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 2xxl_1_B DATA FIRST_RESID 27 DATA SEQUENCE DYADDcTTPD GDQGQcMPFS ScRTIEERLT EAQKAGQKVP ADYASYLQKA DATA SEQUENCE LcGEFNGVRH FccPSANIQH NSKVMSLFKD ENFDcGNFLS QRVSNGYEVK DATA SEQUENCE LSSRPWMALL RYQQFGESRF LcGGAMISER YILTAAHcVH GLQNDLYEIR DATA SEQUENCE LGEHRISTEE DcRQQGRKKK cAPPVVNVGI EKHLIHEKYD ARHIMHDIAL DATA SEQUENCE LKLNRSVPFQ KHIKPIcLPI TDELKEKAEQ ISTYFVTGWG TTENGSSSDV DATA SEQUENCE LLQANVPLQP RSAcSQAYRR AVPLSQLcVG GGDLQDScKG DSGGPLQAPA DATA SEQUENCE QYLGEYAPKM VEFGIVSQGV VTcGQISLPG LYTNVGEYVQ WITDTMASNG DATA SEQUENCE LLES 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 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 175.731 176.300 -0.948 0.000 2.045 27 D CA 0.000 53.474 54.000 -0.876 0.000 0.868 27 D CB 0.000 40.548 40.800 -0.419 0.000 0.688 28 Y N 1.924 121.462 120.300 -1.269 0.000 2.810 28 Y HA 0.210 4.760 4.550 0.000 0.000 0.332 28 Y C 1.258 177.028 175.900 -0.217 0.000 1.243 28 Y CA 1.225 58.968 58.100 -0.595 0.000 1.537 28 Y CB 0.065 38.314 38.460 -0.351 0.000 1.265 28 Y HN 0.698 nan 8.280 nan 0.000 0.572 29 A N 3.165 125.515 122.820 -0.783 0.000 3.153 29 A HA -0.274 4.046 4.320 0.000 0.000 0.265 29 A C 0.330 177.741 177.584 -0.289 0.000 1.212 29 A CA 0.973 52.630 52.037 -0.633 0.000 1.018 29 A CB -2.479 15.978 19.000 -0.906 0.000 1.130 29 A HN 0.778 nan 8.150 nan 0.000 0.873 30 D N 1.726 121.996 120.400 -0.218 0.000 2.423 30 D HA 0.350 4.990 4.640 0.000 0.000 0.238 30 D C 0.284 176.542 176.300 -0.070 0.000 1.142 30 D CA 0.116 54.042 54.000 -0.124 0.000 0.884 30 D CB 0.334 41.074 40.800 -0.101 0.000 1.199 30 D HN 0.389 nan 8.370 nan 0.000 0.438 31 D N 0.222 120.594 120.400 -0.047 0.000 2.443 31 D HA 0.155 4.795 4.640 0.000 0.000 0.239 31 D C 0.326 176.623 176.300 -0.005 0.000 1.136 31 D CA 0.151 54.138 54.000 -0.021 0.000 0.879 31 D CB 0.468 41.258 40.800 -0.016 0.000 1.195 31 D HN 0.416 nan 8.370 nan 0.000 0.443 32 c N -0.721 117.884 118.600 0.010 0.000 3.332 32 c HA 0.745 5.315 4.570 0.000 0.000 0.329 32 c C -0.547 173.558 174.090 0.025 0.000 1.434 32 c CA -0.793 55.547 56.329 0.020 0.000 1.314 32 c CB 1.430 43.958 42.510 0.031 0.000 1.664 32 c HN 0.474 nan 8.230 nan 0.000 0.457 33 T N 1.973 116.542 114.554 0.025 0.000 2.812 33 T HA 0.634 4.984 4.350 0.000 0.000 0.282 33 T C 0.322 175.039 174.700 0.029 0.000 0.990 33 T CA 0.025 62.142 62.100 0.030 0.000 0.960 33 T CB 1.378 70.261 68.868 0.024 0.000 0.948 33 T HN 1.159 nan 8.240 nan 0.000 0.438 34 T N 1.419 116.002 114.554 0.048 0.000 2.802 34 T HA 0.187 4.537 4.350 0.000 0.000 0.305 34 T C -1.666 173.049 174.700 0.025 0.000 1.053 34 T CA -1.299 60.828 62.100 0.044 0.000 1.058 34 T CB 0.239 69.186 68.868 0.132 0.000 0.988 34 T HN 0.161 nan 8.240 nan 0.000 0.539 35 P HA -0.063 nan 4.420 nan 0.000 0.219 35 P C 0.851 178.220 177.300 0.114 0.000 1.146 35 P CA 1.028 64.120 63.100 -0.015 0.000 0.808 35 P CB -0.069 31.535 31.700 -0.161 0.000 0.779 36 D N -1.978 118.555 120.400 0.220 0.000 2.336 36 D HA 0.139 4.779 4.640 0.000 0.000 0.228 36 D C 1.182 177.549 176.300 0.112 0.000 1.120 36 D CA 0.113 54.221 54.000 0.181 0.000 0.839 36 D CB -0.952 39.973 40.800 0.208 0.000 0.932 36 D HN 0.177 nan 8.370 nan 0.000 0.509 37 G N 0.478 109.332 108.800 0.090 0.000 2.143 37 G HA2 -0.235 3.725 3.960 0.000 0.000 0.248 37 G HA3 -0.235 3.725 3.960 0.000 0.000 0.248 37 G C -0.530 174.405 174.900 0.059 0.000 0.991 37 G CA -0.049 45.089 45.100 0.062 0.000 0.689 37 G HN 0.400 nan 8.290 nan 0.000 0.522 38 D N 0.558 121.002 120.400 0.073 0.000 2.210 38 D HA 0.477 5.117 4.640 0.000 0.000 0.249 38 D C 0.608 176.941 176.300 0.055 0.000 1.062 38 D CA -0.197 53.841 54.000 0.064 0.000 0.891 38 D CB 0.926 41.773 40.800 0.078 0.000 1.186 38 D HN 0.084 nan 8.370 nan 0.000 0.432 39 Q N 0.705 120.530 119.800 0.042 0.000 2.327 39 Q HA 0.606 4.946 4.340 0.000 0.000 0.254 39 Q C 0.530 176.554 176.000 0.039 0.000 0.952 39 Q CA -0.254 55.570 55.803 0.035 0.000 0.884 39 Q CB 1.464 30.216 28.738 0.024 0.000 1.224 39 Q HN 0.653 nan 8.270 nan 0.000 0.422 40 G N 0.874 109.697 108.800 0.037 0.000 2.664 40 G HA2 0.513 4.473 3.960 0.000 0.000 0.303 40 G HA3 0.513 4.473 3.960 0.000 0.000 0.303 40 G C -1.424 173.494 174.900 0.029 0.000 1.243 40 G CA -0.549 44.576 45.100 0.041 0.000 0.826 40 G HN 0.439 nan 8.290 nan 0.000 0.498 41 Q N -1.414 118.407 119.800 0.036 0.000 2.421 41 Q HA 0.443 4.783 4.340 0.000 0.000 0.280 41 Q C -1.213 174.819 176.000 0.052 0.000 1.085 41 Q CA -0.711 55.099 55.803 0.012 0.000 0.807 41 Q CB 3.077 31.797 28.738 -0.031 0.000 1.405 41 Q HN 0.608 nan 8.270 nan 0.000 0.419 42 c N 3.976 122.602 118.600 0.043 0.000 2.492 42 c HA 0.392 4.962 4.570 0.000 0.000 0.362 42 c C -0.597 173.652 174.090 0.264 0.000 1.207 42 c CA -0.043 56.374 56.329 0.147 0.000 1.626 42 c CB -1.396 41.188 42.510 0.123 0.000 2.239 42 c HN 0.546 nan 8.230 nan 0.000 0.547 43 M N 7.316 127.101 119.600 0.309 0.000 2.644 43 M HA 0.524 5.004 4.480 0.000 0.000 0.304 43 M C -2.352 174.015 176.300 0.112 0.000 1.215 43 M CA -2.923 52.561 55.300 0.306 0.000 0.871 43 M CB 1.351 34.064 32.600 0.189 0.000 1.740 43 M HN 0.230 nan 8.290 nan 0.000 0.464 44 P HA 0.101 nan 4.420 nan 0.000 0.272 44 P C 0.749 178.083 177.300 0.056 0.000 1.230 44 P CA -0.224 62.720 63.100 -0.259 0.000 0.788 44 P CB 0.143 31.657 31.700 -0.310 0.000 0.949 45 F N 0.211 120.261 119.950 0.167 0.000 2.202 45 F HA -0.152 4.375 4.527 0.000 0.000 0.301 45 F C 1.613 177.447 175.800 0.056 0.000 1.082 45 F CA 1.602 59.680 58.000 0.130 0.000 1.313 45 F CB -1.710 37.329 39.000 0.065 0.000 1.024 45 F HN 0.096 nan 8.300 nan 0.000 0.495 46 S N -0.405 114.714 115.700 -0.967 0.000 2.507 46 S HA -0.085 4.385 4.470 0.000 0.000 0.235 46 S C 1.578 176.017 174.600 -0.268 0.000 0.988 46 S CA 1.093 58.846 58.200 -0.744 0.000 0.944 46 S CB -0.450 62.318 63.200 -0.720 0.000 0.762 46 S HN 0.463 nan 8.310 nan 0.000 0.526 47 S N 0.035 115.654 115.700 -0.135 0.000 2.575 47 S HA 0.253 4.723 4.470 0.000 0.000 0.237 47 S C -0.097 174.528 174.600 0.041 0.000 0.975 47 S CA -0.362 57.832 58.200 -0.010 0.000 0.960 47 S CB 0.237 63.468 63.200 0.052 0.000 0.822 47 S HN 0.508 nan 8.310 nan 0.000 0.472 48 c N 2.254 120.883 118.600 0.049 0.000 2.407 48 c HA 0.447 5.017 4.570 0.000 0.000 0.328 48 c C 1.685 175.823 174.090 0.080 0.000 1.137 48 c CA -0.870 55.513 56.329 0.090 0.000 1.390 48 c CB -0.067 42.530 42.510 0.145 0.000 1.989 48 c HN 0.647 nan 8.230 nan 0.000 0.432 49 R N 1.997 122.528 120.500 0.052 0.000 2.096 49 R HA -0.151 4.189 4.340 0.000 0.000 0.240 49 R C 2.025 178.356 176.300 0.051 0.000 1.139 49 R CA 2.807 58.931 56.100 0.039 0.000 0.952 49 R CB -0.214 30.097 30.300 0.017 0.000 0.854 49 R HN 0.929 nan 8.270 nan 0.000 0.436 50 T N -0.911 113.679 114.554 0.060 0.000 2.746 50 T HA -0.099 4.251 4.350 0.000 0.000 0.267 50 T C 2.077 176.825 174.700 0.080 0.000 1.039 50 T CA 1.451 63.582 62.100 0.053 0.000 1.142 50 T CB -0.402 68.501 68.868 0.059 0.000 0.866 50 T HN 0.230 nan 8.240 nan 0.000 0.444 51 I N 1.494 122.149 120.570 0.143 0.000 2.202 51 I HA -0.106 4.064 4.170 0.000 0.000 0.242 51 I C 2.983 179.198 176.117 0.164 0.000 1.091 51 I CA 1.731 63.139 61.300 0.180 0.000 1.368 51 I CB -0.473 37.601 38.000 0.124 0.000 1.058 51 I HN 0.359 nan 8.210 nan 0.000 0.410 52 E N 1.322 121.659 120.200 0.229 0.000 2.085 52 E HA -0.274 4.076 4.350 0.000 0.000 0.194 52 E C 2.012 178.684 176.600 0.120 0.000 0.994 52 E CA 1.545 58.112 56.400 0.279 0.000 0.801 52 E CB 0.042 29.873 29.700 0.219 0.000 0.743 52 E HN 0.479 nan 8.360 nan 0.000 0.453 53 E N -0.141 120.090 120.200 0.053 0.000 2.058 53 E HA -0.203 4.147 4.350 0.000 0.000 0.194 53 E C 2.314 178.881 176.600 -0.056 0.000 0.997 53 E CA 0.911 57.308 56.400 -0.005 0.000 0.801 53 E CB 0.011 29.695 29.700 -0.027 0.000 0.746 53 E HN 0.136 nan 8.360 nan 0.000 0.450 54 R N 0.492 120.927 120.500 -0.108 0.000 2.081 54 R HA -0.109 4.231 4.340 0.000 0.000 0.235 54 R C 2.480 178.691 176.300 -0.147 0.000 1.131 54 R CA 0.953 56.908 56.100 -0.242 0.000 0.960 54 R CB -0.811 29.129 30.300 -0.599 0.000 0.856 54 R HN 0.275 nan 8.270 nan 0.000 0.436 55 L N 0.061 121.243 121.223 -0.068 0.000 2.056 55 L HA -0.135 4.205 4.340 0.000 0.000 0.207 55 L C 2.365 179.200 176.870 -0.059 0.000 1.078 55 L CA 1.503 56.292 54.840 -0.085 0.000 0.749 55 L CB -0.732 41.203 42.059 -0.206 0.000 0.901 55 L HN 0.176 nan 8.230 nan 0.000 0.433 56 T N -0.812 113.732 114.554 -0.017 0.000 2.777 56 T HA -0.165 4.185 4.350 0.000 0.000 0.266 56 T C 1.742 176.427 174.700 -0.024 0.000 1.040 56 T CA 1.251 63.350 62.100 -0.001 0.000 1.141 56 T CB -0.128 68.758 68.868 0.029 0.000 0.868 56 T HN 0.363 nan 8.240 nan 0.000 0.444 57 E N 1.080 121.253 120.200 -0.044 0.000 2.077 57 E HA -0.069 4.281 4.350 0.000 0.000 0.193 57 E C 2.529 179.097 176.600 -0.053 0.000 0.989 57 E CA 1.038 57.406 56.400 -0.053 0.000 0.800 57 E CB -0.213 29.441 29.700 -0.076 0.000 0.746 57 E HN 0.472 nan 8.360 nan 0.000 0.452 58 A N 1.213 123.995 122.820 -0.064 0.000 1.873 58 A HA -0.268 4.052 4.320 0.000 0.000 0.215 58 A C 2.166 179.728 177.584 -0.037 0.000 1.186 58 A CA 1.603 53.609 52.037 -0.052 0.000 0.616 58 A CB -0.585 18.383 19.000 -0.053 0.000 0.823 58 A HN 0.233 nan 8.150 nan 0.000 0.442 59 Q N -0.078 119.701 119.800 -0.035 0.000 2.077 59 Q HA -0.251 4.089 4.340 0.000 0.000 0.206 59 Q C 1.972 177.962 176.000 -0.018 0.000 0.989 59 Q CA 2.095 57.883 55.803 -0.025 0.000 0.853 59 Q CB -0.184 28.542 28.738 -0.021 0.000 0.907 59 Q HN 0.672 nan 8.270 nan 0.000 0.418 60 K N -0.394 119.996 120.400 -0.018 0.000 2.147 60 K HA -0.105 4.215 4.320 0.000 0.000 0.205 60 K C 1.750 178.340 176.600 -0.016 0.000 1.049 60 K CA 1.059 57.337 56.287 -0.014 0.000 0.936 60 K CB -0.061 32.430 32.500 -0.014 0.000 0.722 60 K HN 0.234 nan 8.250 nan 0.000 0.446 61 A N 0.425 123.232 122.820 -0.021 0.000 2.238 61 A HA 0.176 4.496 4.320 0.000 0.000 0.208 61 A C 1.168 178.741 177.584 -0.017 0.000 1.177 61 A CA 0.677 52.702 52.037 -0.021 0.000 0.804 61 A CB -0.320 18.665 19.000 -0.026 0.000 0.823 61 A HN 0.389 nan 8.150 nan 0.000 0.482 62 G N -0.945 107.845 108.800 -0.016 0.000 2.246 62 G HA2 -0.196 3.764 3.960 0.000 0.000 0.273 62 G HA3 -0.196 3.764 3.960 0.000 0.000 0.273 62 G C -0.127 174.765 174.900 -0.014 0.000 1.055 62 G CA 0.561 45.653 45.100 -0.013 0.000 0.851 62 G HN 0.530 nan 8.290 nan 0.000 0.500 63 Q N -1.056 118.734 119.800 -0.018 0.000 2.544 63 Q HA 0.502 4.842 4.340 0.000 0.000 0.291 63 Q C 0.157 176.145 176.000 -0.019 0.000 1.068 63 Q CA -0.756 55.037 55.803 -0.017 0.000 0.785 63 Q CB 1.421 30.148 28.738 -0.019 0.000 1.481 63 Q HN 0.378 nan 8.270 nan 0.000 0.430 64 K N 0.347 120.739 120.400 -0.014 0.000 2.090 64 K HA 0.408 4.728 4.320 0.000 0.000 0.250 64 K C 0.213 176.810 176.600 -0.005 0.000 1.004 64 K CA -0.559 55.721 56.287 -0.011 0.000 0.919 64 K CB 0.987 33.485 32.500 -0.004 0.000 1.045 64 K HN 0.475 nan 8.250 nan 0.000 0.471 65 V N -0.342 119.579 119.914 0.012 0.000 2.963 65 V HA 0.139 4.260 4.120 0.000 0.000 0.306 65 V C -2.203 173.925 176.094 0.057 0.000 1.077 65 V CA -1.512 60.814 62.300 0.043 0.000 1.124 65 V CB -0.444 31.479 31.823 0.167 0.000 0.987 65 V HN 0.621 nan 8.190 nan 0.000 0.487 66 P HA 0.265 nan 4.420 nan 0.000 0.270 66 P C 0.754 178.103 177.300 0.081 0.000 1.223 66 P CA 0.376 63.508 63.100 0.053 0.000 0.785 66 P CB 0.569 32.291 31.700 0.038 0.000 0.923 67 A N 2.422 125.273 122.820 0.052 0.000 1.917 67 A HA -0.247 4.073 4.320 0.000 0.000 0.219 67 A C 1.765 179.384 177.584 0.059 0.000 1.182 67 A CA 2.246 54.309 52.037 0.045 0.000 0.633 67 A CB -1.398 17.619 19.000 0.029 0.000 0.819 67 A HN 0.704 nan 8.150 nan 0.000 0.448 68 D N -1.944 118.498 120.400 0.071 0.000 2.178 68 D HA -0.213 4.427 4.640 0.000 0.000 0.202 68 D C 1.725 178.103 176.300 0.131 0.000 0.974 68 D CA 1.514 55.564 54.000 0.084 0.000 0.841 68 D CB -0.715 40.127 40.800 0.070 0.000 0.953 68 D HN 0.528 nan 8.370 nan 0.000 0.478 69 Y N 1.366 121.678 120.300 0.021 0.000 2.263 69 Y HA 0.157 4.707 4.550 0.000 0.000 0.292 69 Y C 2.641 178.585 175.900 0.073 0.000 1.130 69 Y CA 1.309 59.429 58.100 0.034 0.000 1.179 69 Y CB -0.469 37.972 38.460 -0.030 0.000 0.998 69 Y HN 0.052 nan 8.280 nan 0.000 0.532 70 A N -1.106 121.723 122.820 0.015 0.000 1.940 70 A HA -0.220 4.100 4.320 0.000 0.000 0.219 70 A C 2.508 180.057 177.584 -0.058 0.000 1.176 70 A CA 1.993 54.000 52.037 -0.050 0.000 0.631 70 A CB -1.333 17.670 19.000 0.006 0.000 0.814 70 A HN 0.475 nan 8.150 nan 0.000 0.446 71 S N -1.966 113.729 115.700 -0.008 0.000 2.368 71 S HA -0.202 4.268 4.470 0.000 0.000 0.224 71 S C 1.892 176.489 174.600 -0.006 0.000 1.029 71 S CA 1.576 59.779 58.200 0.004 0.000 0.988 71 S CB -0.561 62.657 63.200 0.031 0.000 0.838 71 S HN 0.674 nan 8.310 nan 0.000 0.462 72 Y N 1.854 122.070 120.300 -0.140 0.000 2.145 72 Y HA -0.052 4.498 4.550 0.000 0.000 0.286 72 Y C 1.926 177.707 175.900 -0.198 0.000 1.145 72 Y CA 1.827 59.830 58.100 -0.162 0.000 1.148 72 Y CB -0.397 37.947 38.460 -0.193 0.000 0.981 72 Y HN 0.249 nan 8.280 nan 0.000 0.507 73 L N -0.033 121.019 121.223 -0.284 0.000 2.083 73 L HA -0.220 4.120 4.340 0.000 0.000 0.209 73 L C 2.524 179.403 176.870 0.014 0.000 1.083 73 L CA 1.604 56.293 54.840 -0.253 0.000 0.752 73 L CB -0.598 41.227 42.059 -0.390 0.000 0.899 73 L HN 0.267 nan 8.230 nan 0.000 0.433 74 Q N 0.763 120.549 119.800 -0.022 0.000 2.124 74 Q HA -0.197 4.143 4.340 0.000 0.000 0.202 74 Q C 2.063 178.041 176.000 -0.035 0.000 0.977 74 Q CA 1.709 57.516 55.803 0.007 0.000 0.850 74 Q CB 0.016 28.749 28.738 -0.009 0.000 0.901 74 Q HN 0.308 nan 8.270 nan 0.000 0.429 75 K N -0.735 119.605 120.400 -0.100 0.000 2.103 75 K HA 0.018 4.338 4.320 0.000 0.000 0.204 75 K C 1.895 178.406 176.600 -0.148 0.000 1.052 75 K CA 0.957 57.170 56.287 -0.123 0.000 0.945 75 K CB -0.096 32.317 32.500 -0.145 0.000 0.722 75 K HN 0.250 nan 8.250 nan 0.000 0.443 76 A N 1.300 123.992 122.820 -0.213 0.000 2.067 76 A HA -0.023 4.297 4.320 0.000 0.000 0.217 76 A C 0.887 178.508 177.584 0.062 0.000 1.156 76 A CA 0.036 51.995 52.037 -0.129 0.000 0.683 76 A CB -0.233 18.630 19.000 -0.230 0.000 0.808 76 A HN 0.213 nan 8.150 nan 0.000 0.455 77 L N 0.963 122.222 121.223 0.060 0.000 2.601 77 L HA -0.001 4.339 4.340 0.000 0.000 0.277 77 L C 0.932 177.734 176.870 -0.114 0.000 1.219 77 L CA 0.561 55.313 54.840 -0.146 0.000 0.915 77 L CB 0.582 42.550 42.059 -0.152 0.000 1.160 77 L HN 0.442 nan 8.230 nan 0.000 0.494 78 c N 2.545 121.074 118.600 -0.119 0.000 3.255 78 c HA 0.872 5.442 4.570 0.000 0.000 0.282 78 c C 0.713 174.803 174.090 0.001 0.000 1.441 78 c CA -0.171 56.157 56.329 -0.002 0.000 1.785 78 c CB -1.304 41.258 42.510 0.085 0.000 2.583 78 c HN 1.274 nan 8.230 nan 0.000 0.615 79 G N 0.456 109.127 108.800 -0.214 0.000 2.353 79 G HA2 0.266 4.226 3.960 0.000 0.000 0.424 79 G HA3 0.266 4.226 3.960 0.000 0.000 0.424 79 G C -1.846 172.582 174.900 -0.786 0.000 1.320 79 G CA -0.491 44.294 45.100 -0.526 0.000 0.995 79 G HN 0.431 nan 8.290 nan 0.000 0.580 80 E N -0.324 119.281 120.200 -0.993 0.000 2.182 80 E HA 0.639 4.989 4.350 0.000 0.000 0.258 80 E C -1.363 174.726 176.600 -0.853 0.000 0.879 80 E CA -0.697 55.308 56.400 -0.658 0.000 0.754 80 E CB 0.776 30.286 29.700 -0.316 0.000 1.162 80 E HN 0.332 nan 8.360 nan 0.000 0.419 81 F N 3.498 123.427 119.950 -0.035 0.000 2.477 81 F HA 0.308 4.835 4.527 0.000 0.000 0.335 81 F C 0.678 176.485 175.800 0.011 0.000 1.130 81 F CA -1.256 56.694 58.000 -0.084 0.000 0.948 81 F CB 1.356 40.190 39.000 -0.277 0.000 1.154 81 F HN 0.490 nan 8.300 nan 0.000 0.439 82 N N 2.264 121.047 118.700 0.138 0.000 2.727 82 N HA -0.196 4.544 4.740 0.000 0.000 0.249 82 N C 0.992 176.536 175.510 0.057 0.000 1.048 82 N CA 1.257 54.354 53.050 0.079 0.000 0.714 82 N CB -0.941 37.581 38.487 0.058 0.000 0.959 82 N HN 1.246 nan 8.380 nan 0.000 0.544 83 G N -2.698 106.123 108.800 0.035 0.000 2.168 83 G HA2 -0.267 3.693 3.960 0.000 0.000 0.263 83 G HA3 -0.267 3.693 3.960 0.000 0.000 0.263 83 G C -0.020 174.901 174.900 0.034 0.000 0.977 83 G CA 0.452 45.563 45.100 0.018 0.000 0.659 83 G HN 0.803 nan 8.290 nan 0.000 0.533 84 V N 1.006 120.968 119.914 0.079 0.000 2.417 84 V HA 0.488 4.608 4.120 0.000 0.000 0.291 84 V C 0.910 177.087 176.094 0.138 0.000 1.024 84 V CA -1.024 61.337 62.300 0.101 0.000 0.861 84 V CB 1.615 33.495 31.823 0.094 0.000 0.985 84 V HN 0.362 nan 8.190 nan 0.000 0.436 85 R N 3.567 124.092 120.500 0.041 0.000 2.491 85 R HA 0.342 4.682 4.340 0.000 0.000 0.283 85 R C -0.427 175.769 176.300 -0.175 0.000 1.072 85 R CA -0.179 55.853 56.100 -0.114 0.000 1.048 85 R CB 0.364 30.566 30.300 -0.164 0.000 0.983 85 R HN 0.711 nan 8.270 nan 0.000 0.450 86 H N 2.661 121.492 119.070 -0.398 0.000 2.524 86 H HA 0.352 4.908 4.556 0.000 0.000 0.353 86 H C -0.785 174.247 175.328 -0.494 0.000 1.136 86 H CA -0.488 55.454 56.048 -0.176 0.000 1.193 86 H CB 1.513 31.384 29.762 0.181 0.000 1.558 86 H HN 0.332 nan 8.280 nan 0.000 0.515 87 F N -0.038 120.026 119.950 0.190 0.000 2.588 87 F HA 0.201 4.728 4.527 0.000 0.000 0.314 87 F C 0.217 176.080 175.800 0.105 0.000 1.069 87 F CA -0.826 57.238 58.000 0.106 0.000 0.931 87 F CB 1.185 40.229 39.000 0.073 0.000 1.260 87 F HN 0.412 nan 8.300 nan 0.000 0.465 88 c N 2.713 121.446 118.600 0.223 0.000 2.627 88 c HA 0.417 4.987 4.570 0.000 0.000 0.404 88 c C 0.227 174.419 174.090 0.169 0.000 1.340 88 c CA -0.580 55.839 56.329 0.150 0.000 1.758 88 c CB -1.500 41.058 42.510 0.080 0.000 2.501 88 c HN 0.847 nan 8.230 nan 0.000 0.588 89 c N 9.502 128.195 118.600 0.155 0.000 2.351 89 c HA 0.610 5.180 4.570 0.000 0.000 0.326 89 c C -2.433 171.722 174.090 0.108 0.000 1.272 89 c CA -1.788 54.629 56.329 0.147 0.000 1.650 89 c CB 0.791 43.388 42.510 0.145 0.000 2.257 89 c HN 0.814 nan 8.230 nan 0.000 0.505 90 P HA 0.078 nan 4.420 nan 0.000 0.265 90 P C 0.645 177.980 177.300 0.059 0.000 1.193 90 P CA 0.560 63.708 63.100 0.079 0.000 0.765 90 P CB 0.691 32.440 31.700 0.081 0.000 0.823 91 S N 3.316 119.043 115.700 0.045 0.000 2.381 91 S HA -0.290 4.180 4.470 0.000 0.000 0.230 91 S C 1.885 176.501 174.600 0.027 0.000 1.052 91 S CA 2.028 60.247 58.200 0.033 0.000 1.068 91 S CB -0.907 62.307 63.200 0.023 0.000 0.918 91 S HN 0.657 nan 8.310 nan 0.000 0.448 92 A N 1.432 124.268 122.820 0.025 0.000 2.168 92 A HA -0.010 4.310 4.320 0.000 0.000 0.215 92 A C 1.583 179.176 177.584 0.016 0.000 1.152 92 A CA 0.998 53.045 52.037 0.016 0.000 0.716 92 A CB -0.286 18.723 19.000 0.015 0.000 0.794 92 A HN 0.456 nan 8.150 nan 0.000 0.465 93 N N -0.411 118.307 118.700 0.030 0.000 2.299 93 N HA 0.177 4.917 4.740 0.000 0.000 0.187 93 N C 0.130 175.661 175.510 0.035 0.000 1.099 93 N CA 0.013 53.083 53.050 0.033 0.000 0.867 93 N CB 0.001 38.520 38.487 0.053 0.000 0.974 93 N HN 0.462 nan 8.380 nan 0.000 0.477 94 I N 2.162 122.754 120.570 0.036 0.000 2.683 94 I HA -0.084 4.086 4.170 0.000 0.000 0.286 94 I C 0.626 176.749 176.117 0.010 0.000 1.175 94 I CA 0.240 61.565 61.300 0.042 0.000 1.429 94 I CB 0.321 38.352 38.000 0.051 0.000 1.371 94 I HN 0.145 nan 8.210 nan 0.000 0.569 95 Q N 5.097 124.906 119.800 0.016 0.000 2.451 95 Q HA 0.453 4.793 4.340 0.000 0.000 0.281 95 Q C -1.056 174.972 176.000 0.047 0.000 1.099 95 Q CA -1.112 54.671 55.803 -0.034 0.000 0.806 95 Q CB 1.558 30.277 28.738 -0.031 0.000 1.419 95 Q HN 0.431 nan 8.270 nan 0.000 0.427 96 H N 1.439 120.524 119.070 0.025 0.000 2.972 96 H HA 0.025 4.581 4.556 0.000 0.000 0.343 96 H C 0.036 175.345 175.328 -0.032 0.000 1.054 96 H CA 0.050 56.112 56.048 0.023 0.000 1.412 96 H CB 0.435 30.227 29.762 0.050 0.000 1.385 96 H HN 0.590 nan 8.280 nan 0.000 0.600 97 N N 1.530 120.266 118.700 0.061 0.000 2.386 97 N HA -0.124 4.616 4.740 0.000 0.000 0.273 97 N C 0.996 176.437 175.510 -0.115 0.000 1.331 97 N CA 0.563 53.567 53.050 -0.077 0.000 0.891 97 N CB 0.533 38.934 38.487 -0.143 0.000 1.139 97 N HN 0.669 nan 8.380 nan 0.000 0.487 98 S N 3.883 119.504 115.700 -0.132 0.000 2.419 98 S HA -0.138 4.332 4.470 0.000 0.000 0.235 98 S C 1.377 175.884 174.600 -0.154 0.000 1.019 98 S CA 0.921 59.049 58.200 -0.120 0.000 0.982 98 S CB -0.000 63.137 63.200 -0.105 0.000 0.789 98 S HN 0.614 nan 8.310 nan 0.000 0.490 99 K N 0.387 120.671 120.400 -0.194 0.000 2.283 99 K HA 0.080 4.400 4.320 0.000 0.000 0.202 99 K C 1.671 178.120 176.600 -0.251 0.000 1.048 99 K CA 1.173 57.345 56.287 -0.193 0.000 0.948 99 K CB -0.121 32.265 32.500 -0.189 0.000 0.742 99 K HN 0.342 nan 8.250 nan 0.000 0.458 100 V N 0.371 120.090 119.914 -0.325 0.000 2.922 100 V HA -0.047 4.073 4.120 0.000 0.000 0.242 100 V C 1.907 177.622 176.094 -0.631 0.000 1.094 100 V CA 0.588 62.560 62.300 -0.547 0.000 1.106 100 V CB -0.020 31.444 31.823 -0.598 0.000 0.799 100 V HN 0.241 nan 8.190 nan 0.000 0.474 101 M N 1.275 120.680 119.600 -0.324 0.000 2.279 101 M HA -0.106 4.374 4.480 0.000 0.000 0.264 101 M C 2.482 178.704 176.300 -0.129 0.000 1.062 101 M CA 1.948 57.163 55.300 -0.143 0.000 1.099 101 M CB -1.287 31.310 32.600 -0.005 0.000 1.394 101 M HN 0.620 nan 8.290 nan 0.000 0.426 102 S N 0.469 116.072 115.700 -0.162 0.000 2.399 102 S HA -0.128 4.342 4.470 0.000 0.000 0.231 102 S C 1.865 176.386 174.600 -0.133 0.000 1.022 102 S CA 0.935 59.069 58.200 -0.109 0.000 0.983 102 S CB -0.764 62.380 63.200 -0.094 0.000 0.803 102 S HN 0.424 nan 8.310 nan 0.000 0.480 103 L N 0.477 121.535 121.223 -0.276 0.000 2.007 103 L HA 0.224 4.564 4.340 0.000 0.000 0.205 103 L C 2.054 178.673 176.870 -0.417 0.000 1.073 103 L CA 1.647 56.270 54.840 -0.362 0.000 0.744 103 L CB -0.960 40.780 42.059 -0.532 0.000 0.898 103 L HN 0.187 nan 8.230 nan 0.000 0.435 104 F N 0.589 120.250 119.950 -0.482 0.000 2.202 104 F HA -0.146 4.381 4.527 -0.000 0.000 0.301 104 F C 2.256 178.100 175.800 0.074 0.000 1.082 104 F CA 1.171 58.990 58.000 -0.302 0.000 1.313 104 F CB -1.011 37.944 39.000 -0.074 0.000 1.024 104 F HN 0.190 nan 8.300 nan 0.000 0.495 105 K N -0.422 120.088 120.400 0.183 0.000 2.404 105 K HA -0.015 4.305 4.320 0.000 0.000 0.194 105 K C 0.440 177.130 176.600 0.151 0.000 1.023 105 K CA -0.119 56.252 56.287 0.141 0.000 1.094 105 K CB 0.064 32.599 32.500 0.059 0.000 0.841 105 K HN 0.028 nan 8.250 nan 0.000 0.523 106 D N 2.462 122.959 120.400 0.162 0.000 2.458 106 D HA -0.088 4.552 4.640 0.000 0.000 0.243 106 D C 0.887 177.327 176.300 0.233 0.000 1.146 106 D CA 0.309 54.411 54.000 0.169 0.000 0.877 106 D CB 0.989 41.887 40.800 0.163 0.000 1.176 106 D HN 0.335 nan 8.370 nan 0.000 0.461 107 E N 2.905 123.206 120.200 0.169 0.000 2.267 107 E HA -0.213 4.137 4.350 0.000 0.000 0.197 107 E C 0.498 177.209 176.600 0.184 0.000 0.998 107 E CA 0.908 57.407 56.400 0.165 0.000 0.830 107 E CB 0.005 29.774 29.700 0.114 0.000 0.751 107 E HN 0.317 nan 8.360 nan 0.000 0.491 108 N N 0.088 118.908 118.700 0.200 0.000 2.280 108 N HA 0.021 4.761 4.740 0.000 0.000 0.192 108 N C -0.715 174.967 175.510 0.287 0.000 1.109 108 N CA 0.009 53.179 53.050 0.200 0.000 0.855 108 N CB 0.115 38.697 38.487 0.158 0.000 0.974 108 N HN 0.138 nan 8.380 nan 0.000 0.482 109 F N 2.549 122.612 119.950 0.188 0.000 2.468 109 F HA 0.087 4.614 4.527 0.000 0.000 0.356 109 F C 0.447 176.356 175.800 0.183 0.000 1.167 109 F CA -1.248 56.898 58.000 0.242 0.000 1.135 109 F CB 0.179 39.342 39.000 0.272 0.000 1.197 109 F HN -0.192 nan 8.300 nan 0.000 0.569 110 D N 6.200 126.510 120.400 -0.150 0.000 2.608 110 D HA 0.086 4.726 4.640 0.000 0.000 0.224 110 D C -0.292 175.717 176.300 -0.485 0.000 1.123 110 D CA -0.092 53.786 54.000 -0.204 0.000 1.030 110 D CB -0.462 40.313 40.800 -0.042 0.000 1.093 110 D HN 0.479 nan 8.370 nan 0.000 0.497 111 c N -0.166 118.074 118.600 -0.600 0.000 2.364 111 c HA 0.856 5.426 4.570 0.000 0.000 0.356 111 c C 1.716 175.549 174.090 -0.428 0.000 1.201 111 c CA -0.001 55.946 56.329 -0.637 0.000 2.227 111 c CB 0.578 42.648 42.510 -0.733 0.000 2.387 111 c HN 0.664 nan 8.230 nan 0.000 0.546 112 G N 2.622 111.156 108.800 -0.442 0.000 2.233 112 G HA2 -0.274 3.686 3.960 0.000 0.000 0.270 112 G HA3 -0.274 3.686 3.960 0.000 0.000 0.270 112 G C 0.124 175.089 174.900 0.107 0.000 1.011 112 G CA 0.621 45.447 45.100 -0.458 0.000 0.762 112 G HN 1.150 nan 8.290 nan 0.000 0.511 113 N N 0.248 119.081 118.700 0.223 0.000 2.475 113 N HA 0.470 5.210 4.740 0.000 0.000 0.267 113 N C -0.096 175.660 175.510 0.409 0.000 1.169 113 N CA 0.665 53.848 53.050 0.221 0.000 0.947 113 N CB 0.098 38.642 38.487 0.095 0.000 1.061 113 N HN 0.710 nan 8.380 nan 0.000 0.466 114 F N 1.831 121.857 119.950 0.127 0.000 2.678 114 F HA 0.522 5.049 4.527 0.000 0.000 0.308 114 F C -2.103 173.733 175.800 0.060 0.000 1.118 114 F CA -1.177 56.882 58.000 0.098 0.000 0.959 114 F CB 0.720 39.815 39.000 0.158 0.000 1.305 114 F HN 0.114 nan 8.300 nan 0.000 0.443 115 L N 2.775 123.932 121.223 -0.109 0.000 2.317 115 L HA 0.562 4.902 4.340 0.000 0.000 0.281 115 L C 0.125 177.018 176.870 0.038 0.000 1.024 115 L CA -1.207 53.543 54.840 -0.151 0.000 0.810 115 L CB 2.148 44.174 42.059 -0.055 0.000 1.240 115 L HN 0.861 nan 8.230 nan 0.000 0.427 116 S N 2.000 117.712 115.700 0.020 0.000 2.571 116 S HA 0.105 4.575 4.470 0.000 0.000 0.297 116 S C 0.016 174.680 174.600 0.105 0.000 1.234 116 S CA -0.634 57.663 58.200 0.161 0.000 1.120 116 S CB 0.005 63.277 63.200 0.120 0.000 0.923 116 S HN 0.599 nan 8.310 nan 0.000 0.504 117 Q N 2.275 122.144 119.800 0.115 0.000 2.535 117 Q HA 0.185 4.525 4.340 0.000 0.000 0.228 117 Q C 0.301 176.330 176.000 0.048 0.000 1.062 117 Q CA -0.236 55.602 55.803 0.058 0.000 0.967 117 Q CB 0.488 29.247 28.738 0.034 0.000 1.273 117 Q HN 0.644 nan 8.270 nan 0.000 0.554 118 R N 0.374 120.889 120.500 0.026 0.000 2.401 118 R HA 0.121 4.461 4.340 0.000 0.000 0.299 118 R C -0.806 175.507 176.300 0.022 0.000 1.064 118 R CA -0.282 55.830 56.100 0.020 0.000 1.000 118 R CB 0.371 30.676 30.300 0.009 0.000 0.973 118 R HN 0.307 nan 8.270 nan 0.000 0.438 119 V N 4.003 123.932 119.914 0.024 0.000 2.446 119 V HA 0.004 4.124 4.120 0.000 0.000 0.276 119 V C 0.545 176.640 176.094 0.003 0.000 1.030 119 V CA 0.269 62.581 62.300 0.021 0.000 1.033 119 V CB 0.667 32.506 31.823 0.026 0.000 0.993 119 V HN 0.891 nan 8.190 nan 0.000 0.477 120 S N 3.913 119.609 115.700 -0.008 0.000 2.568 120 S HA 0.337 4.807 4.470 0.000 0.000 0.302 120 S C 0.842 175.409 174.600 -0.055 0.000 1.082 120 S CA -0.709 57.475 58.200 -0.026 0.000 1.009 120 S CB 1.612 64.798 63.200 -0.023 0.000 1.069 120 S HN 0.642 nan 8.310 nan 0.000 0.500 121 N N 1.816 120.472 118.700 -0.073 0.000 2.188 121 N HA -0.033 4.707 4.740 0.000 0.000 0.184 121 N C 1.056 176.426 175.510 -0.233 0.000 1.018 121 N CA 1.112 54.093 53.050 -0.115 0.000 0.858 121 N CB -0.615 37.817 38.487 -0.091 0.000 0.989 121 N HN 0.802 nan 8.380 nan 0.000 0.426 122 G N -0.526 108.129 108.800 -0.242 0.000 2.481 122 G HA2 0.013 3.973 3.960 0.000 0.000 0.251 122 G HA3 0.013 3.973 3.960 0.000 0.000 0.251 122 G C -0.115 174.489 174.900 -0.494 0.000 1.492 122 G CA -0.044 44.803 45.100 -0.422 0.000 1.060 122 G HN 0.328 nan 8.290 nan 0.000 0.553 123 Y N 0.111 120.416 120.300 0.008 0.000 2.555 123 Y HA 0.283 4.833 4.550 0.000 0.000 0.259 123 Y C 0.866 176.752 175.900 -0.024 0.000 1.179 123 Y CA -0.517 57.582 58.100 -0.002 0.000 1.230 123 Y CB 0.162 38.617 38.460 -0.008 0.000 1.146 123 Y HN 0.177 nan 8.280 nan 0.000 0.526 124 E N 1.191 121.435 120.200 0.074 0.000 2.413 124 E HA 0.147 4.497 4.350 0.000 0.000 0.263 124 E C -0.463 176.149 176.600 0.020 0.000 1.015 124 E CA 0.074 56.501 56.400 0.045 0.000 0.916 124 E CB 1.969 31.692 29.700 0.038 0.000 0.947 124 E HN -0.083 nan 8.360 nan 0.000 0.440 125 V N 3.050 122.976 119.914 0.020 0.000 2.540 125 V HA 0.155 4.276 4.120 0.000 0.000 0.302 125 V C 0.376 176.500 176.094 0.050 0.000 1.035 125 V CA -0.900 61.396 62.300 -0.007 0.000 0.873 125 V CB 1.858 33.637 31.823 -0.074 0.000 0.992 125 V HN 0.532 nan 8.190 nan 0.000 0.428 126 K N 3.544 123.928 120.400 -0.027 0.000 2.401 126 K HA 0.207 4.527 4.320 0.000 0.000 0.278 126 K C -0.129 176.378 176.600 -0.156 0.000 1.018 126 K CA -0.589 55.654 56.287 -0.073 0.000 0.981 126 K CB 0.594 33.057 32.500 -0.062 0.000 0.933 126 K HN 0.557 nan 8.250 nan 0.000 0.477 127 L N 4.552 125.574 121.223 -0.335 0.000 2.640 127 L HA -0.140 4.200 4.340 0.000 0.000 0.280 127 L C -0.041 176.684 176.870 -0.241 0.000 1.229 127 L CA 1.500 56.016 54.840 -0.540 0.000 0.919 127 L CB -0.145 41.637 42.059 -0.463 0.000 1.168 127 L HN 0.953 nan 8.230 nan 0.000 0.496 128 S N 0.960 116.566 115.700 -0.156 0.000 3.127 128 S HA -0.246 4.224 4.470 0.000 0.000 0.281 128 S C 1.241 175.738 174.600 -0.172 0.000 1.293 128 S CA 1.259 59.400 58.200 -0.098 0.000 1.156 128 S CB -2.180 60.993 63.200 -0.044 0.000 1.389 128 S HN 1.103 nan 8.310 nan 0.000 0.672 129 S N 0.201 115.791 115.700 -0.183 0.000 2.561 129 S HA 0.102 4.572 4.470 0.000 0.000 0.225 129 S C 0.720 175.087 174.600 -0.389 0.000 0.977 129 S CA -0.095 57.984 58.200 -0.201 0.000 0.926 129 S CB 0.054 63.182 63.200 -0.120 0.000 0.769 129 S HN 0.430 nan 8.310 nan 0.000 0.533 130 R N 1.689 121.848 120.500 -0.568 0.000 2.748 130 R HA 0.309 4.649 4.340 0.000 0.000 0.283 130 R C -2.493 173.030 176.300 -1.295 0.000 1.507 130 R CA -1.622 53.841 56.100 -1.061 0.000 1.666 130 R CB 0.702 30.657 30.300 -0.576 0.000 1.237 130 R HN 0.326 nan 8.270 nan 0.000 0.633 131 P HA -0.077 nan 4.420 nan 0.000 0.242 131 P C 0.439 177.452 177.300 -0.478 0.000 1.197 131 P CA 0.465 63.161 63.100 -0.674 0.000 0.765 131 P CB 0.002 31.446 31.700 -0.427 0.000 0.936 132 W N -1.748 119.495 121.300 -0.094 0.000 3.003 132 W HA 0.284 4.944 4.660 0.000 0.000 0.257 132 W C 0.658 177.156 176.519 -0.034 0.000 1.308 132 W CA -0.463 56.828 57.345 -0.091 0.000 1.529 132 W CB -1.285 28.107 29.460 -0.114 0.000 1.115 132 W HN -0.307 nan 8.180 nan 0.000 0.659 133 M N 2.075 121.650 119.600 -0.042 0.000 2.252 133 M HA 0.314 4.794 4.480 0.000 0.000 0.348 133 M C 0.105 176.489 176.300 0.139 0.000 1.334 133 M CA -0.315 55.063 55.300 0.131 0.000 1.071 133 M CB -0.277 32.386 32.600 0.106 0.000 1.763 133 M HN 0.152 nan 8.290 nan 0.000 0.452 134 A N 5.044 127.941 122.820 0.128 0.000 2.374 134 A HA 0.880 5.200 4.320 0.000 0.000 0.317 134 A C -0.977 176.543 177.584 -0.106 0.000 1.094 134 A CA -0.756 51.276 52.037 -0.008 0.000 0.765 134 A CB 1.351 20.352 19.000 0.003 0.000 1.268 134 A HN 0.822 nan 8.150 nan 0.000 0.438 135 L N 1.913 122.929 121.223 -0.346 0.000 2.333 135 L HA 0.449 4.790 4.340 0.000 0.000 0.280 135 L C -1.229 175.466 176.870 -0.292 0.000 1.004 135 L CA -0.751 53.748 54.840 -0.568 0.000 0.820 135 L CB 1.687 42.856 42.059 -1.483 0.000 1.247 135 L HN 0.539 nan 8.230 nan 0.000 0.416 136 L N 4.300 125.494 121.223 -0.047 0.000 2.264 136 L HA 0.447 4.787 4.340 0.000 0.000 0.289 136 L C 0.089 177.037 176.870 0.130 0.000 1.044 136 L CA 0.126 54.960 54.840 -0.009 0.000 0.807 136 L CB 1.183 43.245 42.059 0.005 0.000 1.192 136 L HN 0.460 nan 8.230 nan 0.000 0.425 137 R N 2.592 123.041 120.500 -0.085 0.000 2.346 137 R HA 0.537 4.877 4.340 0.000 0.000 0.311 137 R C -1.496 174.608 176.300 -0.326 0.000 0.983 137 R CA -0.543 55.472 56.100 -0.142 0.000 0.880 137 R CB 0.870 30.951 30.300 -0.365 0.000 1.100 137 R HN 0.420 nan 8.270 nan 0.000 0.453 138 Y N 1.370 121.716 120.300 0.076 0.000 2.446 138 Y HA 0.223 4.773 4.550 0.000 0.000 0.345 138 Y C -0.024 175.971 175.900 0.158 0.000 0.984 138 Y CA -0.981 57.211 58.100 0.154 0.000 1.058 138 Y CB 1.805 40.284 38.460 0.031 0.000 1.220 138 Y HN 0.303 nan 8.280 nan 0.000 0.455 139 Q N 3.203 123.142 119.800 0.231 0.000 2.313 139 Q HA 0.144 4.484 4.340 0.000 0.000 0.266 139 Q C -0.791 175.185 176.000 -0.039 0.000 0.989 139 Q CA 0.107 55.901 55.803 -0.016 0.000 0.890 139 Q CB 1.359 30.014 28.738 -0.139 0.000 1.200 139 Q HN 0.723 nan 8.270 nan 0.000 0.396 140 Q N 2.232 121.964 119.800 -0.113 0.000 2.313 140 Q HA 0.193 4.534 4.340 0.000 0.000 0.255 140 Q C -1.208 174.651 176.000 -0.235 0.000 0.944 140 Q CA -0.446 55.155 55.803 -0.337 0.000 0.881 140 Q CB 0.934 29.416 28.738 -0.426 0.000 1.375 140 Q HN 0.521 nan 8.270 nan 0.000 0.422 141 F N 2.060 122.008 119.950 -0.004 0.000 3.067 141 F HA -0.260 4.266 4.527 -0.000 0.000 0.279 141 F C 1.153 176.942 175.800 -0.018 0.000 0.945 141 F CA 1.666 59.659 58.000 -0.011 0.000 0.948 141 F CB -2.092 36.902 39.000 -0.009 0.000 0.898 141 F HN 0.959 nan 8.300 nan 0.000 0.746 142 G N -1.897 106.958 108.800 0.092 0.000 2.212 142 G HA2 -0.294 3.666 3.960 0.000 0.000 0.266 142 G HA3 -0.294 3.666 3.960 0.000 0.000 0.266 142 G C 0.435 175.342 174.900 0.012 0.000 0.978 142 G CA 0.701 45.823 45.100 0.037 0.000 0.632 142 G HN 0.497 nan 8.290 nan 0.000 0.537 143 E N -0.403 119.811 120.200 0.024 0.000 2.493 143 E HA 0.760 5.110 4.350 0.000 0.000 0.243 143 E C 0.090 176.680 176.600 -0.016 0.000 0.875 143 E CA 0.100 56.503 56.400 0.005 0.000 0.872 143 E CB 1.440 31.161 29.700 0.034 0.000 1.476 143 E HN 0.753 nan 8.360 nan 0.000 0.394 144 S N -0.287 115.405 115.700 -0.013 0.000 2.541 144 S HA 0.821 5.291 4.470 0.000 0.000 0.280 144 S C -0.523 174.036 174.600 -0.068 0.000 1.112 144 S CA -0.899 57.305 58.200 0.008 0.000 0.925 144 S CB 2.253 65.513 63.200 0.099 0.000 1.067 144 S HN 0.398 nan 8.310 nan 0.000 0.479 145 R N 0.487 120.951 120.500 -0.060 0.000 2.707 145 R HA 0.480 4.820 4.340 0.000 0.000 0.272 145 R C -1.653 174.606 176.300 -0.068 0.000 1.011 145 R CA -0.788 55.239 56.100 -0.123 0.000 0.893 145 R CB 1.228 31.519 30.300 -0.015 0.000 1.233 145 R HN 0.581 nan 8.270 nan 0.000 0.464 146 F N 2.386 122.365 119.950 0.050 0.000 2.445 146 F HA 0.251 4.778 4.527 -0.000 0.000 0.359 146 F C 1.099 176.959 175.800 0.099 0.000 1.101 146 F CA -0.306 57.729 58.000 0.058 0.000 1.177 146 F CB 0.548 39.503 39.000 -0.076 0.000 1.110 146 F HN 0.296 nan 8.300 nan 0.000 0.522 147 L N 2.598 124.058 121.223 0.395 0.000 3.184 147 L HA 0.335 4.675 4.340 0.000 0.000 0.283 147 L C -0.507 176.448 176.870 0.142 0.000 1.218 147 L CA 0.265 55.178 54.840 0.121 0.000 1.028 147 L CB 0.458 42.374 42.059 -0.238 0.000 1.400 147 L HN 0.591 nan 8.230 nan 0.000 0.591 148 c N -1.329 117.443 118.600 0.286 0.000 3.306 148 c HA 0.759 5.329 4.570 0.000 0.000 0.335 148 c C 0.500 174.677 174.090 0.146 0.000 1.382 148 c CA -0.753 55.699 56.329 0.205 0.000 1.254 148 c CB 1.391 44.043 42.510 0.238 0.000 1.555 148 c HN 0.433 nan 8.230 nan 0.000 0.463 149 G N -0.392 108.472 108.800 0.107 0.000 3.075 149 G HA2 0.902 4.862 3.960 0.000 0.000 0.253 149 G HA3 0.902 4.862 3.960 0.000 0.000 0.253 149 G C -0.316 174.624 174.900 0.066 0.000 1.353 149 G CA 0.079 45.232 45.100 0.090 0.000 1.051 149 G HN 1.660 nan 8.290 nan 0.000 0.553 150 G N -2.455 106.395 108.800 0.082 0.000 2.321 150 G HA2 0.660 4.620 3.960 0.000 0.000 0.296 150 G HA3 0.660 4.620 3.960 0.000 0.000 0.296 150 G C -1.607 173.358 174.900 0.108 0.000 1.287 150 G CA 0.382 45.526 45.100 0.073 0.000 0.846 150 G HN 1.821 nan 8.290 nan 0.000 0.508 151 A N -0.403 122.480 122.820 0.104 0.000 2.486 151 A HA 0.759 5.079 4.320 0.000 0.000 0.300 151 A C -0.278 177.382 177.584 0.128 0.000 1.048 151 A CA -0.347 51.778 52.037 0.147 0.000 0.696 151 A CB 1.741 20.822 19.000 0.135 0.000 1.278 151 A HN 1.431 nan 8.150 nan 0.000 0.405 152 M N 3.338 123.032 119.600 0.157 0.000 2.238 152 M HA 0.311 4.791 4.480 0.000 0.000 0.350 152 M C 0.329 176.705 176.300 0.128 0.000 1.321 152 M CA 0.306 55.694 55.300 0.146 0.000 1.097 152 M CB 0.080 32.762 32.600 0.135 0.000 1.713 152 M HN 0.739 nan 8.290 nan 0.000 0.455 153 I N 0.902 121.583 120.570 0.184 0.000 4.288 153 I HA 0.371 4.541 4.170 0.000 0.000 0.331 153 I C 0.044 176.426 176.117 0.442 0.000 1.322 153 I CA -0.154 61.265 61.300 0.198 0.000 1.149 153 I CB 0.388 38.471 38.000 0.138 0.000 1.112 153 I HN 0.663 nan 8.210 nan 0.000 0.403 154 S N 0.372 116.366 115.700 0.489 0.000 2.655 154 S HA 0.201 4.672 4.470 0.000 0.000 0.266 154 S C 0.454 175.412 174.600 0.596 0.000 1.149 154 S CA -0.103 58.508 58.200 0.685 0.000 0.818 154 S CB 0.957 64.507 63.200 0.584 0.000 1.130 154 S HN 0.387 nan 8.310 nan 0.000 0.476 155 E N 0.365 120.876 120.200 0.518 0.000 2.333 155 E HA -0.046 4.304 4.350 0.000 0.000 0.198 155 E C 1.150 177.828 176.600 0.131 0.000 1.007 155 E CA 0.564 57.105 56.400 0.235 0.000 0.845 155 E CB -0.181 29.451 29.700 -0.114 0.000 0.766 155 E HN 0.551 nan 8.360 nan 0.000 0.507 156 R N -0.700 119.878 120.500 0.130 0.000 2.549 156 R HA 0.225 4.565 4.340 0.000 0.000 0.344 156 R C -0.754 175.371 176.300 -0.291 0.000 0.979 156 R CA -0.118 55.926 56.100 -0.093 0.000 1.140 156 R CB 0.763 30.951 30.300 -0.188 0.000 1.377 156 R HN 0.112 nan 8.270 nan 0.000 0.541 157 Y N 0.336 120.690 120.300 0.089 0.000 2.442 157 Y HA 0.427 4.977 4.550 -0.000 0.000 0.344 157 Y C -0.139 175.808 175.900 0.079 0.000 0.976 157 Y CA -1.079 57.061 58.100 0.066 0.000 1.040 157 Y CB 1.818 40.322 38.460 0.074 0.000 1.228 157 Y HN -0.222 nan 8.280 nan 0.000 0.451 158 I N 4.371 125.050 120.570 0.181 0.000 2.433 158 I HA 0.288 4.458 4.170 0.000 0.000 0.292 158 I C -0.864 175.339 176.117 0.143 0.000 1.001 158 I CA -0.995 60.381 61.300 0.126 0.000 1.119 158 I CB 1.518 39.545 38.000 0.046 0.000 1.289 158 I HN 0.410 nan 8.210 nan 0.000 0.438 159 L N 5.982 127.279 121.223 0.123 0.000 2.295 159 L HA 0.709 5.049 4.340 0.000 0.000 0.285 159 L C 0.026 176.936 176.870 0.067 0.000 1.035 159 L CA 0.752 55.660 54.840 0.113 0.000 0.806 159 L CB 1.429 43.547 42.059 0.098 0.000 1.214 159 L HN 0.816 nan 8.230 nan 0.000 0.426 160 T N 3.023 117.603 114.554 0.042 0.000 2.618 160 T HA 0.839 5.189 4.350 0.000 0.000 0.293 160 T C -1.295 173.346 174.700 -0.099 0.000 1.093 160 T CA -0.026 62.061 62.100 -0.021 0.000 1.061 160 T CB 1.084 69.941 68.868 -0.019 0.000 1.498 160 T HN 0.864 nan 8.240 nan 0.000 0.494 161 A N 0.320 123.009 122.820 -0.218 0.000 2.303 161 A HA 0.761 5.081 4.320 0.000 0.000 0.317 161 A C 1.421 178.756 177.584 -0.415 0.000 1.149 161 A CA 0.193 52.017 52.037 -0.354 0.000 0.822 161 A CB 0.504 19.164 19.000 -0.567 0.000 1.131 161 A HN 1.192 nan 8.150 nan 0.000 0.493 162 A N 0.750 123.281 122.820 -0.480 0.000 2.019 162 A HA -0.154 4.166 4.320 0.000 0.000 0.219 162 A C 1.742 178.976 177.584 -0.584 0.000 1.164 162 A CA 1.784 53.431 52.037 -0.649 0.000 0.644 162 A CB -1.052 17.196 19.000 -1.254 0.000 0.805 162 A HN 1.080 nan 8.150 nan 0.000 0.449 163 H N -2.066 116.787 119.070 -0.363 0.000 2.521 163 H HA -0.064 4.492 4.556 0.000 0.000 0.286 163 H C 1.546 176.875 175.328 0.002 0.000 1.034 163 H CA 1.354 57.361 56.048 -0.069 0.000 1.278 163 H CB -0.580 29.197 29.762 0.025 0.000 1.386 163 H HN 0.426 nan 8.280 nan 0.000 0.567 164 c N 0.919 119.329 118.600 -0.316 0.000 2.539 164 c HA 0.132 4.702 4.570 0.000 0.000 0.268 164 c C 2.459 176.637 174.090 0.148 0.000 1.395 164 c CA 0.151 56.459 56.329 -0.035 0.000 1.757 164 c CB -0.364 42.105 42.510 -0.069 0.000 1.851 164 c HN 0.517 nan 8.230 nan 0.000 0.545 165 V N -1.759 118.197 119.914 0.070 0.000 3.058 165 V HA 0.119 4.240 4.120 0.000 0.000 0.233 165 V C 0.704 176.861 176.094 0.105 0.000 1.255 165 V CA 0.117 62.488 62.300 0.119 0.000 1.267 165 V CB -0.790 31.091 31.823 0.096 0.000 1.049 165 V HN 0.454 nan 8.190 nan 0.000 0.486 166 H N 1.717 120.796 119.070 0.015 0.000 3.157 166 H HA 0.350 4.906 4.556 0.000 0.000 0.299 166 H C 1.292 176.674 175.328 0.090 0.000 0.961 166 H CA 1.214 57.314 56.048 0.086 0.000 1.428 166 H CB 0.083 29.973 29.762 0.213 0.000 1.459 166 H HN 0.500 nan 8.280 nan 0.000 0.566 167 G N 3.866 112.451 108.800 -0.359 0.000 2.166 167 G HA2 -0.274 3.686 3.960 0.000 0.000 0.260 167 G HA3 -0.274 3.686 3.960 0.000 0.000 0.260 167 G C 0.495 175.353 174.900 -0.069 0.000 0.986 167 G CA 0.644 45.614 45.100 -0.217 0.000 0.683 167 G HN 0.652 nan 8.290 nan 0.000 0.527 168 L N -1.232 119.973 121.223 -0.030 0.000 3.217 168 L HA 0.231 4.571 4.340 0.000 0.000 0.288 168 L C 2.263 179.119 176.870 -0.023 0.000 1.202 168 L CA 0.177 55.046 54.840 0.048 0.000 1.027 168 L CB 0.334 42.511 42.059 0.196 0.000 1.427 168 L HN 0.122 nan 8.230 nan 0.000 0.600 169 Q N 0.492 120.174 119.800 -0.196 0.000 2.077 169 Q HA -0.244 4.096 4.340 0.000 0.000 0.206 169 Q C 1.975 177.708 176.000 -0.444 0.000 0.989 169 Q CA 2.091 57.540 55.803 -0.590 0.000 0.853 169 Q CB -0.323 28.064 28.738 -0.586 0.000 0.907 169 Q HN 0.412 nan 8.270 nan 0.000 0.418 170 N N -0.144 118.440 118.700 -0.193 0.000 2.244 170 N HA -0.154 4.586 4.740 0.000 0.000 0.183 170 N C 0.576 176.076 175.510 -0.016 0.000 1.016 170 N CA 1.127 54.126 53.050 -0.086 0.000 0.866 170 N CB 0.139 38.589 38.487 -0.063 0.000 0.980 170 N HN 0.227 nan 8.380 nan 0.000 0.430 171 D N 0.601 121.013 120.400 0.020 0.000 2.162 171 D HA -0.065 4.575 4.640 0.000 0.000 0.203 171 D C 0.573 176.973 176.300 0.166 0.000 0.967 171 D CA 0.207 54.271 54.000 0.106 0.000 0.840 171 D CB -0.151 40.755 40.800 0.176 0.000 0.972 171 D HN 0.177 nan 8.370 nan 0.000 0.482 172 L N 2.290 123.551 121.223 0.064 0.000 2.462 172 L HA 0.037 4.377 4.340 0.000 0.000 0.283 172 L C 0.113 177.033 176.870 0.083 0.000 1.166 172 L CA -0.024 54.712 54.840 -0.173 0.000 0.964 172 L CB -0.467 41.510 42.059 -0.136 0.000 1.294 172 L HN 0.013 nan 8.230 nan 0.000 0.449 173 Y N 1.610 121.836 120.300 -0.123 0.000 2.444 173 Y HA 0.546 5.096 4.550 -0.000 0.000 0.252 173 Y C 0.308 176.169 175.900 -0.065 0.000 1.091 173 Y CA -0.555 57.516 58.100 -0.048 0.000 1.276 173 Y CB 0.120 38.554 38.460 -0.043 0.000 1.170 173 Y HN 0.497 nan 8.280 nan 0.000 0.517 174 E N 0.577 120.342 120.200 -0.725 0.000 2.408 174 E HA 0.519 4.869 4.350 0.000 0.000 0.275 174 E C -1.595 174.808 176.600 -0.327 0.000 0.935 174 E CA -1.009 55.072 56.400 -0.531 0.000 0.775 174 E CB 2.477 31.741 29.700 -0.728 0.000 1.277 174 E HN -0.042 nan 8.360 nan 0.000 0.455 175 I N 1.800 122.251 120.570 -0.198 0.000 2.509 175 I HA 0.408 4.578 4.170 0.000 0.000 0.293 175 I C -0.290 175.766 176.117 -0.101 0.000 1.020 175 I CA -0.586 60.633 61.300 -0.135 0.000 1.088 175 I CB 1.616 39.544 38.000 -0.120 0.000 1.267 175 I HN 0.463 nan 8.210 nan 0.000 0.430 176 R N 6.070 126.493 120.500 -0.128 0.000 2.387 176 R HA 0.756 5.096 4.340 0.000 0.000 0.314 176 R C -1.663 174.526 176.300 -0.185 0.000 0.958 176 R CA -0.494 55.519 56.100 -0.144 0.000 0.846 176 R CB 1.222 31.417 30.300 -0.176 0.000 1.147 176 R HN 0.594 nan 8.270 nan 0.000 0.447 177 L N 2.999 124.148 121.223 -0.125 0.000 2.342 177 L HA 0.532 4.872 4.340 0.000 0.000 0.271 177 L C 0.904 177.679 176.870 -0.159 0.000 1.008 177 L CA -0.313 54.452 54.840 -0.125 0.000 0.818 177 L CB 2.141 44.141 42.059 -0.099 0.000 1.296 177 L HN 0.997 nan 8.230 nan 0.000 0.427 178 G N 0.959 109.643 108.800 -0.195 0.000 2.136 178 G HA2 -0.248 3.712 3.960 0.000 0.000 0.242 178 G HA3 -0.248 3.712 3.960 0.000 0.000 0.242 178 G C -0.025 174.915 174.900 0.067 0.000 0.989 178 G CA 0.125 45.084 45.100 -0.236 0.000 0.682 178 G HN 0.600 nan 8.290 nan 0.000 0.522 179 E N -0.826 119.414 120.200 0.066 0.000 2.373 179 E HA 0.639 4.989 4.350 0.000 0.000 0.263 179 E C 0.876 177.708 176.600 0.386 0.000 1.073 179 E CA -0.151 56.334 56.400 0.141 0.000 0.894 179 E CB 0.705 30.323 29.700 -0.136 0.000 1.008 179 E HN 0.458 nan 8.360 nan 0.000 0.420 180 H N 1.931 121.168 119.070 0.278 0.000 1.985 180 H HA 0.365 4.922 4.556 0.000 0.000 0.159 180 H C -0.397 175.148 175.328 0.362 0.000 1.010 180 H CA -0.027 56.187 56.048 0.277 0.000 1.075 180 H CB 0.429 30.262 29.762 0.118 0.000 0.963 180 H HN 0.326 nan 8.280 nan 0.000 0.330 181 R N 1.204 121.841 120.500 0.229 0.000 2.310 181 R HA 0.307 4.647 4.340 0.000 0.000 0.324 181 R C 0.301 176.677 176.300 0.127 0.000 0.955 181 R CA -0.187 56.010 56.100 0.162 0.000 0.830 181 R CB 0.505 30.899 30.300 0.157 0.000 1.154 181 R HN 0.423 nan 8.270 nan 0.000 0.458 182 I N 2.076 122.697 120.570 0.085 0.000 2.226 182 I HA -0.307 3.863 4.170 0.000 0.000 0.245 182 I C 2.144 178.298 176.117 0.061 0.000 1.100 182 I CA 1.741 63.054 61.300 0.021 0.000 1.374 182 I CB -0.193 37.787 38.000 -0.033 0.000 1.057 182 I HN 0.703 nan 8.210 nan 0.000 0.413 183 S N -0.356 115.384 115.700 0.067 0.000 2.447 183 S HA -0.081 4.389 4.470 0.000 0.000 0.233 183 S C 1.090 175.723 174.600 0.055 0.000 1.006 183 S CA 0.753 58.987 58.200 0.057 0.000 0.957 183 S CB -1.094 62.139 63.200 0.055 0.000 0.773 183 S HN 0.539 nan 8.310 nan 0.000 0.507 184 T N -0.975 113.618 114.554 0.065 0.000 2.794 184 T HA 0.502 4.852 4.350 0.000 0.000 0.280 184 T C 0.334 175.071 174.700 0.060 0.000 0.987 184 T CA -0.758 61.377 62.100 0.060 0.000 0.993 184 T CB 1.955 70.863 68.868 0.067 0.000 0.939 184 T HN 0.236 nan 8.240 nan 0.000 0.449 185 E N 1.494 121.723 120.200 0.047 0.000 2.208 185 E HA -0.048 4.302 4.350 0.000 0.000 0.193 185 E C -0.028 176.599 176.600 0.044 0.000 0.988 185 E CA 0.726 57.153 56.400 0.045 0.000 0.828 185 E CB 0.303 30.023 29.700 0.034 0.000 0.763 185 E HN 0.775 nan 8.360 nan 0.000 0.478 186 E N 1.055 121.279 120.200 0.040 0.000 2.145 186 E HA 0.205 4.555 4.350 0.000 0.000 0.270 186 E C -1.456 175.171 176.600 0.045 0.000 0.906 186 E CA -0.540 55.878 56.400 0.031 0.000 0.761 186 E CB 1.577 31.288 29.700 0.019 0.000 1.116 186 E HN 0.012 nan 8.360 nan 0.000 0.408 187 D N 2.982 123.409 120.400 0.045 0.000 2.440 187 D HA 0.295 4.935 4.640 0.000 0.000 0.239 187 D C -0.829 175.473 176.300 0.005 0.000 1.084 187 D CA -0.307 53.730 54.000 0.062 0.000 0.843 187 D CB 0.772 41.647 40.800 0.124 0.000 1.097 187 D HN 0.319 nan 8.370 nan 0.000 0.531 188 c N 1.838 120.438 118.600 0.000 0.000 2.913 188 c HA 0.848 5.418 4.570 0.000 0.000 0.322 188 c C 0.056 174.124 174.090 -0.037 0.000 1.292 188 c CA -1.054 55.259 56.329 -0.026 0.000 1.649 188 c CB 2.039 44.541 42.510 -0.013 0.000 2.139 188 c HN 0.668 nan 8.230 nan 0.000 0.475 189 R N 0.641 121.113 120.500 -0.046 0.000 2.808 189 R HA 0.601 4.941 4.340 0.000 0.000 0.272 189 R C -1.165 175.117 176.300 -0.029 0.000 0.995 189 R CA -0.540 55.534 56.100 -0.043 0.000 0.917 189 R CB 1.283 31.542 30.300 -0.068 0.000 1.217 189 R HN 0.803 nan 8.270 nan 0.000 0.471 190 Q N 1.566 121.354 119.800 -0.021 0.000 2.311 190 Q HA -0.007 4.333 4.340 0.000 0.000 0.272 190 Q C -0.961 175.028 176.000 -0.019 0.000 1.012 190 Q CA 0.182 55.976 55.803 -0.015 0.000 0.891 190 Q CB 0.905 29.638 28.738 -0.009 0.000 1.201 190 Q HN 0.614 nan 8.270 nan 0.000 0.391 191 Q N 3.740 123.530 119.800 -0.017 0.000 2.490 191 Q HA 0.408 4.748 4.340 0.000 0.000 0.255 191 Q C -0.007 175.985 176.000 -0.012 0.000 0.997 191 Q CA 0.285 56.078 55.803 -0.016 0.000 0.709 191 Q CB 0.741 29.467 28.738 -0.020 0.000 1.255 191 Q HN 1.002 nan 8.270 nan 0.000 0.486 192 G N 3.130 111.924 108.800 -0.010 0.000 2.565 192 G HA2 -0.377 3.583 3.960 0.000 0.000 0.295 192 G HA3 -0.377 3.583 3.960 0.000 0.000 0.295 192 G C 0.296 175.192 174.900 -0.006 0.000 1.165 192 G CA 0.382 45.477 45.100 -0.007 0.000 0.977 192 G HN 0.560 nan 8.290 nan 0.000 0.546 193 R N 1.268 121.765 120.500 -0.005 0.000 2.427 193 R HA 0.463 4.803 4.340 0.000 0.000 0.262 193 R C 1.005 177.302 176.300 -0.004 0.000 0.943 193 R CA 0.693 56.791 56.100 -0.004 0.000 1.081 193 R CB 0.298 30.596 30.300 -0.003 0.000 1.166 193 R HN 0.525 nan 8.270 nan 0.000 0.534 194 K N -0.381 120.016 120.400 -0.006 0.000 2.149 194 K HA 0.426 4.746 4.320 0.000 0.000 0.241 194 K C -0.921 175.673 176.600 -0.009 0.000 1.083 194 K CA -0.979 55.304 56.287 -0.007 0.000 0.885 194 K CB 1.518 34.014 32.500 -0.008 0.000 1.374 194 K HN -0.138 nan 8.250 nan 0.000 0.511 195 K N 0.712 121.105 120.400 -0.011 0.000 2.422 195 K HA 0.413 4.733 4.320 0.000 0.000 0.251 195 K C -1.398 175.190 176.600 -0.021 0.000 0.933 195 K CA -0.997 55.281 56.287 -0.015 0.000 0.798 195 K CB 2.270 34.763 32.500 -0.011 0.000 1.238 195 K HN 0.251 nan 8.250 nan 0.000 0.428 196 K N 2.768 123.151 120.400 -0.028 0.000 2.274 196 K HA 0.365 4.685 4.320 0.000 0.000 0.262 196 K C -1.312 175.259 176.600 -0.047 0.000 0.961 196 K CA -0.679 55.586 56.287 -0.037 0.000 0.833 196 K CB 1.263 33.739 32.500 -0.039 0.000 1.102 196 K HN 0.810 nan 8.250 nan 0.000 0.436 197 c N 2.720 121.290 118.600 -0.050 0.000 2.397 197 c HA 0.657 5.227 4.570 0.000 0.000 0.343 197 c C 0.650 174.686 174.090 -0.090 0.000 1.188 197 c CA -0.940 55.354 56.329 -0.058 0.000 1.992 197 c CB 0.772 43.258 42.510 -0.041 0.000 2.358 197 c HN 0.931 nan 8.230 nan 0.000 0.518 198 A N 2.970 125.728 122.820 -0.105 0.000 2.346 198 A HA 0.616 4.936 4.320 0.000 0.000 0.252 198 A C -2.255 175.173 177.584 -0.261 0.000 1.089 198 A CA -0.606 51.319 52.037 -0.186 0.000 0.797 198 A CB -0.573 18.353 19.000 -0.124 0.000 1.047 198 A HN 0.743 nan 8.150 nan 0.000 0.494 199 P HA 0.297 nan 4.420 nan 0.000 0.273 199 P C -2.482 174.677 177.300 -0.236 0.000 1.250 199 P CA -0.963 61.903 63.100 -0.391 0.000 0.793 199 P CB -0.479 30.922 31.700 -0.499 0.000 1.011 200 P HA -0.023 nan 4.420 nan 0.000 0.268 200 P C -0.414 177.019 177.300 0.222 0.000 1.208 200 P CA -0.121 63.020 63.100 0.068 0.000 0.777 200 P CB 0.091 31.821 31.700 0.051 0.000 0.875 201 V N 0.481 120.497 119.914 0.169 0.000 3.237 201 V HA 0.208 4.328 4.120 0.000 0.000 0.305 201 V C -0.076 176.072 176.094 0.089 0.000 1.096 201 V CA -0.204 62.182 62.300 0.143 0.000 1.130 201 V CB 0.448 32.310 31.823 0.066 0.000 1.048 201 V HN 0.174 nan 8.190 nan 0.000 0.484 202 V N 3.036 122.965 119.914 0.025 0.000 2.417 202 V HA 0.466 4.586 4.120 0.000 0.000 0.291 202 V C -0.215 175.870 176.094 -0.015 0.000 1.024 202 V CA -0.590 61.715 62.300 0.008 0.000 0.861 202 V CB 1.289 33.107 31.823 -0.008 0.000 0.985 202 V HN 0.997 nan 8.190 nan 0.000 0.436 203 N N 3.539 122.234 118.700 -0.008 0.000 2.446 203 N HA 0.540 5.280 4.740 0.000 0.000 0.265 203 N C -1.055 174.433 175.510 -0.037 0.000 0.975 203 N CA -0.089 52.947 53.050 -0.024 0.000 0.928 203 N CB 2.388 40.871 38.487 -0.008 0.000 1.160 203 N HN 0.449 nan 8.380 nan 0.000 0.495 204 V N 0.947 120.823 119.914 -0.063 0.000 2.914 204 V HA 0.800 4.920 4.120 0.000 0.000 0.314 204 V C 0.377 176.416 176.094 -0.092 0.000 1.084 204 V CA -0.512 61.750 62.300 -0.064 0.000 0.963 204 V CB 1.925 33.713 31.823 -0.058 0.000 1.025 204 V HN 0.657 nan 8.190 nan 0.000 0.432 205 G N 4.031 112.788 108.800 -0.073 0.000 2.557 205 G HA2 0.611 4.571 3.960 0.000 0.000 0.292 205 G HA3 0.611 4.571 3.960 0.000 0.000 0.292 205 G C -0.875 173.960 174.900 -0.108 0.000 1.237 205 G CA -0.642 44.414 45.100 -0.072 0.000 0.978 205 G HN 0.745 nan 8.290 nan 0.000 0.498 206 I N -0.143 120.359 120.570 -0.114 0.000 2.418 206 I HA 0.237 4.407 4.170 0.000 0.000 0.287 206 I C 1.053 177.071 176.117 -0.165 0.000 1.008 206 I CA -0.330 60.845 61.300 -0.210 0.000 1.104 206 I CB 2.428 40.205 38.000 -0.371 0.000 1.264 206 I HN 0.762 nan 8.210 nan 0.000 0.438 207 E N 5.646 125.745 120.200 -0.168 0.000 2.086 207 E HA 0.068 4.418 4.350 0.000 0.000 0.190 207 E C -0.013 176.536 176.600 -0.086 0.000 0.975 207 E CA 0.963 57.302 56.400 -0.103 0.000 0.813 207 E CB 0.585 30.222 29.700 -0.105 0.000 0.768 207 E HN 0.505 nan 8.360 nan 0.000 0.457 208 K N -0.102 120.202 120.400 -0.160 0.000 2.464 208 K HA 0.343 4.663 4.320 0.000 0.000 0.253 208 K C -1.642 174.856 176.600 -0.169 0.000 0.933 208 K CA -0.620 55.623 56.287 -0.073 0.000 0.801 208 K CB 1.759 34.246 32.500 -0.020 0.000 1.271 208 K HN 0.018 nan 8.250 nan 0.000 0.430 209 H N 2.050 121.136 119.070 0.026 0.000 2.623 209 H HA 0.297 4.853 4.556 0.000 0.000 0.299 209 H C -0.883 174.494 175.328 0.081 0.000 1.052 209 H CA -0.435 55.639 56.048 0.043 0.000 1.231 209 H CB 0.412 30.192 29.762 0.031 0.000 1.389 209 H HN 0.164 nan 8.280 nan 0.000 0.469 210 L N 5.352 126.692 121.223 0.195 0.000 2.335 210 L HA 0.376 4.716 4.340 0.000 0.000 0.268 210 L C -0.375 176.690 176.870 0.326 0.000 1.037 210 L CA -0.275 54.703 54.840 0.230 0.000 0.895 210 L CB 0.253 42.420 42.059 0.180 0.000 1.266 210 L HN 0.504 nan 8.230 nan 0.000 0.439 211 I N 1.021 121.750 120.570 0.264 0.000 2.428 211 I HA 0.115 4.285 4.170 0.000 0.000 0.289 211 I C 0.690 176.962 176.117 0.257 0.000 1.019 211 I CA -0.578 60.845 61.300 0.204 0.000 1.351 211 I CB 0.723 38.815 38.000 0.154 0.000 1.412 211 I HN 0.458 nan 8.210 nan 0.000 0.513 212 H N 4.354 123.377 119.070 -0.079 0.000 3.094 212 H HA -0.078 4.478 4.556 0.000 0.000 0.320 212 H C 0.803 176.139 175.328 0.013 0.000 1.000 212 H CA 0.394 56.246 56.048 -0.326 0.000 1.413 212 H CB 0.761 30.106 29.762 -0.694 0.000 1.405 212 H HN 0.564 nan 8.280 nan 0.000 0.586 213 E N 3.290 123.463 120.200 -0.046 0.000 2.209 213 E HA -0.163 4.187 4.350 0.000 0.000 0.196 213 E C 0.944 177.645 176.600 0.168 0.000 0.993 213 E CA 1.427 57.883 56.400 0.094 0.000 0.819 213 E CB 0.150 29.880 29.700 0.050 0.000 0.745 213 E HN 0.606 nan 8.360 nan 0.000 0.477 214 K N -0.244 120.354 120.400 0.329 0.000 2.387 214 K HA 0.048 4.368 4.320 0.000 0.000 0.198 214 K C -0.285 176.463 176.600 0.247 0.000 1.022 214 K CA -0.388 56.009 56.287 0.184 0.000 1.128 214 K CB 0.226 32.656 32.500 -0.117 0.000 0.853 214 K HN 0.111 nan 8.250 nan 0.000 0.523 215 Y N 2.905 123.294 120.300 0.148 0.000 2.721 215 Y HA -0.113 4.437 4.550 0.000 0.000 0.329 215 Y C -0.117 175.804 175.900 0.035 0.000 1.211 215 Y CA -0.277 57.862 58.100 0.065 0.000 1.512 215 Y CB 0.195 38.669 38.460 0.023 0.000 1.249 215 Y HN -0.004 nan 8.280 nan 0.000 0.549 216 D N 5.441 125.492 120.400 -0.582 0.000 2.461 216 D HA 0.338 4.978 4.640 0.000 0.000 0.240 216 D C 0.409 176.160 176.300 -0.916 0.000 1.094 216 D CA 0.096 53.789 54.000 -0.510 0.000 0.868 216 D CB 1.201 41.918 40.800 -0.139 0.000 1.062 216 D HN 0.745 nan 8.370 nan 0.000 0.530 217 A N 4.155 126.379 122.820 -0.993 0.000 2.121 217 A HA -0.142 4.178 4.320 0.000 0.000 0.218 217 A C 1.999 179.343 177.584 -0.398 0.000 1.154 217 A CA 1.074 52.630 52.037 -0.801 0.000 0.679 217 A CB -0.047 18.528 19.000 -0.707 0.000 0.795 217 A HN 0.457 nan 8.150 nan 0.000 0.458 218 R N -0.523 119.762 120.500 -0.359 0.000 2.064 218 R HA 0.011 4.351 4.340 0.000 0.000 0.221 218 R C 1.635 177.669 176.300 -0.443 0.000 1.136 218 R CA 1.686 57.557 56.100 -0.381 0.000 0.980 218 R CB -0.499 29.530 30.300 -0.450 0.000 0.876 218 R HN 0.614 nan 8.270 nan 0.000 0.437 219 H N 1.386 120.349 119.070 -0.178 0.000 2.539 219 H HA 0.207 4.763 4.556 -0.000 0.000 0.269 219 H C 0.129 175.354 175.328 -0.172 0.000 0.980 219 H CA 0.643 56.600 56.048 -0.150 0.000 1.152 219 H CB 0.299 29.982 29.762 -0.132 0.000 1.407 219 H HN 0.086 nan 8.280 nan 0.000 0.564 220 I N 0.465 120.952 120.570 -0.139 0.000 6.992 220 I HA -0.281 3.889 4.170 0.000 0.000 0.126 220 I C 0.087 176.160 176.117 -0.074 0.000 1.809 220 I CA 0.446 61.693 61.300 -0.088 0.000 2.121 220 I CB -2.190 35.779 38.000 -0.053 0.000 3.531 220 I HN 0.195 nan 8.210 nan 0.000 0.194 221 M N 2.315 121.837 119.600 -0.130 0.000 2.528 221 M HA 0.486 4.966 4.480 0.000 0.000 0.321 221 M C 0.724 176.919 176.300 -0.175 0.000 1.153 221 M CA -0.152 55.010 55.300 -0.231 0.000 0.951 221 M CB 0.778 33.193 32.600 -0.308 0.000 1.705 221 M HN 0.311 nan 8.290 nan 0.000 0.451 222 H N -0.378 118.661 119.070 -0.051 0.000 2.756 222 H HA -0.171 4.385 4.556 -0.000 0.000 0.315 222 H C -0.846 174.344 175.328 -0.230 0.000 1.210 222 H CA 0.730 56.629 56.048 -0.247 0.000 1.150 222 H CB -1.334 28.222 29.762 -0.343 0.000 1.463 222 H HN 0.618 nan 8.280 nan 0.000 0.427 223 D N 1.227 121.553 120.400 -0.122 0.000 2.551 223 D HA 0.384 5.024 4.640 0.000 0.000 0.223 223 D C -0.059 176.050 176.300 -0.319 0.000 1.144 223 D CA -0.024 53.914 54.000 -0.102 0.000 1.025 223 D CB -0.059 40.772 40.800 0.051 0.000 1.085 223 D HN 0.534 nan 8.370 nan 0.000 0.506 224 I N 0.942 121.257 120.570 -0.426 0.000 2.775 224 I HA 0.673 4.843 4.170 0.000 0.000 0.295 224 I C -1.898 174.044 176.117 -0.292 0.000 1.287 224 I CA -0.559 60.503 61.300 -0.397 0.000 1.029 224 I CB 1.742 39.381 38.000 -0.603 0.000 1.282 224 I HN 0.264 nan 8.210 nan 0.000 0.426 225 A N 6.907 129.684 122.820 -0.070 0.000 2.594 225 A HA 0.786 5.106 4.320 0.000 0.000 0.295 225 A C -2.158 175.582 177.584 0.260 0.000 1.071 225 A CA -0.543 51.574 52.037 0.133 0.000 0.685 225 A CB 1.701 20.714 19.000 0.022 0.000 1.285 225 A HN 0.629 nan 8.150 nan 0.000 0.405 226 L N 1.095 122.533 121.223 0.358 0.000 2.334 226 L HA 0.608 4.948 4.340 0.000 0.000 0.276 226 L C -0.968 176.006 176.870 0.172 0.000 1.014 226 L CA -0.579 54.421 54.840 0.266 0.000 0.815 226 L CB 1.728 43.935 42.059 0.247 0.000 1.268 226 L HN 0.617 nan 8.230 nan 0.000 0.428 227 L N 3.577 124.862 121.223 0.105 0.000 2.319 227 L HA 0.459 4.799 4.340 0.000 0.000 0.281 227 L C -0.219 176.574 176.870 -0.128 0.000 1.005 227 L CA -0.484 54.323 54.840 -0.054 0.000 0.828 227 L CB 1.629 43.624 42.059 -0.106 0.000 1.227 227 L HN 0.495 nan 8.230 nan 0.000 0.415 228 K N 4.488 124.734 120.400 -0.257 0.000 2.248 228 K HA 0.482 4.802 4.320 0.000 0.000 0.281 228 K C -0.504 175.874 176.600 -0.371 0.000 1.054 228 K CA -0.582 55.382 56.287 -0.538 0.000 0.903 228 K CB 0.838 33.020 32.500 -0.529 0.000 1.077 228 K HN 0.527 nan 8.250 nan 0.000 0.474 229 L N 3.650 124.664 121.223 -0.348 0.000 2.452 229 L HA 0.033 4.373 4.340 0.000 0.000 0.267 229 L C 1.604 178.362 176.870 -0.187 0.000 1.188 229 L CA -0.447 54.263 54.840 -0.217 0.000 0.821 229 L CB 0.342 42.308 42.059 -0.155 0.000 1.102 229 L HN 0.796 nan 8.230 nan 0.000 0.470 230 N N 2.274 120.896 118.700 -0.131 0.000 2.449 230 N HA -0.021 4.719 4.740 0.000 0.000 0.191 230 N C -0.054 175.411 175.510 -0.075 0.000 1.161 230 N CA -0.075 52.917 53.050 -0.096 0.000 0.863 230 N CB 0.193 38.640 38.487 -0.067 0.000 0.980 230 N HN 0.754 nan 8.380 nan 0.000 0.458 231 R N -2.957 117.496 120.500 -0.080 0.000 2.741 231 R HA 0.413 4.753 4.340 0.000 0.000 0.276 231 R C -1.475 174.787 176.300 -0.063 0.000 1.028 231 R CA -0.795 55.269 56.100 -0.061 0.000 0.865 231 R CB 0.079 30.354 30.300 -0.042 0.000 1.268 231 R HN -0.163 nan 8.270 nan 0.000 0.475 232 S N 0.377 116.045 115.700 -0.052 0.000 2.565 232 S HA 0.292 4.762 4.470 0.000 0.000 0.276 232 S C -0.315 174.262 174.600 -0.038 0.000 1.326 232 S CA -0.600 57.570 58.200 -0.050 0.000 1.045 232 S CB 1.270 64.434 63.200 -0.060 0.000 0.918 232 S HN 0.301 nan 8.310 nan 0.000 0.505 233 V N 6.639 126.542 119.914 -0.019 0.000 2.294 233 V HA 0.297 4.417 4.120 0.000 0.000 0.272 233 V C -1.937 174.156 176.094 -0.002 0.000 1.027 233 V CA -1.891 60.414 62.300 0.008 0.000 0.823 233 V CB 0.851 32.696 31.823 0.037 0.000 1.030 233 V HN 0.693 nan 8.190 nan 0.000 0.457 234 P HA 0.162 nan 4.420 nan 0.000 0.271 234 P C -0.484 176.840 177.300 0.040 0.000 1.216 234 P CA -0.284 62.743 63.100 -0.122 0.000 0.776 234 P CB 0.560 32.216 31.700 -0.072 0.000 0.881 235 F N 1.319 121.292 119.950 0.038 0.000 2.572 235 F HA 0.178 4.705 4.527 0.000 0.000 0.370 235 F C 1.413 177.236 175.800 0.039 0.000 1.103 235 F CA 0.456 58.473 58.000 0.028 0.000 1.286 235 F CB -0.552 38.459 39.000 0.019 0.000 1.105 235 F HN 0.338 nan 8.300 nan 0.000 0.583 236 Q N 1.281 121.229 119.800 0.247 0.000 2.668 236 Q HA 0.296 4.636 4.340 0.000 0.000 0.298 236 Q C 0.969 177.084 176.000 0.192 0.000 1.071 236 Q CA -1.082 54.845 55.803 0.206 0.000 0.789 236 Q CB 2.071 30.971 28.738 0.270 0.000 1.497 236 Q HN 0.568 nan 8.270 nan 0.000 0.460 237 K N 0.191 120.698 120.400 0.179 0.000 2.211 237 K HA -0.194 4.126 4.320 0.000 0.000 0.204 237 K C 1.086 177.771 176.600 0.141 0.000 1.047 237 K CA 2.017 58.372 56.287 0.114 0.000 0.935 237 K CB -0.076 32.450 32.500 0.044 0.000 0.728 237 K HN 0.694 nan 8.250 nan 0.000 0.452 238 H N -0.151 118.901 119.070 -0.030 0.000 2.672 238 H HA 0.406 4.962 4.556 0.000 0.000 0.277 238 H C -0.162 175.126 175.328 -0.066 0.000 1.074 238 H CA -0.858 55.152 56.048 -0.063 0.000 1.173 238 H CB -0.032 29.704 29.762 -0.044 0.000 1.558 238 H HN 0.123 nan 8.280 nan 0.000 0.539 239 I N 1.747 122.208 120.570 -0.181 0.000 2.503 239 I HA 0.362 4.532 4.170 0.000 0.000 0.282 239 I C -0.944 175.131 176.117 -0.069 0.000 1.059 239 I CA -0.369 60.814 61.300 -0.194 0.000 1.081 239 I CB 1.574 39.435 38.000 -0.232 0.000 1.210 239 I HN -0.049 nan 8.210 nan 0.000 0.450 240 K N 6.596 126.908 120.400 -0.147 0.000 2.556 240 K HA 0.540 4.860 4.320 0.000 0.000 0.274 240 K C -2.886 173.565 176.600 -0.248 0.000 0.966 240 K CA -1.640 54.434 56.287 -0.355 0.000 0.865 240 K CB 3.181 35.554 32.500 -0.212 0.000 1.444 240 K HN 0.160 nan 8.250 nan 0.000 0.433 241 P HA 0.234 nan 4.420 nan 0.000 0.276 241 P C -0.649 176.524 177.300 -0.211 0.000 1.244 241 P CA -0.453 62.488 63.100 -0.265 0.000 0.801 241 P CB 0.929 32.410 31.700 -0.364 0.000 1.006 242 I N 1.043 121.423 120.570 -0.317 0.000 2.713 242 I HA 0.180 4.350 4.170 0.000 0.000 0.300 242 I C 0.099 175.848 176.117 -0.613 0.000 1.009 242 I CA -0.445 60.340 61.300 -0.859 0.000 1.305 242 I CB 0.800 38.143 38.000 -1.096 0.000 1.430 242 I HN 0.353 nan 8.210 nan 0.000 0.546 243 c N 5.949 124.127 118.600 -0.703 0.000 2.500 243 c HA 0.474 5.044 4.570 0.000 0.000 0.367 243 c C 0.203 173.992 174.090 -0.501 0.000 1.283 243 c CA -0.601 55.333 56.329 -0.658 0.000 2.456 243 c CB 0.464 42.384 42.510 -0.982 0.000 2.457 243 c HN 0.540 nan 8.230 nan 0.000 0.632 244 L N 2.552 123.539 121.223 -0.393 0.000 2.319 244 L HA 0.437 4.777 4.340 0.000 0.000 0.267 244 L C -2.057 174.713 176.870 -0.166 0.000 1.011 244 L CA -1.574 53.077 54.840 -0.315 0.000 0.818 244 L CB 1.911 43.755 42.059 -0.357 0.000 1.316 244 L HN 0.433 nan 8.230 nan 0.000 0.432 245 P HA 0.090 nan 4.420 nan 0.000 0.237 245 P C 0.714 178.060 177.300 0.076 0.000 1.788 245 P CA 0.003 63.066 63.100 -0.061 0.000 1.061 245 P CB -0.412 31.251 31.700 -0.061 0.000 1.967 246 I N -0.006 120.625 120.570 0.101 0.000 3.291 246 I HA 0.051 4.222 4.170 0.000 0.000 0.279 246 I C 0.425 176.671 176.117 0.216 0.000 1.294 246 I CA 0.165 61.583 61.300 0.197 0.000 1.428 246 I CB -0.531 37.585 38.000 0.193 0.000 1.070 246 I HN 0.046 nan 8.210 nan 0.000 0.478 247 T N -3.119 111.504 114.554 0.115 0.000 2.949 247 T HA 0.338 4.688 4.350 0.000 0.000 0.287 247 T C 0.441 175.188 174.700 0.079 0.000 1.034 247 T CA -0.568 61.568 62.100 0.061 0.000 1.018 247 T CB 2.017 70.892 68.868 0.010 0.000 1.135 247 T HN -0.041 nan 8.240 nan 0.000 0.532 248 D N 0.505 120.929 120.400 0.040 0.000 2.117 248 D HA -0.069 4.571 4.640 0.000 0.000 0.197 248 D C 1.842 178.181 176.300 0.065 0.000 0.987 248 D CA 1.288 55.316 54.000 0.047 0.000 0.829 248 D CB -0.101 40.710 40.800 0.018 0.000 0.961 248 D HN 0.658 nan 8.370 nan 0.000 0.460 249 E N 0.401 120.635 120.200 0.057 0.000 2.085 249 E HA -0.097 4.253 4.350 0.000 0.000 0.194 249 E C 2.335 179.001 176.600 0.111 0.000 0.994 249 E CA 0.422 56.860 56.400 0.065 0.000 0.801 249 E CB -0.430 29.299 29.700 0.049 0.000 0.743 249 E HN 0.310 nan 8.360 nan 0.000 0.453 250 L N 0.347 121.657 121.223 0.145 0.000 2.109 250 L HA -0.130 4.210 4.340 0.000 0.000 0.207 250 L C 2.155 179.217 176.870 0.321 0.000 1.086 250 L CA 1.144 56.138 54.840 0.256 0.000 0.760 250 L CB -0.255 41.925 42.059 0.201 0.000 0.910 250 L HN 0.071 nan 8.230 nan 0.000 0.437 251 K N 0.130 120.659 120.400 0.215 0.000 2.057 251 K HA -0.195 4.125 4.320 0.000 0.000 0.207 251 K C 1.972 178.673 176.600 0.169 0.000 1.049 251 K CA 1.460 57.871 56.287 0.207 0.000 0.931 251 K CB -0.090 32.503 32.500 0.155 0.000 0.714 251 K HN 0.321 nan 8.250 nan 0.000 0.440 252 E N 0.766 121.038 120.200 0.119 0.000 2.150 252 E HA -0.150 4.201 4.350 0.000 0.000 0.193 252 E C 1.877 178.506 176.600 0.048 0.000 0.985 252 E CA 0.794 57.236 56.400 0.071 0.000 0.814 252 E CB 0.114 29.844 29.700 0.049 0.000 0.752 252 E HN 0.167 nan 8.360 nan 0.000 0.466 253 K N 0.718 121.159 120.400 0.068 0.000 2.147 253 K HA -0.137 4.183 4.320 0.000 0.000 0.205 253 K C 2.083 178.570 176.600 -0.188 0.000 1.049 253 K CA 0.876 57.144 56.287 -0.032 0.000 0.936 253 K CB -0.070 32.445 32.500 0.026 0.000 0.722 253 K HN 0.085 nan 8.250 nan 0.000 0.446 254 A N 1.554 124.314 122.820 -0.101 0.000 1.927 254 A HA -0.230 4.090 4.320 0.000 0.000 0.220 254 A C 1.660 179.217 177.584 -0.045 0.000 1.185 254 A CA 1.929 53.896 52.037 -0.117 0.000 0.639 254 A CB -0.419 18.687 19.000 0.176 0.000 0.820 254 A HN 0.480 nan 8.150 nan 0.000 0.451 255 E N -0.936 119.252 120.200 -0.020 0.000 2.478 255 E HA -0.040 4.310 4.350 0.000 0.000 0.194 255 E C 1.701 178.270 176.600 -0.051 0.000 1.045 255 E CA 0.365 56.758 56.400 -0.012 0.000 0.868 255 E CB 0.056 29.760 29.700 0.008 0.000 0.885 255 E HN 0.777 nan 8.360 nan 0.000 0.505 256 Q N 0.023 119.766 119.800 -0.096 0.000 2.384 256 Q HA 0.164 4.504 4.340 0.000 0.000 0.207 256 Q C 0.464 176.357 176.000 -0.178 0.000 0.904 256 Q CA 0.090 55.827 55.803 -0.110 0.000 0.933 256 Q CB 0.730 29.414 28.738 -0.090 0.000 1.077 256 Q HN 0.212 nan 8.270 nan 0.000 0.522 257 I N 1.838 122.237 120.570 -0.285 0.000 2.471 257 I HA -0.067 4.103 4.170 0.000 0.000 0.286 257 I C 1.311 177.209 176.117 -0.365 0.000 1.079 257 I CA -0.058 60.971 61.300 -0.452 0.000 1.398 257 I CB 1.327 38.796 38.000 -0.886 0.000 1.403 257 I HN 0.163 nan 8.210 nan 0.000 0.530 258 S N 2.794 118.312 115.700 -0.303 0.000 2.421 258 S HA 0.055 4.525 4.470 0.000 0.000 0.224 258 S C 0.770 175.245 174.600 -0.208 0.000 1.035 258 S CA 0.235 58.316 58.200 -0.200 0.000 0.953 258 S CB 0.118 63.231 63.200 -0.145 0.000 0.810 258 S HN 0.643 nan 8.310 nan 0.000 0.497 259 T N 1.510 115.871 114.554 -0.321 0.000 2.848 259 T HA 0.628 4.979 4.350 0.000 0.000 0.285 259 T C -1.671 172.757 174.700 -0.453 0.000 0.995 259 T CA -0.407 61.527 62.100 -0.277 0.000 0.970 259 T CB 1.251 69.981 68.868 -0.230 0.000 0.976 259 T HN 0.227 nan 8.240 nan 0.000 0.441 260 Y N 0.731 120.891 120.300 -0.233 0.000 2.567 260 Y HA 0.653 5.203 4.550 0.000 0.000 0.333 260 Y C -0.293 175.486 175.900 -0.202 0.000 1.106 260 Y CA -1.412 56.547 58.100 -0.235 0.000 1.157 260 Y CB 1.091 39.450 38.460 -0.168 0.000 1.277 260 Y HN 0.526 nan 8.280 nan 0.000 0.490 261 F N 1.233 121.277 119.950 0.157 0.000 2.420 261 F HA 0.423 4.950 4.527 0.000 0.000 0.352 261 F C -0.200 175.658 175.800 0.096 0.000 1.108 261 F CA -0.871 57.182 58.000 0.090 0.000 1.162 261 F CB 0.703 39.731 39.000 0.047 0.000 1.118 261 F HN -0.047 nan 8.300 nan 0.000 0.510 262 V N 3.799 123.876 119.914 0.271 0.000 2.334 262 V HA 0.444 4.564 4.120 0.000 0.000 0.281 262 V C -0.229 175.946 176.094 0.136 0.000 1.016 262 V CA -0.346 62.065 62.300 0.185 0.000 0.832 262 V CB 1.329 33.246 31.823 0.156 0.000 0.999 262 V HN 0.826 nan 8.190 nan 0.000 0.439 263 T N 3.279 117.889 114.554 0.092 0.000 2.876 263 T HA 0.913 5.263 4.350 0.000 0.000 0.289 263 T C 0.237 174.887 174.700 -0.083 0.000 1.014 263 T CA -0.001 62.083 62.100 -0.028 0.000 0.986 263 T CB 1.993 70.835 68.868 -0.043 0.000 1.021 263 T HN 1.134 nan 8.240 nan 0.000 0.458 264 G N 0.568 109.212 108.800 -0.260 0.000 2.350 264 G HA2 0.202 4.162 3.960 0.000 0.000 0.276 264 G HA3 0.202 4.162 3.960 0.000 0.000 0.276 264 G C -1.290 173.375 174.900 -0.392 0.000 1.313 264 G CA -0.783 44.141 45.100 -0.294 0.000 0.903 264 G HN 0.635 nan 8.290 nan 0.000 0.490 265 W N 1.021 122.294 121.300 -0.045 0.000 2.991 265 W HA 0.411 5.071 4.660 -0.000 0.000 0.391 265 W C 1.403 177.908 176.519 -0.023 0.000 1.054 265 W CA 0.246 57.562 57.345 -0.048 0.000 1.856 265 W CB 0.766 30.191 29.460 -0.059 0.000 1.132 265 W HN 1.820 nan 8.180 nan 0.000 0.601 266 G N 2.059 110.950 108.800 0.151 0.000 2.273 266 G HA2 -0.280 3.680 3.960 0.000 0.000 0.280 266 G HA3 -0.280 3.680 3.960 0.000 0.000 0.280 266 G C 0.106 175.078 174.900 0.120 0.000 1.047 266 G CA 0.448 45.605 45.100 0.095 0.000 0.869 266 G HN 0.061 nan 8.290 nan 0.000 0.502 267 T N 1.855 116.504 114.554 0.159 0.000 2.978 267 T HA 0.459 4.809 4.350 0.000 0.000 0.278 267 T C 1.223 175.985 174.700 0.104 0.000 0.945 267 T CA 0.552 62.736 62.100 0.140 0.000 1.070 267 T CB 0.477 69.439 68.868 0.158 0.000 0.948 267 T HN 0.873 nan 8.240 nan 0.000 0.617 268 T N -0.164 114.436 114.554 0.076 0.000 2.867 268 T HA 0.233 4.583 4.350 0.000 0.000 0.286 268 T C 1.579 176.301 174.700 0.037 0.000 1.022 268 T CA -0.818 61.312 62.100 0.051 0.000 0.933 268 T CB 0.784 69.671 68.868 0.031 0.000 1.280 268 T HN 0.586 nan 8.240 nan 0.000 0.566 269 E N 0.480 120.687 120.200 0.011 0.000 2.331 269 E HA -0.174 4.176 4.350 0.000 0.000 0.199 269 E C 1.005 177.593 176.600 -0.019 0.000 1.008 269 E CA 0.969 57.353 56.400 -0.026 0.000 0.843 269 E CB -0.393 29.289 29.700 -0.031 0.000 0.761 269 E HN 0.505 nan 8.360 nan 0.000 0.507 270 N N 0.802 119.510 118.700 0.013 0.000 2.280 270 N HA 0.160 4.900 4.740 0.000 0.000 0.192 270 N C 0.513 176.050 175.510 0.045 0.000 1.109 270 N CA 0.916 53.985 53.050 0.031 0.000 0.855 270 N CB 1.335 39.843 38.487 0.034 0.000 0.974 270 N HN 0.345 nan 8.380 nan 0.000 0.482 271 G N -0.145 108.686 108.800 0.051 0.000 2.462 271 G HA2 -0.159 3.801 3.960 0.000 0.000 0.685 271 G HA3 -0.159 3.801 3.960 0.000 0.000 0.685 271 G C -1.112 173.843 174.900 0.092 0.000 1.295 271 G CA -0.860 44.287 45.100 0.078 0.000 0.941 271 G HN 0.060 nan 8.290 nan 0.000 0.554 272 S N -0.083 115.685 115.700 0.113 0.000 2.528 272 S HA 0.474 4.944 4.470 0.000 0.000 0.277 272 S C 1.586 176.252 174.600 0.110 0.000 1.297 272 S CA 0.322 58.602 58.200 0.133 0.000 1.052 272 S CB 1.475 64.767 63.200 0.154 0.000 0.917 272 S HN 1.764 nan 8.310 nan 0.000 0.492 273 S N 1.306 117.066 115.700 0.100 0.000 2.528 273 S HA 0.128 4.598 4.470 0.000 0.000 0.219 273 S C 0.682 175.328 174.600 0.076 0.000 0.985 273 S CA -0.253 57.989 58.200 0.070 0.000 0.914 273 S CB 0.135 63.361 63.200 0.043 0.000 0.776 273 S HN 0.486 nan 8.310 nan 0.000 0.526 274 S N 0.489 116.261 115.700 0.120 0.000 2.532 274 S HA 0.411 4.881 4.470 0.000 0.000 0.299 274 S C 0.002 174.730 174.600 0.212 0.000 1.105 274 S CA -0.564 57.711 58.200 0.124 0.000 1.018 274 S CB 1.787 65.030 63.200 0.072 0.000 1.021 274 S HN 0.191 nan 8.310 nan 0.000 0.483 275 D N 2.880 123.376 120.400 0.160 0.000 2.269 275 D HA 0.030 4.670 4.640 0.000 0.000 0.208 275 D C 0.397 176.849 176.300 0.253 0.000 0.963 275 D CA 0.815 54.919 54.000 0.173 0.000 0.864 275 D CB 0.318 41.181 40.800 0.104 0.000 0.936 275 D HN 0.255 nan 8.370 nan 0.000 0.505 276 V N 0.693 120.710 119.914 0.173 0.000 2.715 276 V HA 0.360 4.480 4.120 0.000 0.000 0.310 276 V C -0.744 175.155 176.094 -0.324 0.000 1.054 276 V CA -1.156 61.131 62.300 -0.023 0.000 0.928 276 V CB 1.735 33.503 31.823 -0.091 0.000 1.007 276 V HN 0.034 nan 8.190 nan 0.000 0.437 277 L N 6.942 127.718 121.223 -0.745 0.000 2.499 277 L HA 0.343 4.683 4.340 0.000 0.000 0.273 277 L C -0.576 175.952 176.870 -0.570 0.000 1.195 277 L CA 1.143 55.302 54.840 -1.135 0.000 0.882 277 L CB -0.211 41.245 42.059 -1.005 0.000 1.133 277 L HN 0.586 nan 8.230 nan 0.000 0.483 278 L N 4.528 125.469 121.223 -0.470 0.000 2.303 278 L HA 0.658 4.998 4.340 0.000 0.000 0.256 278 L C -0.787 175.995 176.870 -0.147 0.000 1.034 278 L CA -0.863 53.857 54.840 -0.199 0.000 0.832 278 L CB 2.097 44.084 42.059 -0.120 0.000 1.403 278 L HN 0.640 nan 8.230 nan 0.000 0.419 279 Q N 0.585 120.391 119.800 0.010 0.000 2.353 279 Q HA 0.777 5.117 4.340 0.000 0.000 0.275 279 Q C -2.058 174.094 176.000 0.255 0.000 1.029 279 Q CA -0.522 55.322 55.803 0.069 0.000 0.848 279 Q CB 2.818 31.551 28.738 -0.008 0.000 1.390 279 Q HN 0.769 nan 8.270 nan 0.000 0.401 280 A N 2.839 125.819 122.820 0.266 0.000 2.469 280 A HA 0.704 5.024 4.320 0.000 0.000 0.299 280 A C -1.365 176.378 177.584 0.264 0.000 1.098 280 A CA -0.859 51.381 52.037 0.337 0.000 0.737 280 A CB 1.528 20.701 19.000 0.289 0.000 1.312 280 A HN 0.756 nan 8.150 nan 0.000 0.414 281 N N 0.752 119.567 118.700 0.192 0.000 2.439 281 N HA 0.465 5.205 4.740 0.000 0.000 0.249 281 N C -1.157 174.390 175.510 0.061 0.000 1.003 281 N CA 0.036 53.129 53.050 0.071 0.000 0.942 281 N CB 1.547 40.037 38.487 0.005 0.000 1.115 281 N HN 0.331 nan 8.380 nan 0.000 0.505 282 V N 4.355 124.299 119.914 0.050 0.000 2.604 282 V HA 0.477 4.597 4.120 0.000 0.000 0.305 282 V C -2.095 174.021 176.094 0.036 0.000 1.043 282 V CA -1.700 60.632 62.300 0.055 0.000 0.888 282 V CB 2.557 34.424 31.823 0.074 0.000 0.995 282 V HN 0.499 nan 8.190 nan 0.000 0.429 283 P HA 0.262 nan 4.420 nan 0.000 0.278 283 P C -0.729 176.595 177.300 0.040 0.000 1.238 283 P CA -0.473 62.636 63.100 0.015 0.000 0.794 283 P CB 1.485 33.186 31.700 0.003 0.000 0.955 284 L N 3.040 124.298 121.223 0.059 0.000 2.380 284 L HA 0.174 4.514 4.340 0.000 0.000 0.273 284 L C 0.244 177.130 176.870 0.027 0.000 1.138 284 L CA 0.635 55.514 54.840 0.065 0.000 0.832 284 L CB 0.079 42.206 42.059 0.112 0.000 1.124 284 L HN 0.293 nan 8.230 nan 0.000 0.454 285 Q N 5.201 125.017 119.800 0.026 0.000 2.297 285 Q HA 0.562 4.902 4.340 0.000 0.000 0.269 285 Q C -2.354 173.661 176.000 0.026 0.000 1.051 285 Q CA -1.974 53.845 55.803 0.026 0.000 0.869 285 Q CB 1.028 29.789 28.738 0.039 0.000 1.346 285 Q HN 0.468 nan 8.270 nan 0.000 0.457 286 P HA 0.177 nan 4.420 nan 0.000 0.271 286 P C 0.294 177.613 177.300 0.032 0.000 1.218 286 P CA -0.024 63.089 63.100 0.021 0.000 0.780 286 P CB 0.792 32.502 31.700 0.016 0.000 0.901 287 R N 1.132 121.650 120.500 0.030 0.000 2.127 287 R HA -0.136 4.204 4.340 0.000 0.000 0.238 287 R C 2.229 178.556 176.300 0.045 0.000 1.134 287 R CA 1.974 58.097 56.100 0.038 0.000 0.975 287 R CB -0.700 29.617 30.300 0.028 0.000 0.865 287 R HN 0.660 nan 8.270 nan 0.000 0.447 288 S N 0.643 116.364 115.700 0.035 0.000 2.402 288 S HA -0.174 4.296 4.470 0.000 0.000 0.233 288 S C 2.188 176.814 174.600 0.042 0.000 1.030 288 S CA 1.107 59.328 58.200 0.034 0.000 1.003 288 S CB -0.203 63.010 63.200 0.022 0.000 0.813 288 S HN 0.391 nan 8.310 nan 0.000 0.477 289 A N 0.653 123.500 122.820 0.046 0.000 1.902 289 A HA -0.058 4.262 4.320 0.000 0.000 0.217 289 A C 2.500 180.132 177.584 0.079 0.000 1.181 289 A CA 1.534 53.599 52.037 0.048 0.000 0.623 289 A CB -1.412 17.616 19.000 0.047 0.000 0.818 289 A HN 0.716 nan 8.150 nan 0.000 0.443 290 c N -0.365 118.315 118.600 0.133 0.000 2.486 290 c HA -0.014 4.556 4.570 0.000 0.000 0.279 290 c C 3.405 177.654 174.090 0.265 0.000 1.302 290 c CA 1.072 57.564 56.329 0.271 0.000 1.720 290 c CB -0.988 41.664 42.510 0.236 0.000 2.030 290 c HN 0.803 nan 8.230 nan 0.000 0.490 291 S N 0.797 116.580 115.700 0.138 0.000 2.382 291 S HA -0.259 4.211 4.470 0.000 0.000 0.228 291 S C 1.677 176.328 174.600 0.084 0.000 1.027 291 S CA 1.482 59.744 58.200 0.104 0.000 0.991 291 S CB -0.610 62.624 63.200 0.057 0.000 0.823 291 S HN 0.748 nan 8.310 nan 0.000 0.469 292 Q N 1.008 120.840 119.800 0.054 0.000 2.083 292 Q HA 0.121 4.461 4.340 0.000 0.000 0.198 292 Q C 2.669 178.661 176.000 -0.014 0.000 0.969 292 Q CA 1.297 57.112 55.803 0.019 0.000 0.838 292 Q CB -0.486 28.256 28.738 0.006 0.000 0.900 292 Q HN 0.767 nan 8.270 nan 0.000 0.436 293 A N -0.041 122.751 122.820 -0.048 0.000 1.930 293 A HA -0.153 4.167 4.320 0.000 0.000 0.217 293 A C 1.311 178.698 177.584 -0.328 0.000 1.175 293 A CA 1.172 53.081 52.037 -0.215 0.000 0.627 293 A CB -0.470 18.336 19.000 -0.324 0.000 0.815 293 A HN 0.405 nan 8.150 nan 0.000 0.443 294 Y N -1.889 118.410 120.300 -0.001 0.000 2.462 294 Y HA 0.273 4.823 4.550 -0.000 0.000 0.261 294 Y C 0.716 176.614 175.900 -0.002 0.000 1.146 294 Y CA 0.119 58.217 58.100 -0.004 0.000 1.283 294 Y CB 0.176 38.633 38.460 -0.005 0.000 1.090 294 Y HN 0.262 nan 8.280 nan 0.000 0.526 295 R N 1.354 121.913 120.500 0.100 0.000 3.416 295 R HA -0.209 4.131 4.340 0.000 0.000 0.263 295 R C -0.681 175.661 176.300 0.071 0.000 1.053 295 R CA 0.777 56.914 56.100 0.062 0.000 0.705 295 R CB -1.893 28.427 30.300 0.034 0.000 1.124 295 R HN 0.466 nan 8.270 nan 0.000 0.444 296 R N -1.660 118.892 120.500 0.086 0.000 2.707 296 R HA 0.734 5.074 4.340 0.000 0.000 0.272 296 R C -0.850 175.472 176.300 0.036 0.000 1.011 296 R CA -0.534 55.599 56.100 0.055 0.000 0.893 296 R CB 1.426 31.763 30.300 0.061 0.000 1.233 296 R HN 0.053 nan 8.270 nan 0.000 0.464 297 A N 1.617 124.441 122.820 0.006 0.000 2.445 297 A HA 0.405 4.725 4.320 0.000 0.000 0.242 297 A C -0.099 177.477 177.584 -0.015 0.000 1.075 297 A CA -0.389 51.645 52.037 -0.004 0.000 0.777 297 A CB 0.579 19.567 19.000 -0.019 0.000 1.013 297 A HN 0.414 nan 8.150 nan 0.000 0.493 298 V N 5.729 125.638 119.914 -0.007 0.000 2.313 298 V HA 0.338 4.458 4.120 0.000 0.000 0.278 298 V C -1.799 174.285 176.094 -0.017 0.000 1.017 298 V CA -1.041 61.250 62.300 -0.015 0.000 0.823 298 V CB 0.990 32.817 31.823 0.007 0.000 1.010 298 V HN 0.938 nan 8.190 nan 0.000 0.443 299 P HA 0.318 nan 4.420 nan 0.000 0.277 299 P C 1.019 178.315 177.300 -0.006 0.000 1.271 299 P CA -0.501 62.585 63.100 -0.024 0.000 0.795 299 P CB 1.499 33.172 31.700 -0.045 0.000 1.101 300 L N 0.171 121.394 121.223 0.001 0.000 2.265 300 L HA -0.148 4.192 4.340 0.000 0.000 0.215 300 L C 2.346 179.233 176.870 0.028 0.000 1.117 300 L CA 1.820 56.668 54.840 0.014 0.000 0.782 300 L CB -0.914 41.151 42.059 0.010 0.000 0.914 300 L HN 0.464 nan 8.230 nan 0.000 0.441 301 S N -1.619 114.096 115.700 0.025 0.000 2.595 301 S HA -0.045 4.425 4.470 0.000 0.000 0.235 301 S C 0.721 175.396 174.600 0.125 0.000 0.974 301 S CA 0.218 58.468 58.200 0.083 0.000 0.942 301 S CB -0.133 63.122 63.200 0.091 0.000 0.766 301 S HN 0.482 nan 8.310 nan 0.000 0.536 302 Q N 0.042 119.877 119.800 0.057 0.000 2.387 302 Q HA 0.707 5.047 4.340 0.000 0.000 0.273 302 Q C -1.304 174.728 176.000 0.053 0.000 1.089 302 Q CA -0.730 55.103 55.803 0.050 0.000 0.824 302 Q CB 2.150 30.887 28.738 -0.003 0.000 1.367 302 Q HN 0.297 nan 8.270 nan 0.000 0.443 303 L N 0.336 121.600 121.223 0.069 0.000 2.342 303 L HA 0.598 4.938 4.340 0.000 0.000 0.271 303 L C -0.905 176.006 176.870 0.068 0.000 1.008 303 L CA -1.005 53.861 54.840 0.044 0.000 0.818 303 L CB 1.940 43.988 42.059 -0.017 0.000 1.296 303 L HN 0.621 nan 8.230 nan 0.000 0.427 304 c N 3.267 121.896 118.600 0.048 0.000 2.298 304 c HA 0.798 5.368 4.570 0.000 0.000 0.323 304 c C -0.269 173.852 174.090 0.053 0.000 1.284 304 c CA -0.295 56.083 56.329 0.081 0.000 1.577 304 c CB 0.423 42.980 42.510 0.078 0.000 2.249 304 c HN 0.547 nan 8.230 nan 0.000 0.497 305 V N 7.124 127.092 119.914 0.091 0.000 2.709 305 V HA 0.861 4.981 4.120 0.000 0.000 0.308 305 V C 0.918 177.067 176.094 0.091 0.000 1.062 305 V CA 0.825 63.137 62.300 0.020 0.000 0.901 305 V CB 1.130 32.812 31.823 -0.235 0.000 1.003 305 V HN 1.486 nan 8.190 nan 0.000 0.425 306 G N 3.272 112.108 108.800 0.059 0.000 2.566 306 G HA2 0.321 4.281 3.960 0.000 0.000 0.280 306 G HA3 0.321 4.281 3.960 0.000 0.000 0.280 306 G C 0.659 175.602 174.900 0.072 0.000 1.225 306 G CA 0.089 45.232 45.100 0.071 0.000 0.966 306 G HN 2.706 nan 8.290 nan 0.000 0.560 307 G N -2.331 106.513 108.800 0.072 0.000 2.730 307 G HA2 0.519 4.479 3.960 0.000 0.000 0.686 307 G HA3 0.519 4.479 3.960 0.000 0.000 0.686 307 G C 1.638 176.559 174.900 0.036 0.000 1.343 307 G CA 0.927 46.060 45.100 0.054 0.000 0.826 307 G HN 3.156 nan 8.290 nan 0.000 0.582 308 G N -0.532 108.281 108.800 0.023 0.000 2.198 308 G HA2 0.228 4.188 3.960 0.000 0.000 0.260 308 G HA3 0.228 4.188 3.960 0.000 0.000 0.260 308 G C 0.176 175.090 174.900 0.023 0.000 1.025 308 G CA 1.486 46.596 45.100 0.016 0.000 0.769 308 G HN 2.510 nan 8.290 nan 0.000 0.507 309 D N -1.949 118.468 120.400 0.029 0.000 2.566 309 D HA 0.665 5.305 4.640 0.000 0.000 0.254 309 D C 1.000 177.316 176.300 0.027 0.000 1.090 309 D CA -1.055 52.966 54.000 0.035 0.000 1.034 309 D CB 0.557 41.386 40.800 0.050 0.000 1.434 309 D HN 0.009 nan 8.370 nan 0.000 0.509 310 L N -1.294 119.946 121.223 0.028 0.000 2.575 310 L HA 0.214 4.554 4.340 0.000 0.000 0.228 310 L C 1.175 178.040 176.870 -0.007 0.000 1.075 310 L CA 0.196 55.045 54.840 0.015 0.000 0.867 310 L CB 0.140 42.213 42.059 0.023 0.000 1.097 310 L HN 0.368 nan 8.230 nan 0.000 0.485 311 Q N -1.195 118.596 119.800 -0.014 0.000 2.081 311 Q HA 0.106 4.446 4.340 0.000 0.000 0.220 311 Q C 0.147 176.006 176.000 -0.234 0.000 0.775 311 Q CA 0.225 55.954 55.803 -0.124 0.000 0.983 311 Q CB 1.408 30.090 28.738 -0.092 0.000 1.188 311 Q HN 0.279 nan 8.270 nan 0.000 0.458 312 D N -0.192 120.175 120.400 -0.054 0.000 2.652 312 D HA 0.054 4.694 4.640 0.000 0.000 0.261 312 D C 1.659 177.968 176.300 0.015 0.000 1.024 312 D CA 0.824 54.829 54.000 0.007 0.000 0.958 312 D CB 0.046 40.926 40.800 0.134 0.000 1.113 312 D HN -0.115 nan 8.370 nan 0.000 0.471 313 S N 0.393 116.119 115.700 0.045 0.000 2.419 313 S HA -0.153 4.317 4.470 0.000 0.000 0.233 313 S C 2.223 176.862 174.600 0.065 0.000 1.016 313 S CA 1.193 59.441 58.200 0.079 0.000 0.974 313 S CB -0.482 62.772 63.200 0.090 0.000 0.786 313 S HN 0.578 nan 8.310 nan 0.000 0.492 314 c N 1.517 120.124 118.600 0.013 0.000 2.491 314 c HA 0.252 4.822 4.570 0.000 0.000 0.277 314 c C 2.065 176.147 174.090 -0.014 0.000 1.455 314 c CA -0.409 55.921 56.329 0.001 0.000 1.758 314 c CB -0.848 41.649 42.510 -0.021 0.000 1.745 314 c HN 0.263 nan 8.230 nan 0.000 0.558 315 K N 1.774 122.150 120.400 -0.039 0.000 2.211 315 K HA 0.088 4.408 4.320 0.000 0.000 0.203 315 K C 1.400 177.998 176.600 -0.003 0.000 1.050 315 K CA 1.046 57.296 56.287 -0.062 0.000 0.945 315 K CB -0.655 31.780 32.500 -0.107 0.000 0.732 315 K HN 0.671 nan 8.250 nan 0.000 0.451 316 G N 1.531 110.362 108.800 0.053 0.000 2.667 316 G HA2 0.062 4.023 3.960 0.000 0.000 0.250 316 G HA3 0.062 4.023 3.960 0.000 0.000 0.250 316 G C -0.494 174.461 174.900 0.091 0.000 1.212 316 G CA -0.407 44.746 45.100 0.088 0.000 0.874 316 G HN 0.030 nan 8.290 nan 0.000 0.561 317 D N -0.623 119.847 120.400 0.116 0.000 2.181 317 D HA 0.315 4.955 4.640 0.000 0.000 0.248 317 D C 0.121 176.478 176.300 0.094 0.000 1.020 317 D CA -0.196 53.882 54.000 0.130 0.000 0.891 317 D CB 1.766 42.676 40.800 0.184 0.000 1.187 317 D HN 0.252 nan 8.370 nan 0.000 0.443 318 S N 0.134 115.894 115.700 0.100 0.000 2.546 318 S HA 0.316 4.786 4.470 0.000 0.000 0.290 318 S C 1.335 175.994 174.600 0.099 0.000 1.262 318 S CA 0.892 59.173 58.200 0.135 0.000 1.083 318 S CB -0.210 63.110 63.200 0.200 0.000 0.859 318 S HN 0.688 nan 8.310 nan 0.000 0.495 319 G N 3.382 112.204 108.800 0.036 0.000 2.179 319 G HA2 -0.193 3.767 3.960 0.000 0.000 0.260 319 G HA3 -0.193 3.767 3.960 0.000 0.000 0.260 319 G C 0.540 175.440 174.900 0.001 0.000 0.977 319 G CA 0.114 45.170 45.100 -0.073 0.000 0.641 319 G HN 1.219 nan 8.290 nan 0.000 0.533 320 G N 0.516 109.346 108.800 0.049 0.000 2.599 320 G HA2 0.611 4.571 3.960 0.000 0.000 0.264 320 G HA3 0.611 4.571 3.960 0.000 0.000 0.264 320 G C -1.701 173.271 174.900 0.119 0.000 1.200 320 G CA -0.293 44.865 45.100 0.097 0.000 0.896 320 G HN 0.324 nan 8.290 nan 0.000 0.536 321 P HA 0.261 nan 4.420 nan 0.000 0.276 321 P C -0.943 176.475 177.300 0.197 0.000 1.244 321 P CA -0.545 62.640 63.100 0.142 0.000 0.801 321 P CB 1.696 33.463 31.700 0.111 0.000 1.006 322 L N 2.607 123.923 121.223 0.155 0.000 2.298 322 L HA 0.372 4.712 4.340 0.000 0.000 0.284 322 L C -0.105 176.826 176.870 0.101 0.000 1.013 322 L CA -0.084 54.766 54.840 0.015 0.000 0.824 322 L CB 0.829 42.671 42.059 -0.362 0.000 1.221 322 L HN 0.415 nan 8.230 nan 0.000 0.418 323 Q N 4.671 124.622 119.800 0.252 0.000 2.423 323 Q HA 0.984 5.324 4.340 0.000 0.000 0.278 323 Q C -1.698 174.596 176.000 0.491 0.000 1.097 323 Q CA -1.097 54.903 55.803 0.329 0.000 0.809 323 Q CB 2.561 31.392 28.738 0.155 0.000 1.391 323 Q HN 0.739 nan 8.270 nan 0.000 0.428 324 A N 1.697 124.783 122.820 0.445 0.000 2.589 324 A HA 0.719 5.039 4.320 0.000 0.000 0.296 324 A C -2.913 174.819 177.584 0.246 0.000 1.062 324 A CA -1.324 50.864 52.037 0.251 0.000 0.686 324 A CB 1.739 20.717 19.000 -0.036 0.000 1.282 324 A HN 0.626 nan 8.150 nan 0.000 0.404 325 P HA 0.543 nan 4.420 nan 0.000 0.275 325 P C -0.305 177.128 177.300 0.223 0.000 1.228 325 P CA 0.205 63.453 63.100 0.248 0.000 0.786 325 P CB 1.559 33.510 31.700 0.419 0.000 0.927 326 A N 1.363 124.321 122.820 0.230 0.000 2.586 326 A HA 0.456 4.777 4.320 0.000 0.000 0.290 326 A C -1.075 176.614 177.584 0.176 0.000 1.086 326 A CA -0.549 51.613 52.037 0.208 0.000 0.665 326 A CB 0.882 20.086 19.000 0.340 0.000 1.279 326 A HN 0.383 nan 8.150 nan 0.000 0.423 327 Q N 0.539 120.424 119.800 0.142 0.000 2.307 327 Q HA 0.388 4.729 4.340 0.000 0.000 0.261 327 Q C -1.623 174.480 176.000 0.172 0.000 1.051 327 Q CA 0.583 56.456 55.803 0.118 0.000 0.911 327 Q CB -0.095 28.683 28.738 0.067 0.000 1.227 327 Q HN 0.582 nan 8.270 nan 0.000 0.418 328 Y N 6.648 126.973 120.300 0.043 0.000 2.369 328 Y HA 0.358 4.908 4.550 0.000 0.000 0.337 328 Y C 0.238 176.169 175.900 0.051 0.000 0.961 328 Y CA -0.449 57.674 58.100 0.038 0.000 1.186 328 Y CB 0.133 38.606 38.460 0.021 0.000 1.139 328 Y HN 0.859 nan 8.280 nan 0.000 0.494 329 L N 3.085 124.143 121.223 -0.276 0.000 6.223 329 L HA -0.368 3.972 4.340 0.000 0.000 0.053 329 L C 1.423 178.271 176.870 -0.037 0.000 2.244 329 L CA 1.436 56.152 54.840 -0.206 0.000 1.647 329 L CB -1.343 40.536 42.059 -0.300 0.000 2.769 329 L HN 0.773 nan 8.230 nan 0.000 1.016 330 G N 0.134 108.939 108.800 0.008 0.000 3.502 330 G HA2 0.209 4.169 3.960 0.000 0.000 0.267 330 G HA3 0.209 4.169 3.960 0.000 0.000 0.267 330 G C 0.155 175.113 174.900 0.097 0.000 1.090 330 G CA -0.195 44.936 45.100 0.051 0.000 0.795 330 G HN 0.372 nan 8.290 nan 0.000 0.535 331 E N 0.035 120.312 120.200 0.128 0.000 2.414 331 E HA -0.012 4.338 4.350 0.000 0.000 0.263 331 E C 0.424 177.114 176.600 0.150 0.000 1.000 331 E CA -0.418 56.080 56.400 0.163 0.000 0.914 331 E CB 1.094 30.917 29.700 0.205 0.000 0.948 331 E HN 0.339 nan 8.360 nan 0.000 0.444 332 Y N 3.280 123.612 120.300 0.052 0.000 2.109 332 Y HA -0.058 4.492 4.550 0.000 0.000 0.285 332 Y C 0.772 176.688 175.900 0.026 0.000 1.131 332 Y CA 1.521 59.641 58.100 0.033 0.000 1.121 332 Y CB 0.012 38.485 38.460 0.021 0.000 0.987 332 Y HN 0.521 nan 8.280 nan 0.000 0.495 333 A N 1.542 124.334 122.820 -0.047 0.000 2.354 333 A HA 0.417 4.737 4.320 0.000 0.000 0.269 333 A C -2.463 175.068 177.584 -0.088 0.000 1.109 333 A CA -1.450 50.492 52.037 -0.158 0.000 0.800 333 A CB -0.542 18.437 19.000 -0.036 0.000 1.045 333 A HN 0.287 nan 8.150 nan 0.000 0.489 334 P HA 0.186 nan 4.420 nan 0.000 0.269 334 P C -0.621 176.752 177.300 0.122 0.000 1.209 334 P CA 0.123 63.249 63.100 0.044 0.000 0.776 334 P CB 0.448 32.201 31.700 0.089 0.000 0.876 335 K N 2.156 122.670 120.400 0.191 0.000 2.259 335 K HA 0.477 4.797 4.320 0.000 0.000 0.249 335 K C -0.275 176.420 176.600 0.159 0.000 0.942 335 K CA -1.141 55.249 56.287 0.170 0.000 0.816 335 K CB 1.520 33.991 32.500 -0.048 0.000 1.155 335 K HN 0.394 nan 8.250 nan 0.000 0.428 336 M N 2.062 121.691 119.600 0.048 0.000 2.219 336 M HA 0.134 4.614 4.480 0.000 0.000 0.353 336 M C -0.953 175.095 176.300 -0.419 0.000 1.304 336 M CA -0.095 55.066 55.300 -0.232 0.000 1.115 336 M CB 0.483 32.790 32.600 -0.487 0.000 1.664 336 M HN 0.260 nan 8.290 nan 0.000 0.459 337 V N 4.690 124.424 119.914 -0.299 0.000 2.604 337 V HA 0.362 4.482 4.120 0.000 0.000 0.305 337 V C -0.481 175.320 176.094 -0.488 0.000 1.043 337 V CA -0.918 61.080 62.300 -0.503 0.000 0.888 337 V CB 1.877 33.309 31.823 -0.652 0.000 0.995 337 V HN 0.787 nan 8.190 nan 0.000 0.429 338 E N 2.401 122.308 120.200 -0.487 0.000 2.052 338 E HA 0.286 4.636 4.350 0.000 0.000 0.283 338 E C -0.380 176.048 176.600 -0.288 0.000 1.071 338 E CA -0.177 56.059 56.400 -0.274 0.000 0.851 338 E CB 0.468 30.044 29.700 -0.208 0.000 1.066 338 E HN 0.587 nan 8.360 nan 0.000 0.396 339 F N 2.611 122.561 119.950 0.001 0.000 2.619 339 F HA 0.298 4.825 4.527 -0.000 0.000 0.293 339 F C 1.186 176.963 175.800 -0.039 0.000 1.119 339 F CA 0.403 58.411 58.000 0.013 0.000 1.445 339 F CB 0.988 40.049 39.000 0.102 0.000 1.119 339 F HN 0.449 nan 8.300 nan 0.000 0.573 340 G N -0.193 108.659 108.800 0.086 0.000 2.672 340 G HA2 0.666 4.626 3.960 0.000 0.000 0.292 340 G HA3 0.666 4.626 3.960 0.000 0.000 0.292 340 G C -1.668 173.349 174.900 0.196 0.000 1.375 340 G CA -0.585 44.580 45.100 0.108 0.000 0.890 340 G HN -0.080 nan 8.290 nan 0.000 0.476 341 I N 0.670 121.377 120.570 0.228 0.000 2.466 341 I HA 0.250 4.420 4.170 0.000 0.000 0.289 341 I C 0.015 176.108 176.117 -0.040 0.000 1.026 341 I CA -1.061 60.306 61.300 0.111 0.000 1.078 341 I CB 2.383 40.382 38.000 -0.002 0.000 1.249 341 I HN 0.142 nan 8.210 nan 0.000 0.429 342 V N 5.197 124.979 119.914 -0.220 0.000 2.452 342 V HA -0.063 4.057 4.120 0.000 0.000 0.286 342 V C 0.999 176.937 176.094 -0.260 0.000 0.995 342 V CA 0.798 62.721 62.300 -0.629 0.000 1.116 342 V CB 0.621 32.254 31.823 -0.316 0.000 0.954 342 V HN 0.984 nan 8.190 nan 0.000 0.473 343 S N 4.031 119.540 115.700 -0.319 0.000 2.655 343 S HA 0.256 4.726 4.470 0.000 0.000 0.231 343 S C 0.502 174.979 174.600 -0.205 0.000 1.044 343 S CA 0.199 58.347 58.200 -0.086 0.000 0.910 343 S CB 0.431 63.573 63.200 -0.098 0.000 0.833 343 S HN 0.828 nan 8.310 nan 0.000 0.581 344 Q N -1.607 118.042 119.800 -0.251 0.000 2.462 344 Q HA 0.525 4.865 4.340 0.000 0.000 0.285 344 Q C -0.029 175.899 176.000 -0.119 0.000 1.035 344 Q CA -0.312 55.355 55.803 -0.226 0.000 0.799 344 Q CB 1.728 30.294 28.738 -0.285 0.000 1.452 344 Q HN 0.504 nan 8.270 nan 0.000 0.404 345 G N -0.141 108.663 108.800 0.006 0.000 2.184 345 G HA2 -0.243 3.717 3.960 0.000 0.000 0.264 345 G HA3 -0.243 3.717 3.960 0.000 0.000 0.264 345 G C -0.131 174.815 174.900 0.076 0.000 0.975 345 G CA 0.219 45.411 45.100 0.153 0.000 0.642 345 G HN 0.369 nan 8.290 nan 0.000 0.536 346 V N 2.000 121.915 119.914 0.001 0.000 2.353 346 V HA 0.558 4.678 4.120 0.000 0.000 0.264 346 V C 1.003 177.102 176.094 0.008 0.000 1.049 346 V CA -0.074 62.232 62.300 0.010 0.000 0.896 346 V CB 0.989 32.797 31.823 -0.024 0.000 1.025 346 V HN 0.920 nan 8.190 nan 0.000 0.475 347 V N 2.414 122.341 119.914 0.020 0.000 3.284 347 V HA 0.743 4.863 4.120 0.000 0.000 0.309 347 V C 0.526 176.628 176.094 0.013 0.000 1.190 347 V CA -0.591 61.717 62.300 0.014 0.000 1.038 347 V CB 1.667 33.498 31.823 0.013 0.000 1.198 347 V HN 0.795 nan 8.190 nan 0.000 0.465 348 T N -0.883 113.677 114.554 0.011 0.000 2.934 348 T HA 0.149 4.499 4.350 0.000 0.000 0.306 348 T C 0.318 175.020 174.700 0.003 0.000 1.042 348 T CA -0.214 61.893 62.100 0.011 0.000 1.145 348 T CB -0.547 68.329 68.868 0.013 0.000 0.982 348 T HN 0.953 nan 8.240 nan 0.000 0.544 349 c N 3.318 121.916 118.600 -0.004 0.000 2.657 349 c HA 0.562 5.132 4.570 0.000 0.000 0.420 349 c C 2.023 176.107 174.090 -0.010 0.000 1.323 349 c CA 0.953 57.269 56.329 -0.021 0.000 1.894 349 c CB -0.625 41.858 42.510 -0.043 0.000 2.681 349 c HN 1.404 nan 8.230 nan 0.000 0.613 350 G N 2.404 111.197 108.800 -0.011 0.000 2.238 350 G HA2 -0.140 3.820 3.960 0.000 0.000 0.217 350 G HA3 -0.140 3.820 3.960 0.000 0.000 0.217 350 G C -0.165 174.738 174.900 0.004 0.000 0.996 350 G CA -0.113 44.987 45.100 0.000 0.000 0.632 350 G HN 0.732 nan 8.290 nan 0.000 0.503 351 Q N -0.171 119.631 119.800 0.003 0.000 2.301 351 Q HA 0.654 4.994 4.340 0.000 0.000 0.267 351 Q C -0.117 175.885 176.000 0.004 0.000 1.035 351 Q CA -0.978 54.827 55.803 0.003 0.000 0.856 351 Q CB 2.622 31.361 28.738 0.002 0.000 1.337 351 Q HN 0.379 nan 8.270 nan 0.000 0.450 352 I N 2.067 122.638 120.570 0.002 0.000 2.598 352 I HA -0.025 4.145 4.170 0.000 0.000 0.284 352 I C -0.035 176.083 176.117 0.001 0.000 1.140 352 I CA 0.288 61.590 61.300 0.003 0.000 1.420 352 I CB 0.489 38.489 38.000 -0.000 0.000 1.387 352 I HN 0.666 nan 8.210 nan 0.000 0.553 353 S N 7.395 123.100 115.700 0.008 0.000 2.646 353 S HA 0.578 5.048 4.470 0.000 0.000 0.276 353 S C -0.326 174.276 174.600 0.004 0.000 1.222 353 S CA -0.969 57.239 58.200 0.013 0.000 1.014 353 S CB 1.666 64.885 63.200 0.032 0.000 0.991 353 S HN 0.587 nan 8.310 nan 0.000 0.533 354 L N 1.129 122.348 121.223 -0.006 0.000 2.431 354 L HA 0.505 4.845 4.340 0.000 0.000 0.260 354 L C -2.303 174.591 176.870 0.039 0.000 1.098 354 L CA -2.755 52.062 54.840 -0.037 0.000 0.800 354 L CB 0.694 42.661 42.059 -0.153 0.000 1.210 354 L HN 0.430 nan 8.230 nan 0.000 0.465 355 P HA 0.062 nan 4.420 nan 0.000 0.266 355 P C -0.468 176.990 177.300 0.263 0.000 1.195 355 P CA -0.103 63.081 63.100 0.140 0.000 0.768 355 P CB 0.493 32.272 31.700 0.130 0.000 0.838 356 G N 2.135 111.085 108.800 0.251 0.000 2.410 356 G HA2 0.580 4.540 3.960 0.000 0.000 0.330 356 G HA3 0.580 4.540 3.960 0.000 0.000 0.330 356 G C -1.146 173.886 174.900 0.221 0.000 1.142 356 G CA -0.704 44.544 45.100 0.247 0.000 0.902 356 G HN 0.385 nan 8.290 nan 0.000 0.491 357 L N 0.886 122.124 121.223 0.025 0.000 2.282 357 L HA 0.435 4.775 4.340 0.000 0.000 0.288 357 L C -0.954 175.899 176.870 -0.029 0.000 1.033 357 L CA -0.711 54.114 54.840 -0.027 0.000 0.807 357 L CB 1.205 43.110 42.059 -0.256 0.000 1.209 357 L HN 0.442 nan 8.230 nan 0.000 0.423 358 Y N 0.723 120.987 120.300 -0.061 0.000 2.485 358 Y HA 0.323 4.873 4.550 0.000 0.000 0.345 358 Y C 0.541 176.417 175.900 -0.041 0.000 0.998 358 Y CA -0.724 57.346 58.100 -0.049 0.000 1.059 358 Y CB 2.212 40.630 38.460 -0.069 0.000 1.234 358 Y HN 0.412 nan 8.280 nan 0.000 0.461 359 T N 2.599 117.205 114.554 0.087 0.000 2.870 359 T HA 0.001 4.351 4.350 0.000 0.000 0.300 359 T C 0.053 174.838 174.700 0.140 0.000 0.989 359 T CA -0.349 61.781 62.100 0.050 0.000 1.139 359 T CB -0.075 68.733 68.868 -0.100 0.000 0.920 359 T HN 0.376 nan 8.240 nan 0.000 0.537 360 N N 3.552 122.374 118.700 0.203 0.000 2.448 360 N HA 0.055 4.795 4.740 0.000 0.000 0.250 360 N C 1.136 176.827 175.510 0.302 0.000 1.136 360 N CA -0.249 52.927 53.050 0.210 0.000 0.953 360 N CB 0.334 38.923 38.487 0.169 0.000 1.251 360 N HN 0.319 nan 8.380 nan 0.000 0.502 361 V N 3.477 123.537 119.914 0.243 0.000 2.380 361 V HA -0.216 3.904 4.120 0.000 0.000 0.251 361 V C 2.349 178.595 176.094 0.253 0.000 1.063 361 V CA 2.271 64.719 62.300 0.246 0.000 1.055 361 V CB -1.062 30.831 31.823 0.117 0.000 0.657 361 V HN 0.761 nan 8.190 nan 0.000 0.455 362 G N -0.334 108.588 108.800 0.205 0.000 2.469 362 G HA2 -0.248 3.712 3.960 0.000 0.000 0.220 362 G HA3 -0.248 3.712 3.960 0.000 0.000 0.220 362 G C 1.388 176.370 174.900 0.137 0.000 1.136 362 G CA 0.765 45.969 45.100 0.173 0.000 0.759 362 G HN 0.553 nan 8.290 nan 0.000 0.562 363 E N -0.502 119.745 120.200 0.079 0.000 2.418 363 E HA -0.033 4.317 4.350 0.000 0.000 0.197 363 E C 0.863 177.258 176.600 -0.342 0.000 1.026 363 E CA 0.575 56.884 56.400 -0.152 0.000 0.862 363 E CB 0.001 29.516 29.700 -0.308 0.000 0.799 363 E HN 0.722 nan 8.360 nan 0.000 0.518 364 Y N -1.310 119.092 120.300 0.170 0.000 2.527 364 Y HA 0.084 4.634 4.550 -0.000 0.000 0.247 364 Y C 1.885 177.948 175.900 0.271 0.000 1.138 364 Y CA -0.192 58.063 58.100 0.258 0.000 1.228 364 Y CB 0.462 39.057 38.460 0.225 0.000 1.252 364 Y HN -0.179 nan 8.280 nan 0.000 0.531 365 V N 0.073 120.115 119.914 0.214 0.000 2.392 365 V HA -0.323 3.797 4.120 0.000 0.000 0.249 365 V C 2.425 178.445 176.094 -0.122 0.000 1.059 365 V CA 2.244 64.537 62.300 -0.010 0.000 1.051 365 V CB -0.366 31.342 31.823 -0.192 0.000 0.658 365 V HN 0.325 nan 8.190 nan 0.000 0.455 366 Q N -0.435 119.387 119.800 0.037 0.000 2.030 366 Q HA -0.277 4.063 4.340 0.000 0.000 0.204 366 Q C 1.910 178.060 176.000 0.250 0.000 0.986 366 Q CA 2.650 58.569 55.803 0.193 0.000 0.843 366 Q CB -0.650 28.280 28.738 0.320 0.000 0.904 366 Q HN 0.734 nan 8.270 nan 0.000 0.420 367 W N 0.203 121.631 121.300 0.213 0.000 2.338 367 W HA -0.160 4.500 4.660 0.000 0.000 0.304 367 W C 1.667 178.227 176.519 0.068 0.000 1.212 367 W CA 1.818 59.300 57.345 0.228 0.000 1.264 367 W CB -0.321 29.354 29.460 0.360 0.000 1.142 367 W HN 0.222 nan 8.180 nan 0.000 0.512 368 I N 0.700 121.335 120.570 0.109 0.000 2.127 368 I HA -0.401 3.769 4.170 0.000 0.000 0.241 368 I C 2.781 178.696 176.117 -0.336 0.000 1.075 368 I CA 2.299 63.484 61.300 -0.192 0.000 1.334 368 I CB -1.210 36.845 38.000 0.091 0.000 1.040 368 I HN 0.155 nan 8.210 nan 0.000 0.405 369 T N -2.047 112.390 114.554 -0.196 0.000 2.746 369 T HA -0.197 4.153 4.350 0.000 0.000 0.267 369 T C 1.582 176.105 174.700 -0.294 0.000 1.039 369 T CA 1.570 63.530 62.100 -0.233 0.000 1.142 369 T CB -0.434 68.349 68.868 -0.141 0.000 0.866 369 T HN 0.242 nan 8.240 nan 0.000 0.444 370 D N 1.082 121.314 120.400 -0.279 0.000 2.149 370 D HA -0.026 4.614 4.640 0.000 0.000 0.201 370 D C 2.346 178.351 176.300 -0.491 0.000 0.972 370 D CA 1.497 55.296 54.000 -0.336 0.000 0.835 370 D CB -0.542 40.080 40.800 -0.296 0.000 0.966 370 D HN 0.448 nan 8.370 nan 0.000 0.476 371 T N 0.873 115.005 114.554 -0.705 0.000 2.777 371 T HA -0.065 4.285 4.350 0.000 0.000 0.266 371 T C 2.166 176.567 174.700 -0.499 0.000 1.040 371 T CA 0.814 62.484 62.100 -0.717 0.000 1.141 371 T CB -0.072 68.072 68.868 -1.206 0.000 0.868 371 T HN 0.109 nan 8.240 nan 0.000 0.444 372 M N 0.861 120.108 119.600 -0.589 0.000 2.175 372 M HA -0.011 4.469 4.480 0.000 0.000 0.264 372 M C 2.772 178.862 176.300 -0.349 0.000 1.063 372 M CA 1.380 56.284 55.300 -0.660 0.000 1.119 372 M CB -0.396 31.696 32.600 -0.847 0.000 1.377 372 M HN 0.306 nan 8.290 nan 0.000 0.415 373 A N 0.319 122.948 122.820 -0.319 0.000 1.877 373 A HA -0.168 4.152 4.320 0.000 0.000 0.216 373 A C 2.290 179.784 177.584 -0.150 0.000 1.186 373 A CA 2.183 54.086 52.037 -0.224 0.000 0.620 373 A CB -0.950 17.911 19.000 -0.232 0.000 0.822 373 A HN 0.571 nan 8.150 nan 0.000 0.443 374 S N 0.018 115.624 115.700 -0.157 0.000 2.406 374 S HA -0.112 4.358 4.470 0.000 0.000 0.228 374 S C 1.366 175.937 174.600 -0.048 0.000 1.020 374 S CA 1.379 59.527 58.200 -0.087 0.000 0.965 374 S CB -0.668 62.484 63.200 -0.081 0.000 0.798 374 S HN 0.630 nan 8.310 nan 0.000 0.488 375 N N 1.291 119.963 118.700 -0.046 0.000 2.422 375 N HA 0.397 5.137 4.740 0.000 0.000 0.181 375 N C 0.566 176.114 175.510 0.064 0.000 1.080 375 N CA 0.601 53.668 53.050 0.028 0.000 0.893 375 N CB 0.332 38.866 38.487 0.079 0.000 0.973 375 N HN 0.673 nan 8.380 nan 0.000 0.456 376 G N 0.037 108.862 108.800 0.041 0.000 2.879 376 G HA2 -0.199 3.761 3.960 0.000 0.000 0.686 376 G HA3 -0.199 3.761 3.960 0.000 0.000 0.686 376 G C 0.268 175.246 174.900 0.130 0.000 1.115 376 G CA -0.702 44.423 45.100 0.042 0.000 0.770 376 G HN 0.133 nan 8.290 nan 0.000 0.601 377 L N 1.206 122.471 121.223 0.071 0.000 2.156 377 L HA 0.137 4.477 4.340 0.000 0.000 0.208 377 L C 2.230 179.161 176.870 0.102 0.000 1.095 377 L CA 1.012 55.930 54.840 0.130 0.000 0.770 377 L CB -0.376 41.685 42.059 0.005 0.000 0.914 377 L HN 0.575 nan 8.230 nan 0.000 0.439 378 L N -1.718 119.525 121.223 0.034 0.000 2.666 378 L HA 0.202 4.542 4.340 0.000 0.000 0.213 378 L C 0.568 177.428 176.870 -0.018 0.000 1.734 378 L CA -0.805 54.034 54.840 -0.002 0.000 2.979 378 L CB -0.333 41.719 42.059 -0.011 0.000 2.784 378 L HN -0.023 nan 8.230 nan 0.000 0.797 379 E N 1.236 121.424 120.200 -0.020 0.000 2.418 379 E HA 0.093 4.443 4.350 0.000 0.000 0.261 379 E C -0.625 175.967 176.600 -0.014 0.000 1.070 379 E CA -0.090 56.296 56.400 -0.023 0.000 0.931 379 E CB 0.799 30.488 29.700 -0.018 0.000 0.954 379 E HN 0.237 nan 8.360 nan 0.000 0.439 380 S N 0.000 115.690 115.700 -0.017 0.000 2.498 380 S HA 0.000 4.470 4.470 0.000 0.000 0.327 380 S CA 0.000 58.196 58.200 -0.007 0.000 1.107 380 S CB 0.000 63.194 63.200 -0.010 0.000 0.593 380 S HN 0.000 nan 8.310 nan 0.000 0.517