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 2o2h_1_A DATA FIRST_RESID 4 DATA SEQUENCE FGVEPYGQPK YLEIAGKRMA YIDEGKGDAI VFQHGNPTSS YLWRNIMPHL DATA SEQUENCE EGLGRLVACD LIGMGASDKL SPSGPDRYSY GEQRDFLFAL WDALDLGDHV DATA SEQUENCE VLVLHDWGSA LGFDWANQHR DRVQGIAFME AIVTPMTWAD WPPAVRGVFQ DATA SEQUENCE GFRSPQGEPM ALEHNIFVER VLPGAILRQL SDEEMNHYRR PFVNGGEDRR DATA SEQUENCE PTLSWPRNLP IDGEPAEVVA LVNEYRSWLE ETDMPKLFIN AEPGAIITGR DATA SEQUENCE IRDYVRSWPN QTEITVPGVH FVQEDSPEEI GAAIAQFVRR LRSA 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 4 F HA 0.000 nan 4.527 nan 0.000 0.279 4 F C 0.000 175.794 175.800 -0.010 0.000 0.967 4 F CA 0.000 57.997 58.000 -0.004 0.000 1.383 4 F CB 0.000 39.004 39.000 0.007 0.000 1.145 5 G N 0.389 109.257 108.800 0.113 0.000 2.491 5 G HA2 0.440 4.344 3.960 -0.094 0.000 0.242 5 G HA3 0.440 4.344 3.960 -0.094 0.000 0.242 5 G C 0.850 175.771 174.900 0.036 0.000 1.266 5 G CA 0.068 45.202 45.100 0.057 0.000 0.844 5 G HN 0.811 nan 8.290 nan 0.000 0.571 6 V N -2.266 117.676 119.914 0.047 0.000 3.565 6 V HA 0.498 4.562 4.120 -0.094 0.000 0.260 6 V C 1.084 177.209 176.094 0.052 0.000 1.231 6 V CA 1.020 63.367 62.300 0.079 0.000 1.100 6 V CB -1.062 30.842 31.823 0.135 0.000 0.807 6 V HN 0.839 nan 8.190 nan 0.000 0.454 7 E N 2.049 122.255 120.200 0.009 0.000 2.331 7 E HA 0.590 4.883 4.350 -0.094 0.000 0.272 7 E C -2.621 173.939 176.600 -0.066 0.000 1.036 7 E CA -2.076 54.326 56.400 0.004 0.000 0.864 7 E CB -0.536 29.170 29.700 0.009 0.000 1.035 7 E HN 0.557 nan 8.360 nan 0.000 0.408 8 P HA 0.060 nan 4.420 nan 0.000 0.269 8 P C -0.829 176.474 177.300 0.005 0.000 1.217 8 P CA -0.051 63.042 63.100 -0.012 0.000 0.783 8 P CB 0.147 31.881 31.700 0.056 0.000 0.898 9 Y N 1.593 121.839 120.300 -0.090 0.000 2.304 9 Y HA 0.442 4.936 4.550 -0.094 0.000 0.328 9 Y C 1.044 176.912 175.900 -0.052 0.000 1.123 9 Y CA 1.176 59.230 58.100 -0.077 0.000 1.218 9 Y CB 0.137 38.540 38.460 -0.095 0.000 1.207 9 Y HN 0.858 nan 8.280 nan 0.000 0.495 10 G N 3.238 111.653 108.800 -0.641 0.000 2.750 10 G HA2 -0.093 3.810 3.960 -0.094 0.000 0.228 10 G HA3 -0.093 3.810 3.960 -0.094 0.000 0.228 10 G C -1.162 173.619 174.900 -0.199 0.000 1.367 10 G CA -0.292 44.544 45.100 -0.439 0.000 0.871 10 G HN 1.094 nan 8.290 nan 0.000 0.560 11 Q N -0.755 118.954 119.800 -0.153 0.000 2.256 11 Q HA 0.707 4.991 4.340 -0.094 0.000 0.257 11 Q C -2.468 173.445 176.000 -0.145 0.000 0.936 11 Q CA -1.412 54.322 55.803 -0.115 0.000 0.903 11 Q CB 1.284 29.965 28.738 -0.096 0.000 1.263 11 Q HN 0.827 nan 8.270 nan 0.000 0.440 12 P HA 0.369 nan 4.420 nan 0.000 0.276 12 P C -0.901 176.158 177.300 -0.401 0.000 1.230 12 P CA -0.374 62.554 63.100 -0.287 0.000 0.776 12 P CB 0.554 32.122 31.700 -0.220 0.000 0.888 13 K N 2.029 122.002 120.400 -0.711 0.000 2.395 13 K HA 0.611 4.874 4.320 -0.094 0.000 0.247 13 K C -1.061 175.027 176.600 -0.853 0.000 0.973 13 K CA -0.628 55.234 56.287 -0.708 0.000 0.828 13 K CB 1.774 33.723 32.500 -0.919 0.000 1.272 13 K HN 0.366 nan 8.250 nan 0.000 0.439 14 Y N 0.667 120.896 120.300 -0.119 0.000 2.492 14 Y HA 0.536 5.029 4.550 -0.095 0.000 0.346 14 Y C -0.680 175.358 175.900 0.231 0.000 0.997 14 Y CA -0.995 57.163 58.100 0.096 0.000 1.025 14 Y CB 1.759 40.253 38.460 0.056 0.000 1.263 14 Y HN 0.179 nan 8.280 nan 0.000 0.454 15 L N 2.242 123.733 121.223 0.448 0.000 2.422 15 L HA 0.465 4.748 4.340 -0.094 0.000 0.264 15 L C -0.780 176.235 176.870 0.242 0.000 0.984 15 L CA -0.920 54.105 54.840 0.308 0.000 0.819 15 L CB 2.462 44.680 42.059 0.265 0.000 1.330 15 L HN 0.603 nan 8.230 nan 0.000 0.410 16 E N 3.722 124.029 120.200 0.178 0.000 2.289 16 E HA 0.395 4.689 4.350 -0.094 0.000 0.278 16 E C -0.938 175.749 176.600 0.146 0.000 1.032 16 E CA -0.348 56.143 56.400 0.152 0.000 0.854 16 E CB 1.653 31.420 29.700 0.111 0.000 1.046 16 E HN 0.211 nan 8.360 nan 0.000 0.409 17 I N 1.929 122.606 120.570 0.179 0.000 2.447 17 I HA 0.170 4.283 4.170 -0.094 0.000 0.287 17 I C 0.465 176.696 176.117 0.190 0.000 1.023 17 I CA -0.572 60.830 61.300 0.169 0.000 1.083 17 I CB 1.042 39.178 38.000 0.228 0.000 1.245 17 I HN 0.703 nan 8.210 nan 0.000 0.434 18 A N 4.866 127.727 122.820 0.068 0.000 2.704 18 A HA -0.099 4.165 4.320 -0.094 0.000 0.299 18 A C 1.461 179.124 177.584 0.131 0.000 1.507 18 A CA 1.392 53.452 52.037 0.037 0.000 0.776 18 A CB -1.844 17.054 19.000 -0.171 0.000 1.027 18 A HN 2.087 nan 8.150 nan 0.000 0.475 19 G N -2.334 106.535 108.800 0.115 0.000 2.179 19 G HA2 -0.254 3.649 3.960 -0.094 0.000 0.260 19 G HA3 -0.254 3.649 3.960 -0.094 0.000 0.260 19 G C 0.028 174.996 174.900 0.112 0.000 0.977 19 G CA 0.962 46.120 45.100 0.096 0.000 0.641 19 G HN 1.070 nan 8.290 nan 0.000 0.533 20 K N 0.385 120.887 120.400 0.170 0.000 2.270 20 K HA 0.437 4.701 4.320 -0.094 0.000 0.255 20 K C 0.459 177.139 176.600 0.133 0.000 0.936 20 K CA -0.883 55.475 56.287 0.119 0.000 0.809 20 K CB 1.515 34.058 32.500 0.072 0.000 1.131 20 K HN 0.288 nan 8.250 nan 0.000 0.427 21 R N 2.320 122.884 120.500 0.107 0.000 2.442 21 R HA 0.236 4.519 4.340 -0.094 0.000 0.291 21 R C 0.166 176.588 176.300 0.203 0.000 1.069 21 R CA 0.323 56.524 56.100 0.167 0.000 1.022 21 R CB 0.363 30.748 30.300 0.143 0.000 0.976 21 R HN 0.387 nan 8.270 nan 0.000 0.443 22 M N 2.093 121.850 119.600 0.262 0.000 2.311 22 M HA 0.399 4.822 4.480 -0.094 0.000 0.325 22 M C -0.352 176.135 176.300 0.312 0.000 1.061 22 M CA -0.722 54.730 55.300 0.254 0.000 0.957 22 M CB 2.308 35.039 32.600 0.219 0.000 1.646 22 M HN 0.604 nan 8.290 nan 0.000 0.434 23 A N 3.216 126.159 122.820 0.205 0.000 2.303 23 A HA 0.869 5.133 4.320 -0.094 0.000 0.317 23 A C -1.239 176.435 177.584 0.149 0.000 1.149 23 A CA -0.322 51.679 52.037 -0.060 0.000 0.822 23 A CB 0.522 19.427 19.000 -0.160 0.000 1.131 23 A HN 0.875 nan 8.150 nan 0.000 0.493 24 Y N -1.244 118.982 120.300 -0.123 0.000 2.677 24 Y HA 0.713 5.207 4.550 -0.095 0.000 0.334 24 Y C -1.359 174.536 175.900 -0.008 0.000 1.196 24 Y CA -1.454 56.654 58.100 0.013 0.000 1.059 24 Y CB 0.771 39.279 38.460 0.080 0.000 1.315 24 Y HN 0.504 nan 8.280 nan 0.000 0.455 25 I N 2.110 122.780 120.570 0.166 0.000 2.412 25 I HA 0.428 4.542 4.170 -0.094 0.000 0.296 25 I C -1.246 175.019 176.117 0.247 0.000 0.987 25 I CA -0.417 60.945 61.300 0.104 0.000 1.180 25 I CB 1.770 39.867 38.000 0.161 0.000 1.340 25 I HN 0.652 nan 8.210 nan 0.000 0.455 26 D N 5.750 126.252 120.400 0.169 0.000 2.365 26 D HA 0.287 4.871 4.640 -0.094 0.000 0.235 26 D C -1.139 175.237 176.300 0.126 0.000 1.368 26 D CA -0.274 53.853 54.000 0.213 0.000 1.001 26 D CB 1.117 42.120 40.800 0.338 0.000 1.364 26 D HN 0.315 nan 8.370 nan 0.000 0.577 27 E N 1.386 121.666 120.200 0.134 0.000 2.317 27 E HA 0.686 4.980 4.350 -0.094 0.000 0.270 27 E C 0.571 177.232 176.600 0.102 0.000 0.885 27 E CA -0.630 55.832 56.400 0.104 0.000 0.760 27 E CB 1.881 31.661 29.700 0.133 0.000 1.227 27 E HN 0.723 nan 8.360 nan 0.000 0.434 28 G N 1.984 110.826 108.800 0.070 0.000 2.728 28 G HA2 -0.157 3.746 3.960 -0.094 0.000 0.294 28 G HA3 -0.157 3.746 3.960 -0.094 0.000 0.294 28 G C -0.768 174.160 174.900 0.047 0.000 1.342 28 G CA -0.095 45.042 45.100 0.060 0.000 0.866 28 G HN 0.684 nan 8.290 nan 0.000 0.534 29 K N -0.570 119.851 120.400 0.036 0.000 2.482 29 K HA 0.852 5.115 4.320 -0.094 0.000 0.257 29 K C 0.460 177.070 176.600 0.017 0.000 0.969 29 K CA 0.194 56.496 56.287 0.026 0.000 0.842 29 K CB 2.035 34.547 32.500 0.020 0.000 1.359 29 K HN 2.787 nan 8.250 nan 0.000 0.441 30 G N 1.099 109.906 108.800 0.012 0.000 2.384 30 G HA2 -0.092 3.812 3.960 -0.094 0.000 0.204 30 G HA3 -0.092 3.812 3.960 -0.094 0.000 0.204 30 G C -1.603 173.298 174.900 0.003 0.000 1.237 30 G CA -0.491 44.611 45.100 0.003 0.000 1.060 30 G HN 0.691 nan 8.290 nan 0.000 0.514 31 D N 1.276 121.673 120.400 -0.005 0.000 2.399 31 D HA 0.520 5.103 4.640 -0.094 0.000 0.241 31 D C 0.965 177.254 176.300 -0.020 0.000 1.133 31 D CA 0.997 55.001 54.000 0.006 0.000 0.890 31 D CB 1.269 42.075 40.800 0.010 0.000 1.201 31 D HN 0.951 nan 8.370 nan 0.000 0.432 32 A N 2.286 125.080 122.820 -0.042 0.000 2.340 32 A HA 0.497 4.760 4.320 -0.094 0.000 0.268 32 A C 0.122 177.626 177.584 -0.134 0.000 1.100 32 A CA -0.381 51.600 52.037 -0.092 0.000 0.803 32 A CB 0.276 19.183 19.000 -0.155 0.000 1.043 32 A HN 0.548 nan 8.150 nan 0.000 0.488 33 I N 2.603 123.088 120.570 -0.141 0.000 2.448 33 I HA 0.279 4.392 4.170 -0.094 0.000 0.281 33 I C -0.966 174.950 176.117 -0.335 0.000 1.027 33 I CA -0.545 60.600 61.300 -0.259 0.000 1.111 33 I CB 1.824 39.713 38.000 -0.184 0.000 1.236 33 I HN 0.245 nan 8.210 nan 0.000 0.452 34 V N 6.819 126.428 119.914 -0.508 0.000 2.357 34 V HA 0.402 4.466 4.120 -0.094 0.000 0.284 34 V C -0.437 175.342 176.094 -0.526 0.000 1.018 34 V CA -0.410 61.619 62.300 -0.451 0.000 0.841 34 V CB 1.036 32.438 31.823 -0.701 0.000 0.991 34 V HN 0.379 nan 8.190 nan 0.000 0.437 35 F N 3.472 123.187 119.950 -0.393 0.000 2.415 35 F HA 0.637 5.107 4.527 -0.095 0.000 0.348 35 F C 0.280 175.894 175.800 -0.311 0.000 1.119 35 F CA -0.445 57.105 58.000 -0.750 0.000 1.069 35 F CB 1.705 39.928 39.000 -1.294 0.000 1.124 35 F HN 0.360 nan 8.300 nan 0.000 0.472 36 Q N 3.454 123.322 119.800 0.113 0.000 2.309 36 Q HA 0.244 4.528 4.340 -0.094 0.000 0.270 36 Q C -0.647 175.814 176.000 0.768 0.000 1.023 36 Q CA -0.804 55.284 55.803 0.475 0.000 0.758 36 Q CB 0.676 29.648 28.738 0.390 0.000 1.247 36 Q HN 0.702 nan 8.270 nan 0.000 0.455 37 H N 1.116 120.698 119.070 0.853 0.000 2.660 37 H HA 0.740 5.239 4.556 -0.095 0.000 0.374 37 H C 0.314 175.883 175.328 0.402 0.000 1.291 37 H CA 0.091 56.504 56.048 0.609 0.000 1.437 37 H CB 0.817 30.857 29.762 0.464 0.000 1.509 37 H HN 0.616 nan 8.280 nan 0.000 0.614 38 G N -0.160 108.874 108.800 0.391 0.000 3.264 38 G HA2 0.170 4.073 3.960 -0.094 0.000 0.168 38 G HA3 0.170 4.073 3.960 -0.094 0.000 0.168 38 G C -0.872 174.225 174.900 0.328 0.000 1.145 38 G CA -0.919 44.282 45.100 0.168 0.000 0.855 38 G HN 0.780 nan 8.290 nan 0.000 0.629 39 N N 1.245 120.051 118.700 0.177 0.000 2.430 39 N HA 0.533 5.217 4.740 -0.094 0.000 0.292 39 N C -2.420 173.259 175.510 0.281 0.000 1.051 39 N CA -2.016 51.106 53.050 0.121 0.000 0.917 39 N CB 2.307 40.732 38.487 -0.103 0.000 1.164 39 N HN 0.085 nan 8.380 nan 0.000 0.484 40 P HA 0.198 nan 4.420 nan 0.000 0.223 40 P C -0.662 176.806 177.300 0.280 0.000 1.878 40 P CA -0.253 62.893 63.100 0.077 0.000 1.038 40 P CB -0.001 31.621 31.700 -0.130 0.000 1.774 41 T N -2.360 112.403 114.554 0.348 0.000 2.855 41 T HA 0.779 5.073 4.350 -0.094 0.000 0.275 41 T C 0.323 175.012 174.700 -0.018 0.000 1.022 41 T CA -0.494 61.790 62.100 0.307 0.000 0.977 41 T CB 0.990 70.052 68.868 0.323 0.000 1.559 41 T HN 0.252 nan 8.240 nan 0.000 0.600 42 S N -1.147 114.379 115.700 -0.289 0.000 2.757 42 S HA 0.384 4.798 4.470 -0.094 0.000 0.285 42 S C 1.270 175.734 174.600 -0.227 0.000 1.196 42 S CA 0.009 57.738 58.200 -0.785 0.000 0.856 42 S CB 0.586 63.663 63.200 -0.205 0.000 1.212 42 S HN 1.298 nan 8.310 nan 0.000 0.516 43 S N -0.026 115.727 115.700 0.088 0.000 2.440 43 S HA -0.206 4.207 4.470 -0.094 0.000 0.240 43 S C 1.511 176.262 174.600 0.252 0.000 1.014 43 S CA 1.454 59.869 58.200 0.358 0.000 0.980 43 S CB -1.229 62.157 63.200 0.311 0.000 0.775 43 S HN 0.776 nan 8.310 nan 0.000 0.499 44 Y N 2.096 122.390 120.300 -0.011 0.000 2.181 44 Y HA -0.166 4.328 4.550 -0.095 0.000 0.284 44 Y C 2.123 177.958 175.900 -0.108 0.000 1.179 44 Y CA 1.431 59.455 58.100 -0.127 0.000 1.179 44 Y CB -0.640 37.630 38.460 -0.316 0.000 0.973 44 Y HN 0.325 nan 8.280 nan 0.000 0.519 45 L N -0.834 120.386 121.223 -0.005 0.000 2.137 45 L HA -0.238 4.046 4.340 -0.094 0.000 0.213 45 L C 1.247 177.874 176.870 -0.405 0.000 1.085 45 L CA 1.960 56.681 54.840 -0.198 0.000 0.760 45 L CB -0.700 41.136 42.059 -0.370 0.000 0.893 45 L HN 0.383 nan 8.230 nan 0.000 0.434 46 W N -0.426 120.850 121.300 -0.040 0.000 3.316 46 W HA 0.173 4.777 4.660 -0.094 0.000 0.327 46 W C 2.237 178.595 176.519 -0.268 0.000 1.232 46 W CA -0.017 57.241 57.345 -0.145 0.000 1.805 46 W CB -0.125 29.204 29.460 -0.217 0.000 1.090 46 W HN 0.107 nan 8.180 nan 0.000 0.654 47 R N 0.694 121.124 120.500 -0.116 0.000 2.127 47 R HA -0.129 4.155 4.340 -0.094 0.000 0.238 47 R C 0.705 176.945 176.300 -0.100 0.000 1.134 47 R CA 1.882 57.898 56.100 -0.139 0.000 0.975 47 R CB -0.955 29.156 30.300 -0.316 0.000 0.865 47 R HN 0.249 nan 8.270 nan 0.000 0.447 48 N N -0.192 118.462 118.700 -0.076 0.000 2.336 48 N HA 0.200 4.883 4.740 -0.094 0.000 0.189 48 N C 1.128 176.680 175.510 0.069 0.000 1.113 48 N CA 0.104 53.154 53.050 0.000 0.000 0.858 48 N CB 0.415 38.918 38.487 0.026 0.000 0.970 48 N HN 0.235 nan 8.380 nan 0.000 0.471 49 I N -0.219 120.375 120.570 0.040 0.000 3.194 49 I HA 0.019 4.133 4.170 -0.094 0.000 0.271 49 I C 1.821 177.937 176.117 -0.003 0.000 1.150 49 I CA 0.341 61.706 61.300 0.108 0.000 1.440 49 I CB 0.074 38.220 38.000 0.243 0.000 1.276 49 I HN 0.073 nan 8.210 nan 0.000 0.457 50 M N 0.961 120.336 119.600 -0.375 0.000 2.108 50 M HA -0.179 4.245 4.480 -0.094 0.000 0.257 50 M C -0.617 175.396 176.300 -0.477 0.000 1.071 50 M CA 2.355 57.227 55.300 -0.714 0.000 1.093 50 M CB -1.552 30.252 32.600 -1.327 0.000 1.345 50 M HN 0.065 nan 8.290 nan 0.000 0.403 51 P HA -0.146 nan 4.420 nan 0.000 0.219 51 P C 0.632 177.856 177.300 -0.127 0.000 1.146 51 P CA 1.388 64.401 63.100 -0.145 0.000 0.808 51 P CB -0.218 31.428 31.700 -0.090 0.000 0.779 52 H N -1.891 117.145 119.070 -0.057 0.000 2.546 52 H HA 0.045 4.545 4.556 -0.094 0.000 0.277 52 H C 1.251 176.587 175.328 0.014 0.000 1.004 52 H CA 0.665 56.708 56.048 -0.008 0.000 1.231 52 H CB -0.248 29.517 29.762 0.006 0.000 1.382 52 H HN 0.025 nan 8.280 nan 0.000 0.580 53 L N 0.700 121.991 121.223 0.114 0.000 2.667 53 L HA 0.145 4.428 4.340 -0.094 0.000 0.232 53 L C 0.174 177.084 176.870 0.067 0.000 1.138 53 L CA 0.289 55.192 54.840 0.106 0.000 0.921 53 L CB -0.514 41.651 42.059 0.176 0.000 1.180 53 L HN 0.293 nan 8.230 nan 0.000 0.487 54 E N 0.302 120.529 120.200 0.045 0.000 2.465 54 E HA 0.233 4.526 4.350 -0.094 0.000 0.260 54 E C 1.173 177.796 176.600 0.039 0.000 0.980 54 E CA 0.762 57.195 56.400 0.054 0.000 0.927 54 E CB 0.406 30.140 29.700 0.058 0.000 0.934 54 E HN 0.377 nan 8.360 nan 0.000 0.459 55 G N 2.858 111.681 108.800 0.038 0.000 2.179 55 G HA2 -0.300 3.603 3.960 -0.094 0.000 0.260 55 G HA3 -0.300 3.603 3.960 -0.094 0.000 0.260 55 G C 0.631 175.542 174.900 0.017 0.000 0.977 55 G CA 0.256 45.370 45.100 0.023 0.000 0.641 55 G HN 0.522 nan 8.290 nan 0.000 0.533 56 L N 0.089 121.326 121.223 0.023 0.000 2.640 56 L HA 0.578 4.861 4.340 -0.094 0.000 0.230 56 L C 1.386 178.258 176.870 0.003 0.000 1.123 56 L CA 0.645 55.491 54.840 0.010 0.000 0.900 56 L CB 0.442 42.511 42.059 0.017 0.000 1.146 56 L HN 0.711 nan 8.230 nan 0.000 0.484 57 G N -0.244 108.566 108.800 0.017 0.000 2.323 57 G HA2 0.120 4.024 3.960 -0.094 0.000 0.291 57 G HA3 0.120 4.024 3.960 -0.094 0.000 0.291 57 G C -1.686 173.234 174.900 0.034 0.000 1.278 57 G CA -0.889 44.218 45.100 0.012 0.000 0.860 57 G HN -0.100 nan 8.290 nan 0.000 0.504 58 R N 0.400 120.916 120.500 0.026 0.000 2.221 58 R HA 0.535 4.818 4.340 -0.094 0.000 0.327 58 R C -0.642 175.697 176.300 0.065 0.000 1.033 58 R CA -0.456 55.670 56.100 0.044 0.000 0.887 58 R CB 0.109 30.423 30.300 0.024 0.000 1.057 58 R HN 0.387 nan 8.270 nan 0.000 0.455 59 L N 5.481 126.773 121.223 0.115 0.000 2.265 59 L HA 0.450 4.733 4.340 -0.094 0.000 0.289 59 L C -0.685 176.291 176.870 0.177 0.000 1.033 59 L CA -0.967 53.981 54.840 0.181 0.000 0.814 59 L CB 1.669 43.822 42.059 0.157 0.000 1.203 59 L HN 0.340 nan 8.230 nan 0.000 0.423 60 V N 2.597 122.628 119.914 0.194 0.000 2.540 60 V HA 0.811 4.874 4.120 -0.094 0.000 0.302 60 V C -0.152 176.082 176.094 0.233 0.000 1.035 60 V CA -0.466 61.936 62.300 0.169 0.000 0.873 60 V CB 1.840 33.685 31.823 0.037 0.000 0.992 60 V HN 0.851 nan 8.190 nan 0.000 0.428 61 A N 3.737 126.716 122.820 0.266 0.000 2.442 61 A HA 0.691 4.954 4.320 -0.094 0.000 0.284 61 A C -0.769 177.045 177.584 0.383 0.000 1.058 61 A CA -0.352 51.872 52.037 0.311 0.000 0.738 61 A CB 1.038 20.193 19.000 0.258 0.000 1.242 61 A HN 0.788 nan 8.150 nan 0.000 0.421 62 C N 1.349 120.913 119.300 0.440 0.000 2.366 62 C HA 0.667 5.071 4.460 -0.094 0.000 0.345 62 C C -0.276 174.989 174.990 0.458 0.000 1.209 62 C CA -0.552 58.715 59.018 0.416 0.000 2.050 62 C CB 1.045 28.997 27.740 0.354 0.000 2.359 62 C HN 0.796 nan 8.230 nan 0.000 0.527 63 D N 2.193 122.821 120.400 0.380 0.000 2.280 63 D HA 0.389 4.973 4.640 -0.094 0.000 0.243 63 D C 0.105 176.636 176.300 0.385 0.000 1.129 63 D CA 0.019 54.278 54.000 0.431 0.000 0.848 63 D CB 0.783 41.724 40.800 0.234 0.000 1.107 63 D HN 0.370 nan 8.370 nan 0.000 0.471 64 L N 1.951 123.481 121.223 0.512 0.000 2.506 64 L HA -0.005 4.278 4.340 -0.094 0.000 0.281 64 L C 0.981 177.976 176.870 0.208 0.000 1.228 64 L CA -0.453 54.559 54.840 0.287 0.000 0.850 64 L CB 0.155 42.402 42.059 0.314 0.000 1.110 64 L HN 0.321 nan 8.230 nan 0.000 0.496 65 I N 2.289 122.911 120.570 0.086 0.000 2.845 65 I HA 0.054 4.167 4.170 -0.094 0.000 0.296 65 I C 1.216 177.411 176.117 0.130 0.000 1.216 65 I CA 1.674 62.952 61.300 -0.036 0.000 1.438 65 I CB 0.477 38.209 38.000 -0.447 0.000 1.342 65 I HN 0.780 nan 8.210 nan 0.000 0.577 66 G N 5.494 114.375 108.800 0.135 0.000 2.184 66 G HA2 -0.265 3.639 3.960 -0.094 0.000 0.264 66 G HA3 -0.265 3.639 3.960 -0.094 0.000 0.264 66 G C 0.224 175.146 174.900 0.037 0.000 0.975 66 G CA 0.573 45.736 45.100 0.106 0.000 0.642 66 G HN 0.584 nan 8.290 nan 0.000 0.536 67 M N -0.758 118.896 119.600 0.090 0.000 2.644 67 M HA 0.596 5.019 4.480 -0.094 0.000 0.304 67 M C 1.266 177.575 176.300 0.015 0.000 1.215 67 M CA -0.162 55.197 55.300 0.098 0.000 0.871 67 M CB 1.869 34.675 32.600 0.343 0.000 1.740 67 M HN 1.265 nan 8.290 nan 0.000 0.464 68 G N 1.326 110.071 108.800 -0.092 0.000 2.611 68 G HA2 -0.301 3.603 3.960 -0.094 0.000 0.301 68 G HA3 -0.301 3.603 3.960 -0.094 0.000 0.301 68 G C 0.469 175.332 174.900 -0.062 0.000 1.233 68 G CA 0.571 45.625 45.100 -0.078 0.000 0.993 68 G HN 1.107 nan 8.290 nan 0.000 0.553 69 A N -0.237 122.595 122.820 0.019 0.000 2.345 69 A HA 0.676 4.939 4.320 -0.094 0.000 0.225 69 A C 1.294 178.976 177.584 0.163 0.000 1.243 69 A CA 1.459 53.549 52.037 0.087 0.000 0.875 69 A CB -0.095 18.986 19.000 0.135 0.000 0.929 69 A HN 1.156 nan 8.150 nan 0.000 0.502 70 S N 1.066 116.834 115.700 0.113 0.000 2.592 70 S HA 0.273 4.687 4.470 -0.094 0.000 0.271 70 S C -0.241 174.399 174.600 0.067 0.000 1.326 70 S CA -0.539 57.735 58.200 0.124 0.000 1.024 70 S CB 0.561 63.827 63.200 0.111 0.000 0.921 70 S HN 0.474 nan 8.310 nan 0.000 0.527 71 D N 1.851 122.283 120.400 0.052 0.000 2.368 71 D HA 0.158 4.741 4.640 -0.094 0.000 0.240 71 D C 0.107 176.411 176.300 0.007 0.000 1.169 71 D CA 0.163 54.172 54.000 0.015 0.000 0.906 71 D CB 0.480 41.281 40.800 0.002 0.000 1.187 71 D HN 0.164 nan 8.370 nan 0.000 0.435 72 K N 1.058 121.472 120.400 0.025 0.000 2.144 72 K HA 0.338 4.601 4.320 -0.094 0.000 0.270 72 K C 0.009 176.619 176.600 0.016 0.000 1.005 72 K CA -0.522 55.815 56.287 0.084 0.000 0.932 72 K CB 0.708 33.258 32.500 0.084 0.000 1.021 72 K HN 0.349 nan 8.250 nan 0.000 0.462 73 L N 1.648 122.860 121.223 -0.017 0.000 2.426 73 L HA 0.149 4.433 4.340 -0.094 0.000 0.271 73 L C 0.514 177.341 176.870 -0.071 0.000 1.169 73 L CA 0.010 54.749 54.840 -0.169 0.000 0.836 73 L CB 0.729 42.480 42.059 -0.515 0.000 1.112 73 L HN 0.730 nan 8.230 nan 0.000 0.465 74 S N 1.741 117.404 115.700 -0.062 0.000 2.536 74 S HA 0.689 5.103 4.470 -0.094 0.000 0.271 74 S C -2.509 172.071 174.600 -0.033 0.000 1.134 74 S CA -1.243 56.938 58.200 -0.031 0.000 0.897 74 S CB 1.385 64.579 63.200 -0.010 0.000 1.094 74 S HN 0.492 nan 8.310 nan 0.000 0.473 75 P HA 0.399 nan 4.420 nan 0.000 0.271 75 P C -0.455 176.828 177.300 -0.029 0.000 1.216 75 P CA -0.155 62.934 63.100 -0.019 0.000 0.776 75 P CB 1.032 32.724 31.700 -0.014 0.000 0.881 76 S N 0.356 116.054 115.700 -0.004 0.000 2.651 76 S HA 0.805 5.219 4.470 -0.094 0.000 0.291 76 S C 0.009 174.621 174.600 0.020 0.000 1.141 76 S CA 0.248 58.457 58.200 0.014 0.000 1.027 76 S CB 0.925 64.187 63.200 0.103 0.000 1.043 76 S HN 0.894 nan 8.310 nan 0.000 0.530 77 G N 1.845 110.660 108.800 0.024 0.000 2.427 77 G HA2 0.405 4.308 3.960 -0.094 0.000 0.306 77 G HA3 0.405 4.308 3.960 -0.094 0.000 0.306 77 G C -2.814 172.097 174.900 0.017 0.000 1.280 77 G CA -0.600 44.511 45.100 0.018 0.000 0.837 77 G HN 0.400 nan 8.290 nan 0.000 0.482 78 P HA 0.046 nan 4.420 nan 0.000 0.225 78 P C 0.709 178.003 177.300 -0.010 0.000 1.148 78 P CA 1.460 64.562 63.100 0.003 0.000 0.779 78 P CB 0.053 31.757 31.700 0.007 0.000 0.780 79 D N -1.795 118.592 120.400 -0.021 0.000 2.339 79 D HA 0.012 4.595 4.640 -0.094 0.000 0.217 79 D C 0.486 176.746 176.300 -0.067 0.000 1.050 79 D CA 0.077 54.055 54.000 -0.037 0.000 0.856 79 D CB 0.193 40.972 40.800 -0.035 0.000 0.922 79 D HN 0.028 nan 8.370 nan 0.000 0.518 80 R N -0.113 120.344 120.500 -0.071 0.000 2.720 80 R HA 0.258 4.542 4.340 -0.094 0.000 0.272 80 R C -0.179 176.068 176.300 -0.088 0.000 0.991 80 R CA -0.946 55.052 56.100 -0.170 0.000 1.010 80 R CB 0.103 30.236 30.300 -0.278 0.000 1.141 80 R HN 0.033 nan 8.270 nan 0.000 0.494 81 Y N -1.983 118.179 120.300 -0.230 0.000 3.929 81 Y HA -0.305 4.188 4.550 -0.095 0.000 0.225 81 Y C 0.652 176.229 175.900 -0.539 0.000 1.200 81 Y CA 0.606 58.468 58.100 -0.396 0.000 1.791 81 Y CB -2.523 35.677 38.460 -0.434 0.000 1.561 81 Y HN 0.646 nan 8.280 nan 0.000 0.657 82 S N -1.089 114.460 115.700 -0.251 0.000 2.580 82 S HA 0.035 4.449 4.470 -0.094 0.000 0.266 82 S C 1.145 175.538 174.600 -0.344 0.000 1.354 82 S CA -0.012 58.035 58.200 -0.256 0.000 1.008 82 S CB 0.655 63.787 63.200 -0.113 0.000 0.898 82 S HN 0.377 nan 8.310 nan 0.000 0.555 83 Y N 2.277 122.386 120.300 -0.318 0.000 2.069 83 Y HA -0.119 4.374 4.550 -0.095 0.000 0.278 83 Y C 2.387 178.238 175.900 -0.081 0.000 1.175 83 Y CA 2.300 60.314 58.100 -0.144 0.000 1.134 83 Y CB -1.138 37.365 38.460 0.071 0.000 0.965 83 Y HN 0.827 nan 8.280 nan 0.000 0.498 84 G N -0.703 108.109 108.800 0.020 0.000 2.422 84 G HA2 -0.331 3.573 3.960 -0.094 0.000 0.218 84 G HA3 -0.331 3.573 3.960 -0.094 0.000 0.218 84 G C 1.518 176.313 174.900 -0.175 0.000 1.146 84 G CA 0.976 46.041 45.100 -0.058 0.000 0.769 84 G HN 0.560 nan 8.290 nan 0.000 0.547 85 E N -0.293 119.817 120.200 -0.150 0.000 2.047 85 E HA -0.136 4.157 4.350 -0.094 0.000 0.191 85 E C 2.571 179.145 176.600 -0.044 0.000 0.987 85 E CA 0.858 57.203 56.400 -0.091 0.000 0.799 85 E CB -0.091 29.556 29.700 -0.088 0.000 0.752 85 E HN 0.324 nan 8.360 nan 0.000 0.449 86 Q N 0.360 120.052 119.800 -0.181 0.000 2.061 86 Q HA -0.237 4.047 4.340 -0.094 0.000 0.204 86 Q C 2.309 178.194 176.000 -0.191 0.000 0.984 86 Q CA 1.677 57.395 55.803 -0.141 0.000 0.846 86 Q CB -0.413 28.174 28.738 -0.252 0.000 0.902 86 Q HN 0.278 nan 8.270 nan 0.000 0.421 87 R N 0.679 120.907 120.500 -0.453 0.000 2.083 87 R HA -0.164 4.119 4.340 -0.094 0.000 0.237 87 R C 1.596 177.571 176.300 -0.542 0.000 1.137 87 R CA 1.791 57.461 56.100 -0.715 0.000 0.951 87 R CB -0.025 29.734 30.300 -0.901 0.000 0.851 87 R HN 0.169 nan 8.270 nan 0.000 0.434 88 D N -0.211 119.991 120.400 -0.331 0.000 2.104 88 D HA -0.182 4.401 4.640 -0.094 0.000 0.194 88 D C 1.767 177.936 176.300 -0.219 0.000 0.994 88 D CA 1.364 55.208 54.000 -0.260 0.000 0.830 88 D CB -0.321 40.308 40.800 -0.285 0.000 0.959 88 D HN 0.219 nan 8.370 nan 0.000 0.452 89 F N 0.357 120.225 119.950 -0.135 0.000 2.113 89 F HA -0.099 4.371 4.527 -0.095 0.000 0.297 89 F C 2.288 178.034 175.800 -0.089 0.000 1.103 89 F CA 0.443 58.394 58.000 -0.082 0.000 1.248 89 F CB -0.533 38.426 39.000 -0.067 0.000 0.999 89 F HN -0.061 nan 8.300 nan 0.000 0.475 90 L N -0.847 120.383 121.223 0.012 0.000 2.017 90 L HA -0.187 4.096 4.340 -0.094 0.000 0.208 90 L C 2.095 178.857 176.870 -0.181 0.000 1.073 90 L CA 1.803 56.517 54.840 -0.209 0.000 0.745 90 L CB -0.990 40.839 42.059 -0.383 0.000 0.894 90 L HN -0.027 nan 8.230 nan 0.000 0.432 91 F N 0.094 119.899 119.950 -0.241 0.000 2.216 91 F HA -0.060 4.411 4.527 -0.093 0.000 0.300 91 F C 2.551 178.402 175.800 0.084 0.000 1.085 91 F CA 0.631 58.635 58.000 0.007 0.000 1.326 91 F CB -1.668 37.453 39.000 0.202 0.000 1.027 91 F HN 0.228 nan 8.300 nan 0.000 0.497 92 A N -0.183 122.755 122.820 0.197 0.000 1.930 92 A HA -0.122 4.142 4.320 -0.094 0.000 0.217 92 A C 2.189 179.837 177.584 0.108 0.000 1.175 92 A CA 1.251 53.362 52.037 0.123 0.000 0.627 92 A CB -1.017 17.999 19.000 0.026 0.000 0.815 92 A HN 0.304 nan 8.150 nan 0.000 0.443 93 L N -1.278 119.991 121.223 0.077 0.000 2.017 93 L HA -0.117 4.166 4.340 -0.094 0.000 0.208 93 L C 2.208 179.151 176.870 0.122 0.000 1.073 93 L CA 1.796 56.668 54.840 0.053 0.000 0.745 93 L CB -0.724 41.343 42.059 0.013 0.000 0.894 93 L HN 0.563 nan 8.230 nan 0.000 0.432 94 W N 0.257 121.517 121.300 -0.067 0.000 2.342 94 W HA -0.197 4.407 4.660 -0.093 0.000 0.297 94 W C 2.558 179.025 176.519 -0.086 0.000 1.213 94 W CA 1.360 58.603 57.345 -0.171 0.000 1.251 94 W CB -1.228 28.011 29.460 -0.368 0.000 1.136 94 W HN 0.362 nan 8.180 nan 0.000 0.526 95 D N -0.518 120.020 120.400 0.229 0.000 2.117 95 D HA -0.130 4.454 4.640 -0.094 0.000 0.197 95 D C 2.230 178.586 176.300 0.092 0.000 0.987 95 D CA 2.011 56.107 54.000 0.160 0.000 0.829 95 D CB -0.345 40.554 40.800 0.165 0.000 0.961 95 D HN -0.058 nan 8.370 nan 0.000 0.460 96 A N -0.125 122.741 122.820 0.076 0.000 1.972 96 A HA -0.062 4.201 4.320 -0.094 0.000 0.219 96 A C 2.217 179.809 177.584 0.012 0.000 1.169 96 A CA 0.825 52.886 52.037 0.041 0.000 0.635 96 A CB -0.612 18.409 19.000 0.033 0.000 0.810 96 A HN 0.375 nan 8.150 nan 0.000 0.446 97 L N -1.020 120.195 121.223 -0.013 0.000 2.554 97 L HA -0.000 4.283 4.340 -0.094 0.000 0.226 97 L C 0.289 177.145 176.870 -0.023 0.000 1.137 97 L CA 0.307 55.116 54.840 -0.052 0.000 0.863 97 L CB -0.348 41.638 42.059 -0.122 0.000 0.985 97 L HN 0.371 nan 8.230 nan 0.000 0.451 98 D N 0.668 121.068 120.400 -0.001 0.000 2.927 98 D HA -0.207 4.376 4.640 -0.094 0.000 0.236 98 D C 0.759 177.049 176.300 -0.017 0.000 1.163 98 D CA 0.401 54.404 54.000 0.005 0.000 0.801 98 D CB -0.820 39.990 40.800 0.016 0.000 0.975 98 D HN 0.207 nan 8.370 nan 0.000 0.413 99 L N 0.574 121.769 121.223 -0.047 0.000 2.313 99 L HA 0.175 4.458 4.340 -0.094 0.000 0.214 99 L C 2.009 178.849 176.870 -0.051 0.000 1.119 99 L CA 0.777 55.557 54.840 -0.101 0.000 0.809 99 L CB -0.619 41.297 42.059 -0.238 0.000 0.933 99 L HN 0.668 nan 8.230 nan 0.000 0.449 100 G N 0.390 109.183 108.800 -0.013 0.000 2.681 100 G HA2 -0.242 3.662 3.960 -0.094 0.000 0.220 100 G HA3 -0.242 3.662 3.960 -0.094 0.000 0.220 100 G C -0.443 174.443 174.900 -0.023 0.000 1.353 100 G CA -0.097 45.002 45.100 -0.002 0.000 0.872 100 G HN 0.206 nan 8.290 nan 0.000 0.557 101 D N 0.266 120.615 120.400 -0.086 0.000 2.535 101 D HA 0.240 4.823 4.640 -0.094 0.000 0.229 101 D C 0.426 176.422 176.300 -0.507 0.000 1.238 101 D CA 0.078 53.928 54.000 -0.249 0.000 0.824 101 D CB 0.065 40.677 40.800 -0.314 0.000 1.045 101 D HN 0.492 nan 8.370 nan 0.000 0.500 102 H N 0.227 119.292 119.070 -0.007 0.000 2.779 102 H HA 0.225 4.724 4.556 -0.094 0.000 0.230 102 H C -0.187 175.116 175.328 -0.041 0.000 1.365 102 H CA -0.168 55.867 56.048 -0.021 0.000 1.086 102 H CB 0.740 30.483 29.762 -0.032 0.000 2.038 102 H HN -0.145 nan 8.280 nan 0.000 0.558 103 V N 2.135 122.062 119.914 0.022 0.000 2.508 103 V HA 0.041 4.105 4.120 -0.094 0.000 0.281 103 V C 0.810 176.876 176.094 -0.046 0.000 1.041 103 V CA -0.339 61.933 62.300 -0.047 0.000 1.016 103 V CB 1.646 33.423 31.823 -0.076 0.000 0.984 103 V HN 0.099 nan 8.190 nan 0.000 0.478 104 V N 7.065 126.914 119.914 -0.108 0.000 2.383 104 V HA 0.377 4.441 4.120 -0.094 0.000 0.275 104 V C 0.066 176.035 176.094 -0.208 0.000 1.036 104 V CA -0.388 61.851 62.300 -0.102 0.000 0.889 104 V CB 1.346 33.104 31.823 -0.109 0.000 0.985 104 V HN 0.615 nan 8.190 nan 0.000 0.459 105 L N 5.521 126.664 121.223 -0.133 0.000 2.307 105 L HA 0.606 4.889 4.340 -0.094 0.000 0.282 105 L C -0.541 176.192 176.870 -0.229 0.000 1.051 105 L CA -0.621 54.082 54.840 -0.228 0.000 0.804 105 L CB 1.805 43.798 42.059 -0.109 0.000 1.197 105 L HN 0.347 nan 8.230 nan 0.000 0.431 106 V N 5.291 124.948 119.914 -0.428 0.000 2.376 106 V HA 0.470 4.534 4.120 -0.094 0.000 0.287 106 V C -0.178 175.752 176.094 -0.274 0.000 1.015 106 V CA -0.341 61.694 62.300 -0.441 0.000 0.834 106 V CB 1.560 32.829 31.823 -0.925 0.000 1.001 106 V HN 0.514 nan 8.190 nan 0.000 0.428 107 L N 4.200 125.454 121.223 0.052 0.000 2.381 107 L HA 0.708 4.991 4.340 -0.094 0.000 0.268 107 L C -0.972 176.161 176.870 0.438 0.000 0.997 107 L CA -0.755 54.205 54.840 0.200 0.000 0.818 107 L CB 2.379 44.410 42.059 -0.046 0.000 1.310 107 L HN 0.671 nan 8.230 nan 0.000 0.416 108 H N 1.093 120.376 119.070 0.355 0.000 2.806 108 H HA 0.401 4.901 4.556 -0.093 0.000 0.367 108 H C -0.328 175.068 175.328 0.113 0.000 1.136 108 H CA 0.082 56.261 56.048 0.218 0.000 1.178 108 H CB 1.714 31.595 29.762 0.197 0.000 1.718 108 H HN 0.760 nan 8.280 nan 0.000 0.540 109 D N 1.954 122.099 120.400 -0.425 0.000 3.639 109 D HA -0.331 4.253 4.640 -0.094 0.000 0.162 109 D C 0.641 176.742 176.300 -0.331 0.000 1.054 109 D CA 2.354 56.094 54.000 -0.435 0.000 1.085 109 D CB -1.047 39.460 40.800 -0.488 0.000 0.547 109 D HN 0.643 nan 8.370 nan 0.000 0.595 110 W N 0.237 121.382 121.300 -0.258 0.000 2.465 110 W HA 0.156 4.755 4.660 -0.102 0.000 0.268 110 W C 2.475 178.880 176.519 -0.191 0.000 1.242 110 W CA 0.741 57.858 57.345 -0.380 0.000 1.248 110 W CB -0.505 28.224 29.460 -1.218 0.000 1.118 110 W HN 0.429 nan 8.180 nan 0.000 0.587 111 G N 0.050 108.893 108.800 0.072 0.000 2.432 111 G HA2 -0.324 3.579 3.960 -0.094 0.000 0.219 111 G HA3 -0.324 3.579 3.960 -0.094 0.000 0.219 111 G C 1.584 176.548 174.900 0.106 0.000 1.135 111 G CA 1.518 46.701 45.100 0.139 0.000 0.767 111 G HN 0.327 nan 8.290 nan 0.000 0.550 112 S N 1.168 116.867 115.700 -0.001 0.000 2.368 112 S HA 0.183 4.597 4.470 -0.094 0.000 0.224 112 S C 2.633 177.132 174.600 -0.169 0.000 1.029 112 S CA 1.399 59.438 58.200 -0.268 0.000 0.988 112 S CB -0.506 62.532 63.200 -0.271 0.000 0.838 112 S HN 0.558 nan 8.310 nan 0.000 0.462 113 A N 2.193 125.104 122.820 0.152 0.000 1.877 113 A HA 0.098 4.362 4.320 -0.094 0.000 0.216 113 A C 2.359 180.243 177.584 0.500 0.000 1.186 113 A CA 1.546 53.836 52.037 0.422 0.000 0.620 113 A CB -0.987 18.381 19.000 0.614 0.000 0.822 113 A HN 0.532 nan 8.150 nan 0.000 0.443 114 L N -0.830 120.714 121.223 0.535 0.000 2.046 114 L HA -0.130 4.154 4.340 -0.094 0.000 0.208 114 L C 2.826 180.025 176.870 0.549 0.000 1.077 114 L CA 1.209 56.378 54.840 0.548 0.000 0.747 114 L CB -0.676 41.584 42.059 0.334 0.000 0.896 114 L HN 0.505 nan 8.230 nan 0.000 0.432 115 G N -0.794 108.213 108.800 0.346 0.000 2.394 115 G HA2 -0.218 3.685 3.960 -0.094 0.000 0.215 115 G HA3 -0.218 3.685 3.960 -0.094 0.000 0.215 115 G C 1.303 176.365 174.900 0.269 0.000 1.165 115 G CA 0.227 45.524 45.100 0.329 0.000 0.784 115 G HN 0.152 nan 8.290 nan 0.000 0.535 116 F N 1.475 121.448 119.950 0.039 0.000 2.171 116 F HA 0.007 4.476 4.527 -0.096 0.000 0.300 116 F C 2.289 178.024 175.800 -0.108 0.000 1.090 116 F CA 0.862 58.747 58.000 -0.192 0.000 1.293 116 F CB -0.579 37.889 39.000 -0.886 0.000 1.013 116 F HN 0.148 nan 8.300 nan 0.000 0.486 117 D N -0.931 119.600 120.400 0.217 0.000 2.097 117 D HA -0.270 4.314 4.640 -0.094 0.000 0.195 117 D C 2.189 178.777 176.300 0.481 0.000 0.989 117 D CA 1.352 55.631 54.000 0.465 0.000 0.827 117 D CB -0.561 40.662 40.800 0.705 0.000 0.966 117 D HN 0.324 nan 8.370 nan 0.000 0.456 118 W N 1.222 122.743 121.300 0.368 0.000 2.338 118 W HA -0.132 4.471 4.660 -0.095 0.000 0.304 118 W C 2.394 178.994 176.519 0.136 0.000 1.212 118 W CA 2.663 60.074 57.345 0.110 0.000 1.264 118 W CB -0.502 28.934 29.460 -0.040 0.000 1.142 118 W HN 0.069 nan 8.180 nan 0.000 0.512 119 A N 0.073 123.112 122.820 0.366 0.000 1.902 119 A HA -0.266 3.998 4.320 -0.094 0.000 0.217 119 A C 1.821 179.187 177.584 -0.364 0.000 1.181 119 A CA 2.027 54.143 52.037 0.131 0.000 0.623 119 A CB -1.243 17.987 19.000 0.384 0.000 0.818 119 A HN 0.444 nan 8.150 nan 0.000 0.443 120 N N -0.109 118.321 118.700 -0.451 0.000 2.205 120 N HA -0.168 4.516 4.740 -0.094 0.000 0.186 120 N C 1.776 176.933 175.510 -0.590 0.000 1.015 120 N CA 1.817 54.356 53.050 -0.852 0.000 0.862 120 N CB -0.278 38.026 38.487 -0.306 0.000 0.986 120 N HN 0.646 nan 8.380 nan 0.000 0.429 121 Q N -1.615 117.942 119.800 -0.406 0.000 2.389 121 Q HA 0.006 4.289 4.340 -0.094 0.000 0.204 121 Q C -0.056 175.403 176.000 -0.901 0.000 0.944 121 Q CA 0.695 56.168 55.803 -0.551 0.000 0.908 121 Q CB 0.257 28.720 28.738 -0.459 0.000 1.002 121 Q HN 0.617 nan 8.270 nan 0.000 0.493 122 H N -1.080 117.611 119.070 -0.632 0.000 2.535 122 H HA 0.280 4.779 4.556 -0.095 0.000 0.232 122 H C 0.246 175.295 175.328 -0.465 0.000 1.405 122 H CA -0.299 55.353 56.048 -0.659 0.000 1.224 122 H CB 0.445 29.493 29.762 -1.191 0.000 1.763 122 H HN 0.011 nan 8.280 nan 0.000 0.529 123 R N 0.558 120.865 120.500 -0.321 0.000 2.120 123 R HA -0.114 4.170 4.340 -0.094 0.000 0.234 123 R C 1.103 177.365 176.300 -0.063 0.000 1.123 123 R CA 1.581 57.559 56.100 -0.203 0.000 0.975 123 R CB 0.071 30.227 30.300 -0.241 0.000 0.866 123 R HN 0.522 nan 8.270 nan 0.000 0.446 124 D N 0.053 120.392 120.400 -0.102 0.000 2.378 124 D HA -0.128 4.455 4.640 -0.094 0.000 0.227 124 D C 1.191 177.432 176.300 -0.098 0.000 1.012 124 D CA 0.676 54.630 54.000 -0.076 0.000 0.905 124 D CB -0.051 40.698 40.800 -0.084 0.000 0.895 124 D HN 0.177 nan 8.370 nan 0.000 0.532 125 R N -0.241 120.199 120.500 -0.099 0.000 2.397 125 R HA 0.251 4.534 4.340 -0.094 0.000 0.241 125 R C -0.235 176.060 176.300 -0.007 0.000 0.914 125 R CA -0.113 55.931 56.100 -0.093 0.000 1.071 125 R CB 1.499 31.738 30.300 -0.101 0.000 1.116 125 R HN 0.014 nan 8.270 nan 0.000 0.524 126 V N 1.354 121.296 119.914 0.046 0.000 2.398 126 V HA 0.115 4.178 4.120 -0.094 0.000 0.286 126 V C 0.800 176.957 176.094 0.105 0.000 1.026 126 V CA -0.291 62.084 62.300 0.126 0.000 0.868 126 V CB 1.690 33.646 31.823 0.222 0.000 0.982 126 V HN 0.166 nan 8.190 nan 0.000 0.443 127 Q N 3.436 123.286 119.800 0.084 0.000 2.297 127 Q HA 0.334 4.618 4.340 -0.094 0.000 0.203 127 Q C 0.709 176.736 176.000 0.046 0.000 0.931 127 Q CA 0.962 56.803 55.803 0.064 0.000 0.885 127 Q CB 0.794 29.563 28.738 0.052 0.000 0.991 127 Q HN 0.945 nan 8.270 nan 0.000 0.498 128 G N 0.128 108.981 108.800 0.089 0.000 2.579 128 G HA2 0.469 4.373 3.960 -0.094 0.000 0.292 128 G HA3 0.469 4.373 3.960 -0.094 0.000 0.292 128 G C -1.745 173.346 174.900 0.318 0.000 1.484 128 G CA -0.754 44.464 45.100 0.196 0.000 0.813 128 G HN 0.134 nan 8.290 nan 0.000 0.515 129 I N 0.857 121.701 120.570 0.457 0.000 2.499 129 I HA 0.603 4.716 4.170 -0.094 0.000 0.288 129 I C 0.238 176.559 176.117 0.340 0.000 1.048 129 I CA -0.989 60.536 61.300 0.376 0.000 1.062 129 I CB 2.172 40.417 38.000 0.408 0.000 1.238 129 I HN 0.703 nan 8.210 nan 0.000 0.426 130 A N 7.064 129.996 122.820 0.187 0.000 2.304 130 A HA 0.892 5.155 4.320 -0.094 0.000 0.323 130 A C -0.901 176.784 177.584 0.168 0.000 1.195 130 A CA -0.309 51.721 52.037 -0.013 0.000 0.826 130 A CB 0.512 19.437 19.000 -0.126 0.000 1.184 130 A HN 0.642 nan 8.150 nan 0.000 0.496 131 F N 0.656 120.666 119.950 0.100 0.000 2.613 131 F HA 0.855 5.325 4.527 -0.095 0.000 0.310 131 F C -0.753 175.186 175.800 0.232 0.000 1.085 131 F CA -1.314 56.790 58.000 0.172 0.000 0.945 131 F CB 1.829 40.983 39.000 0.255 0.000 1.298 131 F HN 0.629 nan 8.300 nan 0.000 0.455 132 M N 0.821 120.651 119.600 0.383 0.000 2.365 132 M HA 0.472 4.896 4.480 -0.094 0.000 0.287 132 M C -1.058 175.443 176.300 0.334 0.000 1.154 132 M CA -0.567 54.895 55.300 0.271 0.000 0.941 132 M CB 2.289 34.966 32.600 0.129 0.000 1.704 132 M HN 0.803 nan 8.290 nan 0.000 0.479 133 E N 0.425 120.779 120.200 0.257 0.000 2.183 133 E HA -0.172 4.122 4.350 -0.094 0.000 0.196 133 E C -0.732 175.924 176.600 0.093 0.000 1.364 133 E CA 1.162 57.647 56.400 0.141 0.000 0.700 133 E CB -1.181 28.506 29.700 -0.021 0.000 1.106 133 E HN 0.825 nan 8.360 nan 0.000 0.347 134 A N 0.503 123.445 122.820 0.205 0.000 2.299 134 A HA 0.744 5.008 4.320 -0.094 0.000 0.332 134 A C 0.368 178.028 177.584 0.128 0.000 1.131 134 A CA -0.635 51.510 52.037 0.180 0.000 0.844 134 A CB 0.941 20.171 19.000 0.383 0.000 1.251 134 A HN 0.240 nan 8.150 nan 0.000 0.486 135 I N 1.962 122.592 120.570 0.100 0.000 2.291 135 I HA 0.215 4.329 4.170 -0.094 0.000 0.292 135 I C 0.858 177.178 176.117 0.340 0.000 1.064 135 I CA -0.044 61.309 61.300 0.087 0.000 1.269 135 I CB 1.143 39.050 38.000 -0.155 0.000 1.418 135 I HN 0.529 nan 8.210 nan 0.000 0.485 136 V N 1.279 121.348 119.914 0.258 0.000 3.548 136 V HA 0.356 4.420 4.120 -0.094 0.000 0.279 136 V C 0.398 176.662 176.094 0.283 0.000 1.446 136 V CA 0.155 62.663 62.300 0.346 0.000 1.023 136 V CB 0.628 32.586 31.823 0.223 0.000 0.820 136 V HN 0.706 nan 8.190 nan 0.000 0.438 137 T N 0.782 115.397 114.554 0.100 0.000 2.957 137 T HA 0.533 4.827 4.350 -0.094 0.000 0.336 137 T C -3.225 171.426 174.700 -0.081 0.000 1.462 137 T CA -0.758 61.320 62.100 -0.037 0.000 1.073 137 T CB 1.975 70.743 68.868 -0.166 0.000 1.319 137 T HN 0.139 nan 8.240 nan 0.000 0.485 138 P HA 0.349 nan 4.420 nan 0.000 0.268 138 P C -0.695 176.536 177.300 -0.115 0.000 1.208 138 P CA 0.017 63.051 63.100 -0.110 0.000 0.777 138 P CB 0.319 31.953 31.700 -0.110 0.000 0.875 139 M N 0.680 120.206 119.600 -0.124 0.000 2.716 139 M HA 0.459 4.882 4.480 -0.094 0.000 0.307 139 M C 0.505 176.701 176.300 -0.173 0.000 1.223 139 M CA -0.530 54.694 55.300 -0.126 0.000 0.871 139 M CB 2.425 34.962 32.600 -0.105 0.000 1.739 139 M HN 0.337 nan 8.290 nan 0.000 0.475 140 T N -3.187 111.287 114.554 -0.133 0.000 2.938 140 T HA 0.402 4.695 4.350 -0.094 0.000 0.285 140 T C 0.092 174.711 174.700 -0.135 0.000 1.028 140 T CA -0.584 61.426 62.100 -0.149 0.000 1.005 140 T CB 0.851 69.704 68.868 -0.025 0.000 1.157 140 T HN 0.764 nan 8.240 nan 0.000 0.550 141 W N 0.122 121.449 121.300 0.045 0.000 2.465 141 W HA 0.184 4.843 4.660 -0.002 0.000 0.268 141 W C 2.675 179.264 176.519 0.116 0.000 1.242 141 W CA 0.446 57.839 57.345 0.080 0.000 1.248 141 W CB -0.405 29.079 29.460 0.041 0.000 1.118 141 W HN 0.905 nan 8.180 nan 0.000 0.587 142 A N 0.098 123.062 122.820 0.240 0.000 2.019 142 A HA -0.197 4.067 4.320 -0.094 0.000 0.219 142 A C 1.586 179.248 177.584 0.129 0.000 1.164 142 A CA 1.856 53.989 52.037 0.161 0.000 0.644 142 A CB -0.547 18.510 19.000 0.096 0.000 0.805 142 A HN 0.185 nan 8.150 nan 0.000 0.449 143 D N -1.976 118.496 120.400 0.121 0.000 2.317 143 D HA -0.045 4.538 4.640 -0.094 0.000 0.211 143 D C 0.359 176.724 176.300 0.109 0.000 0.966 143 D CA 0.151 54.201 54.000 0.084 0.000 0.876 143 D CB -0.063 40.767 40.800 0.049 0.000 0.927 143 D HN 0.660 nan 8.370 nan 0.000 0.519 144 W N 2.251 123.553 121.300 0.004 0.000 2.376 144 W HA 0.204 4.819 4.660 -0.075 0.000 0.322 144 W C -2.449 174.083 176.519 0.022 0.000 1.160 144 W CA -2.253 55.092 57.345 0.000 0.000 1.218 144 W CB 1.136 30.678 29.460 0.136 0.000 1.205 144 W HN -0.231 nan 8.180 nan 0.000 0.559 145 P HA -0.019 nan 4.420 nan 0.000 0.260 145 P C -1.945 175.347 177.300 -0.014 0.000 1.185 145 P CA -0.375 62.567 63.100 -0.264 0.000 0.763 145 P CB 0.218 31.669 31.700 -0.416 0.000 0.776 146 P HA -0.234 nan 4.420 nan 0.000 0.216 146 P C 1.219 178.563 177.300 0.074 0.000 1.150 146 P CA 1.846 64.991 63.100 0.074 0.000 0.843 146 P CB -0.285 31.439 31.700 0.040 0.000 0.787 147 A N -0.723 122.124 122.820 0.045 0.000 2.067 147 A HA -0.060 4.203 4.320 -0.094 0.000 0.219 147 A C 1.739 179.375 177.584 0.086 0.000 1.158 147 A CA 1.807 53.872 52.037 0.046 0.000 0.661 147 A CB -1.045 17.972 19.000 0.028 0.000 0.801 147 A HN 0.246 nan 8.150 nan 0.000 0.452 148 V N -4.643 115.367 119.914 0.160 0.000 3.159 148 V HA 0.281 4.345 4.120 -0.094 0.000 0.333 148 V C 1.339 177.716 176.094 0.472 0.000 1.424 148 V CA -0.050 62.434 62.300 0.307 0.000 1.125 148 V CB -0.503 31.572 31.823 0.420 0.000 1.075 148 V HN 0.379 nan 8.190 nan 0.000 0.482 149 R N 1.783 122.490 120.500 0.346 0.000 2.083 149 R HA -0.021 4.263 4.340 -0.094 0.000 0.237 149 R C 2.417 178.666 176.300 -0.085 0.000 1.137 149 R CA 2.040 58.261 56.100 0.202 0.000 0.951 149 R CB -0.718 29.635 30.300 0.089 0.000 0.851 149 R HN 0.610 nan 8.270 nan 0.000 0.434 150 G N 0.355 109.109 108.800 -0.078 0.000 2.422 150 G HA2 -0.205 3.698 3.960 -0.094 0.000 0.218 150 G HA3 -0.205 3.698 3.960 -0.094 0.000 0.218 150 G C 1.482 176.277 174.900 -0.176 0.000 1.146 150 G CA 0.643 45.647 45.100 -0.161 0.000 0.769 150 G HN 0.129 nan 8.290 nan 0.000 0.547 151 V N 0.195 120.029 119.914 -0.132 0.000 2.295 151 V HA -0.120 3.943 4.120 -0.094 0.000 0.246 151 V C 2.484 178.271 176.094 -0.511 0.000 1.049 151 V CA 1.584 63.667 62.300 -0.362 0.000 1.024 151 V CB -0.555 31.089 31.823 -0.298 0.000 0.648 151 V HN 0.327 nan 8.190 nan 0.000 0.447 152 F N 0.130 119.988 119.950 -0.153 0.000 2.259 152 F HA -0.115 4.346 4.527 -0.109 0.000 0.298 152 F C 2.546 178.376 175.800 0.050 0.000 1.088 152 F CA 1.268 59.325 58.000 0.095 0.000 1.358 152 F CB -0.472 38.663 39.000 0.224 0.000 1.040 152 F HN 0.163 nan 8.300 nan 0.000 0.505 153 Q N -0.305 119.434 119.800 -0.102 0.000 2.167 153 Q HA -0.096 4.187 4.340 -0.094 0.000 0.202 153 Q C 2.626 178.581 176.000 -0.075 0.000 0.970 153 Q CA 1.228 56.922 55.803 -0.183 0.000 0.855 153 Q CB -0.676 27.776 28.738 -0.477 0.000 0.911 153 Q HN 0.498 nan 8.270 nan 0.000 0.438 154 G N 0.372 109.078 108.800 -0.157 0.000 2.421 154 G HA2 -0.237 3.666 3.960 -0.094 0.000 0.216 154 G HA3 -0.237 3.666 3.960 -0.094 0.000 0.216 154 G C 0.945 175.821 174.900 -0.040 0.000 1.171 154 G CA 0.561 45.566 45.100 -0.158 0.000 0.775 154 G HN 0.214 nan 8.290 nan 0.000 0.543 155 F N 1.034 120.971 119.950 -0.021 0.000 2.161 155 F HA 0.040 4.516 4.527 -0.085 0.000 0.300 155 F C 2.373 178.208 175.800 0.059 0.000 1.089 155 F CA 0.777 58.781 58.000 0.006 0.000 1.282 155 F CB -0.258 38.733 39.000 -0.015 0.000 1.010 155 F HN 0.002 nan 8.300 nan 0.000 0.485 156 R N 0.412 121.075 120.500 0.271 0.000 3.732 156 R HA 0.210 4.493 4.340 -0.094 0.000 0.258 156 R C -0.070 176.312 176.300 0.137 0.000 1.661 156 R CA 0.171 56.399 56.100 0.214 0.000 1.424 156 R CB -0.342 30.119 30.300 0.269 0.000 1.308 156 R HN 0.245 nan 8.270 nan 0.000 0.634 157 S N -2.514 113.253 115.700 0.112 0.000 2.656 157 S HA 0.369 4.783 4.470 -0.094 0.000 0.273 157 S C -2.524 172.116 174.600 0.067 0.000 1.168 157 S CA -1.374 56.867 58.200 0.069 0.000 0.817 157 S CB 2.054 65.275 63.200 0.035 0.000 1.146 157 S HN -0.220 nan 8.310 nan 0.000 0.475 158 P HA -0.015 nan 4.420 nan 0.000 0.223 158 P C 0.924 178.253 177.300 0.048 0.000 1.144 158 P CA 1.075 64.201 63.100 0.044 0.000 0.783 158 P CB -0.099 31.619 31.700 0.031 0.000 0.771 159 Q N -1.222 118.604 119.800 0.043 0.000 2.436 159 Q HA -0.008 4.276 4.340 -0.094 0.000 0.209 159 Q C 2.266 178.315 176.000 0.082 0.000 0.965 159 Q CA 1.057 56.885 55.803 0.042 0.000 0.910 159 Q CB -0.741 28.001 28.738 0.006 0.000 0.980 159 Q HN 0.284 nan 8.270 nan 0.000 0.491 160 G N 0.976 109.848 108.800 0.120 0.000 2.432 160 G HA2 -0.271 3.632 3.960 -0.094 0.000 0.219 160 G HA3 -0.271 3.632 3.960 -0.094 0.000 0.219 160 G C 1.064 176.068 174.900 0.174 0.000 1.135 160 G CA 0.663 45.898 45.100 0.225 0.000 0.767 160 G HN 0.236 nan 8.290 nan 0.000 0.550 161 E N 0.761 121.021 120.200 0.100 0.000 2.017 161 E HA -0.071 4.223 4.350 -0.094 0.000 0.193 161 E C 0.325 176.962 176.600 0.061 0.000 0.997 161 E CA 1.727 58.164 56.400 0.062 0.000 0.804 161 E CB -0.692 29.031 29.700 0.038 0.000 0.757 161 E HN 0.353 nan 8.360 nan 0.000 0.448 162 P HA -0.163 nan 4.420 nan 0.000 0.217 162 P C 1.305 178.694 177.300 0.148 0.000 1.150 162 P CA 1.498 64.638 63.100 0.068 0.000 0.832 162 P CB -0.046 31.710 31.700 0.094 0.000 0.787 163 M N -0.728 118.988 119.600 0.193 0.000 2.080 163 M HA -0.146 4.277 4.480 -0.094 0.000 0.260 163 M C 2.260 178.730 176.300 0.283 0.000 1.068 163 M CA 2.407 57.855 55.300 0.247 0.000 1.109 163 M CB -0.741 31.982 32.600 0.206 0.000 1.342 163 M HN -0.052 nan 8.290 nan 0.000 0.405 164 A N -0.132 122.833 122.820 0.242 0.000 1.871 164 A HA 0.067 4.331 4.320 -0.094 0.000 0.211 164 A C 1.983 179.586 177.584 0.032 0.000 1.207 164 A CA 0.643 52.754 52.037 0.124 0.000 0.620 164 A CB -0.639 18.354 19.000 -0.011 0.000 0.860 164 A HN 0.401 nan 8.150 nan 0.000 0.450 165 L N -0.778 120.452 121.223 0.013 0.000 2.109 165 L HA -0.078 4.206 4.340 -0.094 0.000 0.207 165 L C 2.589 179.434 176.870 -0.041 0.000 1.086 165 L CA 1.794 56.624 54.840 -0.016 0.000 0.760 165 L CB -0.417 41.634 42.059 -0.013 0.000 0.910 165 L HN 0.612 nan 8.230 nan 0.000 0.437 166 E N -0.760 119.385 120.200 -0.092 0.000 2.075 166 E HA -0.120 4.173 4.350 -0.094 0.000 0.190 166 E C 1.945 178.371 176.600 -0.291 0.000 0.969 166 E CA 0.452 56.705 56.400 -0.246 0.000 0.815 166 E CB 0.262 29.720 29.700 -0.404 0.000 0.776 166 E HN 0.492 nan 8.360 nan 0.000 0.457 167 H N -0.302 118.793 119.070 0.043 0.000 2.575 167 H HA 0.126 4.625 4.556 -0.096 0.000 0.267 167 H C 0.471 175.832 175.328 0.055 0.000 0.966 167 H CA 0.509 56.583 56.048 0.043 0.000 1.165 167 H CB 0.466 30.250 29.762 0.037 0.000 1.433 167 H HN 0.191 nan 8.280 nan 0.000 0.544 168 N N 0.640 119.421 118.700 0.135 0.000 2.735 168 N HA -0.185 4.499 4.740 -0.094 0.000 0.248 168 N C 0.841 176.436 175.510 0.142 0.000 1.083 168 N CA 0.251 53.361 53.050 0.099 0.000 0.703 168 N CB -1.780 36.758 38.487 0.084 0.000 1.005 168 N HN 0.374 nan 8.380 nan 0.000 0.550 169 I N -0.926 119.767 120.570 0.205 0.000 2.493 169 I HA -0.224 3.889 4.170 -0.094 0.000 0.254 169 I C 1.989 178.240 176.117 0.222 0.000 1.160 169 I CA 0.865 62.281 61.300 0.193 0.000 1.445 169 I CB -0.251 37.855 38.000 0.177 0.000 1.086 169 I HN 0.253 nan 8.210 nan 0.000 0.433 170 F N 0.463 120.511 119.950 0.162 0.000 2.102 170 F HA -0.260 4.211 4.527 -0.094 0.000 0.298 170 F C 2.375 178.198 175.800 0.038 0.000 1.105 170 F CA 1.538 59.589 58.000 0.086 0.000 1.239 170 F CB 0.004 38.913 39.000 -0.151 0.000 0.991 170 F HN -0.221 nan 8.300 nan 0.000 0.474 171 V N -0.422 119.624 119.914 0.219 0.000 2.323 171 V HA -0.201 3.863 4.120 -0.094 0.000 0.244 171 V C 2.098 178.251 176.094 0.098 0.000 1.041 171 V CA 1.764 64.142 62.300 0.129 0.000 1.025 171 V CB -0.457 31.433 31.823 0.112 0.000 0.656 171 V HN 0.238 nan 8.190 nan 0.000 0.451 172 E N -0.317 119.943 120.200 0.101 0.000 2.216 172 E HA -0.032 4.261 4.350 -0.094 0.000 0.192 172 E C 2.219 178.854 176.600 0.058 0.000 0.988 172 E CA 0.660 57.105 56.400 0.075 0.000 0.834 172 E CB 0.113 29.860 29.700 0.079 0.000 0.772 172 E HN 0.446 nan 8.360 nan 0.000 0.479 173 R N -0.559 119.978 120.500 0.062 0.000 2.306 173 R HA 0.168 4.451 4.340 -0.094 0.000 0.183 173 R C 2.397 178.728 176.300 0.052 0.000 0.937 173 R CA 0.331 56.456 56.100 0.042 0.000 1.118 173 R CB -0.603 29.709 30.300 0.020 0.000 1.224 173 R HN -0.029 nan 8.270 nan 0.000 0.597 174 V N 2.639 122.583 119.914 0.050 0.000 2.307 174 V HA -0.190 3.874 4.120 -0.094 0.000 0.245 174 V C 2.463 178.683 176.094 0.211 0.000 1.045 174 V CA 1.631 63.977 62.300 0.077 0.000 1.024 174 V CB -0.642 31.067 31.823 -0.189 0.000 0.651 174 V HN 0.092 nan 8.190 nan 0.000 0.449 175 L N 1.975 123.288 121.223 0.150 0.000 1.970 175 L HA -0.070 4.214 4.340 -0.094 0.000 0.212 175 L C -0.012 176.819 176.870 -0.066 0.000 1.071 175 L CA 2.613 57.382 54.840 -0.118 0.000 0.751 175 L CB -1.868 39.986 42.059 -0.342 0.000 0.889 175 L HN 0.276 nan 8.230 nan 0.000 0.432 176 P HA -0.050 nan 4.420 nan 0.000 0.223 176 P C 1.555 178.889 177.300 0.057 0.000 1.151 176 P CA 1.691 64.792 63.100 0.003 0.000 0.787 176 P CB -0.413 31.291 31.700 0.006 0.000 0.788 177 G N 0.280 109.131 108.800 0.085 0.000 2.509 177 G HA2 -0.028 3.876 3.960 -0.094 0.000 0.218 177 G HA3 -0.028 3.876 3.960 -0.094 0.000 0.218 177 G C 1.245 176.220 174.900 0.126 0.000 1.124 177 G CA 0.634 45.788 45.100 0.090 0.000 0.776 177 G HN 0.412 nan 8.290 nan 0.000 0.547 178 A N -0.061 122.891 122.820 0.220 0.000 2.713 178 A HA 0.678 4.941 4.320 -0.094 0.000 0.296 178 A C 0.038 177.808 177.584 0.310 0.000 1.255 178 A CA -0.361 51.843 52.037 0.279 0.000 0.955 178 A CB 0.029 19.266 19.000 0.394 0.000 1.149 178 A HN 0.221 nan 8.150 nan 0.000 0.538 179 I N -0.095 120.586 120.570 0.186 0.000 2.498 179 I HA 0.246 4.360 4.170 -0.094 0.000 0.290 179 I C 0.835 176.985 176.117 0.054 0.000 1.032 179 I CA -0.569 60.799 61.300 0.113 0.000 1.073 179 I CB 2.150 40.187 38.000 0.062 0.000 1.251 179 I HN 0.162 nan 8.210 nan 0.000 0.426 180 L N 4.357 125.601 121.223 0.036 0.000 2.027 180 L HA -0.033 4.250 4.340 -0.094 0.000 0.206 180 L C 1.529 178.400 176.870 0.001 0.000 1.074 180 L CA 1.098 55.951 54.840 0.021 0.000 0.745 180 L CB -0.460 41.613 42.059 0.023 0.000 0.898 180 L HN 0.651 nan 8.230 nan 0.000 0.433 181 R N 0.688 121.171 120.500 -0.028 0.000 2.726 181 R HA 0.148 4.432 4.340 -0.094 0.000 0.272 181 R C 0.014 176.274 176.300 -0.066 0.000 1.097 181 R CA -0.465 55.596 56.100 -0.065 0.000 1.198 181 R CB 0.399 30.604 30.300 -0.158 0.000 1.114 181 R HN 0.033 nan 8.270 nan 0.000 0.550 182 Q N 1.609 121.372 119.800 -0.063 0.000 2.279 182 Q HA 0.211 4.494 4.340 -0.094 0.000 0.256 182 Q C -0.617 175.339 176.000 -0.074 0.000 0.937 182 Q CA -0.491 55.284 55.803 -0.047 0.000 0.933 182 Q CB 0.990 29.715 28.738 -0.021 0.000 1.189 182 Q HN 0.510 nan 8.270 nan 0.000 0.417 183 L N 2.343 123.537 121.223 -0.048 0.000 2.467 183 L HA 0.122 4.405 4.340 -0.094 0.000 0.270 183 L C 0.804 177.673 176.870 -0.003 0.000 1.205 183 L CA -0.248 54.572 54.840 -0.033 0.000 0.828 183 L CB 0.760 42.845 42.059 0.044 0.000 1.101 183 L HN 0.737 nan 8.230 nan 0.000 0.479 184 S N -0.010 115.697 115.700 0.011 0.000 2.584 184 S HA 0.013 4.427 4.470 -0.094 0.000 0.270 184 S C 0.649 175.278 174.600 0.049 0.000 1.346 184 S CA -0.718 57.502 58.200 0.033 0.000 1.018 184 S CB 0.943 64.172 63.200 0.048 0.000 0.899 184 S HN 0.588 nan 8.310 nan 0.000 0.542 185 D N 1.377 121.801 120.400 0.039 0.000 2.149 185 D HA -0.105 4.478 4.640 -0.094 0.000 0.198 185 D C 1.781 178.104 176.300 0.038 0.000 0.990 185 D CA 1.670 55.691 54.000 0.034 0.000 0.839 185 D CB -0.373 40.440 40.800 0.022 0.000 0.948 185 D HN 0.759 nan 8.370 nan 0.000 0.460 186 E N 0.766 120.998 120.200 0.053 0.000 2.077 186 E HA -0.150 4.143 4.350 -0.094 0.000 0.193 186 E C 2.055 178.737 176.600 0.138 0.000 0.989 186 E CA 0.948 57.392 56.400 0.073 0.000 0.800 186 E CB -0.062 29.699 29.700 0.101 0.000 0.746 186 E HN 0.412 nan 8.360 nan 0.000 0.452 187 E N -0.274 120.021 120.200 0.158 0.000 2.047 187 E HA -0.177 4.117 4.350 -0.094 0.000 0.191 187 E C 1.933 178.614 176.600 0.135 0.000 0.987 187 E CA 1.061 57.587 56.400 0.210 0.000 0.799 187 E CB -0.102 29.728 29.700 0.217 0.000 0.752 187 E HN 0.125 nan 8.360 nan 0.000 0.449 188 M N 1.488 121.173 119.600 0.143 0.000 2.149 188 M HA -0.142 4.282 4.480 -0.094 0.000 0.261 188 M C 1.345 177.686 176.300 0.069 0.000 1.064 188 M CA 1.433 56.825 55.300 0.155 0.000 1.102 188 M CB -0.162 32.499 32.600 0.101 0.000 1.369 188 M HN -0.048 nan 8.290 nan 0.000 0.408 189 N N -0.800 117.893 118.700 -0.012 0.000 2.223 189 N HA -0.157 4.526 4.740 -0.094 0.000 0.185 189 N C 1.705 177.075 175.510 -0.232 0.000 1.016 189 N CA 1.163 54.148 53.050 -0.107 0.000 0.863 189 N CB -0.647 37.755 38.487 -0.141 0.000 0.983 189 N HN 0.562 nan 8.380 nan 0.000 0.429 190 H N -0.719 118.137 119.070 -0.356 0.000 2.389 190 H HA -0.047 4.452 4.556 -0.095 0.000 0.299 190 H C 1.333 176.325 175.328 -0.560 0.000 1.081 190 H CA 1.079 56.727 56.048 -0.666 0.000 1.345 190 H CB -0.028 28.838 29.762 -1.493 0.000 1.393 190 H HN 0.289 nan 8.280 nan 0.000 0.520 191 Y N 0.778 120.983 120.300 -0.157 0.000 2.314 191 Y HA -0.045 4.450 4.550 -0.092 0.000 0.293 191 Y C 2.650 178.566 175.900 0.027 0.000 1.129 191 Y CA 0.594 58.667 58.100 -0.046 0.000 1.201 191 Y CB -0.101 38.361 38.460 0.005 0.000 0.999 191 Y HN 0.015 nan 8.280 nan 0.000 0.541 192 R N -0.308 120.278 120.500 0.143 0.000 2.148 192 R HA -0.102 4.181 4.340 -0.094 0.000 0.223 192 R C 2.337 178.652 176.300 0.025 0.000 1.088 192 R CA 0.693 56.868 56.100 0.125 0.000 0.985 192 R CB -0.204 30.136 30.300 0.067 0.000 0.880 192 R HN 0.269 nan 8.270 nan 0.000 0.451 193 R N 1.232 121.678 120.500 -0.091 0.000 2.113 193 R HA -0.135 4.148 4.340 -0.094 0.000 0.244 193 R C -0.814 175.359 176.300 -0.211 0.000 1.142 193 R CA 1.727 57.735 56.100 -0.154 0.000 0.953 193 R CB -0.967 29.210 30.300 -0.205 0.000 0.860 193 R HN 0.138 nan 8.270 nan 0.000 0.438 194 P HA -0.072 nan 4.420 nan 0.000 0.230 194 P C -0.118 176.753 177.300 -0.714 0.000 1.158 194 P CA 1.140 63.833 63.100 -0.679 0.000 0.769 194 P CB 0.143 31.164 31.700 -1.131 0.000 0.807 195 F N -3.497 116.447 119.950 -0.010 0.000 2.817 195 F HA 0.163 4.636 4.527 -0.089 0.000 0.319 195 F C 1.630 177.427 175.800 -0.006 0.000 1.136 195 F CA -0.369 57.625 58.000 -0.009 0.000 1.177 195 F CB -0.733 38.269 39.000 0.002 0.000 1.088 195 F HN -0.352 nan 8.300 nan 0.000 0.520 196 V N -0.231 119.734 119.914 0.084 0.000 2.407 196 V HA -0.186 3.877 4.120 -0.094 0.000 0.248 196 V C 1.053 177.177 176.094 0.050 0.000 1.055 196 V CA 1.309 63.641 62.300 0.052 0.000 1.049 196 V CB -0.467 31.358 31.823 0.003 0.000 0.662 196 V HN 0.271 nan 8.190 nan 0.000 0.455 197 N N 1.025 119.753 118.700 0.047 0.000 2.488 197 N HA 0.260 4.943 4.740 -0.094 0.000 0.274 197 N C 0.382 175.920 175.510 0.046 0.000 1.111 197 N CA 0.425 53.496 53.050 0.035 0.000 0.974 197 N CB 1.449 39.951 38.487 0.024 0.000 1.089 197 N HN 0.332 nan 8.380 nan 0.000 0.465 198 G N 0.260 109.075 108.800 0.025 0.000 2.614 198 G HA2 0.412 4.316 3.960 -0.094 0.000 0.239 198 G HA3 0.412 4.316 3.960 -0.094 0.000 0.239 198 G C 0.728 175.635 174.900 0.011 0.000 1.240 198 G CA 0.466 45.573 45.100 0.011 0.000 0.842 198 G HN 0.767 nan 8.290 nan 0.000 0.584 199 G N 0.487 109.288 108.800 0.003 0.000 2.466 199 G HA2 -0.212 3.692 3.960 -0.094 0.000 0.218 199 G HA3 -0.212 3.692 3.960 -0.094 0.000 0.218 199 G C 0.836 175.747 174.900 0.018 0.000 1.237 199 G CA 0.372 45.475 45.100 0.005 0.000 0.954 199 G HN 0.592 nan 8.290 nan 0.000 0.580 200 E N 0.613 120.829 120.200 0.027 0.000 2.265 200 E HA -0.071 4.223 4.350 -0.094 0.000 0.196 200 E C 1.955 178.589 176.600 0.058 0.000 0.996 200 E CA 1.296 57.721 56.400 0.041 0.000 0.832 200 E CB -0.293 29.440 29.700 0.055 0.000 0.756 200 E HN 0.484 nan 8.360 nan 0.000 0.491 201 D N 0.608 121.050 120.400 0.070 0.000 2.228 201 D HA -0.158 4.425 4.640 -0.094 0.000 0.203 201 D C 1.483 177.891 176.300 0.180 0.000 0.988 201 D CA 0.928 54.994 54.000 0.109 0.000 0.864 201 D CB -0.118 40.743 40.800 0.102 0.000 0.928 201 D HN 0.138 nan 8.370 nan 0.000 0.469 202 R N -0.391 120.161 120.500 0.087 0.000 2.317 202 R HA 0.146 4.430 4.340 -0.094 0.000 0.208 202 R C 1.792 177.969 176.300 -0.206 0.000 0.914 202 R CA -0.163 55.902 56.100 -0.058 0.000 1.060 202 R CB 0.269 30.518 30.300 -0.084 0.000 1.015 202 R HN -0.092 nan 8.270 nan 0.000 0.498 203 R N 1.834 122.240 120.500 -0.157 0.000 2.103 203 R HA -0.089 4.195 4.340 -0.094 0.000 0.242 203 R C -1.001 175.059 176.300 -0.400 0.000 1.142 203 R CA 1.665 57.647 56.100 -0.198 0.000 0.960 203 R CB -1.158 29.120 30.300 -0.037 0.000 0.858 203 R HN 0.114 nan 8.270 nan 0.000 0.439 204 P HA -0.102 nan 4.420 nan 0.000 0.218 204 P C 0.934 177.985 177.300 -0.415 0.000 1.148 204 P CA 2.107 64.786 63.100 -0.703 0.000 0.822 204 P CB -0.321 31.020 31.700 -0.598 0.000 0.784 205 T N -3.235 111.050 114.554 -0.447 0.000 2.962 205 T HA -0.111 4.182 4.350 -0.094 0.000 0.270 205 T C 1.582 176.010 174.700 -0.454 0.000 1.088 205 T CA 0.806 62.596 62.100 -0.515 0.000 1.127 205 T CB -0.787 67.681 68.868 -0.667 0.000 0.883 205 T HN -0.050 nan 8.240 nan 0.000 0.493 206 L N 0.675 121.691 121.223 -0.345 0.000 2.286 206 L HA 0.413 4.697 4.340 -0.094 0.000 0.203 206 L C 2.564 179.340 176.870 -0.156 0.000 1.068 206 L CA 1.097 55.777 54.840 -0.266 0.000 0.811 206 L CB -0.676 41.289 42.059 -0.157 0.000 0.989 206 L HN 0.165 nan 8.230 nan 0.000 0.467 207 S N -0.675 114.908 115.700 -0.194 0.000 2.370 207 S HA -0.226 4.187 4.470 -0.094 0.000 0.226 207 S C 1.651 176.149 174.600 -0.170 0.000 1.033 207 S CA 1.928 60.009 58.200 -0.197 0.000 1.011 207 S CB -0.651 62.379 63.200 -0.283 0.000 0.852 207 S HN 0.591 nan 8.310 nan 0.000 0.457 208 W N 2.206 123.348 121.300 -0.263 0.000 2.333 208 W HA -0.106 4.494 4.660 -0.100 0.000 0.316 208 W C -0.596 175.931 176.519 0.014 0.000 1.215 208 W CA 0.675 57.796 57.345 -0.374 0.000 1.278 208 W CB -1.281 27.933 29.460 -0.411 0.000 1.154 208 W HN 0.281 nan 8.180 nan 0.000 0.486 209 P HA -0.142 nan 4.420 nan 0.000 0.220 209 P C 0.765 178.315 177.300 0.416 0.000 1.148 209 P CA 1.599 65.042 63.100 0.572 0.000 0.803 209 P CB -0.229 31.801 31.700 0.551 0.000 0.782 210 R N -0.408 120.246 120.500 0.256 0.000 2.285 210 R HA 0.026 4.309 4.340 -0.094 0.000 0.213 210 R C 1.832 178.240 176.300 0.180 0.000 1.068 210 R CA 0.636 56.849 56.100 0.189 0.000 1.004 210 R CB -0.513 29.851 30.300 0.107 0.000 0.873 210 R HN 0.323 nan 8.270 nan 0.000 0.467 211 N N 0.364 119.200 118.700 0.226 0.000 2.353 211 N HA 0.052 4.736 4.740 -0.094 0.000 0.185 211 N C -0.019 175.810 175.510 0.532 0.000 1.098 211 N CA 0.042 53.244 53.050 0.254 0.000 0.872 211 N CB 0.449 38.950 38.487 0.024 0.000 0.970 211 N HN 0.101 nan 8.380 nan 0.000 0.467 212 L N 3.247 124.818 121.223 0.580 0.000 2.490 212 L HA 0.100 4.384 4.340 -0.094 0.000 0.274 212 L C -1.908 175.046 176.870 0.139 0.000 1.201 212 L CA -1.175 53.922 54.840 0.428 0.000 0.869 212 L CB 0.258 42.410 42.059 0.155 0.000 1.123 212 L HN -0.142 nan 8.230 nan 0.000 0.484 213 P HA 0.254 nan 4.420 nan 0.000 0.266 213 P C -0.795 176.421 177.300 -0.141 0.000 1.586 213 P CA 0.195 63.283 63.100 -0.020 0.000 1.088 213 P CB 0.102 31.792 31.700 -0.016 0.000 1.584 214 I N 2.273 122.720 120.570 -0.204 0.000 2.499 214 I HA 0.198 4.312 4.170 -0.094 0.000 0.288 214 I C 0.037 176.000 176.117 -0.257 0.000 1.048 214 I CA -0.738 60.326 61.300 -0.393 0.000 1.062 214 I CB 1.755 39.252 38.000 -0.837 0.000 1.238 214 I HN 0.095 nan 8.210 nan 0.000 0.426 215 D N 5.149 125.422 120.400 -0.211 0.000 2.701 215 D HA -0.197 4.387 4.640 -0.094 0.000 0.235 215 D C 1.134 177.408 176.300 -0.044 0.000 1.155 215 D CA 1.887 55.836 54.000 -0.085 0.000 0.649 215 D CB -0.866 39.925 40.800 -0.015 0.000 1.050 215 D HN 1.167 nan 8.370 nan 0.000 0.425 216 G N -0.593 108.173 108.800 -0.057 0.000 2.159 216 G HA2 -0.319 3.585 3.960 -0.094 0.000 0.256 216 G HA3 -0.319 3.585 3.960 -0.094 0.000 0.256 216 G C -0.002 174.888 174.900 -0.017 0.000 0.977 216 G CA 0.530 45.609 45.100 -0.034 0.000 0.652 216 G HN 0.516 nan 8.290 nan 0.000 0.531 217 E N 0.676 120.868 120.200 -0.014 0.000 2.266 217 E HA 0.496 4.789 4.350 -0.094 0.000 0.268 217 E C -2.870 173.745 176.600 0.027 0.000 0.879 217 E CA -2.320 54.089 56.400 0.014 0.000 0.762 217 E CB 2.746 32.466 29.700 0.034 0.000 1.199 217 E HN 0.125 nan 8.360 nan 0.000 0.422 218 P HA 0.065 nan 4.420 nan 0.000 0.280 218 P C 0.021 177.339 177.300 0.029 0.000 1.244 218 P CA -0.061 63.066 63.100 0.046 0.000 0.784 218 P CB 1.233 32.970 31.700 0.062 0.000 0.913 219 A N 3.951 126.782 122.820 0.018 0.000 1.978 219 A HA -0.207 4.057 4.320 -0.094 0.000 0.220 219 A C 1.897 179.483 177.584 0.003 0.000 1.170 219 A CA 1.520 53.561 52.037 0.005 0.000 0.636 219 A CB -1.015 17.988 19.000 0.005 0.000 0.810 219 A HN 0.662 nan 8.150 nan 0.000 0.448 220 E N 0.399 120.608 120.200 0.014 0.000 2.110 220 E HA -0.133 4.161 4.350 -0.094 0.000 0.193 220 E C 1.850 178.449 176.600 -0.002 0.000 0.988 220 E CA 1.754 58.162 56.400 0.013 0.000 0.804 220 E CB -0.961 28.757 29.700 0.030 0.000 0.745 220 E HN 0.365 nan 8.360 nan 0.000 0.458 221 V N 1.620 121.540 119.914 0.009 0.000 2.453 221 V HA -0.169 3.895 4.120 -0.094 0.000 0.247 221 V C 2.781 178.854 176.094 -0.035 0.000 1.048 221 V CA 1.217 63.512 62.300 -0.008 0.000 1.049 221 V CB -0.328 31.555 31.823 0.100 0.000 0.672 221 V HN 0.072 nan 8.190 nan 0.000 0.457 222 V N 0.789 120.687 119.914 -0.026 0.000 2.282 222 V HA -0.331 3.732 4.120 -0.094 0.000 0.249 222 V C 2.776 178.819 176.094 -0.085 0.000 1.057 222 V CA 2.370 64.635 62.300 -0.059 0.000 1.032 222 V CB -1.215 30.580 31.823 -0.046 0.000 0.645 222 V HN 0.567 nan 8.190 nan 0.000 0.447 223 A N -0.247 122.537 122.820 -0.060 0.000 1.877 223 A HA -0.207 4.056 4.320 -0.094 0.000 0.216 223 A C 2.187 179.722 177.584 -0.082 0.000 1.186 223 A CA 2.149 54.151 52.037 -0.059 0.000 0.620 223 A CB -0.626 18.358 19.000 -0.028 0.000 0.822 223 A HN 0.502 nan 8.150 nan 0.000 0.443 224 L N 0.027 121.201 121.223 -0.083 0.000 1.990 224 L HA -0.157 4.126 4.340 -0.094 0.000 0.213 224 L C 2.311 179.017 176.870 -0.272 0.000 1.072 224 L CA 2.331 57.122 54.840 -0.081 0.000 0.755 224 L CB -0.513 41.495 42.059 -0.085 0.000 0.889 224 L HN 0.144 nan 8.230 nan 0.000 0.432 225 V N 0.135 119.797 119.914 -0.421 0.000 2.427 225 V HA -0.261 3.803 4.120 -0.094 0.000 0.248 225 V C 2.231 177.961 176.094 -0.606 0.000 1.051 225 V CA 2.154 63.924 62.300 -0.885 0.000 1.048 225 V CB -1.029 30.529 31.823 -0.442 0.000 0.666 225 V HN 0.558 nan 8.190 nan 0.000 0.456 226 N N -0.260 118.264 118.700 -0.293 0.000 2.149 226 N HA -0.175 4.509 4.740 -0.094 0.000 0.188 226 N C 1.971 177.406 175.510 -0.125 0.000 1.019 226 N CA 1.473 54.421 53.050 -0.170 0.000 0.857 226 N CB -0.079 38.344 38.487 -0.106 0.000 0.997 226 N HN 0.433 nan 8.380 nan 0.000 0.426 227 E N 0.342 120.472 120.200 -0.118 0.000 2.031 227 E HA -0.185 4.109 4.350 -0.094 0.000 0.193 227 E C 1.853 178.493 176.600 0.066 0.000 0.994 227 E CA 1.527 57.917 56.400 -0.017 0.000 0.800 227 E CB -0.740 28.969 29.700 0.015 0.000 0.752 227 E HN 0.737 nan 8.360 nan 0.000 0.447 228 Y N 1.445 121.791 120.300 0.077 0.000 2.314 228 Y HA 0.027 4.521 4.550 -0.094 0.000 0.293 228 Y C 2.125 178.045 175.900 0.032 0.000 1.129 228 Y CA 1.372 59.542 58.100 0.117 0.000 1.201 228 Y CB -0.842 37.725 38.460 0.179 0.000 0.999 228 Y HN 0.108 nan 8.280 nan 0.000 0.541 229 R N 1.348 121.892 120.500 0.073 0.000 2.115 229 R HA -0.079 4.205 4.340 -0.094 0.000 0.226 229 R C 2.026 178.301 176.300 -0.042 0.000 1.100 229 R CA 1.361 57.464 56.100 0.006 0.000 0.980 229 R CB -1.017 29.367 30.300 0.140 0.000 0.875 229 R HN 0.458 nan 8.270 nan 0.000 0.445 230 S N 0.273 115.986 115.700 0.023 0.000 2.382 230 S HA -0.184 4.230 4.470 -0.094 0.000 0.228 230 S C 1.691 176.301 174.600 0.016 0.000 1.027 230 S CA 0.727 58.942 58.200 0.025 0.000 0.991 230 S CB -0.674 62.548 63.200 0.037 0.000 0.823 230 S HN 0.686 nan 8.310 nan 0.000 0.469 231 W N 2.290 123.511 121.300 -0.132 0.000 2.407 231 W HA 0.184 4.787 4.660 -0.095 0.000 0.305 231 W C 1.820 178.164 176.519 -0.293 0.000 1.196 231 W CA 0.800 58.050 57.345 -0.157 0.000 1.311 231 W CB -0.618 28.781 29.460 -0.102 0.000 1.135 231 W HN 0.247 nan 8.180 nan 0.000 0.514 232 L N 0.748 121.534 121.223 -0.728 0.000 2.129 232 L HA -0.243 4.041 4.340 -0.094 0.000 0.212 232 L C 2.299 178.418 176.870 -1.252 0.000 1.087 232 L CA 1.858 55.893 54.840 -1.341 0.000 0.757 232 L CB -0.831 40.131 42.059 -1.828 0.000 0.896 232 L HN 0.074 nan 8.230 nan 0.000 0.434 233 E N -0.221 119.474 120.200 -0.842 0.000 2.268 233 E HA -0.224 4.070 4.350 -0.094 0.000 0.195 233 E C 1.726 178.144 176.600 -0.303 0.000 0.995 233 E CA 1.317 57.427 56.400 -0.484 0.000 0.836 233 E CB 0.161 29.782 29.700 -0.132 0.000 0.763 233 E HN 0.675 nan 8.360 nan 0.000 0.491 234 E N -0.386 119.613 120.200 -0.335 0.000 2.485 234 E HA 0.046 4.340 4.350 -0.094 0.000 0.213 234 E C 0.652 177.103 176.600 -0.249 0.000 0.923 234 E CA -0.062 56.211 56.400 -0.212 0.000 1.054 234 E CB 0.295 29.931 29.700 -0.107 0.000 1.077 234 E HN -0.157 nan 8.360 nan 0.000 0.509 235 T N 2.102 116.381 114.554 -0.458 0.000 2.930 235 T HA -0.004 4.289 4.350 -0.094 0.000 0.306 235 T C 0.370 174.904 174.700 -0.277 0.000 1.045 235 T CA 0.190 62.034 62.100 -0.426 0.000 1.134 235 T CB 0.904 69.217 68.868 -0.925 0.000 0.961 235 T HN 0.287 nan 8.240 nan 0.000 0.545 236 D N 3.813 124.133 120.400 -0.133 0.000 2.319 236 D HA 0.009 4.592 4.640 -0.094 0.000 0.230 236 D C 0.874 177.148 176.300 -0.043 0.000 1.094 236 D CA -0.152 53.806 54.000 -0.070 0.000 0.856 236 D CB -0.577 40.208 40.800 -0.024 0.000 0.915 236 D HN 0.532 nan 8.370 nan 0.000 0.517 237 M N 1.195 120.746 119.600 -0.082 0.000 2.261 237 M HA 0.107 4.530 4.480 -0.094 0.000 0.350 237 M C -2.304 174.020 176.300 0.040 0.000 1.343 237 M CA -1.022 54.274 55.300 -0.007 0.000 1.003 237 M CB 0.619 33.198 32.600 -0.035 0.000 1.848 237 M HN -0.244 nan 8.290 nan 0.000 0.456 238 P HA 0.105 nan 4.420 nan 0.000 0.268 238 P C -1.587 175.945 177.300 0.388 0.000 1.205 238 P CA 0.381 63.623 63.100 0.237 0.000 0.771 238 P CB 0.446 32.274 31.700 0.214 0.000 0.858 239 K N 2.099 122.700 120.400 0.336 0.000 2.422 239 K HA 0.611 4.875 4.320 -0.094 0.000 0.251 239 K C -1.286 175.263 176.600 -0.086 0.000 0.933 239 K CA -0.938 55.500 56.287 0.251 0.000 0.798 239 K CB 1.962 34.671 32.500 0.349 0.000 1.238 239 K HN 0.218 nan 8.250 nan 0.000 0.428 240 L N 3.626 124.569 121.223 -0.467 0.000 2.345 240 L HA 0.442 4.726 4.340 -0.094 0.000 0.274 240 L C -1.501 175.048 176.870 -0.534 0.000 0.999 240 L CA -0.535 53.913 54.840 -0.654 0.000 0.849 240 L CB 0.699 42.032 42.059 -1.209 0.000 1.220 240 L HN 0.555 nan 8.230 nan 0.000 0.422 241 F N 6.793 126.355 119.950 -0.647 0.000 2.390 241 F HA 0.508 4.978 4.527 -0.095 0.000 0.361 241 F C -0.377 175.114 175.800 -0.516 0.000 1.124 241 F CA -1.207 56.270 58.000 -0.872 0.000 1.149 241 F CB 0.373 39.059 39.000 -0.524 0.000 1.160 241 F HN 0.366 nan 8.300 nan 0.000 0.501 242 I N 6.329 126.564 120.570 -0.560 0.000 2.269 242 I HA 0.096 4.210 4.170 -0.094 0.000 0.293 242 I C 0.067 175.768 176.117 -0.694 0.000 1.106 242 I CA -0.457 60.527 61.300 -0.526 0.000 1.248 242 I CB 0.104 37.946 38.000 -0.265 0.000 1.444 242 I HN 0.544 nan 8.210 nan 0.000 0.497 243 N N 5.083 123.145 118.700 -1.065 0.000 2.525 243 N HA 0.505 5.189 4.740 -0.094 0.000 0.271 243 N C -0.641 174.660 175.510 -0.347 0.000 1.194 243 N CA -0.143 52.408 53.050 -0.832 0.000 0.964 243 N CB 1.113 39.066 38.487 -0.890 0.000 1.126 243 N HN 0.630 nan 8.380 nan 0.000 0.452 244 A N 1.702 124.414 122.820 -0.180 0.000 2.355 244 A HA 0.561 4.825 4.320 -0.094 0.000 0.324 244 A C -0.870 176.669 177.584 -0.076 0.000 1.117 244 A CA -0.542 51.430 52.037 -0.108 0.000 0.785 244 A CB 1.012 19.973 19.000 -0.065 0.000 1.254 244 A HN 0.716 nan 8.150 nan 0.000 0.453 245 E N 2.107 122.269 120.200 -0.063 0.000 2.216 245 E HA 0.484 4.778 4.350 -0.094 0.000 0.260 245 E C -2.107 174.476 176.600 -0.029 0.000 0.880 245 E CA -1.902 54.472 56.400 -0.044 0.000 0.765 245 E CB 1.881 31.553 29.700 -0.047 0.000 1.174 245 E HN 0.308 nan 8.360 nan 0.000 0.417 246 P HA 0.087 nan 4.420 nan 0.000 0.229 246 P C 0.472 177.755 177.300 -0.029 0.000 1.160 246 P CA 1.013 64.099 63.100 -0.024 0.000 0.777 246 P CB 0.233 31.921 31.700 -0.020 0.000 0.814 247 G N -0.232 108.550 108.800 -0.029 0.000 2.741 247 G HA2 0.012 3.915 3.960 -0.094 0.000 0.222 247 G HA3 0.012 3.915 3.960 -0.094 0.000 0.222 247 G C 0.328 175.197 174.900 -0.051 0.000 1.364 247 G CA -0.048 45.035 45.100 -0.028 0.000 0.866 247 G HN 0.520 nan 8.290 nan 0.000 0.555 248 A N -1.911 120.864 122.820 -0.075 0.000 1.655 248 A HA 0.604 4.868 4.320 -0.094 0.000 0.180 248 A C 2.014 179.420 177.584 -0.296 0.000 1.582 248 A CA 1.200 53.121 52.037 -0.194 0.000 1.292 248 A CB -0.408 18.472 19.000 -0.200 0.000 1.144 248 A HN 2.073 nan 8.150 nan 0.000 0.609 249 I N -1.972 118.450 120.570 -0.247 0.000 3.783 249 I HA 0.485 4.598 4.170 -0.094 0.000 0.310 249 I C -0.291 175.767 176.117 -0.099 0.000 1.274 249 I CA 0.316 61.444 61.300 -0.287 0.000 1.294 249 I CB 0.436 38.212 38.000 -0.374 0.000 1.051 249 I HN 0.089 nan 8.210 nan 0.000 0.435 250 I N 3.806 124.369 120.570 -0.012 0.000 2.412 250 I HA 0.320 4.433 4.170 -0.094 0.000 0.279 250 I C -0.166 175.978 176.117 0.044 0.000 1.063 250 I CA -0.201 61.127 61.300 0.045 0.000 1.193 250 I CB 0.882 38.974 38.000 0.153 0.000 1.370 250 I HN 0.298 nan 8.210 nan 0.000 0.479 251 T N 0.963 115.519 114.554 0.002 0.000 2.812 251 T HA 0.806 5.100 4.350 -0.094 0.000 0.294 251 T C 0.432 175.131 174.700 -0.001 0.000 1.159 251 T CA -0.049 62.051 62.100 0.000 0.000 1.008 251 T CB 1.804 70.653 68.868 -0.032 0.000 1.289 251 T HN 0.773 nan 8.240 nan 0.000 0.514 252 G N 2.128 110.929 108.800 0.001 0.000 2.596 252 G HA2 -0.385 3.519 3.960 -0.094 0.000 0.295 252 G HA3 -0.385 3.519 3.960 -0.094 0.000 0.295 252 G C 0.917 175.818 174.900 0.002 0.000 1.240 252 G CA 1.486 46.587 45.100 0.000 0.000 0.985 252 G HN 1.444 nan 8.290 nan 0.000 0.555 253 R N 0.348 120.847 120.500 -0.002 0.000 2.152 253 R HA 0.114 4.397 4.340 -0.094 0.000 0.232 253 R C 2.616 178.920 176.300 0.005 0.000 1.117 253 R CA 2.079 58.178 56.100 -0.001 0.000 0.981 253 R CB -0.391 29.902 30.300 -0.012 0.000 0.870 253 R HN 0.597 nan 8.270 nan 0.000 0.451 254 I N 0.857 121.425 120.570 -0.004 0.000 2.315 254 I HA -0.170 3.943 4.170 -0.094 0.000 0.248 254 I C 2.966 179.065 176.117 -0.031 0.000 1.117 254 I CA 1.148 62.452 61.300 0.007 0.000 1.404 254 I CB -0.348 37.648 38.000 -0.006 0.000 1.071 254 I HN 0.230 nan 8.210 nan 0.000 0.419 255 R N 1.145 121.630 120.500 -0.026 0.000 2.091 255 R HA -0.209 4.074 4.340 -0.094 0.000 0.238 255 R C 1.829 178.084 176.300 -0.075 0.000 1.136 255 R CA 2.052 58.137 56.100 -0.026 0.000 0.959 255 R CB -0.174 30.168 30.300 0.070 0.000 0.856 255 R HN 0.293 nan 8.270 nan 0.000 0.437 256 D N -0.428 119.953 120.400 -0.031 0.000 2.123 256 D HA -0.212 4.371 4.640 -0.094 0.000 0.196 256 D C 1.594 177.850 176.300 -0.073 0.000 0.992 256 D CA 1.194 55.175 54.000 -0.032 0.000 0.833 256 D CB -0.511 40.290 40.800 0.002 0.000 0.954 256 D HN 0.289 nan 8.370 nan 0.000 0.455 257 Y N 1.841 122.020 120.300 -0.201 0.000 2.114 257 Y HA -0.217 4.277 4.550 -0.093 0.000 0.284 257 Y C 2.244 177.826 175.900 -0.530 0.000 1.143 257 Y CA 1.009 58.953 58.100 -0.259 0.000 1.135 257 Y CB -0.640 37.694 38.460 -0.210 0.000 0.980 257 Y HN -0.200 nan 8.280 nan 0.000 0.499 258 V N 1.144 120.493 119.914 -0.943 0.000 2.392 258 V HA -0.329 3.735 4.120 -0.094 0.000 0.249 258 V C 2.373 177.812 176.094 -1.091 0.000 1.059 258 V CA 2.335 63.672 62.300 -1.605 0.000 1.051 258 V CB -0.626 30.368 31.823 -1.382 0.000 0.658 258 V HN 0.366 nan 8.190 nan 0.000 0.455 259 R N 0.583 120.727 120.500 -0.593 0.000 2.285 259 R HA -0.095 4.188 4.340 -0.094 0.000 0.213 259 R C 2.341 178.524 176.300 -0.195 0.000 1.068 259 R CA 1.282 57.225 56.100 -0.261 0.000 1.004 259 R CB -0.347 29.897 30.300 -0.094 0.000 0.873 259 R HN 0.708 nan 8.270 nan 0.000 0.467 260 S N -0.751 114.782 115.700 -0.277 0.000 2.522 260 S HA -0.028 4.386 4.470 -0.094 0.000 0.227 260 S C 0.285 174.892 174.600 0.011 0.000 0.986 260 S CA -0.271 57.862 58.200 -0.111 0.000 0.929 260 S CB 0.013 63.175 63.200 -0.063 0.000 0.769 260 S HN 0.174 nan 8.310 nan 0.000 0.529 261 W N 3.550 124.705 121.300 -0.242 0.000 2.170 261 W HA 0.469 5.072 4.660 -0.095 0.000 0.336 261 W C -2.439 173.997 176.519 -0.137 0.000 1.283 261 W CA -2.781 54.427 57.345 -0.228 0.000 1.224 261 W CB -0.479 28.816 29.460 -0.276 0.000 1.132 261 W HN 0.102 nan 8.180 nan 0.000 0.571 262 P HA 0.057 nan 4.420 nan 0.000 0.278 262 P C 0.013 177.334 177.300 0.035 0.000 1.258 262 P CA -0.436 62.679 63.100 0.025 0.000 0.811 262 P CB 0.605 32.285 31.700 -0.034 0.000 1.063 263 N N -0.792 117.931 118.700 0.039 0.000 2.725 263 N HA -0.224 4.459 4.740 -0.094 0.000 0.251 263 N C -0.658 174.912 175.510 0.100 0.000 1.031 263 N CA 0.900 53.985 53.050 0.057 0.000 0.720 263 N CB -1.217 37.294 38.487 0.040 0.000 0.930 263 N HN 0.628 nan 8.380 nan 0.000 0.543 264 Q N -0.068 119.793 119.800 0.102 0.000 2.375 264 Q HA 0.598 4.882 4.340 -0.094 0.000 0.271 264 Q C -0.442 175.605 176.000 0.078 0.000 1.074 264 Q CA -0.557 55.316 55.803 0.117 0.000 0.808 264 Q CB 1.293 30.129 28.738 0.163 0.000 1.327 264 Q HN 0.388 nan 8.270 nan 0.000 0.441 265 T N -0.255 114.325 114.554 0.043 0.000 2.930 265 T HA 0.721 5.015 4.350 -0.094 0.000 0.290 265 T C -0.665 174.013 174.700 -0.036 0.000 1.052 265 T CA -0.779 61.327 62.100 0.009 0.000 1.017 265 T CB 1.800 70.674 68.868 0.010 0.000 1.137 265 T HN 0.724 nan 8.240 nan 0.000 0.511 266 E N 0.519 120.681 120.200 -0.064 0.000 2.416 266 E HA 0.726 5.019 4.350 -0.094 0.000 0.273 266 E C -1.008 175.476 176.600 -0.194 0.000 0.935 266 E CA -1.327 54.976 56.400 -0.161 0.000 0.784 266 E CB 2.114 31.722 29.700 -0.154 0.000 1.301 266 E HN 0.914 nan 8.360 nan 0.000 0.454 267 I N -2.014 118.387 120.570 -0.282 0.000 3.042 267 I HA 0.649 4.763 4.170 -0.094 0.000 0.310 267 I C -0.956 174.973 176.117 -0.314 0.000 1.117 267 I CA -0.843 60.315 61.300 -0.237 0.000 1.003 267 I CB 2.643 40.535 38.000 -0.181 0.000 1.228 267 I HN 0.419 nan 8.210 nan 0.000 0.443 268 T N 3.356 117.774 114.554 -0.227 0.000 2.807 268 T HA 0.610 4.904 4.350 -0.094 0.000 0.279 268 T C -0.393 174.213 174.700 -0.157 0.000 0.993 268 T CA -0.543 61.426 62.100 -0.219 0.000 0.970 268 T CB 1.639 70.407 68.868 -0.166 0.000 0.950 268 T HN 0.665 nan 8.240 nan 0.000 0.441 269 V N 1.410 121.234 119.914 -0.150 0.000 2.715 269 V HA 0.767 4.831 4.120 -0.094 0.000 0.310 269 V C -2.996 173.054 176.094 -0.073 0.000 1.054 269 V CA -3.379 58.861 62.300 -0.100 0.000 0.928 269 V CB 1.392 33.157 31.823 -0.096 0.000 1.007 269 V HN 0.508 nan 8.190 nan 0.000 0.437 270 P HA 0.522 nan 4.420 nan 0.000 0.265 270 P C 0.250 177.541 177.300 -0.014 0.000 1.193 270 P CA 1.034 64.121 63.100 -0.022 0.000 0.765 270 P CB 0.572 32.272 31.700 -0.001 0.000 0.823 271 G N 0.496 109.289 108.800 -0.013 0.000 2.328 271 G HA2 0.299 4.203 3.960 -0.094 0.000 0.299 271 G HA3 0.299 4.203 3.960 -0.094 0.000 0.299 271 G C -0.531 174.368 174.900 -0.002 0.000 1.435 271 G CA -0.615 44.483 45.100 -0.003 0.000 0.865 271 G HN 0.271 nan 8.290 nan 0.000 0.601 272 V N -0.866 119.060 119.914 0.019 0.000 3.654 272 V HA 0.292 4.356 4.120 -0.094 0.000 0.204 272 V C 1.604 177.718 176.094 0.033 0.000 1.135 272 V CA 1.733 64.048 62.300 0.025 0.000 1.368 272 V CB 0.134 31.987 31.823 0.050 0.000 1.519 272 V HN 0.879 nan 8.190 nan 0.000 0.496 273 H N -0.838 118.181 119.070 -0.086 0.000 2.426 273 H HA 0.313 4.815 4.556 -0.090 0.000 0.286 273 H C 0.598 175.789 175.328 -0.229 0.000 0.990 273 H CA 0.329 56.240 56.048 -0.228 0.000 1.237 273 H CB 0.198 29.687 29.762 -0.455 0.000 1.466 273 H HN 0.285 nan 8.280 nan 0.000 0.525 274 F N 2.655 122.618 119.950 0.022 0.000 2.640 274 F HA 0.139 4.608 4.527 -0.096 0.000 0.354 274 F C 1.567 177.255 175.800 -0.187 0.000 1.213 274 F CA -0.193 57.721 58.000 -0.143 0.000 1.314 274 F CB 0.019 38.994 39.000 -0.042 0.000 1.679 274 F HN 0.093 nan 8.300 nan 0.000 0.622 275 V N -1.321 118.494 119.914 -0.166 0.000 2.720 275 V HA -0.281 3.783 4.120 -0.094 0.000 0.256 275 V C 1.854 177.903 176.094 -0.076 0.000 1.082 275 V CA 1.551 63.793 62.300 -0.098 0.000 1.101 275 V CB -0.666 31.088 31.823 -0.115 0.000 0.693 275 V HN 0.436 nan 8.190 nan 0.000 0.479 276 Q N 0.643 120.349 119.800 -0.156 0.000 2.291 276 Q HA -0.086 4.198 4.340 -0.094 0.000 0.206 276 Q C 2.082 178.092 176.000 0.016 0.000 0.976 276 Q CA 1.629 57.368 55.803 -0.108 0.000 0.875 276 Q CB -0.323 28.246 28.738 -0.282 0.000 0.927 276 Q HN 0.679 nan 8.270 nan 0.000 0.450 277 E N -0.215 120.005 120.200 0.032 0.000 2.474 277 E HA -0.018 4.276 4.350 -0.094 0.000 0.194 277 E C 0.393 177.027 176.600 0.057 0.000 1.041 277 E CA 0.346 56.775 56.400 0.049 0.000 0.874 277 E CB 0.462 30.167 29.700 0.009 0.000 0.914 277 E HN 0.394 nan 8.360 nan 0.000 0.498 278 D N -0.436 120.038 120.400 0.122 0.000 2.463 278 D HA 0.094 4.678 4.640 -0.094 0.000 0.237 278 D C 0.270 176.721 176.300 0.252 0.000 1.013 278 D CA 0.438 54.539 54.000 0.169 0.000 0.910 278 D CB 0.656 41.501 40.800 0.076 0.000 1.080 278 D HN -0.143 nan 8.370 nan 0.000 0.498 279 S N 1.305 117.091 115.700 0.142 0.000 2.665 279 S HA 0.173 4.586 4.470 -0.094 0.000 0.235 279 S C -1.978 172.623 174.600 0.001 0.000 1.084 279 S CA -0.721 57.509 58.200 0.051 0.000 1.151 279 S CB 1.729 64.929 63.200 -0.000 0.000 1.151 279 S HN 0.100 nan 8.310 nan 0.000 0.461 280 P HA -0.059 nan 4.420 nan 0.000 0.217 280 P C 1.485 178.712 177.300 -0.122 0.000 1.151 280 P CA 1.402 64.493 63.100 -0.014 0.000 0.828 280 P CB 0.175 31.899 31.700 0.039 0.000 0.788 281 E N 1.203 121.324 120.200 -0.133 0.000 2.047 281 E HA -0.220 4.074 4.350 -0.094 0.000 0.191 281 E C 1.914 178.349 176.600 -0.275 0.000 0.987 281 E CA 1.557 57.843 56.400 -0.190 0.000 0.799 281 E CB -1.467 28.199 29.700 -0.057 0.000 0.752 281 E HN 0.366 nan 8.360 nan 0.000 0.449 282 E N 0.105 120.209 120.200 -0.160 0.000 2.110 282 E HA -0.011 4.282 4.350 -0.094 0.000 0.193 282 E C 2.091 178.599 176.600 -0.153 0.000 0.988 282 E CA 1.118 57.437 56.400 -0.136 0.000 0.804 282 E CB -0.214 29.429 29.700 -0.095 0.000 0.745 282 E HN 0.657 nan 8.360 nan 0.000 0.458 283 I N 0.429 120.914 120.570 -0.143 0.000 2.163 283 I HA -0.186 3.928 4.170 -0.094 0.000 0.240 283 I C 2.444 178.483 176.117 -0.130 0.000 1.081 283 I CA 1.329 62.568 61.300 -0.103 0.000 1.353 283 I CB -0.671 37.312 38.000 -0.027 0.000 1.054 283 I HN 0.206 nan 8.210 nan 0.000 0.407 284 G N 0.510 109.147 108.800 -0.272 0.000 2.446 284 G HA2 -0.273 3.630 3.960 -0.094 0.000 0.217 284 G HA3 -0.273 3.630 3.960 -0.094 0.000 0.217 284 G C 1.860 176.592 174.900 -0.280 0.000 1.168 284 G CA 0.919 45.801 45.100 -0.363 0.000 0.771 284 G HN 0.497 nan 8.290 nan 0.000 0.551 285 A N 1.163 123.761 122.820 -0.369 0.000 1.902 285 A HA 0.229 4.493 4.320 -0.094 0.000 0.217 285 A C 2.835 180.395 177.584 -0.039 0.000 1.181 285 A CA 2.401 54.375 52.037 -0.104 0.000 0.623 285 A CB -0.836 18.119 19.000 -0.076 0.000 0.818 285 A HN 0.838 nan 8.150 nan 0.000 0.443 286 A N -0.088 122.692 122.820 -0.067 0.000 1.902 286 A HA -0.074 4.190 4.320 -0.094 0.000 0.217 286 A C 2.105 179.699 177.584 0.017 0.000 1.181 286 A CA 1.541 53.555 52.037 -0.039 0.000 0.623 286 A CB -0.627 18.319 19.000 -0.091 0.000 0.818 286 A HN 0.507 nan 8.150 nan 0.000 0.443 287 I N -0.176 120.406 120.570 0.019 0.000 2.226 287 I HA -0.259 3.855 4.170 -0.094 0.000 0.245 287 I C 2.929 179.133 176.117 0.145 0.000 1.100 287 I CA 1.016 62.376 61.300 0.099 0.000 1.374 287 I CB -0.338 37.708 38.000 0.076 0.000 1.057 287 I HN 0.339 nan 8.210 nan 0.000 0.413 288 A N 0.289 123.169 122.820 0.100 0.000 1.902 288 A HA -0.255 4.008 4.320 -0.094 0.000 0.217 288 A C 2.277 179.910 177.584 0.082 0.000 1.181 288 A CA 1.606 53.699 52.037 0.094 0.000 0.623 288 A CB -0.599 18.463 19.000 0.103 0.000 0.818 288 A HN 0.462 nan 8.150 nan 0.000 0.443 289 Q N -1.829 118.022 119.800 0.085 0.000 2.084 289 Q HA -0.147 4.136 4.340 -0.094 0.000 0.202 289 Q C 1.895 177.967 176.000 0.120 0.000 0.978 289 Q CA 1.581 57.431 55.803 0.079 0.000 0.844 289 Q CB -0.332 28.444 28.738 0.062 0.000 0.898 289 Q HN 0.732 nan 8.270 nan 0.000 0.426 290 F N 0.655 120.597 119.950 -0.014 0.000 2.095 290 F HA -0.237 4.234 4.527 -0.093 0.000 0.298 290 F C 1.930 177.723 175.800 -0.012 0.000 1.104 290 F CA 1.232 59.224 58.000 -0.012 0.000 1.232 290 F CB -0.309 38.681 39.000 -0.017 0.000 0.987 290 F HN -0.184 nan 8.300 nan 0.000 0.475 291 V N 0.894 120.784 119.914 -0.039 0.000 2.427 291 V HA -0.234 3.830 4.120 -0.094 0.000 0.248 291 V C 2.508 178.528 176.094 -0.122 0.000 1.051 291 V CA 1.952 64.152 62.300 -0.167 0.000 1.048 291 V CB -0.653 31.133 31.823 -0.061 0.000 0.666 291 V HN 0.275 nan 8.190 nan 0.000 0.456 292 R N -0.132 120.339 120.500 -0.049 0.000 2.081 292 R HA -0.122 4.162 4.340 -0.094 0.000 0.235 292 R C 2.542 178.808 176.300 -0.057 0.000 1.131 292 R CA 1.425 57.502 56.100 -0.039 0.000 0.960 292 R CB -0.332 29.963 30.300 -0.008 0.000 0.856 292 R HN 0.484 nan 8.270 nan 0.000 0.436 293 R N 0.494 120.959 120.500 -0.059 0.000 2.081 293 R HA -0.073 4.210 4.340 -0.094 0.000 0.235 293 R C 2.346 178.583 176.300 -0.105 0.000 1.131 293 R CA 1.111 57.176 56.100 -0.058 0.000 0.960 293 R CB -0.331 29.956 30.300 -0.022 0.000 0.856 293 R HN 0.219 nan 8.270 nan 0.000 0.436 294 L N -0.203 120.905 121.223 -0.192 0.000 2.141 294 L HA -0.132 4.152 4.340 -0.094 0.000 0.209 294 L C 2.264 179.051 176.870 -0.139 0.000 1.094 294 L CA 1.461 56.178 54.840 -0.206 0.000 0.763 294 L CB -0.098 41.758 42.059 -0.339 0.000 0.908 294 L HN 0.166 nan 8.230 nan 0.000 0.437 295 R N -2.006 118.421 120.500 -0.122 0.000 2.320 295 R HA 0.190 4.473 4.340 -0.094 0.000 0.193 295 R C 0.751 177.005 176.300 -0.076 0.000 0.885 295 R CA -0.116 55.923 56.100 -0.102 0.000 1.085 295 R CB 0.381 30.622 30.300 -0.099 0.000 1.253 295 R HN 0.048 nan 8.270 nan 0.000 0.636 296 S N 0.874 116.538 115.700 -0.060 0.000 2.560 296 S HA 0.460 4.874 4.470 -0.094 0.000 0.284 296 S C -0.102 174.474 174.600 -0.039 0.000 1.327 296 S CA 0.026 58.201 58.200 -0.043 0.000 1.055 296 S CB 1.333 64.515 63.200 -0.030 0.000 0.868 296 S HN 0.429 nan 8.310 nan 0.000 0.506 297 A N 0.000 122.800 122.820 -0.034 0.000 2.254 297 A HA 0.000 4.264 4.320 -0.094 0.000 0.244 297 A CA 0.000 52.019 52.037 -0.030 0.000 0.836 297 A CB 0.000 18.978 19.000 -0.036 0.000 0.831 297 A HN 0.000 nan 8.150 nan 0.000 0.486