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 1gwj_1_A DATA FIRST_RESID 4 DATA SEQUENCE TSFSNPGLFT PLQLGSLSLP NRVIMAPLTR SRTPDSVPGR LQQIYYGQRA DATA SEQUENCE SAGLIISEAT NISPTARGYV YTPGIWTDAQ EAGWKGVVEA VHAKGGRIAL DATA SEQUENCE QLWHVGRVSH ELVQPDGQQP VAPSALKAEG AECFVEFEDG TAGLHPTSTP DATA SEQUENCE RALETDGIPG IVEDYRQAAQ RAKRAGFDMV EVHAANACLP NQFLATGTNR DATA SEQUENCE RTDQYGGSIE NRARFPLEVV DAVAEVFGPE RVGIRLTPFL ELFGLTDDEP DATA SEQUENCE EAMAFYLAGE LDRRGLAYLH FNEPDWIGGD ITYPEGFREQ MRQRFKGGLI DATA SEQUENCE YCGNYDAGRA QARLDDNTAD AVAFGRPFIA NPDLPERFRL GAALNEPDPS DATA SEQUENCE TFYGGAEVGY TDYPFLDNGH DRLG 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 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.712 174.700 0.020 0.000 1.109 4 T CA 0.000 62.111 62.100 0.019 0.000 1.349 4 T CB 0.000 68.872 68.868 0.007 0.000 0.612 5 S N 1.871 117.599 115.700 0.047 0.000 2.344 5 S HA 0.065 4.535 4.470 -0.001 0.000 0.217 5 S C 0.713 175.364 174.600 0.086 0.000 1.033 5 S CA 0.353 58.587 58.200 0.056 0.000 1.017 5 S CB -0.779 62.459 63.200 0.065 0.000 0.941 5 S HN 0.390 nan 8.310 nan 0.000 0.430 6 F N 4.737 124.679 119.950 -0.013 0.000 2.494 6 F HA 0.455 4.981 4.527 -0.001 0.000 0.369 6 F C 0.722 176.516 175.800 -0.010 0.000 1.098 6 F CA -0.830 57.163 58.000 -0.012 0.000 1.154 6 F CB 0.121 39.113 39.000 -0.013 0.000 1.103 6 F HN 0.435 nan 8.300 nan 0.000 0.549 7 S N 4.598 119.919 115.700 -0.632 0.000 2.566 7 S HA 0.404 4.873 4.470 -0.001 0.000 0.277 7 S C -0.108 173.878 174.600 -1.024 0.000 1.150 7 S CA -0.878 56.966 58.200 -0.594 0.000 1.032 7 S CB 0.603 63.625 63.200 -0.297 0.000 1.157 7 S HN 0.673 nan 8.310 nan 0.000 0.507 8 N N 2.777 121.154 118.700 -0.540 0.000 3.012 8 N HA 0.333 5.072 4.740 -0.001 0.000 0.270 8 N C -2.585 172.796 175.510 -0.215 0.000 1.469 8 N CA -0.882 51.925 53.050 -0.406 0.000 0.928 8 N CB 0.721 39.079 38.487 -0.215 0.000 1.219 8 N HN 0.564 nan 8.380 nan 0.000 0.492 9 P HA 0.156 nan 4.420 nan 0.000 0.269 9 P C 0.276 177.539 177.300 -0.062 0.000 1.209 9 P CA 0.009 63.057 63.100 -0.087 0.000 0.776 9 P CB 1.337 33.012 31.700 -0.043 0.000 0.876 10 G N 0.707 109.464 108.800 -0.072 0.000 2.735 10 G HA2 0.360 4.320 3.960 -0.001 0.000 0.301 10 G HA3 0.360 4.320 3.960 -0.001 0.000 0.301 10 G C 0.464 175.228 174.900 -0.227 0.000 1.279 10 G CA -0.734 44.291 45.100 -0.125 0.000 1.019 10 G HN 0.334 nan 8.290 nan 0.000 0.497 11 L N -0.801 120.138 121.223 -0.475 0.000 2.265 11 L HA 0.119 4.458 4.340 -0.001 0.000 0.215 11 L C 1.520 177.980 176.870 -0.683 0.000 1.117 11 L CA 1.310 55.749 54.840 -0.668 0.000 0.782 11 L CB -0.629 40.828 42.059 -1.003 0.000 0.914 11 L HN 0.475 nan 8.230 nan 0.000 0.441 12 F N -2.289 117.684 119.950 0.037 0.000 2.708 12 F HA 0.277 4.804 4.527 -0.001 0.000 0.300 12 F C 0.864 176.675 175.800 0.018 0.000 1.118 12 F CA -0.774 57.244 58.000 0.031 0.000 1.307 12 F CB -1.047 37.967 39.000 0.024 0.000 0.986 12 F HN -0.283 nan 8.300 nan 0.000 0.522 13 T N 3.163 117.748 114.554 0.052 0.000 2.743 13 T HA 0.278 4.627 4.350 -0.001 0.000 0.293 13 T C -2.374 172.346 174.700 0.033 0.000 0.945 13 T CA -1.422 60.701 62.100 0.038 0.000 1.030 13 T CB 1.136 70.000 68.868 -0.006 0.000 0.912 13 T HN -0.200 nan 8.240 nan 0.000 0.483 14 P HA 0.184 nan 4.420 nan 0.000 0.267 14 P C -0.960 176.350 177.300 0.018 0.000 1.201 14 P CA -0.420 62.699 63.100 0.031 0.000 0.775 14 P CB 0.433 32.148 31.700 0.026 0.000 0.854 15 L N 2.021 123.254 121.223 0.017 0.000 2.431 15 L HA 0.351 4.690 4.340 -0.001 0.000 0.266 15 L C -1.062 175.817 176.870 0.015 0.000 0.978 15 L CA -0.460 54.389 54.840 0.014 0.000 0.822 15 L CB 2.016 44.080 42.059 0.009 0.000 1.310 15 L HN 0.129 nan 8.230 nan 0.000 0.409 16 Q N 4.269 124.080 119.800 0.018 0.000 2.389 16 Q HA 0.324 4.664 4.340 -0.001 0.000 0.244 16 Q C -1.089 174.930 176.000 0.032 0.000 1.056 16 Q CA -0.163 55.653 55.803 0.021 0.000 0.908 16 Q CB 1.242 29.990 28.738 0.016 0.000 1.273 16 Q HN 0.593 nan 8.270 nan 0.000 0.471 17 L N 3.234 124.481 121.223 0.040 0.000 2.314 17 L HA 0.438 4.778 4.340 -0.001 0.000 0.275 17 L C 0.744 177.669 176.870 0.092 0.000 1.068 17 L CA 0.852 55.734 54.840 0.070 0.000 0.894 17 L CB 0.274 42.361 42.059 0.046 0.000 1.275 17 L HN 0.808 nan 8.230 nan 0.000 0.432 18 G N 3.189 112.039 108.800 0.084 0.000 2.536 18 G HA2 -0.351 3.609 3.960 -0.001 0.000 0.280 18 G HA3 -0.351 3.609 3.960 -0.001 0.000 0.280 18 G C 0.531 175.458 174.900 0.045 0.000 1.152 18 G CA 0.316 45.455 45.100 0.066 0.000 0.970 18 G HN 1.164 nan 8.290 nan 0.000 0.549 19 S N -0.337 115.391 115.700 0.048 0.000 2.572 19 S HA 0.597 5.066 4.470 -0.001 0.000 0.228 19 S C 0.284 174.907 174.600 0.038 0.000 0.963 19 S CA 0.871 59.093 58.200 0.036 0.000 0.939 19 S CB 0.539 63.760 63.200 0.035 0.000 0.804 19 S HN 1.354 nan 8.310 nan 0.000 0.480 20 L N 2.163 123.414 121.223 0.047 0.000 2.322 20 L HA 0.613 4.953 4.340 -0.001 0.000 0.281 20 L C -0.655 176.232 176.870 0.030 0.000 1.014 20 L CA -0.203 54.662 54.840 0.042 0.000 0.815 20 L CB 1.870 43.965 42.059 0.059 0.000 1.247 20 L HN 0.065 nan 8.230 nan 0.000 0.421 21 S N 5.959 121.670 115.700 0.019 0.000 2.465 21 S HA 0.576 5.045 4.470 -0.001 0.000 0.279 21 S C -0.312 174.298 174.600 0.016 0.000 1.201 21 S CA -0.481 57.728 58.200 0.015 0.000 1.053 21 S CB 0.246 63.451 63.200 0.009 0.000 0.953 21 S HN 0.485 nan 8.310 nan 0.000 0.488 22 L N 5.431 126.665 121.223 0.017 0.000 2.322 22 L HA 0.404 4.743 4.340 -0.001 0.000 0.279 22 L C -1.317 175.571 176.870 0.031 0.000 1.036 22 L CA -2.173 52.679 54.840 0.020 0.000 0.807 22 L CB 1.410 43.475 42.059 0.011 0.000 1.226 22 L HN 0.388 nan 8.230 nan 0.000 0.433 23 P HA -0.064 nan 4.420 nan 0.000 0.220 23 P C -0.505 176.846 177.300 0.084 0.000 1.152 23 P CA 1.026 64.159 63.100 0.056 0.000 0.812 23 P CB 0.362 32.096 31.700 0.056 0.000 0.792 24 N N -1.138 117.617 118.700 0.091 0.000 3.204 24 N HA 0.240 4.980 4.740 -0.001 0.000 0.285 24 N C -0.351 175.202 175.510 0.072 0.000 1.536 24 N CA -0.796 52.322 53.050 0.114 0.000 0.832 24 N CB 1.081 39.695 38.487 0.211 0.000 1.645 24 N HN -0.279 nan 8.380 nan 0.000 0.586 25 R N -0.180 120.350 120.500 0.050 0.000 2.586 25 R HA 0.321 4.660 4.340 -0.001 0.000 0.336 25 R C -0.577 175.788 176.300 0.109 0.000 1.060 25 R CA -0.168 55.953 56.100 0.035 0.000 1.079 25 R CB 0.531 30.824 30.300 -0.012 0.000 1.317 25 R HN 0.261 nan 8.270 nan 0.000 0.568 26 V N 3.018 123.044 119.914 0.186 0.000 2.270 26 V HA 0.211 4.331 4.120 -0.001 0.000 0.263 26 V C 0.082 176.426 176.094 0.417 0.000 1.066 26 V CA -0.474 62.034 62.300 0.346 0.000 0.857 26 V CB 0.517 32.490 31.823 0.251 0.000 1.099 26 V HN 0.174 nan 8.190 nan 0.000 0.476 27 I N 4.221 125.003 120.570 0.352 0.000 2.532 27 I HA 0.318 4.487 4.170 -0.001 0.000 0.292 27 I C 0.268 176.527 176.117 0.237 0.000 1.014 27 I CA -0.375 61.025 61.300 0.167 0.000 1.340 27 I CB 1.426 39.379 38.000 -0.078 0.000 1.422 27 I HN 0.572 nan 8.210 nan 0.000 0.528 28 M N 5.471 124.973 119.600 -0.165 0.000 2.077 28 M HA 0.472 4.952 4.480 -0.001 0.000 0.348 28 M C 0.023 176.250 176.300 -0.122 0.000 1.252 28 M CA -0.390 54.664 55.300 -0.410 0.000 1.096 28 M CB 0.640 32.646 32.600 -0.991 0.000 1.568 28 M HN 0.712 nan 8.290 nan 0.000 0.456 29 A N 7.609 130.451 122.820 0.037 0.000 2.425 29 A HA 0.500 4.819 4.320 -0.001 0.000 0.242 29 A C -2.450 175.146 177.584 0.021 0.000 1.077 29 A CA -1.181 50.899 52.037 0.072 0.000 0.781 29 A CB -0.583 18.486 19.000 0.114 0.000 1.020 29 A HN 0.657 nan 8.150 nan 0.000 0.494 30 P HA 0.269 nan 4.420 nan 0.000 0.267 30 P C -1.197 176.072 177.300 -0.051 0.000 1.205 30 P CA 0.529 63.604 63.100 -0.041 0.000 0.765 30 P CB 0.344 31.958 31.700 -0.144 0.000 0.828 31 L N 2.962 124.185 121.223 -0.001 0.000 2.446 31 L HA 0.291 4.631 4.340 -0.001 0.000 0.268 31 L C 0.470 177.338 176.870 -0.003 0.000 0.975 31 L CA -0.451 54.371 54.840 -0.029 0.000 0.848 31 L CB 1.875 43.915 42.059 -0.032 0.000 1.225 31 L HN 0.183 nan 8.230 nan 0.000 0.410 32 T N 2.822 117.352 114.554 -0.040 0.000 2.888 32 T HA 0.204 4.553 4.350 -0.001 0.000 0.301 32 T C 0.946 175.664 174.700 0.029 0.000 1.001 32 T CA -0.229 61.895 62.100 0.040 0.000 1.147 32 T CB 0.717 69.625 68.868 0.066 0.000 0.931 32 T HN 0.440 nan 8.240 nan 0.000 0.541 33 R N 1.064 121.604 120.500 0.067 0.000 2.469 33 R HA 0.223 4.563 4.340 -0.001 0.000 0.250 33 R C 0.677 177.007 176.300 0.051 0.000 0.909 33 R CA -0.213 55.859 56.100 -0.046 0.000 1.050 33 R CB -0.232 29.999 30.300 -0.114 0.000 1.256 33 R HN 0.690 nan 8.270 nan 0.000 0.550 34 S N 1.919 117.751 115.700 0.220 0.000 3.477 34 S HA -0.142 4.327 4.470 -0.001 0.000 0.371 34 S C 0.669 175.355 174.600 0.144 0.000 0.965 34 S CA 0.579 58.984 58.200 0.343 0.000 1.239 34 S CB -0.639 62.929 63.200 0.613 0.000 0.918 34 S HN 0.242 nan 8.310 nan 0.000 0.498 35 R N 0.400 120.858 120.500 -0.070 0.000 2.507 35 R HA 0.135 4.474 4.340 -0.001 0.000 0.298 35 R C 0.668 176.875 176.300 -0.154 0.000 0.999 35 R CA 0.441 56.361 56.100 -0.300 0.000 1.082 35 R CB 0.168 29.929 30.300 -0.898 0.000 1.246 35 R HN 0.659 nan 8.270 nan 0.000 0.553 36 T N -2.585 111.968 114.554 -0.001 0.000 3.150 36 T HA 0.333 4.683 4.350 -0.001 0.000 0.383 36 T C -2.298 172.458 174.700 0.093 0.000 1.313 36 T CA -1.952 60.156 62.100 0.014 0.000 1.235 36 T CB 2.262 71.138 68.868 0.013 0.000 1.088 36 T HN -0.229 nan 8.240 nan 0.000 0.556 37 P HA -0.171 nan 4.420 nan 0.000 0.217 37 P C 0.304 177.704 177.300 0.167 0.000 1.162 37 P CA 1.581 64.713 63.100 0.053 0.000 0.901 37 P CB -0.067 31.581 31.700 -0.088 0.000 0.793 38 D N -2.313 118.127 120.400 0.067 0.000 2.253 38 D HA 0.154 4.794 4.640 -0.001 0.000 0.249 38 D C 0.562 176.884 176.300 0.035 0.000 1.049 38 D CA -0.634 53.394 54.000 0.048 0.000 0.929 38 D CB 0.223 41.024 40.800 0.002 0.000 1.176 38 D HN -0.095 nan 8.370 nan 0.000 0.437 39 S N -0.109 115.602 115.700 0.017 0.000 2.723 39 S HA 0.050 4.520 4.470 -0.001 0.000 0.231 39 S C 0.405 174.953 174.600 -0.087 0.000 0.967 39 S CA -0.550 57.649 58.200 -0.001 0.000 0.958 39 S CB -0.800 62.367 63.200 -0.056 0.000 0.778 39 S HN 0.362 nan 8.310 nan 0.000 0.537 40 V N 3.115 122.965 119.914 -0.107 0.000 2.333 40 V HA 0.379 4.499 4.120 -0.001 0.000 0.274 40 V C -2.433 173.533 176.094 -0.212 0.000 1.028 40 V CA -2.220 59.979 62.300 -0.169 0.000 0.851 40 V CB 0.786 32.535 31.823 -0.122 0.000 1.000 40 V HN 0.157 nan 8.190 nan 0.000 0.456 41 P HA 0.298 nan 4.420 nan 0.000 0.268 41 P C 0.356 177.533 177.300 -0.205 0.000 1.204 41 P CA 0.531 63.398 63.100 -0.389 0.000 0.768 41 P CB 0.917 32.107 31.700 -0.850 0.000 0.842 42 G N 1.701 110.440 108.800 -0.102 0.000 3.262 42 G HA2 0.259 4.219 3.960 -0.001 0.000 0.229 42 G HA3 0.259 4.219 3.960 -0.001 0.000 0.229 42 G C 0.692 175.593 174.900 0.002 0.000 1.280 42 G CA -0.561 44.510 45.100 -0.047 0.000 0.951 42 G HN 0.371 nan 8.290 nan 0.000 0.589 43 R N -1.167 119.342 120.500 0.015 0.000 2.105 43 R HA -0.073 4.267 4.340 -0.001 0.000 0.239 43 R C 2.432 178.777 176.300 0.075 0.000 1.135 43 R CA 1.672 57.795 56.100 0.039 0.000 0.967 43 R CB -0.486 29.832 30.300 0.031 0.000 0.861 43 R HN 0.314 nan 8.270 nan 0.000 0.442 44 L N 0.980 122.255 121.223 0.086 0.000 2.081 44 L HA -0.203 4.136 4.340 -0.001 0.000 0.212 44 L C 1.920 178.920 176.870 0.218 0.000 1.080 44 L CA 1.832 56.764 54.840 0.155 0.000 0.754 44 L CB -0.320 41.835 42.059 0.161 0.000 0.893 44 L HN 0.219 nan 8.230 nan 0.000 0.433 45 Q N -0.985 118.935 119.800 0.200 0.000 2.172 45 Q HA -0.141 4.199 4.340 -0.001 0.000 0.200 45 Q C 2.225 178.396 176.000 0.286 0.000 0.964 45 Q CA 1.309 57.274 55.803 0.270 0.000 0.855 45 Q CB -0.242 28.649 28.738 0.255 0.000 0.918 45 Q HN 0.591 nan 8.270 nan 0.000 0.444 46 Q N -0.330 119.578 119.800 0.180 0.000 2.124 46 Q HA -0.115 4.224 4.340 -0.001 0.000 0.202 46 Q C 1.835 177.910 176.000 0.126 0.000 0.977 46 Q CA 1.076 56.964 55.803 0.142 0.000 0.850 46 Q CB -0.049 28.736 28.738 0.078 0.000 0.901 46 Q HN 0.428 nan 8.270 nan 0.000 0.429 47 I N -0.823 119.814 120.570 0.112 0.000 2.277 47 I HA -0.229 3.941 4.170 -0.001 0.000 0.243 47 I C 2.189 178.340 176.117 0.057 0.000 1.094 47 I CA 0.738 62.091 61.300 0.088 0.000 1.393 47 I CB -0.262 37.791 38.000 0.089 0.000 1.078 47 I HN 0.176 nan 8.210 nan 0.000 0.417 48 Y N 1.276 121.464 120.300 -0.186 0.000 2.097 48 Y HA -0.336 4.213 4.550 -0.001 0.000 0.282 48 Y C 2.392 178.106 175.900 -0.311 0.000 1.152 48 Y CA 1.672 59.497 58.100 -0.457 0.000 1.136 48 Y CB -0.740 37.121 38.460 -0.997 0.000 0.975 48 Y HN 0.069 nan 8.280 nan 0.000 0.498 49 Y N -0.002 120.182 120.300 -0.193 0.000 2.293 49 Y HA -0.003 4.547 4.550 -0.001 0.000 0.291 49 Y C 2.724 178.532 175.900 -0.152 0.000 1.137 49 Y CA 1.231 59.176 58.100 -0.258 0.000 1.202 49 Y CB -1.045 37.394 38.460 -0.035 0.000 0.990 49 Y HN 0.231 nan 8.280 nan 0.000 0.537 50 G N -0.833 108.020 108.800 0.088 0.000 2.422 50 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.218 50 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.218 50 G C 1.468 176.419 174.900 0.084 0.000 1.140 50 G CA 0.491 45.636 45.100 0.075 0.000 0.775 50 G HN 0.377 nan 8.290 nan 0.000 0.545 51 Q N -0.352 119.499 119.800 0.084 0.000 2.224 51 Q HA 0.016 4.356 4.340 -0.001 0.000 0.203 51 Q C 1.758 177.871 176.000 0.187 0.000 0.970 51 Q CA 0.677 56.631 55.803 0.252 0.000 0.865 51 Q CB 0.061 28.895 28.738 0.160 0.000 0.922 51 Q HN 0.360 nan 8.270 nan 0.000 0.445 52 R N -0.740 119.760 120.500 0.001 0.000 2.609 52 R HA 0.278 4.618 4.340 -0.001 0.000 0.326 52 R C 1.121 177.424 176.300 0.004 0.000 1.090 52 R CA 0.073 56.172 56.100 -0.001 0.000 1.072 52 R CB 0.541 30.709 30.300 -0.219 0.000 1.330 52 R HN 0.054 nan 8.270 nan 0.000 0.572 53 A N 0.892 123.742 122.820 0.051 0.000 2.172 53 A HA -0.131 4.189 4.320 -0.001 0.000 0.216 53 A C 2.030 179.651 177.584 0.062 0.000 1.154 53 A CA 1.476 53.541 52.037 0.046 0.000 0.701 53 A CB -0.211 18.823 19.000 0.056 0.000 0.789 53 A HN 0.380 nan 8.150 nan 0.000 0.465 54 S N -0.028 115.731 115.700 0.099 0.000 2.515 54 S HA 0.341 4.810 4.470 -0.001 0.000 0.231 54 S C 1.066 175.751 174.600 0.142 0.000 0.987 54 S CA 0.340 58.607 58.200 0.111 0.000 0.936 54 S CB -0.752 62.520 63.200 0.120 0.000 0.766 54 S HN 0.945 nan 8.310 nan 0.000 0.528 55 A N 1.373 124.279 122.820 0.143 0.000 2.540 55 A HA 0.511 4.830 4.320 -0.001 0.000 0.239 55 A C 1.621 179.254 177.584 0.082 0.000 1.061 55 A CA 0.151 52.275 52.037 0.145 0.000 0.758 55 A CB -0.458 18.428 19.000 -0.190 0.000 0.991 55 A HN 0.475 nan 8.150 nan 0.000 0.502 56 G N 1.015 109.883 108.800 0.113 0.000 2.485 56 G HA2 0.110 4.069 3.960 -0.001 0.000 0.221 56 G HA3 0.110 4.069 3.960 -0.001 0.000 0.221 56 G C 0.463 175.372 174.900 0.014 0.000 1.115 56 G CA 1.293 46.433 45.100 0.066 0.000 0.751 56 G HN 1.021 nan 8.290 nan 0.000 0.567 57 L N -0.475 120.735 121.223 -0.021 0.000 2.735 57 L HA 0.409 4.748 4.340 -0.001 0.000 0.258 57 L C -1.754 175.046 176.870 -0.116 0.000 0.920 57 L CA -0.635 54.170 54.840 -0.059 0.000 0.958 57 L CB 1.582 43.589 42.059 -0.087 0.000 1.499 57 L HN -0.055 nan 8.230 nan 0.000 0.441 58 I N 5.397 125.903 120.570 -0.107 0.000 2.321 58 I HA 0.376 4.545 4.170 -0.001 0.000 0.291 58 I C 0.058 176.116 176.117 -0.098 0.000 0.998 58 I CA -0.398 60.814 61.300 -0.146 0.000 1.227 58 I CB 1.556 39.487 38.000 -0.113 0.000 1.368 58 I HN 0.415 nan 8.210 nan 0.000 0.466 59 I N 6.267 126.779 120.570 -0.097 0.000 2.304 59 I HA 0.139 4.309 4.170 -0.001 0.000 0.291 59 I C 0.932 177.037 176.117 -0.021 0.000 1.018 59 I CA -0.217 61.044 61.300 -0.065 0.000 1.260 59 I CB 1.202 39.177 38.000 -0.042 0.000 1.390 59 I HN 0.664 nan 8.210 nan 0.000 0.475 60 S N 5.746 121.419 115.700 -0.045 0.000 2.592 60 S HA 0.035 4.504 4.470 -0.001 0.000 0.256 60 S C 0.267 174.947 174.600 0.134 0.000 1.369 60 S CA -0.591 57.647 58.200 0.063 0.000 0.984 60 S CB 0.442 63.593 63.200 -0.081 0.000 0.919 60 S HN 0.683 nan 8.310 nan 0.000 0.576 61 E N 0.698 121.098 120.200 0.334 0.000 2.404 61 E HA 0.413 4.763 4.350 -0.001 0.000 0.261 61 E C 0.176 176.811 176.600 0.058 0.000 1.074 61 E CA -0.526 55.996 56.400 0.204 0.000 0.917 61 E CB 0.377 30.280 29.700 0.339 0.000 0.965 61 E HN 0.826 nan 8.360 nan 0.000 0.433 62 A N 2.951 125.649 122.820 -0.203 0.000 2.546 62 A HA 0.172 4.492 4.320 -0.001 0.000 0.243 62 A C -0.162 177.486 177.584 0.108 0.000 1.063 62 A CA 0.158 51.975 52.037 -0.367 0.000 0.757 62 A CB 0.004 18.093 19.000 -1.518 0.000 0.991 62 A HN 0.605 nan 8.150 nan 0.000 0.503 63 T N 3.810 118.546 114.554 0.303 0.000 2.812 63 T HA 0.286 4.635 4.350 -0.001 0.000 0.282 63 T C -0.228 174.776 174.700 0.506 0.000 0.990 63 T CA -0.774 61.600 62.100 0.458 0.000 0.960 63 T CB 0.821 69.854 68.868 0.274 0.000 0.948 63 T HN 0.679 nan 8.240 nan 0.000 0.438 64 N N 2.899 121.923 118.700 0.541 0.000 2.440 64 N HA 0.066 4.805 4.740 -0.001 0.000 0.265 64 N C 1.489 177.204 175.510 0.342 0.000 1.239 64 N CA -0.016 53.249 53.050 0.358 0.000 0.909 64 N CB 1.055 39.757 38.487 0.357 0.000 1.066 64 N HN 0.718 nan 8.380 nan 0.000 0.474 65 I N -0.716 119.895 120.570 0.069 0.000 3.428 65 I HA 0.010 4.179 4.170 -0.001 0.000 0.286 65 I C 0.380 176.471 176.117 -0.043 0.000 1.287 65 I CA 0.134 61.440 61.300 0.011 0.000 1.396 65 I CB 0.025 37.851 38.000 -0.290 0.000 1.062 65 I HN 0.358 nan 8.210 nan 0.000 0.471 66 S N -1.341 114.135 115.700 -0.374 0.000 2.627 66 S HA 0.440 4.909 4.470 -0.001 0.000 0.268 66 S C -2.593 171.154 174.600 -1.421 0.000 1.130 66 S CA -0.863 56.707 58.200 -1.051 0.000 0.819 66 S CB 1.295 64.108 63.200 -0.644 0.000 1.100 66 S HN -0.221 nan 8.310 nan 0.000 0.465 67 P HA 0.024 nan 4.420 nan 0.000 0.217 67 P C 1.334 178.317 177.300 -0.529 0.000 1.150 67 P CA 1.531 64.105 63.100 -0.876 0.000 0.832 67 P CB -0.172 31.193 31.700 -0.559 0.000 0.787 68 T N -1.029 113.219 114.554 -0.509 0.000 2.962 68 T HA -0.026 4.323 4.350 -0.001 0.000 0.270 68 T C 1.685 176.090 174.700 -0.492 0.000 1.088 68 T CA 1.281 63.154 62.100 -0.378 0.000 1.127 68 T CB -0.590 68.116 68.868 -0.271 0.000 0.883 68 T HN 0.043 nan 8.240 nan 0.000 0.493 69 A N 0.831 123.203 122.820 -0.746 0.000 2.208 69 A HA 0.208 4.527 4.320 -0.001 0.000 0.209 69 A C 1.279 178.482 177.584 -0.635 0.000 1.161 69 A CA -0.012 51.402 52.037 -1.038 0.000 0.782 69 A CB -0.229 18.111 19.000 -1.100 0.000 0.816 69 A HN 0.339 nan 8.150 nan 0.000 0.477 70 R N -0.484 119.743 120.500 -0.456 0.000 2.438 70 R HA 0.353 4.692 4.340 -0.001 0.000 0.287 70 R C 0.935 177.033 176.300 -0.336 0.000 1.077 70 R CA 0.690 56.579 56.100 -0.352 0.000 1.034 70 R CB 0.514 30.706 30.300 -0.180 0.000 0.993 70 R HN 0.162 nan 8.270 nan 0.000 0.459 71 G N 2.770 111.365 108.800 -0.340 0.000 2.989 71 G HA2 0.102 4.061 3.960 -0.001 0.000 0.221 71 G HA3 0.102 4.061 3.960 -0.001 0.000 0.221 71 G C -0.855 173.800 174.900 -0.408 0.000 1.050 71 G CA 0.035 44.934 45.100 -0.335 0.000 0.913 71 G HN 0.521 nan 8.290 nan 0.000 0.587 72 Y N 0.829 121.054 120.300 -0.126 0.000 2.386 72 Y HA 0.460 5.010 4.550 -0.001 0.000 0.334 72 Y C 0.333 176.229 175.900 -0.006 0.000 1.002 72 Y CA -1.402 56.738 58.100 0.067 0.000 1.068 72 Y CB 2.097 40.761 38.460 0.339 0.000 1.203 72 Y HN 0.075 nan 8.280 nan 0.000 0.443 73 V N 0.498 120.312 119.914 -0.166 0.000 3.096 73 V HA 0.129 4.248 4.120 -0.001 0.000 0.306 73 V C -0.229 175.715 176.094 -0.250 0.000 1.088 73 V CA -0.692 61.316 62.300 -0.487 0.000 1.129 73 V CB 0.021 31.130 31.823 -1.191 0.000 1.014 73 V HN 0.896 nan 8.190 nan 0.000 0.486 74 Y N -0.159 120.209 120.300 0.113 0.000 4.177 74 Y HA -0.179 4.370 4.550 -0.001 0.000 0.227 74 Y C 0.703 176.729 175.900 0.209 0.000 1.154 74 Y CA 0.763 58.952 58.100 0.148 0.000 1.887 74 Y CB -3.018 35.551 38.460 0.181 0.000 1.594 74 Y HN 0.903 nan 8.280 nan 0.000 0.668 75 T N 2.906 117.664 114.554 0.340 0.000 2.867 75 T HA 0.455 4.805 4.350 -0.001 0.000 0.282 75 T C -2.074 172.827 174.700 0.336 0.000 1.000 75 T CA -1.408 60.925 62.100 0.389 0.000 1.042 75 T CB 2.159 71.337 68.868 0.516 0.000 0.973 75 T HN -0.082 nan 8.240 nan 0.000 0.465 76 P HA 0.338 nan 4.420 nan 0.000 0.274 76 P C -0.224 177.326 177.300 0.416 0.000 1.231 76 P CA -0.235 63.059 63.100 0.322 0.000 0.790 76 P CB 0.818 32.750 31.700 0.387 0.000 0.951 77 G N 0.520 109.480 108.800 0.268 0.000 2.735 77 G HA2 0.593 4.552 3.960 -0.001 0.000 0.301 77 G HA3 0.593 4.552 3.960 -0.001 0.000 0.301 77 G C -1.078 173.980 174.900 0.262 0.000 1.279 77 G CA -0.571 44.647 45.100 0.196 0.000 1.019 77 G HN 0.461 nan 8.290 nan 0.000 0.497 78 I N -0.049 120.669 120.570 0.248 0.000 2.761 78 I HA 0.319 4.488 4.170 -0.001 0.000 0.321 78 I C -0.614 175.661 176.117 0.263 0.000 1.493 78 I CA -1.057 60.378 61.300 0.225 0.000 0.792 78 I CB 0.245 38.334 38.000 0.149 0.000 2.059 78 I HN 0.671 nan 8.210 nan 0.000 0.582 79 W N 1.145 122.506 121.300 0.102 0.000 2.304 79 W HA 0.631 5.290 4.660 -0.001 0.000 0.326 79 W C -0.628 175.931 176.519 0.067 0.000 0.920 79 W CA -0.357 57.024 57.345 0.061 0.000 1.518 79 W CB -0.219 29.255 29.460 0.023 0.000 1.112 79 W HN 0.028 nan 8.180 nan 0.000 0.528 80 T N 1.386 115.769 114.554 -0.284 0.000 2.893 80 T HA 0.116 4.466 4.350 -0.001 0.000 0.291 80 T C 0.540 175.193 174.700 -0.077 0.000 1.028 80 T CA -0.422 61.549 62.100 -0.215 0.000 0.995 80 T CB 2.530 71.146 68.868 -0.420 0.000 1.051 80 T HN -0.138 nan 8.240 nan 0.000 0.470 81 D N 1.612 121.999 120.400 -0.022 0.000 2.117 81 D HA -0.101 4.538 4.640 -0.001 0.000 0.197 81 D C 2.205 178.503 176.300 -0.003 0.000 0.987 81 D CA 1.217 55.223 54.000 0.009 0.000 0.829 81 D CB -0.086 40.724 40.800 0.017 0.000 0.961 81 D HN 0.619 nan 8.370 nan 0.000 0.460 82 A N 1.071 123.869 122.820 -0.038 0.000 1.908 82 A HA -0.263 4.057 4.320 -0.001 0.000 0.218 82 A C 2.166 179.720 177.584 -0.050 0.000 1.181 82 A CA 1.619 53.629 52.037 -0.044 0.000 0.627 82 A CB -0.636 18.326 19.000 -0.063 0.000 0.818 82 A HN 0.252 nan 8.150 nan 0.000 0.445 83 Q N -0.966 118.787 119.800 -0.079 0.000 2.016 83 Q HA -0.204 4.135 4.340 -0.001 0.000 0.200 83 Q C 2.181 178.269 176.000 0.147 0.000 0.978 83 Q CA 1.538 57.317 55.803 -0.039 0.000 0.833 83 Q CB -0.251 28.428 28.738 -0.098 0.000 0.895 83 Q HN 0.860 nan 8.270 nan 0.000 0.427 84 E N 0.583 120.888 120.200 0.175 0.000 2.130 84 E HA -0.244 4.105 4.350 -0.001 0.000 0.196 84 E C 1.849 178.566 176.600 0.194 0.000 0.998 84 E CA 1.140 57.691 56.400 0.252 0.000 0.806 84 E CB -0.080 29.717 29.700 0.162 0.000 0.738 84 E HN 0.359 nan 8.360 nan 0.000 0.459 85 A N 0.574 123.452 122.820 0.096 0.000 1.929 85 A HA -0.014 4.306 4.320 -0.001 0.000 0.216 85 A C 2.394 180.002 177.584 0.039 0.000 1.176 85 A CA 1.424 53.495 52.037 0.057 0.000 0.628 85 A CB -0.973 18.041 19.000 0.023 0.000 0.816 85 A HN 0.450 nan 8.150 nan 0.000 0.444 86 G N -1.396 107.406 108.800 0.004 0.000 2.418 86 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.217 86 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.217 86 G C 1.418 176.277 174.900 -0.068 0.000 1.158 86 G CA 0.898 45.949 45.100 -0.081 0.000 0.771 86 G HN 0.658 nan 8.290 nan 0.000 0.545 87 W N 0.633 121.956 121.300 0.039 0.000 2.358 87 W HA 0.071 4.730 4.660 -0.001 0.000 0.303 87 W C 2.747 179.186 176.519 -0.133 0.000 1.208 87 W CA 1.098 58.460 57.345 0.028 0.000 1.274 87 W CB 0.101 29.680 29.460 0.199 0.000 1.138 87 W HN 0.110 nan 8.180 nan 0.000 0.515 88 K N 0.247 120.726 120.400 0.131 0.000 2.103 88 K HA -0.163 4.157 4.320 -0.001 0.000 0.207 88 K C 2.211 178.783 176.600 -0.048 0.000 1.048 88 K CA 1.703 57.983 56.287 -0.011 0.000 0.930 88 K CB -0.723 31.791 32.500 0.022 0.000 0.716 88 K HN 0.220 nan 8.250 nan 0.000 0.444 89 G N 0.094 108.886 108.800 -0.014 0.000 2.422 89 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.218 89 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.218 89 G C 1.428 176.311 174.900 -0.029 0.000 1.140 89 G CA 0.725 45.812 45.100 -0.022 0.000 0.775 89 G HN 0.191 nan 8.290 nan 0.000 0.545 90 V N 0.450 120.357 119.914 -0.012 0.000 2.323 90 V HA -0.131 3.989 4.120 -0.001 0.000 0.244 90 V C 2.982 179.009 176.094 -0.111 0.000 1.041 90 V CA 1.282 63.593 62.300 0.019 0.000 1.025 90 V CB -0.344 31.559 31.823 0.132 0.000 0.656 90 V HN 0.226 nan 8.190 nan 0.000 0.451 91 V N 0.102 119.857 119.914 -0.265 0.000 2.392 91 V HA -0.310 3.809 4.120 -0.001 0.000 0.249 91 V C 2.455 178.190 176.094 -0.598 0.000 1.059 91 V CA 2.415 64.372 62.300 -0.572 0.000 1.051 91 V CB -0.542 30.814 31.823 -0.780 0.000 0.658 91 V HN 0.677 nan 8.190 nan 0.000 0.455 92 E N -0.033 119.983 120.200 -0.306 0.000 2.106 92 E HA -0.179 4.170 4.350 -0.001 0.000 0.192 92 E C 2.246 178.792 176.600 -0.090 0.000 0.984 92 E CA 1.153 57.458 56.400 -0.160 0.000 0.806 92 E CB -0.186 29.475 29.700 -0.065 0.000 0.750 92 E HN 0.578 nan 8.360 nan 0.000 0.458 93 A N 0.448 123.223 122.820 -0.074 0.000 1.902 93 A HA -0.125 4.194 4.320 -0.001 0.000 0.217 93 A C 2.380 179.960 177.584 -0.007 0.000 1.181 93 A CA 1.351 53.379 52.037 -0.014 0.000 0.623 93 A CB -0.643 18.369 19.000 0.019 0.000 0.818 93 A HN 0.215 nan 8.150 nan 0.000 0.443 94 V N -0.170 119.709 119.914 -0.058 0.000 2.295 94 V HA -0.319 3.800 4.120 -0.001 0.000 0.246 94 V C 2.296 178.429 176.094 0.064 0.000 1.049 94 V CA 2.350 64.639 62.300 -0.019 0.000 1.024 94 V CB -1.260 30.512 31.823 -0.086 0.000 0.648 94 V HN 0.745 nan 8.190 nan 0.000 0.447 95 H N 0.015 119.074 119.070 -0.017 0.000 2.352 95 H HA -0.126 4.430 4.556 -0.001 0.000 0.299 95 H C 2.274 177.598 175.328 -0.006 0.000 1.097 95 H CA 1.029 57.068 56.048 -0.014 0.000 1.311 95 H CB -0.114 29.634 29.762 -0.023 0.000 1.377 95 H HN 0.478 nan 8.280 nan 0.000 0.504 96 A N 1.040 123.929 122.820 0.116 0.000 2.125 96 A HA -0.131 4.189 4.320 -0.001 0.000 0.219 96 A C 1.714 179.325 177.584 0.045 0.000 1.156 96 A CA 1.212 53.286 52.037 0.062 0.000 0.671 96 A CB -0.059 18.964 19.000 0.039 0.000 0.794 96 A HN 0.345 nan 8.150 nan 0.000 0.459 97 K N -1.642 118.790 120.400 0.053 0.000 2.414 97 K HA 0.305 4.625 4.320 -0.001 0.000 0.204 97 K C 0.833 177.458 176.600 0.042 0.000 1.026 97 K CA 0.378 56.688 56.287 0.038 0.000 1.108 97 K CB 0.352 32.874 32.500 0.037 0.000 0.855 97 K HN 0.556 nan 8.250 nan 0.000 0.517 98 G N 1.239 110.071 108.800 0.053 0.000 2.159 98 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.256 98 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.256 98 G C 0.401 175.334 174.900 0.055 0.000 0.977 98 G CA -0.045 45.080 45.100 0.042 0.000 0.652 98 G HN 0.495 nan 8.290 nan 0.000 0.531 99 G N -0.893 107.958 108.800 0.086 0.000 2.535 99 G HA2 0.707 4.666 3.960 -0.001 0.000 0.303 99 G HA3 0.707 4.666 3.960 -0.001 0.000 0.303 99 G C -0.211 174.769 174.900 0.134 0.000 1.237 99 G CA -0.835 44.316 45.100 0.086 0.000 0.986 99 G HN 0.487 nan 8.290 nan 0.000 0.494 100 R N -1.096 119.461 120.500 0.096 0.000 2.628 100 R HA 0.585 4.924 4.340 -0.001 0.000 0.288 100 R C -1.100 175.249 176.300 0.082 0.000 0.980 100 R CA -0.530 55.641 56.100 0.118 0.000 0.891 100 R CB 2.479 32.818 30.300 0.065 0.000 1.188 100 R HN 0.473 nan 8.270 nan 0.000 0.450 101 I N 1.141 121.785 120.570 0.122 0.000 2.582 101 I HA 0.721 4.890 4.170 -0.001 0.000 0.292 101 I C -1.260 174.955 176.117 0.163 0.000 1.066 101 I CA -0.659 60.688 61.300 0.079 0.000 1.053 101 I CB 1.870 39.873 38.000 0.006 0.000 1.241 101 I HN 0.787 nan 8.210 nan 0.000 0.421 102 A N 7.091 129.934 122.820 0.038 0.000 2.318 102 A HA 0.660 4.980 4.320 -0.001 0.000 0.324 102 A C -1.362 176.056 177.584 -0.278 0.000 1.170 102 A CA -0.549 51.442 52.037 -0.076 0.000 0.810 102 A CB 1.360 20.322 19.000 -0.062 0.000 1.198 102 A HN 0.668 nan 8.150 nan 0.000 0.484 103 L N 1.652 122.479 121.223 -0.660 0.000 2.276 103 L HA 0.360 4.700 4.340 -0.001 0.000 0.286 103 L C 0.389 176.950 176.870 -0.515 0.000 1.061 103 L CA 0.174 54.458 54.840 -0.926 0.000 0.807 103 L CB 1.194 42.211 42.059 -1.737 0.000 1.177 103 L HN 0.775 nan 8.230 nan 0.000 0.429 104 Q N 5.238 124.838 119.800 -0.334 0.000 2.322 104 Q HA 0.355 4.695 4.340 -0.001 0.000 0.256 104 Q C -1.290 174.670 176.000 -0.067 0.000 0.960 104 Q CA -0.538 55.158 55.803 -0.178 0.000 0.934 104 Q CB 0.751 29.388 28.738 -0.168 0.000 1.200 104 Q HN 0.705 nan 8.270 nan 0.000 0.435 105 L N 4.781 126.019 121.223 0.025 0.000 2.369 105 L HA 0.236 4.575 4.340 -0.001 0.000 0.279 105 L C -0.459 176.652 176.870 0.401 0.000 1.108 105 L CA -0.390 54.555 54.840 0.175 0.000 0.852 105 L CB 0.018 42.230 42.059 0.256 0.000 1.169 105 L HN 0.607 nan 8.230 nan 0.000 0.452 106 W N 4.853 126.233 121.300 0.134 0.000 2.606 106 W HA 0.410 5.069 4.660 -0.001 0.000 0.332 106 W C -0.557 176.019 176.519 0.094 0.000 1.052 106 W CA -0.494 56.950 57.345 0.165 0.000 1.223 106 W CB 0.908 30.473 29.460 0.175 0.000 1.383 106 W HN 0.347 nan 8.180 nan 0.000 0.524 107 H N 5.076 124.239 119.070 0.155 0.000 3.277 107 H HA 0.176 4.731 4.556 -0.001 0.000 0.329 107 H C 0.616 175.819 175.328 -0.209 0.000 1.034 107 H CA -0.095 55.880 56.048 -0.121 0.000 1.530 107 H CB 1.365 31.164 29.762 0.060 0.000 1.837 107 H HN 0.377 nan 8.280 nan 0.000 0.493 108 V N 2.618 122.356 119.914 -0.293 0.000 3.141 108 V HA 0.181 4.300 4.120 -0.001 0.000 0.265 108 V C 1.499 177.589 176.094 -0.007 0.000 1.126 108 V CA 1.274 63.442 62.300 -0.220 0.000 1.141 108 V CB -0.956 30.634 31.823 -0.389 0.000 0.743 108 V HN 0.925 nan 8.190 nan 0.000 0.492 109 G N 2.487 111.395 108.800 0.180 0.000 2.622 109 G HA2 -0.462 3.498 3.960 -0.001 0.000 0.307 109 G HA3 -0.462 3.498 3.960 -0.001 0.000 0.307 109 G C 1.025 175.919 174.900 -0.011 0.000 1.226 109 G CA 1.430 46.571 45.100 0.069 0.000 0.997 109 G HN 0.974 nan 8.290 nan 0.000 0.551 110 R N -0.014 120.463 120.500 -0.037 0.000 2.285 110 R HA 0.208 4.548 4.340 -0.001 0.000 0.213 110 R C 1.082 177.334 176.300 -0.080 0.000 1.068 110 R CA 1.309 57.374 56.100 -0.058 0.000 1.004 110 R CB -0.267 30.003 30.300 -0.049 0.000 0.873 110 R HN 0.443 nan 8.270 nan 0.000 0.467 111 V N 1.778 121.623 119.914 -0.115 0.000 2.055 111 V HA 0.137 4.256 4.120 -0.001 0.000 0.248 111 V C 0.046 176.010 176.094 -0.216 0.000 1.476 111 V CA 0.069 62.249 62.300 -0.200 0.000 1.417 111 V CB -0.308 31.293 31.823 -0.370 0.000 1.465 111 V HN 0.404 nan 8.190 nan 0.000 0.502 112 S N 1.407 117.012 115.700 -0.158 0.000 2.757 112 S HA 0.719 5.188 4.470 -0.001 0.000 0.285 112 S C -1.572 173.001 174.600 -0.044 0.000 1.196 112 S CA -0.583 57.522 58.200 -0.159 0.000 0.856 112 S CB 1.999 65.097 63.200 -0.170 0.000 1.212 112 S HN 0.757 nan 8.310 nan 0.000 0.516 113 H N -0.397 118.579 119.070 -0.157 0.000 3.046 113 H HA 0.487 5.043 4.556 -0.001 0.000 0.361 113 H C 0.166 175.425 175.328 -0.115 0.000 1.235 113 H CA -0.300 55.687 56.048 -0.101 0.000 1.146 113 H CB 1.597 31.328 29.762 -0.051 0.000 1.859 113 H HN 0.578 nan 8.280 nan 0.000 0.548 114 E N 2.049 121.993 120.200 -0.426 0.000 2.118 114 E HA -0.120 4.229 4.350 -0.001 0.000 0.195 114 E C 1.716 178.282 176.600 -0.058 0.000 0.992 114 E CA 1.502 57.770 56.400 -0.219 0.000 0.804 114 E CB -0.024 29.524 29.700 -0.253 0.000 0.741 114 E HN 0.565 nan 8.360 nan 0.000 0.458 115 L N -0.410 120.906 121.223 0.156 0.000 2.079 115 L HA -0.160 4.179 4.340 -0.001 0.000 0.210 115 L C 2.319 179.118 176.870 -0.119 0.000 1.081 115 L CA 0.859 55.709 54.840 0.018 0.000 0.752 115 L CB -0.299 41.720 42.059 -0.066 0.000 0.896 115 L HN 0.124 nan 8.230 nan 0.000 0.433 116 V N -1.119 118.719 119.914 -0.127 0.000 3.174 116 V HA -0.030 4.089 4.120 -0.001 0.000 0.254 116 V C 1.078 177.080 176.094 -0.153 0.000 1.120 116 V CA 0.144 62.328 62.300 -0.193 0.000 1.114 116 V CB 0.237 31.915 31.823 -0.243 0.000 0.756 116 V HN 0.369 nan 8.190 nan 0.000 0.467 117 Q N 2.278 121.999 119.800 -0.132 0.000 2.373 117 Q HA 0.245 4.585 4.340 -0.001 0.000 0.255 117 Q C -2.418 173.512 176.000 -0.117 0.000 0.980 117 Q CA -1.913 53.807 55.803 -0.139 0.000 0.882 117 Q CB 1.005 29.660 28.738 -0.138 0.000 1.249 117 Q HN 0.285 nan 8.270 nan 0.000 0.438 118 P HA 0.029 nan 4.420 nan 0.000 0.271 118 P C -1.023 176.230 177.300 -0.078 0.000 1.216 118 P CA 0.255 63.302 63.100 -0.089 0.000 0.771 118 P CB 0.468 32.108 31.700 -0.100 0.000 0.864 119 D N 2.100 122.466 120.400 -0.058 0.000 2.837 119 D HA -0.164 4.475 4.640 -0.001 0.000 0.230 119 D C 1.027 177.292 176.300 -0.058 0.000 1.152 119 D CA 1.565 55.535 54.000 -0.050 0.000 0.736 119 D CB -1.941 38.831 40.800 -0.046 0.000 1.084 119 D HN 0.796 nan 8.370 nan 0.000 0.429 120 G N -0.248 108.511 108.800 -0.067 0.000 2.321 120 G HA2 -0.414 3.546 3.960 -0.001 0.000 0.287 120 G HA3 -0.414 3.546 3.960 -0.001 0.000 0.287 120 G C 0.217 175.064 174.900 -0.089 0.000 1.018 120 G CA 0.715 45.770 45.100 -0.076 0.000 0.855 120 G HN 0.551 nan 8.290 nan 0.000 0.507 121 Q N -0.777 118.967 119.800 -0.093 0.000 2.394 121 Q HA 0.341 4.681 4.340 -0.001 0.000 0.248 121 Q C 0.672 176.604 176.000 -0.113 0.000 0.992 121 Q CA -0.101 55.645 55.803 -0.095 0.000 0.888 121 Q CB 0.615 29.296 28.738 -0.096 0.000 1.257 121 Q HN 0.580 nan 8.270 nan 0.000 0.462 122 Q N 2.259 121.997 119.800 -0.104 0.000 2.304 122 Q HA 0.200 4.539 4.340 -0.001 0.000 0.260 122 Q C -2.301 173.635 176.000 -0.106 0.000 0.965 122 Q CA -1.841 53.894 55.803 -0.113 0.000 0.898 122 Q CB 0.645 29.325 28.738 -0.097 0.000 1.196 122 Q HN 0.235 nan 8.270 nan 0.000 0.402 123 P HA -0.096 nan 4.420 nan 0.000 0.265 123 P C -0.983 176.271 177.300 -0.076 0.000 1.193 123 P CA -0.011 63.032 63.100 -0.096 0.000 0.765 123 P CB 0.574 32.212 31.700 -0.103 0.000 0.823 124 V N 0.486 120.370 119.914 -0.049 0.000 2.973 124 V HA 0.956 5.075 4.120 -0.001 0.000 0.314 124 V C -0.217 175.835 176.094 -0.070 0.000 1.066 124 V CA -0.791 61.475 62.300 -0.057 0.000 1.021 124 V CB 1.178 32.975 31.823 -0.043 0.000 1.076 124 V HN 0.753 nan 8.190 nan 0.000 0.462 125 A N 2.525 125.278 122.820 -0.113 0.000 2.515 125 A HA 0.783 5.103 4.320 -0.001 0.000 0.292 125 A C -2.635 174.775 177.584 -0.289 0.000 1.065 125 A CA -0.320 51.623 52.037 -0.157 0.000 0.641 125 A CB 0.577 19.497 19.000 -0.132 0.000 1.306 125 A HN 0.561 nan 8.150 nan 0.000 0.441 126 P HA 0.037 nan 4.420 nan 0.000 0.217 126 P C 0.571 177.620 177.300 -0.418 0.000 1.151 126 P CA 1.225 63.812 63.100 -0.856 0.000 0.828 126 P CB 0.277 31.064 31.700 -1.522 0.000 0.788 127 S N -1.213 114.310 115.700 -0.295 0.000 2.570 127 S HA 0.586 5.055 4.470 -0.001 0.000 0.286 127 S C -0.290 174.230 174.600 -0.132 0.000 1.099 127 S CA -0.514 57.578 58.200 -0.180 0.000 0.913 127 S CB 1.831 64.942 63.200 -0.149 0.000 1.085 127 S HN 0.100 nan 8.310 nan 0.000 0.480 128 A N 2.748 125.508 122.820 -0.100 0.000 3.048 128 A HA 0.469 4.788 4.320 -0.001 0.000 0.264 128 A C -0.423 177.122 177.584 -0.065 0.000 1.796 128 A CA 0.007 51.996 52.037 -0.079 0.000 1.445 128 A CB -1.050 17.910 19.000 -0.067 0.000 1.074 128 A HN 0.635 nan 8.150 nan 0.000 0.621 129 L N 1.026 122.210 121.223 -0.065 0.000 2.349 129 L HA 0.391 4.730 4.340 -0.001 0.000 0.278 129 L C 0.322 177.171 176.870 -0.036 0.000 0.996 129 L CA -0.644 54.168 54.840 -0.046 0.000 0.825 129 L CB 1.848 43.880 42.059 -0.045 0.000 1.243 129 L HN 0.445 nan 8.230 nan 0.000 0.412 130 K N 2.109 122.494 120.400 -0.025 0.000 2.258 130 K HA 0.479 4.798 4.320 -0.001 0.000 0.264 130 K C -0.025 176.579 176.600 0.006 0.000 1.007 130 K CA -0.351 55.927 56.287 -0.015 0.000 0.941 130 K CB 1.148 33.641 32.500 -0.012 0.000 0.966 130 K HN 0.713 nan 8.250 nan 0.000 0.480 131 A N 4.689 127.522 122.820 0.022 0.000 2.415 131 A HA 0.127 4.447 4.320 -0.001 0.000 0.309 131 A C -0.563 177.061 177.584 0.068 0.000 1.356 131 A CA -0.580 51.495 52.037 0.063 0.000 0.998 131 A CB 0.090 19.148 19.000 0.097 0.000 1.145 131 A HN 0.715 nan 8.150 nan 0.000 0.545 132 E N 1.409 121.640 120.200 0.052 0.000 2.502 132 E HA 0.160 4.509 4.350 -0.001 0.000 0.261 132 E C 1.400 178.032 176.600 0.054 0.000 0.974 132 E CA 1.240 57.663 56.400 0.039 0.000 0.936 132 E CB 0.283 29.997 29.700 0.023 0.000 0.926 132 E HN 1.230 nan 8.360 nan 0.000 0.459 133 G N 1.974 110.797 108.800 0.038 0.000 2.216 133 G HA2 -0.363 3.596 3.960 -0.001 0.000 0.269 133 G HA3 -0.363 3.596 3.960 -0.001 0.000 0.269 133 G C 0.576 175.526 174.900 0.085 0.000 0.981 133 G CA 0.700 45.825 45.100 0.041 0.000 0.658 133 G HN 0.838 nan 8.290 nan 0.000 0.539 134 A N -0.259 122.643 122.820 0.137 0.000 2.425 134 A HA 0.644 4.963 4.320 -0.001 0.000 0.249 134 A C 0.373 178.062 177.584 0.175 0.000 1.084 134 A CA 0.465 52.663 52.037 0.268 0.000 0.781 134 A CB 0.394 19.595 19.000 0.335 0.000 1.019 134 A HN 0.577 nan 8.150 nan 0.000 0.490 135 E N -0.102 120.239 120.200 0.236 0.000 2.369 135 E HA 0.556 4.906 4.350 -0.001 0.000 0.270 135 E C -0.949 175.683 176.600 0.052 0.000 0.909 135 E CA -0.808 55.660 56.400 0.113 0.000 0.775 135 E CB 1.951 31.723 29.700 0.119 0.000 1.270 135 E HN 0.919 nan 8.360 nan 0.000 0.445 136 C N -0.720 118.524 119.300 -0.093 0.000 3.044 136 C HA 0.670 5.130 4.460 -0.001 0.000 0.315 136 C C -0.743 174.120 174.990 -0.211 0.000 1.320 136 C CA -1.061 57.721 59.018 -0.394 0.000 1.582 136 C CB 0.482 27.896 27.740 -0.543 0.000 2.039 136 C HN 0.730 nan 8.230 nan 0.000 0.466 137 F N 2.409 122.029 119.950 -0.551 0.000 2.390 137 F HA 0.683 5.210 4.527 -0.001 0.000 0.361 137 F C -0.196 175.412 175.800 -0.319 0.000 1.124 137 F CA -0.957 56.900 58.000 -0.238 0.000 1.149 137 F CB 0.571 39.592 39.000 0.034 0.000 1.160 137 F HN 0.602 nan 8.300 nan 0.000 0.501 138 V N 5.214 124.776 119.914 -0.586 0.000 2.914 138 V HA 0.353 4.473 4.120 -0.001 0.000 0.314 138 V C -0.626 174.884 176.094 -0.974 0.000 1.084 138 V CA -1.182 60.635 62.300 -0.805 0.000 0.963 138 V CB 2.054 33.398 31.823 -0.799 0.000 1.025 138 V HN 0.617 nan 8.190 nan 0.000 0.432 139 E N 2.127 121.844 120.200 -0.805 0.000 2.055 139 E HA 0.449 4.799 4.350 -0.001 0.000 0.274 139 E C -1.126 175.196 176.600 -0.463 0.000 0.949 139 E CA -0.485 55.592 56.400 -0.540 0.000 0.775 139 E CB 0.587 30.067 29.700 -0.367 0.000 1.097 139 E HN 0.462 nan 8.360 nan 0.000 0.404 140 F N 2.367 122.210 119.950 -0.178 0.000 2.485 140 F HA 0.062 4.589 4.527 -0.001 0.000 0.327 140 F C 1.759 177.502 175.800 -0.095 0.000 1.203 140 F CA 0.009 57.917 58.000 -0.154 0.000 1.295 140 F CB 0.481 39.398 39.000 -0.139 0.000 1.191 140 F HN 0.599 nan 8.300 nan 0.000 0.588 141 E N 0.203 120.475 120.200 0.118 0.000 2.219 141 E HA -0.239 4.111 4.350 -0.001 0.000 0.198 141 E C 1.110 177.744 176.600 0.057 0.000 0.998 141 E CA 1.460 57.894 56.400 0.056 0.000 0.818 141 E CB -0.279 29.448 29.700 0.043 0.000 0.741 141 E HN 0.590 nan 8.360 nan 0.000 0.477 142 D N -0.879 119.569 120.400 0.079 0.000 2.323 142 D HA 0.029 4.669 4.640 -0.001 0.000 0.239 142 D C 1.177 177.515 176.300 0.063 0.000 1.129 142 D CA 0.638 54.669 54.000 0.053 0.000 0.865 142 D CB -0.021 40.797 40.800 0.029 0.000 0.913 142 D HN 0.199 nan 8.370 nan 0.000 0.517 143 G N -0.547 108.299 108.800 0.075 0.000 2.212 143 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.266 143 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.266 143 G C 0.553 175.520 174.900 0.112 0.000 0.978 143 G CA 0.661 45.808 45.100 0.077 0.000 0.632 143 G HN 0.517 nan 8.290 nan 0.000 0.537 144 T N 0.596 115.238 114.554 0.147 0.000 2.849 144 T HA 0.698 5.048 4.350 -0.001 0.000 0.284 144 T C 0.367 175.237 174.700 0.284 0.000 1.004 144 T CA 0.619 62.836 62.100 0.195 0.000 1.021 144 T CB 1.800 70.760 68.868 0.155 0.000 1.013 144 T HN 1.578 nan 8.240 nan 0.000 0.527 145 A N 0.078 123.076 122.820 0.297 0.000 2.515 145 A HA 0.943 5.262 4.320 -0.001 0.000 0.298 145 A C -0.127 177.705 177.584 0.414 0.000 1.059 145 A CA -0.209 51.935 52.037 0.179 0.000 0.698 145 A CB 1.834 20.839 19.000 0.008 0.000 1.289 145 A HN 1.255 nan 8.150 nan 0.000 0.404 146 G N -0.399 108.642 108.800 0.402 0.000 2.342 146 G HA2 0.548 4.507 3.960 -0.001 0.000 0.297 146 G HA3 0.548 4.507 3.960 -0.001 0.000 0.297 146 G C -1.825 173.363 174.900 0.480 0.000 1.313 146 G CA -0.849 44.602 45.100 0.585 0.000 0.830 146 G HN 0.808 nan 8.290 nan 0.000 0.506 147 L N 0.884 122.332 121.223 0.374 0.000 2.453 147 L HA 0.559 4.899 4.340 -0.001 0.000 0.272 147 L C 0.182 177.230 176.870 0.296 0.000 1.182 147 L CA 0.366 55.366 54.840 0.267 0.000 0.858 147 L CB 0.653 42.820 42.059 0.180 0.000 1.120 147 L HN 0.748 nan 8.230 nan 0.000 0.474 148 H N 3.147 122.245 119.070 0.047 0.000 2.954 148 H HA 0.481 5.036 4.556 -0.001 0.000 0.361 148 H C -2.594 172.704 175.328 -0.050 0.000 1.122 148 H CA -1.933 54.109 56.048 -0.009 0.000 1.217 148 H CB 2.027 31.679 29.762 -0.182 0.000 1.776 148 H HN 0.338 nan 8.280 nan 0.000 0.533 149 P HA -0.020 nan 4.420 nan 0.000 0.265 149 P C -0.323 176.915 177.300 -0.103 0.000 1.187 149 P CA 0.230 63.205 63.100 -0.209 0.000 0.766 149 P CB 0.506 32.063 31.700 -0.240 0.000 0.820 150 T N 1.952 116.505 114.554 -0.002 0.000 2.918 150 T HA 0.308 4.658 4.350 -0.001 0.000 0.302 150 T C 0.506 175.251 174.700 0.076 0.000 1.045 150 T CA -0.280 61.849 62.100 0.048 0.000 1.114 150 T CB -0.031 68.838 68.868 0.002 0.000 0.965 150 T HN 0.455 nan 8.240 nan 0.000 0.540 151 S N 2.917 118.661 115.700 0.073 0.000 2.713 151 S HA 0.468 4.937 4.470 -0.001 0.000 0.277 151 S C -0.054 174.517 174.600 -0.048 0.000 1.168 151 S CA -0.844 57.345 58.200 -0.019 0.000 0.994 151 S CB 0.620 63.705 63.200 -0.193 0.000 1.054 151 S HN 0.707 nan 8.310 nan 0.000 0.555 152 T N 3.873 118.391 114.554 -0.061 0.000 2.737 152 T HA 0.419 4.769 4.350 -0.001 0.000 0.296 152 T C -2.104 172.552 174.700 -0.073 0.000 0.922 152 T CA -0.761 61.305 62.100 -0.056 0.000 1.079 152 T CB 0.575 69.414 68.868 -0.049 0.000 0.892 152 T HN 0.541 nan 8.240 nan 0.000 0.514 153 P HA 0.311 nan 4.420 nan 0.000 0.276 153 P C -0.637 176.616 177.300 -0.079 0.000 1.261 153 P CA -0.847 62.205 63.100 -0.080 0.000 0.800 153 P CB 0.990 32.643 31.700 -0.079 0.000 1.066 154 R N -0.141 120.310 120.500 -0.082 0.000 2.589 154 R HA 0.745 5.085 4.340 -0.001 0.000 0.293 154 R C -0.470 175.774 176.300 -0.093 0.000 0.963 154 R CA -1.018 55.035 56.100 -0.079 0.000 0.905 154 R CB 1.024 31.281 30.300 -0.072 0.000 1.144 154 R HN 0.384 nan 8.270 nan 0.000 0.459 155 A N 4.425 127.188 122.820 -0.094 0.000 2.488 155 A HA 0.217 4.536 4.320 -0.001 0.000 0.249 155 A C 0.249 177.769 177.584 -0.106 0.000 1.083 155 A CA -0.582 51.386 52.037 -0.116 0.000 0.768 155 A CB 0.101 19.038 19.000 -0.105 0.000 1.017 155 A HN 0.725 nan 8.150 nan 0.000 0.496 156 L N 2.876 124.022 121.223 -0.128 0.000 2.455 156 L HA 0.075 4.415 4.340 -0.001 0.000 0.272 156 L C 0.609 177.428 176.870 -0.085 0.000 1.174 156 L CA -0.254 54.522 54.840 -0.108 0.000 0.869 156 L CB 0.340 42.325 42.059 -0.124 0.000 1.130 156 L HN 0.667 nan 8.230 nan 0.000 0.474 157 E N 2.130 122.290 120.200 -0.067 0.000 2.392 157 E HA -0.002 4.347 4.350 -0.001 0.000 0.264 157 E C 1.109 177.687 176.600 -0.037 0.000 1.024 157 E CA 0.018 56.393 56.400 -0.042 0.000 0.903 157 E CB 0.824 30.504 29.700 -0.033 0.000 0.963 157 E HN 0.594 nan 8.360 nan 0.000 0.432 158 T N 1.766 116.323 114.554 0.005 0.000 2.699 158 T HA -0.208 4.142 4.350 -0.001 0.000 0.268 158 T C 1.049 175.769 174.700 0.032 0.000 1.036 158 T CA 1.895 64.028 62.100 0.055 0.000 1.147 158 T CB -0.175 68.763 68.868 0.116 0.000 0.862 158 T HN 0.535 nan 8.240 nan 0.000 0.446 159 D N 0.812 121.225 120.400 0.021 0.000 2.363 159 D HA 0.085 4.725 4.640 -0.001 0.000 0.226 159 D C 1.794 178.086 176.300 -0.013 0.000 1.020 159 D CA 0.483 54.494 54.000 0.018 0.000 0.892 159 D CB -0.724 40.087 40.800 0.019 0.000 0.900 159 D HN 0.486 nan 8.370 nan 0.000 0.531 160 G N 0.308 109.080 108.800 -0.046 0.000 2.796 160 G HA2 0.013 3.973 3.960 -0.001 0.000 0.210 160 G HA3 0.013 3.973 3.960 -0.001 0.000 0.210 160 G C 1.457 176.294 174.900 -0.105 0.000 1.146 160 G CA -0.153 44.908 45.100 -0.064 0.000 0.779 160 G HN 0.160 nan 8.290 nan 0.000 0.535 161 I N 1.828 122.291 120.570 -0.178 0.000 2.286 161 I HA -0.065 4.105 4.170 -0.001 0.000 0.248 161 I C -0.252 175.800 176.117 -0.108 0.000 1.115 161 I CA 0.911 62.029 61.300 -0.302 0.000 1.392 161 I CB -1.667 35.956 38.000 -0.628 0.000 1.065 161 I HN 0.064 nan 8.210 nan 0.000 0.418 162 P HA -0.099 nan 4.420 nan 0.000 0.218 162 P C 1.734 179.067 177.300 0.055 0.000 1.148 162 P CA 1.524 64.651 63.100 0.045 0.000 0.822 162 P CB -0.165 31.564 31.700 0.049 0.000 0.784 163 G N -0.493 108.323 108.800 0.026 0.000 2.408 163 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.217 163 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.217 163 G C 1.418 176.358 174.900 0.066 0.000 1.150 163 G CA 0.449 45.569 45.100 0.033 0.000 0.776 163 G HN 0.223 nan 8.290 nan 0.000 0.542 164 I N 0.544 121.162 120.570 0.079 0.000 2.226 164 I HA -0.146 4.023 4.170 -0.001 0.000 0.245 164 I C 2.757 179.083 176.117 0.349 0.000 1.100 164 I CA 0.476 61.886 61.300 0.184 0.000 1.374 164 I CB -0.348 37.733 38.000 0.134 0.000 1.057 164 I HN 0.004 nan 8.210 nan 0.000 0.413 165 V N 0.704 120.816 119.914 0.330 0.000 2.332 165 V HA -0.300 3.820 4.120 -0.001 0.000 0.248 165 V C 2.589 178.814 176.094 0.218 0.000 1.055 165 V CA 2.219 64.686 62.300 0.278 0.000 1.038 165 V CB -0.668 31.250 31.823 0.159 0.000 0.651 165 V HN 0.444 nan 8.190 nan 0.000 0.450 166 E N 0.651 120.941 120.200 0.149 0.000 2.110 166 E HA -0.229 4.120 4.350 -0.001 0.000 0.193 166 E C 1.754 178.420 176.600 0.110 0.000 0.988 166 E CA 1.634 58.100 56.400 0.110 0.000 0.804 166 E CB -0.397 29.348 29.700 0.075 0.000 0.745 166 E HN 0.609 nan 8.360 nan 0.000 0.458 167 D N -0.800 119.659 120.400 0.099 0.000 2.117 167 D HA -0.168 4.472 4.640 -0.001 0.000 0.197 167 D C 1.698 178.015 176.300 0.030 0.000 0.987 167 D CA 1.054 55.072 54.000 0.031 0.000 0.829 167 D CB -0.447 40.325 40.800 -0.047 0.000 0.961 167 D HN 0.317 nan 8.370 nan 0.000 0.460 168 Y N 0.963 121.309 120.300 0.077 0.000 2.145 168 Y HA -0.121 4.429 4.550 -0.001 0.000 0.286 168 Y C 2.612 178.539 175.900 0.045 0.000 1.145 168 Y CA 1.250 59.383 58.100 0.054 0.000 1.148 168 Y CB -0.197 38.272 38.460 0.014 0.000 0.981 168 Y HN -0.132 nan 8.280 nan 0.000 0.507 169 R N 0.295 120.919 120.500 0.207 0.000 2.091 169 R HA -0.229 4.110 4.340 -0.001 0.000 0.238 169 R C 2.386 178.760 176.300 0.124 0.000 1.136 169 R CA 1.768 57.952 56.100 0.139 0.000 0.959 169 R CB -0.330 30.034 30.300 0.106 0.000 0.856 169 R HN 0.344 nan 8.270 nan 0.000 0.437 170 Q N 0.387 120.254 119.800 0.113 0.000 2.084 170 Q HA -0.146 4.193 4.340 -0.001 0.000 0.202 170 Q C 1.824 177.894 176.000 0.117 0.000 0.978 170 Q CA 1.877 57.745 55.803 0.107 0.000 0.844 170 Q CB -0.144 28.656 28.738 0.103 0.000 0.898 170 Q HN 0.459 nan 8.270 nan 0.000 0.426 171 A N 0.973 123.859 122.820 0.110 0.000 1.902 171 A HA -0.081 4.238 4.320 -0.001 0.000 0.217 171 A C 2.359 180.000 177.584 0.096 0.000 1.181 171 A CA 2.032 54.126 52.037 0.095 0.000 0.623 171 A CB -0.926 18.104 19.000 0.051 0.000 0.818 171 A HN 0.529 nan 8.150 nan 0.000 0.443 172 A N -0.699 122.199 122.820 0.130 0.000 1.933 172 A HA -0.218 4.102 4.320 -0.001 0.000 0.218 172 A C 2.108 179.859 177.584 0.277 0.000 1.175 172 A CA 1.668 53.837 52.037 0.220 0.000 0.628 172 A CB -0.575 18.568 19.000 0.238 0.000 0.814 172 A HN 0.670 nan 8.150 nan 0.000 0.444 173 Q N -0.732 119.167 119.800 0.165 0.000 2.124 173 Q HA -0.145 4.194 4.340 -0.001 0.000 0.202 173 Q C 2.275 178.340 176.000 0.109 0.000 0.977 173 Q CA 1.461 57.328 55.803 0.106 0.000 0.850 173 Q CB -0.153 28.633 28.738 0.079 0.000 0.901 173 Q HN 0.644 nan 8.270 nan 0.000 0.429 174 R N 0.096 120.675 120.500 0.132 0.000 2.119 174 R HA 0.017 4.356 4.340 -0.001 0.000 0.222 174 R C 2.258 178.677 176.300 0.199 0.000 1.088 174 R CA 0.864 57.049 56.100 0.142 0.000 0.984 174 R CB -0.234 30.151 30.300 0.141 0.000 0.884 174 R HN 0.161 nan 8.270 nan 0.000 0.447 175 A N 1.844 124.798 122.820 0.224 0.000 1.877 175 A HA -0.213 4.106 4.320 -0.001 0.000 0.216 175 A C 2.090 179.994 177.584 0.533 0.000 1.186 175 A CA 1.508 53.763 52.037 0.362 0.000 0.620 175 A CB -0.346 18.711 19.000 0.095 0.000 0.822 175 A HN 0.207 nan 8.150 nan 0.000 0.443 176 K N -0.579 120.014 120.400 0.321 0.000 2.097 176 K HA -0.141 4.179 4.320 -0.001 0.000 0.206 176 K C 2.288 178.891 176.600 0.006 0.000 1.049 176 K CA 1.485 57.715 56.287 -0.094 0.000 0.933 176 K CB -0.166 31.963 32.500 -0.619 0.000 0.717 176 K HN 0.404 nan 8.250 nan 0.000 0.442 177 R N -0.157 120.374 120.500 0.052 0.000 2.148 177 R HA -0.025 4.314 4.340 -0.001 0.000 0.227 177 R C 1.766 178.112 176.300 0.076 0.000 1.103 177 R CA 1.139 57.267 56.100 0.047 0.000 0.983 177 R CB -0.120 30.212 30.300 0.053 0.000 0.874 177 R HN 0.250 nan 8.270 nan 0.000 0.451 178 A N -0.610 122.294 122.820 0.139 0.000 2.206 178 A HA 0.176 4.495 4.320 -0.001 0.000 0.211 178 A C 1.415 178.982 177.584 -0.028 0.000 1.158 178 A CA 0.902 52.992 52.037 0.088 0.000 0.761 178 A CB -0.156 18.953 19.000 0.181 0.000 0.801 178 A HN 0.555 nan 8.150 nan 0.000 0.473 179 G N -2.203 106.628 108.800 0.051 0.000 2.176 179 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.232 179 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.232 179 G C 0.094 175.072 174.900 0.129 0.000 0.986 179 G CA -0.133 45.003 45.100 0.060 0.000 0.643 179 G HN 0.323 nan 8.290 nan 0.000 0.522 180 F N 1.959 122.008 119.950 0.166 0.000 2.629 180 F HA 0.159 4.686 4.527 -0.001 0.000 0.369 180 F C 1.756 177.738 175.800 0.303 0.000 1.125 180 F CA 0.867 58.973 58.000 0.176 0.000 1.330 180 F CB 0.549 39.620 39.000 0.117 0.000 1.071 180 F HN 0.066 nan 8.300 nan 0.000 0.595 181 D N 2.428 123.087 120.400 0.432 0.000 2.149 181 D HA -0.042 4.598 4.640 -0.001 0.000 0.201 181 D C 0.620 177.121 176.300 0.336 0.000 0.972 181 D CA 1.469 55.665 54.000 0.328 0.000 0.835 181 D CB 0.264 41.197 40.800 0.221 0.000 0.966 181 D HN 0.407 nan 8.370 nan 0.000 0.476 182 M N -0.583 119.115 119.600 0.164 0.000 2.843 182 M HA 0.309 4.789 4.480 -0.001 0.000 0.273 182 M C -1.359 174.584 176.300 -0.594 0.000 1.286 182 M CA -0.992 54.202 55.300 -0.177 0.000 0.807 182 M CB 3.378 35.953 32.600 -0.043 0.000 1.684 182 M HN -0.305 nan 8.290 nan 0.000 0.458 183 V N -1.654 117.809 119.914 -0.752 0.000 2.841 183 V HA 0.700 4.819 4.120 -0.001 0.000 0.310 183 V C -1.284 174.571 176.094 -0.399 0.000 1.090 183 V CA -0.584 61.317 62.300 -0.665 0.000 0.930 183 V CB 1.860 33.190 31.823 -0.821 0.000 1.014 183 V HN 0.910 nan 8.190 nan 0.000 0.425 184 E N 2.340 122.371 120.200 -0.281 0.000 2.165 184 E HA 0.595 4.944 4.350 -0.001 0.000 0.266 184 E C -1.380 175.136 176.600 -0.140 0.000 0.889 184 E CA -0.768 55.517 56.400 -0.191 0.000 0.756 184 E CB 2.250 31.916 29.700 -0.057 0.000 1.131 184 E HN 0.722 nan 8.360 nan 0.000 0.411 185 V N 5.037 124.859 119.914 -0.153 0.000 2.439 185 V HA 0.001 4.121 4.120 -0.001 0.000 0.271 185 V C 0.259 176.365 176.094 0.020 0.000 1.040 185 V CA -0.282 61.973 62.300 -0.075 0.000 1.002 185 V CB 0.350 32.059 31.823 -0.190 0.000 1.000 185 V HN 0.622 nan 8.190 nan 0.000 0.477 186 H N 5.161 124.246 119.070 0.026 0.000 2.944 186 H HA 0.466 5.022 4.556 -0.001 0.000 0.278 186 H C 0.364 175.739 175.328 0.078 0.000 1.083 186 H CA -0.186 55.890 56.048 0.048 0.000 1.479 186 H CB 1.106 30.932 29.762 0.108 0.000 1.486 186 H HN 0.684 nan 8.280 nan 0.000 0.493 187 A N 4.158 127.184 122.820 0.342 0.000 2.585 187 A HA 0.636 4.956 4.320 -0.001 0.000 0.281 187 A C 0.036 177.739 177.584 0.199 0.000 0.945 187 A CA 0.274 52.410 52.037 0.165 0.000 1.031 187 A CB -0.112 18.906 19.000 0.030 0.000 1.221 187 A HN 0.731 nan 8.150 nan 0.000 0.496 188 A N -0.524 122.509 122.820 0.354 0.000 2.443 188 A HA 0.693 5.012 4.320 -0.001 0.000 0.278 188 A C 0.220 178.012 177.584 0.347 0.000 1.252 188 A CA -0.364 51.855 52.037 0.303 0.000 0.816 188 A CB 0.363 19.500 19.000 0.228 0.000 1.369 188 A HN 0.521 nan 8.150 nan 0.000 0.446 189 N N -0.943 117.951 118.700 0.324 0.000 2.708 189 N HA -0.204 4.536 4.740 -0.001 0.000 0.249 189 N C 0.552 176.305 175.510 0.404 0.000 1.097 189 N CA 2.087 55.361 53.050 0.373 0.000 0.710 189 N CB -1.689 37.065 38.487 0.445 0.000 1.032 189 N HN 2.203 nan 8.380 nan 0.000 0.551 190 A N -2.712 120.288 122.820 0.301 0.000 2.832 190 A HA -0.272 4.047 4.320 -0.001 0.000 0.280 190 A C 1.195 178.893 177.584 0.191 0.000 1.464 190 A CA 1.262 53.460 52.037 0.270 0.000 0.804 190 A CB -2.591 16.637 19.000 0.379 0.000 1.020 190 A HN 1.363 nan 8.150 nan 0.000 0.563 191 C N -2.657 116.722 119.300 0.132 0.000 2.517 191 C HA 0.706 5.165 4.460 -0.001 0.000 0.357 191 C C 2.064 177.131 174.990 0.129 0.000 1.485 191 C CA -0.341 58.734 59.018 0.096 0.000 2.148 191 C CB 0.061 27.824 27.740 0.038 0.000 2.019 191 C HN 0.901 nan 8.230 nan 0.000 0.576 192 L N 1.758 123.069 121.223 0.146 0.000 2.010 192 L HA -0.070 4.269 4.340 -0.001 0.000 0.219 192 L C -0.266 176.807 176.870 0.337 0.000 1.077 192 L CA 2.752 57.699 54.840 0.177 0.000 0.773 192 L CB -2.265 39.791 42.059 -0.005 0.000 0.892 192 L HN 0.551 nan 8.230 nan 0.000 0.436 193 P HA -0.110 nan 4.420 nan 0.000 0.217 193 P C 1.361 178.808 177.300 0.246 0.000 1.150 193 P CA 1.189 64.424 63.100 0.225 0.000 0.832 193 P CB -0.046 31.671 31.700 0.030 0.000 0.787 194 N N -0.300 118.519 118.700 0.198 0.000 2.188 194 N HA -0.160 4.580 4.740 -0.001 0.000 0.184 194 N C 1.681 177.307 175.510 0.194 0.000 1.018 194 N CA 1.352 54.509 53.050 0.178 0.000 0.858 194 N CB -0.447 38.137 38.487 0.162 0.000 0.989 194 N HN 0.149 nan 8.380 nan 0.000 0.426 195 Q N -1.287 118.637 119.800 0.206 0.000 2.181 195 Q HA -0.091 4.248 4.340 -0.001 0.000 0.205 195 Q C 1.537 177.605 176.000 0.114 0.000 0.980 195 Q CA 1.272 57.153 55.803 0.130 0.000 0.862 195 Q CB -0.153 28.629 28.738 0.074 0.000 0.905 195 Q HN 0.380 nan 8.270 nan 0.000 0.429 196 F N -0.095 119.903 119.950 0.081 0.000 2.234 196 F HA -0.082 4.444 4.527 -0.001 0.000 0.296 196 F C 1.813 177.667 175.800 0.090 0.000 1.089 196 F CA 0.798 58.855 58.000 0.096 0.000 1.343 196 F CB -0.076 39.039 39.000 0.193 0.000 1.040 196 F HN 0.008 nan 8.300 nan 0.000 0.498 197 L N -0.677 120.716 121.223 0.283 0.000 2.093 197 L HA -0.015 4.324 4.340 -0.001 0.000 0.208 197 L C 1.407 178.338 176.870 0.102 0.000 1.085 197 L CA 0.358 55.303 54.840 0.175 0.000 0.755 197 L CB -0.912 41.236 42.059 0.148 0.000 0.904 197 L HN -0.005 nan 8.230 nan 0.000 0.435 198 A N -0.033 122.839 122.820 0.086 0.000 2.363 198 A HA 0.292 4.611 4.320 -0.001 0.000 0.270 198 A C 1.423 179.019 177.584 0.019 0.000 1.121 198 A CA 0.193 52.256 52.037 0.042 0.000 0.800 198 A CB 0.408 19.436 19.000 0.047 0.000 1.052 198 A HN 0.396 nan 8.150 nan 0.000 0.493 199 T N 0.874 115.430 114.554 0.004 0.000 2.746 199 T HA -0.111 4.238 4.350 -0.001 0.000 0.267 199 T C 1.848 176.541 174.700 -0.013 0.000 1.039 199 T CA 1.693 63.789 62.100 -0.007 0.000 1.142 199 T CB -0.752 68.108 68.868 -0.013 0.000 0.866 199 T HN 0.895 nan 8.240 nan 0.000 0.444 200 G N 1.536 110.332 108.800 -0.006 0.000 2.448 200 G HA2 -0.126 3.833 3.960 -0.001 0.000 0.219 200 G HA3 -0.126 3.833 3.960 -0.001 0.000 0.219 200 G C 1.709 176.599 174.900 -0.015 0.000 1.127 200 G CA 1.473 46.569 45.100 -0.007 0.000 0.766 200 G HN 0.721 nan 8.290 nan 0.000 0.552 201 T N -3.353 111.190 114.554 -0.018 0.000 3.001 201 T HA 0.191 4.541 4.350 -0.001 0.000 0.251 201 T C 0.595 175.236 174.700 -0.098 0.000 1.040 201 T CA -0.230 61.845 62.100 -0.042 0.000 0.985 201 T CB 0.203 69.062 68.868 -0.015 0.000 1.011 201 T HN 0.249 nan 8.240 nan 0.000 0.509 202 N N 1.016 119.664 118.700 -0.087 0.000 2.518 202 N HA 0.273 5.012 4.740 -0.001 0.000 0.254 202 N C 0.330 175.789 175.510 -0.085 0.000 0.979 202 N CA -0.771 52.200 53.050 -0.131 0.000 0.930 202 N CB 0.482 38.913 38.487 -0.093 0.000 1.152 202 N HN -0.067 nan 8.380 nan 0.000 0.505 203 R N 2.309 122.750 120.500 -0.098 0.000 2.509 203 R HA 0.180 4.519 4.340 -0.001 0.000 0.300 203 R C 0.004 176.269 176.300 -0.058 0.000 0.985 203 R CA -0.240 55.821 56.100 -0.064 0.000 1.092 203 R CB 0.082 30.346 30.300 -0.060 0.000 1.237 203 R HN 0.519 nan 8.270 nan 0.000 0.546 204 R N 1.001 121.458 120.500 -0.071 0.000 2.698 204 R HA -0.009 4.331 4.340 -0.001 0.000 0.266 204 R C 0.943 177.238 176.300 -0.007 0.000 1.026 204 R CA 0.989 57.065 56.100 -0.039 0.000 1.102 204 R CB 0.299 30.586 30.300 -0.023 0.000 0.978 204 R HN 0.082 nan 8.270 nan 0.000 0.436 205 T N -3.218 111.337 114.554 0.001 0.000 3.044 205 T HA 0.006 4.356 4.350 -0.001 0.000 0.260 205 T C 0.352 175.061 174.700 0.014 0.000 1.019 205 T CA -0.405 61.697 62.100 0.003 0.000 0.921 205 T CB -0.087 68.778 68.868 -0.005 0.000 1.053 205 T HN 0.647 nan 8.240 nan 0.000 0.533 206 D N 1.688 122.112 120.400 0.039 0.000 2.453 206 D HA 0.011 4.651 4.640 -0.001 0.000 0.282 206 D C 1.530 177.843 176.300 0.023 0.000 1.222 206 D CA -0.573 53.457 54.000 0.050 0.000 1.079 206 D CB 0.261 41.126 40.800 0.108 0.000 1.128 206 D HN 0.166 nan 8.370 nan 0.000 0.568 207 Q N -0.928 118.850 119.800 -0.037 0.000 2.515 207 Q HA -0.121 4.219 4.340 -0.001 0.000 0.212 207 Q C 0.054 175.882 176.000 -0.288 0.000 0.970 207 Q CA 0.825 56.516 55.803 -0.186 0.000 0.941 207 Q CB -0.507 28.058 28.738 -0.288 0.000 0.998 207 Q HN 0.578 nan 8.270 nan 0.000 0.518 208 Y N 0.375 120.729 120.300 0.089 0.000 2.708 208 Y HA 0.556 5.106 4.550 -0.001 0.000 0.287 208 Y C 0.850 176.843 175.900 0.155 0.000 1.145 208 Y CA 0.087 58.285 58.100 0.164 0.000 1.249 208 Y CB 0.975 39.583 38.460 0.246 0.000 1.152 208 Y HN 0.212 nan 8.280 nan 0.000 0.532 209 G N -2.498 106.394 108.800 0.154 0.000 2.523 209 G HA2 0.452 4.411 3.960 -0.001 0.000 0.291 209 G HA3 0.452 4.411 3.960 -0.001 0.000 0.291 209 G C 0.275 175.193 174.900 0.030 0.000 1.450 209 G CA -0.110 45.044 45.100 0.090 0.000 0.790 209 G HN 0.362 nan 8.290 nan 0.000 0.496 210 G N -1.037 107.769 108.800 0.010 0.000 2.349 210 G HA2 0.179 4.139 3.960 -0.001 0.000 0.213 210 G HA3 0.179 4.139 3.960 -0.001 0.000 0.213 210 G C 0.702 175.590 174.900 -0.020 0.000 1.044 210 G CA 1.124 46.219 45.100 -0.008 0.000 0.633 210 G HN 2.426 nan 8.290 nan 0.000 0.506 211 S N -0.481 115.203 115.700 -0.027 0.000 2.685 211 S HA 0.779 5.248 4.470 -0.001 0.000 0.282 211 S C 1.092 175.647 174.600 -0.075 0.000 1.159 211 S CA -0.309 57.858 58.200 -0.054 0.000 0.833 211 S CB 1.330 64.489 63.200 -0.070 0.000 1.151 211 S HN 0.236 nan 8.310 nan 0.000 0.485 212 I N 1.380 121.871 120.570 -0.132 0.000 2.163 212 I HA -0.152 4.018 4.170 -0.001 0.000 0.243 212 I C 2.326 178.258 176.117 -0.309 0.000 1.085 212 I CA 1.840 63.018 61.300 -0.203 0.000 1.347 212 I CB -1.718 36.109 38.000 -0.289 0.000 1.044 212 I HN 0.740 nan 8.210 nan 0.000 0.408 213 E N 0.814 120.780 120.200 -0.388 0.000 2.110 213 E HA -0.172 4.177 4.350 -0.001 0.000 0.193 213 E C 1.921 178.474 176.600 -0.078 0.000 0.988 213 E CA 1.264 57.473 56.400 -0.318 0.000 0.804 213 E CB -0.485 29.089 29.700 -0.210 0.000 0.745 213 E HN 0.583 nan 8.360 nan 0.000 0.458 214 N N 0.236 118.903 118.700 -0.054 0.000 2.135 214 N HA -0.049 4.690 4.740 -0.001 0.000 0.186 214 N C 1.716 177.301 175.510 0.125 0.000 1.027 214 N CA 0.484 53.540 53.050 0.009 0.000 0.849 214 N CB -0.026 38.460 38.487 -0.002 0.000 1.002 214 N HN 0.034 nan 8.380 nan 0.000 0.425 215 R N 0.701 121.269 120.500 0.114 0.000 2.159 215 R HA -0.032 4.308 4.340 -0.001 0.000 0.237 215 R C 1.599 178.047 176.300 0.246 0.000 1.131 215 R CA 1.012 57.233 56.100 0.202 0.000 0.982 215 R CB -0.090 30.284 30.300 0.124 0.000 0.868 215 R HN 0.212 nan 8.270 nan 0.000 0.453 216 A N 0.442 123.374 122.820 0.186 0.000 2.308 216 A HA 0.048 4.367 4.320 -0.001 0.000 0.217 216 A C 1.921 179.612 177.584 0.179 0.000 1.216 216 A CA -0.162 51.997 52.037 0.202 0.000 0.864 216 A CB -0.096 19.091 19.000 0.312 0.000 0.902 216 A HN 0.137 nan 8.150 nan 0.000 0.499 217 R N -0.806 119.816 120.500 0.202 0.000 2.080 217 R HA -0.192 4.148 4.340 -0.001 0.000 0.236 217 R C 1.874 178.326 176.300 0.253 0.000 1.137 217 R CA 2.208 58.422 56.100 0.190 0.000 0.943 217 R CB -0.482 29.866 30.300 0.080 0.000 0.846 217 R HN 0.492 nan 8.270 nan 0.000 0.431 218 F N 1.615 121.678 119.950 0.188 0.000 2.102 218 F HA -0.004 4.522 4.527 -0.001 0.000 0.298 218 F C -1.239 174.425 175.800 -0.225 0.000 1.105 218 F CA 0.848 58.773 58.000 -0.126 0.000 1.239 218 F CB -1.164 37.418 39.000 -0.696 0.000 0.991 218 F HN 0.045 nan 8.300 nan 0.000 0.474 219 P HA -0.192 nan 4.420 nan 0.000 0.216 219 P C 2.105 179.154 177.300 -0.418 0.000 1.153 219 P CA 1.942 64.708 63.100 -0.557 0.000 0.858 219 P CB -0.155 31.418 31.700 -0.211 0.000 0.789 220 L N -0.810 120.286 121.223 -0.211 0.000 2.201 220 L HA -0.136 4.203 4.340 -0.001 0.000 0.212 220 L C 2.278 179.048 176.870 -0.167 0.000 1.105 220 L CA 1.348 56.098 54.840 -0.149 0.000 0.775 220 L CB -0.778 41.253 42.059 -0.046 0.000 0.913 220 L HN 0.039 nan 8.230 nan 0.000 0.440 221 E N -0.424 119.670 120.200 -0.177 0.000 2.106 221 E HA -0.162 4.188 4.350 -0.001 0.000 0.192 221 E C 2.287 178.747 176.600 -0.234 0.000 0.984 221 E CA 0.960 57.283 56.400 -0.128 0.000 0.806 221 E CB 0.047 29.740 29.700 -0.012 0.000 0.750 221 E HN 0.251 nan 8.360 nan 0.000 0.458 222 V N 0.785 120.413 119.914 -0.477 0.000 2.307 222 V HA -0.232 3.887 4.120 -0.001 0.000 0.245 222 V C 2.325 178.198 176.094 -0.368 0.000 1.045 222 V CA 1.297 63.255 62.300 -0.570 0.000 1.024 222 V CB -0.318 30.848 31.823 -1.095 0.000 0.651 222 V HN 0.132 nan 8.190 nan 0.000 0.449 223 V N 0.357 120.069 119.914 -0.338 0.000 2.287 223 V HA -0.298 3.822 4.120 -0.001 0.000 0.248 223 V C 2.297 178.305 176.094 -0.144 0.000 1.053 223 V CA 2.362 64.525 62.300 -0.229 0.000 1.027 223 V CB -0.765 30.936 31.823 -0.203 0.000 0.646 223 V HN 0.565 nan 8.190 nan 0.000 0.447 224 D N 0.203 120.530 120.400 -0.120 0.000 2.144 224 D HA -0.116 4.524 4.640 -0.001 0.000 0.199 224 D C 2.227 178.502 176.300 -0.042 0.000 0.984 224 D CA 1.602 55.563 54.000 -0.066 0.000 0.834 224 D CB -0.419 40.352 40.800 -0.048 0.000 0.955 224 D HN 0.443 nan 8.370 nan 0.000 0.465 225 A N 0.862 123.650 122.820 -0.053 0.000 1.865 225 A HA -0.179 4.141 4.320 -0.001 0.000 0.217 225 A C 2.502 180.098 177.584 0.020 0.000 1.191 225 A CA 2.553 54.584 52.037 -0.009 0.000 0.623 225 A CB -0.990 18.008 19.000 -0.003 0.000 0.826 225 A HN 0.242 nan 8.150 nan 0.000 0.444 226 V N -2.697 117.217 119.914 0.001 0.000 2.548 226 V HA 0.073 4.193 4.120 -0.001 0.000 0.249 226 V C 2.454 178.595 176.094 0.078 0.000 1.055 226 V CA 1.716 64.046 62.300 0.050 0.000 1.065 226 V CB -1.305 30.513 31.823 -0.008 0.000 0.681 226 V HN 0.541 nan 8.190 nan 0.000 0.462 227 A N 0.304 123.135 122.820 0.019 0.000 2.067 227 A HA -0.114 4.206 4.320 -0.001 0.000 0.219 227 A C 2.094 179.710 177.584 0.053 0.000 1.158 227 A CA 1.552 53.609 52.037 0.034 0.000 0.661 227 A CB -0.554 18.439 19.000 -0.013 0.000 0.801 227 A HN 0.704 nan 8.150 nan 0.000 0.452 228 E N -0.427 119.799 120.200 0.043 0.000 2.208 228 E HA -0.076 4.273 4.350 -0.001 0.000 0.193 228 E C 1.776 178.401 176.600 0.041 0.000 0.988 228 E CA 1.108 57.529 56.400 0.034 0.000 0.828 228 E CB -0.089 29.627 29.700 0.027 0.000 0.763 228 E HN 0.481 nan 8.360 nan 0.000 0.478 229 V N -0.041 119.919 119.914 0.077 0.000 2.331 229 V HA -0.118 4.002 4.120 -0.001 0.000 0.242 229 V C 1.651 177.737 176.094 -0.013 0.000 1.034 229 V CA 1.377 63.706 62.300 0.047 0.000 1.027 229 V CB -0.304 31.590 31.823 0.119 0.000 0.667 229 V HN 0.164 nan 8.190 nan 0.000 0.457 230 F N 0.472 120.419 119.950 -0.005 0.000 2.619 230 F HA 0.497 5.023 4.527 -0.001 0.000 0.293 230 F C 1.382 177.176 175.800 -0.009 0.000 1.119 230 F CA 0.927 58.925 58.000 -0.004 0.000 1.445 230 F CB 0.203 39.195 39.000 -0.013 0.000 1.119 230 F HN 0.322 nan 8.300 nan 0.000 0.573 231 G N 0.974 109.861 108.800 0.146 0.000 2.879 231 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.686 231 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.686 231 G C -1.934 173.009 174.900 0.072 0.000 1.115 231 G CA -0.551 44.595 45.100 0.077 0.000 0.770 231 G HN 0.012 nan 8.290 nan 0.000 0.601 232 P HA -0.130 nan 4.420 nan 0.000 0.217 232 P C 1.229 178.532 177.300 0.005 0.000 1.148 232 P CA 1.776 64.877 63.100 0.001 0.000 0.828 232 P CB 0.155 31.850 31.700 -0.009 0.000 0.783 233 E N -0.600 119.615 120.200 0.025 0.000 2.333 233 E HA -0.122 4.227 4.350 -0.001 0.000 0.198 233 E C 1.498 178.132 176.600 0.056 0.000 1.007 233 E CA 0.864 57.285 56.400 0.034 0.000 0.845 233 E CB -0.394 29.326 29.700 0.034 0.000 0.766 233 E HN 0.128 nan 8.360 nan 0.000 0.507 234 R N 0.143 120.689 120.500 0.077 0.000 2.613 234 R HA 0.285 4.625 4.340 -0.001 0.000 0.361 234 R C -0.852 175.435 176.300 -0.022 0.000 1.072 234 R CA -0.171 55.991 56.100 0.104 0.000 1.089 234 R CB 0.593 31.058 30.300 0.276 0.000 1.343 234 R HN -0.043 nan 8.270 nan 0.000 0.571 235 V N -0.532 119.325 119.914 -0.096 0.000 2.604 235 V HA 0.803 4.923 4.120 -0.001 0.000 0.305 235 V C 0.396 176.230 176.094 -0.432 0.000 1.043 235 V CA -0.920 61.236 62.300 -0.240 0.000 0.888 235 V CB 2.138 33.859 31.823 -0.171 0.000 0.995 235 V HN 0.323 nan 8.190 nan 0.000 0.429 236 G N 2.729 111.145 108.800 -0.639 0.000 2.658 236 G HA2 0.837 4.797 3.960 -0.001 0.000 0.292 236 G HA3 0.837 4.797 3.960 -0.001 0.000 0.292 236 G C -1.741 172.749 174.900 -0.683 0.000 1.320 236 G CA -0.627 43.722 45.100 -1.251 0.000 0.933 236 G HN 0.739 nan 8.290 nan 0.000 0.476 237 I N -0.397 119.815 120.570 -0.596 0.000 2.656 237 I HA 0.629 4.798 4.170 -0.001 0.000 0.292 237 I C -0.660 175.326 176.117 -0.218 0.000 1.144 237 I CA -1.096 60.014 61.300 -0.316 0.000 1.038 237 I CB 2.182 40.001 38.000 -0.302 0.000 1.244 237 I HN 0.508 nan 8.210 nan 0.000 0.420 238 R N 7.135 127.549 120.500 -0.143 0.000 2.407 238 R HA 0.784 5.123 4.340 -0.001 0.000 0.303 238 R C -1.770 174.451 176.300 -0.131 0.000 0.981 238 R CA -0.479 55.515 56.100 -0.177 0.000 0.905 238 R CB 1.201 31.347 30.300 -0.257 0.000 1.099 238 R HN 0.639 nan 8.270 nan 0.000 0.459 239 L N 2.091 123.204 121.223 -0.183 0.000 2.393 239 L HA 0.511 4.851 4.340 -0.001 0.000 0.260 239 L C -0.407 176.568 176.870 0.175 0.000 1.002 239 L CA -0.888 53.945 54.840 -0.011 0.000 0.818 239 L CB 2.689 44.713 42.059 -0.058 0.000 1.369 239 L HN 0.751 nan 8.230 nan 0.000 0.412 240 T N -2.470 112.229 114.554 0.242 0.000 3.542 240 T HA 0.309 4.658 4.350 -0.001 0.000 0.276 240 T C -2.365 172.489 174.700 0.256 0.000 1.412 240 T CA -1.333 60.945 62.100 0.295 0.000 1.664 240 T CB 0.786 69.790 68.868 0.228 0.000 0.863 240 T HN 0.201 nan 8.240 nan 0.000 0.661 241 P HA -0.167 nan 4.420 nan 0.000 0.208 241 P C 0.604 177.812 177.300 -0.155 0.000 0.999 241 P CA 1.419 64.533 63.100 0.022 0.000 0.988 241 P CB -0.094 31.620 31.700 0.022 0.000 0.745 242 F N -1.853 118.137 119.950 0.066 0.000 2.697 242 F HA 0.176 4.703 4.527 -0.001 0.000 0.297 242 F C 0.926 176.734 175.800 0.013 0.000 1.203 242 F CA -0.361 57.639 58.000 0.000 0.000 1.421 242 F CB -0.756 38.206 39.000 -0.062 0.000 1.033 242 F HN -0.097 nan 8.300 nan 0.000 0.512 243 L N 1.161 122.481 121.223 0.161 0.000 2.264 243 L HA 0.332 4.671 4.340 -0.001 0.000 0.289 243 L C -0.102 176.832 176.870 0.107 0.000 1.044 243 L CA -0.359 54.564 54.840 0.140 0.000 0.807 243 L CB 0.790 42.951 42.059 0.169 0.000 1.192 243 L HN 0.049 nan 8.230 nan 0.000 0.425 244 E N 5.654 125.902 120.200 0.080 0.000 2.070 244 E HA 0.351 4.700 4.350 -0.001 0.000 0.261 244 E C -1.298 175.322 176.600 0.035 0.000 0.926 244 E CA -0.440 55.994 56.400 0.056 0.000 0.760 244 E CB 1.282 31.000 29.700 0.029 0.000 1.133 244 E HN 0.374 nan 8.360 nan 0.000 0.420 245 L N 2.323 123.587 121.223 0.069 0.000 2.370 245 L HA 0.421 4.761 4.340 -0.001 0.000 0.266 245 L C -0.665 176.268 176.870 0.106 0.000 1.002 245 L CA -0.361 54.478 54.840 -0.003 0.000 0.818 245 L CB 0.801 42.894 42.059 0.057 0.000 1.325 245 L HN 0.495 nan 8.230 nan 0.000 0.418 246 F N 3.823 123.830 119.950 0.095 0.000 3.004 246 F HA -0.104 4.423 4.527 -0.001 0.000 0.264 246 F C 1.489 177.323 175.800 0.056 0.000 0.979 246 F CA 1.204 59.255 58.000 0.085 0.000 0.896 246 F CB -1.853 37.218 39.000 0.117 0.000 0.813 246 F HN 0.806 nan 8.300 nan 0.000 0.804 247 G N -0.210 108.671 108.800 0.135 0.000 2.175 247 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.265 247 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.265 247 G C 0.239 175.189 174.900 0.083 0.000 0.979 247 G CA 0.214 45.367 45.100 0.090 0.000 0.663 247 G HN 0.770 nan 8.290 nan 0.000 0.533 248 L N 1.749 123.037 121.223 0.109 0.000 2.349 248 L HA 0.707 5.046 4.340 -0.001 0.000 0.275 248 L C 0.778 177.684 176.870 0.059 0.000 1.115 248 L CA 0.307 55.201 54.840 0.090 0.000 0.820 248 L CB 1.143 43.278 42.059 0.127 0.000 1.135 248 L HN 0.398 nan 8.230 nan 0.000 0.445 249 T N 0.156 114.734 114.554 0.039 0.000 2.906 249 T HA 0.586 4.936 4.350 -0.001 0.000 0.295 249 T C -1.195 173.514 174.700 0.014 0.000 1.075 249 T CA -0.842 61.273 62.100 0.025 0.000 1.005 249 T CB 2.019 70.896 68.868 0.015 0.000 1.136 249 T HN 0.561 nan 8.240 nan 0.000 0.498 250 D N -0.484 119.917 120.400 0.002 0.000 2.990 250 D HA 0.398 5.038 4.640 -0.001 0.000 0.227 250 D C -0.396 175.888 176.300 -0.027 0.000 1.249 250 D CA -0.502 53.487 54.000 -0.018 0.000 0.891 250 D CB 2.207 42.981 40.800 -0.043 0.000 1.647 250 D HN 0.457 nan 8.370 nan 0.000 0.530 251 D N 1.652 122.036 120.400 -0.027 0.000 2.366 251 D HA 0.054 4.693 4.640 -0.001 0.000 0.205 251 D C -0.118 176.158 176.300 -0.040 0.000 1.022 251 D CA 0.527 54.514 54.000 -0.023 0.000 0.868 251 D CB 0.599 41.390 40.800 -0.016 0.000 0.953 251 D HN 0.495 nan 8.370 nan 0.000 0.514 252 E N 0.432 120.594 120.200 -0.063 0.000 3.659 252 E HA 0.152 4.501 4.350 -0.001 0.000 0.217 252 E C -1.938 174.569 176.600 -0.155 0.000 1.141 252 E CA -1.249 55.100 56.400 -0.085 0.000 1.340 252 E CB 1.524 31.189 29.700 -0.057 0.000 1.295 252 E HN 0.023 nan 8.360 nan 0.000 0.434 253 P HA -0.217 nan 4.420 nan 0.000 0.213 253 P C 1.364 178.338 177.300 -0.544 0.000 1.170 253 P CA 1.071 63.833 63.100 -0.563 0.000 0.898 253 P CB 0.383 31.407 31.700 -1.127 0.000 0.787 254 E N -0.476 119.442 120.200 -0.470 0.000 2.031 254 E HA -0.193 4.156 4.350 -0.001 0.000 0.193 254 E C 2.025 178.404 176.600 -0.369 0.000 0.994 254 E CA 1.218 57.426 56.400 -0.321 0.000 0.800 254 E CB -0.627 28.935 29.700 -0.229 0.000 0.752 254 E HN 0.008 nan 8.360 nan 0.000 0.447 255 A N 0.666 123.339 122.820 -0.245 0.000 1.948 255 A HA -0.257 4.063 4.320 -0.001 0.000 0.220 255 A C 2.104 179.720 177.584 0.052 0.000 1.177 255 A CA 2.048 54.027 52.037 -0.097 0.000 0.636 255 A CB -0.564 18.404 19.000 -0.053 0.000 0.815 255 A HN 0.412 nan 8.150 nan 0.000 0.449 256 M N -0.196 119.421 119.600 0.027 0.000 2.156 256 M HA 0.126 4.605 4.480 -0.001 0.000 0.264 256 M C 2.160 178.597 176.300 0.229 0.000 1.067 256 M CA 1.666 57.045 55.300 0.131 0.000 1.131 256 M CB -0.567 32.072 32.600 0.066 0.000 1.368 256 M HN 0.340 nan 8.290 nan 0.000 0.416 257 A N -0.258 122.687 122.820 0.208 0.000 1.940 257 A HA -0.140 4.179 4.320 -0.001 0.000 0.219 257 A C 1.915 179.804 177.584 0.509 0.000 1.176 257 A CA 1.661 53.929 52.037 0.386 0.000 0.631 257 A CB -1.162 18.167 19.000 0.548 0.000 0.814 257 A HN 0.546 nan 8.150 nan 0.000 0.446 258 F N -1.720 118.359 119.950 0.215 0.000 2.146 258 F HA -0.059 4.468 4.527 -0.001 0.000 0.298 258 F C 2.199 178.093 175.800 0.158 0.000 1.096 258 F CA 0.459 58.558 58.000 0.164 0.000 1.275 258 F CB -1.426 37.671 39.000 0.161 0.000 1.008 258 F HN 0.469 nan 8.300 nan 0.000 0.480 259 Y N 0.360 120.827 120.300 0.278 0.000 2.114 259 Y HA -0.206 4.344 4.550 -0.001 0.000 0.284 259 Y C 2.294 178.272 175.900 0.131 0.000 1.143 259 Y CA 1.615 59.815 58.100 0.165 0.000 1.135 259 Y CB -0.479 38.052 38.460 0.118 0.000 0.980 259 Y HN -0.053 nan 8.280 nan 0.000 0.499 260 L N -0.073 121.200 121.223 0.083 0.000 2.012 260 L HA -0.284 4.055 4.340 -0.001 0.000 0.210 260 L C 2.859 179.700 176.870 -0.048 0.000 1.073 260 L CA 1.266 56.082 54.840 -0.040 0.000 0.748 260 L CB -1.079 41.022 42.059 0.070 0.000 0.891 260 L HN 0.402 nan 8.230 nan 0.000 0.431 261 A N 0.281 123.139 122.820 0.063 0.000 1.903 261 A HA -0.229 4.090 4.320 -0.001 0.000 0.219 261 A C 2.369 180.021 177.584 0.114 0.000 1.191 261 A CA 2.166 54.262 52.037 0.098 0.000 0.638 261 A CB -1.413 17.667 19.000 0.133 0.000 0.823 261 A HN 0.493 nan 8.150 nan 0.000 0.451 262 G N -0.988 107.819 108.800 0.011 0.000 2.402 262 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.216 262 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.216 262 G C 1.416 176.262 174.900 -0.090 0.000 1.162 262 G CA 0.924 46.004 45.100 -0.034 0.000 0.777 262 G HN 0.486 nan 8.290 nan 0.000 0.539 263 E N 0.385 120.448 120.200 -0.227 0.000 2.106 263 E HA 0.014 4.364 4.350 -0.001 0.000 0.192 263 E C 2.661 179.206 176.600 -0.091 0.000 0.984 263 E CA 0.396 56.658 56.400 -0.229 0.000 0.806 263 E CB -0.204 29.242 29.700 -0.422 0.000 0.750 263 E HN 0.435 nan 8.360 nan 0.000 0.458 264 L N 1.073 122.279 121.223 -0.028 0.000 2.179 264 L HA -0.106 4.233 4.340 -0.001 0.000 0.208 264 L C 2.408 179.410 176.870 0.220 0.000 1.096 264 L CA 0.969 55.851 54.840 0.069 0.000 0.779 264 L CB -0.286 41.785 42.059 0.020 0.000 0.922 264 L HN 0.088 nan 8.230 nan 0.000 0.443 265 D N 0.599 121.144 120.400 0.242 0.000 2.117 265 D HA -0.235 4.404 4.640 -0.001 0.000 0.198 265 D C 2.228 178.488 176.300 -0.067 0.000 0.982 265 D CA 0.965 54.970 54.000 0.009 0.000 0.828 265 D CB 0.285 41.065 40.800 -0.034 0.000 0.967 265 D HN 0.059 nan 8.370 nan 0.000 0.464 266 R N 1.214 121.693 120.500 -0.036 0.000 2.096 266 R HA -0.042 4.298 4.340 -0.001 0.000 0.235 266 R C 2.304 178.579 176.300 -0.042 0.000 1.127 266 R CA 1.321 57.392 56.100 -0.048 0.000 0.968 266 R CB -0.431 29.841 30.300 -0.046 0.000 0.861 266 R HN 0.115 nan 8.270 nan 0.000 0.440 267 R N -0.944 119.539 120.500 -0.028 0.000 2.235 267 R HA 0.111 4.451 4.340 -0.001 0.000 0.213 267 R C 0.668 176.952 176.300 -0.026 0.000 1.059 267 R CA 0.790 56.875 56.100 -0.025 0.000 0.997 267 R CB -0.002 30.283 30.300 -0.025 0.000 0.884 267 R HN 0.481 nan 8.270 nan 0.000 0.462 268 G N 1.469 110.248 108.800 -0.035 0.000 2.248 268 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.263 268 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.263 268 G C -0.016 174.873 174.900 -0.018 0.000 1.082 268 G CA -0.327 44.737 45.100 -0.061 0.000 0.863 268 G HN 0.152 nan 8.290 nan 0.000 0.495 269 L N -0.522 120.736 121.223 0.058 0.000 2.483 269 L HA 0.324 4.664 4.340 -0.001 0.000 0.276 269 L C 2.158 179.104 176.870 0.127 0.000 1.213 269 L CA 0.353 55.239 54.840 0.076 0.000 0.843 269 L CB 0.605 42.712 42.059 0.080 0.000 1.107 269 L HN 0.391 nan 8.230 nan 0.000 0.487 270 A N 3.661 126.502 122.820 0.036 0.000 1.902 270 A HA -0.107 4.212 4.320 -0.001 0.000 0.217 270 A C 0.310 178.067 177.584 0.288 0.000 1.181 270 A CA 1.726 53.829 52.037 0.109 0.000 0.623 270 A CB -0.229 18.825 19.000 0.090 0.000 0.818 270 A HN 0.771 nan 8.150 nan 0.000 0.443 271 Y N -4.563 115.826 120.300 0.149 0.000 2.713 271 Y HA 0.664 5.214 4.550 -0.001 0.000 0.335 271 Y C -1.532 174.235 175.900 -0.222 0.000 1.222 271 Y CA -2.058 56.099 58.100 0.095 0.000 1.061 271 Y CB 0.517 38.971 38.460 -0.009 0.000 1.314 271 Y HN -0.039 nan 8.280 nan 0.000 0.453 272 L N 2.685 123.847 121.223 -0.101 0.000 2.356 272 L HA 0.464 4.803 4.340 -0.001 0.000 0.277 272 L C -1.047 175.661 176.870 -0.271 0.000 0.996 272 L CA -0.701 53.849 54.840 -0.485 0.000 0.822 272 L CB 1.932 43.425 42.059 -0.943 0.000 1.256 272 L HN 0.916 nan 8.230 nan 0.000 0.413 273 H N 3.517 122.357 119.070 -0.382 0.000 2.551 273 H HA 0.450 5.005 4.556 -0.001 0.000 0.321 273 H C -1.451 173.581 175.328 -0.494 0.000 1.028 273 H CA -0.732 55.127 56.048 -0.316 0.000 1.215 273 H CB 1.028 30.758 29.762 -0.053 0.000 1.414 273 H HN 0.356 nan 8.280 nan 0.000 0.480 274 F N 3.342 123.265 119.950 -0.045 0.000 2.420 274 F HA 0.148 4.674 4.527 -0.001 0.000 0.342 274 F C 0.385 176.240 175.800 0.092 0.000 1.113 274 F CA -0.850 57.134 58.000 -0.027 0.000 1.059 274 F CB 1.213 40.140 39.000 -0.122 0.000 1.128 274 F HN 0.557 nan 8.300 nan 0.000 0.475 275 N N 3.081 121.937 118.700 0.259 0.000 2.546 275 N HA 0.117 4.856 4.740 -0.001 0.000 0.238 275 N C -0.708 174.973 175.510 0.285 0.000 0.984 275 N CA -0.399 52.759 53.050 0.181 0.000 0.935 275 N CB 0.354 38.861 38.487 0.034 0.000 1.122 275 N HN 0.565 nan 8.380 nan 0.000 0.510 276 E N 3.142 123.528 120.200 0.310 0.000 2.502 276 E HA -0.034 4.315 4.350 -0.001 0.000 0.261 276 E C -1.372 175.207 176.600 -0.035 0.000 0.974 276 E CA -1.030 55.431 56.400 0.102 0.000 0.936 276 E CB 0.782 30.531 29.700 0.082 0.000 0.926 276 E HN 0.549 nan 8.360 nan 0.000 0.459 277 P HA -0.113 nan 4.420 nan 0.000 0.226 277 P C -0.458 176.852 177.300 0.016 0.000 1.153 277 P CA 0.648 63.728 63.100 -0.033 0.000 0.777 277 P CB 0.232 31.884 31.700 -0.080 0.000 0.794 278 D N -0.393 119.950 120.400 -0.095 0.000 2.319 278 D HA 0.039 4.679 4.640 -0.001 0.000 0.235 278 D C -0.065 176.322 176.300 0.146 0.000 1.304 278 D CA 0.895 54.880 54.000 -0.024 0.000 0.894 278 D CB 0.117 40.845 40.800 -0.120 0.000 1.183 278 D HN 0.109 nan 8.370 nan 0.000 0.472 279 W N 0.622 121.873 121.300 -0.082 0.000 3.953 279 W HA 0.134 4.793 4.660 -0.000 0.000 0.286 279 W C -0.313 176.177 176.519 -0.048 0.000 1.256 279 W CA -0.669 56.646 57.345 -0.050 0.000 1.244 279 W CB 0.734 30.174 29.460 -0.034 0.000 1.262 279 W HN 0.323 nan 8.180 nan 0.000 0.522 280 I N 3.474 124.128 120.570 0.140 0.000 3.164 280 I HA 0.033 4.203 4.170 -0.001 0.000 0.278 280 I C 1.289 177.513 176.117 0.178 0.000 1.320 280 I CA 1.656 63.020 61.300 0.106 0.000 1.422 280 I CB -0.478 37.547 38.000 0.042 0.000 1.066 280 I HN 0.461 nan 8.210 nan 0.000 0.503 281 G N -0.457 108.536 108.800 0.321 0.000 4.729 281 G HA2 0.579 4.538 3.960 -0.001 0.000 0.258 281 G HA3 0.579 4.538 3.960 -0.001 0.000 0.258 281 G C 0.072 175.008 174.900 0.061 0.000 1.188 281 G CA 0.073 45.281 45.100 0.181 0.000 0.866 281 G HN 0.638 nan 8.290 nan 0.000 0.562 282 G N 0.118 108.953 108.800 0.059 0.000 2.280 282 G HA2 0.351 4.311 3.960 -0.001 0.000 0.277 282 G HA3 0.351 4.311 3.960 -0.001 0.000 0.277 282 G C -0.764 174.143 174.900 0.013 0.000 1.288 282 G CA 0.000 45.087 45.100 -0.022 0.000 1.075 282 G HN 0.881 nan 8.290 nan 0.000 0.480 283 D N -1.201 119.172 120.400 -0.045 0.000 10.852 283 D HA -0.149 4.490 4.640 -0.001 0.000 0.361 283 D C 0.704 176.994 176.300 -0.017 0.000 3.101 283 D CA 1.321 55.312 54.000 -0.014 0.000 2.575 283 D CB -0.235 40.618 40.800 0.089 0.000 1.168 283 D HN 1.319 nan 8.370 nan 0.000 0.953 284 I N -2.152 118.402 120.570 -0.026 0.000 3.640 284 I HA 0.746 4.916 4.170 -0.001 0.000 0.288 284 I C 0.664 176.722 176.117 -0.098 0.000 1.248 284 I CA -0.018 61.250 61.300 -0.052 0.000 0.911 284 I CB 0.796 38.771 38.000 -0.041 0.000 1.533 284 I HN 0.526 nan 8.210 nan 0.000 0.686 285 T N -0.722 113.742 114.554 -0.151 0.000 2.864 285 T HA 0.521 4.870 4.350 -0.001 0.000 0.299 285 T C -1.096 173.416 174.700 -0.313 0.000 1.166 285 T CA -0.332 61.633 62.100 -0.226 0.000 1.007 285 T CB 0.722 69.506 68.868 -0.141 0.000 1.219 285 T HN 0.330 nan 8.240 nan 0.000 0.506 286 Y N 2.096 122.223 120.300 -0.289 0.000 2.683 286 Y HA 0.278 4.828 4.550 -0.001 0.000 0.340 286 Y C -1.696 173.950 175.900 -0.423 0.000 1.245 286 Y CA -1.262 56.536 58.100 -0.504 0.000 1.485 286 Y CB -0.368 37.974 38.460 -0.197 0.000 1.328 286 Y HN 0.441 nan 8.280 nan 0.000 0.603 287 P HA 0.035 nan 4.420 nan 0.000 0.276 287 P C -0.547 176.757 177.300 0.008 0.000 1.230 287 P CA -0.506 62.486 63.100 -0.181 0.000 0.776 287 P CB 0.406 31.988 31.700 -0.197 0.000 0.888 288 E N 2.533 122.738 120.200 0.008 0.000 2.585 288 E HA 0.085 4.434 4.350 -0.001 0.000 0.252 288 E C 0.797 177.436 176.600 0.067 0.000 0.981 288 E CA 0.780 57.199 56.400 0.033 0.000 0.943 288 E CB -0.815 28.893 29.700 0.015 0.000 0.923 288 E HN 0.782 nan 8.360 nan 0.000 0.486 289 G N 4.005 112.844 108.800 0.067 0.000 2.176 289 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.232 289 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.232 289 G C 0.229 175.195 174.900 0.109 0.000 0.986 289 G CA 0.150 45.289 45.100 0.064 0.000 0.643 289 G HN 0.638 nan 8.290 nan 0.000 0.522 290 F N 1.571 121.515 119.950 -0.010 0.000 2.113 290 F HA 0.154 4.680 4.527 -0.001 0.000 0.297 290 F C 2.656 178.409 175.800 -0.078 0.000 1.103 290 F CA 2.152 60.156 58.000 0.006 0.000 1.248 290 F CB -0.255 38.686 39.000 -0.099 0.000 0.999 290 F HN 0.172 nan 8.300 nan 0.000 0.475 291 R N 0.115 120.478 120.500 -0.229 0.000 2.083 291 R HA -0.178 4.161 4.340 -0.001 0.000 0.237 291 R C 1.982 178.128 176.300 -0.257 0.000 1.137 291 R CA 1.805 57.707 56.100 -0.330 0.000 0.951 291 R CB -0.554 29.589 30.300 -0.260 0.000 0.851 291 R HN 0.237 nan 8.270 nan 0.000 0.434 292 E N 0.654 120.750 120.200 -0.174 0.000 2.058 292 E HA -0.189 4.161 4.350 -0.001 0.000 0.194 292 E C 2.112 178.604 176.600 -0.179 0.000 0.997 292 E CA 1.139 57.452 56.400 -0.146 0.000 0.801 292 E CB -0.131 29.509 29.700 -0.099 0.000 0.746 292 E HN 0.242 nan 8.360 nan 0.000 0.450 293 Q N -0.593 119.075 119.800 -0.220 0.000 2.061 293 Q HA -0.133 4.207 4.340 -0.001 0.000 0.204 293 Q C 2.137 177.907 176.000 -0.383 0.000 0.984 293 Q CA 1.108 56.716 55.803 -0.325 0.000 0.846 293 Q CB -0.215 28.299 28.738 -0.373 0.000 0.902 293 Q HN 0.346 nan 8.270 nan 0.000 0.421 294 M N 0.058 119.409 119.600 -0.416 0.000 2.117 294 M HA -0.170 4.309 4.480 -0.001 0.000 0.262 294 M C 2.156 178.410 176.300 -0.078 0.000 1.065 294 M CA 1.368 56.500 55.300 -0.281 0.000 1.114 294 M CB -0.863 31.513 32.600 -0.373 0.000 1.361 294 M HN 0.063 nan 8.290 nan 0.000 0.408 295 R N 0.714 121.164 120.500 -0.084 0.000 2.105 295 R HA -0.147 4.193 4.340 -0.001 0.000 0.239 295 R C 1.981 178.256 176.300 -0.042 0.000 1.135 295 R CA 1.772 57.860 56.100 -0.020 0.000 0.967 295 R CB -0.344 29.920 30.300 -0.060 0.000 0.861 295 R HN 0.524 nan 8.270 nan 0.000 0.442 296 Q N -0.912 118.830 119.800 -0.097 0.000 2.269 296 Q HA 0.019 4.358 4.340 -0.001 0.000 0.201 296 Q C 1.998 177.940 176.000 -0.096 0.000 0.946 296 Q CA 1.059 56.802 55.803 -0.100 0.000 0.877 296 Q CB 0.152 28.817 28.738 -0.121 0.000 0.963 296 Q HN 0.306 nan 8.270 nan 0.000 0.472 297 R N -0.682 119.753 120.500 -0.108 0.000 2.173 297 R HA 0.074 4.414 4.340 -0.001 0.000 0.208 297 R C -0.058 176.271 176.300 0.048 0.000 1.035 297 R CA 0.371 56.423 56.100 -0.078 0.000 1.004 297 R CB 0.371 30.570 30.300 -0.169 0.000 0.917 297 R HN 0.011 nan 8.270 nan 0.000 0.462 298 F N 1.208 121.111 119.950 -0.078 0.000 2.445 298 F HA 0.289 4.816 4.527 -0.001 0.000 0.348 298 F C 0.388 176.172 175.800 -0.027 0.000 1.125 298 F CA -0.973 57.004 58.000 -0.039 0.000 0.983 298 F CB 1.298 40.297 39.000 -0.000 0.000 1.198 298 F HN -0.371 nan 8.300 nan 0.000 0.436 299 K N 3.530 123.633 120.400 -0.496 0.000 2.365 299 K HA 0.188 4.507 4.320 -0.001 0.000 0.197 299 K C 1.177 177.532 176.600 -0.407 0.000 1.042 299 K CA 0.471 56.551 56.287 -0.345 0.000 0.987 299 K CB -0.158 32.185 32.500 -0.262 0.000 0.779 299 K HN 0.767 nan 8.250 nan 0.000 0.484 300 G N 0.475 108.721 108.800 -0.923 0.000 2.486 300 G HA2 0.293 4.252 3.960 -0.001 0.000 0.272 300 G HA3 0.293 4.252 3.960 -0.001 0.000 0.272 300 G C -0.093 174.897 174.900 0.151 0.000 1.426 300 G CA -0.242 44.614 45.100 -0.408 0.000 1.058 300 G HN 0.191 nan 8.290 nan 0.000 0.531 301 G N -1.134 107.868 108.800 0.337 0.000 2.406 301 G HA2 0.457 4.417 3.960 -0.001 0.000 0.251 301 G HA3 0.457 4.417 3.960 -0.001 0.000 0.251 301 G C -0.538 174.562 174.900 0.334 0.000 1.271 301 G CA -0.430 44.843 45.100 0.289 0.000 0.859 301 G HN 0.402 nan 8.290 nan 0.000 0.540 302 L N 2.660 124.007 121.223 0.207 0.000 2.319 302 L HA 0.417 4.757 4.340 -0.001 0.000 0.281 302 L C -0.759 176.140 176.870 0.048 0.000 1.005 302 L CA -0.723 54.210 54.840 0.154 0.000 0.828 302 L CB 1.584 43.807 42.059 0.273 0.000 1.227 302 L HN 0.308 nan 8.230 nan 0.000 0.415 303 I N 3.291 123.792 120.570 -0.115 0.000 2.441 303 I HA 0.432 4.602 4.170 -0.001 0.000 0.295 303 I C -0.697 175.335 176.117 -0.141 0.000 0.994 303 I CA -0.266 60.926 61.300 -0.180 0.000 1.144 303 I CB 1.489 39.194 38.000 -0.492 0.000 1.314 303 I HN 0.239 nan 8.210 nan 0.000 0.445 304 Y N 3.913 124.243 120.300 0.049 0.000 2.536 304 Y HA 0.705 5.254 4.550 -0.001 0.000 0.347 304 Y C -0.168 175.781 175.900 0.081 0.000 1.000 304 Y CA -0.471 57.741 58.100 0.188 0.000 1.051 304 Y CB 2.183 40.739 38.460 0.160 0.000 1.259 304 Y HN 0.655 nan 8.280 nan 0.000 0.468 305 C N 1.166 120.717 119.300 0.419 0.000 2.994 305 C HA 0.893 5.352 4.460 -0.001 0.000 0.305 305 C C -0.319 174.861 174.990 0.316 0.000 1.251 305 C CA 0.064 59.254 59.018 0.287 0.000 1.478 305 C CB 1.089 28.982 27.740 0.255 0.000 1.922 305 C HN 1.232 nan 8.230 nan 0.000 0.472 306 G N 4.997 113.915 108.800 0.196 0.000 2.951 306 G HA2 0.089 4.049 3.960 -0.001 0.000 0.508 306 G HA3 0.089 4.049 3.960 -0.001 0.000 0.508 306 G C -0.322 174.458 174.900 -0.200 0.000 1.203 306 G CA -0.044 45.045 45.100 -0.018 0.000 1.209 306 G HN 1.348 nan 8.290 nan 0.000 0.552 307 N N -0.911 117.686 118.700 -0.171 0.000 2.735 307 N HA -0.196 4.543 4.740 -0.001 0.000 0.248 307 N C -0.154 175.245 175.510 -0.185 0.000 1.083 307 N CA 1.448 54.392 53.050 -0.176 0.000 0.703 307 N CB -0.992 37.352 38.487 -0.239 0.000 1.005 307 N HN 0.636 nan 8.380 nan 0.000 0.550 308 Y N 1.103 121.396 120.300 -0.012 0.000 2.310 308 Y HA 0.260 4.810 4.550 -0.000 0.000 0.326 308 Y C 1.156 177.259 175.900 0.338 0.000 1.151 308 Y CA -0.459 57.664 58.100 0.038 0.000 1.195 308 Y CB 0.910 39.225 38.460 -0.241 0.000 1.210 308 Y HN 0.131 nan 8.280 nan 0.000 0.483 309 D N 0.533 121.183 120.400 0.417 0.000 2.654 309 D HA 0.448 5.088 4.640 -0.001 0.000 0.255 309 D C 0.632 176.896 176.300 -0.059 0.000 1.101 309 D CA -0.433 53.691 54.000 0.206 0.000 1.116 309 D CB 0.937 41.775 40.800 0.063 0.000 1.348 309 D HN 0.518 nan 8.370 nan 0.000 0.609 310 A N 0.059 122.483 122.820 -0.660 0.000 1.865 310 A HA 0.014 4.333 4.320 -0.001 0.000 0.217 310 A C 2.050 179.461 177.584 -0.288 0.000 1.191 310 A CA 2.556 54.097 52.037 -0.826 0.000 0.623 310 A CB -1.632 16.779 19.000 -0.981 0.000 0.826 310 A HN 0.683 nan 8.150 nan 0.000 0.444 311 G N -0.841 107.860 108.800 -0.165 0.000 2.421 311 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.216 311 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.216 311 G C 1.768 176.668 174.900 0.000 0.000 1.171 311 G CA 0.877 45.938 45.100 -0.065 0.000 0.775 311 G HN 0.550 nan 8.290 nan 0.000 0.543 312 R N 0.395 120.934 120.500 0.065 0.000 2.148 312 R HA 0.109 4.448 4.340 -0.001 0.000 0.227 312 R C 2.981 179.407 176.300 0.210 0.000 1.103 312 R CA 0.842 57.036 56.100 0.158 0.000 0.983 312 R CB -0.257 30.160 30.300 0.195 0.000 0.874 312 R HN 0.364 nan 8.270 nan 0.000 0.451 313 A N 1.008 123.922 122.820 0.157 0.000 1.877 313 A HA -0.243 4.077 4.320 -0.001 0.000 0.216 313 A C 2.110 179.663 177.584 -0.051 0.000 1.186 313 A CA 1.395 53.419 52.037 -0.022 0.000 0.620 313 A CB -0.432 18.622 19.000 0.090 0.000 0.822 313 A HN 0.170 nan 8.150 nan 0.000 0.443 314 Q N 0.024 119.796 119.800 -0.047 0.000 2.135 314 Q HA -0.068 4.272 4.340 -0.001 0.000 0.204 314 Q C 1.989 177.982 176.000 -0.011 0.000 0.981 314 Q CA 2.094 57.866 55.803 -0.051 0.000 0.856 314 Q CB -0.682 28.015 28.738 -0.067 0.000 0.902 314 Q HN 0.569 nan 8.270 nan 0.000 0.425 315 A N 0.503 123.327 122.820 0.006 0.000 1.883 315 A HA -0.215 4.104 4.320 -0.001 0.000 0.217 315 A C 2.009 179.598 177.584 0.008 0.000 1.186 315 A CA 1.661 53.709 52.037 0.018 0.000 0.624 315 A CB -0.497 18.523 19.000 0.034 0.000 0.822 315 A HN 0.284 nan 8.150 nan 0.000 0.444 316 R N -0.192 120.305 120.500 -0.005 0.000 2.120 316 R HA -0.026 4.313 4.340 -0.001 0.000 0.234 316 R C 2.037 178.322 176.300 -0.024 0.000 1.123 316 R CA 1.077 57.150 56.100 -0.044 0.000 0.975 316 R CB -1.113 29.123 30.300 -0.106 0.000 0.866 316 R HN 0.615 nan 8.270 nan 0.000 0.446 317 L N 0.722 121.946 121.223 0.002 0.000 2.056 317 L HA -0.170 4.169 4.340 -0.001 0.000 0.207 317 L C 1.770 178.733 176.870 0.154 0.000 1.078 317 L CA 1.298 56.177 54.840 0.065 0.000 0.749 317 L CB -0.499 41.582 42.059 0.038 0.000 0.901 317 L HN 0.080 nan 8.230 nan 0.000 0.433 318 D N 0.034 120.504 120.400 0.117 0.000 2.144 318 D HA -0.163 4.476 4.640 -0.001 0.000 0.200 318 D C 1.585 177.928 176.300 0.072 0.000 0.978 318 D CA 1.107 55.215 54.000 0.179 0.000 0.833 318 D CB -0.226 40.632 40.800 0.097 0.000 0.961 318 D HN 0.309 nan 8.370 nan 0.000 0.470 319 D N 0.363 120.748 120.400 -0.025 0.000 2.371 319 D HA -0.109 4.531 4.640 -0.001 0.000 0.221 319 D C 0.482 176.636 176.300 -0.243 0.000 0.986 319 D CA 0.317 54.250 54.000 -0.111 0.000 0.899 319 D CB -0.320 40.428 40.800 -0.086 0.000 0.902 319 D HN 0.113 nan 8.370 nan 0.000 0.530 320 N N -0.176 118.356 118.700 -0.280 0.000 2.758 320 N HA -0.185 4.555 4.740 -0.001 0.000 0.248 320 N C 0.291 175.675 175.510 -0.209 0.000 1.076 320 N CA 1.245 54.045 53.050 -0.416 0.000 0.696 320 N CB -1.456 36.446 38.487 -0.975 0.000 0.979 320 N HN 0.270 nan 8.380 nan 0.000 0.550 321 T N -3.915 110.569 114.554 -0.118 0.000 3.040 321 T HA 0.697 5.047 4.350 -0.001 0.000 0.266 321 T C 0.380 175.102 174.700 0.036 0.000 1.005 321 T CA 0.314 62.363 62.100 -0.084 0.000 0.906 321 T CB 0.684 69.454 68.868 -0.163 0.000 1.082 321 T HN 0.647 nan 8.240 nan 0.000 0.531 322 A N 0.232 123.088 122.820 0.061 0.000 2.594 322 A HA 0.654 4.973 4.320 -0.001 0.000 0.295 322 A C -0.516 177.131 177.584 0.104 0.000 1.071 322 A CA -0.628 51.508 52.037 0.164 0.000 0.685 322 A CB 1.150 20.233 19.000 0.138 0.000 1.285 322 A HN 0.032 nan 8.150 nan 0.000 0.405 323 D N 0.049 120.510 120.400 0.101 0.000 2.388 323 D HA 0.434 5.074 4.640 -0.001 0.000 0.208 323 D C 0.588 176.900 176.300 0.019 0.000 1.035 323 D CA 1.561 55.601 54.000 0.067 0.000 0.875 323 D CB 1.088 41.930 40.800 0.070 0.000 0.984 323 D HN 0.898 nan 8.370 nan 0.000 0.508 324 A N 0.018 122.833 122.820 -0.008 0.000 2.601 324 A HA 0.576 4.896 4.320 -0.001 0.000 0.291 324 A C -1.596 175.934 177.584 -0.090 0.000 1.075 324 A CA -0.519 51.488 52.037 -0.050 0.000 0.671 324 A CB 1.555 20.504 19.000 -0.085 0.000 1.277 324 A HN -0.124 nan 8.150 nan 0.000 0.417 325 V N 0.618 120.475 119.914 -0.095 0.000 2.588 325 V HA 0.727 4.847 4.120 -0.001 0.000 0.304 325 V C 0.482 176.452 176.094 -0.206 0.000 1.042 325 V CA -0.153 61.999 62.300 -0.247 0.000 0.877 325 V CB 1.504 33.065 31.823 -0.438 0.000 0.996 325 V HN 1.607 nan 8.190 nan 0.000 0.425 326 A N 4.345 126.994 122.820 -0.285 0.000 2.293 326 A HA 0.921 5.240 4.320 -0.001 0.000 0.302 326 A C -1.100 176.302 177.584 -0.303 0.000 1.119 326 A CA -0.193 51.771 52.037 -0.121 0.000 0.823 326 A CB 0.510 19.467 19.000 -0.070 0.000 1.097 326 A HN 0.653 nan 8.150 nan 0.000 0.491 327 F N 0.513 120.607 119.950 0.241 0.000 2.539 327 F HA 0.527 5.053 4.527 -0.001 0.000 0.318 327 F C 1.079 177.019 175.800 0.234 0.000 1.135 327 F CA 0.055 58.206 58.000 0.252 0.000 0.915 327 F CB 2.445 41.595 39.000 0.249 0.000 1.176 327 F HN 0.736 nan 8.300 nan 0.000 0.440 328 G N 2.309 111.253 108.800 0.239 0.000 2.618 328 G HA2 0.037 3.997 3.960 -0.001 0.000 0.222 328 G HA3 0.037 3.997 3.960 -0.001 0.000 0.222 328 G C 1.421 176.354 174.900 0.054 0.000 1.520 328 G CA -0.096 45.072 45.100 0.113 0.000 0.930 328 G HN 0.537 nan 8.290 nan 0.000 0.547 329 R N 1.075 121.557 120.500 -0.031 0.000 2.096 329 R HA -0.102 4.238 4.340 -0.001 0.000 0.240 329 R C -0.057 176.211 176.300 -0.054 0.000 1.139 329 R CA 2.050 58.086 56.100 -0.107 0.000 0.952 329 R CB -1.126 29.159 30.300 -0.025 0.000 0.854 329 R HN 0.321 nan 8.270 nan 0.000 0.436 330 P HA -0.155 nan 4.420 nan 0.000 0.218 330 P C 0.743 177.931 177.300 -0.187 0.000 1.148 330 P CA 1.172 64.235 63.100 -0.062 0.000 0.822 330 P CB 0.013 31.730 31.700 0.028 0.000 0.784 331 F N -1.192 118.683 119.950 -0.125 0.000 2.558 331 F HA -0.040 4.486 4.527 -0.001 0.000 0.298 331 F C 1.974 177.619 175.800 -0.259 0.000 1.119 331 F CA 0.573 58.463 58.000 -0.184 0.000 1.451 331 F CB -0.424 38.519 39.000 -0.095 0.000 1.091 331 F HN -0.173 nan 8.300 nan 0.000 0.563 332 I N -0.383 120.129 120.570 -0.097 0.000 2.233 332 I HA -0.136 4.033 4.170 -0.001 0.000 0.243 332 I C 2.517 178.229 176.117 -0.676 0.000 1.093 332 I CA 1.347 62.506 61.300 -0.234 0.000 1.380 332 I CB -1.651 36.167 38.000 -0.303 0.000 1.067 332 I HN 0.029 nan 8.210 nan 0.000 0.413 333 A N 0.012 122.363 122.820 -0.783 0.000 2.178 333 A HA 0.039 4.359 4.320 -0.001 0.000 0.211 333 A C 0.400 177.603 177.584 -0.636 0.000 1.157 333 A CA 0.376 51.637 52.037 -1.293 0.000 0.780 333 A CB -0.567 18.103 19.000 -0.549 0.000 0.828 333 A HN 0.487 nan 8.150 nan 0.000 0.476 334 N N -0.171 118.266 118.700 -0.439 0.000 2.609 334 N HA 0.270 5.009 4.740 -0.001 0.000 0.268 334 N C -2.414 172.892 175.510 -0.340 0.000 1.106 334 N CA -1.269 51.564 53.050 -0.362 0.000 0.823 334 N CB 2.048 40.297 38.487 -0.397 0.000 1.263 334 N HN -0.022 nan 8.380 nan 0.000 0.533 335 P HA -0.138 nan 4.420 nan 0.000 0.221 335 P C -0.341 176.912 177.300 -0.077 0.000 1.145 335 P CA 1.404 64.339 63.100 -0.274 0.000 0.795 335 P CB 0.213 31.488 31.700 -0.709 0.000 0.775 336 D N -0.858 119.449 120.400 -0.155 0.000 3.008 336 D HA 0.045 4.685 4.640 -0.001 0.000 0.312 336 D C 1.344 177.478 176.300 -0.277 0.000 1.361 336 D CA -0.762 53.212 54.000 -0.043 0.000 0.858 336 D CB -0.510 40.374 40.800 0.140 0.000 1.098 336 D HN -0.062 nan 8.370 nan 0.000 0.482 337 L N 1.002 121.880 121.223 -0.575 0.000 2.013 337 L HA -0.062 4.277 4.340 -0.001 0.000 0.212 337 L C -0.839 175.489 176.870 -0.903 0.000 1.073 337 L CA 2.292 56.536 54.840 -0.994 0.000 0.753 337 L CB -1.201 39.861 42.059 -1.662 0.000 0.890 337 L HN 0.052 nan 8.230 nan 0.000 0.432 338 P HA -0.201 nan 4.420 nan 0.000 0.215 338 P C 1.416 178.700 177.300 -0.026 0.000 1.153 338 P CA 1.569 64.618 63.100 -0.084 0.000 0.853 338 P CB 0.043 31.801 31.700 0.097 0.000 0.788 339 E N -0.039 120.085 120.200 -0.127 0.000 2.106 339 E HA -0.158 4.191 4.350 -0.001 0.000 0.192 339 E C 2.011 178.534 176.600 -0.128 0.000 0.984 339 E CA 1.254 57.569 56.400 -0.142 0.000 0.806 339 E CB -0.492 29.151 29.700 -0.096 0.000 0.750 339 E HN 0.040 nan 8.360 nan 0.000 0.458 340 R N -0.901 119.489 120.500 -0.184 0.000 2.115 340 R HA -0.069 4.270 4.340 -0.001 0.000 0.230 340 R C 1.857 178.175 176.300 0.029 0.000 1.111 340 R CA 1.199 57.215 56.100 -0.141 0.000 0.976 340 R CB -0.261 29.881 30.300 -0.263 0.000 0.870 340 R HN 0.222 nan 8.270 nan 0.000 0.445 341 F N 0.606 120.533 119.950 -0.039 0.000 2.206 341 F HA 0.003 4.529 4.527 -0.001 0.000 0.298 341 F C 2.423 178.328 175.800 0.176 0.000 1.090 341 F CA 0.695 58.731 58.000 0.060 0.000 1.323 341 F CB -0.624 38.425 39.000 0.083 0.000 1.028 341 F HN -0.063 nan 8.300 nan 0.000 0.492 342 R N 0.525 121.158 120.500 0.222 0.000 2.081 342 R HA -0.116 4.223 4.340 -0.001 0.000 0.235 342 R C 1.865 178.143 176.300 -0.037 0.000 1.131 342 R CA 1.290 57.294 56.100 -0.159 0.000 0.960 342 R CB -0.373 29.454 30.300 -0.787 0.000 0.856 342 R HN 0.276 nan 8.270 nan 0.000 0.436 343 L N -0.378 120.827 121.223 -0.030 0.000 2.558 343 L HA 0.196 4.535 4.340 -0.001 0.000 0.225 343 L C 1.100 177.990 176.870 0.032 0.000 1.128 343 L CA 0.477 55.308 54.840 -0.014 0.000 0.868 343 L CB 0.187 42.226 42.059 -0.033 0.000 1.006 343 L HN 0.590 nan 8.230 nan 0.000 0.454 344 G N 0.866 109.715 108.800 0.083 0.000 2.198 344 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.260 344 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.260 344 G C 0.451 175.393 174.900 0.069 0.000 1.025 344 G CA 0.244 45.400 45.100 0.093 0.000 0.769 344 G HN 0.517 nan 8.290 nan 0.000 0.507 345 A N -0.301 122.550 122.820 0.051 0.000 2.406 345 A HA 0.822 5.142 4.320 -0.001 0.000 0.243 345 A C 1.164 178.767 177.584 0.032 0.000 1.082 345 A CA 0.832 52.885 52.037 0.026 0.000 0.786 345 A CB 0.374 19.374 19.000 -0.000 0.000 1.029 345 A HN 2.137 nan 8.150 nan 0.000 0.495 346 A N 0.792 123.626 122.820 0.023 0.000 2.425 346 A HA 0.523 4.843 4.320 -0.001 0.000 0.242 346 A C 0.103 177.689 177.584 0.003 0.000 1.077 346 A CA -0.077 51.974 52.037 0.024 0.000 0.781 346 A CB -0.155 18.859 19.000 0.024 0.000 1.020 346 A HN 0.788 nan 8.150 nan 0.000 0.494 347 L N 1.521 122.747 121.223 0.006 0.000 2.344 347 L HA 0.285 4.625 4.340 -0.001 0.000 0.272 347 L C 0.422 177.289 176.870 -0.006 0.000 1.035 347 L CA -0.565 54.256 54.840 -0.031 0.000 0.807 347 L CB 1.122 43.161 42.059 -0.032 0.000 1.237 347 L HN 0.809 nan 8.230 nan 0.000 0.442 348 N N 0.587 119.278 118.700 -0.016 0.000 2.453 348 N HA 0.060 4.799 4.740 -0.001 0.000 0.253 348 N C -0.514 175.039 175.510 0.072 0.000 1.252 348 N CA -0.307 52.775 53.050 0.054 0.000 0.917 348 N CB 0.652 39.208 38.487 0.115 0.000 1.117 348 N HN 0.464 nan 8.380 nan 0.000 0.442 349 E N 1.721 121.996 120.200 0.124 0.000 2.194 349 E HA 0.255 4.605 4.350 -0.001 0.000 0.284 349 E C -2.410 174.322 176.600 0.219 0.000 1.035 349 E CA -1.922 54.556 56.400 0.129 0.000 0.836 349 E CB 0.577 30.337 29.700 0.100 0.000 1.070 349 E HN 0.235 nan 8.360 nan 0.000 0.401 350 P HA 0.083 nan 4.420 nan 0.000 0.267 350 P C -1.022 176.440 177.300 0.270 0.000 1.200 350 P CA -0.011 63.268 63.100 0.299 0.000 0.772 350 P CB 0.497 32.388 31.700 0.318 0.000 0.855 351 D N 2.645 123.243 120.400 0.330 0.000 2.462 351 D HA 0.241 4.880 4.640 -0.001 0.000 0.249 351 D C -1.922 174.090 176.300 -0.481 0.000 1.117 351 D CA -2.470 51.544 54.000 0.023 0.000 0.900 351 D CB 0.673 41.530 40.800 0.094 0.000 1.039 351 D HN 0.009 nan 8.370 nan 0.000 0.516 352 P HA -0.181 nan 4.420 nan 0.000 0.217 352 P C 1.448 178.299 177.300 -0.748 0.000 1.148 352 P CA 1.197 63.378 63.100 -1.532 0.000 0.828 352 P CB 0.178 31.490 31.700 -0.646 0.000 0.783 353 S N -1.219 114.276 115.700 -0.341 0.000 2.400 353 S HA -0.142 4.328 4.470 -0.001 0.000 0.232 353 S C 1.529 176.096 174.600 -0.056 0.000 1.025 353 S CA 1.865 59.987 58.200 -0.131 0.000 0.993 353 S CB -1.853 61.305 63.200 -0.070 0.000 0.808 353 S HN 0.297 nan 8.310 nan 0.000 0.478 354 T N -2.317 112.208 114.554 -0.048 0.000 3.248 354 T HA 0.438 4.788 4.350 -0.001 0.000 0.271 354 T C 0.603 175.429 174.700 0.210 0.000 1.005 354 T CA -0.601 61.544 62.100 0.076 0.000 0.902 354 T CB -0.432 68.485 68.868 0.082 0.000 1.102 354 T HN 0.145 nan 8.240 nan 0.000 0.548 355 F N 1.419 121.338 119.950 -0.052 0.000 2.259 355 F HA 0.318 4.844 4.527 -0.001 0.000 0.298 355 F C 0.328 175.833 175.800 -0.492 0.000 1.088 355 F CA -0.838 57.001 58.000 -0.270 0.000 1.358 355 F CB -0.417 38.346 39.000 -0.395 0.000 1.040 355 F HN 0.281 nan 8.300 nan 0.000 0.505 356 Y N -0.935 119.463 120.300 0.164 0.000 2.485 356 Y HA 0.558 5.108 4.550 -0.001 0.000 0.345 356 Y C 0.836 176.746 175.900 0.018 0.000 0.998 356 Y CA -0.974 57.144 58.100 0.030 0.000 1.059 356 Y CB 1.090 39.474 38.460 -0.126 0.000 1.234 356 Y HN 0.172 nan 8.280 nan 0.000 0.461 357 G N 0.722 109.665 108.800 0.238 0.000 2.752 357 G HA2 0.312 4.272 3.960 -0.001 0.000 0.234 357 G HA3 0.312 4.272 3.960 -0.001 0.000 0.234 357 G C 0.227 175.141 174.900 0.023 0.000 1.367 357 G CA -0.055 45.172 45.100 0.213 0.000 0.879 357 G HN 1.943 nan 8.290 nan 0.000 0.563 358 G N -2.010 106.776 108.800 -0.023 0.000 2.632 358 G HA2 0.442 4.401 3.960 -0.001 0.000 0.224 358 G HA3 0.442 4.401 3.960 -0.001 0.000 0.224 358 G C 0.647 175.462 174.900 -0.141 0.000 1.341 358 G CA 1.620 46.681 45.100 -0.066 0.000 0.880 358 G HN 2.722 nan 8.290 nan 0.000 0.566 359 A N -1.874 120.875 122.820 -0.118 0.000 3.191 359 A HA 0.787 5.106 4.320 -0.001 0.000 0.191 359 A C 1.758 179.291 177.584 -0.085 0.000 1.221 359 A CA 1.181 53.142 52.037 -0.127 0.000 1.399 359 A CB -0.309 18.652 19.000 -0.065 0.000 1.688 359 A HN 1.560 nan 8.150 nan 0.000 0.593 360 E N 0.961 121.175 120.200 0.024 0.000 2.285 360 E HA -0.022 4.327 4.350 -0.001 0.000 0.194 360 E C 0.830 177.498 176.600 0.112 0.000 0.997 360 E CA 1.176 57.655 56.400 0.132 0.000 0.845 360 E CB -1.322 28.443 29.700 0.109 0.000 0.782 360 E HN 0.709 nan 8.360 nan 0.000 0.491 361 V N -0.745 119.194 119.914 0.042 0.000 2.572 361 V HA 0.532 4.651 4.120 -0.001 0.000 0.291 361 V C 1.164 177.275 176.094 0.028 0.000 1.039 361 V CA 0.334 62.639 62.300 0.008 0.000 1.055 361 V CB 0.382 32.195 31.823 -0.016 0.000 0.969 361 V HN 0.376 nan 8.190 nan 0.000 0.482 362 G N 2.790 111.569 108.800 -0.036 0.000 2.155 362 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.257 362 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.257 362 G C 0.128 175.220 174.900 0.321 0.000 0.983 362 G CA 1.138 46.260 45.100 0.035 0.000 0.676 362 G HN 1.425 nan 8.290 nan 0.000 0.528 363 Y N 0.190 120.533 120.300 0.073 0.000 2.817 363 Y HA 0.273 4.822 4.550 -0.001 0.000 0.257 363 Y C 2.453 178.462 175.900 0.182 0.000 1.055 363 Y CA 2.101 60.235 58.100 0.056 0.000 1.319 363 Y CB 0.272 38.677 38.460 -0.093 0.000 1.481 363 Y HN 0.481 nan 8.280 nan 0.000 0.471 364 T N -2.446 112.201 114.554 0.155 0.000 3.145 364 T HA 0.170 4.520 4.350 -0.001 0.000 0.281 364 T C 0.124 174.870 174.700 0.077 0.000 1.003 364 T CA 0.334 62.479 62.100 0.076 0.000 0.901 364 T CB -0.179 68.727 68.868 0.064 0.000 1.112 364 T HN 0.331 nan 8.240 nan 0.000 0.535 365 D N -0.262 120.160 120.400 0.037 0.000 2.342 365 D HA 0.079 4.719 4.640 -0.001 0.000 0.221 365 D C -0.325 175.913 176.300 -0.104 0.000 1.101 365 D CA -0.603 53.373 54.000 -0.039 0.000 0.837 365 D CB -0.665 40.084 40.800 -0.084 0.000 0.938 365 D HN 0.460 nan 8.370 nan 0.000 0.508 366 Y N 2.148 122.418 120.300 -0.049 0.000 2.393 366 Y HA 0.261 4.810 4.550 -0.001 0.000 0.338 366 Y C -1.644 174.153 175.900 -0.172 0.000 1.029 366 Y CA -2.080 55.965 58.100 -0.092 0.000 1.239 366 Y CB 0.617 39.011 38.460 -0.111 0.000 1.170 366 Y HN -0.045 nan 8.280 nan 0.000 0.515 367 P HA 0.048 nan 4.420 nan 0.000 0.271 367 P C -0.807 176.462 177.300 -0.051 0.000 1.218 367 P CA 0.072 63.187 63.100 0.025 0.000 0.780 367 P CB 0.821 32.558 31.700 0.062 0.000 0.901 368 F N 0.277 120.243 119.950 0.027 0.000 2.368 368 F HA 0.274 4.801 4.527 -0.001 0.000 0.315 368 F C 1.362 177.158 175.800 -0.006 0.000 1.145 368 F CA -0.768 57.232 58.000 0.000 0.000 1.095 368 F CB 0.259 39.257 39.000 -0.004 0.000 1.286 368 F HN 0.073 nan 8.300 nan 0.000 0.530 369 L N 1.223 122.560 121.223 0.191 0.000 2.467 369 L HA 0.063 4.403 4.340 -0.001 0.000 0.270 369 L C -0.173 176.752 176.870 0.092 0.000 1.205 369 L CA 0.105 55.001 54.840 0.093 0.000 0.828 369 L CB 0.287 42.373 42.059 0.045 0.000 1.101 369 L HN 0.518 nan 8.230 nan 0.000 0.479 370 D N 1.868 122.306 120.400 0.062 0.000 2.460 370 D HA 0.066 4.706 4.640 -0.001 0.000 0.232 370 D C 0.476 176.804 176.300 0.048 0.000 1.079 370 D CA -0.475 53.557 54.000 0.054 0.000 0.864 370 D CB 0.774 41.604 40.800 0.050 0.000 1.048 370 D HN 0.488 nan 8.370 nan 0.000 0.523 371 N N 2.894 121.623 118.700 0.048 0.000 2.521 371 N HA 0.047 4.786 4.740 -0.001 0.000 0.188 371 N C 1.421 177.024 175.510 0.154 0.000 1.146 371 N CA 0.607 53.692 53.050 0.058 0.000 0.893 371 N CB 0.063 38.550 38.487 0.001 0.000 0.975 371 N HN 0.536 nan 8.380 nan 0.000 0.451 372 G N -0.838 108.036 108.800 0.124 0.000 2.179 372 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.260 372 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.260 372 G C 0.688 175.629 174.900 0.068 0.000 0.977 372 G CA 0.699 45.861 45.100 0.103 0.000 0.641 372 G HN 0.605 nan 8.290 nan 0.000 0.533 373 H N -0.223 118.836 119.070 -0.017 0.000 2.408 373 H HA 0.098 4.654 4.556 -0.001 0.000 0.271 373 H C 0.266 175.578 175.328 -0.026 0.000 0.957 373 H CA 0.029 56.064 56.048 -0.021 0.000 1.170 373 H CB 0.479 30.227 29.762 -0.023 0.000 1.458 373 H HN 0.338 nan 8.280 nan 0.000 0.491 374 D N 2.315 122.776 120.400 0.101 0.000 2.472 374 D HA 0.110 4.749 4.640 -0.001 0.000 0.237 374 D C 0.262 176.564 176.300 0.003 0.000 1.141 374 D CA 0.682 54.695 54.000 0.022 0.000 0.875 374 D CB 1.019 41.807 40.800 -0.020 0.000 1.192 374 D HN 0.216 nan 8.370 nan 0.000 0.450 375 R N 1.301 121.792 120.500 -0.014 0.000 2.673 375 R HA 0.414 4.754 4.340 -0.001 0.000 0.281 375 R C -0.017 176.266 176.300 -0.028 0.000 0.991 375 R CA -0.707 55.383 56.100 -0.017 0.000 0.896 375 R CB 1.542 31.834 30.300 -0.014 0.000 1.201 375 R HN 0.256 nan 8.270 nan 0.000 0.457 376 L N 1.906 123.115 121.223 -0.023 0.000 2.848 376 L HA 0.280 4.619 4.340 -0.001 0.000 0.240 376 L C 1.034 177.894 176.870 -0.016 0.000 1.232 376 L CA -0.306 54.519 54.840 -0.026 0.000 1.031 376 L CB 0.386 42.433 42.059 -0.020 0.000 1.338 376 L HN 0.775 nan 8.230 nan 0.000 0.509 377 G N 0.000 108.791 108.800 -0.014 0.000 5.446 377 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 377 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 377 G CA 0.000 45.094 45.100 -0.010 0.000 0.502 377 G HN 0.000 nan 8.290 nan 0.000 0.925