000 0.439 284 G N 1.749 110.460 108.800 -0.148 0.000 2.225 284 G HA2 -0.303 3.659 3.960 0.004 0.000 0.264 284 G HA3 -0.303 3.659 3.960 0.004 0.000 0.264 284 G C 0.420 175.239 174.900 -0.135 0.000 1.060 284 G CA 0.675 45.679 45.100 -0.159 0.000 0.833 284 G HN 0.502 nan 8.290 nan 0.000 0.498 285 E N -0.517 119.611 120.200 -0.120 0.000 2.017 285 E HA -0.165 4.187 4.350 0.004 0.000 0.193 285 E C 2.540 179.108 176.600 -0.054 0.000 0.997 285 E CA 1.084 57.438 56.400 -0.076 0.000 0.804 285 E CB -0.077 29.576 29.700 -0.079 0.000 0.757 285 E HN 0.381 nan 8.360 nan 0.000 0.448 286 R N -0.049 120.398 120.500 -0.087 0.000 2.148 286 R HA 0.043 4.386 4.340 0.004 0.000 0.223 286 R C 1.988 178.247 176.300 -0.069 0.000 1.088 286 R CA 0.943 57.001 56.100 -0.070 0.000 0.985 286 R CB -0.697 29.548 30.300 -0.091 0.000 0.880 286 R HN 0.259 nan 8.270 nan 0.000 0.451 287 A N 0.361 123.059 122.820 -0.203 0.000 1.897 287 A HA 0.028 4.351 4.320 0.004 0.000 0.215 287 A C 2.321 179.759 177.584 -0.243 0.000 1.181 287 A CA 1.485 53.259 52.037 -0.438 0.000 0.620 287 A CB -0.824 17.668 19.000 -0.846 0.000 0.821 287 A HN 0.363 nan 8.150 nan 0.000 0.443 288 G N -1.743 106.979 108.800 -0.130 0.000 2.448 288 G HA2 -0.234 3.729 3.960 0.004 0.000 0.218 288 G HA3 -0.234 3.729 3.960 0.004 0.000 0.218 288 G C 1.537 176.451 174.900 0.024 0.000 1.135 288 G CA 1.082 46.163 45.100 -0.032 0.000 0.784 288 G HN 0.701 nan 8.290 nan 0.000 0.543 289 H N 1.173 120.215 119.070 -0.047 0.000 2.428 289 H HA 0.150 4.708 4.556 0.003 0.000 0.296 289 H C 2.532 177.862 175.328 0.003 0.000 1.062 289 H CA 1.179 57.215 56.048 -0.019 0.000 1.350 289 H CB -0.045 29.703 29.762 -0.023 0.000 1.403 289 H HN 0.289 nan 8.280 nan 0.000 0.533 290 A N 1.208 124.105 122.820 0.129 0.000 2.067 290 A HA -0.041 4.281 4.320 0.004 0.000 0.219 290 A C 2.326 179.928 177.584 0.030 0.000 1.158 290 A CA 0.806 52.909 52.037 0.110 0.000 0.661 290 A CB -0.347 18.758 19.000 0.175 0.000 0.801 290 A HN 0.357 nan 8.150 nan 0.000 0.452 291 I N -0.223 120.363 120.570 0.027 0.000 2.333 291 I HA -0.114 4.059 4.170 0.004 0.000 0.246 291 I C 2.320 178.402 176.117 -0.058 0.000 1.106 291 I CA 1.660 62.967 61.300 0.013 0.000 1.411 291 I CB -2.052 35.976 38.000 0.046 0.000 1.082 291 I HN 0.190 nan 8.210 nan 0.000 0.420 292 T N 1.226 115.711 114.554 -0.116 0.000 2.788 292 T HA -0.123 4.229 4.350 0.004 0.000 0.268 292 T C 2.065 176.664 174.700 -0.169 0.000 1.044 292 T CA 1.098 63.104 62.100 -0.158 0.000 1.139 292 T CB -0.062 68.661 68.868 -0.242 0.000 0.867 292 T HN 0.185 nan 8.240 nan 0.000 0.454 293 R N 0.921 121.301 120.500 -0.201 0.000 2.093 293 R HA 0.267 4.609 4.340 0.004 0.000 0.224 293 R C 2.721 178.971 176.300 -0.083 0.000 1.101 293 R CA 1.069 57.095 56.100 -0.124 0.000 0.979 293 R CB -0.931 29.316 30.300 -0.088 0.000 0.877 293 R HN 0.428 nan 8.270 nan 0.000 0.441 294 A N 1.093 123.853 122.820 -0.101 0.000 1.930 294 A HA -0.075 4.247 4.320 0.004 0.000 0.217 294 A C 2.222 179.715 177.584 -0.152 0.000 1.175 294 A CA 1.027 52.972 52.037 -0.153 0.000 0.627 294 A CB -0.414 18.499 19.000 -0.144 0.000 0.815 294 A HN 0.176 nan 8.150 nan 0.000 0.443 295 I N -0.800 119.703 120.570 -0.111 0.000 2.353 295 I HA -0.254 3.918 4.170 0.004 0.000 0.248 295 I C 2.734 178.794 176.117 -0.096 0.000 1.119 295 I CA 1.163 62.400 61.300 -0.104 0.000 1.417 295 I CB -0.324 37.631 38.000 -0.074 0.000 1.078 295 I HN 0.431 nan 8.210 nan 0.000 0.421 296 Q N 0.457 120.212 119.800 -0.074 0.000 2.096 296 Q HA -0.067 4.275 4.340 0.004 0.000 0.197 296 Q C 2.351 178.342 176.000 -0.016 0.000 0.964 296 Q CA 1.097 56.871 55.803 -0.047 0.000 0.838 296 Q CB -0.017 28.702 28.738 -0.031 0.000 0.906 296 Q HN 0.467 nan 8.270 nan 0.000 0.444 297 L N 0.197 121.428 121.223 0.014 0.000 2.353 297 L HA -0.116 4.227 4.340 0.004 0.000 0.220 297 L C 2.047 178.972 176.870 0.091 0.000 1.133 297 L CA 0.760 55.675 54.840 0.125 0.000 0.798 297 L CB -0.202 41.969 42.059 0.187 0.000 0.922 297 L HN 0.157 nan 8.230 nan 0.000 0.445 298 A N -0.686 122.104 122.820 -0.050 0.000 2.195 298 A HA 0.363 4.685 4.320 0.004 0.000 0.210 298 A C 1.629 179.153 177.584 -0.099 0.000 1.165 298 A CA 0.556 52.534 52.037 -0.099 0.000 0.806 298 A CB -0.193 18.685 19.000 -0.203 0.000 0.847 298 A HN 0.410 nan 8.150 nan 0.000 0.482 299 G N -0.567 108.185 108.800 -0.080 0.000 2.256 299 G HA2 -0.189 3.773 3.960 0.004 0.000 0.272 299 G HA3 -0.189 3.773 3.960 0.004 0.000 0.272 299 G C -0.104 174.735 174.900 -0.102 0.000 1.076 299 G CA 0.651 45.703 45.100 -0.079 0.000 0.882 299 G HN 0.475 nan 8.290 nan 0.000 0.497 300 L N -1.243 119.906 121.223 -0.125 0.000 2.211 300 L HA 0.988 5.330 4.340 0.004 0.000 0.259 300 L C 0.548 177.375 176.870 -0.072 0.000 1.031 300 L CA -0.897 53.861 54.840 -0.135 0.000 0.877 300 L CB 1.831 43.746 42.059 -0.240 0.000 1.457 300 L HN 0.431 nan 8.230 nan 0.000 0.466 301 A N -0.726 122.071 122.820 -0.038 0.000 2.413 301 A HA 0.691 5.013 4.320 0.004 0.000 0.307 301 A C -2.360 175.227 177.584 0.005 0.000 1.087 301 A CA -1.450 50.579 52.037 -0.013 0.000 0.750 301 A CB 1.285 20.288 19.000 0.005 0.000 1.296 301 A HN 0.494 nan 8.150 nan 0.000 0.423 302 P HA -0.149 nan 4.420 nan 0.000 0.218 302 P C 1.396 178.718 177.300 0.038 0.000 1.146 302 P CA 2.085 65.194 63.100 0.015 0.000 0.820 302 P CB 0.278 31.983 31.700 0.007 0.000 0.778 303 G N -1.255 107.571 108.800 0.044 0.000 2.813 303 G HA2 -0.119 3.843 3.960 0.004 0.000 0.209 303 G HA3 -0.119 3.843 3.960 0.004 0.000 0.209 303 G C 0.755 175.713 174.900 0.096 0.000 1.150 303 G CA 0.238 45.374 45.100 0.060 0.000 0.785 303 G HN 0.215 nan 8.290 nan 0.000 0.535 304 D N 0.137 120.610 120.400 0.122 0.000 2.323 304 D HA 0.056 4.698 4.640 0.004 0.000 0.209 304 D C 0.815 177.281 176.300 0.276 0.000 0.973 304 D CA 0.024 54.161 54.000 0.229 0.000 0.874 304 D CB 0.413 41.381 40.800 0.280 0.000 0.930 304 D HN 0.131 nan 8.370 nan 0.000 0.521 305 I N 1.496 122.175 120.570 0.182 0.000 2.436 305 I HA 0.025 4.197 4.170 0.004 0.000 0.289 305 I C 0.462 176.680 176.117 0.169 0.000 1.083 305 I CA 0.465 61.873 61.300 0.180 0.000 1.372 305 I CB 0.980 39.044 38.000 0.107 0.000 1.408 305 I HN -0.115 nan 8.210 nan 0.000 0.516 306 D N 3.286 123.811 120.400 0.208 0.000 2.379 306 D HA 0.041 4.683 4.640 0.004 0.000 0.218 306 D C 0.602 177.018 176.300 0.193 0.000 1.006 306 D CA 0.772 54.908 54.000 0.226 0.000 0.893 306 D CB 0.476 41.482 40.800 0.343 0.000 1.019 306 D HN 0.560 nan 8.370 nan 0.000 0.503 307 H N -0.555 118.522 119.070 0.012 0.000 2.797 307 H HA 0.593 5.151 4.556 0.003 0.000 0.372 307 H C -1.596 173.736 175.328 0.007 0.000 1.168 307 H CA -0.869 55.137 56.048 -0.070 0.000 1.163 307 H CB 1.947 31.581 29.762 -0.214 0.000 1.778 307 H HN -0.292 nan 8.280 nan 0.000 0.551 308 V N 4.456 124.087 119.914 -0.472 0.000 2.568 308 V HA 0.003 4.125 4.120 0.004 0.000 0.276 308 V C 0.051 175.854 176.094 -0.486 0.000 1.002 308 V CA -1.001 61.076 62.300 -0.373 0.000 0.879 308 V CB 1.038 32.797 31.823 -0.108 0.000 1.040 308 V HN 0.728 nan 8.190 nan 0.000 0.457 309 N N 4.089 122.443 118.700 -0.576 0.000 2.744 309 N HA 0.180 4.923 4.740 0.004 0.000 0.290 309 N C 0.555 175.959 175.510 -0.177 0.000 1.206 309 N CA 0.316 53.182 53.050 -0.307 0.000 1.119 309 N CB 0.993 39.366 38.487 -0.190 0.000 1.449 309 N HN 0.837 nan 8.380 nan 0.000 0.514 310 A N 2.099 124.870 122.820 -0.081 0.000 2.577 310 A HA -0.137 4.185 4.320 0.004 0.000 0.233 310 A C 0.325 177.869 177.584 -0.066 0.000 1.076 310 A CA 0.291 52.334 52.037 0.011 0.000 0.767 310 A CB -0.063 19.095 19.000 0.264 0.000 1.017 310 A HN 0.830 nan 8.150 nan 0.000 0.511 311 H N 0.208 119.171 119.070 -0.180 0.000 2.369 311 H HA 0.566 5.124 4.556 0.004 0.000 0.228 311 H C -0.157 175.067 175.328 -0.173 0.000 1.548 311 H CA 0.309 56.203 56.048 -0.256 0.000 1.275 311 H CB -0.287 29.236 29.762 -0.398 0.000 1.549 311 H HN 0.725 nan 8.280 nan 0.000 0.542 312 A N 2.204 124.808 122.820 -0.360 0.000 2.258 312 A HA 0.346 4.668 4.320 0.004 0.000 0.316 312 A C 1.409 178.729 177.584 -0.441 0.000 1.279 312 A CA -0.071 51.691 52.037 -0.459 0.000 0.876 312 A CB 0.292 18.801 19.000 -0.818 0.000 1.170 312 A HN 0.754 nan 8.150 nan 0.000 0.520 313 T N -0.474 113.859 114.554 -0.368 0.000 2.937 313 T HA 0.367 4.719 4.350 0.004 0.000 0.260 313 T C 1.317 175.962 174.700 -0.091 0.000 1.051 313 T CA 1.337 63.321 62.100 -0.194 0.000 1.141 313 T CB 0.007 68.789 68.868 -0.143 0.000 0.879 313 T HN 2.159 nan 8.240 nan 0.000 0.459 314 G N 1.260 109.987 108.800 -0.122 0.000 2.198 314 G HA2 -0.064 3.898 3.960 0.004 0.000 0.156 314 G HA3 -0.064 3.898 3.960 0.004 0.000 0.156 314 G C 0.160 175.057 174.900 -0.005 0.000 1.012 314 G CA -0.027 45.024 45.100 -0.082 0.000 0.692 314 G HN 1.063 nan 8.290 nan 0.000 0.492 315 T N -1.506 113.065 114.554 0.029 0.000 2.897 315 T HA 0.547 4.900 4.350 0.004 0.000 0.294 315 T C 1.217 175.950 174.700 0.054 0.000 1.004 315 T CA 0.440 62.590 62.100 0.082 0.000 1.106 315 T CB 2.307 71.265 68.868 0.150 0.000 0.949 315 T HN 0.067 nan 8.240 nan 0.000 0.520 316 Q N 1.775 121.611 119.800 0.060 0.000 2.029 316 Q HA -0.162 4.181 4.340 0.004 0.000 0.209 316 Q C 2.154 178.189 176.000 0.059 0.000 0.999 316 Q CA 2.735 58.570 55.803 0.052 0.000 0.857 316 Q CB -0.992 27.775 28.738 0.049 0.000 0.926 316 Q HN 0.854 nan 8.270 nan 0.000 0.415 317 V N -3.117 116.840 119.914 0.071 0.000 3.129 317 V HA 0.216 4.338 4.120 0.004 0.000 0.259 317 V C 1.840 177.985 176.094 0.084 0.000 1.116 317 V CA 1.513 63.857 62.300 0.073 0.000 1.127 317 V CB -0.728 31.143 31.823 0.081 0.000 0.742 317 V HN 0.315 nan 8.190 nan 0.000 0.474 318 G N 0.466 109.320 108.800 0.091 0.000 2.395 318 G HA2 -0.123 3.840 3.960 0.004 0.000 0.214 318 G HA3 -0.123 3.840 3.960 0.004 0.000 0.214 318 G C 1.159 176.102 174.900 0.071 0.000 1.177 318 G CA 0.878 46.034 45.100 0.092 0.000 0.794 318 G HN 0.504 nan 8.290 nan 0.000 0.532 319 D N 0.218 120.639 120.400 0.034 0.000 2.224 319 D HA -0.057 4.586 4.640 0.004 0.000 0.205 319 D C 2.346 178.741 176.300 0.159 0.000 0.965 319 D CA 0.348 54.376 54.000 0.046 0.000 0.852 319 D CB -0.063 40.697 40.800 -0.068 0.000 0.947 319 D HN 0.261 nan 8.370 nan 0.000 0.494 320 L N 0.920 122.211 121.223 0.112 0.000 2.072 320 L HA 0.036 4.378 4.340 0.004 0.000 0.205 320 L C 2.061 178.978 176.870 0.079 0.000 1.079 320 L CA 1.471 56.371 54.840 0.101 0.000 0.752 320 L CB -0.562 41.538 42.059 0.068 0.000 0.906 320 L HN -0.052 nan 8.230 nan 0.000 0.436 321 A N -0.974 121.884 122.820 0.063 0.000 2.066 321 A HA -0.189 4.133 4.320 0.004 0.000 0.218 321 A C 2.279 179.884 177.584 0.036 0.000 1.157 321 A CA 1.462 53.514 52.037 0.024 0.000 0.670 321 A CB -0.566 18.437 19.000 0.006 0.000 0.804 321 A HN 0.648 nan 8.150 nan 0.000 0.453 322 E N -0.359 119.909 120.200 0.115 0.000 2.051 322 E HA -0.029 4.323 4.350 0.004 0.000 0.189 322 E C 2.054 178.753 176.600 0.164 0.000 0.979 322 E CA 0.848 57.358 56.400 0.183 0.000 0.803 322 E CB -0.473 29.416 29.700 0.316 0.000 0.761 322 E HN 0.418 nan 8.360 nan 0.000 0.451 323 G N 0.962 109.866 108.800 0.174 0.000 2.450 323 G HA2 -0.323 3.639 3.960 0.004 0.000 0.220 323 G HA3 -0.323 3.639 3.960 0.004 0.000 0.220 323 G C 1.749 176.678 174.900 0.047 0.000 1.130 323 G CA 0.880 46.039 45.100 0.098 0.000 0.760 323 G HN 0.196 nan 8.290 nan 0.000 0.557 324 R N 0.411 120.935 120.500 0.040 0.000 2.148 324 R HA 0.210 4.552 4.340 0.004 0.000 0.223 324 R C 2.650 178.948 176.300 -0.003 0.000 1.088 324 R CA 1.315 57.420 56.100 0.009 0.000 0.985 324 R CB -0.260 30.038 30.300 -0.004 0.000 0.880 324 R HN 0.259 nan 8.270 nan 0.000 0.451 325 A N 0.353 123.171 122.820 -0.003 0.000 2.072 325 A HA 0.033 4.355 4.320 0.004 0.000 0.216 325 A C 1.796 179.390 177.584 0.017 0.000 1.156 325 A CA 0.545 52.567 52.037 -0.026 0.000 0.701 325 A CB -0.141 18.797 19.000 -0.104 0.000 0.816 325 A HN 0.219 nan 8.150 nan 0.000 0.458 326 I N 0.770 121.368 120.570 0.046 0.000 2.233 326 I HA -0.198 3.974 4.170 0.004 0.000 0.243 326 I C 1.741 177.871 176.117 0.022 0.000 1.093 326 I CA 1.412 62.742 61.300 0.049 0.000 1.380 326 I CB -1.849 36.177 38.000 0.043 0.000 1.067 326 I HN 0.423 nan 8.210 nan 0.000 0.413 327 N N 1.080 119.787 118.700 0.011 0.000 2.309 327 N HA -0.130 4.612 4.740 0.004 0.000 0.182 327 N C 1.472 176.984 175.510 0.003 0.000 1.018 327 N CA 0.623 53.676 53.050 0.004 0.000 0.876 327 N CB -0.047 38.440 38.487 -0.000 0.000 0.972 327 N HN 0.371 nan 8.380 nan 0.000 0.434 328 N N 0.970 119.671 118.700 0.001 0.000 2.216 328 N HA -0.039 4.703 4.740 0.004 0.000 0.183 328 N C 1.594 177.105 175.510 0.001 0.000 1.017 328 N CA 0.845 53.894 53.050 -0.002 0.000 0.861 328 N CB -0.152 38.330 38.487 -0.008 0.000 0.986 328 N HN 0.232 nan 8.380 nan 0.000 0.428 329 A N 0.943 123.764 122.820 0.003 0.000 1.878 329 A HA 0.119 4.441 4.320 0.004 0.000 0.213 329 A C 2.337 179.921 177.584 0.000 0.000 1.192 329 A CA 0.495 52.530 52.037 -0.003 0.000 0.619 329 A CB -0.486 18.515 19.000 0.001 0.000 0.837 329 A HN 0.111 nan 8.150 nan 0.000 0.446 330 L N -1.562 119.666 121.223 0.008 0.000 2.023 330 L HA 0.183 4.525 4.340 0.004 0.000 0.205 330 L C 2.123 178.999 176.870 0.009 0.000 1.073 330 L CA 0.976 55.823 54.840 0.011 0.000 0.745 330 L CB -1.023 41.046 42.059 0.017 0.000 0.900 330 L HN 0.646 nan 8.230 nan 0.000 0.435 331 G N -0.411 108.393 108.800 0.007 0.000 2.972 331 G HA2 -0.296 3.666 3.960 0.004 0.000 0.265 331 G HA3 -0.296 3.666 3.960 0.004 0.000 0.265 331 G C 0.841 175.745 174.900 0.006 0.000 1.506 331 G CA 0.071 45.174 45.100 0.005 0.000 1.016 331 G HN 0.375 nan 8.290 nan 0.000 0.563 332 G N 1.058 109.863 108.800 0.008 0.000 2.539 332 G HA2 0.173 4.135 3.960 0.004 0.000 0.215 332 G HA3 0.173 4.135 3.960 0.004 0.000 0.215 332 G C 0.714 175.621 174.900 0.012 0.000 1.141 332 G CA 0.918 46.024 45.100 0.009 0.000 0.806 332 G HN 0.688 nan 8.290 nan 0.000 0.533 333 N N 0.847 119.557 118.700 0.017 0.000 2.374 333 N HA 0.145 4.887 4.740 0.004 0.000 0.241 333 N C -0.236 175.288 175.510 0.023 0.000 1.262 333 N CA 0.599 53.663 53.050 0.025 0.000 0.880 333 N CB 0.464 38.971 38.487 0.033 0.000 1.105 333 N HN 0.132 nan 8.380 nan 0.000 0.438 334 R N 1.811 122.328 120.500 0.029 0.000 2.575 334 R HA 0.321 4.663 4.340 0.004 0.000 0.292 334 R C -2.327 173.998 176.300 0.042 0.000 1.246 334 R CA -1.109 55.006 56.100 0.024 0.000 0.973 334 R CB 2.044 32.352 30.300 0.014 0.000 1.187 334 R HN 0.501 nan 8.270 nan 0.000 0.478 335 P HA 0.354 nan 4.420 nan 0.000 0.283 335 P C -0.795 176.547 177.300 0.070 0.000 1.271 335 P CA -0.668 62.478 63.100 0.076 0.000 0.841 335 P CB 1.283 33.029 31.700 0.076 0.000 1.122 336 A N 1.653 124.539 122.820 0.110 0.000 2.395 336 A HA 0.379 4.701 4.320 0.004 0.000 0.286 336 A C 0.280 177.970 177.584 0.177 0.000 1.193 336 A CA -0.357 51.749 52.037 0.114 0.000 0.852 336 A CB -0.644 18.417 19.000 0.101 0.000 1.118 336 A HN 0.339 nan 8.150 nan 0.000 0.524 337 V N 3.211 123.184 119.914 0.099 0.000 2.567 337 V HA 0.371 4.494 4.120 0.004 0.000 0.289 337 V C -0.459 175.791 176.094 0.259 0.000 1.049 337 V CA -0.176 62.185 62.300 0.102 0.000 0.969 337 V CB 1.039 32.816 31.823 -0.077 0.000 0.995 337 V HN 0.754 nan 8.190 nan 0.000 0.471 338 Y N 3.666 124.059 120.300 0.156 0.000 2.307 338 Y HA 0.659 5.211 4.550 0.003 0.000 0.323 338 Y C -0.276 175.723 175.900 0.164 0.000 1.100 338 Y CA -1.176 57.040 58.100 0.193 0.000 1.140 338 Y CB 1.106 39.706 38.460 0.234 0.000 1.159 338 Y HN 0.705 nan 8.280 nan 0.000 0.436 339 A N 9.258 131.962 122.820 -0.193 0.000 2.366 339 A HA 0.477 4.799 4.320 0.004 0.000 0.322 339 A C -1.993 175.210 177.584 -0.636 0.000 1.397 339 A CA -1.530 50.286 52.037 -0.368 0.000 0.984 339 A CB 0.205 19.069 19.000 -0.227 0.000 1.149 339 A HN 0.622 nan 8.150 nan 0.000 0.540 340 P HA -0.186 nan 4.420 nan 0.000 0.222 340 P C 0.990 178.164 177.300 -0.211 0.000 1.147 340 P CA 1.011 63.774 63.100 -0.562 0.000 0.790 340 P CB 0.229 31.704 31.700 -0.375 0.000 0.780 341 K N 0.829 121.098 120.400 -0.219 0.000 2.074 341 K HA -0.136 4.186 4.320 0.004 0.000 0.209 341 K C 2.398 178.954 176.600 -0.073 0.000 1.048 341 K CA 2.108 58.313 56.287 -0.137 0.000 0.926 341 K CB -0.721 31.671 32.500 -0.181 0.000 0.713 341 K HN 0.278 nan 8.250 nan 0.000 0.444 342 S N 0.643 116.292 115.700 -0.084 0.000 2.440 342 S HA -0.129 4.343 4.470 0.004 0.000 0.238 342 S C 1.998 176.600 174.600 0.002 0.000 1.010 342 S CA 1.133 59.313 58.200 -0.034 0.000 0.972 342 S CB -0.129 63.055 63.200 -0.026 0.000 0.774 342 S HN 0.340 nan 8.310 nan 0.000 0.501 343 A N 0.058 122.889 122.820 0.018 0.000 2.197 343 A HA 0.601 4.923 4.320 0.004 0.000 0.210 343 A C 1.915 179.517 177.584 0.031 0.000 1.180 343 A CA 0.092 52.155 52.037 0.042 0.000 0.846 343 A CB -0.036 19.020 19.000 0.095 0.000 0.884 343 A HN 0.497 nan 8.150 nan 0.000 0.487 344 L N -2.270 118.965 121.223 0.019 0.000 2.638 344 L HA 0.506 4.849 4.340 0.004 0.000 0.195 344 L C 1.040 177.926 176.870 0.026 0.000 1.065 344 L CA 0.571 55.426 54.840 0.024 0.000 0.859 344 L CB 0.470 42.548 42.059 0.032 0.000 1.269 344 L HN 0.498 nan 8.230 nan 0.000 0.484 345 G N -1.050 107.768 108.800 0.029 0.000 2.334 345 G HA2 -0.089 3.873 3.960 0.004 0.000 0.566 345 G HA3 -0.089 3.873 3.960 0.004 0.000 0.566 345 G C -1.406 173.560 174.900 0.110 0.000 1.413 345 G CA -0.861 44.290 45.100 0.085 0.000 0.993 345 G HN 0.139 nan 8.290 nan 0.000 0.642 346 H N 1.567 120.704 119.070 0.111 0.000 3.205 346 H HA 0.411 4.969 4.556 0.004 0.000 0.262 346 H C 1.755 177.189 175.328 0.176 0.000 1.333 346 H CA 0.892 56.974 56.048 0.056 0.000 1.499 346 H CB 0.925 30.643 29.762 -0.074 0.000 1.609 346 H HN 0.465 nan 8.280 nan 0.000 0.498 347 S N 3.203 118.984 115.700 0.135 0.000 2.374 347 S HA -0.185 4.288 4.470 0.004 0.000 0.227 347 S C 1.764 176.476 174.600 0.187 0.000 1.037 347 S CA 1.563 59.844 58.200 0.136 0.000 1.024 347 S CB -0.068 63.161 63.200 0.049 0.000 0.861 347 S HN 0.727 nan 8.310 nan 0.000 0.456 348 V N -1.019 118.996 119.914 0.168 0.000 0.668 348 V HA -0.336 3.786 4.120 0.004 0.000 0.092 348 V C 1.465 177.609 176.094 0.083 0.000 1.112 348 V CA 2.626 65.058 62.300 0.220 0.000 3.171 348 V CB -1.852 30.190 31.823 0.364 0.000 0.369 348 V HN 0.500 nan 8.190 nan 0.000 0.349 349 G N -0.556 108.296 108.800 0.086 0.000 2.448 349 G HA2 0.166 4.128 3.960 0.004 0.000 0.219 349 G HA3 0.166 4.128 3.960 0.004 0.000 0.219 349 G C 1.407 176.312 174.900 0.009 0.000 1.127 349 G CA 1.777 46.901 45.100 0.040 0.000 0.766 349 G HN 1.848 nan 8.290 nan 0.000 0.552 350 A N -0.585 122.247 122.820 0.019 0.000 2.140 350 A HA 0.443 4.765 4.320 0.004 0.000 0.209 350 A C 2.240 179.810 177.584 -0.023 0.000 1.181 350 A CA 0.872 52.911 52.037 0.004 0.000 0.824 350 A CB -0.155 18.863 19.000 0.029 0.000 0.879 350 A HN 0.270 nan 8.150 nan 0.000 0.480 351 V N 0.476 120.362 119.914 -0.047 0.000 2.392 351 V HA -0.195 3.927 4.120 0.004 0.000 0.249 351 V C 2.337 178.362 176.094 -0.115 0.000 1.059 351 V CA 2.586 64.826 62.300 -0.100 0.000 1.051 351 V CB -0.717 30.978 31.823 -0.213 0.000 0.658 351 V HN 0.519 nan 8.190 nan 0.000 0.455 352 G N -1.214 107.512 108.800 -0.123 0.000 2.408 352 G HA2 -0.150 3.812 3.960 0.004 0.000 0.217 352 G HA3 -0.150 3.812 3.960 0.004 0.000 0.217 352 G C 1.719 176.565 174.900 -0.091 0.000 1.150 352 G CA 0.899 45.917 45.100 -0.136 0.000 0.776 352 G HN 0.731 nan 8.290 nan 0.000 0.542 353 A N 0.076 122.859 122.820 -0.061 0.000 1.929 353 A HA 0.179 4.501 4.320 0.004 0.000 0.216 353 A C 2.559 180.112 177.584 -0.052 0.000 1.176 353 A CA 1.537 53.550 52.037 -0.040 0.000 0.628 353 A CB -0.438 18.548 19.000 -0.024 0.000 0.816 353 A HN 0.217 nan 8.150 nan 0.000 0.444 354 V N 0.511 120.395 119.914 -0.050 0.000 2.358 354 V HA -0.235 3.887 4.120 0.004 0.000 0.246 354 V C 2.282 178.339 176.094 -0.061 0.000 1.047 354 V CA 2.162 64.438 62.300 -0.040 0.000 1.035 354 V CB -0.793 31.018 31.823 -0.020 0.000 0.658 354 V HN 0.644 nan 8.190 nan 0.000 0.452 355 E N -0.134 120.012 120.200 -0.090 0.000 2.347 355 E HA -0.111 4.241 4.350 0.004 0.000 0.196 355 E C 2.277 178.773 176.600 -0.174 0.000 1.008 355 E CA 1.111 57.444 56.400 -0.111 0.000 0.852 355 E CB -0.119 29.499 29.700 -0.137 0.000 0.783 355 E HN 0.480 nan 8.360 nan 0.000 0.505 356 S N 0.753 116.335 115.700 -0.196 0.000 2.436 356 S HA 0.030 4.502 4.470 0.004 0.000 0.228 356 S C 1.893 176.232 174.600 -0.435 0.000 1.014 356 S CA 0.415 58.398 58.200 -0.362 0.000 0.950 356 S CB 0.063 63.189 63.200 -0.123 0.000 0.784 356 S HN 0.216 nan 8.310 nan 0.000 0.504 357 I N 0.988 121.419 120.570 -0.231 0.000 2.876 357 I HA -0.008 4.165 4.170 0.004 0.000 0.264 357 I C 1.503 177.485 176.117 -0.225 0.000 1.204 357 I CA 0.752 61.930 61.300 -0.203 0.000 1.485 357 I CB -0.111 37.820 38.000 -0.114 0.000 1.103 357 I HN 0.232 nan 8.210 nan 0.000 0.446 358 L N -0.178 120.956 121.223 -0.148 0.000 2.341 358 L HA -0.043 4.299 4.340 0.004 0.000 0.214 358 L C 2.329 179.176 176.870 -0.038 0.000 1.115 358 L CA 0.887 55.717 54.840 -0.016 0.000 0.820 358 L CB -0.620 41.551 42.059 0.187 0.000 0.944 358 L HN 0.180 nan 8.230 nan 0.000 0.452 359 T N -0.654 113.784 114.554 -0.193 0.000 2.951 359 T HA -0.071 4.281 4.350 0.004 0.000 0.268 359 T C 1.996 176.566 174.700 -0.216 0.000 1.073 359 T CA 0.784 62.773 62.100 -0.186 0.000 1.134 359 T CB 0.055 68.618 68.868 -0.510 0.000 0.884 359 T HN 0.049 nan 8.240 nan 0.000 0.479 360 V N 1.440 121.151 119.914 -0.337 0.000 2.346 360 V HA -0.013 4.109 4.120 0.004 0.000 0.244 360 V C 2.425 178.377 176.094 -0.236 0.000 1.037 360 V CA 1.231 63.398 62.300 -0.222 0.000 1.029 360 V CB -0.647 31.048 31.823 -0.214 0.000 0.663 360 V HN 0.396 nan 8.190 nan 0.000 0.454 361 L N 0.451 121.405 121.223 -0.448 0.000 2.131 361 L HA -0.142 4.200 4.340 0.004 0.000 0.210 361 L C 2.660 179.255 176.870 -0.458 0.000 1.092 361 L CA 1.425 55.799 54.840 -0.776 0.000 0.759 361 L CB -0.738 40.237 42.059 -1.807 0.000 0.903 361 L HN 0.355 nan 8.230 nan 0.000 0.435 362 A N -0.055 122.664 122.820 -0.167 0.000 1.969 362 A HA -0.107 4.215 4.320 0.004 0.000 0.218 362 A C 2.227 179.866 177.584 0.092 0.000 1.169 362 A CA 1.293 53.394 52.037 0.106 0.000 0.635 362 A CB -0.463 18.532 19.000 -0.007 0.000 0.810 362 A HN 0.380 nan 8.150 nan 0.000 0.445 363 L N -1.527 119.727 121.223 0.051 0.000 2.127 363 L HA -0.006 4.336 4.340 0.004 0.000 0.203 363 L C 2.691 179.609 176.870 0.080 0.000 1.080 363 L CA 1.201 56.104 54.840 0.105 0.000 0.768 363 L CB -0.431 41.699 42.059 0.117 0.000 0.924 363 L HN 0.387 nan 8.230 nan 0.000 0.444 364 R N 0.085 120.594 120.500 0.015 0.000 2.189 364 R HA -0.144 4.198 4.340 0.004 0.000 0.223 364 R C 0.812 177.133 176.300 0.035 0.000 1.092 364 R CA 1.489 57.593 56.100 0.006 0.000 0.989 364 R CB 0.137 30.393 30.300 -0.072 0.000 0.876 364 R HN 0.330 nan 8.270 nan 0.000 0.457 365 D N -0.900 119.546 120.400 0.077 0.000 2.479 365 D HA 0.025 4.668 4.640 0.004 0.000 0.221 365 D C 0.021 176.424 176.300 0.172 0.000 1.104 365 D CA 0.079 54.171 54.000 0.153 0.000 0.849 365 D CB 0.607 41.586 40.800 0.298 0.000 1.072 365 D HN 0.010 nan 8.370 nan 0.000 0.502 366 Q N -0.409 119.520 119.800 0.215 0.000 2.494 366 Q HA -0.137 4.205 4.340 0.004 0.000 0.266 366 Q C -0.812 175.382 176.000 0.322 0.000 1.053 366 Q CA 0.499 56.471 55.803 0.281 0.000 1.029 366 Q CB -2.023 26.750 28.738 0.059 0.000 1.423 366 Q HN 0.181 nan 8.270 nan 0.000 0.516 367 V N 0.968 121.063 119.914 0.301 0.000 2.623 367 V HA 0.571 4.693 4.120 0.004 0.000 0.304 367 V C 0.112 176.244 176.094 0.063 0.000 1.054 367 V CA -0.618 61.790 62.300 0.179 0.000 0.882 367 V CB 2.314 34.187 31.823 0.083 0.000 1.002 367 V HN 0.199 nan 8.190 nan 0.000 0.424 368 I N 6.953 127.451 120.570 -0.120 0.000 2.404 368 I HA 0.479 4.651 4.170 0.004 0.000 0.293 368 I C -2.221 173.600 176.117 -0.494 0.000 0.992 368 I CA -2.027 59.070 61.300 -0.338 0.000 1.149 368 I CB 2.536 40.264 38.000 -0.453 0.000 1.315 368 I HN 0.415 nan 8.210 nan 0.000 0.446 369 P HA 0.257 nan 4.420 nan 0.000 0.275 369 P C -2.733 174.130 177.300 -0.728 0.000 1.266 369 P CA -1.596 61.083 63.100 -0.703 0.000 0.793 369 P CB -0.086 31.196 31.700 -0.697 0.000 1.074 370 P HA 0.122 nan 4.420 nan 0.000 0.281 370 P C -0.466 176.890 177.300 0.093 0.000 1.249 370 P CA -0.047 62.965 63.100 -0.146 0.000 0.810 370 P CB 0.186 31.844 31.700 -0.071 0.000 1.008 371 T N 3.044 117.751 114.554 0.255 0.000 2.779 371 T HA 0.131 4.484 4.350 0.004 0.000 0.296 371 T C 1.773 176.566 174.700 0.154 0.000 0.938 371 T CA -0.232 62.050 62.100 0.304 0.000 1.119 371 T CB -0.043 69.003 68.868 0.296 0.000 0.891 371 T HN 0.246 nan 8.240 nan 0.000 0.526 372 L N 2.492 123.789 121.223 0.123 0.000 1.971 372 L HA -0.086 4.256 4.340 0.004 0.000 0.215 372 L C 1.176 178.077 176.870 0.051 0.000 1.072 372 L CA 1.158 56.038 54.840 0.067 0.000 0.758 372 L CB -0.212 41.876 42.059 0.049 0.000 0.889 372 L HN 0.599 nan 8.230 nan 0.000 0.433 373 N N 0.773 119.502 118.700 0.049 0.000 2.621 373 N HA 0.405 5.148 4.740 0.004 0.000 0.237 373 N C -1.301 174.239 175.510 0.050 0.000 0.997 373 N CA -0.121 52.951 53.050 0.037 0.000 0.918 373 N CB 2.064 40.564 38.487 0.022 0.000 1.122 373 N HN -0.040 nan 8.380 nan 0.000 0.510 374 L N 2.653 123.908 121.223 0.054 0.000 2.482 374 L HA 0.334 4.676 4.340 0.004 0.000 0.269 374 L C 0.467 177.367 176.870 0.051 0.000 0.967 374 L CA -0.440 54.440 54.840 0.067 0.000 0.851 374 L CB 1.813 43.930 42.059 0.097 0.000 1.242 374 L HN 0.220 nan 8.230 nan 0.000 0.404 375 V N 1.046 120.988 119.914 0.046 0.000 3.029 375 V HA 0.531 4.653 4.120 0.004 0.000 0.230 375 V C 0.175 176.291 176.094 0.036 0.000 1.254 375 V CA 0.098 62.419 62.300 0.035 0.000 1.276 375 V CB 0.224 32.063 31.823 0.027 0.000 1.080 375 V HN 0.690 nan 8.190 nan 0.000 0.495 376 N N 2.234 120.958 118.700 0.041 0.000 2.569 376 N HA 0.567 5.309 4.740 0.004 0.000 0.254 376 N C -1.026 174.516 175.510 0.053 0.000 1.004 376 N CA -0.273 52.801 53.050 0.039 0.000 0.904 376 N CB 1.639 40.145 38.487 0.032 0.000 1.165 376 N HN 0.466 nan 8.380 nan 0.000 0.513 377 L N 1.729 122.984 121.223 0.054 0.000 2.584 377 L HA 0.087 4.429 4.340 0.004 0.000 0.272 377 L C 0.178 177.085 176.870 0.062 0.000 1.195 377 L CA -0.075 54.805 54.840 0.068 0.000 0.920 377 L CB -0.249 41.833 42.059 0.038 0.000 1.173 377 L HN 0.537 nan 8.230 nan 0.000 0.489 378 D N 7.172 127.624 120.400 0.088 0.000 2.730 378 D HA -0.077 4.565 4.640 0.004 0.000 0.225 378 D C -1.488 174.842 176.300 0.051 0.000 1.107 378 D CA -0.129 53.915 54.000 0.074 0.000 0.837 378 D CB 0.955 41.815 40.800 0.100 0.000 1.171 378 D HN 0.518 nan 8.370 nan 0.000 0.498 379 P HA -0.118 nan 4.420 nan 0.000 0.230 379 P C 0.006 177.320 177.300 0.025 0.000 1.158 379 P CA 1.011 64.127 63.100 0.027 0.000 0.769 379 P CB 0.203 31.917 31.700 0.023 0.000 0.807 380 E N -0.535 119.684 120.200 0.033 0.000 2.472 380 E HA 0.163 4.515 4.350 0.004 0.000 0.196 380 E C 0.721 177.340 176.600 0.032 0.000 1.033 380 E CA -0.061 56.357 56.400 0.029 0.000 0.886 380 E CB 0.174 29.894 29.700 0.034 0.000 0.944 380 E HN 0.324 nan 8.360 nan 0.000 0.492 381 I N 2.242 122.834 120.570 0.038 0.000 2.312 381 I HA 0.130 4.303 4.170 0.004 0.000 0.290 381 I C -0.432 175.678 176.117 -0.012 0.000 1.008 381 I CA -0.619 60.699 61.300 0.029 0.000 1.226 381 I CB 1.048 39.092 38.000 0.073 0.000 1.371 381 I HN -0.157 nan 8.210 nan 0.000 0.468 382 D N 8.819 129.204 120.400 -0.026 0.000 2.493 382 D HA 0.556 5.198 4.640 0.004 0.000 0.235 382 D C -0.993 175.265 176.300 -0.070 0.000 1.117 382 D CA -0.021 53.956 54.000 -0.037 0.000 0.930 382 D CB 0.302 41.091 40.800 -0.019 0.000 1.010 382 D HN 0.332 nan 8.370 nan 0.000 0.514 383 L N 1.511 122.666 121.223 -0.113 0.000 2.466 383 L HA 0.306 4.648 4.340 0.004 0.000 0.258 383 L C -0.670 176.118 176.870 -0.137 0.000 0.973 383 L CA -1.077 53.669 54.840 -0.158 0.000 0.826 383 L CB 2.416 44.284 42.059 -0.319 0.000 1.372 383 L HN -0.011 nan 8.230 nan 0.000 0.409 384 D N 1.954 122.298 120.400 -0.094 0.000 2.494 384 D HA 0.321 4.963 4.640 0.004 0.000 0.217 384 D C -0.803 175.464 176.300 -0.056 0.000 1.153 384 D CA -0.135 53.835 54.000 -0.050 0.000 0.954 384 D CB 0.679 41.474 40.800 -0.008 0.000 1.034 384 D HN 0.105 nan 8.370 nan 0.000 0.518 385 V N 3.612 123.475 119.914 -0.085 0.000 2.461 385 V HA 0.196 4.319 4.120 0.004 0.000 0.275 385 V C 0.757 176.879 176.094 0.046 0.000 1.047 385 V CA -0.998 61.277 62.300 -0.041 0.000 0.955 385 V CB 1.500 33.273 31.823 -0.084 0.000 0.988 385 V HN 0.223 nan 8.190 nan 0.000 0.471 386 V N 4.564 124.533 119.914 0.093 0.000 2.585 386 V HA 0.411 4.533 4.120 0.004 0.000 0.296 386 V C 0.957 177.103 176.094 0.086 0.000 1.035 386 V CA 1.151 63.492 62.300 0.067 0.000 1.084 386 V CB 0.676 32.520 31.823 0.035 0.000 0.953 386 V HN 1.139 nan 8.190 nan 0.000 0.483 387 A N 3.636 126.485 122.820 0.048 0.000 2.167 387 A HA 0.437 4.759 4.320 0.004 0.000 0.184 387 A C 1.696 179.292 177.584 0.020 0.000 1.675 387 A CA 0.734 52.804 52.037 0.055 0.000 1.215 387 A CB -0.268 18.772 19.000 0.066 0.000 1.427 387 A HN 0.815 nan 8.150 nan 0.000 0.457 388 G N -0.130 108.672 108.800 0.004 0.000 2.607 388 G HA2 0.331 4.293 3.960 0.004 0.000 0.215 388 G HA3 0.331 4.293 3.960 0.004 0.000 0.215 388 G C 0.290 175.174 174.900 -0.027 0.000 1.275 388 G CA 0.681 45.777 45.100 -0.007 0.000 0.842 388 G HN 0.320 nan 8.290 nan 0.000 0.555 389 E N 0.212 120.389 120.200 -0.038 0.000 2.343 389 E HA 0.404 4.756 4.350 0.004 0.000 0.270 389 E C -2.648 173.900 176.600 -0.086 0.000 0.895 389 E CA -2.117 54.246 56.400 -0.062 0.000 0.767 389 E CB 1.798 31.469 29.700 -0.049 0.000 1.248 389 E HN -0.053 nan 8.360 nan 0.000 0.440 390 P HA 0.003 nan 4.420 nan 0.000 0.264 390 P C -0.408 176.839 177.300 -0.089 0.000 1.179 390 P CA 0.391 63.392 63.100 -0.165 0.000 0.763 390 P CB 0.454 32.028 31.700 -0.210 0.000 0.806 391 R N 4.706 125.172 120.500 -0.057 0.000 2.287 391 R HA 0.314 4.656 4.340 0.004 0.000 0.316 391 R C -2.304 174.058 176.300 0.103 0.000 1.050 391 R CA -2.011 54.102 56.100 0.022 0.000 0.983 391 R CB 0.780 31.112 30.300 0.054 0.000 1.140 391 R HN 0.379 nan 8.270 nan 0.000 0.528 392 P HA 0.399 nan 4.420 nan 0.000 0.276 392 P C -0.212 177.018 177.300 -0.117 0.000 1.261 392 P CA 0.026 63.141 63.100 0.024 0.000 0.800 392 P CB 1.700 33.392 31.700 -0.013 0.000 1.066 393 G N 0.052 108.653 108.800 -0.332 0.000 2.455 393 G HA2 0.043 4.005 3.960 0.004 0.000 0.223 393 G HA3 0.043 4.005 3.960 0.004 0.000 0.223 393 G C -1.596 172.915 174.900 -0.647 0.000 1.226 393 G CA -0.435 44.372 45.100 -0.488 0.000 0.948 393 G HN 0.654 nan 8.290 nan 0.000 0.478 394 N N 0.330 118.636 118.700 -0.657 0.000 2.476 394 N HA 0.493 5.236 4.740 0.004 0.000 0.257 394 N C -1.638 173.593 175.510 -0.465 0.000 0.970 394 N CA -0.282 52.501 53.050 -0.445 0.000 0.938 394 N CB 0.836 39.189 38.487 -0.222 0.000 1.144 394 N HN 0.448 nan 8.380 nan 0.000 0.500 395 Y N 3.245 123.524 120.300 -0.036 0.000 2.712 395 Y HA 0.348 4.900 4.550 0.003 0.000 0.328 395 Y C 1.512 177.363 175.900 -0.081 0.000 0.995 395 Y CA -0.862 57.223 58.100 -0.025 0.000 1.283 395 Y CB 1.222 39.683 38.460 0.003 0.000 1.092 395 Y HN 0.326 nan 8.280 nan 0.000 0.519 396 R N 1.310 121.789 120.500 -0.034 0.000 2.062 396 R HA -0.059 4.283 4.340 0.004 0.000 0.231 396 R C -0.578 175.398 176.300 -0.540 0.000 1.136 396 R CA 1.354 57.224 56.100 -0.383 0.000 0.948 396 R CB 0.046 30.048 30.300 -0.498 0.000 0.845 396 R HN 0.413 nan 8.270 nan 0.000 0.430 397 Y N -1.856 118.537 120.300 0.156 0.000 2.634 397 Y HA 0.691 5.244 4.550 0.005 0.000 0.340 397 Y C -0.288 175.704 175.900 0.154 0.000 1.058 397 Y CA -1.369 56.816 58.100 0.143 0.000 1.081 397 Y CB 1.978 40.499 38.460 0.103 0.000 1.295 397 Y HN 0.077 nan 8.280 nan 0.000 0.487 398 A N 0.715 123.739 122.820 0.339 0.000 2.599 398 A HA 0.866 5.188 4.320 0.004 0.000 0.290 398 A C -2.006 175.687 177.584 0.181 0.000 1.101 398 A CA -0.635 51.539 52.037 0.229 0.000 0.674 398 A CB 1.443 20.593 19.000 0.249 0.000 1.277 398 A HN 0.616 nan 8.150 nan 0.000 0.419 399 I N 1.190 121.809 120.570 0.082 0.000 2.607 399 I HA 0.299 4.471 4.170 0.004 0.000 0.290 399 I C -0.585 175.530 176.117 -0.004 0.000 1.129 399 I CA -0.408 60.934 61.300 0.071 0.000 1.042 399 I CB 2.274 40.289 38.000 0.026 0.000 1.242 399 I HN 0.831 nan 8.210 nan 0.000 0.421 400 N N 4.609 123.342 118.700 0.055 0.000 2.421 400 N HA 0.346 5.088 4.740 0.004 0.000 0.285 400 N C -1.140 174.291 175.510 -0.132 0.000 1.027 400 N CA -0.545 52.470 53.050 -0.058 0.000 0.918 400 N CB 0.957 39.428 38.487 -0.026 0.000 1.152 400 N HN 0.492 nan 8.380 nan 0.000 0.485 401 N N 1.112 119.663 118.700 -0.248 0.000 2.400 401 N HA 0.307 5.050 4.740 0.004 0.000 0.288 401 N C -1.584 173.480 175.510 -0.743 0.000 1.024 401 N CA -0.261 52.463 53.050 -0.543 0.000 0.894 401 N CB 1.919 40.113 38.487 -0.488 0.000 1.173 401 N HN 0.317 nan 8.380 nan 0.000 0.487 402 S N 1.826 116.876 115.700 -1.083 0.000 2.620 402 S HA 0.419 4.891 4.470 0.004 0.000 0.244 402 S C -1.520 172.486 174.600 -0.989 0.000 1.192 402 S CA -0.522 57.032 58.200 -1.077 0.000 1.148 402 S CB -0.160 62.696 63.200 -0.573 0.000 1.106 402 S HN 0.302 nan 8.310 nan 0.000 0.474 403 F N 1.864 121.363 119.950 -0.752 0.000 2.359 403 F HA 0.540 5.068 4.527 0.003 0.000 0.369 403 F C 0.948 176.687 175.800 -0.101 0.000 1.084 403 F CA -1.211 56.665 58.000 -0.207 0.000 1.096 403 F CB 0.762 39.789 39.000 0.046 0.000 1.335 403 F HN 0.517 nan 8.300 nan 0.000 0.457 404 G N 1.493 110.337 108.800 0.073 0.000 2.537 404 G HA2 0.386 4.348 3.960 0.004 0.000 0.273 404 G HA3 0.386 4.348 3.960 0.004 0.000 0.273 404 G C -0.330 174.695 174.900 0.208 0.000 1.189 404 G CA -0.637 44.509 45.100 0.077 0.000 0.881 404 G HN 0.419 nan 8.290 nan 0.000 0.535 405 F N 0.298 120.389 119.950 0.235 0.000 2.623 405 F HA 0.223 4.752 4.527 0.004 0.000 0.386 405 F C 1.719 177.630 175.800 0.185 0.000 1.068 405 F CA 1.407 59.526 58.000 0.197 0.000 1.265 405 F CB 0.672 39.801 39.000 0.215 0.000 1.026 405 F HN 0.816 nan 8.300 nan 0.000 0.568 406 G N 1.411 110.388 108.800 0.296 0.000 2.194 406 G HA2 -0.010 3.952 3.960 0.004 0.000 0.236 406 G HA3 -0.010 3.952 3.960 0.004 0.000 0.236 406 G C 0.592 175.452 174.900 -0.067 0.000 0.987 406 G CA -0.184 44.974 45.100 0.096 0.000 0.635 406 G HN 1.848 nan 8.290 nan 0.000 0.520 407 G N -0.257 108.552 108.800 0.015 0.000 2.370 407 G HA2 -0.101 3.861 3.960 0.004 0.000 0.268 407 G HA3 -0.101 3.861 3.960 0.004 0.000 0.268 407 G C -0.280 174.513 174.900 -0.179 0.000 1.122 407 G CA 0.442 45.515 45.100 -0.046 0.000 0.963 407 G HN 1.283 nan 8.290 nan 0.000 0.500 408 H N 0.796 119.936 119.070 0.117 0.000 2.581 408 H HA 0.333 4.890 4.556 0.003 0.000 0.308 408 H C -0.071 175.339 175.328 0.137 0.000 1.040 408 H CA -0.580 55.526 56.048 0.097 0.000 1.231 408 H CB 0.919 30.726 29.762 0.074 0.000 1.396 408 H HN 0.327 nan 8.280 nan 0.000 0.467 409 N N 2.826 121.672 118.700 0.244 0.000 2.400 409 N HA 0.326 5.068 4.740 0.004 0.000 0.288 409 N C -0.569 175.099 175.510 0.264 0.000 1.024 409 N CA -0.489 52.772 53.050 0.352 0.000 0.894 409 N CB 2.967 41.568 38.487 0.189 0.000 1.173 409 N HN 0.189 nan 8.380 nan 0.000 0.487 410 V N 0.491 120.544 119.914 0.232 0.000 2.733 410 V HA 0.753 4.875 4.120 0.004 0.000 0.306 410 V C -0.787 175.317 176.094 0.016 0.000 1.084 410 V CA -0.911 61.434 62.300 0.075 0.000 0.905 410 V CB 1.804 33.616 31.823 -0.018 0.000 1.010 410 V HN 0.813 nan 8.190 nan 0.000 0.424 411 A N 6.060 128.899 122.820 0.032 0.000 2.357 411 A HA 0.908 5.230 4.320 0.004 0.000 0.295 411 A C -1.038 176.505 177.584 -0.069 0.000 1.121 411 A CA -0.363 51.674 52.037 -0.001 0.000 0.742 411 A CB 0.831 19.879 19.000 0.079 0.000 1.181 411 A HN 0.747 nan 8.150 nan 0.000 0.454 412 I N 2.085 122.618 120.570 -0.062 0.000 2.433 412 I HA 0.568 4.740 4.170 0.004 0.000 0.292 412 I C 0.572 176.593 176.117 -0.160 0.000 1.001 412 I CA -0.621 60.573 61.300 -0.177 0.000 1.119 412 I CB 2.162 40.101 38.000 -0.102 0.000 1.289 412 I HN 0.684 nan 8.210 nan 0.000 0.438 413 A N 6.686 129.279 122.820 -0.378 0.000 2.276 413 A HA 0.669 4.991 4.320 0.004 0.000 0.300 413 A C -0.962 176.393 177.584 -0.381 0.000 1.235 413 A CA -0.137 51.751 52.037 -0.247 0.000 0.867 413 A CB -0.152 18.695 19.000 -0.254 0.000 1.137 413 A HN 0.569 nan 8.150 nan 0.000 0.527 414 F N 2.563 122.501 119.950 -0.021 0.000 2.325 414 F HA 0.469 4.999 4.527 0.005 0.000 0.369 414 F C 1.162 177.056 175.800 0.158 0.000 1.095 414 F CA -0.278 57.745 58.000 0.039 0.000 1.082 414 F CB 1.713 40.730 39.000 0.028 0.000 1.289 414 F HN 0.691 nan 8.300 nan 0.000 0.462 415 G N 2.695 111.686 108.800 0.318 0.000 2.539 415 G HA2 0.349 4.311 3.960 0.004 0.000 0.258 415 G HA3 0.349 4.311 3.960 0.004 0.000 0.258 415 G C -0.387 174.736 174.900 0.371 0.000 1.202 415 G CA -0.710 44.702 45.100 0.521 0.000 0.851 415 G HN 0.621 nan 8.290 nan 0.000 0.556 416 R N -0.376 120.284 120.500 0.267 0.000 2.649 416 R HA 0.379 4.721 4.340 0.004 0.000 0.270 416 R C -0.841 175.601 176.300 0.236 0.000 1.105 416 R CA -0.484 55.722 56.100 0.176 0.000 1.193 416 R CB 0.454 30.778 30.300 0.040 0.000 1.120 416 R HN 0.528 nan 8.270 nan 0.000 0.561 417 Y N 0.000 120.336 120.300 0.060 0.000 2.660 417 Y HA 0.000 4.552 4.550 0.003 0.000 0.201 417 Y CA 0.000 58.129 58.100 0.048 0.000 1.940 417 Y CB 0.000 38.487 38.460 0.045 0.000 1.050 417 Y HN 0.000 nan 8.280 nan 0.000 0.758