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 2gnu_1_M DATA FIRST_RESID 2 DATA SEQUENCE EYQNIFSQVQ VRGPADLGMT EDVNLANRSG VGPFSTLLGW FGNAQLGPIY DATA SEQUENCE LGSLGVLSLF SGLMWFFTIG IWFWYQAGWN PAVFLRDLFF FSLEPPAPEY DATA SEQUENCE GLSFAAPLKE GGLWLIASFF MFVAVWSWWG RTYLRAQALG MGKHTAWAFL DATA SEQUENCE SAIWLWMVLG FIRPILMGSW SEAVPYGIFS HLDWTNNFSL VHGNLFYNPF DATA SEQUENCE HGLSIAFLYG SALLFAMHGA TILAVSRFGG ERELEQIADR GTAAERAALF DATA SEQUENCE WRWTMGFNAT MEGIHRWAIW MAVLVTLTGG IGILLSGTVV DNWYVWGQNH 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.725 176.600 0.208 0.000 1.382 2 E CA 0.000 56.485 56.400 0.141 0.000 0.976 2 E CB 0.000 29.741 29.700 0.068 0.000 0.812 3 Y N 1.177 121.470 120.300 -0.013 0.000 2.453 3 Y HA 0.443 4.983 4.550 -0.018 0.000 0.344 3 Y C 1.111 177.001 175.900 -0.016 0.000 1.323 3 Y CA -1.049 57.050 58.100 -0.003 0.000 1.526 3 Y CB 0.533 39.003 38.460 0.016 0.000 1.603 3 Y HN 0.289 nan 8.280 nan 0.000 0.563 4 Q N 0.403 119.981 119.800 -0.370 0.000 2.444 4 Q HA -0.048 4.282 4.340 -0.018 0.000 0.206 4 Q C 0.042 175.650 176.000 -0.653 0.000 0.948 4 Q CA 0.551 56.104 55.803 -0.417 0.000 0.946 4 Q CB -0.533 28.091 28.738 -0.191 0.000 1.027 4 Q HN 0.840 nan 8.270 nan 0.000 0.513 5 N N 0.039 117.941 118.700 -1.331 0.000 2.725 5 N HA -0.187 4.542 4.740 -0.018 0.000 0.249 5 N C 0.279 175.547 175.510 -0.404 0.000 1.103 5 N CA 0.339 52.886 53.050 -0.838 0.000 0.707 5 N CB -0.892 37.294 38.487 -0.502 0.000 1.043 5 N HN 0.249 nan 8.380 nan 0.000 0.553 6 I N -1.638 118.734 120.570 -0.330 0.000 2.731 6 I HA 0.076 4.236 4.170 -0.018 0.000 0.260 6 I C 0.499 176.326 176.117 -0.483 0.000 1.138 6 I CA 0.908 61.986 61.300 -0.370 0.000 1.461 6 I CB -0.257 37.546 38.000 -0.327 0.000 1.128 6 I HN -0.017 nan 8.210 nan 0.000 0.438 7 F N 0.323 120.375 119.950 0.171 0.000 2.546 7 F HA 0.380 4.896 4.527 -0.018 0.000 0.320 7 F C 0.960 176.978 175.800 0.365 0.000 1.076 7 F CA -0.736 57.437 58.000 0.288 0.000 0.928 7 F CB 1.276 40.431 39.000 0.258 0.000 1.189 7 F HN -0.305 nan 8.300 nan 0.000 0.465 8 S N 1.085 117.123 115.700 0.563 0.000 2.576 8 S HA 0.034 4.494 4.470 -0.018 0.000 0.272 8 S C 0.880 175.776 174.600 0.493 0.000 1.352 8 S CA -0.326 58.155 58.200 0.468 0.000 1.021 8 S CB 0.936 64.329 63.200 0.322 0.000 0.887 8 S HN 0.737 nan 8.310 nan 0.000 0.542 9 Q N -0.168 119.782 119.800 0.250 0.000 2.287 9 Q HA 0.195 4.524 4.340 -0.018 0.000 0.201 9 Q C 0.202 176.335 176.000 0.221 0.000 0.946 9 Q CA 0.448 56.316 55.803 0.108 0.000 0.868 9 Q CB 0.473 29.079 28.738 -0.221 0.000 0.967 9 Q HN 0.547 nan 8.270 nan 0.000 0.516 10 V N 0.758 120.752 119.914 0.134 0.000 2.447 10 V HA 0.324 4.434 4.120 -0.018 0.000 0.292 10 V C -1.312 174.786 176.094 0.007 0.000 1.021 10 V CA -0.757 61.593 62.300 0.082 0.000 0.850 10 V CB 1.600 33.438 31.823 0.024 0.000 1.005 10 V HN 0.136 nan 8.190 nan 0.000 0.426 11 Q N 3.891 123.626 119.800 -0.108 0.000 2.314 11 Q HA 0.597 4.926 4.340 -0.018 0.000 0.258 11 Q C -0.814 175.105 176.000 -0.135 0.000 0.954 11 Q CA -0.315 55.372 55.803 -0.194 0.000 0.890 11 Q CB 2.209 30.693 28.738 -0.425 0.000 1.210 11 Q HN 0.706 nan 8.270 nan 0.000 0.410 12 V N 2.834 122.684 119.914 -0.108 0.000 2.656 12 V HA 0.548 4.658 4.120 -0.018 0.000 0.307 12 V C -0.550 175.476 176.094 -0.113 0.000 1.051 12 V CA -0.698 61.546 62.300 -0.093 0.000 0.893 12 V CB 2.130 33.919 31.823 -0.057 0.000 0.999 12 V HN 0.703 nan 8.190 nan 0.000 0.426 13 R N 2.161 122.571 120.500 -0.150 0.000 2.673 13 R HA 0.778 5.107 4.340 -0.018 0.000 0.281 13 R C -0.402 175.769 176.300 -0.215 0.000 0.991 13 R CA -0.136 55.824 56.100 -0.233 0.000 0.896 13 R CB 2.291 32.360 30.300 -0.386 0.000 1.201 13 R HN 0.911 nan 8.270 nan 0.000 0.457 14 G N 2.311 110.992 108.800 -0.198 0.000 2.975 14 G HA2 0.526 4.475 3.960 -0.018 0.000 0.291 14 G HA3 0.526 4.475 3.960 -0.018 0.000 0.291 14 G C -2.636 172.208 174.900 -0.092 0.000 1.334 14 G CA -1.116 43.910 45.100 -0.122 0.000 0.843 14 G HN 0.457 nan 8.290 nan 0.000 0.548 15 P HA 0.369 nan 4.420 nan 0.000 0.264 15 P C 0.127 177.516 177.300 0.149 0.000 1.179 15 P CA 0.101 63.230 63.100 0.049 0.000 0.763 15 P CB 0.530 32.250 31.700 0.033 0.000 0.806 16 A N 2.362 125.331 122.820 0.248 0.000 2.511 16 A HA 0.053 4.363 4.320 -0.018 0.000 0.242 16 A C 0.455 178.107 177.584 0.113 0.000 1.069 16 A CA -0.033 52.160 52.037 0.260 0.000 0.763 16 A CB -0.189 18.912 19.000 0.168 0.000 1.001 16 A HN 0.545 nan 8.150 nan 0.000 0.498 17 D N 2.215 122.665 120.400 0.083 0.000 2.317 17 D HA 0.249 4.879 4.640 -0.018 0.000 0.252 17 D C 0.812 177.120 176.300 0.014 0.000 1.174 17 D CA -0.036 53.987 54.000 0.039 0.000 0.866 17 D CB 0.836 41.654 40.800 0.030 0.000 1.127 17 D HN 0.495 nan 8.370 nan 0.000 0.467 18 L N 2.880 124.110 121.223 0.013 0.000 2.446 18 L HA 0.219 4.549 4.340 -0.018 0.000 0.219 18 L C 1.446 178.316 176.870 0.001 0.000 1.116 18 L CA 0.291 55.134 54.840 0.005 0.000 0.844 18 L CB -0.384 41.680 42.059 0.009 0.000 0.970 18 L HN 0.624 nan 8.230 nan 0.000 0.457 19 G N -0.300 108.500 108.800 -0.001 0.000 2.541 19 G HA2 -0.109 3.841 3.960 -0.018 0.000 0.686 19 G HA3 -0.109 3.841 3.960 -0.018 0.000 0.686 19 G C -0.604 174.291 174.900 -0.010 0.000 1.286 19 G CA -1.028 44.067 45.100 -0.008 0.000 0.894 19 G HN -0.191 nan 8.290 nan 0.000 0.575 20 M N 0.477 120.066 119.600 -0.019 0.000 2.243 20 M HA 0.315 4.784 4.480 -0.018 0.000 0.341 20 M C 1.673 177.960 176.300 -0.021 0.000 1.130 20 M CA 0.477 55.763 55.300 -0.022 0.000 1.162 20 M CB 0.262 32.843 32.600 -0.033 0.000 1.497 20 M HN 0.685 nan 8.290 nan 0.000 0.456 21 T N 0.194 114.737 114.554 -0.017 0.000 2.988 21 T HA 0.021 4.360 4.350 -0.018 0.000 0.240 21 T C 0.756 175.442 174.700 -0.024 0.000 1.014 21 T CA 0.185 62.277 62.100 -0.013 0.000 1.155 21 T CB 0.238 69.103 68.868 -0.005 0.000 0.872 21 T HN 0.603 nan 8.240 nan 0.000 0.440 22 E N 1.213 121.397 120.200 -0.027 0.000 3.425 22 E HA -0.218 4.122 4.350 -0.018 0.000 0.407 22 E C -0.027 176.555 176.600 -0.030 0.000 1.572 22 E CA 1.726 58.105 56.400 -0.034 0.000 1.556 22 E CB -1.236 28.434 29.700 -0.050 0.000 1.586 22 E HN 0.413 nan 8.360 nan 0.000 0.451 23 D N 0.858 121.234 120.400 -0.041 0.000 2.501 23 D HA 0.212 4.841 4.640 -0.018 0.000 0.226 23 D C -0.332 175.948 176.300 -0.033 0.000 1.198 23 D CA 0.021 54.001 54.000 -0.032 0.000 0.830 23 D CB 0.449 41.226 40.800 -0.037 0.000 1.014 23 D HN -0.078 nan 8.370 nan 0.000 0.496 24 V N 2.058 121.951 119.914 -0.034 0.000 2.572 24 V HA -0.029 4.080 4.120 -0.018 0.000 0.291 24 V C 0.882 177.014 176.094 0.063 0.000 1.039 24 V CA -0.518 61.769 62.300 -0.022 0.000 1.055 24 V CB 0.859 32.665 31.823 -0.028 0.000 0.969 24 V HN 0.108 nan 8.190 nan 0.000 0.482 25 N N 4.843 123.626 118.700 0.137 0.000 2.400 25 N HA 0.033 4.763 4.740 -0.018 0.000 0.267 25 N C 0.531 176.139 175.510 0.163 0.000 1.208 25 N CA -0.263 52.873 53.050 0.145 0.000 0.951 25 N CB 0.740 39.319 38.487 0.153 0.000 1.227 25 N HN 0.482 nan 8.380 nan 0.000 0.488 26 L N 3.247 124.519 121.223 0.082 0.000 2.549 26 L HA 0.016 4.346 4.340 -0.018 0.000 0.229 26 L C 2.143 179.010 176.870 -0.005 0.000 1.158 26 L CA 0.766 55.637 54.840 0.051 0.000 0.842 26 L CB -1.456 40.620 42.059 0.028 0.000 0.952 26 L HN 0.669 nan 8.230 nan 0.000 0.452 27 A N -0.342 122.465 122.820 -0.023 0.000 1.972 27 A HA -0.163 4.147 4.320 -0.018 0.000 0.219 27 A C 1.925 179.429 177.584 -0.133 0.000 1.169 27 A CA 1.482 53.483 52.037 -0.061 0.000 0.635 27 A CB -0.375 18.596 19.000 -0.048 0.000 0.810 27 A HN 0.472 nan 8.150 nan 0.000 0.446 28 N N -0.810 117.746 118.700 -0.240 0.000 2.336 28 N HA 0.052 4.781 4.740 -0.018 0.000 0.189 28 N C 0.434 175.622 175.510 -0.537 0.000 1.113 28 N CA 0.200 52.933 53.050 -0.527 0.000 0.858 28 N CB 0.032 37.918 38.487 -1.001 0.000 0.970 28 N HN 0.406 nan 8.380 nan 0.000 0.471 29 R N 0.907 121.267 120.500 -0.233 0.000 2.349 29 R HA 0.204 4.534 4.340 -0.018 0.000 0.299 29 R C 0.645 176.900 176.300 -0.075 0.000 1.027 29 R CA -0.275 55.771 56.100 -0.090 0.000 0.958 29 R CB 0.797 31.117 30.300 0.033 0.000 1.047 29 R HN 0.066 nan 8.270 nan 0.000 0.468 30 S N 1.879 117.547 115.700 -0.053 0.000 2.640 30 S HA 0.441 4.901 4.470 -0.018 0.000 0.262 30 S C 0.610 175.193 174.600 -0.028 0.000 1.232 30 S CA -0.412 57.764 58.200 -0.041 0.000 0.988 30 S CB 0.882 64.063 63.200 -0.032 0.000 1.034 30 S HN 0.662 nan 8.310 nan 0.000 0.569 31 G N -0.719 108.066 108.800 -0.025 0.000 2.588 31 G HA2 0.482 4.431 3.960 -0.018 0.000 0.281 31 G HA3 0.482 4.431 3.960 -0.018 0.000 0.281 31 G C -0.526 174.356 174.900 -0.031 0.000 1.236 31 G CA -0.816 44.272 45.100 -0.021 0.000 0.969 31 G HN 0.764 nan 8.290 nan 0.000 0.504 32 V N 0.276 120.169 119.914 -0.035 0.000 2.686 32 V HA 0.468 4.578 4.120 -0.018 0.000 0.295 32 V C 1.367 177.412 176.094 -0.080 0.000 1.055 32 V CA 0.462 62.718 62.300 -0.073 0.000 1.050 32 V CB 1.034 32.814 31.823 -0.071 0.000 0.984 32 V HN 0.942 nan 8.190 nan 0.000 0.482 33 G N 4.637 113.362 108.800 -0.125 0.000 2.525 33 G HA2 0.544 4.494 3.960 -0.018 0.000 0.287 33 G HA3 0.544 4.494 3.960 -0.018 0.000 0.287 33 G C -2.485 172.340 174.900 -0.125 0.000 1.350 33 G CA -1.018 44.022 45.100 -0.100 0.000 1.039 33 G HN 0.623 nan 8.290 nan 0.000 0.513 34 P HA 0.261 nan 4.420 nan 0.000 0.274 34 P C -0.895 176.372 177.300 -0.055 0.000 1.231 34 P CA -0.275 62.823 63.100 -0.002 0.000 0.790 34 P CB 0.780 32.499 31.700 0.031 0.000 0.951 35 F N 0.336 120.280 119.950 -0.010 0.000 2.410 35 F HA 0.247 4.763 4.527 -0.018 0.000 0.334 35 F C 1.532 177.320 175.800 -0.019 0.000 1.134 35 F CA 0.606 58.595 58.000 -0.019 0.000 1.227 35 F CB 0.762 39.742 39.000 -0.032 0.000 1.194 35 F HN 0.169 nan 8.300 nan 0.000 0.571 36 S N 1.045 116.840 115.700 0.158 0.000 2.733 36 S HA 0.229 4.688 4.470 -0.018 0.000 0.307 36 S C 0.596 175.224 174.600 0.047 0.000 1.127 36 S CA -0.622 57.629 58.200 0.085 0.000 1.097 36 S CB 0.838 64.073 63.200 0.058 0.000 1.003 36 S HN 0.703 nan 8.310 nan 0.000 0.477 37 T N 5.037 119.594 114.554 0.004 0.000 2.759 37 T HA -0.137 4.203 4.350 -0.018 0.000 0.269 37 T C 1.777 176.404 174.700 -0.121 0.000 1.042 37 T CA 1.867 63.889 62.100 -0.130 0.000 1.140 37 T CB -0.372 68.450 68.868 -0.076 0.000 0.864 37 T HN 0.611 nan 8.240 nan 0.000 0.455 38 L N 0.852 122.123 121.223 0.079 0.000 1.994 38 L HA 0.009 4.339 4.340 -0.018 0.000 0.208 38 L C 2.178 179.185 176.870 0.228 0.000 1.071 38 L CA 1.691 56.665 54.840 0.223 0.000 0.745 38 L CB -0.576 41.583 42.059 0.167 0.000 0.892 38 L HN 0.222 nan 8.230 nan 0.000 0.431 39 L N -0.373 120.937 121.223 0.144 0.000 2.131 39 L HA -0.108 4.221 4.340 -0.018 0.000 0.210 39 L C 2.557 179.530 176.870 0.173 0.000 1.092 39 L CA 1.025 55.967 54.840 0.170 0.000 0.759 39 L CB -1.427 40.701 42.059 0.116 0.000 0.903 39 L HN 0.515 nan 8.230 nan 0.000 0.435 40 G N -0.553 108.269 108.800 0.037 0.000 2.499 40 G HA2 -0.271 3.678 3.960 -0.018 0.000 0.221 40 G HA3 -0.271 3.678 3.960 -0.018 0.000 0.221 40 G C 1.098 175.965 174.900 -0.055 0.000 1.109 40 G CA 0.348 45.403 45.100 -0.076 0.000 0.749 40 G HN 0.473 nan 8.290 nan 0.000 0.568 41 W N -1.708 119.725 121.300 0.222 0.000 2.800 41 W HA 0.365 5.014 4.660 -0.018 0.000 0.249 41 W C 1.765 178.577 176.519 0.489 0.000 1.294 41 W CA -0.548 56.978 57.345 0.301 0.000 1.402 41 W CB 0.010 29.626 29.460 0.259 0.000 1.126 41 W HN 0.170 nan 8.180 nan 0.000 0.652 42 F N -1.233 118.964 119.950 0.411 0.000 2.581 42 F HA 0.455 4.972 4.527 -0.017 0.000 0.278 42 F C 1.351 177.217 175.800 0.110 0.000 1.000 42 F CA 1.024 59.176 58.000 0.254 0.000 1.230 42 F CB -0.149 39.013 39.000 0.269 0.000 1.008 42 F HN -0.256 nan 8.300 nan 0.000 0.695 43 G N -0.263 108.650 108.800 0.189 0.000 3.183 43 G HA2 0.217 4.166 3.960 -0.018 0.000 0.247 43 G HA3 0.217 4.166 3.960 -0.018 0.000 0.247 43 G C -1.373 173.569 174.900 0.069 0.000 1.211 43 G CA -0.922 44.211 45.100 0.056 0.000 0.835 43 G HN 0.014 nan 8.290 nan 0.000 0.604 44 N N -0.120 118.612 118.700 0.053 0.000 2.479 44 N HA 0.414 5.144 4.740 -0.018 0.000 0.257 44 N C 1.128 176.678 175.510 0.068 0.000 1.232 44 N CA 0.583 53.666 53.050 0.054 0.000 0.920 44 N CB 1.638 40.148 38.487 0.037 0.000 1.105 44 N HN 0.549 nan 8.380 nan 0.000 0.444 45 A N 1.826 124.707 122.820 0.102 0.000 2.030 45 A HA -0.039 4.270 4.320 -0.018 0.000 0.215 45 A C 0.880 178.496 177.584 0.054 0.000 1.164 45 A CA 0.364 52.482 52.037 0.135 0.000 0.697 45 A CB -0.232 18.907 19.000 0.232 0.000 0.827 45 A HN 0.759 nan 8.150 nan 0.000 0.457 46 Q N 0.415 120.185 119.800 -0.050 0.000 2.337 46 Q HA 0.299 4.628 4.340 -0.018 0.000 0.270 46 Q C -1.511 174.295 176.000 -0.323 0.000 1.002 46 Q CA -0.041 55.458 55.803 -0.507 0.000 0.888 46 Q CB 0.335 28.819 28.738 -0.422 0.000 1.222 46 Q HN 0.233 nan 8.270 nan 0.000 0.400 47 L N 3.940 124.925 121.223 -0.396 0.000 2.341 47 L HA 0.656 4.986 4.340 -0.018 0.000 0.278 47 L C 0.375 177.126 176.870 -0.199 0.000 1.005 47 L CA 1.215 55.931 54.840 -0.207 0.000 0.818 47 L CB 1.039 43.009 42.059 -0.148 0.000 1.259 47 L HN 0.941 nan 8.230 nan 0.000 0.418 48 G N 4.557 113.287 108.800 -0.116 0.000 2.782 48 G HA2 -0.127 3.823 3.960 -0.018 0.000 0.228 48 G HA3 -0.127 3.823 3.960 -0.018 0.000 0.228 48 G C -2.872 171.978 174.900 -0.085 0.000 1.372 48 G CA -0.967 44.084 45.100 -0.082 0.000 0.862 48 G HN 0.457 nan 8.290 nan 0.000 0.547 49 P HA 0.520 nan 4.420 nan 0.000 0.272 49 P C 0.201 177.500 177.300 -0.002 0.000 1.240 49 P CA -0.422 62.663 63.100 -0.025 0.000 0.791 49 P CB 0.634 32.329 31.700 -0.009 0.000 0.978 50 I N 0.356 120.933 120.570 0.012 0.000 2.750 50 I HA 0.419 4.579 4.170 -0.018 0.000 0.308 50 I C -1.029 175.131 176.117 0.071 0.000 1.016 50 I CA -1.286 60.040 61.300 0.045 0.000 1.098 50 I CB 1.446 39.473 38.000 0.045 0.000 1.279 50 I HN 0.218 nan 8.210 nan 0.000 0.454 51 Y N 6.541 126.815 120.300 -0.043 0.000 2.342 51 Y HA 0.541 5.081 4.550 -0.018 0.000 0.334 51 Y C -1.328 174.542 175.900 -0.050 0.000 1.067 51 Y CA -0.608 57.460 58.100 -0.053 0.000 1.128 51 Y CB 1.191 39.603 38.460 -0.079 0.000 1.200 51 Y HN 0.322 nan 8.280 nan 0.000 0.464 52 L N 6.659 127.664 121.223 -0.363 0.000 2.471 52 L HA 0.480 4.809 4.340 -0.018 0.000 0.263 52 L C -0.152 176.522 176.870 -0.325 0.000 0.985 52 L CA -0.054 54.674 54.840 -0.187 0.000 0.868 52 L CB 0.791 42.785 42.059 -0.108 0.000 1.203 52 L HN 0.937 nan 8.230 nan 0.000 0.429 53 G N 1.257 109.971 108.800 -0.145 0.000 2.795 53 G HA2 0.361 4.310 3.960 -0.018 0.000 0.267 53 G HA3 0.361 4.310 3.960 -0.018 0.000 0.267 53 G C 0.738 175.639 174.900 0.001 0.000 1.362 53 G CA -0.033 45.021 45.100 -0.076 0.000 1.048 53 G HN 0.482 nan 8.290 nan 0.000 0.547 54 S N -0.877 114.836 115.700 0.022 0.000 2.359 54 S HA -0.157 4.303 4.470 -0.018 0.000 0.223 54 S C 2.425 177.059 174.600 0.057 0.000 1.039 54 S CA 1.247 59.465 58.200 0.030 0.000 1.042 54 S CB -0.370 62.849 63.200 0.031 0.000 0.915 54 S HN 0.293 nan 8.310 nan 0.000 0.439 55 L N 1.476 122.737 121.223 0.064 0.000 2.046 55 L HA 0.020 4.350 4.340 -0.018 0.000 0.208 55 L C 2.476 179.398 176.870 0.087 0.000 1.077 55 L CA 1.838 56.723 54.840 0.074 0.000 0.747 55 L CB -1.529 40.558 42.059 0.047 0.000 0.896 55 L HN 0.380 nan 8.230 nan 0.000 0.432 56 G N -1.652 107.181 108.800 0.055 0.000 2.422 56 G HA2 -0.188 3.761 3.960 -0.018 0.000 0.218 56 G HA3 -0.188 3.761 3.960 -0.018 0.000 0.218 56 G C 1.646 176.642 174.900 0.161 0.000 1.146 56 G CA 0.993 46.144 45.100 0.084 0.000 0.769 56 G HN 0.292 nan 8.290 nan 0.000 0.547 57 V N 0.601 120.582 119.914 0.113 0.000 2.358 57 V HA -0.101 4.008 4.120 -0.018 0.000 0.246 57 V C 2.669 178.872 176.094 0.181 0.000 1.047 57 V CA 1.595 63.967 62.300 0.119 0.000 1.035 57 V CB -0.307 31.548 31.823 0.053 0.000 0.658 57 V HN 0.378 nan 8.190 nan 0.000 0.452 58 L N -0.047 121.276 121.223 0.168 0.000 2.042 58 L HA -0.157 4.173 4.340 -0.018 0.000 0.210 58 L C 2.561 179.597 176.870 0.275 0.000 1.076 58 L CA 2.529 57.506 54.840 0.227 0.000 0.749 58 L CB -0.784 41.381 42.059 0.177 0.000 0.893 58 L HN 0.310 nan 8.230 nan 0.000 0.432 59 S N -1.085 114.767 115.700 0.253 0.000 2.355 59 S HA -0.126 4.333 4.470 -0.018 0.000 0.222 59 S C 2.011 176.750 174.600 0.233 0.000 1.031 59 S CA 1.338 59.708 58.200 0.283 0.000 0.993 59 S CB -0.425 63.046 63.200 0.452 0.000 0.859 59 S HN 0.514 nan 8.310 nan 0.000 0.453 60 L N 0.066 121.436 121.223 0.246 0.000 2.027 60 L HA -0.053 4.277 4.340 -0.018 0.000 0.206 60 L C 2.244 179.200 176.870 0.144 0.000 1.074 60 L CA 1.932 56.876 54.840 0.172 0.000 0.745 60 L CB -0.639 41.529 42.059 0.182 0.000 0.898 60 L HN 0.466 nan 8.230 nan 0.000 0.433 61 F N 0.927 120.914 119.950 0.062 0.000 2.095 61 F HA -0.280 4.237 4.527 -0.017 0.000 0.298 61 F C 2.632 178.430 175.800 -0.004 0.000 1.104 61 F CA 2.146 60.160 58.000 0.024 0.000 1.232 61 F CB -0.363 38.655 39.000 0.030 0.000 0.987 61 F HN 0.129 nan 8.300 nan 0.000 0.475 62 S N -0.083 115.571 115.700 -0.077 0.000 2.428 62 S HA 0.037 4.496 4.470 -0.018 0.000 0.230 62 S C 2.312 176.860 174.600 -0.086 0.000 1.014 62 S CA 0.588 58.687 58.200 -0.167 0.000 0.957 62 S CB -1.226 62.094 63.200 0.201 0.000 0.784 62 S HN 0.535 nan 8.310 nan 0.000 0.499 63 G N 2.486 111.286 108.800 -0.001 0.000 2.402 63 G HA2 -0.047 3.902 3.960 -0.018 0.000 0.216 63 G HA3 -0.047 3.902 3.960 -0.018 0.000 0.216 63 G C 1.345 176.334 174.900 0.149 0.000 1.162 63 G CA 0.580 45.733 45.100 0.088 0.000 0.777 63 G HN 0.467 nan 8.290 nan 0.000 0.539 64 L N 0.091 121.327 121.223 0.022 0.000 2.079 64 L HA -0.104 4.226 4.340 -0.018 0.000 0.210 64 L C 3.022 179.956 176.870 0.106 0.000 1.081 64 L CA 0.790 55.690 54.840 0.100 0.000 0.752 64 L CB -0.354 41.734 42.059 0.049 0.000 0.896 64 L HN 0.147 nan 8.230 nan 0.000 0.433 65 M N -1.551 117.855 119.600 -0.323 0.000 2.229 65 M HA -0.197 4.272 4.480 -0.018 0.000 0.264 65 M C 2.072 178.230 176.300 -0.238 0.000 1.063 65 M CA 1.450 56.389 55.300 -0.602 0.000 1.114 65 M CB -1.168 30.397 32.600 -1.724 0.000 1.387 65 M HN 0.448 nan 8.290 nan 0.000 0.420 66 W N 0.691 121.862 121.300 -0.214 0.000 2.355 66 W HA -0.252 4.398 4.660 -0.016 0.000 0.309 66 W C 2.227 178.682 176.519 -0.107 0.000 1.206 66 W CA 1.406 58.704 57.345 -0.078 0.000 1.284 66 W CB -0.942 28.471 29.460 -0.077 0.000 1.145 66 W HN 0.175 nan 8.180 nan 0.000 0.502 67 F N 0.027 119.789 119.950 -0.313 0.000 2.095 67 F HA -0.215 4.301 4.527 -0.017 0.000 0.298 67 F C 2.093 177.606 175.800 -0.478 0.000 1.104 67 F CA 2.334 60.003 58.000 -0.551 0.000 1.232 67 F CB -0.951 37.868 39.000 -0.302 0.000 0.987 67 F HN -0.145 nan 8.300 nan 0.000 0.475 68 F N -0.169 119.710 119.950 -0.119 0.000 2.325 68 F HA -0.119 4.398 4.527 -0.016 0.000 0.299 68 F C 2.448 178.162 175.800 -0.143 0.000 1.090 68 F CA 1.575 59.506 58.000 -0.115 0.000 1.392 68 F CB -1.060 37.932 39.000 -0.013 0.000 1.053 68 F HN -0.155 nan 8.300 nan 0.000 0.521 69 T N 0.549 115.101 114.554 -0.003 0.000 2.746 69 T HA -0.156 4.183 4.350 -0.018 0.000 0.267 69 T C 2.116 176.733 174.700 -0.139 0.000 1.039 69 T CA 1.397 63.497 62.100 -0.000 0.000 1.142 69 T CB -0.374 68.542 68.868 0.081 0.000 0.866 69 T HN 0.178 nan 8.240 nan 0.000 0.444 70 I N 1.087 121.384 120.570 -0.455 0.000 2.252 70 I HA -0.055 4.105 4.170 -0.018 0.000 0.245 70 I C 2.891 178.582 176.117 -0.711 0.000 1.102 70 I CA 1.150 62.040 61.300 -0.684 0.000 1.385 70 I CB -0.789 36.536 38.000 -1.126 0.000 1.064 70 I HN 0.296 nan 8.210 nan 0.000 0.414 71 G N 2.237 110.639 108.800 -0.664 0.000 2.480 71 G HA2 -0.275 3.675 3.960 -0.018 0.000 0.216 71 G HA3 -0.275 3.675 3.960 -0.018 0.000 0.216 71 G C 1.690 176.619 174.900 0.048 0.000 1.200 71 G CA 1.205 46.058 45.100 -0.411 0.000 0.782 71 G HN 0.565 nan 8.290 nan 0.000 0.554 72 I N -2.716 117.955 120.570 0.168 0.000 2.194 72 I HA -0.176 3.984 4.170 -0.018 0.000 0.246 72 I C 2.485 178.777 176.117 0.292 0.000 1.093 72 I CA 1.752 63.247 61.300 0.325 0.000 1.355 72 I CB -0.472 37.725 38.000 0.329 0.000 1.046 72 I HN 0.418 nan 8.210 nan 0.000 0.413 73 W N 1.708 123.046 121.300 0.063 0.000 2.363 73 W HA -0.244 4.406 4.660 -0.017 0.000 0.296 73 W C 2.129 178.731 176.519 0.139 0.000 1.212 73 W CA 1.235 58.652 57.345 0.119 0.000 1.260 73 W CB -0.273 29.260 29.460 0.122 0.000 1.131 73 W HN 0.164 nan 8.180 nan 0.000 0.530 74 F N -0.552 119.250 119.950 -0.246 0.000 2.146 74 F HA -0.089 4.430 4.527 -0.013 0.000 0.298 74 F C 2.083 177.325 175.800 -0.930 0.000 1.096 74 F CA 0.900 58.452 58.000 -0.746 0.000 1.275 74 F CB -1.670 37.040 39.000 -0.483 0.000 1.008 74 F HN -0.106 nan 8.300 nan 0.000 0.480 75 W N -1.244 119.861 121.300 -0.324 0.000 2.358 75 W HA -0.261 4.389 4.660 -0.016 0.000 0.303 75 W C 2.600 178.409 176.519 -1.183 0.000 1.208 75 W CA 1.540 58.556 57.345 -0.547 0.000 1.274 75 W CB -1.065 28.178 29.460 -0.363 0.000 1.138 75 W HN 0.069 nan 8.180 nan 0.000 0.515 76 Y N 1.155 120.754 120.300 -1.168 0.000 2.274 76 Y HA -0.269 4.272 4.550 -0.015 0.000 0.290 76 Y C 2.277 177.617 175.900 -0.934 0.000 1.145 76 Y CA 2.001 59.315 58.100 -1.309 0.000 1.203 76 Y CB -0.600 37.434 38.460 -0.711 0.000 0.984 76 Y HN 0.027 nan 8.280 nan 0.000 0.533 77 Q N -0.528 118.646 119.800 -1.042 0.000 2.230 77 Q HA -0.051 4.279 4.340 -0.018 0.000 0.202 77 Q C 2.186 177.840 176.000 -0.578 0.000 0.963 77 Q CA 0.903 56.182 55.803 -0.874 0.000 0.866 77 Q CB -0.136 28.158 28.738 -0.741 0.000 0.931 77 Q HN 0.596 nan 8.270 nan 0.000 0.452 78 A N 0.021 122.461 122.820 -0.633 0.000 2.208 78 A HA 0.222 4.531 4.320 -0.018 0.000 0.209 78 A C 1.440 178.903 177.584 -0.202 0.000 1.161 78 A CA 0.743 52.644 52.037 -0.227 0.000 0.782 78 A CB -0.350 18.593 19.000 -0.096 0.000 0.816 78 A HN 0.428 nan 8.150 nan 0.000 0.477 79 G N -2.427 106.098 108.800 -0.458 0.000 2.225 79 G HA2 -0.309 3.641 3.960 -0.018 0.000 0.267 79 G HA3 -0.309 3.641 3.960 -0.018 0.000 0.267 79 G C 0.309 175.184 174.900 -0.042 0.000 1.024 79 G CA 0.345 45.257 45.100 -0.313 0.000 0.784 79 G HN 1.171 nan 8.290 nan 0.000 0.507 80 W N -2.722 118.673 121.300 0.158 0.000 2.869 80 W HA -0.214 4.437 4.660 -0.015 0.000 0.285 80 W C 0.677 177.350 176.519 0.257 0.000 1.098 80 W CA 0.272 57.743 57.345 0.210 0.000 0.571 80 W CB -1.989 27.491 29.460 0.034 0.000 2.131 80 W HN 0.723 nan 8.180 nan 0.000 1.367 81 N N 1.180 120.110 118.700 0.385 0.000 2.439 81 N HA 0.270 4.999 4.740 -0.018 0.000 0.249 81 N C -1.019 174.736 175.510 0.410 0.000 1.003 81 N CA -2.252 50.990 53.050 0.320 0.000 0.942 81 N CB 1.364 39.960 38.487 0.182 0.000 1.115 81 N HN -0.271 nan 8.380 nan 0.000 0.505 82 P HA -0.181 nan 4.420 nan 0.000 0.216 82 P C 0.685 178.147 177.300 0.270 0.000 1.154 82 P CA 1.764 65.134 63.100 0.449 0.000 0.865 82 P CB 0.209 32.123 31.700 0.357 0.000 0.789 83 A N -1.122 121.809 122.820 0.185 0.000 1.968 83 A HA -0.092 4.217 4.320 -0.018 0.000 0.217 83 A C 2.257 179.883 177.584 0.070 0.000 1.169 83 A CA 1.345 53.446 52.037 0.106 0.000 0.638 83 A CB -1.452 17.591 19.000 0.071 0.000 0.812 83 A HN 0.055 nan 8.150 nan 0.000 0.446 84 V N -1.302 118.670 119.914 0.097 0.000 2.548 84 V HA -0.171 3.938 4.120 -0.018 0.000 0.249 84 V C 2.152 178.323 176.094 0.129 0.000 1.055 84 V CA 1.707 64.047 62.300 0.068 0.000 1.065 84 V CB -0.897 30.971 31.823 0.075 0.000 0.681 84 V HN 0.631 nan 8.190 nan 0.000 0.462 85 F N 0.778 120.726 119.950 -0.004 0.000 2.075 85 F HA -0.184 4.333 4.527 -0.016 0.000 0.297 85 F C 2.037 177.797 175.800 -0.066 0.000 1.113 85 F CA 1.862 59.807 58.000 -0.092 0.000 1.218 85 F CB -0.191 38.403 39.000 -0.676 0.000 0.984 85 F HN 0.025 nan 8.300 nan 0.000 0.472 86 L N -0.123 121.085 121.223 -0.024 0.000 2.093 86 L HA -0.167 4.163 4.340 -0.018 0.000 0.208 86 L C 2.662 179.393 176.870 -0.232 0.000 1.085 86 L CA 1.498 56.250 54.840 -0.146 0.000 0.755 86 L CB -0.881 41.170 42.059 -0.014 0.000 0.904 86 L HN 0.131 nan 8.230 nan 0.000 0.435 87 R N 0.596 120.991 120.500 -0.174 0.000 2.080 87 R HA -0.186 4.144 4.340 -0.018 0.000 0.236 87 R C 0.865 176.982 176.300 -0.305 0.000 1.137 87 R CA 2.125 58.103 56.100 -0.203 0.000 0.943 87 R CB -0.032 30.175 30.300 -0.156 0.000 0.846 87 R HN 0.289 nan 8.270 nan 0.000 0.431 88 D N 0.236 120.354 120.400 -0.470 0.000 2.368 88 D HA -0.001 4.628 4.640 -0.018 0.000 0.218 88 D C 1.271 176.910 176.300 -1.101 0.000 1.112 88 D CA -0.129 53.436 54.000 -0.725 0.000 0.834 88 D CB 0.393 40.609 40.800 -0.974 0.000 0.953 88 D HN 0.112 nan 8.370 nan 0.000 0.505 89 L N 0.135 120.896 121.223 -0.770 0.000 2.064 89 L HA -0.228 4.101 4.340 -0.018 0.000 0.216 89 L C 1.357 178.031 176.870 -0.327 0.000 1.077 89 L CA 1.765 56.262 54.840 -0.571 0.000 0.766 89 L CB -0.412 41.373 42.059 -0.457 0.000 0.890 89 L HN 0.007 nan 8.230 nan 0.000 0.435 90 F N -2.371 117.156 119.950 -0.705 0.000 2.776 90 F HA 0.106 4.623 4.527 -0.017 0.000 0.300 90 F C 1.797 176.951 175.800 -1.076 0.000 1.116 90 F CA 0.017 57.429 58.000 -0.979 0.000 1.375 90 F CB -0.715 37.303 39.000 -1.636 0.000 1.109 90 F HN 0.029 nan 8.300 nan 0.000 0.585 91 F N -1.719 117.906 119.950 -0.542 0.000 2.714 91 F HA 0.140 4.662 4.527 -0.008 0.000 0.294 91 F C 0.719 176.298 175.800 -0.368 0.000 1.120 91 F CA -0.345 57.447 58.000 -0.346 0.000 1.398 91 F CB -0.505 38.297 39.000 -0.329 0.000 1.120 91 F HN -0.355 nan 8.300 nan 0.000 0.589 92 F N 0.721 120.438 119.950 -0.389 0.000 2.563 92 F HA 0.269 4.788 4.527 -0.013 0.000 0.363 92 F C 0.773 176.322 175.800 -0.419 0.000 1.123 92 F CA -0.367 57.208 58.000 -0.708 0.000 1.307 92 F CB 0.210 38.124 39.000 -1.809 0.000 1.115 92 F HN -0.333 nan 8.300 nan 0.000 0.592 93 S N 3.821 119.679 115.700 0.264 0.000 2.575 93 S HA 0.500 4.959 4.470 -0.018 0.000 0.278 93 S C -1.319 173.723 174.600 0.736 0.000 1.139 93 S CA -0.815 57.676 58.200 0.486 0.000 0.954 93 S CB 0.812 64.212 63.200 0.332 0.000 1.054 93 S HN 0.637 nan 8.310 nan 0.000 0.483 94 L N 4.682 126.291 121.223 0.644 0.000 2.259 94 L HA 0.534 4.864 4.340 -0.018 0.000 0.288 94 L C -0.429 176.598 176.870 0.262 0.000 1.051 94 L CA -0.306 54.672 54.840 0.230 0.000 0.824 94 L CB 0.583 42.771 42.059 0.215 0.000 1.206 94 L HN 0.694 nan 8.230 nan 0.000 0.429 95 E N 6.215 126.459 120.200 0.074 0.000 2.242 95 E HA 0.450 4.790 4.350 -0.018 0.000 0.275 95 E C -2.341 174.079 176.600 -0.300 0.000 1.002 95 E CA -1.823 54.553 56.400 -0.041 0.000 0.841 95 E CB 1.433 31.145 29.700 0.020 0.000 1.109 95 E HN 0.411 nan 8.360 nan 0.000 0.394 96 P HA 0.162 nan 4.420 nan 0.000 0.273 96 P C -2.541 174.495 177.300 -0.440 0.000 1.250 96 P CA -1.386 61.029 63.100 -1.142 0.000 0.793 96 P CB -0.649 30.178 31.700 -1.455 0.000 1.011 97 P HA -0.005 nan 4.420 nan 0.000 0.264 97 P C 0.015 177.314 177.300 -0.002 0.000 1.183 97 P CA 0.601 63.628 63.100 -0.121 0.000 0.763 97 P CB -0.049 31.608 31.700 -0.070 0.000 0.807 98 A N 6.420 129.317 122.820 0.129 0.000 2.536 98 A HA 0.089 4.398 4.320 -0.018 0.000 0.234 98 A C -1.062 176.597 177.584 0.125 0.000 1.076 98 A CA -0.450 51.669 52.037 0.136 0.000 0.769 98 A CB -1.141 17.972 19.000 0.188 0.000 1.020 98 A HN 0.454 nan 8.150 nan 0.000 0.508 99 P HA -0.197 nan 4.420 nan 0.000 0.218 99 P C 1.178 178.469 177.300 -0.015 0.000 1.146 99 P CA 1.629 64.730 63.100 0.002 0.000 0.813 99 P CB 0.063 31.749 31.700 -0.023 0.000 0.778 100 E N -1.154 119.019 120.200 -0.045 0.000 2.347 100 E HA -0.172 4.167 4.350 -0.018 0.000 0.196 100 E C 0.899 177.368 176.600 -0.218 0.000 1.008 100 E CA 1.048 57.357 56.400 -0.152 0.000 0.852 100 E CB -0.970 28.594 29.700 -0.227 0.000 0.783 100 E HN 0.350 nan 8.360 nan 0.000 0.505 101 Y N 1.446 121.738 120.300 -0.014 0.000 2.490 101 Y HA 0.210 4.749 4.550 -0.018 0.000 0.281 101 Y C 1.911 177.796 175.900 -0.026 0.000 1.174 101 Y CA 0.334 58.432 58.100 -0.002 0.000 1.295 101 Y CB -0.014 38.460 38.460 0.023 0.000 1.062 101 Y HN 0.213 nan 8.280 nan 0.000 0.522 102 G N 1.028 109.857 108.800 0.048 0.000 2.661 102 G HA2 -0.366 3.583 3.960 -0.018 0.000 0.327 102 G HA3 -0.366 3.583 3.960 -0.018 0.000 0.327 102 G C 0.661 175.476 174.900 -0.141 0.000 1.320 102 G CA 0.729 45.794 45.100 -0.059 0.000 0.997 102 G HN 0.310 nan 8.290 nan 0.000 0.543 103 L N 1.496 122.577 121.223 -0.236 0.000 2.728 103 L HA 0.361 4.691 4.340 -0.018 0.000 0.235 103 L C 1.557 178.304 176.870 -0.205 0.000 1.197 103 L CA 0.469 55.022 54.840 -0.479 0.000 0.992 103 L CB 0.028 41.771 42.059 -0.527 0.000 1.263 103 L HN 0.506 nan 8.230 nan 0.000 0.484 104 S N -0.560 115.127 115.700 -0.021 0.000 2.580 104 S HA 0.214 4.673 4.470 -0.018 0.000 0.274 104 S C 0.444 175.005 174.600 -0.065 0.000 1.329 104 S CA -0.348 57.864 58.200 0.021 0.000 1.036 104 S CB 0.592 63.883 63.200 0.152 0.000 0.919 104 S HN 0.234 nan 8.310 nan 0.000 0.515 105 F N 2.261 122.328 119.950 0.196 0.000 2.692 105 F HA 0.390 4.906 4.527 -0.017 0.000 0.303 105 F C 1.677 177.499 175.800 0.036 0.000 1.114 105 F CA 0.033 58.092 58.000 0.097 0.000 1.361 105 F CB -0.090 38.943 39.000 0.055 0.000 1.063 105 F HN 0.702 nan 8.300 nan 0.000 0.550 106 A N 0.118 123.041 122.820 0.171 0.000 2.465 106 A HA 0.646 4.955 4.320 -0.018 0.000 0.255 106 A C 1.139 178.743 177.584 0.032 0.000 1.274 106 A CA -0.072 52.041 52.037 0.126 0.000 0.920 106 A CB -0.664 18.437 19.000 0.169 0.000 1.033 106 A HN 0.112 nan 8.150 nan 0.000 0.516 107 A N 1.481 124.187 122.820 -0.191 0.000 2.520 107 A HA 0.508 4.818 4.320 -0.018 0.000 0.245 107 A C -2.339 175.063 177.584 -0.304 0.000 1.072 107 A CA -0.835 50.798 52.037 -0.673 0.000 0.761 107 A CB -0.422 18.078 19.000 -0.834 0.000 1.004 107 A HN 0.268 nan 8.150 nan 0.000 0.499 108 P HA 0.042 nan 4.420 nan 0.000 0.267 108 P C 0.995 178.251 177.300 -0.073 0.000 1.200 108 P CA -0.423 62.637 63.100 -0.066 0.000 0.772 108 P CB 0.423 32.132 31.700 0.016 0.000 0.855 109 L N 2.899 124.108 121.223 -0.025 0.000 2.137 109 L HA -0.230 4.099 4.340 -0.018 0.000 0.213 109 L C 1.747 178.601 176.870 -0.027 0.000 1.085 109 L CA 2.045 56.874 54.840 -0.018 0.000 0.760 109 L CB -0.599 41.470 42.059 0.017 0.000 0.893 109 L HN 0.381 nan 8.230 nan 0.000 0.434 110 K N -0.956 119.461 120.400 0.028 0.000 2.393 110 K HA 0.078 4.388 4.320 -0.018 0.000 0.193 110 K C 0.278 176.916 176.600 0.064 0.000 1.026 110 K CA 0.307 56.664 56.287 0.116 0.000 1.064 110 K CB 0.268 32.914 32.500 0.243 0.000 0.833 110 K HN 0.348 nan 8.250 nan 0.000 0.521 111 E N -0.144 120.043 120.200 -0.021 0.000 3.167 111 E HA 0.173 4.513 4.350 -0.018 0.000 0.210 111 E C 0.300 176.800 176.600 -0.166 0.000 1.004 111 E CA -0.263 56.115 56.400 -0.036 0.000 1.256 111 E CB 1.264 30.994 29.700 0.050 0.000 1.193 111 E HN 0.340 nan 8.360 nan 0.000 0.448 112 G N -0.220 108.470 108.800 -0.184 0.000 2.624 112 G HA2 -0.218 3.731 3.960 -0.018 0.000 0.190 112 G HA3 -0.218 3.731 3.960 -0.018 0.000 0.190 112 G C 1.115 175.970 174.900 -0.076 0.000 1.008 112 G CA -0.216 44.790 45.100 -0.157 0.000 0.731 112 G HN 0.441 nan 8.290 nan 0.000 0.478 113 G N 0.701 109.430 108.800 -0.118 0.000 2.408 113 G HA2 0.105 4.054 3.960 -0.018 0.000 0.217 113 G HA3 0.105 4.054 3.960 -0.018 0.000 0.217 113 G C 1.664 176.550 174.900 -0.023 0.000 1.150 113 G CA 1.551 46.613 45.100 -0.064 0.000 0.776 113 G HN 0.589 nan 8.290 nan 0.000 0.542 114 L N -0.853 120.333 121.223 -0.061 0.000 2.217 114 L HA 0.213 4.542 4.340 -0.018 0.000 0.211 114 L C 2.262 179.138 176.870 0.009 0.000 1.107 114 L CA 0.769 55.584 54.840 -0.042 0.000 0.783 114 L CB -0.575 41.426 42.059 -0.098 0.000 0.919 114 L HN 0.497 nan 8.230 nan 0.000 0.442 115 W N -0.352 120.856 121.300 -0.154 0.000 2.358 115 W HA -0.211 4.438 4.660 -0.018 0.000 0.303 115 W C 2.112 178.639 176.519 0.013 0.000 1.208 115 W CA 1.576 58.909 57.345 -0.020 0.000 1.274 115 W CB -0.060 29.341 29.460 -0.099 0.000 1.138 115 W HN 0.083 nan 8.180 nan 0.000 0.515 116 L N 0.086 121.422 121.223 0.189 0.000 2.093 116 L HA -0.225 4.105 4.340 -0.018 0.000 0.208 116 L C 2.405 179.221 176.870 -0.090 0.000 1.085 116 L CA 1.274 56.103 54.840 -0.019 0.000 0.755 116 L CB -0.759 41.308 42.059 0.015 0.000 0.904 116 L HN 0.019 nan 8.230 nan 0.000 0.435 117 I N -0.342 120.199 120.570 -0.048 0.000 2.202 117 I HA -0.261 3.899 4.170 -0.018 0.000 0.242 117 I C 2.816 178.943 176.117 0.017 0.000 1.091 117 I CA 1.072 62.329 61.300 -0.071 0.000 1.368 117 I CB -0.519 37.471 38.000 -0.017 0.000 1.058 117 I HN 0.200 nan 8.210 nan 0.000 0.410 118 A N 0.308 123.172 122.820 0.073 0.000 1.883 118 A HA -0.227 4.082 4.320 -0.018 0.000 0.217 118 A C 2.493 180.182 177.584 0.175 0.000 1.186 118 A CA 2.386 54.511 52.037 0.148 0.000 0.624 118 A CB -0.801 18.126 19.000 -0.121 0.000 0.822 118 A HN 0.389 nan 8.150 nan 0.000 0.444 119 S N -1.309 114.345 115.700 -0.077 0.000 2.368 119 S HA -0.119 4.340 4.470 -0.018 0.000 0.225 119 S C 1.630 176.340 174.600 0.184 0.000 1.030 119 S CA 1.363 59.551 58.200 -0.021 0.000 0.999 119 S CB -0.515 62.368 63.200 -0.527 0.000 0.844 119 S HN 0.628 nan 8.310 nan 0.000 0.459 120 F N 1.886 121.794 119.950 -0.071 0.000 2.095 120 F HA -0.166 4.351 4.527 -0.018 0.000 0.298 120 F C 1.695 177.515 175.800 0.033 0.000 1.104 120 F CA 1.386 59.315 58.000 -0.119 0.000 1.232 120 F CB -0.516 38.264 39.000 -0.367 0.000 0.987 120 F HN 0.127 nan 8.300 nan 0.000 0.475 121 F N -0.024 120.000 119.950 0.124 0.000 2.171 121 F HA -0.208 4.308 4.527 -0.018 0.000 0.300 121 F C 2.661 178.429 175.800 -0.052 0.000 1.090 121 F CA 1.626 59.647 58.000 0.035 0.000 1.293 121 F CB -1.131 37.964 39.000 0.159 0.000 1.013 121 F HN 0.067 nan 8.300 nan 0.000 0.486 122 M N -1.377 118.267 119.600 0.073 0.000 2.117 122 M HA -0.234 4.236 4.480 -0.018 0.000 0.262 122 M C 2.307 178.620 176.300 0.022 0.000 1.065 122 M CA 1.677 56.805 55.300 -0.288 0.000 1.114 122 M CB -0.404 31.850 32.600 -0.577 0.000 1.361 122 M HN 0.189 nan 8.290 nan 0.000 0.408 123 F N 0.074 120.073 119.950 0.083 0.000 2.102 123 F HA -0.216 4.300 4.527 -0.018 0.000 0.298 123 F C 1.871 177.735 175.800 0.107 0.000 1.105 123 F CA 1.683 59.784 58.000 0.167 0.000 1.239 123 F CB -0.263 38.658 39.000 -0.131 0.000 0.991 123 F HN -0.126 nan 8.300 nan 0.000 0.474 124 V N 0.429 120.433 119.914 0.150 0.000 2.407 124 V HA -0.312 3.798 4.120 -0.018 0.000 0.248 124 V C 2.654 178.809 176.094 0.101 0.000 1.055 124 V CA 1.696 64.047 62.300 0.085 0.000 1.049 124 V CB -1.459 30.320 31.823 -0.073 0.000 0.662 124 V HN 0.497 nan 8.190 nan 0.000 0.455 125 A N -0.264 122.581 122.820 0.041 0.000 1.902 125 A HA -0.139 4.170 4.320 -0.018 0.000 0.217 125 A C 2.368 179.949 177.584 -0.005 0.000 1.181 125 A CA 2.064 54.113 52.037 0.020 0.000 0.623 125 A CB -0.584 18.366 19.000 -0.083 0.000 0.818 125 A HN 0.344 nan 8.150 nan 0.000 0.443 126 V N -2.502 117.286 119.914 -0.211 0.000 2.379 126 V HA -0.236 3.874 4.120 -0.018 0.000 0.245 126 V C 2.220 178.150 176.094 -0.273 0.000 1.044 126 V CA 1.558 63.630 62.300 -0.381 0.000 1.036 126 V CB -0.971 30.231 31.823 -1.036 0.000 0.664 126 V HN 0.785 nan 8.190 nan 0.000 0.453 127 W N 0.285 121.488 121.300 -0.161 0.000 2.436 127 W HA -0.090 4.559 4.660 -0.017 0.000 0.284 127 W C 2.788 179.380 176.519 0.123 0.000 1.225 127 W CA 1.174 58.465 57.345 -0.089 0.000 1.271 127 W CB -0.291 28.991 29.460 -0.296 0.000 1.114 127 W HN 0.099 nan 8.180 nan 0.000 0.559 128 S N -0.606 115.281 115.700 0.312 0.000 2.356 128 S HA -0.229 4.230 4.470 -0.018 0.000 0.223 128 S C 1.491 176.244 174.600 0.256 0.000 1.032 128 S CA 1.154 59.512 58.200 0.262 0.000 1.005 128 S CB -0.960 62.378 63.200 0.230 0.000 0.867 128 S HN 0.391 nan 8.310 nan 0.000 0.449 129 W N 0.762 122.138 121.300 0.127 0.000 2.338 129 W HA -0.196 4.454 4.660 -0.016 0.000 0.304 129 W C 2.039 178.720 176.519 0.270 0.000 1.212 129 W CA 1.275 58.711 57.345 0.152 0.000 1.264 129 W CB -0.550 28.988 29.460 0.131 0.000 1.142 129 W HN 0.448 nan 8.180 nan 0.000 0.512 130 W N 1.339 122.821 121.300 0.305 0.000 2.335 130 W HA -0.172 4.477 4.660 -0.018 0.000 0.311 130 W C 2.531 179.138 176.519 0.148 0.000 1.213 130 W CA 3.441 60.893 57.345 0.178 0.000 1.274 130 W CB -0.934 28.381 29.460 -0.240 0.000 1.148 130 W HN -0.112 nan 8.180 nan 0.000 0.498 131 G N 0.209 109.100 108.800 0.150 0.000 2.422 131 G HA2 -0.335 3.614 3.960 -0.018 0.000 0.218 131 G HA3 -0.335 3.614 3.960 -0.018 0.000 0.218 131 G C 1.580 176.359 174.900 -0.202 0.000 1.146 131 G CA 1.095 46.131 45.100 -0.106 0.000 0.769 131 G HN 0.356 nan 8.290 nan 0.000 0.547 132 R N 0.549 120.932 120.500 -0.195 0.000 2.091 132 R HA -0.145 4.185 4.340 -0.018 0.000 0.238 132 R C 2.766 178.822 176.300 -0.407 0.000 1.136 132 R CA 2.296 58.193 56.100 -0.337 0.000 0.959 132 R CB -0.756 29.232 30.300 -0.520 0.000 0.856 132 R HN 0.461 nan 8.270 nan 0.000 0.437 133 T N -2.210 112.099 114.554 -0.408 0.000 2.867 133 T HA -0.200 4.140 4.350 -0.018 0.000 0.268 133 T C 1.807 176.325 174.700 -0.304 0.000 1.057 133 T CA 1.178 63.084 62.100 -0.322 0.000 1.136 133 T CB -0.514 68.257 68.868 -0.163 0.000 0.874 133 T HN 0.486 nan 8.240 nan 0.000 0.466 134 Y N 1.650 121.634 120.300 -0.527 0.000 2.153 134 Y HA 0.198 4.738 4.550 -0.018 0.000 0.289 134 Y C 2.184 177.888 175.900 -0.326 0.000 1.127 134 Y CA 1.036 58.848 58.100 -0.480 0.000 1.131 134 Y CB -0.237 37.779 38.460 -0.739 0.000 0.995 134 Y HN 0.101 nan 8.280 nan 0.000 0.505 135 L N -0.214 120.968 121.223 -0.068 0.000 2.131 135 L HA -0.213 4.116 4.340 -0.018 0.000 0.210 135 L C 2.396 179.119 176.870 -0.245 0.000 1.092 135 L CA 0.828 55.609 54.840 -0.098 0.000 0.759 135 L CB -0.451 41.561 42.059 -0.078 0.000 0.903 135 L HN 0.155 nan 8.230 nan 0.000 0.435 136 R N 0.349 120.661 120.500 -0.314 0.000 2.075 136 R HA -0.025 4.304 4.340 -0.018 0.000 0.232 136 R C 2.346 178.472 176.300 -0.289 0.000 1.126 136 R CA 1.325 57.210 56.100 -0.359 0.000 0.963 136 R CB -1.375 28.710 30.300 -0.358 0.000 0.858 136 R HN 0.306 nan 8.270 nan 0.000 0.435 137 A N 1.179 123.828 122.820 -0.284 0.000 1.873 137 A HA -0.282 4.027 4.320 -0.018 0.000 0.218 137 A C 2.232 179.652 177.584 -0.272 0.000 1.193 137 A CA 1.908 53.784 52.037 -0.269 0.000 0.629 137 A CB -0.705 18.113 19.000 -0.304 0.000 0.826 137 A HN 0.456 nan 8.150 nan 0.000 0.447 138 Q N -0.705 118.896 119.800 -0.332 0.000 2.061 138 Q HA -0.178 4.152 4.340 -0.018 0.000 0.204 138 Q C 2.165 178.067 176.000 -0.165 0.000 0.984 138 Q CA 1.934 57.588 55.803 -0.248 0.000 0.846 138 Q CB -0.384 28.230 28.738 -0.207 0.000 0.902 138 Q HN 0.622 nan 8.270 nan 0.000 0.421 139 A N 0.343 123.057 122.820 -0.176 0.000 1.972 139 A HA -0.118 4.192 4.320 -0.018 0.000 0.219 139 A C 1.843 179.347 177.584 -0.133 0.000 1.169 139 A CA 1.072 53.019 52.037 -0.151 0.000 0.635 139 A CB -0.422 18.452 19.000 -0.210 0.000 0.810 139 A HN 0.458 nan 8.150 nan 0.000 0.446 140 L N -1.088 120.045 121.223 -0.150 0.000 2.591 140 L HA 0.202 4.532 4.340 -0.018 0.000 0.228 140 L C 1.609 178.419 176.870 -0.100 0.000 1.133 140 L CA 0.494 55.263 54.840 -0.118 0.000 0.880 140 L CB -0.135 41.849 42.059 -0.124 0.000 1.033 140 L HN 0.553 nan 8.230 nan 0.000 0.450 141 G N 0.067 108.804 108.800 -0.105 0.000 2.153 141 G HA2 -0.310 3.639 3.960 -0.018 0.000 0.252 141 G HA3 -0.310 3.639 3.960 -0.018 0.000 0.252 141 G C 0.247 175.091 174.900 -0.093 0.000 0.994 141 G CA 0.256 45.302 45.100 -0.089 0.000 0.698 141 G HN 0.283 nan 8.290 nan 0.000 0.521 142 M N 0.231 119.761 119.600 -0.116 0.000 2.471 142 M HA 0.554 5.023 4.480 -0.018 0.000 0.309 142 M C 1.394 177.632 176.300 -0.104 0.000 1.186 142 M CA -0.077 55.164 55.300 -0.098 0.000 1.008 142 M CB 0.931 33.469 32.600 -0.104 0.000 1.551 142 M HN 0.214 nan 8.290 nan 0.000 0.477 143 G N 0.753 109.535 108.800 -0.030 0.000 2.690 143 G HA2 0.071 4.020 3.960 -0.018 0.000 0.239 143 G HA3 0.071 4.020 3.960 -0.018 0.000 0.239 143 G C 0.182 175.034 174.900 -0.079 0.000 1.233 143 G CA -0.461 44.638 45.100 -0.002 0.000 0.847 143 G HN 0.628 nan 8.290 nan 0.000 0.588 144 K N 0.207 120.471 120.400 -0.227 0.000 2.570 144 K HA 0.121 4.431 4.320 -0.018 0.000 0.210 144 K C 1.182 177.726 176.600 -0.092 0.000 1.048 144 K CA -0.153 55.987 56.287 -0.244 0.000 1.167 144 K CB 0.076 32.404 32.500 -0.285 0.000 0.892 144 K HN 0.618 nan 8.250 nan 0.000 0.480 145 H N 0.057 119.095 119.070 -0.053 0.000 2.387 145 H HA -0.061 4.485 4.556 -0.018 0.000 0.299 145 H C 1.688 177.112 175.328 0.160 0.000 1.090 145 H CA 1.934 57.996 56.048 0.024 0.000 1.332 145 H CB -0.014 29.707 29.762 -0.070 0.000 1.386 145 H HN 0.086 nan 8.280 nan 0.000 0.516 146 T N 0.279 114.949 114.554 0.192 0.000 2.737 146 T HA -0.144 4.196 4.350 -0.018 0.000 0.265 146 T C 2.427 177.254 174.700 0.211 0.000 1.038 146 T CA 1.218 63.404 62.100 0.144 0.000 1.144 146 T CB -0.560 68.328 68.868 0.035 0.000 0.866 146 T HN 0.503 nan 8.240 nan 0.000 0.434 147 A N 0.603 123.521 122.820 0.162 0.000 1.908 147 A HA -0.158 4.151 4.320 -0.018 0.000 0.218 147 A C 2.068 180.012 177.584 0.599 0.000 1.181 147 A CA 1.812 53.993 52.037 0.240 0.000 0.627 147 A CB -1.254 17.731 19.000 -0.024 0.000 0.818 147 A HN 0.728 nan 8.150 nan 0.000 0.445 148 W N 0.531 121.991 121.300 0.265 0.000 2.355 148 W HA -0.131 4.519 4.660 -0.017 0.000 0.309 148 W C 2.445 179.031 176.519 0.113 0.000 1.206 148 W CA 2.400 59.855 57.345 0.182 0.000 1.284 148 W CB -0.219 29.253 29.460 0.021 0.000 1.145 148 W HN 0.351 nan 8.180 nan 0.000 0.502 149 A N -0.147 122.798 122.820 0.208 0.000 1.898 149 A HA -0.195 4.114 4.320 -0.018 0.000 0.216 149 A C 1.961 179.582 177.584 0.061 0.000 1.181 149 A CA 1.474 53.488 52.037 -0.039 0.000 0.620 149 A CB -1.528 17.552 19.000 0.134 0.000 0.819 149 A HN 0.437 nan 8.150 nan 0.000 0.442 150 F N 0.702 120.684 119.950 0.054 0.000 2.154 150 F HA -0.152 4.364 4.527 -0.018 0.000 0.301 150 F C 1.880 177.695 175.800 0.024 0.000 1.087 150 F CA 1.177 59.229 58.000 0.086 0.000 1.274 150 F CB -0.746 38.383 39.000 0.215 0.000 1.009 150 F HN 0.158 nan 8.300 nan 0.000 0.485 151 L N -0.968 120.272 121.223 0.028 0.000 2.191 151 L HA -0.227 4.102 4.340 -0.018 0.000 0.212 151 L C 2.686 179.443 176.870 -0.188 0.000 1.103 151 L CA 1.386 56.070 54.840 -0.259 0.000 0.769 151 L CB -0.638 41.271 42.059 -0.250 0.000 0.908 151 L HN 0.178 nan 8.230 nan 0.000 0.438 152 S N -0.646 114.939 115.700 -0.192 0.000 2.371 152 S HA -0.119 4.341 4.470 -0.018 0.000 0.224 152 S C 2.119 176.760 174.600 0.069 0.000 1.029 152 S CA 1.080 59.213 58.200 -0.112 0.000 0.978 152 S CB 0.033 63.090 63.200 -0.238 0.000 0.833 152 S HN 0.472 nan 8.310 nan 0.000 0.466 153 A N 1.662 124.522 122.820 0.067 0.000 1.877 153 A HA -0.006 4.303 4.320 -0.018 0.000 0.216 153 A C 2.074 179.706 177.584 0.080 0.000 1.186 153 A CA 1.536 53.641 52.037 0.112 0.000 0.620 153 A CB -0.901 18.216 19.000 0.196 0.000 0.822 153 A HN 0.598 nan 8.150 nan 0.000 0.443 154 I N -1.147 119.376 120.570 -0.078 0.000 2.194 154 I HA -0.334 3.826 4.170 -0.018 0.000 0.246 154 I C 2.536 178.733 176.117 0.134 0.000 1.093 154 I CA 1.816 63.035 61.300 -0.136 0.000 1.355 154 I CB -0.392 37.191 38.000 -0.695 0.000 1.046 154 I HN 0.788 nan 8.210 nan 0.000 0.413 155 W N 1.825 123.080 121.300 -0.074 0.000 2.318 155 W HA -0.274 4.376 4.660 -0.017 0.000 0.313 155 W C 2.269 178.807 176.519 0.032 0.000 1.221 155 W CA 1.468 58.798 57.345 -0.023 0.000 1.266 155 W CB -0.442 28.977 29.460 -0.069 0.000 1.150 155 W HN 0.161 nan 8.180 nan 0.000 0.496 156 L N 0.394 121.540 121.223 -0.129 0.000 1.994 156 L HA -0.238 4.092 4.340 -0.018 0.000 0.208 156 L C 2.535 179.353 176.870 -0.087 0.000 1.071 156 L CA 2.779 57.495 54.840 -0.207 0.000 0.745 156 L CB -1.350 40.705 42.059 -0.006 0.000 0.892 156 L HN 0.234 nan 8.230 nan 0.000 0.431 157 W N 0.519 121.744 121.300 -0.124 0.000 2.338 157 W HA -0.272 4.377 4.660 -0.018 0.000 0.304 157 W C 2.388 178.928 176.519 0.035 0.000 1.212 157 W CA 1.457 58.766 57.345 -0.060 0.000 1.264 157 W CB -0.220 29.197 29.460 -0.072 0.000 1.142 157 W HN 0.089 nan 8.180 nan 0.000 0.512 158 M N 0.052 119.550 119.600 -0.170 0.000 2.117 158 M HA -0.171 4.298 4.480 -0.018 0.000 0.262 158 M C 1.966 178.162 176.300 -0.174 0.000 1.065 158 M CA 1.446 56.605 55.300 -0.234 0.000 1.114 158 M CB -1.614 30.977 32.600 -0.016 0.000 1.361 158 M HN -0.027 nan 8.290 nan 0.000 0.408 159 V N 0.670 120.369 119.914 -0.357 0.000 2.287 159 V HA -0.274 3.835 4.120 -0.018 0.000 0.248 159 V C 2.515 178.487 176.094 -0.204 0.000 1.053 159 V CA 1.550 63.619 62.300 -0.385 0.000 1.027 159 V CB -0.665 30.752 31.823 -0.677 0.000 0.646 159 V HN 0.398 nan 8.190 nan 0.000 0.447 160 L N 0.042 121.144 121.223 -0.202 0.000 2.046 160 L HA -0.065 4.265 4.340 -0.018 0.000 0.208 160 L C 2.398 179.148 176.870 -0.199 0.000 1.077 160 L CA 1.800 56.544 54.840 -0.160 0.000 0.747 160 L CB -0.752 41.196 42.059 -0.184 0.000 0.896 160 L HN 0.478 nan 8.230 nan 0.000 0.432 161 G N -2.222 106.393 108.800 -0.309 0.000 2.656 161 G HA2 0.027 3.977 3.960 -0.018 0.000 0.211 161 G HA3 0.027 3.977 3.960 -0.018 0.000 0.211 161 G C 0.947 175.446 174.900 -0.669 0.000 1.137 161 G CA 0.109 44.870 45.100 -0.565 0.000 0.802 161 G HN 0.242 nan 8.290 nan 0.000 0.527 162 F N -0.817 119.154 119.950 0.036 0.000 1.964 162 F HA 0.373 4.890 4.527 -0.017 0.000 0.248 162 F C 2.159 178.001 175.800 0.071 0.000 1.051 162 F CA -0.343 57.767 58.000 0.185 0.000 1.221 162 F CB -0.097 38.965 39.000 0.104 0.000 1.497 162 F HN -0.100 nan 8.300 nan 0.000 0.653 163 I N 0.643 121.316 120.570 0.171 0.000 2.202 163 I HA -0.226 3.933 4.170 -0.018 0.000 0.242 163 I C 2.590 178.709 176.117 0.003 0.000 1.091 163 I CA 1.474 62.814 61.300 0.067 0.000 1.368 163 I CB -0.369 37.638 38.000 0.011 0.000 1.058 163 I HN 0.099 nan 8.210 nan 0.000 0.410 164 R N 0.988 121.475 120.500 -0.021 0.000 2.070 164 R HA -0.144 4.186 4.340 -0.018 0.000 0.233 164 R C -0.399 175.892 176.300 -0.014 0.000 1.137 164 R CA 1.799 57.897 56.100 -0.003 0.000 0.945 164 R CB -1.164 29.158 30.300 0.037 0.000 0.845 164 R HN 0.191 nan 8.270 nan 0.000 0.430 165 P HA -0.148 nan 4.420 nan 0.000 0.216 165 P C 1.082 178.202 177.300 -0.299 0.000 1.150 165 P CA 1.377 64.407 63.100 -0.117 0.000 0.837 165 P CB -0.029 31.636 31.700 -0.059 0.000 0.786 166 I N -1.423 118.959 120.570 -0.313 0.000 2.179 166 I HA -0.224 3.936 4.170 -0.018 0.000 0.242 166 I C 2.192 178.190 176.117 -0.198 0.000 1.088 166 I CA 1.384 62.479 61.300 -0.341 0.000 1.357 166 I CB -0.588 37.295 38.000 -0.194 0.000 1.051 166 I HN -0.094 nan 8.210 nan 0.000 0.409 167 L N -0.423 120.734 121.223 -0.110 0.000 2.275 167 L HA -0.155 4.175 4.340 -0.018 0.000 0.215 167 L C 2.395 179.223 176.870 -0.072 0.000 1.119 167 L CA 0.734 55.534 54.840 -0.067 0.000 0.790 167 L CB -0.287 41.755 42.059 -0.027 0.000 0.919 167 L HN 0.326 nan 8.230 nan 0.000 0.443 168 M N -1.243 118.305 119.600 -0.087 0.000 2.476 168 M HA 0.125 4.595 4.480 -0.018 0.000 0.262 168 M C 1.659 177.893 176.300 -0.110 0.000 1.111 168 M CA 1.120 56.376 55.300 -0.074 0.000 1.127 168 M CB -0.255 32.319 32.600 -0.043 0.000 1.376 168 M HN 0.391 nan 8.290 nan 0.000 0.465 169 G N 0.873 109.571 108.800 -0.169 0.000 2.201 169 G HA2 -0.184 3.765 3.960 -0.018 0.000 0.212 169 G HA3 -0.184 3.765 3.960 -0.018 0.000 0.212 169 G C 0.127 174.877 174.900 -0.250 0.000 0.994 169 G CA 0.347 45.334 45.100 -0.188 0.000 0.644 169 G HN 0.618 nan 8.290 nan 0.000 0.508 170 S N -1.822 113.703 115.700 -0.292 0.000 2.535 170 S HA 0.492 4.951 4.470 -0.018 0.000 0.272 170 S C 0.297 174.707 174.600 -0.317 0.000 1.149 170 S CA -0.142 57.875 58.200 -0.305 0.000 0.888 170 S CB 0.631 63.748 63.200 -0.137 0.000 1.110 170 S HN 0.396 nan 8.310 nan 0.000 0.463 171 W N 1.732 122.931 121.300 -0.167 0.000 2.424 171 W HA -0.114 4.536 4.660 -0.018 0.000 0.264 171 W C 2.631 178.910 176.519 -0.400 0.000 1.229 171 W CA 0.962 58.134 57.345 -0.289 0.000 1.208 171 W CB -0.186 29.079 29.460 -0.325 0.000 1.127 171 W HN 0.941 nan 8.180 nan 0.000 0.588 172 S N -0.079 115.580 115.700 -0.069 0.000 2.442 172 S HA -0.191 4.269 4.470 -0.018 0.000 0.236 172 S C 1.441 176.030 174.600 -0.019 0.000 1.007 172 S CA 1.180 59.324 58.200 -0.093 0.000 0.965 172 S CB -0.330 62.850 63.200 -0.035 0.000 0.773 172 S HN 0.274 nan 8.310 nan 0.000 0.504 173 E N 1.770 121.983 120.200 0.023 0.000 2.418 173 E HA 0.232 4.572 4.350 -0.018 0.000 0.197 173 E C 1.102 177.870 176.600 0.281 0.000 1.026 173 E CA 0.580 57.084 56.400 0.173 0.000 0.862 173 E CB -0.376 29.395 29.700 0.119 0.000 0.799 173 E HN 0.741 nan 8.360 nan 0.000 0.518 174 A N 0.923 123.750 122.820 0.012 0.000 2.280 174 A HA 0.305 4.614 4.320 -0.018 0.000 0.268 174 A C 0.329 177.670 177.584 -0.405 0.000 1.111 174 A CA -0.454 51.503 52.037 -0.133 0.000 0.814 174 A CB 0.652 19.582 19.000 -0.117 0.000 1.093 174 A HN -0.035 nan 8.150 nan 0.000 0.498 175 V N 2.670 122.192 119.914 -0.654 0.000 2.498 175 V HA 0.306 4.416 4.120 -0.018 0.000 0.279 175 V C -1.837 173.972 176.094 -0.475 0.000 1.048 175 V CA -1.133 60.537 62.300 -1.050 0.000 0.967 175 V CB 0.912 32.164 31.823 -0.952 0.000 0.988 175 V HN 0.846 nan 8.190 nan 0.000 0.473 176 P HA 0.142 nan 4.420 nan 0.000 0.274 176 P C -1.224 176.039 177.300 -0.062 0.000 1.237 176 P CA -0.317 62.730 63.100 -0.089 0.000 0.793 176 P CB 0.495 32.231 31.700 0.060 0.000 0.977 177 Y N 0.531 121.015 120.300 0.306 0.000 2.632 177 Y HA 0.523 5.062 4.550 -0.018 0.000 0.336 177 Y C 1.347 177.425 175.900 0.296 0.000 1.237 177 Y CA 0.289 58.518 58.100 0.216 0.000 1.595 177 Y CB -0.211 38.317 38.460 0.113 0.000 1.508 177 Y HN 0.429 nan 8.280 nan 0.000 0.480 178 G N 1.092 110.103 108.800 0.351 0.000 2.733 178 G HA2 0.404 4.354 3.960 -0.018 0.000 0.297 178 G HA3 0.404 4.354 3.960 -0.018 0.000 0.297 178 G C 0.196 175.239 174.900 0.239 0.000 1.422 178 G CA -0.723 44.579 45.100 0.337 0.000 0.942 178 G HN 0.174 nan 8.290 nan 0.000 0.510 179 I N 0.921 121.534 120.570 0.071 0.000 2.058 179 I HA -0.100 4.059 4.170 -0.018 0.000 0.235 179 I C 2.492 178.738 176.117 0.215 0.000 1.053 179 I CA 1.522 62.801 61.300 -0.036 0.000 1.313 179 I CB -1.022 36.541 38.000 -0.728 0.000 1.039 179 I HN 0.425 nan 8.210 nan 0.000 0.396 180 F N 1.670 121.542 119.950 -0.131 0.000 2.206 180 F HA -0.118 4.396 4.527 -0.022 0.000 0.298 180 F C 3.004 178.791 175.800 -0.022 0.000 1.090 180 F CA 1.146 59.055 58.000 -0.152 0.000 1.323 180 F CB -1.707 37.073 39.000 -0.366 0.000 1.028 180 F HN 0.206 nan 8.300 nan 0.000 0.492 181 S N 0.039 115.889 115.700 0.250 0.000 2.382 181 S HA -0.255 4.205 4.470 -0.018 0.000 0.228 181 S C 2.118 176.889 174.600 0.284 0.000 1.027 181 S CA 1.510 59.856 58.200 0.243 0.000 0.991 181 S CB -1.290 62.054 63.200 0.241 0.000 0.823 181 S HN 0.647 nan 8.310 nan 0.000 0.469 182 H N 2.477 121.651 119.070 0.173 0.000 2.423 182 H HA 0.093 4.638 4.556 -0.018 0.000 0.297 182 H C 1.991 177.457 175.328 0.230 0.000 1.075 182 H CA 1.328 57.481 56.048 0.176 0.000 1.342 182 H CB -0.674 29.138 29.762 0.083 0.000 1.395 182 H HN 0.438 nan 8.280 nan 0.000 0.530 183 L N 0.851 121.907 121.223 -0.279 0.000 2.012 183 L HA -0.185 4.144 4.340 -0.018 0.000 0.210 183 L C 2.423 179.295 176.870 0.003 0.000 1.073 183 L CA 1.656 56.378 54.840 -0.197 0.000 0.748 183 L CB -0.500 41.455 42.059 -0.173 0.000 0.891 183 L HN 0.197 nan 8.230 nan 0.000 0.431 184 D N -0.758 119.684 120.400 0.070 0.000 2.117 184 D HA -0.231 4.399 4.640 -0.018 0.000 0.197 184 D C 1.754 178.146 176.300 0.152 0.000 0.987 184 D CA 1.154 55.209 54.000 0.092 0.000 0.829 184 D CB -0.283 40.583 40.800 0.109 0.000 0.961 184 D HN 0.431 nan 8.370 nan 0.000 0.460 185 W N 1.866 123.197 121.300 0.052 0.000 2.318 185 W HA -0.258 4.391 4.660 -0.019 0.000 0.313 185 W C 2.230 178.816 176.519 0.113 0.000 1.221 185 W CA 2.432 59.830 57.345 0.088 0.000 1.266 185 W CB -0.418 29.105 29.460 0.105 0.000 1.150 185 W HN -0.136 nan 8.180 nan 0.000 0.496 186 T N 0.355 115.132 114.554 0.372 0.000 2.684 186 T HA -0.322 4.018 4.350 -0.018 0.000 0.267 186 T C 1.406 176.117 174.700 0.017 0.000 1.036 186 T CA 1.842 64.054 62.100 0.187 0.000 1.148 186 T CB -0.799 68.174 68.868 0.175 0.000 0.863 186 T HN 0.284 nan 8.240 nan 0.000 0.436 187 N N 1.527 120.230 118.700 0.005 0.000 2.120 187 N HA -0.114 4.616 4.740 -0.018 0.000 0.188 187 N C 1.712 177.187 175.510 -0.058 0.000 1.024 187 N CA 1.295 54.327 53.050 -0.031 0.000 0.852 187 N CB -0.344 38.127 38.487 -0.026 0.000 1.003 187 N HN 0.201 nan 8.380 nan 0.000 0.424 188 N N -0.225 118.423 118.700 -0.086 0.000 2.166 188 N HA -0.151 4.579 4.740 -0.018 0.000 0.186 188 N C 1.448 176.832 175.510 -0.209 0.000 1.019 188 N CA 0.641 53.603 53.050 -0.146 0.000 0.856 188 N CB -0.626 37.765 38.487 -0.161 0.000 0.993 188 N HN 0.301 nan 8.380 nan 0.000 0.426 189 F N 1.639 121.323 119.950 -0.443 0.000 2.065 189 F HA -0.229 4.287 4.527 -0.018 0.000 0.298 189 F C 2.752 178.494 175.800 -0.096 0.000 1.112 189 F CA 1.600 59.356 58.000 -0.405 0.000 1.212 189 F CB -0.584 37.981 39.000 -0.726 0.000 0.975 189 F HN -0.028 nan 8.300 nan 0.000 0.476 190 S N -0.157 115.618 115.700 0.125 0.000 2.368 190 S HA -0.139 4.321 4.470 -0.018 0.000 0.225 190 S C 2.027 176.625 174.600 -0.003 0.000 1.030 190 S CA 1.181 59.422 58.200 0.069 0.000 0.999 190 S CB -0.523 62.639 63.200 -0.064 0.000 0.844 190 S HN 0.256 nan 8.310 nan 0.000 0.459 191 L N 2.149 123.333 121.223 -0.064 0.000 2.017 191 L HA -0.038 4.291 4.340 -0.018 0.000 0.208 191 L C 2.755 179.544 176.870 -0.136 0.000 1.073 191 L CA 2.027 56.818 54.840 -0.083 0.000 0.745 191 L CB -1.556 40.449 42.059 -0.090 0.000 0.894 191 L HN 0.478 nan 8.230 nan 0.000 0.432 192 V N -3.380 116.388 119.914 -0.242 0.000 2.626 192 V HA -0.192 3.918 4.120 -0.018 0.000 0.252 192 V C 1.659 177.455 176.094 -0.498 0.000 1.067 192 V CA 1.323 63.390 62.300 -0.388 0.000 1.081 192 V CB -1.246 30.267 31.823 -0.517 0.000 0.686 192 V HN 0.515 nan 8.190 nan 0.000 0.468 193 H N 1.497 120.427 119.070 -0.233 0.000 2.567 193 H HA 0.538 5.084 4.556 -0.018 0.000 0.294 193 H C 1.599 176.956 175.328 0.048 0.000 1.050 193 H CA 0.367 56.335 56.048 -0.133 0.000 1.168 193 H CB -0.174 29.514 29.762 -0.123 0.000 1.422 193 H HN 0.650 nan 8.280 nan 0.000 0.562 194 G N 1.745 110.588 108.800 0.070 0.000 2.225 194 G HA2 -0.373 3.577 3.960 -0.018 0.000 0.264 194 G HA3 -0.373 3.577 3.960 -0.018 0.000 0.264 194 G C -0.241 174.809 174.900 0.250 0.000 1.060 194 G CA 0.283 45.458 45.100 0.125 0.000 0.833 194 G HN 0.821 nan 8.290 nan 0.000 0.498 195 N N -2.256 116.563 118.700 0.198 0.000 2.552 195 N HA -0.154 4.575 4.740 -0.018 0.000 0.276 195 N C 0.862 176.532 175.510 0.266 0.000 1.526 195 N CA 0.332 53.517 53.050 0.224 0.000 1.048 195 N CB -0.643 38.035 38.487 0.320 0.000 0.866 195 N HN 0.520 nan 8.380 nan 0.000 0.477 196 L N 4.292 125.505 121.223 -0.016 0.000 2.456 196 L HA 0.122 4.452 4.340 -0.018 0.000 0.224 196 L C 1.522 178.201 176.870 -0.318 0.000 1.148 196 L CA 1.309 55.995 54.840 -0.257 0.000 0.825 196 L CB -0.344 41.399 42.059 -0.527 0.000 0.937 196 L HN 0.649 nan 8.230 nan 0.000 0.450 197 F N -1.547 118.383 119.950 -0.034 0.000 2.236 197 F HA -0.248 4.268 4.527 -0.018 0.000 0.302 197 F C 1.763 177.477 175.800 -0.143 0.000 1.073 197 F CA 1.236 59.233 58.000 -0.006 0.000 1.336 197 F CB -0.941 38.061 39.000 0.004 0.000 1.040 197 F HN 0.143 nan 8.300 nan 0.000 0.507 198 Y N -1.330 119.142 120.300 0.287 0.000 2.466 198 Y HA 0.081 4.621 4.550 -0.018 0.000 0.272 198 Y C 0.989 176.997 175.900 0.179 0.000 1.169 198 Y CA -0.381 57.889 58.100 0.283 0.000 1.285 198 Y CB -0.342 38.347 38.460 0.383 0.000 1.078 198 Y HN -0.172 nan 8.280 nan 0.000 0.523 199 N N 2.706 121.333 118.700 -0.121 0.000 2.399 199 N HA 0.011 4.741 4.740 -0.018 0.000 0.259 199 N C -1.799 173.493 175.510 -0.363 0.000 1.160 199 N CA -1.822 50.732 53.050 -0.827 0.000 0.946 199 N CB 1.060 38.724 38.487 -1.372 0.000 1.156 199 N HN 0.047 nan 8.380 nan 0.000 0.489 200 P HA -0.114 nan 4.420 nan 0.000 0.218 200 P C 1.093 178.223 177.300 -0.283 0.000 1.149 200 P CA 1.112 64.099 63.100 -0.188 0.000 0.817 200 P CB 0.001 31.627 31.700 -0.124 0.000 0.785 201 F N -0.727 119.122 119.950 -0.168 0.000 2.293 201 F HA -0.124 4.392 4.527 -0.018 0.000 0.300 201 F C 2.824 178.592 175.800 -0.054 0.000 1.086 201 F CA 1.128 59.084 58.000 -0.073 0.000 1.375 201 F CB -1.224 37.737 39.000 -0.065 0.000 1.045 201 F HN 0.110 nan 8.300 nan 0.000 0.516 202 H N -0.151 118.881 119.070 -0.064 0.000 2.395 202 H HA -0.046 4.499 4.556 -0.018 0.000 0.299 202 H C 2.365 177.655 175.328 -0.062 0.000 1.070 202 H CA 1.425 57.428 56.048 -0.074 0.000 1.356 202 H CB -0.328 29.345 29.762 -0.148 0.000 1.401 202 H HN 0.325 nan 8.280 nan 0.000 0.524 203 G N 0.776 109.544 108.800 -0.054 0.000 2.421 203 G HA2 -0.137 3.812 3.960 -0.018 0.000 0.217 203 G HA3 -0.137 3.812 3.960 -0.018 0.000 0.217 203 G C 1.999 176.776 174.900 -0.205 0.000 1.143 203 G CA 0.335 45.359 45.100 -0.125 0.000 0.784 203 G HN 0.314 nan 8.290 nan 0.000 0.541 204 L N 0.417 121.543 121.223 -0.161 0.000 2.027 204 L HA -0.059 4.271 4.340 -0.018 0.000 0.206 204 L C 3.093 179.920 176.870 -0.071 0.000 1.074 204 L CA 1.221 55.954 54.840 -0.178 0.000 0.745 204 L CB -0.456 41.609 42.059 0.010 0.000 0.898 204 L HN 0.315 nan 8.230 nan 0.000 0.433 205 S N 0.104 115.838 115.700 0.056 0.000 2.374 205 S HA -0.210 4.250 4.470 -0.018 0.000 0.227 205 S C 1.938 176.484 174.600 -0.089 0.000 1.037 205 S CA 1.451 59.702 58.200 0.086 0.000 1.024 205 S CB -0.239 62.961 63.200 -0.001 0.000 0.861 205 S HN 0.279 nan 8.310 nan 0.000 0.456 206 I N 1.160 121.545 120.570 -0.310 0.000 2.233 206 I HA -0.116 4.043 4.170 -0.018 0.000 0.243 206 I C 2.767 178.572 176.117 -0.522 0.000 1.093 206 I CA 0.956 61.949 61.300 -0.512 0.000 1.380 206 I CB -0.591 37.037 38.000 -0.619 0.000 1.067 206 I HN 0.361 nan 8.210 nan 0.000 0.413 207 A N 0.963 123.531 122.820 -0.420 0.000 1.958 207 A HA -0.254 4.056 4.320 -0.018 0.000 0.221 207 A C 1.996 179.415 177.584 -0.275 0.000 1.178 207 A CA 1.964 53.781 52.037 -0.367 0.000 0.642 207 A CB -0.984 17.708 19.000 -0.514 0.000 0.816 207 A HN 0.392 nan 8.150 nan 0.000 0.453 208 F N -1.397 118.546 119.950 -0.010 0.000 2.293 208 F HA 0.064 4.581 4.527 -0.018 0.000 0.297 208 F C 1.921 177.755 175.800 0.058 0.000 1.089 208 F CA 0.719 58.751 58.000 0.052 0.000 1.377 208 F CB -0.617 38.428 39.000 0.074 0.000 1.051 208 F HN 0.226 nan 8.300 nan 0.000 0.511 209 L N -0.910 120.397 121.223 0.140 0.000 2.044 209 L HA -0.184 4.146 4.340 -0.018 0.000 0.205 209 L C 2.256 179.264 176.870 0.228 0.000 1.075 209 L CA 1.853 56.772 54.840 0.132 0.000 0.747 209 L CB -1.028 41.052 42.059 0.035 0.000 0.903 209 L HN 0.024 nan 8.230 nan 0.000 0.435 210 Y N 0.182 120.524 120.300 0.070 0.000 2.145 210 Y HA -0.076 4.463 4.550 -0.018 0.000 0.286 210 Y C 2.596 178.538 175.900 0.071 0.000 1.145 210 Y CA 0.874 59.007 58.100 0.055 0.000 1.148 210 Y CB -1.674 36.798 38.460 0.019 0.000 0.981 210 Y HN 0.254 nan 8.280 nan 0.000 0.507 211 G N -1.161 107.781 108.800 0.237 0.000 2.462 211 G HA2 -0.217 3.733 3.960 -0.018 0.000 0.220 211 G HA3 -0.217 3.733 3.960 -0.018 0.000 0.220 211 G C 1.922 176.933 174.900 0.187 0.000 1.121 211 G CA 1.212 46.423 45.100 0.184 0.000 0.758 211 G HN 0.396 nan 8.290 nan 0.000 0.559 212 S N 0.845 116.672 115.700 0.213 0.000 2.368 212 S HA 0.025 4.485 4.470 -0.018 0.000 0.224 212 S C 2.751 177.478 174.600 0.212 0.000 1.029 212 S CA 1.129 59.445 58.200 0.194 0.000 0.988 212 S CB -0.255 63.062 63.200 0.194 0.000 0.838 212 S HN 0.578 nan 8.310 nan 0.000 0.462 213 A N 1.297 124.241 122.820 0.206 0.000 1.897 213 A HA 0.068 4.377 4.320 -0.018 0.000 0.215 213 A C 2.076 179.755 177.584 0.158 0.000 1.181 213 A CA 1.020 53.170 52.037 0.189 0.000 0.620 213 A CB -0.681 18.412 19.000 0.155 0.000 0.821 213 A HN 0.402 nan 8.150 nan 0.000 0.443 214 L N -0.568 120.732 121.223 0.129 0.000 1.971 214 L HA -0.182 4.147 4.340 -0.018 0.000 0.215 214 L C 2.244 179.160 176.870 0.076 0.000 1.072 214 L CA 2.327 57.219 54.840 0.087 0.000 0.758 214 L CB -0.654 41.444 42.059 0.065 0.000 0.889 214 L HN 0.317 nan 8.230 nan 0.000 0.433 215 L N -1.620 119.647 121.223 0.073 0.000 2.056 215 L HA -0.167 4.163 4.340 -0.018 0.000 0.207 215 L C 2.258 179.220 176.870 0.154 0.000 1.078 215 L CA 1.681 56.536 54.840 0.025 0.000 0.749 215 L CB -0.916 41.139 42.059 -0.006 0.000 0.901 215 L HN 0.307 nan 8.230 nan 0.000 0.433 216 F N -0.018 119.971 119.950 0.065 0.000 2.259 216 F HA -0.006 4.510 4.527 -0.018 0.000 0.298 216 F C 2.392 178.239 175.800 0.078 0.000 1.088 216 F CA 0.624 58.682 58.000 0.097 0.000 1.358 216 F CB -0.997 38.062 39.000 0.097 0.000 1.040 216 F HN 0.178 nan 8.300 nan 0.000 0.505 217 A N -0.003 122.963 122.820 0.243 0.000 1.883 217 A HA -0.245 4.064 4.320 -0.018 0.000 0.217 217 A C 2.355 180.025 177.584 0.144 0.000 1.186 217 A CA 1.944 54.057 52.037 0.127 0.000 0.624 217 A CB -0.775 18.281 19.000 0.093 0.000 0.822 217 A HN 0.371 nan 8.150 nan 0.000 0.444 218 M N -2.026 117.667 119.600 0.155 0.000 2.065 218 M HA -0.197 4.272 4.480 -0.018 0.000 0.259 218 M C 2.307 178.739 176.300 0.219 0.000 1.069 218 M CA 2.217 57.626 55.300 0.181 0.000 1.110 218 M CB -0.434 32.114 32.600 -0.086 0.000 1.328 218 M HN 0.722 nan 8.290 nan 0.000 0.405 219 H N -0.417 118.703 119.070 0.083 0.000 2.372 219 H HA 0.033 4.578 4.556 -0.018 0.000 0.301 219 H C 1.928 177.348 175.328 0.154 0.000 1.065 219 H CA 1.948 58.051 56.048 0.091 0.000 1.364 219 H CB -0.570 29.216 29.762 0.040 0.000 1.406 219 H HN 0.306 nan 8.280 nan 0.000 0.521 220 G N 0.092 108.983 108.800 0.151 0.000 2.440 220 G HA2 -0.292 3.657 3.960 -0.018 0.000 0.218 220 G HA3 -0.292 3.657 3.960 -0.018 0.000 0.218 220 G C 1.885 176.724 174.900 -0.101 0.000 1.154 220 G CA 1.098 46.176 45.100 -0.038 0.000 0.767 220 G HN 0.602 nan 8.290 nan 0.000 0.552 221 A N 0.010 122.804 122.820 -0.044 0.000 1.930 221 A HA 0.049 4.358 4.320 -0.018 0.000 0.217 221 A C 2.528 180.044 177.584 -0.113 0.000 1.175 221 A CA 2.320 54.309 52.037 -0.080 0.000 0.627 221 A CB -0.788 18.186 19.000 -0.043 0.000 0.815 221 A HN 0.294 nan 8.150 nan 0.000 0.443 222 T N 0.472 114.993 114.554 -0.055 0.000 2.708 222 T HA -0.092 4.248 4.350 -0.018 0.000 0.266 222 T C 1.766 176.412 174.700 -0.090 0.000 1.037 222 T CA 1.423 63.487 62.100 -0.059 0.000 1.146 222 T CB -0.236 68.734 68.868 0.170 0.000 0.865 222 T HN 0.284 nan 8.240 nan 0.000 0.435 223 I N 1.150 121.634 120.570 -0.143 0.000 2.286 223 I HA -0.018 4.141 4.170 -0.018 0.000 0.245 223 I C 2.314 178.364 176.117 -0.112 0.000 1.104 223 I CA 1.048 62.270 61.300 -0.130 0.000 1.397 223 I CB -1.261 36.612 38.000 -0.212 0.000 1.072 223 I HN 0.277 nan 8.210 nan 0.000 0.417 224 L N 0.692 121.828 121.223 -0.145 0.000 2.046 224 L HA -0.178 4.152 4.340 -0.018 0.000 0.208 224 L C 2.833 179.612 176.870 -0.152 0.000 1.077 224 L CA 1.379 56.123 54.840 -0.160 0.000 0.747 224 L CB -0.932 41.011 42.059 -0.192 0.000 0.896 224 L HN 0.166 nan 8.230 nan 0.000 0.432 225 A N 0.350 123.084 122.820 -0.143 0.000 1.948 225 A HA -0.174 4.135 4.320 -0.018 0.000 0.220 225 A C 1.992 179.543 177.584 -0.055 0.000 1.177 225 A CA 2.177 54.137 52.037 -0.128 0.000 0.636 225 A CB -0.809 18.081 19.000 -0.184 0.000 0.815 225 A HN 0.391 nan 8.150 nan 0.000 0.449 226 V N -1.804 118.111 119.914 0.001 0.000 3.342 226 V HA 0.143 4.252 4.120 -0.018 0.000 0.322 226 V C 1.622 177.756 176.094 0.067 0.000 1.370 226 V CA 0.907 63.309 62.300 0.170 0.000 1.170 226 V CB -0.748 31.226 31.823 0.252 0.000 1.101 226 V HN 0.584 nan 8.190 nan 0.000 0.442 227 S N 2.392 118.052 115.700 -0.068 0.000 2.423 227 S HA -0.250 4.210 4.470 -0.018 0.000 0.231 227 S C 2.003 176.506 174.600 -0.162 0.000 1.014 227 S CA 1.257 59.404 58.200 -0.089 0.000 0.965 227 S CB -0.762 62.373 63.200 -0.109 0.000 0.785 227 S HN 0.856 nan 8.310 nan 0.000 0.495 228 R N 0.641 120.943 120.500 -0.330 0.000 2.316 228 R HA -0.075 4.255 4.340 -0.018 0.000 0.232 228 R C 0.290 176.191 176.300 -0.666 0.000 1.137 228 R CA 1.400 57.181 56.100 -0.531 0.000 1.012 228 R CB -0.755 29.122 30.300 -0.705 0.000 0.859 228 R HN 0.574 nan 8.270 nan 0.000 0.474 229 F N -0.320 119.623 119.950 -0.012 0.000 2.735 229 F HA 0.457 4.974 4.527 -0.018 0.000 0.308 229 F C 1.163 176.959 175.800 -0.006 0.000 1.112 229 F CA -0.335 57.661 58.000 -0.007 0.000 1.235 229 F CB 1.118 40.112 39.000 -0.010 0.000 1.027 229 F HN 0.166 nan 8.300 nan 0.000 0.528 230 G N 0.656 109.502 108.800 0.077 0.000 2.160 230 G HA2 -0.268 3.682 3.960 -0.018 0.000 0.244 230 G HA3 -0.268 3.682 3.960 -0.018 0.000 0.244 230 G C 1.393 176.335 174.900 0.070 0.000 1.022 230 G CA 0.212 45.347 45.100 0.059 0.000 0.741 230 G HN 0.694 nan 8.290 nan 0.000 0.508 231 G N 0.833 109.684 108.800 0.086 0.000 2.448 231 G HA2 -0.052 3.898 3.960 -0.018 0.000 0.219 231 G HA3 -0.052 3.898 3.960 -0.018 0.000 0.219 231 G C 1.437 176.368 174.900 0.052 0.000 1.127 231 G CA 1.461 46.611 45.100 0.083 0.000 0.766 231 G HN 0.867 nan 8.290 nan 0.000 0.552 232 E N 1.046 121.258 120.200 0.021 0.000 2.478 232 E HA -0.071 4.269 4.350 -0.018 0.000 0.198 232 E C 0.885 177.497 176.600 0.021 0.000 1.046 232 E CA -0.004 56.404 56.400 0.013 0.000 0.870 232 E CB -0.207 29.481 29.700 -0.020 0.000 0.818 232 E HN 0.295 nan 8.360 nan 0.000 0.527 233 R N 1.643 122.158 120.500 0.024 0.000 3.710 233 R HA 0.127 4.457 4.340 -0.018 0.000 0.201 233 R C 0.784 177.098 176.300 0.023 0.000 1.641 233 R CA -0.016 56.095 56.100 0.017 0.000 1.390 233 R CB 0.089 30.398 30.300 0.016 0.000 1.341 233 R HN 0.261 nan 8.270 nan 0.000 0.728 234 E N 0.799 121.013 120.200 0.024 0.000 2.106 234 E HA -0.188 4.152 4.350 -0.018 0.000 0.192 234 E C 1.325 177.928 176.600 0.005 0.000 0.984 234 E CA 0.981 57.404 56.400 0.039 0.000 0.806 234 E CB 0.066 29.801 29.700 0.059 0.000 0.750 234 E HN 0.478 nan 8.360 nan 0.000 0.458 235 L N 1.014 122.220 121.223 -0.028 0.000 2.046 235 L HA -0.165 4.164 4.340 -0.018 0.000 0.208 235 L C 2.465 179.326 176.870 -0.014 0.000 1.077 235 L CA 1.013 55.831 54.840 -0.037 0.000 0.747 235 L CB -0.280 41.749 42.059 -0.050 0.000 0.896 235 L HN 0.097 nan 8.230 nan 0.000 0.432 236 E N -0.314 119.884 120.200 -0.004 0.000 2.285 236 E HA -0.140 4.199 4.350 -0.018 0.000 0.194 236 E C 2.185 178.793 176.600 0.013 0.000 0.997 236 E CA 0.523 56.925 56.400 0.004 0.000 0.845 236 E CB 0.145 29.849 29.700 0.006 0.000 0.782 236 E HN 0.500 nan 8.360 nan 0.000 0.491 237 Q N 0.060 119.874 119.800 0.023 0.000 2.230 237 Q HA -0.040 4.289 4.340 -0.018 0.000 0.202 237 Q C 2.271 178.289 176.000 0.031 0.000 0.963 237 Q CA 0.581 56.404 55.803 0.033 0.000 0.866 237 Q CB 0.067 28.835 28.738 0.051 0.000 0.931 237 Q HN 0.391 nan 8.270 nan 0.000 0.452 238 I N 0.448 121.034 120.570 0.027 0.000 2.233 238 I HA -0.204 3.955 4.170 -0.018 0.000 0.243 238 I C 2.292 178.416 176.117 0.013 0.000 1.093 238 I CA 0.976 62.290 61.300 0.023 0.000 1.380 238 I CB -0.337 37.669 38.000 0.010 0.000 1.067 238 I HN 0.033 nan 8.210 nan 0.000 0.413 239 A N -0.699 122.123 122.820 0.005 0.000 2.015 239 A HA -0.180 4.129 4.320 -0.018 0.000 0.219 239 A C 0.806 178.393 177.584 0.006 0.000 1.163 239 A CA 1.634 53.672 52.037 0.002 0.000 0.646 239 A CB -0.135 18.863 19.000 -0.003 0.000 0.806 239 A HN 0.451 nan 8.150 nan 0.000 0.448 240 D N -1.493 118.913 120.400 0.010 0.000 2.826 240 D HA 0.094 4.723 4.640 -0.018 0.000 0.239 240 D C -0.407 175.900 176.300 0.012 0.000 1.329 240 D CA -0.436 53.569 54.000 0.010 0.000 0.854 240 D CB -0.184 40.620 40.800 0.008 0.000 1.494 240 D HN 0.238 nan 8.370 nan 0.000 0.540 241 R N 1.001 121.508 120.500 0.013 0.000 2.474 241 R HA 0.280 4.609 4.340 -0.018 0.000 0.290 241 R C 0.339 176.640 176.300 0.002 0.000 0.918 241 R CA 0.956 57.063 56.100 0.011 0.000 1.130 241 R CB 0.203 30.509 30.300 0.010 0.000 0.881 241 R HN 0.388 nan 8.270 nan 0.000 0.416 242 G N 0.853 109.653 108.800 0.000 0.000 2.735 242 G HA2 0.107 4.056 3.960 -0.018 0.000 0.301 242 G HA3 0.107 4.056 3.960 -0.018 0.000 0.301 242 G C 0.453 175.321 174.900 -0.054 0.000 1.279 242 G CA -0.296 44.797 45.100 -0.011 0.000 1.019 242 G HN 0.564 nan 8.290 nan 0.000 0.497 243 T N -0.378 114.115 114.554 -0.102 0.000 2.881 243 T HA -0.045 4.295 4.350 -0.018 0.000 0.270 243 T C 2.576 177.089 174.700 -0.312 0.000 1.068 243 T CA 2.316 64.277 62.100 -0.231 0.000 1.131 243 T CB -0.534 68.138 68.868 -0.326 0.000 0.871 243 T HN 0.667 nan 8.240 nan 0.000 0.479 244 A N 1.183 123.906 122.820 -0.162 0.000 1.873 244 A HA 0.090 4.400 4.320 -0.018 0.000 0.218 244 A C 2.721 180.287 177.584 -0.030 0.000 1.193 244 A CA 2.196 54.216 52.037 -0.028 0.000 0.629 244 A CB -1.393 17.694 19.000 0.145 0.000 0.826 244 A HN 0.651 nan 8.150 nan 0.000 0.447 245 A N -0.615 122.200 122.820 -0.009 0.000 1.969 245 A HA -0.124 4.185 4.320 -0.018 0.000 0.218 245 A C 1.926 179.498 177.584 -0.020 0.000 1.169 245 A CA 1.543 53.589 52.037 0.015 0.000 0.635 245 A CB -0.455 18.563 19.000 0.030 0.000 0.810 245 A HN 0.665 nan 8.150 nan 0.000 0.445 246 E N -0.412 119.746 120.200 -0.071 0.000 2.072 246 E HA -0.142 4.198 4.350 -0.018 0.000 0.190 246 E C 2.288 178.794 176.600 -0.156 0.000 0.982 246 E CA 0.922 57.263 56.400 -0.099 0.000 0.803 246 E CB -0.159 29.476 29.700 -0.108 0.000 0.755 246 E HN 0.547 nan 8.360 nan 0.000 0.453 247 R N 0.575 120.957 120.500 -0.196 0.000 2.115 247 R HA -0.017 4.313 4.340 -0.018 0.000 0.226 247 R C 2.340 178.554 176.300 -0.144 0.000 1.100 247 R CA 0.920 56.885 56.100 -0.226 0.000 0.980 247 R CB -0.198 29.943 30.300 -0.264 0.000 0.875 247 R HN 0.078 nan 8.270 nan 0.000 0.445 248 A N 1.486 124.272 122.820 -0.057 0.000 1.873 248 A HA -0.088 4.222 4.320 -0.018 0.000 0.215 248 A C 2.400 180.051 177.584 0.111 0.000 1.186 248 A CA 1.600 53.660 52.037 0.039 0.000 0.616 248 A CB -0.692 18.362 19.000 0.090 0.000 0.823 248 A HN 0.363 nan 8.150 nan 0.000 0.442 249 A N -0.199 122.651 122.820 0.050 0.000 1.883 249 A HA -0.087 4.222 4.320 -0.018 0.000 0.217 249 A C 2.184 179.723 177.584 -0.074 0.000 1.186 249 A CA 1.629 53.694 52.037 0.047 0.000 0.624 249 A CB -0.686 18.320 19.000 0.010 0.000 0.822 249 A HN 0.477 nan 8.150 nan 0.000 0.444 250 L N -2.104 118.953 121.223 -0.276 0.000 2.093 250 L HA -0.131 4.198 4.340 -0.018 0.000 0.208 250 L C 2.443 178.847 176.870 -0.777 0.000 1.085 250 L CA 1.406 55.828 54.840 -0.697 0.000 0.755 250 L CB -0.589 40.858 42.059 -1.019 0.000 0.904 250 L HN 0.520 nan 8.230 nan 0.000 0.435 251 F N 0.198 119.788 119.950 -0.600 0.000 2.063 251 F HA -0.305 4.212 4.527 -0.018 0.000 0.298 251 F C 2.024 177.505 175.800 -0.532 0.000 1.109 251 F CA 1.880 59.544 58.000 -0.561 0.000 1.212 251 F CB -0.411 38.216 39.000 -0.623 0.000 0.973 251 F HN -0.020 nan 8.300 nan 0.000 0.480 252 W N 0.292 121.591 121.300 -0.002 0.000 2.418 252 W HA -0.008 4.641 4.660 -0.018 0.000 0.292 252 W C 2.776 179.173 176.519 -0.203 0.000 1.213 252 W CA 1.128 58.410 57.345 -0.106 0.000 1.283 252 W CB -0.518 28.871 29.460 -0.120 0.000 1.119 252 W HN -0.101 nan 8.180 nan 0.000 0.542 253 R N -0.256 120.247 120.500 0.006 0.000 2.081 253 R HA -0.190 4.140 4.340 -0.018 0.000 0.235 253 R C 1.881 178.276 176.300 0.158 0.000 1.131 253 R CA 1.987 58.117 56.100 0.049 0.000 0.960 253 R CB -0.622 29.686 30.300 0.015 0.000 0.856 253 R HN 0.138 nan 8.270 nan 0.000 0.436 254 W N 0.173 121.398 121.300 -0.125 0.000 2.436 254 W HA 0.055 4.704 4.660 -0.018 0.000 0.284 254 W C 2.113 178.499 176.519 -0.222 0.000 1.225 254 W CA 0.764 58.010 57.345 -0.164 0.000 1.271 254 W CB -1.023 28.315 29.460 -0.204 0.000 1.114 254 W HN 0.105 nan 8.180 nan 0.000 0.559 255 T N 0.956 115.425 114.554 -0.142 0.000 2.698 255 T HA -0.144 4.196 4.350 -0.018 0.000 0.260 255 T C 1.699 176.402 174.700 0.005 0.000 1.044 255 T CA 2.002 63.978 62.100 -0.206 0.000 1.149 255 T CB -0.314 68.243 68.868 -0.518 0.000 0.864 255 T HN 0.211 nan 8.240 nan 0.000 0.419 256 M N -0.920 118.731 119.600 0.086 0.000 2.306 256 M HA 0.582 5.051 4.480 -0.018 0.000 0.292 256 M C 1.354 177.791 176.300 0.227 0.000 1.018 256 M CA 0.399 55.790 55.300 0.151 0.000 1.007 256 M CB 1.058 33.755 32.600 0.162 0.000 1.510 256 M HN 0.338 nan 8.290 nan 0.000 0.537 257 G N 2.048 110.968 108.800 0.200 0.000 2.241 257 G HA2 -0.265 3.685 3.960 -0.018 0.000 0.244 257 G HA3 -0.265 3.685 3.960 -0.018 0.000 0.244 257 G C -0.140 174.984 174.900 0.374 0.000 0.998 257 G CA 0.408 45.667 45.100 0.265 0.000 0.621 257 G HN 0.800 nan 8.290 nan 0.000 0.519 258 F N 0.325 120.332 119.950 0.094 0.000 2.754 258 F HA 0.798 5.314 4.527 -0.018 0.000 0.320 258 F C -0.754 175.102 175.800 0.092 0.000 1.156 258 F CA -1.242 56.808 58.000 0.084 0.000 0.950 258 F CB 0.761 39.800 39.000 0.065 0.000 1.388 258 F HN 0.471 nan 8.300 nan 0.000 0.485 259 N N 0.750 119.447 118.700 -0.004 0.000 3.020 259 N HA 0.681 5.410 4.740 -0.018 0.000 0.248 259 N C -1.873 173.662 175.510 0.042 0.000 1.480 259 N CA -0.674 52.319 53.050 -0.096 0.000 0.874 259 N CB 1.876 40.380 38.487 0.028 0.000 1.433 259 N HN 1.089 nan 8.380 nan 0.000 0.530 260 A N -0.055 122.770 122.820 0.008 0.000 2.352 260 A HA 0.819 5.128 4.320 -0.018 0.000 0.299 260 A C 0.129 177.773 177.584 0.101 0.000 1.160 260 A CA -0.206 51.893 52.037 0.104 0.000 0.933 260 A CB 0.671 19.692 19.000 0.035 0.000 1.387 260 A HN 0.857 nan 8.150 nan 0.000 0.487 261 T N -3.317 111.306 114.554 0.115 0.000 2.949 261 T HA 0.439 4.778 4.350 -0.018 0.000 0.287 261 T C 0.910 175.671 174.700 0.102 0.000 1.034 261 T CA -0.208 61.949 62.100 0.095 0.000 1.018 261 T CB 0.941 69.862 68.868 0.088 0.000 1.135 261 T HN 0.436 nan 8.240 nan 0.000 0.532 262 M N 0.496 120.163 119.600 0.112 0.000 2.108 262 M HA -0.023 4.446 4.480 -0.018 0.000 0.261 262 M C 2.121 178.564 176.300 0.238 0.000 1.066 262 M CA 1.821 57.220 55.300 0.165 0.000 1.107 262 M CB -1.019 31.661 32.600 0.133 0.000 1.356 262 M HN 0.930 nan 8.290 nan 0.000 0.406 263 E N -1.516 118.782 120.200 0.163 0.000 2.051 263 E HA -0.086 4.254 4.350 -0.018 0.000 0.189 263 E C 1.941 178.642 176.600 0.169 0.000 0.979 263 E CA 1.124 57.624 56.400 0.166 0.000 0.803 263 E CB -0.526 29.214 29.700 0.067 0.000 0.761 263 E HN 0.583 nan 8.360 nan 0.000 0.451 264 G N 1.209 110.078 108.800 0.115 0.000 2.443 264 G HA2 -0.230 3.719 3.960 -0.018 0.000 0.219 264 G HA3 -0.230 3.719 3.960 -0.018 0.000 0.219 264 G C 1.511 176.503 174.900 0.153 0.000 1.131 264 G CA 0.563 45.726 45.100 0.104 0.000 0.775 264 G HN 0.316 nan 8.290 nan 0.000 0.547 265 I N 0.971 121.586 120.570 0.074 0.000 2.315 265 I HA -0.177 3.982 4.170 -0.018 0.000 0.251 265 I C 2.295 178.212 176.117 -0.334 0.000 1.125 265 I CA 1.202 62.431 61.300 -0.118 0.000 1.392 265 I CB -0.304 37.463 38.000 -0.388 0.000 1.065 265 I HN 0.310 nan 8.210 nan 0.000 0.424 266 H N -0.582 118.445 119.070 -0.071 0.000 2.524 266 H HA 0.066 4.611 4.556 -0.018 0.000 0.282 266 H C 2.232 177.538 175.328 -0.036 0.000 1.016 266 H CA 0.912 56.900 56.048 -0.101 0.000 1.270 266 H CB -0.110 29.585 29.762 -0.112 0.000 1.394 266 H HN 0.305 nan 8.280 nan 0.000 0.568 267 R N -0.549 119.999 120.500 0.079 0.000 2.080 267 R HA -0.082 4.248 4.340 -0.018 0.000 0.222 267 R C 1.521 177.934 176.300 0.188 0.000 1.107 267 R CA 1.068 57.231 56.100 0.106 0.000 0.980 267 R CB -0.307 30.016 30.300 0.038 0.000 0.879 267 R HN 0.357 nan 8.270 nan 0.000 0.439 268 W N 1.314 122.656 121.300 0.070 0.000 2.318 268 W HA -0.233 4.417 4.660 -0.018 0.000 0.313 268 W C 2.588 179.131 176.519 0.040 0.000 1.221 268 W CA 1.344 58.724 57.345 0.058 0.000 1.266 268 W CB -0.318 29.117 29.460 -0.041 0.000 1.150 268 W HN 0.200 nan 8.180 nan 0.000 0.496 269 A N -0.024 122.889 122.820 0.155 0.000 1.858 269 A HA -0.202 4.108 4.320 -0.018 0.000 0.216 269 A C 1.915 179.517 177.584 0.029 0.000 1.190 269 A CA 1.730 53.761 52.037 -0.009 0.000 0.617 269 A CB -1.031 17.831 19.000 -0.231 0.000 0.827 269 A HN 0.351 nan 8.150 nan 0.000 0.443 270 I N -2.055 118.535 120.570 0.035 0.000 2.226 270 I HA -0.263 3.896 4.170 -0.018 0.000 0.245 270 I C 2.311 178.427 176.117 -0.001 0.000 1.100 270 I CA 1.384 62.684 61.300 -0.000 0.000 1.374 270 I CB -0.107 37.875 38.000 -0.031 0.000 1.057 270 I HN 0.617 nan 8.210 nan 0.000 0.413 271 W N -0.131 121.236 121.300 0.112 0.000 2.381 271 W HA -0.231 4.418 4.660 -0.018 0.000 0.301 271 W C 2.480 178.986 176.519 -0.021 0.000 1.205 271 W CA 0.871 58.254 57.345 0.063 0.000 1.285 271 W CB -0.359 29.109 29.460 0.013 0.000 1.133 271 W HN 0.142 nan 8.180 nan 0.000 0.521 272 M N 1.006 120.779 119.600 0.289 0.000 2.080 272 M HA -0.175 4.295 4.480 -0.018 0.000 0.260 272 M C 2.111 178.494 176.300 0.138 0.000 1.068 272 M CA 2.499 57.940 55.300 0.235 0.000 1.109 272 M CB -0.906 31.852 32.600 0.264 0.000 1.342 272 M HN -0.031 nan 8.290 nan 0.000 0.405 273 A N -1.243 121.636 122.820 0.099 0.000 1.873 273 A HA -0.072 4.238 4.320 -0.018 0.000 0.215 273 A C 2.199 179.796 177.584 0.022 0.000 1.186 273 A CA 1.808 53.887 52.037 0.070 0.000 0.616 273 A CB -1.274 17.752 19.000 0.043 0.000 0.823 273 A HN 0.365 nan 8.150 nan 0.000 0.442 274 V N 0.336 120.228 119.914 -0.037 0.000 2.392 274 V HA -0.268 3.842 4.120 -0.018 0.000 0.249 274 V C 2.520 178.559 176.094 -0.092 0.000 1.059 274 V CA 2.007 64.227 62.300 -0.133 0.000 1.051 274 V CB -0.705 30.905 31.823 -0.355 0.000 0.658 274 V HN 0.575 nan 8.190 nan 0.000 0.455 275 L N -0.847 120.304 121.223 -0.119 0.000 2.265 275 L HA -0.142 4.188 4.340 -0.018 0.000 0.215 275 L C 2.357 179.185 176.870 -0.070 0.000 1.117 275 L CA 0.669 55.344 54.840 -0.276 0.000 0.782 275 L CB -0.653 40.794 42.059 -1.020 0.000 0.914 275 L HN 0.208 nan 8.230 nan 0.000 0.441 276 V N 0.112 120.062 119.914 0.060 0.000 2.231 276 V HA -0.330 3.779 4.120 -0.018 0.000 0.248 276 V C 2.598 178.779 176.094 0.146 0.000 1.054 276 V CA 2.667 65.069 62.300 0.169 0.000 1.015 276 V CB -0.972 30.937 31.823 0.144 0.000 0.638 276 V HN 0.675 nan 8.190 nan 0.000 0.444 277 T N -2.103 112.523 114.554 0.119 0.000 3.067 277 T HA 0.015 4.355 4.350 -0.018 0.000 0.257 277 T C 1.733 176.594 174.700 0.269 0.000 1.105 277 T CA 0.816 63.009 62.100 0.154 0.000 1.104 277 T CB -0.036 68.912 68.868 0.133 0.000 0.925 277 T HN 0.228 nan 8.240 nan 0.000 0.498 278 L N 2.986 124.325 121.223 0.194 0.000 1.988 278 L HA 0.006 4.336 4.340 -0.018 0.000 0.207 278 L C 2.764 179.808 176.870 0.290 0.000 1.071 278 L CA 2.537 57.494 54.840 0.194 0.000 0.744 278 L CB -1.326 40.737 42.059 0.006 0.000 0.893 278 L HN 0.485 nan 8.230 nan 0.000 0.433 279 T N -3.387 111.328 114.554 0.269 0.000 2.777 279 T HA -0.056 4.284 4.350 -0.018 0.000 0.266 279 T C 2.002 176.884 174.700 0.304 0.000 1.040 279 T CA 0.862 63.195 62.100 0.388 0.000 1.141 279 T CB -1.579 67.583 68.868 0.489 0.000 0.868 279 T HN 0.389 nan 8.240 nan 0.000 0.444 280 G N 1.569 110.506 108.800 0.227 0.000 2.476 280 G HA2 -0.033 3.916 3.960 -0.018 0.000 0.218 280 G HA3 -0.033 3.916 3.960 -0.018 0.000 0.218 280 G C 1.761 176.699 174.900 0.063 0.000 1.164 280 G CA 0.824 46.003 45.100 0.132 0.000 0.768 280 G HN 0.680 nan 8.290 nan 0.000 0.560 281 G N 0.837 109.691 108.800 0.091 0.000 2.442 281 G HA2 -0.165 3.784 3.960 -0.018 0.000 0.219 281 G HA3 -0.165 3.784 3.960 -0.018 0.000 0.219 281 G C 1.788 176.643 174.900 -0.076 0.000 1.141 281 G CA 0.855 45.822 45.100 -0.222 0.000 0.763 281 G HN 0.466 nan 8.290 nan 0.000 0.554 282 I N 1.134 121.804 120.570 0.167 0.000 2.179 282 I HA -0.077 4.083 4.170 -0.018 0.000 0.242 282 I C 3.094 179.040 176.117 -0.284 0.000 1.088 282 I CA 1.047 62.280 61.300 -0.112 0.000 1.357 282 I CB -0.491 37.193 38.000 -0.526 0.000 1.051 282 I HN 0.243 nan 8.210 nan 0.000 0.409 283 G N 1.338 110.024 108.800 -0.188 0.000 2.418 283 G HA2 -0.187 3.762 3.960 -0.018 0.000 0.217 283 G HA3 -0.187 3.762 3.960 -0.018 0.000 0.217 283 G C 1.580 176.479 174.900 -0.001 0.000 1.158 283 G CA 0.443 45.506 45.100 -0.062 0.000 0.771 283 G HN 0.156 nan 8.290 nan 0.000 0.545 284 I N 0.550 121.099 120.570 -0.036 0.000 2.202 284 I HA -0.061 4.098 4.170 -0.018 0.000 0.242 284 I C 2.645 178.785 176.117 0.038 0.000 1.091 284 I CA 0.572 61.858 61.300 -0.022 0.000 1.368 284 I CB -1.216 36.687 38.000 -0.162 0.000 1.058 284 I HN 0.130 nan 8.210 nan 0.000 0.410 285 L N 0.812 122.004 121.223 -0.052 0.000 2.043 285 L HA -0.177 4.153 4.340 -0.018 0.000 0.212 285 L C 2.291 179.180 176.870 0.033 0.000 1.075 285 L CA 1.827 56.644 54.840 -0.039 0.000 0.752 285 L CB -0.621 41.400 42.059 -0.064 0.000 0.891 285 L HN 0.151 nan 8.230 nan 0.000 0.432 286 L N -1.156 120.109 121.223 0.070 0.000 2.376 286 L HA -0.019 4.310 4.340 -0.018 0.000 0.219 286 L C 0.810 177.766 176.870 0.144 0.000 1.133 286 L CA -0.041 54.873 54.840 0.123 0.000 0.816 286 L CB -0.427 41.761 42.059 0.216 0.000 0.933 286 L HN 0.077 nan 8.230 nan 0.000 0.449 287 S N 0.131 115.945 115.700 0.189 0.000 2.448 287 S HA 0.408 4.868 4.470 -0.018 0.000 0.279 287 S C 1.108 175.646 174.600 -0.102 0.000 1.195 287 S CA 0.322 58.552 58.200 0.050 0.000 1.051 287 S CB 1.088 64.282 63.200 -0.010 0.000 0.948 287 S HN 0.543 nan 8.310 nan 0.000 0.493 288 G N 3.178 111.978 108.800 0.000 0.000 2.320 288 G HA2 -0.381 3.569 3.960 -0.018 0.000 0.242 288 G HA3 -0.381 3.569 3.960 -0.018 0.000 0.242 288 G C 1.162 176.067 174.900 0.008 0.000 1.033 288 G CA 0.966 46.125 45.100 0.098 0.000 0.620 288 G HN 0.836 nan 8.290 nan 0.000 0.517 289 T N -2.102 112.452 114.554 -0.000 0.000 2.896 289 T HA 0.348 4.688 4.350 -0.018 0.000 0.263 289 T C 2.073 176.759 174.700 -0.024 0.000 1.050 289 T CA 2.349 64.444 62.100 -0.008 0.000 1.140 289 T CB 0.158 69.029 68.868 0.006 0.000 0.877 289 T HN 0.752 nan 8.240 nan 0.000 0.457 290 V N -0.271 119.613 119.914 -0.050 0.000 3.103 290 V HA 0.381 4.491 4.120 -0.018 0.000 0.229 290 V C 0.312 176.310 176.094 -0.159 0.000 1.304 290 V CA -0.196 62.066 62.300 -0.063 0.000 1.298 290 V CB 1.089 32.898 31.823 -0.024 0.000 1.093 290 V HN 0.303 nan 8.190 nan 0.000 0.489 291 V N 1.447 121.161 119.914 -0.334 0.000 2.409 291 V HA 0.422 4.532 4.120 -0.018 0.000 0.291 291 V C 0.252 176.064 176.094 -0.471 0.000 1.020 291 V CA -0.334 61.603 62.300 -0.604 0.000 0.848 291 V CB 1.648 32.539 31.823 -1.554 0.000 0.990 291 V HN 0.324 nan 8.190 nan 0.000 0.430 292 D N 2.429 122.654 120.400 -0.292 0.000 2.305 292 D HA 0.037 4.667 4.640 -0.018 0.000 0.206 292 D C 0.493 176.678 176.300 -0.193 0.000 0.974 292 D CA 0.819 54.712 54.000 -0.178 0.000 0.871 292 D CB 0.521 41.241 40.800 -0.133 0.000 0.947 292 D HN 0.491 nan 8.370 nan 0.000 0.516 293 N N -0.423 118.130 118.700 -0.244 0.000 2.594 293 N HA 0.011 4.741 4.740 -0.018 0.000 0.280 293 N C -0.119 175.389 175.510 -0.002 0.000 1.156 293 N CA -0.362 52.640 53.050 -0.080 0.000 0.831 293 N CB 0.512 39.000 38.487 0.002 0.000 1.379 293 N HN -0.098 nan 8.380 nan 0.000 0.536 294 W N 1.732 123.158 121.300 0.210 0.000 2.409 294 W HA -0.071 4.578 4.660 -0.018 0.000 0.299 294 W C 1.856 178.602 176.519 0.378 0.000 1.203 294 W CA 0.535 58.047 57.345 0.277 0.000 1.298 294 W CB -0.228 29.372 29.460 0.234 0.000 1.127 294 W HN 0.661 nan 8.180 nan 0.000 0.528 295 Y N 0.567 121.098 120.300 0.385 0.000 2.145 295 Y HA -0.315 4.225 4.550 -0.017 0.000 0.286 295 Y C 2.297 178.263 175.900 0.111 0.000 1.145 295 Y CA 2.293 60.453 58.100 0.100 0.000 1.148 295 Y CB -0.723 37.639 38.460 -0.165 0.000 0.981 295 Y HN -0.262 nan 8.280 nan 0.000 0.507 296 V N -0.539 119.559 119.914 0.307 0.000 2.295 296 V HA -0.337 3.773 4.120 -0.018 0.000 0.246 296 V C 2.067 178.253 176.094 0.153 0.000 1.049 296 V CA 2.093 64.506 62.300 0.188 0.000 1.024 296 V CB -1.161 30.752 31.823 0.149 0.000 0.648 296 V HN 0.757 nan 8.190 nan 0.000 0.447 297 W N 1.346 122.660 121.300 0.023 0.000 2.321 297 W HA -0.181 4.469 4.660 -0.018 0.000 0.306 297 W C 2.290 178.859 176.519 0.083 0.000 1.217 297 W CA 2.114 59.480 57.345 0.036 0.000 1.257 297 W CB -0.694 28.747 29.460 -0.031 0.000 1.145 297 W HN 0.253 nan 8.180 nan 0.000 0.509 298 G N -0.062 108.946 108.800 0.347 0.000 2.446 298 G HA2 -0.321 3.629 3.960 -0.018 0.000 0.217 298 G HA3 -0.321 3.629 3.960 -0.018 0.000 0.217 298 G C 1.374 176.195 174.900 -0.132 0.000 1.168 298 G CA 1.251 46.422 45.100 0.119 0.000 0.771 298 G HN 0.311 nan 8.290 nan 0.000 0.551 299 Q N 0.649 120.346 119.800 -0.171 0.000 2.124 299 Q HA -0.054 4.276 4.340 -0.018 0.000 0.202 299 Q C 1.947 177.873 176.000 -0.124 0.000 0.977 299 Q CA 1.382 57.093 55.803 -0.153 0.000 0.850 299 Q CB -0.425 28.237 28.738 -0.127 0.000 0.901 299 Q HN 0.636 nan 8.270 nan 0.000 0.429 300 N N -0.712 117.906 118.700 -0.137 0.000 2.333 300 N HA -0.019 4.711 4.740 -0.018 0.000 0.234 300 N C 0.570 175.986 175.510 -0.157 0.000 1.035 300 N CA -0.131 52.847 53.050 -0.120 0.000 1.171 300 N CB -0.243 38.200 38.487 -0.073 0.000 1.503 300 N HN 0.080 nan 8.380 nan 0.000 0.624 301 H N 0.000 118.836 119.070 -0.389 0.000 2.539 301 H HA 0.000 4.545 4.556 -0.018 0.000 0.296 301 H CA 0.000 55.755 56.048 -0.488 0.000 1.023 301 H CB 0.000 29.567 29.762 -0.326 0.000 1.292 301 H HN 0.000 nan 8.280 nan 0.000 0.496