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 2jj0_1_M DATA FIRST_RESID 2 DATA SEQUENCE EYQNIFSQVQ VRGPADLGMT EDVNLANRSG VGPFSTLLGW FGNAQLGPIY DATA SEQUENCE LGSLGVLSLF SGLMWFFTIG IWFWYQAGWN PAVFLRDLFF FSLEPPAPEY DATA SEQUENCE GLSFAAPLKE GGLWLIASFF MFVAVWSWWG RTYLRAQALG MGKHTAWAFL DATA SEQUENCE SAIWLWMVLG FIRPILMGSW SEAVPYGIFS HLDWTNNFSL VHGNLFYNPF DATA SEQUENCE HGLSIAFLYG SALLFAMHGA TILAVSRFGG ERELEQIADR GTAAERWALF DATA SEQUENCE WRWTMGFNAT MEGIHRWAIW MAVLVTLTGG IGILLSGTVV DNWYVWGQNH DATA SEQUENCE G VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.644 176.600 0.073 0.000 1.382 2 E CA 0.000 56.423 56.400 0.039 0.000 0.976 2 E CB 0.000 29.732 29.700 0.054 0.000 0.812 3 Y N 3.785 124.077 120.300 -0.013 0.000 2.316 3 Y HA 0.305 4.861 4.550 0.010 0.000 0.331 3 Y C 0.934 176.823 175.900 -0.020 0.000 1.083 3 Y CA 0.339 58.435 58.100 -0.007 0.000 1.206 3 Y CB 1.034 39.492 38.460 -0.003 0.000 1.195 3 Y HN -0.086 nan 8.280 nan 0.000 0.497 4 Q N 3.404 122.717 119.800 -0.812 0.000 2.378 4 Q HA 0.016 4.362 4.340 0.010 0.000 0.216 4 Q C 0.262 175.827 176.000 -0.725 0.000 0.892 4 Q CA 0.552 55.998 55.803 -0.595 0.000 0.931 4 Q CB -0.005 28.553 28.738 -0.300 0.000 1.086 4 Q HN 0.922 nan 8.270 nan 0.000 0.528 5 N N -0.073 117.896 118.700 -1.218 0.000 2.776 5 N HA -0.151 4.595 4.740 0.010 0.000 0.249 5 N C 0.237 175.569 175.510 -0.297 0.000 1.111 5 N CA 0.308 53.011 53.050 -0.578 0.000 0.711 5 N CB -0.955 37.325 38.487 -0.345 0.000 1.065 5 N HN 0.165 nan 8.380 nan 0.000 0.556 6 I N -1.414 118.979 120.570 -0.295 0.000 2.494 6 I HA 0.106 4.282 4.170 0.010 0.000 0.250 6 I C 0.668 176.540 176.117 -0.409 0.000 1.112 6 I CA 1.039 62.123 61.300 -0.360 0.000 1.438 6 I CB -0.500 37.252 38.000 -0.412 0.000 1.111 6 I HN 0.018 nan 8.210 nan 0.000 0.431 7 F N 0.353 120.397 119.950 0.157 0.000 2.522 7 F HA 0.406 4.939 4.527 0.010 0.000 0.324 7 F C 0.878 176.876 175.800 0.330 0.000 1.077 7 F CA -0.951 57.210 58.000 0.269 0.000 0.944 7 F CB 1.113 40.258 39.000 0.241 0.000 1.175 7 F HN -0.324 nan 8.300 nan 0.000 0.468 8 S N 1.195 117.241 115.700 0.577 0.000 2.564 8 S HA 0.086 4.562 4.470 0.010 0.000 0.278 8 S C 0.860 175.749 174.600 0.483 0.000 1.333 8 S CA -0.512 57.959 58.200 0.450 0.000 1.048 8 S CB 1.046 64.438 63.200 0.319 0.000 0.900 8 S HN 0.683 nan 8.310 nan 0.000 0.505 9 Q N 0.730 120.684 119.800 0.257 0.000 2.212 9 Q HA 0.116 4.462 4.340 0.010 0.000 0.199 9 Q C -0.337 175.820 176.000 0.261 0.000 0.950 9 Q CA 0.641 56.543 55.803 0.166 0.000 0.863 9 Q CB 0.199 28.865 28.738 -0.120 0.000 0.944 9 Q HN 0.429 nan 8.270 nan 0.000 0.465 10 V N 1.420 121.435 119.914 0.170 0.000 2.612 10 V HA 0.195 4.321 4.120 0.010 0.000 0.301 10 V C -0.877 175.215 176.094 -0.004 0.000 1.059 10 V CA -0.878 61.474 62.300 0.087 0.000 0.886 10 V CB 1.838 33.676 31.823 0.024 0.000 1.007 10 V HN 0.116 nan 8.190 nan 0.000 0.426 11 Q N 2.504 122.229 119.800 -0.126 0.000 2.230 11 Q HA 0.769 5.116 4.340 0.010 0.000 0.248 11 Q C -0.515 175.406 176.000 -0.133 0.000 0.915 11 Q CA -0.665 55.027 55.803 -0.186 0.000 0.900 11 Q CB 2.604 31.120 28.738 -0.369 0.000 1.229 11 Q HN 0.768 nan 8.270 nan 0.000 0.439 12 V N -1.035 118.812 119.914 -0.111 0.000 2.914 12 V HA 0.772 4.899 4.120 0.010 0.000 0.314 12 V C -0.944 175.076 176.094 -0.123 0.000 1.084 12 V CA -1.058 61.180 62.300 -0.103 0.000 0.963 12 V CB 2.125 33.905 31.823 -0.071 0.000 1.025 12 V HN 0.819 nan 8.190 nan 0.000 0.432 13 R N 1.528 121.937 120.500 -0.152 0.000 2.621 13 R HA 0.761 5.107 4.340 0.010 0.000 0.284 13 R C -0.108 176.084 176.300 -0.180 0.000 0.998 13 R CA 0.112 56.085 56.100 -0.213 0.000 0.895 13 R CB 2.136 32.215 30.300 -0.369 0.000 1.195 13 R HN 1.223 nan 8.270 nan 0.000 0.450 14 G N 2.606 111.319 108.800 -0.146 0.000 3.075 14 G HA2 0.549 4.516 3.960 0.010 0.000 0.253 14 G HA3 0.549 4.516 3.960 0.010 0.000 0.253 14 G C -2.452 172.392 174.900 -0.094 0.000 1.353 14 G CA -1.167 43.873 45.100 -0.099 0.000 1.051 14 G HN 0.443 nan 8.290 nan 0.000 0.553 15 P HA 0.363 nan 4.420 nan 0.000 0.267 15 P C 0.032 177.387 177.300 0.092 0.000 1.200 15 P CA -0.047 63.060 63.100 0.012 0.000 0.772 15 P CB 0.565 32.271 31.700 0.010 0.000 0.855 16 A N 2.192 125.118 122.820 0.176 0.000 2.548 16 A HA 0.023 4.349 4.320 0.010 0.000 0.247 16 A C 0.432 178.088 177.584 0.119 0.000 1.067 16 A CA 0.179 52.372 52.037 0.261 0.000 0.757 16 A CB -0.404 18.725 19.000 0.215 0.000 0.996 16 A HN 0.498 nan 8.150 nan 0.000 0.504 17 D N 2.875 123.336 120.400 0.100 0.000 2.365 17 D HA 0.249 4.895 4.640 0.010 0.000 0.237 17 D C 0.818 177.126 176.300 0.015 0.000 1.190 17 D CA -0.034 53.993 54.000 0.044 0.000 0.867 17 D CB 0.537 41.359 40.800 0.038 0.000 1.050 17 D HN 0.496 nan 8.370 nan 0.000 0.491 18 L N 2.810 124.039 121.223 0.010 0.000 2.599 18 L HA 0.213 4.559 4.340 0.010 0.000 0.230 18 L C 1.432 178.300 176.870 -0.004 0.000 1.141 18 L CA 0.189 55.029 54.840 -0.000 0.000 0.877 18 L CB -0.711 41.349 42.059 0.003 0.000 1.009 18 L HN 0.580 nan 8.230 nan 0.000 0.447 19 G N 0.143 108.940 108.800 -0.006 0.000 2.710 19 G HA2 -0.175 3.791 3.960 0.010 0.000 0.668 19 G HA3 -0.175 3.791 3.960 0.010 0.000 0.668 19 G C -0.447 174.443 174.900 -0.017 0.000 1.320 19 G CA -0.892 44.199 45.100 -0.015 0.000 0.860 19 G HN -0.122 nan 8.290 nan 0.000 0.538 20 M N 0.439 120.023 119.600 -0.027 0.000 2.250 20 M HA 0.373 4.859 4.480 0.010 0.000 0.344 20 M C 1.562 177.844 176.300 -0.030 0.000 1.150 20 M CA 0.187 55.469 55.300 -0.030 0.000 1.147 20 M CB 0.528 33.103 32.600 -0.041 0.000 1.498 20 M HN 0.692 nan 8.290 nan 0.000 0.461 21 T N -0.118 114.420 114.554 -0.026 0.000 2.904 21 T HA 0.033 4.389 4.350 0.010 0.000 0.243 21 T C 0.716 175.396 174.700 -0.033 0.000 1.024 21 T CA 0.128 62.215 62.100 -0.021 0.000 1.158 21 T CB 0.194 69.054 68.868 -0.013 0.000 0.867 21 T HN 0.614 nan 8.240 nan 0.000 0.429 22 E N 1.079 121.257 120.200 -0.036 0.000 3.439 22 E HA -0.227 4.129 4.350 0.010 0.000 0.385 22 E C 0.312 176.889 176.600 -0.037 0.000 1.557 22 E CA 1.677 58.052 56.400 -0.042 0.000 1.684 22 E CB -1.250 28.415 29.700 -0.059 0.000 1.677 22 E HN 0.402 nan 8.360 nan 0.000 0.455 23 D N 0.930 121.300 120.400 -0.049 0.000 2.340 23 D HA 0.141 4.787 4.640 0.010 0.000 0.217 23 D C 0.052 176.328 176.300 -0.039 0.000 1.081 23 D CA 0.105 54.081 54.000 -0.041 0.000 0.842 23 D CB 0.303 41.075 40.800 -0.046 0.000 0.934 23 D HN -0.055 nan 8.370 nan 0.000 0.511 24 V N 2.287 122.173 119.914 -0.047 0.000 2.599 24 V HA -0.095 4.031 4.120 0.010 0.000 0.300 24 V C 0.801 176.931 176.094 0.060 0.000 1.034 24 V CA -0.300 61.980 62.300 -0.033 0.000 1.115 24 V CB 0.594 32.393 31.823 -0.039 0.000 0.934 24 V HN 0.115 nan 8.190 nan 0.000 0.485 25 N N 4.834 123.623 118.700 0.148 0.000 2.399 25 N HA 0.151 4.897 4.740 0.010 0.000 0.259 25 N C 0.618 176.226 175.510 0.163 0.000 1.160 25 N CA 0.081 53.220 53.050 0.148 0.000 0.946 25 N CB 0.517 39.091 38.487 0.145 0.000 1.156 25 N HN 0.616 nan 8.380 nan 0.000 0.489 26 L N 2.704 123.971 121.223 0.073 0.000 2.291 26 L HA -0.020 4.326 4.340 0.010 0.000 0.214 26 L C 2.177 179.033 176.870 -0.024 0.000 1.120 26 L CA 0.858 55.720 54.840 0.038 0.000 0.799 26 L CB -0.392 41.678 42.059 0.019 0.000 0.925 26 L HN 0.616 nan 8.230 nan 0.000 0.446 27 A N 0.126 122.923 122.820 -0.037 0.000 2.076 27 A HA -0.165 4.162 4.320 0.010 0.000 0.220 27 A C 1.798 179.296 177.584 -0.144 0.000 1.160 27 A CA 1.521 53.516 52.037 -0.070 0.000 0.653 27 A CB -0.366 18.603 19.000 -0.052 0.000 0.801 27 A HN 0.444 nan 8.150 nan 0.000 0.455 28 N N -0.587 117.960 118.700 -0.256 0.000 2.236 28 N HA 0.074 4.821 4.740 0.010 0.000 0.196 28 N C 0.052 175.222 175.510 -0.567 0.000 1.114 28 N CA 0.066 52.812 53.050 -0.506 0.000 0.859 28 N CB 0.229 38.169 38.487 -0.912 0.000 0.982 28 N HN 0.449 nan 8.380 nan 0.000 0.493 29 R N 1.038 121.367 120.500 -0.285 0.000 2.441 29 R HA 0.178 4.524 4.340 0.010 0.000 0.284 29 R C 0.942 177.177 176.300 -0.109 0.000 1.070 29 R CA -0.120 55.900 56.100 -0.133 0.000 1.047 29 R CB 0.909 31.202 30.300 -0.012 0.000 1.016 29 R HN 0.126 nan 8.270 nan 0.000 0.477 30 S N 1.222 116.872 115.700 -0.083 0.000 2.625 30 S HA 0.315 4.791 4.470 0.010 0.000 0.262 30 S C 0.726 175.298 174.600 -0.047 0.000 1.223 30 S CA -0.599 57.563 58.200 -0.063 0.000 0.993 30 S CB 0.738 63.907 63.200 -0.053 0.000 1.051 30 S HN 0.638 nan 8.310 nan 0.000 0.562 31 G N -0.937 107.839 108.800 -0.041 0.000 2.580 31 G HA2 0.448 4.415 3.960 0.010 0.000 0.278 31 G HA3 0.448 4.415 3.960 0.010 0.000 0.278 31 G C -0.243 174.629 174.900 -0.047 0.000 1.212 31 G CA -0.616 44.463 45.100 -0.035 0.000 0.939 31 G HN 0.848 nan 8.290 nan 0.000 0.513 32 V N 0.079 119.963 119.914 -0.050 0.000 2.963 32 V HA 0.494 4.620 4.120 0.010 0.000 0.306 32 V C 1.281 177.309 176.094 -0.109 0.000 1.077 32 V CA 0.756 62.999 62.300 -0.096 0.000 1.124 32 V CB 0.916 32.682 31.823 -0.095 0.000 0.987 32 V HN 0.968 nan 8.190 nan 0.000 0.487 33 G N 5.496 114.196 108.800 -0.167 0.000 2.537 33 G HA2 0.589 4.555 3.960 0.010 0.000 0.297 33 G HA3 0.589 4.555 3.960 0.010 0.000 0.297 33 G C -2.546 172.230 174.900 -0.207 0.000 1.310 33 G CA -1.003 44.009 45.100 -0.146 0.000 1.027 33 G HN 0.700 nan 8.290 nan 0.000 0.505 34 P HA 0.229 nan 4.420 nan 0.000 0.274 34 P C -1.107 176.064 177.300 -0.215 0.000 1.264 34 P CA -0.129 62.930 63.100 -0.069 0.000 0.795 34 P CB 0.569 32.270 31.700 0.002 0.000 1.064 35 F N -0.882 119.056 119.950 -0.019 0.000 2.443 35 F HA 0.319 4.852 4.527 0.011 0.000 0.335 35 F C 1.128 176.910 175.800 -0.029 0.000 1.104 35 F CA -0.311 57.672 58.000 -0.028 0.000 1.013 35 F CB 1.521 40.496 39.000 -0.041 0.000 1.136 35 F HN 0.084 nan 8.300 nan 0.000 0.470 36 S N 1.877 117.653 115.700 0.127 0.000 2.532 36 S HA 0.187 4.663 4.470 0.010 0.000 0.318 36 S C 0.906 175.525 174.600 0.031 0.000 1.083 36 S CA -0.521 57.721 58.200 0.070 0.000 1.131 36 S CB 0.595 63.823 63.200 0.047 0.000 0.973 36 S HN 0.746 nan 8.310 nan 0.000 0.468 37 T N 5.311 119.859 114.554 -0.011 0.000 2.721 37 T HA -0.163 4.194 4.350 0.010 0.000 0.268 37 T C 1.671 176.281 174.700 -0.151 0.000 1.038 37 T CA 1.915 63.923 62.100 -0.153 0.000 1.145 37 T CB -0.401 68.399 68.868 -0.112 0.000 0.858 37 T HN 0.590 nan 8.240 nan 0.000 0.459 38 L N 0.861 122.118 121.223 0.056 0.000 1.955 38 L HA -0.050 4.296 4.340 0.010 0.000 0.213 38 L C 2.276 179.267 176.870 0.201 0.000 1.072 38 L CA 1.713 56.670 54.840 0.196 0.000 0.755 38 L CB -0.762 41.384 42.059 0.144 0.000 0.888 38 L HN 0.249 nan 8.230 nan 0.000 0.432 39 L N -0.504 120.799 121.223 0.133 0.000 2.051 39 L HA -0.228 4.118 4.340 0.010 0.000 0.214 39 L C 2.448 179.424 176.870 0.178 0.000 1.076 39 L CA 1.474 56.413 54.840 0.165 0.000 0.758 39 L CB -1.466 40.659 42.059 0.111 0.000 0.890 39 L HN 0.549 nan 8.230 nan 0.000 0.433 40 G N -1.223 107.596 108.800 0.033 0.000 2.527 40 G HA2 -0.253 3.713 3.960 0.010 0.000 0.219 40 G HA3 -0.253 3.713 3.960 0.010 0.000 0.219 40 G C 1.060 175.915 174.900 -0.075 0.000 1.117 40 G CA 0.199 45.259 45.100 -0.066 0.000 0.759 40 G HN 0.462 nan 8.290 nan 0.000 0.556 41 W N -1.529 119.883 121.300 0.186 0.000 2.584 41 W HA 0.291 4.958 4.660 0.010 0.000 0.264 41 W C 1.865 178.650 176.519 0.443 0.000 1.264 41 W CA -0.350 57.141 57.345 0.244 0.000 1.306 41 W CB -0.043 29.499 29.460 0.136 0.000 1.110 41 W HN 0.172 nan 8.180 nan 0.000 0.606 42 F N -0.955 119.243 119.950 0.414 0.000 2.537 42 F HA 0.441 4.974 4.527 0.010 0.000 0.275 42 F C 1.589 177.484 175.800 0.158 0.000 0.947 42 F CA 1.178 59.374 58.000 0.327 0.000 1.238 42 F CB -0.475 38.721 39.000 0.328 0.000 1.071 42 F HN -0.262 nan 8.300 nan 0.000 0.749 43 G N -0.314 108.625 108.800 0.231 0.000 3.211 43 G HA2 0.228 4.194 3.960 0.010 0.000 0.167 43 G HA3 0.228 4.194 3.960 0.010 0.000 0.167 43 G C -1.192 173.750 174.900 0.070 0.000 1.212 43 G CA -0.937 44.206 45.100 0.073 0.000 0.928 43 G HN 0.155 nan 8.290 nan 0.000 0.607 44 N N -0.248 118.483 118.700 0.052 0.000 2.482 44 N HA 0.410 5.156 4.740 0.010 0.000 0.260 44 N C 0.967 176.513 175.510 0.059 0.000 1.236 44 N CA 0.267 53.344 53.050 0.046 0.000 0.938 44 N CB 1.637 40.142 38.487 0.031 0.000 1.128 44 N HN 0.474 nan 8.380 nan 0.000 0.448 45 A N 1.275 124.145 122.820 0.084 0.000 2.147 45 A HA -0.028 4.298 4.320 0.010 0.000 0.211 45 A C 0.765 178.404 177.584 0.092 0.000 1.160 45 A CA 0.316 52.426 52.037 0.122 0.000 0.781 45 A CB -0.035 19.062 19.000 0.161 0.000 0.842 45 A HN 0.741 nan 8.150 nan 0.000 0.475 46 Q N 0.794 120.594 119.800 0.000 0.000 2.307 46 Q HA 0.461 4.807 4.340 0.010 0.000 0.259 46 Q C -1.303 174.542 176.000 -0.259 0.000 0.998 46 Q CA -0.208 55.370 55.803 -0.374 0.000 0.923 46 Q CB 0.318 28.889 28.738 -0.279 0.000 1.196 46 Q HN 0.503 nan 8.270 nan 0.000 0.416 47 L N 4.139 125.175 121.223 -0.312 0.000 2.276 47 L HA 0.773 5.120 4.340 0.010 0.000 0.286 47 L C 0.390 177.119 176.870 -0.236 0.000 1.061 47 L CA -0.241 54.484 54.840 -0.193 0.000 0.807 47 L CB 1.385 43.359 42.059 -0.141 0.000 1.177 47 L HN 0.879 nan 8.230 nan 0.000 0.429 48 G N 3.059 111.765 108.800 -0.157 0.000 2.352 48 G HA2 0.170 4.137 3.960 0.010 0.000 0.305 48 G HA3 0.170 4.137 3.960 0.010 0.000 0.305 48 G C -3.145 171.699 174.900 -0.093 0.000 1.537 48 G CA -1.089 43.922 45.100 -0.148 0.000 0.959 48 G HN 0.333 nan 8.290 nan 0.000 0.668 49 P HA -0.052 nan 4.420 nan 0.000 0.268 49 P C -0.163 177.125 177.300 -0.020 0.000 1.140 49 P CA 0.438 63.515 63.100 -0.039 0.000 0.751 49 P CB 0.606 32.294 31.700 -0.021 0.000 0.740 50 I N 2.591 123.154 120.570 -0.012 0.000 2.607 50 I HA 0.333 4.509 4.170 0.010 0.000 0.305 50 I C -0.481 175.657 176.117 0.035 0.000 0.995 50 I CA -1.325 59.985 61.300 0.017 0.000 1.148 50 I CB 1.221 39.230 38.000 0.016 0.000 1.323 50 I HN 0.194 nan 8.210 nan 0.000 0.461 51 Y N 7.637 127.897 120.300 -0.067 0.000 2.383 51 Y HA 0.447 5.004 4.550 0.010 0.000 0.344 51 Y C -1.208 174.650 175.900 -0.071 0.000 0.986 51 Y CA -0.648 57.408 58.100 -0.074 0.000 1.175 51 Y CB 0.670 39.070 38.460 -0.099 0.000 1.152 51 Y HN 0.274 nan 8.280 nan 0.000 0.511 52 L N 7.717 128.775 121.223 -0.274 0.000 2.384 52 L HA 0.449 4.795 4.340 0.010 0.000 0.261 52 L C 0.643 177.355 176.870 -0.262 0.000 1.024 52 L CA -0.376 54.375 54.840 -0.148 0.000 0.899 52 L CB 0.283 42.294 42.059 -0.078 0.000 1.243 52 L HN 0.852 nan 8.230 nan 0.000 0.449 53 G N 1.411 110.123 108.800 -0.146 0.000 2.531 53 G HA2 0.363 4.329 3.960 0.010 0.000 0.253 53 G HA3 0.363 4.329 3.960 0.010 0.000 0.253 53 G C 0.747 175.643 174.900 -0.006 0.000 1.439 53 G CA 0.042 45.101 45.100 -0.068 0.000 1.056 53 G HN 0.470 nan 8.290 nan 0.000 0.555 54 S N -0.685 115.027 115.700 0.020 0.000 2.377 54 S HA -0.096 4.381 4.470 0.010 0.000 0.223 54 S C 2.260 176.886 174.600 0.044 0.000 1.030 54 S CA 0.662 58.875 58.200 0.022 0.000 0.970 54 S CB -0.360 62.851 63.200 0.019 0.000 0.830 54 S HN 0.297 nan 8.310 nan 0.000 0.473 55 L N 2.346 123.598 121.223 0.049 0.000 2.131 55 L HA 0.045 4.391 4.340 0.010 0.000 0.210 55 L C 2.144 179.051 176.870 0.061 0.000 1.092 55 L CA 1.579 56.451 54.840 0.054 0.000 0.759 55 L CB -1.146 40.929 42.059 0.028 0.000 0.903 55 L HN 0.326 nan 8.230 nan 0.000 0.435 56 G N -1.477 107.352 108.800 0.048 0.000 2.414 56 G HA2 -0.175 3.792 3.960 0.010 0.000 0.215 56 G HA3 -0.175 3.792 3.960 0.010 0.000 0.215 56 G C 1.550 176.519 174.900 0.115 0.000 1.188 56 G CA 0.833 45.967 45.100 0.058 0.000 0.783 56 G HN 0.260 nan 8.290 nan 0.000 0.537 57 V N 0.786 120.750 119.914 0.084 0.000 2.324 57 V HA -0.178 3.949 4.120 0.010 0.000 0.250 57 V C 2.738 178.923 176.094 0.151 0.000 1.060 57 V CA 1.766 64.125 62.300 0.098 0.000 1.042 57 V CB -0.449 31.403 31.823 0.048 0.000 0.650 57 V HN 0.348 nan 8.190 nan 0.000 0.450 58 L N -0.064 121.242 121.223 0.138 0.000 1.970 58 L HA -0.168 4.178 4.340 0.010 0.000 0.212 58 L C 2.638 179.658 176.870 0.249 0.000 1.071 58 L CA 2.529 57.479 54.840 0.184 0.000 0.751 58 L CB -0.991 41.157 42.059 0.148 0.000 0.889 58 L HN 0.303 nan 8.230 nan 0.000 0.432 59 S N -1.154 114.679 115.700 0.223 0.000 2.365 59 S HA -0.205 4.271 4.470 0.010 0.000 0.225 59 S C 1.977 176.691 174.600 0.191 0.000 1.039 59 S CA 1.800 60.145 58.200 0.242 0.000 1.033 59 S CB -0.475 62.952 63.200 0.378 0.000 0.887 59 S HN 0.389 nan 8.310 nan 0.000 0.447 60 L N 0.363 121.705 121.223 0.199 0.000 2.027 60 L HA 0.072 4.418 4.340 0.010 0.000 0.206 60 L C 1.998 178.921 176.870 0.088 0.000 1.074 60 L CA 1.752 56.662 54.840 0.118 0.000 0.745 60 L CB -0.834 41.303 42.059 0.131 0.000 0.898 60 L HN 0.469 nan 8.230 nan 0.000 0.433 61 F N -0.702 119.267 119.950 0.032 0.000 2.095 61 F HA -0.259 4.274 4.527 0.010 0.000 0.298 61 F C 2.582 178.372 175.800 -0.016 0.000 1.104 61 F CA 1.922 59.933 58.000 0.018 0.000 1.232 61 F CB -0.527 38.502 39.000 0.049 0.000 0.987 61 F HN 0.022 nan 8.300 nan 0.000 0.475 62 S N 0.251 116.023 115.700 0.119 0.000 2.353 62 S HA -0.167 4.309 4.470 0.010 0.000 0.222 62 S C 2.295 176.847 174.600 -0.080 0.000 1.035 62 S CA 1.419 59.656 58.200 0.061 0.000 1.025 62 S CB -1.310 62.013 63.200 0.205 0.000 0.902 62 S HN 0.650 nan 8.310 nan 0.000 0.440 63 G N 1.391 110.155 108.800 -0.059 0.000 2.446 63 G HA2 -0.180 3.786 3.960 0.010 0.000 0.217 63 G HA3 -0.180 3.786 3.960 0.010 0.000 0.217 63 G C 1.349 176.192 174.900 -0.095 0.000 1.168 63 G CA 0.867 45.935 45.100 -0.054 0.000 0.771 63 G HN 0.459 nan 8.290 nan 0.000 0.551 64 L N -0.115 120.925 121.223 -0.305 0.000 2.083 64 L HA -0.056 4.290 4.340 0.010 0.000 0.209 64 L C 3.098 179.580 176.870 -0.647 0.000 1.083 64 L CA 0.683 55.163 54.840 -0.599 0.000 0.752 64 L CB -0.309 41.433 42.059 -0.529 0.000 0.899 64 L HN 0.144 nan 8.230 nan 0.000 0.433 65 M N -1.308 117.946 119.600 -0.576 0.000 2.099 65 M HA -0.225 4.261 4.480 0.010 0.000 0.262 65 M C 2.157 178.251 176.300 -0.343 0.000 1.067 65 M CA 1.693 56.606 55.300 -0.645 0.000 1.124 65 M CB -1.142 30.562 32.600 -1.493 0.000 1.353 65 M HN 0.451 nan 8.290 nan 0.000 0.410 66 W N 0.870 121.957 121.300 -0.355 0.000 2.317 66 W HA -0.307 4.359 4.660 0.010 0.000 0.318 66 W C 2.243 178.620 176.519 -0.237 0.000 1.227 66 W CA 1.940 59.166 57.345 -0.198 0.000 1.269 66 W CB -1.135 28.215 29.460 -0.184 0.000 1.155 66 W HN 0.184 nan 8.180 nan 0.000 0.484 67 F N -0.231 119.334 119.950 -0.641 0.000 2.134 67 F HA -0.164 4.369 4.527 0.011 0.000 0.299 67 F C 2.042 177.521 175.800 -0.535 0.000 1.097 67 F CA 2.014 59.490 58.000 -0.873 0.000 1.264 67 F CB -0.767 37.803 39.000 -0.717 0.000 1.001 67 F HN -0.178 nan 8.300 nan 0.000 0.479 68 F N 0.128 120.001 119.950 -0.130 0.000 2.325 68 F HA -0.092 4.441 4.527 0.010 0.000 0.299 68 F C 2.503 178.205 175.800 -0.164 0.000 1.090 68 F CA 1.324 59.249 58.000 -0.125 0.000 1.392 68 F CB -1.708 37.245 39.000 -0.078 0.000 1.053 68 F HN -0.128 nan 8.300 nan 0.000 0.521 69 T N 0.589 115.119 114.554 -0.039 0.000 2.777 69 T HA -0.135 4.221 4.350 0.010 0.000 0.266 69 T C 2.243 176.901 174.700 -0.069 0.000 1.040 69 T CA 1.360 63.452 62.100 -0.013 0.000 1.141 69 T CB -0.449 68.431 68.868 0.019 0.000 0.868 69 T HN 0.164 nan 8.240 nan 0.000 0.444 70 I N 1.315 121.684 120.570 -0.336 0.000 2.226 70 I HA -0.085 4.091 4.170 0.010 0.000 0.245 70 I C 2.863 178.720 176.117 -0.434 0.000 1.100 70 I CA 1.162 62.185 61.300 -0.461 0.000 1.374 70 I CB -0.779 36.662 38.000 -0.931 0.000 1.057 70 I HN 0.304 nan 8.210 nan 0.000 0.413 71 G N 2.217 110.799 108.800 -0.364 0.000 2.514 71 G HA2 -0.280 3.686 3.960 0.010 0.000 0.217 71 G HA3 -0.280 3.686 3.960 0.010 0.000 0.217 71 G C 1.633 176.707 174.900 0.291 0.000 1.198 71 G CA 1.358 46.434 45.100 -0.041 0.000 0.780 71 G HN 0.588 nan 8.290 nan 0.000 0.565 72 I N -3.168 117.568 120.570 0.277 0.000 2.454 72 I HA -0.040 4.137 4.170 0.010 0.000 0.254 72 I C 2.475 178.797 176.117 0.341 0.000 1.156 72 I CA 0.955 62.470 61.300 0.360 0.000 1.433 72 I CB -0.400 37.792 38.000 0.320 0.000 1.082 72 I HN 0.400 nan 8.210 nan 0.000 0.432 73 W N 2.057 123.437 121.300 0.132 0.000 2.378 73 W HA -0.230 4.435 4.660 0.010 0.000 0.313 73 W C 2.203 178.848 176.519 0.211 0.000 1.197 73 W CA 1.224 58.667 57.345 0.162 0.000 1.304 73 W CB -0.302 29.268 29.460 0.183 0.000 1.148 73 W HN 0.112 nan 8.180 nan 0.000 0.494 74 F N -0.181 119.704 119.950 -0.109 0.000 2.091 74 F HA -0.200 4.333 4.527 0.010 0.000 0.299 74 F C 2.145 177.484 175.800 -0.768 0.000 1.103 74 F CA 1.441 59.085 58.000 -0.593 0.000 1.228 74 F CB -1.742 37.038 39.000 -0.366 0.000 0.984 74 F HN -0.047 nan 8.300 nan 0.000 0.477 75 W N -1.188 120.056 121.300 -0.093 0.000 2.335 75 W HA -0.270 4.396 4.660 0.010 0.000 0.311 75 W C 2.687 178.724 176.519 -0.804 0.000 1.213 75 W CA 1.911 59.102 57.345 -0.257 0.000 1.274 75 W CB -1.170 28.214 29.460 -0.127 0.000 1.148 75 W HN 0.119 nan 8.180 nan 0.000 0.498 76 Y N 1.032 120.778 120.300 -0.923 0.000 2.181 76 Y HA -0.309 4.248 4.550 0.010 0.000 0.288 76 Y C 2.393 177.722 175.900 -0.952 0.000 1.146 76 Y CA 2.201 59.489 58.100 -1.353 0.000 1.164 76 Y CB -0.675 37.276 38.460 -0.847 0.000 0.982 76 Y HN 0.003 nan 8.280 nan 0.000 0.515 77 Q N -0.246 119.053 119.800 -0.835 0.000 2.170 77 Q HA -0.152 4.194 4.340 0.010 0.000 0.203 77 Q C 2.211 177.912 176.000 -0.497 0.000 0.976 77 Q CA 1.102 56.473 55.803 -0.720 0.000 0.858 77 Q CB -0.253 28.104 28.738 -0.635 0.000 0.907 77 Q HN 0.631 nan 8.270 nan 0.000 0.433 78 A N -0.011 122.465 122.820 -0.573 0.000 2.235 78 A HA 0.206 4.532 4.320 0.010 0.000 0.208 78 A C 1.402 178.853 177.584 -0.221 0.000 1.172 78 A CA 0.766 52.667 52.037 -0.226 0.000 0.786 78 A CB -0.395 18.520 19.000 -0.141 0.000 0.804 78 A HN 0.447 nan 8.150 nan 0.000 0.479 79 G N -2.219 106.297 108.800 -0.473 0.000 2.221 79 G HA2 -0.290 3.677 3.960 0.010 0.000 0.265 79 G HA3 -0.290 3.677 3.960 0.010 0.000 0.265 79 G C 0.180 175.026 174.900 -0.090 0.000 1.041 79 G CA 0.099 44.970 45.100 -0.381 0.000 0.807 79 G HN 1.155 nan 8.290 nan 0.000 0.502 80 W N -2.232 119.123 121.300 0.090 0.000 4.706 80 W HA -0.176 4.490 4.660 0.009 0.000 0.366 80 W C 0.420 177.093 176.519 0.256 0.000 1.382 80 W CA 0.268 57.737 57.345 0.207 0.000 0.832 80 W CB -1.898 27.593 29.460 0.053 0.000 2.504 80 W HN 0.636 nan 8.180 nan 0.000 1.403 81 N N 0.787 119.738 118.700 0.418 0.000 2.448 81 N HA 0.284 5.031 4.740 0.010 0.000 0.279 81 N C -0.918 174.787 175.510 0.324 0.000 1.025 81 N CA -2.058 51.181 53.050 0.314 0.000 0.898 81 N CB 1.903 40.489 38.487 0.165 0.000 1.303 81 N HN -0.249 nan 8.380 nan 0.000 0.495 82 P HA -0.079 nan 4.420 nan 0.000 0.218 82 P C 0.939 178.354 177.300 0.192 0.000 1.149 82 P CA 0.912 64.202 63.100 0.317 0.000 0.817 82 P CB 0.376 32.287 31.700 0.353 0.000 0.785 83 A N 0.207 123.114 122.820 0.145 0.000 1.855 83 A HA -0.112 4.214 4.320 0.010 0.000 0.215 83 A C 2.498 180.118 177.584 0.059 0.000 1.191 83 A CA 1.885 53.974 52.037 0.086 0.000 0.613 83 A CB -1.646 17.391 19.000 0.061 0.000 0.829 83 A HN 0.044 nan 8.150 nan 0.000 0.442 84 V N -1.019 118.935 119.914 0.067 0.000 2.392 84 V HA -0.255 3.871 4.120 0.010 0.000 0.249 84 V C 2.284 178.438 176.094 0.100 0.000 1.059 84 V CA 2.176 64.504 62.300 0.047 0.000 1.051 84 V CB -0.955 30.899 31.823 0.053 0.000 0.658 84 V HN 0.632 nan 8.190 nan 0.000 0.455 85 F N 0.176 120.076 119.950 -0.084 0.000 2.075 85 F HA -0.202 4.332 4.527 0.010 0.000 0.297 85 F C 2.009 177.770 175.800 -0.066 0.000 1.113 85 F CA 1.745 59.628 58.000 -0.195 0.000 1.218 85 F CB -0.232 38.239 39.000 -0.881 0.000 0.984 85 F HN 0.059 nan 8.300 nan 0.000 0.472 86 L N 0.765 121.989 121.223 0.001 0.000 2.083 86 L HA -0.134 4.212 4.340 0.010 0.000 0.209 86 L C 2.591 179.362 176.870 -0.167 0.000 1.083 86 L CA 1.632 56.421 54.840 -0.084 0.000 0.752 86 L CB -1.283 40.797 42.059 0.036 0.000 0.899 86 L HN 0.185 nan 8.230 nan 0.000 0.433 87 R N -0.286 120.138 120.500 -0.126 0.000 2.066 87 R HA -0.120 4.226 4.340 0.010 0.000 0.232 87 R C 0.521 176.674 176.300 -0.245 0.000 1.131 87 R CA 1.615 57.618 56.100 -0.161 0.000 0.955 87 R CB 0.005 30.228 30.300 -0.129 0.000 0.851 87 R HN 0.268 nan 8.270 nan 0.000 0.432 88 D N 0.743 120.928 120.400 -0.357 0.000 2.395 88 D HA -0.003 4.643 4.640 0.010 0.000 0.226 88 D C 1.184 177.011 176.300 -0.788 0.000 1.146 88 D CA -0.096 53.546 54.000 -0.596 0.000 0.830 88 D CB 0.508 40.739 40.800 -0.949 0.000 0.958 88 D HN 0.123 nan 8.370 nan 0.000 0.501 89 L N 0.013 120.959 121.223 -0.462 0.000 2.089 89 L HA -0.186 4.160 4.340 0.010 0.000 0.213 89 L C 1.330 178.145 176.870 -0.093 0.000 1.079 89 L CA 1.691 56.360 54.840 -0.285 0.000 0.758 89 L CB -0.346 41.564 42.059 -0.249 0.000 0.891 89 L HN 0.005 nan 8.230 nan 0.000 0.433 90 F N -2.227 117.411 119.950 -0.519 0.000 2.789 90 F HA 0.110 4.643 4.527 0.010 0.000 0.300 90 F C 1.781 177.082 175.800 -0.831 0.000 1.132 90 F CA 0.037 57.523 58.000 -0.857 0.000 1.404 90 F CB -0.809 37.226 39.000 -1.609 0.000 1.114 90 F HN 0.041 nan 8.300 nan 0.000 0.584 91 F N -1.879 117.811 119.950 -0.433 0.000 2.714 91 F HA 0.130 4.663 4.527 0.010 0.000 0.294 91 F C 0.761 176.348 175.800 -0.355 0.000 1.120 91 F CA -0.322 57.508 58.000 -0.282 0.000 1.398 91 F CB -0.361 38.438 39.000 -0.335 0.000 1.120 91 F HN -0.351 nan 8.300 nan 0.000 0.589 92 F N 0.588 120.349 119.950 -0.315 0.000 2.496 92 F HA 0.339 4.872 4.527 0.011 0.000 0.344 92 F C 0.702 176.223 175.800 -0.464 0.000 1.155 92 F CA -0.516 57.075 58.000 -0.682 0.000 1.302 92 F CB 0.448 38.401 39.000 -1.746 0.000 1.159 92 F HN -0.350 nan 8.300 nan 0.000 0.595 93 S N 2.349 118.184 115.700 0.225 0.000 2.592 93 S HA 0.467 4.944 4.470 0.010 0.000 0.275 93 S C -1.771 173.293 174.600 0.774 0.000 1.169 93 S CA -0.701 57.813 58.200 0.524 0.000 0.958 93 S CB 0.726 64.142 63.200 0.361 0.000 1.095 93 S HN 0.508 nan 8.310 nan 0.000 0.471 94 L N 5.160 126.835 121.223 0.753 0.000 2.268 94 L HA 0.546 4.893 4.340 0.010 0.000 0.289 94 L C -0.197 176.890 176.870 0.361 0.000 1.064 94 L CA 0.358 55.442 54.840 0.408 0.000 0.824 94 L CB 0.411 42.704 42.059 0.390 0.000 1.202 94 L HN 0.629 nan 8.230 nan 0.000 0.433 95 E N 6.711 127.018 120.200 0.178 0.000 2.242 95 E HA 0.447 4.803 4.350 0.010 0.000 0.275 95 E C -2.380 174.097 176.600 -0.206 0.000 1.002 95 E CA -1.881 54.540 56.400 0.035 0.000 0.841 95 E CB 0.920 30.666 29.700 0.077 0.000 1.109 95 E HN 0.409 nan 8.360 nan 0.000 0.394 96 P HA 0.143 nan 4.420 nan 0.000 0.273 96 P C -2.452 174.622 177.300 -0.376 0.000 1.250 96 P CA -1.231 61.224 63.100 -1.075 0.000 0.793 96 P CB -0.655 30.075 31.700 -1.617 0.000 1.011 97 P HA 0.047 nan 4.420 nan 0.000 0.269 97 P C -0.129 177.202 177.300 0.052 0.000 1.215 97 P CA 0.130 63.217 63.100 -0.021 0.000 0.780 97 P CB 0.155 31.877 31.700 0.037 0.000 0.898 98 A N 4.192 127.116 122.820 0.173 0.000 2.429 98 A HA 0.188 4.514 4.320 0.010 0.000 0.242 98 A C -1.191 176.451 177.584 0.096 0.000 1.088 98 A CA -0.683 51.429 52.037 0.125 0.000 0.784 98 A CB -1.340 17.738 19.000 0.129 0.000 1.038 98 A HN 0.398 nan 8.150 nan 0.000 0.501 99 P HA -0.102 nan 4.420 nan 0.000 0.220 99 P C 0.824 178.097 177.300 -0.046 0.000 1.148 99 P CA 1.300 64.392 63.100 -0.013 0.000 0.803 99 P CB 0.094 31.774 31.700 -0.033 0.000 0.782 100 E N -1.234 118.904 120.200 -0.103 0.000 2.147 100 E HA -0.213 4.143 4.350 0.010 0.000 0.199 100 E C 1.114 177.554 176.600 -0.266 0.000 1.005 100 E CA 1.442 57.693 56.400 -0.247 0.000 0.810 100 E CB -0.990 28.444 29.700 -0.444 0.000 0.736 100 E HN 0.466 nan 8.360 nan 0.000 0.460 101 Y N -0.447 119.847 120.300 -0.010 0.000 2.461 101 Y HA 0.260 4.815 4.550 0.009 0.000 0.277 101 Y C 1.646 177.525 175.900 -0.036 0.000 1.182 101 Y CA 0.200 58.299 58.100 -0.000 0.000 1.276 101 Y CB -0.015 38.466 38.460 0.034 0.000 1.087 101 Y HN 0.107 nan 8.280 nan 0.000 0.519 102 G N 1.067 109.883 108.800 0.027 0.000 2.652 102 G HA2 -0.362 3.605 3.960 0.010 0.000 0.318 102 G HA3 -0.362 3.605 3.960 0.010 0.000 0.318 102 G C 0.668 175.427 174.900 -0.234 0.000 1.295 102 G CA 0.754 45.796 45.100 -0.097 0.000 0.999 102 G HN 0.310 nan 8.290 nan 0.000 0.548 103 L N 2.000 123.002 121.223 -0.369 0.000 2.685 103 L HA 0.337 4.684 4.340 0.010 0.000 0.233 103 L C 1.727 178.365 176.870 -0.386 0.000 1.173 103 L CA 0.444 54.819 54.840 -0.773 0.000 0.961 103 L CB -0.169 41.441 42.059 -0.748 0.000 1.217 103 L HN 0.654 nan 8.230 nan 0.000 0.478 104 S N -1.148 114.490 115.700 -0.102 0.000 2.655 104 S HA 0.301 4.777 4.470 0.010 0.000 0.265 104 S C 0.132 174.701 174.600 -0.052 0.000 1.240 104 S CA -0.329 57.886 58.200 0.025 0.000 0.986 104 S CB 0.619 63.900 63.200 0.134 0.000 0.985 104 S HN 0.145 nan 8.310 nan 0.000 0.562 105 F N -0.340 119.729 119.950 0.199 0.000 2.708 105 F HA 0.491 5.024 4.527 0.009 0.000 0.300 105 F C 1.703 177.520 175.800 0.029 0.000 1.118 105 F CA -0.310 57.761 58.000 0.118 0.000 1.307 105 F CB -0.111 38.936 39.000 0.079 0.000 0.986 105 F HN 0.738 nan 8.300 nan 0.000 0.522 106 A N 0.222 123.125 122.820 0.140 0.000 2.178 106 A HA 0.521 4.848 4.320 0.010 0.000 0.211 106 A C 1.506 178.985 177.584 -0.175 0.000 1.157 106 A CA 0.332 52.406 52.037 0.061 0.000 0.780 106 A CB -0.485 18.610 19.000 0.157 0.000 0.828 106 A HN 0.186 nan 8.150 nan 0.000 0.476 107 A N 1.344 123.881 122.820 -0.472 0.000 2.511 107 A HA 0.484 4.810 4.320 0.010 0.000 0.242 107 A C -2.229 175.140 177.584 -0.359 0.000 1.069 107 A CA -0.850 50.640 52.037 -0.912 0.000 0.763 107 A CB -0.423 18.092 19.000 -0.809 0.000 1.001 107 A HN 0.267 nan 8.150 nan 0.000 0.498 108 P HA 0.174 nan 4.420 nan 0.000 0.270 108 P C 0.716 177.969 177.300 -0.077 0.000 1.223 108 P CA -0.455 62.591 63.100 -0.090 0.000 0.785 108 P CB 0.365 32.056 31.700 -0.016 0.000 0.923 109 L N 1.360 122.561 121.223 -0.038 0.000 2.013 109 L HA -0.217 4.130 4.340 0.010 0.000 0.212 109 L C 2.108 178.914 176.870 -0.106 0.000 1.073 109 L CA 2.080 56.894 54.840 -0.044 0.000 0.753 109 L CB -0.986 41.071 42.059 -0.003 0.000 0.890 109 L HN 0.410 nan 8.230 nan 0.000 0.432 110 K N -0.308 120.058 120.400 -0.056 0.000 2.362 110 K HA -0.082 4.245 4.320 0.010 0.000 0.200 110 K C 0.361 176.890 176.600 -0.118 0.000 1.046 110 K CA 0.937 57.190 56.287 -0.058 0.000 0.952 110 K CB 0.014 32.603 32.500 0.148 0.000 0.753 110 K HN 0.420 nan 8.250 nan 0.000 0.466 111 E N -0.803 119.349 120.200 -0.080 0.000 3.858 111 E HA 0.167 4.523 4.350 0.010 0.000 0.208 111 E C 0.201 176.755 176.600 -0.077 0.000 1.041 111 E CA -0.155 56.224 56.400 -0.034 0.000 1.368 111 E CB 1.364 31.099 29.700 0.057 0.000 1.176 111 E HN 0.348 nan 8.360 nan 0.000 0.448 112 G N 0.201 108.937 108.800 -0.107 0.000 3.033 112 G HA2 -0.259 3.707 3.960 0.010 0.000 0.196 112 G HA3 -0.259 3.707 3.960 0.010 0.000 0.196 112 G C 1.182 176.094 174.900 0.021 0.000 1.078 112 G CA -0.136 44.937 45.100 -0.045 0.000 0.805 112 G HN 0.426 nan 8.290 nan 0.000 0.472 113 G N 1.202 109.976 108.800 -0.044 0.000 2.529 113 G HA2 -0.163 3.803 3.960 0.010 0.000 0.219 113 G HA3 -0.163 3.803 3.960 0.010 0.000 0.219 113 G C 1.884 176.801 174.900 0.028 0.000 1.177 113 G CA 1.499 46.597 45.100 -0.002 0.000 0.773 113 G HN 0.715 nan 8.290 nan 0.000 0.573 114 L N -1.328 119.880 121.223 -0.025 0.000 2.079 114 L HA -0.079 4.267 4.340 0.010 0.000 0.210 114 L C 2.593 179.502 176.870 0.065 0.000 1.081 114 L CA 1.379 56.209 54.840 -0.017 0.000 0.752 114 L CB -0.304 41.667 42.059 -0.147 0.000 0.896 114 L HN 0.516 nan 8.230 nan 0.000 0.433 115 W N 0.483 121.736 121.300 -0.080 0.000 2.338 115 W HA -0.249 4.417 4.660 0.010 0.000 0.304 115 W C 2.118 178.702 176.519 0.108 0.000 1.212 115 W CA 1.622 58.998 57.345 0.050 0.000 1.264 115 W CB -0.092 29.347 29.460 -0.034 0.000 1.142 115 W HN 0.009 nan 8.180 nan 0.000 0.512 116 L N -0.204 121.096 121.223 0.128 0.000 2.095 116 L HA -0.162 4.185 4.340 0.010 0.000 0.204 116 L C 2.455 179.294 176.870 -0.052 0.000 1.080 116 L CA 1.091 55.895 54.840 -0.060 0.000 0.759 116 L CB -0.853 41.229 42.059 0.037 0.000 0.914 116 L HN -0.033 nan 8.230 nan 0.000 0.439 117 I N 0.115 120.695 120.570 0.017 0.000 2.099 117 I HA -0.353 3.823 4.170 0.010 0.000 0.239 117 I C 2.859 179.065 176.117 0.149 0.000 1.066 117 I CA 1.386 62.706 61.300 0.034 0.000 1.324 117 I CB -0.619 37.445 38.000 0.106 0.000 1.037 117 I HN 0.235 nan 8.210 nan 0.000 0.401 118 A N 0.435 123.355 122.820 0.167 0.000 1.903 118 A HA -0.263 4.064 4.320 0.010 0.000 0.219 118 A C 2.490 180.183 177.584 0.181 0.000 1.191 118 A CA 2.649 54.817 52.037 0.218 0.000 0.638 118 A CB -0.950 18.037 19.000 -0.022 0.000 0.823 118 A HN 0.457 nan 8.150 nan 0.000 0.451 119 S N -1.149 114.487 115.700 -0.106 0.000 2.356 119 S HA -0.139 4.338 4.470 0.010 0.000 0.223 119 S C 1.660 176.222 174.600 -0.064 0.000 1.032 119 S CA 1.393 59.464 58.200 -0.215 0.000 1.005 119 S CB -0.603 62.150 63.200 -0.746 0.000 0.867 119 S HN 0.613 nan 8.310 nan 0.000 0.449 120 F N 2.038 121.880 119.950 -0.180 0.000 2.063 120 F HA -0.208 4.326 4.527 0.012 0.000 0.298 120 F C 1.782 177.564 175.800 -0.030 0.000 1.109 120 F CA 1.421 59.318 58.000 -0.171 0.000 1.212 120 F CB -0.630 38.176 39.000 -0.324 0.000 0.973 120 F HN 0.117 nan 8.300 nan 0.000 0.480 121 F N -0.105 119.872 119.950 0.044 0.000 2.202 121 F HA -0.226 4.307 4.527 0.010 0.000 0.301 121 F C 2.615 178.339 175.800 -0.126 0.000 1.082 121 F CA 1.669 59.659 58.000 -0.016 0.000 1.313 121 F CB -0.889 38.186 39.000 0.125 0.000 1.024 121 F HN 0.098 nan 8.300 nan 0.000 0.495 122 M N -1.527 118.046 119.600 -0.045 0.000 2.200 122 M HA -0.174 4.313 4.480 0.010 0.000 0.265 122 M C 2.254 178.502 176.300 -0.087 0.000 1.066 122 M CA 1.472 56.561 55.300 -0.351 0.000 1.127 122 M CB -0.326 31.819 32.600 -0.757 0.000 1.379 122 M HN 0.181 nan 8.290 nan 0.000 0.420 123 F N -0.048 119.852 119.950 -0.082 0.000 2.051 123 F HA -0.228 4.305 4.527 0.011 0.000 0.296 123 F C 2.183 178.033 175.800 0.084 0.000 1.122 123 F CA 1.998 60.061 58.000 0.104 0.000 1.201 123 F CB -0.572 38.370 39.000 -0.097 0.000 0.978 123 F HN 0.000 nan 8.300 nan 0.000 0.472 124 V N 0.794 120.790 119.914 0.136 0.000 2.392 124 V HA -0.251 3.875 4.120 0.010 0.000 0.249 124 V C 2.324 178.473 176.094 0.091 0.000 1.059 124 V CA 2.035 64.388 62.300 0.090 0.000 1.051 124 V CB -1.060 30.717 31.823 -0.077 0.000 0.658 124 V HN 0.497 nan 8.190 nan 0.000 0.455 125 A N -0.379 122.452 122.820 0.018 0.000 1.865 125 A HA -0.152 4.175 4.320 0.010 0.000 0.217 125 A C 2.347 179.909 177.584 -0.037 0.000 1.191 125 A CA 2.503 54.531 52.037 -0.015 0.000 0.623 125 A CB -0.911 18.003 19.000 -0.143 0.000 0.826 125 A HN 0.505 nan 8.150 nan 0.000 0.444 126 V N -2.602 117.162 119.914 -0.250 0.000 2.453 126 V HA -0.231 3.895 4.120 0.010 0.000 0.247 126 V C 2.232 178.210 176.094 -0.193 0.000 1.048 126 V CA 1.510 63.565 62.300 -0.409 0.000 1.049 126 V CB -0.977 30.128 31.823 -1.196 0.000 0.672 126 V HN 0.769 nan 8.190 nan 0.000 0.457 127 W N 0.962 122.193 121.300 -0.114 0.000 2.379 127 W HA -0.180 4.486 4.660 0.010 0.000 0.307 127 W C 2.998 179.620 176.519 0.172 0.000 1.200 127 W CA 1.599 58.931 57.345 -0.022 0.000 1.297 127 W CB -0.463 28.875 29.460 -0.204 0.000 1.140 127 W HN 0.333 nan 8.180 nan 0.000 0.507 128 S N -0.680 115.228 115.700 0.346 0.000 2.382 128 S HA -0.271 4.205 4.470 0.010 0.000 0.228 128 S C 1.706 176.455 174.600 0.249 0.000 1.027 128 S CA 1.051 59.411 58.200 0.267 0.000 0.991 128 S CB -1.326 62.000 63.200 0.211 0.000 0.823 128 S HN 0.482 nan 8.310 nan 0.000 0.469 129 W N 0.932 122.301 121.300 0.116 0.000 2.363 129 W HA -0.111 4.555 4.660 0.010 0.000 0.296 129 W C 1.982 178.640 176.519 0.231 0.000 1.212 129 W CA 1.137 58.544 57.345 0.103 0.000 1.260 129 W CB -0.558 28.925 29.460 0.037 0.000 1.131 129 W HN 0.512 nan 8.180 nan 0.000 0.530 130 W N 1.510 123.028 121.300 0.363 0.000 2.333 130 W HA -0.128 4.539 4.660 0.010 0.000 0.316 130 W C 2.505 179.096 176.519 0.120 0.000 1.215 130 W CA 3.426 60.953 57.345 0.304 0.000 1.278 130 W CB -0.957 28.521 29.460 0.031 0.000 1.154 130 W HN -0.114 nan 8.180 nan 0.000 0.486 131 G N 0.187 109.040 108.800 0.090 0.000 2.432 131 G HA2 -0.316 3.650 3.960 0.010 0.000 0.219 131 G HA3 -0.316 3.650 3.960 0.010 0.000 0.219 131 G C 1.556 176.276 174.900 -0.301 0.000 1.135 131 G CA 1.054 46.019 45.100 -0.225 0.000 0.767 131 G HN 0.348 nan 8.290 nan 0.000 0.550 132 R N -0.288 120.048 120.500 -0.274 0.000 2.066 132 R HA -0.059 4.288 4.340 0.010 0.000 0.232 132 R C 2.601 178.619 176.300 -0.471 0.000 1.131 132 R CA 1.854 57.720 56.100 -0.389 0.000 0.955 132 R CB -0.733 29.235 30.300 -0.553 0.000 0.851 132 R HN 0.231 nan 8.270 nan 0.000 0.432 133 T N 0.044 114.291 114.554 -0.512 0.000 2.721 133 T HA -0.246 4.110 4.350 0.010 0.000 0.268 133 T C 1.263 175.688 174.700 -0.458 0.000 1.038 133 T CA 1.824 63.654 62.100 -0.449 0.000 1.145 133 T CB -0.390 68.300 68.868 -0.297 0.000 0.858 133 T HN 0.395 nan 8.240 nan 0.000 0.459 134 Y N 0.862 120.747 120.300 -0.691 0.000 2.206 134 Y HA 0.088 4.644 4.550 0.011 0.000 0.292 134 Y C 2.063 177.692 175.900 -0.451 0.000 1.123 134 Y CA 1.032 58.735 58.100 -0.661 0.000 1.142 134 Y CB -0.295 37.646 38.460 -0.864 0.000 1.006 134 Y HN 0.108 nan 8.280 nan 0.000 0.518 135 L N -0.319 120.791 121.223 -0.187 0.000 2.046 135 L HA -0.231 4.115 4.340 0.010 0.000 0.208 135 L C 2.544 179.232 176.870 -0.303 0.000 1.077 135 L CA 1.030 55.763 54.840 -0.178 0.000 0.747 135 L CB -0.477 41.485 42.059 -0.162 0.000 0.896 135 L HN 0.133 nan 8.230 nan 0.000 0.432 136 R N 0.233 120.510 120.500 -0.372 0.000 2.105 136 R HA -0.121 4.226 4.340 0.010 0.000 0.239 136 R C 2.273 178.369 176.300 -0.340 0.000 1.135 136 R CA 1.472 57.332 56.100 -0.401 0.000 0.967 136 R CB -1.123 28.940 30.300 -0.395 0.000 0.861 136 R HN 0.369 nan 8.270 nan 0.000 0.442 137 A N 0.967 123.570 122.820 -0.361 0.000 1.902 137 A HA -0.213 4.113 4.320 0.010 0.000 0.217 137 A C 2.199 179.593 177.584 -0.316 0.000 1.181 137 A CA 1.554 53.386 52.037 -0.342 0.000 0.623 137 A CB -0.469 18.276 19.000 -0.424 0.000 0.818 137 A HN 0.418 nan 8.150 nan 0.000 0.443 138 Q N -0.702 118.887 119.800 -0.351 0.000 2.123 138 Q HA -0.053 4.293 4.340 0.010 0.000 0.199 138 Q C 2.139 178.028 176.000 -0.186 0.000 0.966 138 Q CA 1.248 56.894 55.803 -0.263 0.000 0.845 138 Q CB -0.304 28.303 28.738 -0.219 0.000 0.907 138 Q HN 0.598 nan 8.270 nan 0.000 0.439 139 A N 0.532 123.228 122.820 -0.207 0.000 1.972 139 A HA -0.102 4.224 4.320 0.010 0.000 0.219 139 A C 1.803 179.296 177.584 -0.151 0.000 1.169 139 A CA 1.001 52.931 52.037 -0.179 0.000 0.635 139 A CB -0.344 18.507 19.000 -0.247 0.000 0.810 139 A HN 0.438 nan 8.150 nan 0.000 0.446 140 L N -1.374 119.748 121.223 -0.168 0.000 2.592 140 L HA 0.247 4.593 4.340 0.010 0.000 0.227 140 L C 1.507 178.306 176.870 -0.118 0.000 1.127 140 L CA 0.411 55.170 54.840 -0.135 0.000 0.884 140 L CB -0.143 41.830 42.059 -0.144 0.000 1.065 140 L HN 0.519 nan 8.230 nan 0.000 0.457 141 G N 0.822 109.545 108.800 -0.127 0.000 2.221 141 G HA2 -0.299 3.667 3.960 0.010 0.000 0.265 141 G HA3 -0.299 3.667 3.960 0.010 0.000 0.265 141 G C 0.101 174.939 174.900 -0.103 0.000 1.041 141 G CA 0.288 45.325 45.100 -0.105 0.000 0.807 141 G HN 0.268 nan 8.290 nan 0.000 0.502 142 M N -0.164 119.356 119.600 -0.134 0.000 2.494 142 M HA 0.604 5.090 4.480 0.010 0.000 0.300 142 M C 1.377 177.609 176.300 -0.113 0.000 1.189 142 M CA -0.087 55.142 55.300 -0.118 0.000 0.982 142 M CB 0.947 33.465 32.600 -0.138 0.000 1.534 142 M HN 0.218 nan 8.290 nan 0.000 0.488 143 G N 0.296 109.079 108.800 -0.028 0.000 2.684 143 G HA2 0.200 4.166 3.960 0.010 0.000 0.255 143 G HA3 0.200 4.166 3.960 0.010 0.000 0.255 143 G C 0.129 175.027 174.900 -0.003 0.000 1.219 143 G CA -0.496 44.659 45.100 0.093 0.000 0.901 143 G HN 0.599 nan 8.290 nan 0.000 0.548 144 K N -0.466 119.881 120.400 -0.089 0.000 2.498 144 K HA 0.142 4.469 4.320 0.010 0.000 0.207 144 K C 1.275 177.664 176.600 -0.352 0.000 1.033 144 K CA -0.170 55.870 56.287 -0.412 0.000 1.138 144 K CB 0.148 32.264 32.500 -0.641 0.000 0.860 144 K HN 0.570 nan 8.250 nan 0.000 0.490 145 H N 0.473 119.467 119.070 -0.126 0.000 2.321 145 H HA -0.075 4.487 4.556 0.010 0.000 0.300 145 H C 1.728 177.029 175.328 -0.045 0.000 1.087 145 H CA 2.173 58.215 56.048 -0.010 0.000 1.319 145 H CB -0.376 29.366 29.762 -0.033 0.000 1.379 145 H HN 0.074 nan 8.280 nan 0.000 0.501 146 T N 0.553 115.125 114.554 0.031 0.000 2.665 146 T HA -0.250 4.106 4.350 0.010 0.000 0.268 146 T C 2.362 177.074 174.700 0.020 0.000 1.035 146 T CA 1.539 63.633 62.100 -0.010 0.000 1.151 146 T CB -0.641 68.173 68.868 -0.091 0.000 0.862 146 T HN 0.523 nan 8.240 nan 0.000 0.438 147 A N 0.597 123.324 122.820 -0.154 0.000 1.877 147 A HA -0.078 4.248 4.320 0.010 0.000 0.216 147 A C 2.163 179.878 177.584 0.219 0.000 1.186 147 A CA 1.409 53.349 52.037 -0.161 0.000 0.620 147 A CB -1.240 17.357 19.000 -0.672 0.000 0.822 147 A HN 0.740 nan 8.150 nan 0.000 0.443 148 W N -0.390 121.051 121.300 0.235 0.000 2.358 148 W HA -0.051 4.615 4.660 0.010 0.000 0.303 148 W C 2.740 179.324 176.519 0.108 0.000 1.208 148 W CA 0.668 58.122 57.345 0.181 0.000 1.274 148 W CB -0.112 29.366 29.460 0.030 0.000 1.138 148 W HN 0.404 nan 8.180 nan 0.000 0.515 149 A N -0.052 122.927 122.820 0.264 0.000 1.930 149 A HA -0.214 4.112 4.320 0.010 0.000 0.217 149 A C 1.722 179.460 177.584 0.258 0.000 1.175 149 A CA 1.302 53.428 52.037 0.149 0.000 0.627 149 A CB -1.082 17.957 19.000 0.064 0.000 0.815 149 A HN 0.360 nan 8.150 nan 0.000 0.443 150 F N 0.140 120.185 119.950 0.158 0.000 2.234 150 F HA -0.053 4.480 4.527 0.010 0.000 0.299 150 F C 1.644 177.558 175.800 0.189 0.000 1.087 150 F CA 0.894 58.994 58.000 0.167 0.000 1.340 150 F CB -0.516 38.601 39.000 0.194 0.000 1.031 150 F HN 0.171 nan 8.300 nan 0.000 0.500 151 L N -0.191 121.146 121.223 0.190 0.000 2.127 151 L HA -0.185 4.161 4.340 0.010 0.000 0.211 151 L C 2.696 179.591 176.870 0.041 0.000 1.089 151 L CA 2.015 56.843 54.840 -0.019 0.000 0.757 151 L CB -1.284 40.899 42.059 0.207 0.000 0.899 151 L HN 0.270 nan 8.230 nan 0.000 0.434 152 S N -1.445 114.331 115.700 0.127 0.000 2.383 152 S HA -0.101 4.375 4.470 0.010 0.000 0.227 152 S C 2.138 176.864 174.600 0.209 0.000 1.026 152 S CA 0.979 59.281 58.200 0.170 0.000 0.981 152 S CB -0.208 63.068 63.200 0.126 0.000 0.818 152 S HN 0.584 nan 8.310 nan 0.000 0.472 153 A N 1.550 124.462 122.820 0.153 0.000 1.858 153 A HA -0.005 4.321 4.320 0.010 0.000 0.216 153 A C 2.057 179.684 177.584 0.071 0.000 1.190 153 A CA 1.534 53.651 52.037 0.135 0.000 0.617 153 A CB -0.876 18.244 19.000 0.199 0.000 0.827 153 A HN 0.592 nan 8.150 nan 0.000 0.443 154 I N -1.274 119.228 120.570 -0.114 0.000 2.248 154 I HA -0.319 3.858 4.170 0.010 0.000 0.248 154 I C 2.472 178.688 176.117 0.165 0.000 1.107 154 I CA 1.639 62.856 61.300 -0.139 0.000 1.373 154 I CB -0.337 37.284 38.000 -0.632 0.000 1.055 154 I HN 0.757 nan 8.210 nan 0.000 0.418 155 W N 1.665 122.950 121.300 -0.024 0.000 2.311 155 W HA -0.342 4.325 4.660 0.010 0.000 0.326 155 W C 2.433 178.987 176.519 0.059 0.000 1.239 155 W CA 1.413 58.774 57.345 0.027 0.000 1.258 155 W CB -0.553 28.921 29.460 0.024 0.000 1.165 155 W HN 0.136 nan 8.180 nan 0.000 0.466 156 L N 1.312 122.473 121.223 -0.105 0.000 2.034 156 L HA -0.259 4.087 4.340 0.010 0.000 0.217 156 L C 2.307 179.114 176.870 -0.104 0.000 1.077 156 L CA 3.092 57.811 54.840 -0.203 0.000 0.769 156 L CB -1.737 40.318 42.059 -0.006 0.000 0.890 156 L HN 0.383 nan 8.230 nan 0.000 0.435 157 W N -0.644 120.557 121.300 -0.164 0.000 2.381 157 W HA -0.207 4.459 4.660 0.010 0.000 0.301 157 W C 2.247 178.701 176.519 -0.108 0.000 1.205 157 W CA 1.608 58.867 57.345 -0.143 0.000 1.285 157 W CB -0.233 29.120 29.460 -0.177 0.000 1.133 157 W HN 0.082 nan 8.180 nan 0.000 0.521 158 M N 0.261 119.644 119.600 -0.361 0.000 2.132 158 M HA -0.154 4.332 4.480 0.010 0.000 0.263 158 M C 1.922 178.077 176.300 -0.240 0.000 1.065 158 M CA 1.321 56.348 55.300 -0.454 0.000 1.122 158 M CB -1.437 31.114 32.600 -0.083 0.000 1.365 158 M HN -0.020 nan 8.290 nan 0.000 0.411 159 V N 0.427 120.133 119.914 -0.347 0.000 2.490 159 V HA -0.238 3.888 4.120 0.010 0.000 0.250 159 V C 2.395 178.374 176.094 -0.192 0.000 1.061 159 V CA 1.229 63.308 62.300 -0.370 0.000 1.064 159 V CB -0.555 30.828 31.823 -0.733 0.000 0.670 159 V HN 0.398 nan 8.190 nan 0.000 0.461 160 L N -0.063 121.047 121.223 -0.188 0.000 2.131 160 L HA 0.046 4.392 4.340 0.010 0.000 0.206 160 L C 2.280 179.124 176.870 -0.044 0.000 1.087 160 L CA 1.637 56.409 54.840 -0.113 0.000 0.767 160 L CB -0.564 41.398 42.059 -0.160 0.000 0.917 160 L HN 0.456 nan 8.230 nan 0.000 0.441 161 G N -2.708 106.052 108.800 -0.067 0.000 3.062 161 G HA2 -0.028 3.938 3.960 0.010 0.000 0.228 161 G HA3 -0.028 3.938 3.960 0.010 0.000 0.228 161 G C 0.810 175.917 174.900 0.345 0.000 1.094 161 G CA -0.022 45.143 45.100 0.107 0.000 0.782 161 G HN 0.216 nan 8.290 nan 0.000 0.541 162 F N -0.278 119.709 119.950 0.061 0.000 2.083 162 F HA 0.406 4.939 4.527 0.010 0.000 0.259 162 F C 2.009 177.894 175.800 0.143 0.000 0.953 162 F CA -0.068 58.050 58.000 0.198 0.000 1.156 162 F CB -0.047 39.016 39.000 0.106 0.000 1.297 162 F HN -0.045 nan 8.300 nan 0.000 0.733 163 I N 0.630 121.256 120.570 0.092 0.000 2.163 163 I HA -0.206 3.971 4.170 0.010 0.000 0.240 163 I C 2.542 178.621 176.117 -0.063 0.000 1.081 163 I CA 1.454 62.741 61.300 -0.020 0.000 1.353 163 I CB -0.439 37.584 38.000 0.038 0.000 1.054 163 I HN 0.116 nan 8.210 nan 0.000 0.407 164 R N 0.875 121.363 120.500 -0.021 0.000 2.066 164 R HA -0.117 4.229 4.340 0.010 0.000 0.232 164 R C -0.437 175.867 176.300 0.007 0.000 1.131 164 R CA 1.572 57.679 56.100 0.010 0.000 0.955 164 R CB -1.053 29.289 30.300 0.070 0.000 0.851 164 R HN 0.200 nan 8.270 nan 0.000 0.432 165 P HA -0.158 nan 4.420 nan 0.000 0.216 165 P C 1.071 178.227 177.300 -0.240 0.000 1.150 165 P CA 1.362 64.455 63.100 -0.011 0.000 0.837 165 P CB -0.012 31.804 31.700 0.193 0.000 0.786 166 I N -1.438 118.931 120.570 -0.334 0.000 2.202 166 I HA -0.215 3.961 4.170 0.010 0.000 0.242 166 I C 2.326 178.278 176.117 -0.275 0.000 1.091 166 I CA 1.293 62.323 61.300 -0.451 0.000 1.368 166 I CB -0.587 37.111 38.000 -0.504 0.000 1.058 166 I HN -0.113 nan 8.210 nan 0.000 0.410 167 L N -0.185 120.932 121.223 -0.175 0.000 2.079 167 L HA -0.215 4.131 4.340 0.010 0.000 0.210 167 L C 2.300 179.112 176.870 -0.097 0.000 1.081 167 L CA 1.111 55.886 54.840 -0.108 0.000 0.752 167 L CB -0.359 41.666 42.059 -0.057 0.000 0.896 167 L HN 0.330 nan 8.230 nan 0.000 0.433 168 M N -0.698 118.847 119.600 -0.092 0.000 2.618 168 M HA 0.114 4.600 4.480 0.010 0.000 0.240 168 M C 1.588 177.820 176.300 -0.113 0.000 1.123 168 M CA 0.919 56.175 55.300 -0.073 0.000 1.060 168 M CB -0.778 31.807 32.600 -0.026 0.000 1.535 168 M HN 0.431 nan 8.290 nan 0.000 0.507 169 G N 1.435 110.131 108.800 -0.174 0.000 2.184 169 G HA2 -0.247 3.719 3.960 0.010 0.000 0.264 169 G HA3 -0.247 3.719 3.960 0.010 0.000 0.264 169 G C 0.275 175.025 174.900 -0.250 0.000 0.975 169 G CA 0.658 45.635 45.100 -0.205 0.000 0.642 169 G HN 0.662 nan 8.290 nan 0.000 0.536 170 S N -1.972 113.576 115.700 -0.254 0.000 2.546 170 S HA 0.582 5.058 4.470 0.010 0.000 0.274 170 S C 0.401 174.874 174.600 -0.212 0.000 1.121 170 S CA -0.066 57.993 58.200 -0.235 0.000 0.887 170 S CB 0.944 64.084 63.200 -0.099 0.000 1.094 170 S HN 0.360 nan 8.310 nan 0.000 0.474 171 W N 1.543 122.781 121.300 -0.104 0.000 2.519 171 W HA 0.010 4.675 4.660 0.009 0.000 0.266 171 W C 2.673 179.033 176.519 -0.265 0.000 1.253 171 W CA 0.505 57.756 57.345 -0.158 0.000 1.274 171 W CB 0.045 29.406 29.460 -0.166 0.000 1.114 171 W HN 0.937 nan 8.180 nan 0.000 0.596 172 S N 0.216 115.929 115.700 0.022 0.000 2.465 172 S HA -0.235 4.242 4.470 0.010 0.000 0.241 172 S C 1.473 176.086 174.600 0.023 0.000 1.000 172 S CA 1.579 59.756 58.200 -0.040 0.000 0.964 172 S CB -0.222 62.976 63.200 -0.003 0.000 0.763 172 S HN 0.223 nan 8.310 nan 0.000 0.512 173 E N 1.372 121.623 120.200 0.085 0.000 2.358 173 E HA 0.395 4.751 4.350 0.010 0.000 0.195 173 E C 0.809 177.644 176.600 0.390 0.000 1.010 173 E CA 0.520 57.048 56.400 0.214 0.000 0.856 173 E CB -0.042 29.758 29.700 0.168 0.000 0.795 173 E HN 0.750 nan 8.360 nan 0.000 0.504 174 A N -0.284 122.649 122.820 0.189 0.000 2.272 174 A HA 0.431 4.757 4.320 0.010 0.000 0.275 174 A C -0.249 177.261 177.584 -0.123 0.000 1.096 174 A CA -0.617 51.498 52.037 0.129 0.000 0.822 174 A CB 0.792 19.929 19.000 0.229 0.000 1.088 174 A HN 0.000 nan 8.150 nan 0.000 0.495 175 V N 2.917 122.586 119.914 -0.409 0.000 2.555 175 V HA 0.273 4.400 4.120 0.010 0.000 0.286 175 V C -1.793 174.098 176.094 -0.338 0.000 1.044 175 V CA -0.924 60.852 62.300 -0.873 0.000 1.026 175 V CB 0.754 32.022 31.823 -0.925 0.000 0.981 175 V HN 0.844 nan 8.190 nan 0.000 0.480 176 P HA 0.225 nan 4.420 nan 0.000 0.277 176 P C -1.430 175.864 177.300 -0.010 0.000 1.240 176 P CA -0.436 62.642 63.100 -0.037 0.000 0.798 176 P CB 0.539 32.296 31.700 0.096 0.000 0.979 177 Y N 0.618 121.139 120.300 0.369 0.000 2.477 177 Y HA 0.598 5.154 4.550 0.010 0.000 0.349 177 Y C 1.349 177.444 175.900 0.325 0.000 0.977 177 Y CA 0.328 58.575 58.100 0.246 0.000 1.214 177 Y CB 0.457 38.992 38.460 0.124 0.000 1.124 177 Y HN 0.611 nan 8.280 nan 0.000 0.521 178 G N 2.251 111.283 108.800 0.386 0.000 2.442 178 G HA2 0.287 4.253 3.960 0.010 0.000 0.296 178 G HA3 0.287 4.253 3.960 0.010 0.000 0.296 178 G C -0.245 174.773 174.900 0.198 0.000 1.564 178 G CA -0.790 44.547 45.100 0.395 0.000 0.828 178 G HN 0.277 nan 8.290 nan 0.000 0.571 179 I N 0.689 121.282 120.570 0.038 0.000 2.130 179 I HA 0.046 4.222 4.170 0.010 0.000 0.234 179 I C 2.562 178.772 176.117 0.155 0.000 1.067 179 I CA 1.246 62.471 61.300 -0.125 0.000 1.339 179 I CB -0.948 36.598 38.000 -0.756 0.000 1.073 179 I HN 0.467 nan 8.210 nan 0.000 0.405 180 F N 1.795 121.707 119.950 -0.063 0.000 2.234 180 F HA -0.133 4.400 4.527 0.010 0.000 0.299 180 F C 2.980 178.802 175.800 0.036 0.000 1.087 180 F CA 1.137 59.093 58.000 -0.074 0.000 1.340 180 F CB -1.559 37.287 39.000 -0.257 0.000 1.031 180 F HN 0.195 nan 8.300 nan 0.000 0.500 181 S N -0.172 115.698 115.700 0.283 0.000 2.383 181 S HA -0.223 4.253 4.470 0.010 0.000 0.227 181 S C 2.092 176.872 174.600 0.300 0.000 1.026 181 S CA 1.385 59.744 58.200 0.265 0.000 0.981 181 S CB -1.132 62.225 63.200 0.262 0.000 0.818 181 S HN 0.626 nan 8.310 nan 0.000 0.472 182 H N 1.660 120.839 119.070 0.182 0.000 2.546 182 H HA 0.215 4.777 4.556 0.010 0.000 0.277 182 H C 1.758 177.216 175.328 0.218 0.000 1.004 182 H CA 0.879 57.027 56.048 0.167 0.000 1.231 182 H CB -0.469 29.347 29.762 0.090 0.000 1.382 182 H HN 0.437 nan 8.280 nan 0.000 0.580 183 L N 0.504 121.644 121.223 -0.138 0.000 2.095 183 L HA -0.091 4.255 4.340 0.010 0.000 0.204 183 L C 2.286 179.169 176.870 0.022 0.000 1.080 183 L CA 1.047 55.800 54.840 -0.144 0.000 0.759 183 L CB -0.220 41.816 42.059 -0.039 0.000 0.914 183 L HN 0.108 nan 8.230 nan 0.000 0.439 184 D N -0.535 119.918 120.400 0.088 0.000 2.104 184 D HA -0.262 4.384 4.640 0.010 0.000 0.194 184 D C 1.692 178.081 176.300 0.147 0.000 0.994 184 D CA 1.270 55.327 54.000 0.095 0.000 0.830 184 D CB -0.335 40.530 40.800 0.108 0.000 0.959 184 D HN 0.387 nan 8.370 nan 0.000 0.452 185 W N 1.767 123.090 121.300 0.037 0.000 2.317 185 W HA -0.281 4.384 4.660 0.010 0.000 0.318 185 W C 2.362 178.933 176.519 0.086 0.000 1.227 185 W CA 2.627 60.015 57.345 0.071 0.000 1.269 185 W CB -0.506 29.004 29.460 0.084 0.000 1.155 185 W HN -0.120 nan 8.180 nan 0.000 0.484 186 T N 0.324 115.128 114.554 0.416 0.000 2.684 186 T HA -0.333 4.024 4.350 0.010 0.000 0.267 186 T C 1.715 176.449 174.700 0.058 0.000 1.036 186 T CA 1.716 63.963 62.100 0.245 0.000 1.148 186 T CB -0.840 68.132 68.868 0.173 0.000 0.863 186 T HN 0.428 nan 8.240 nan 0.000 0.436 187 N N 1.216 119.931 118.700 0.025 0.000 2.142 187 N HA -0.144 4.602 4.740 0.010 0.000 0.186 187 N C 1.911 177.392 175.510 -0.049 0.000 1.023 187 N CA 1.001 54.038 53.050 -0.022 0.000 0.852 187 N CB -0.319 38.153 38.487 -0.026 0.000 0.998 187 N HN 0.371 nan 8.380 nan 0.000 0.424 188 N N -0.210 118.449 118.700 -0.069 0.000 2.223 188 N HA -0.168 4.578 4.740 0.010 0.000 0.185 188 N C 1.687 177.082 175.510 -0.191 0.000 1.016 188 N CA 0.583 53.555 53.050 -0.130 0.000 0.863 188 N CB -0.195 38.208 38.487 -0.140 0.000 0.983 188 N HN 0.240 nan 8.380 nan 0.000 0.429 189 F N 1.277 120.995 119.950 -0.387 0.000 2.113 189 F HA -0.120 4.413 4.527 0.010 0.000 0.297 189 F C 2.922 178.680 175.800 -0.069 0.000 1.103 189 F CA 1.541 59.333 58.000 -0.347 0.000 1.248 189 F CB -0.719 37.916 39.000 -0.609 0.000 0.999 189 F HN -0.052 nan 8.300 nan 0.000 0.475 190 S N 0.355 116.125 115.700 0.116 0.000 2.368 190 S HA -0.176 4.300 4.470 0.010 0.000 0.225 190 S C 2.164 176.750 174.600 -0.024 0.000 1.030 190 S CA 1.599 59.829 58.200 0.049 0.000 0.999 190 S CB -0.641 62.515 63.200 -0.073 0.000 0.844 190 S HN 0.433 nan 8.310 nan 0.000 0.459 191 L N 0.931 122.107 121.223 -0.078 0.000 2.042 191 L HA -0.054 4.292 4.340 0.010 0.000 0.210 191 L C 2.480 179.266 176.870 -0.140 0.000 1.076 191 L CA 1.109 55.895 54.840 -0.091 0.000 0.749 191 L CB -0.558 41.442 42.059 -0.098 0.000 0.893 191 L HN 0.242 nan 8.230 nan 0.000 0.432 192 V N -1.395 118.365 119.914 -0.257 0.000 2.970 192 V HA -0.175 3.951 4.120 0.010 0.000 0.260 192 V C 1.353 177.115 176.094 -0.554 0.000 1.100 192 V CA 1.120 63.170 62.300 -0.417 0.000 1.122 192 V CB -0.689 30.814 31.823 -0.535 0.000 0.721 192 V HN 0.448 nan 8.190 nan 0.000 0.483 193 H N -0.317 118.620 119.070 -0.221 0.000 2.472 193 H HA 0.351 4.913 4.556 0.010 0.000 0.287 193 H C 1.634 176.989 175.328 0.044 0.000 1.112 193 H CA 0.579 56.538 56.048 -0.148 0.000 1.021 193 H CB 0.247 29.892 29.762 -0.196 0.000 1.635 193 H HN 0.399 nan 8.280 nan 0.000 0.559 194 G N 2.267 111.127 108.800 0.101 0.000 2.198 194 G HA2 -0.348 3.619 3.960 0.010 0.000 0.260 194 G HA3 -0.348 3.619 3.960 0.010 0.000 0.260 194 G C -0.066 175.032 174.900 0.329 0.000 1.025 194 G CA 0.446 45.654 45.100 0.179 0.000 0.769 194 G HN 0.640 nan 8.290 nan 0.000 0.507 195 N N -2.360 116.484 118.700 0.239 0.000 3.118 195 N HA -0.132 4.614 4.740 0.010 0.000 0.273 195 N C 0.779 176.408 175.510 0.199 0.000 1.781 195 N CA 0.713 53.877 53.050 0.190 0.000 1.752 195 N CB -1.027 37.639 38.487 0.299 0.000 0.755 195 N HN 0.440 nan 8.380 nan 0.000 0.493 196 L N 3.960 125.132 121.223 -0.085 0.000 2.456 196 L HA 0.130 4.476 4.340 0.010 0.000 0.224 196 L C 1.793 178.530 176.870 -0.221 0.000 1.148 196 L CA 0.941 55.626 54.840 -0.258 0.000 0.825 196 L CB -0.737 40.991 42.059 -0.552 0.000 0.937 196 L HN 0.600 nan 8.230 nan 0.000 0.450 197 F N -1.557 118.295 119.950 -0.163 0.000 2.333 197 F HA -0.196 4.337 4.527 0.011 0.000 0.300 197 F C 1.835 177.546 175.800 -0.149 0.000 1.083 197 F CA 0.681 58.610 58.000 -0.119 0.000 1.395 197 F CB -1.020 37.844 39.000 -0.228 0.000 1.056 197 F HN 0.172 nan 8.300 nan 0.000 0.529 198 Y N -1.429 119.031 120.300 0.267 0.000 2.466 198 Y HA 0.082 4.638 4.550 0.010 0.000 0.272 198 Y C 1.062 177.027 175.900 0.108 0.000 1.169 198 Y CA -0.428 57.838 58.100 0.277 0.000 1.285 198 Y CB -0.523 38.192 38.460 0.425 0.000 1.078 198 Y HN -0.162 nan 8.280 nan 0.000 0.523 199 N N 2.895 121.475 118.700 -0.200 0.000 2.420 199 N HA 0.026 4.772 4.740 0.010 0.000 0.262 199 N C -1.776 173.479 175.510 -0.426 0.000 1.144 199 N CA -1.837 50.616 53.050 -0.996 0.000 0.952 199 N CB 1.225 38.810 38.487 -1.503 0.000 1.081 199 N HN 0.026 nan 8.380 nan 0.000 0.480 200 P HA -0.119 nan 4.420 nan 0.000 0.218 200 P C 1.154 178.279 177.300 -0.293 0.000 1.149 200 P CA 1.162 64.126 63.100 -0.227 0.000 0.817 200 P CB 0.037 31.612 31.700 -0.209 0.000 0.785 201 F N -0.521 119.315 119.950 -0.189 0.000 2.186 201 F HA -0.140 4.393 4.527 0.011 0.000 0.299 201 F C 2.929 178.707 175.800 -0.037 0.000 1.090 201 F CA 1.264 59.220 58.000 -0.073 0.000 1.307 201 F CB -1.461 37.503 39.000 -0.061 0.000 1.019 201 F HN 0.087 nan 8.300 nan 0.000 0.489 202 H N 0.010 119.070 119.070 -0.017 0.000 2.319 202 H HA -0.137 4.425 4.556 0.010 0.000 0.299 202 H C 2.402 177.721 175.328 -0.016 0.000 1.092 202 H CA 1.617 57.655 56.048 -0.016 0.000 1.302 202 H CB -0.582 29.139 29.762 -0.068 0.000 1.373 202 H HN 0.330 nan 8.280 nan 0.000 0.497 203 G N 0.697 109.455 108.800 -0.070 0.000 2.470 203 G HA2 -0.188 3.779 3.960 0.010 0.000 0.220 203 G HA3 -0.188 3.779 3.960 0.010 0.000 0.220 203 G C 1.718 176.488 174.900 -0.216 0.000 1.121 203 G CA 0.519 45.524 45.100 -0.159 0.000 0.766 203 G HN 0.311 nan 8.290 nan 0.000 0.553 204 L N 0.394 121.530 121.223 -0.145 0.000 2.127 204 L HA 0.216 4.562 4.340 0.010 0.000 0.203 204 L C 2.944 179.778 176.870 -0.061 0.000 1.080 204 L CA 1.564 56.310 54.840 -0.157 0.000 0.768 204 L CB -0.773 41.285 42.059 -0.002 0.000 0.924 204 L HN 0.211 nan 8.230 nan 0.000 0.444 205 S N -0.401 115.346 115.700 0.079 0.000 2.372 205 S HA -0.233 4.244 4.470 0.010 0.000 0.227 205 S C 2.069 176.623 174.600 -0.077 0.000 1.044 205 S CA 1.922 60.189 58.200 0.112 0.000 1.050 205 S CB -0.324 62.904 63.200 0.047 0.000 0.901 205 S HN 0.387 nan 8.310 nan 0.000 0.447 206 I N 1.326 121.708 120.570 -0.313 0.000 2.163 206 I HA -0.233 3.944 4.170 0.010 0.000 0.243 206 I C 2.657 178.431 176.117 -0.572 0.000 1.085 206 I CA 1.198 62.179 61.300 -0.533 0.000 1.347 206 I CB -0.484 37.114 38.000 -0.670 0.000 1.044 206 I HN 0.351 nan 8.210 nan 0.000 0.408 207 A N 0.576 123.128 122.820 -0.447 0.000 1.908 207 A HA -0.225 4.102 4.320 0.010 0.000 0.218 207 A C 2.029 179.459 177.584 -0.257 0.000 1.181 207 A CA 1.783 53.589 52.037 -0.386 0.000 0.627 207 A CB -0.926 17.761 19.000 -0.522 0.000 0.818 207 A HN 0.371 nan 8.150 nan 0.000 0.445 208 F N -1.147 118.796 119.950 -0.011 0.000 2.293 208 F HA 0.035 4.568 4.527 0.010 0.000 0.297 208 F C 1.947 177.797 175.800 0.084 0.000 1.089 208 F CA 0.834 58.873 58.000 0.064 0.000 1.377 208 F CB -0.601 38.452 39.000 0.088 0.000 1.051 208 F HN 0.243 nan 8.300 nan 0.000 0.511 209 L N -0.927 120.412 121.223 0.193 0.000 2.023 209 L HA -0.184 4.162 4.340 0.010 0.000 0.205 209 L C 2.298 179.330 176.870 0.270 0.000 1.073 209 L CA 1.813 56.764 54.840 0.186 0.000 0.745 209 L CB -1.094 41.028 42.059 0.105 0.000 0.900 209 L HN 0.014 nan 8.230 nan 0.000 0.435 210 Y N 0.505 120.855 120.300 0.082 0.000 2.114 210 Y HA -0.160 4.396 4.550 0.010 0.000 0.282 210 Y C 2.615 178.564 175.900 0.082 0.000 1.165 210 Y CA 0.981 59.119 58.100 0.063 0.000 1.148 210 Y CB -1.762 36.710 38.460 0.019 0.000 0.972 210 Y HN 0.292 nan 8.280 nan 0.000 0.504 211 G N -1.178 107.778 108.800 0.260 0.000 2.450 211 G HA2 -0.226 3.741 3.960 0.010 0.000 0.220 211 G HA3 -0.226 3.741 3.960 0.010 0.000 0.220 211 G C 1.907 176.931 174.900 0.206 0.000 1.130 211 G CA 1.263 46.484 45.100 0.202 0.000 0.760 211 G HN 0.419 nan 8.290 nan 0.000 0.557 212 S N 0.811 116.653 115.700 0.236 0.000 2.402 212 S HA 0.091 4.567 4.470 0.010 0.000 0.229 212 S C 2.741 177.483 174.600 0.236 0.000 1.021 212 S CA 0.987 59.320 58.200 0.222 0.000 0.974 212 S CB -0.207 63.128 63.200 0.224 0.000 0.800 212 S HN 0.585 nan 8.310 nan 0.000 0.484 213 A N 1.750 124.702 122.820 0.219 0.000 1.873 213 A HA 0.005 4.332 4.320 0.010 0.000 0.215 213 A C 2.095 179.779 177.584 0.167 0.000 1.186 213 A CA 1.260 53.412 52.037 0.190 0.000 0.616 213 A CB -0.821 18.267 19.000 0.147 0.000 0.823 213 A HN 0.412 nan 8.150 nan 0.000 0.442 214 L N -0.564 120.741 121.223 0.137 0.000 1.990 214 L HA -0.180 4.166 4.340 0.010 0.000 0.213 214 L C 2.209 179.140 176.870 0.101 0.000 1.072 214 L CA 2.398 57.297 54.840 0.099 0.000 0.755 214 L CB -0.758 41.342 42.059 0.068 0.000 0.889 214 L HN 0.329 nan 8.230 nan 0.000 0.432 215 L N -1.803 119.483 121.223 0.105 0.000 2.109 215 L HA -0.118 4.228 4.340 0.010 0.000 0.207 215 L C 2.170 179.160 176.870 0.200 0.000 1.086 215 L CA 1.595 56.473 54.840 0.064 0.000 0.760 215 L CB -0.818 41.258 42.059 0.028 0.000 0.910 215 L HN 0.319 nan 8.230 nan 0.000 0.437 216 F N -0.206 119.807 119.950 0.105 0.000 2.416 216 F HA 0.183 4.716 4.527 0.010 0.000 0.296 216 F C 2.305 178.188 175.800 0.139 0.000 1.099 216 F CA 0.366 58.454 58.000 0.145 0.000 1.427 216 F CB -0.852 38.227 39.000 0.131 0.000 1.079 216 F HN 0.155 nan 8.300 nan 0.000 0.536 217 A N 0.493 123.489 122.820 0.293 0.000 1.851 217 A HA -0.254 4.072 4.320 0.010 0.000 0.216 217 A C 2.345 180.062 177.584 0.220 0.000 1.195 217 A CA 2.113 54.257 52.037 0.180 0.000 0.622 217 A CB -0.857 18.223 19.000 0.134 0.000 0.831 217 A HN 0.359 nan 8.150 nan 0.000 0.444 218 M N -1.929 117.817 119.600 0.243 0.000 2.088 218 M HA -0.254 4.232 4.480 0.010 0.000 0.256 218 M C 2.319 178.857 176.300 0.397 0.000 1.071 218 M CA 2.402 57.900 55.300 0.331 0.000 1.097 218 M CB -0.578 32.055 32.600 0.055 0.000 1.315 218 M HN 0.747 nan 8.290 nan 0.000 0.406 219 H N -0.463 118.768 119.070 0.268 0.000 2.343 219 H HA 0.024 4.586 4.556 0.010 0.000 0.303 219 H C 1.958 177.469 175.328 0.305 0.000 1.068 219 H CA 2.038 58.269 56.048 0.305 0.000 1.359 219 H CB -0.613 29.269 29.762 0.201 0.000 1.402 219 H HN 0.303 nan 8.280 nan 0.000 0.515 220 G N 0.202 109.154 108.800 0.254 0.000 2.446 220 G HA2 -0.301 3.665 3.960 0.010 0.000 0.217 220 G HA3 -0.301 3.665 3.960 0.010 0.000 0.217 220 G C 1.915 176.810 174.900 -0.008 0.000 1.168 220 G CA 1.174 46.311 45.100 0.062 0.000 0.771 220 G HN 0.617 nan 8.290 nan 0.000 0.551 221 A N 0.143 122.992 122.820 0.047 0.000 1.902 221 A HA -0.007 4.319 4.320 0.010 0.000 0.217 221 A C 2.549 180.110 177.584 -0.038 0.000 1.181 221 A CA 2.529 54.561 52.037 -0.007 0.000 0.623 221 A CB -0.821 18.191 19.000 0.020 0.000 0.818 221 A HN 0.328 nan 8.150 nan 0.000 0.443 222 T N 0.143 114.732 114.554 0.059 0.000 2.851 222 T HA 0.008 4.364 4.350 0.010 0.000 0.262 222 T C 1.774 176.534 174.700 0.101 0.000 1.043 222 T CA 1.058 63.203 62.100 0.075 0.000 1.140 222 T CB -0.200 68.906 68.868 0.395 0.000 0.872 222 T HN 0.272 nan 8.240 nan 0.000 0.446 223 I N 1.438 122.013 120.570 0.009 0.000 2.286 223 I HA -0.062 4.114 4.170 0.010 0.000 0.248 223 I C 2.277 178.344 176.117 -0.083 0.000 1.115 223 I CA 1.172 62.412 61.300 -0.100 0.000 1.392 223 I CB -1.131 36.715 38.000 -0.257 0.000 1.065 223 I HN 0.275 nan 8.210 nan 0.000 0.418 224 L N 0.565 121.729 121.223 -0.098 0.000 2.056 224 L HA -0.163 4.183 4.340 0.010 0.000 0.207 224 L C 2.851 179.654 176.870 -0.111 0.000 1.078 224 L CA 1.267 56.036 54.840 -0.119 0.000 0.749 224 L CB -0.774 41.197 42.059 -0.145 0.000 0.901 224 L HN 0.167 nan 8.230 nan 0.000 0.433 225 A N 0.266 123.025 122.820 -0.101 0.000 1.917 225 A HA -0.195 4.132 4.320 0.010 0.000 0.219 225 A C 2.020 179.594 177.584 -0.018 0.000 1.182 225 A CA 2.245 54.224 52.037 -0.098 0.000 0.633 225 A CB -0.892 18.006 19.000 -0.170 0.000 0.819 225 A HN 0.377 nan 8.150 nan 0.000 0.448 226 V N -1.576 118.372 119.914 0.057 0.000 3.514 226 V HA 0.116 4.242 4.120 0.010 0.000 0.301 226 V C 1.688 177.834 176.094 0.087 0.000 1.346 226 V CA 1.030 63.461 62.300 0.220 0.000 1.156 226 V CB -0.793 31.223 31.823 0.321 0.000 1.029 226 V HN 0.622 nan 8.190 nan 0.000 0.428 227 S N 2.296 117.965 115.700 -0.052 0.000 2.474 227 S HA -0.211 4.266 4.470 0.010 0.000 0.235 227 S C 1.944 176.452 174.600 -0.152 0.000 0.997 227 S CA 1.164 59.315 58.200 -0.082 0.000 0.949 227 S CB -0.699 62.445 63.200 -0.093 0.000 0.766 227 S HN 0.873 nan 8.310 nan 0.000 0.517 228 R N 0.308 120.609 120.500 -0.331 0.000 2.280 228 R HA 0.096 4.442 4.340 0.010 0.000 0.207 228 R C 0.349 176.253 176.300 -0.661 0.000 1.043 228 R CA 0.865 56.658 56.100 -0.512 0.000 1.006 228 R CB -0.680 29.223 30.300 -0.661 0.000 0.885 228 R HN 0.575 nan 8.270 nan 0.000 0.467 229 F N 0.362 120.309 119.950 -0.006 0.000 2.708 229 F HA 0.472 5.005 4.527 0.010 0.000 0.300 229 F C 1.076 176.868 175.800 -0.013 0.000 1.118 229 F CA -0.215 57.783 58.000 -0.004 0.000 1.307 229 F CB 1.130 40.131 39.000 0.001 0.000 0.986 229 F HN 0.170 nan 8.300 nan 0.000 0.522 230 G N 0.725 109.561 108.800 0.059 0.000 2.160 230 G HA2 -0.270 3.696 3.960 0.010 0.000 0.244 230 G HA3 -0.270 3.696 3.960 0.010 0.000 0.244 230 G C 1.346 176.260 174.900 0.024 0.000 1.022 230 G CA 0.149 45.269 45.100 0.032 0.000 0.741 230 G HN 0.673 nan 8.290 nan 0.000 0.508 231 G N 0.955 109.774 108.800 0.032 0.000 2.450 231 G HA2 -0.093 3.873 3.960 0.010 0.000 0.220 231 G HA3 -0.093 3.873 3.960 0.010 0.000 0.220 231 G C 1.476 176.336 174.900 -0.067 0.000 1.130 231 G CA 1.505 46.596 45.100 -0.014 0.000 0.760 231 G HN 0.871 nan 8.290 nan 0.000 0.557 232 E N 0.997 121.163 120.200 -0.057 0.000 2.418 232 E HA -0.087 4.269 4.350 0.010 0.000 0.197 232 E C 1.056 177.626 176.600 -0.051 0.000 1.026 232 E CA 0.104 56.468 56.400 -0.060 0.000 0.862 232 E CB -0.247 29.419 29.700 -0.057 0.000 0.799 232 E HN 0.319 nan 8.360 nan 0.000 0.518 233 R N 1.635 122.107 120.500 -0.046 0.000 4.556 233 R HA 0.116 4.463 4.340 0.010 0.000 0.197 233 R C 0.901 177.167 176.300 -0.058 0.000 1.791 233 R CA -0.029 56.044 56.100 -0.045 0.000 1.526 233 R CB 0.010 30.292 30.300 -0.030 0.000 1.410 233 R HN 0.280 nan 8.270 nan 0.000 0.826 234 E N 0.687 120.843 120.200 -0.073 0.000 2.077 234 E HA -0.209 4.147 4.350 0.010 0.000 0.193 234 E C 1.446 177.990 176.600 -0.095 0.000 0.989 234 E CA 1.068 57.414 56.400 -0.090 0.000 0.800 234 E CB 0.032 29.679 29.700 -0.089 0.000 0.746 234 E HN 0.453 nan 8.360 nan 0.000 0.452 235 L N 0.763 121.926 121.223 -0.101 0.000 2.012 235 L HA -0.221 4.125 4.340 0.010 0.000 0.210 235 L C 2.609 179.444 176.870 -0.059 0.000 1.073 235 L CA 1.285 56.071 54.840 -0.090 0.000 0.748 235 L CB -0.266 41.738 42.059 -0.092 0.000 0.891 235 L HN 0.086 nan 8.230 nan 0.000 0.431 236 E N -0.395 119.776 120.200 -0.048 0.000 2.150 236 E HA -0.204 4.152 4.350 0.010 0.000 0.193 236 E C 2.233 178.818 176.600 -0.025 0.000 0.985 236 E CA 0.956 57.337 56.400 -0.031 0.000 0.814 236 E CB 0.065 29.750 29.700 -0.024 0.000 0.752 236 E HN 0.326 nan 8.360 nan 0.000 0.466 237 Q N -0.276 119.503 119.800 -0.034 0.000 2.224 237 Q HA -0.084 4.262 4.340 0.010 0.000 0.203 237 Q C 2.260 178.248 176.000 -0.021 0.000 0.970 237 Q CA 0.897 56.682 55.803 -0.030 0.000 0.865 237 Q CB 0.007 28.713 28.738 -0.054 0.000 0.922 237 Q HN 0.455 nan 8.270 nan 0.000 0.445 238 I N 0.341 120.895 120.570 -0.028 0.000 2.226 238 I HA -0.235 3.941 4.170 0.010 0.000 0.245 238 I C 2.204 178.321 176.117 0.000 0.000 1.100 238 I CA 1.189 62.483 61.300 -0.010 0.000 1.374 238 I CB -0.258 37.727 38.000 -0.024 0.000 1.057 238 I HN 0.044 nan 8.210 nan 0.000 0.413 239 A N -1.145 121.670 122.820 -0.009 0.000 2.072 239 A HA -0.076 4.250 4.320 0.010 0.000 0.216 239 A C 0.779 178.365 177.584 0.003 0.000 1.156 239 A CA 0.941 52.976 52.037 -0.003 0.000 0.701 239 A CB 0.051 19.045 19.000 -0.011 0.000 0.816 239 A HN 0.362 nan 8.150 nan 0.000 0.458 240 D N -0.647 119.755 120.400 0.004 0.000 2.668 240 D HA 0.107 4.753 4.640 0.010 0.000 0.247 240 D C -0.477 175.829 176.300 0.011 0.000 1.268 240 D CA -0.439 53.566 54.000 0.008 0.000 0.842 240 D CB -0.022 40.780 40.800 0.005 0.000 1.399 240 D HN 0.226 nan 8.370 nan 0.000 0.530 241 R N 0.802 121.313 120.500 0.019 0.000 2.500 241 R HA 0.296 4.642 4.340 0.010 0.000 0.281 241 R C 0.231 176.542 176.300 0.018 0.000 0.953 241 R CA 0.757 56.872 56.100 0.025 0.000 1.108 241 R CB 0.328 30.653 30.300 0.042 0.000 0.901 241 R HN 0.383 nan 8.270 nan 0.000 0.410 242 G N 0.605 109.413 108.800 0.014 0.000 2.714 242 G HA2 0.125 4.091 3.960 0.010 0.000 0.292 242 G HA3 0.125 4.091 3.960 0.010 0.000 0.292 242 G C 0.370 175.260 174.900 -0.016 0.000 1.308 242 G CA -0.362 44.741 45.100 0.006 0.000 0.964 242 G HN 0.553 nan 8.290 nan 0.000 0.484 243 T N -0.183 114.339 114.554 -0.054 0.000 2.881 243 T HA -0.066 4.290 4.350 0.010 0.000 0.270 243 T C 2.547 177.101 174.700 -0.244 0.000 1.068 243 T CA 2.508 64.507 62.100 -0.169 0.000 1.131 243 T CB -0.481 68.229 68.868 -0.263 0.000 0.871 243 T HN 0.700 nan 8.240 nan 0.000 0.479 244 A N 1.174 123.938 122.820 -0.094 0.000 1.865 244 A HA 0.144 4.471 4.320 0.010 0.000 0.217 244 A C 2.752 180.381 177.584 0.074 0.000 1.191 244 A CA 2.111 54.175 52.037 0.046 0.000 0.623 244 A CB -1.445 17.649 19.000 0.158 0.000 0.826 244 A HN 0.641 nan 8.150 nan 0.000 0.444 245 A N -0.378 122.475 122.820 0.055 0.000 1.933 245 A HA -0.187 4.139 4.320 0.010 0.000 0.218 245 A C 1.936 179.682 177.584 0.271 0.000 1.175 245 A CA 1.728 53.852 52.037 0.145 0.000 0.628 245 A CB -0.551 18.492 19.000 0.071 0.000 0.814 245 A HN 0.675 nan 8.150 nan 0.000 0.444 246 E N -0.509 119.749 120.200 0.097 0.000 2.047 246 E HA -0.180 4.176 4.350 0.010 0.000 0.191 246 E C 2.355 178.939 176.600 -0.026 0.000 0.987 246 E CA 1.198 57.620 56.400 0.036 0.000 0.799 246 E CB -0.183 29.498 29.700 -0.032 0.000 0.752 246 E HN 0.570 nan 8.360 nan 0.000 0.449 247 R N 0.111 120.564 120.500 -0.078 0.000 2.075 247 R HA -0.152 4.195 4.340 0.010 0.000 0.232 247 R C 2.053 178.322 176.300 -0.052 0.000 1.126 247 R CA 1.481 57.490 56.100 -0.152 0.000 0.963 247 R CB -0.470 29.697 30.300 -0.223 0.000 0.858 247 R HN 0.293 nan 8.270 nan 0.000 0.435 248 W N 1.746 122.994 121.300 -0.086 0.000 2.302 248 W HA -0.308 4.359 4.660 0.010 0.000 0.320 248 W C 2.245 178.810 176.519 0.077 0.000 1.241 248 W CA 2.216 59.566 57.345 0.008 0.000 1.264 248 W CB -0.500 28.999 29.460 0.066 0.000 1.154 248 W HN 0.114 nan 8.180 nan 0.000 0.483 249 A N 0.147 122.942 122.820 -0.042 0.000 1.940 249 A HA -0.185 4.142 4.320 0.010 0.000 0.219 249 A C 2.115 179.504 177.584 -0.325 0.000 1.176 249 A CA 1.955 53.799 52.037 -0.320 0.000 0.631 249 A CB -1.005 17.987 19.000 -0.014 0.000 0.814 249 A HN 0.477 nan 8.150 nan 0.000 0.446 250 L N -2.396 118.603 121.223 -0.374 0.000 2.341 250 L HA 0.027 4.373 4.340 0.010 0.000 0.214 250 L C 2.267 178.635 176.870 -0.836 0.000 1.115 250 L CA 0.526 54.937 54.840 -0.714 0.000 0.820 250 L CB -0.300 41.206 42.059 -0.922 0.000 0.944 250 L HN 0.530 nan 8.230 nan 0.000 0.452 251 F N -0.058 119.479 119.950 -0.687 0.000 2.091 251 F HA -0.285 4.248 4.527 0.010 0.000 0.299 251 F C 1.871 177.297 175.800 -0.623 0.000 1.103 251 F CA 1.879 59.474 58.000 -0.676 0.000 1.228 251 F CB -0.205 38.305 39.000 -0.816 0.000 0.984 251 F HN 0.012 nan 8.300 nan 0.000 0.477 252 W N 0.011 121.060 121.300 -0.419 0.000 2.523 252 W HA 0.068 4.735 4.660 0.011 0.000 0.278 252 W C 2.687 178.931 176.519 -0.459 0.000 1.236 252 W CA 0.556 57.611 57.345 -0.482 0.000 1.306 252 W CB -0.313 28.842 29.460 -0.507 0.000 1.101 252 W HN -0.141 nan 8.180 nan 0.000 0.577 253 R N -0.068 120.315 120.500 -0.196 0.000 2.070 253 R HA -0.179 4.167 4.340 0.010 0.000 0.233 253 R C 1.897 178.230 176.300 0.054 0.000 1.137 253 R CA 2.186 58.232 56.100 -0.089 0.000 0.945 253 R CB -0.718 29.525 30.300 -0.096 0.000 0.845 253 R HN 0.075 nan 8.270 nan 0.000 0.430 254 W N 0.336 121.515 121.300 -0.202 0.000 2.425 254 W HA 0.024 4.690 4.660 0.010 0.000 0.277 254 W C 2.032 178.392 176.519 -0.265 0.000 1.231 254 W CA 0.948 58.167 57.345 -0.210 0.000 1.248 254 W CB -1.063 28.264 29.460 -0.221 0.000 1.117 254 W HN 0.164 nan 8.180 nan 0.000 0.568 255 T N 0.859 115.295 114.554 -0.197 0.000 2.684 255 T HA -0.111 4.245 4.350 0.010 0.000 0.253 255 T C 1.763 176.422 174.700 -0.068 0.000 1.057 255 T CA 1.795 63.740 62.100 -0.258 0.000 1.162 255 T CB -0.399 68.111 68.868 -0.597 0.000 0.868 255 T HN 0.166 nan 8.240 nan 0.000 0.409 256 M N -0.243 119.339 119.600 -0.030 0.000 2.371 256 M HA 0.522 5.008 4.480 0.010 0.000 0.246 256 M C 1.411 177.774 176.300 0.104 0.000 1.103 256 M CA 0.591 55.908 55.300 0.029 0.000 1.010 256 M CB 0.679 33.269 32.600 -0.017 0.000 1.457 256 M HN 0.392 nan 8.290 nan 0.000 0.486 257 G N 2.095 110.932 108.800 0.062 0.000 2.176 257 G HA2 -0.272 3.694 3.960 0.010 0.000 0.253 257 G HA3 -0.272 3.694 3.960 0.010 0.000 0.253 257 G C -0.175 174.877 174.900 0.254 0.000 0.979 257 G CA 0.477 45.670 45.100 0.154 0.000 0.641 257 G HN 0.797 nan 8.290 nan 0.000 0.530 258 F N -0.169 119.791 119.950 0.016 0.000 2.715 258 F HA 0.812 5.345 4.527 0.010 0.000 0.318 258 F C -0.689 175.095 175.800 -0.025 0.000 1.141 258 F CA -1.145 56.858 58.000 0.005 0.000 0.950 258 F CB 0.909 39.910 39.000 0.002 0.000 1.374 258 F HN 0.578 nan 8.300 nan 0.000 0.477 259 N N 0.152 118.841 118.700 -0.019 0.000 3.227 259 N HA 0.701 5.447 4.740 0.010 0.000 0.241 259 N C -2.012 173.495 175.510 -0.005 0.000 1.480 259 N CA -0.779 52.148 53.050 -0.206 0.000 0.886 259 N CB 1.377 39.740 38.487 -0.207 0.000 1.406 259 N HN 1.032 nan 8.380 nan 0.000 0.514 260 A N -0.495 122.260 122.820 -0.107 0.000 2.284 260 A HA 0.876 5.202 4.320 0.010 0.000 0.317 260 A C -0.118 177.670 177.584 0.340 0.000 1.120 260 A CA -0.111 52.027 52.037 0.169 0.000 0.900 260 A CB 0.537 19.686 19.000 0.248 0.000 1.319 260 A HN 0.937 nan 8.150 nan 0.000 0.494 261 T N -2.685 112.166 114.554 0.496 0.000 2.952 261 T HA 0.440 4.796 4.350 0.010 0.000 0.286 261 T C 0.851 175.835 174.700 0.473 0.000 1.024 261 T CA -0.247 62.151 62.100 0.497 0.000 1.029 261 T CB 1.013 70.049 68.868 0.281 0.000 1.094 261 T HN 0.454 nan 8.240 nan 0.000 0.515 262 M N 0.358 120.060 119.600 0.171 0.000 2.213 262 M HA -0.003 4.483 4.480 0.010 0.000 0.263 262 M C 2.110 178.500 176.300 0.150 0.000 1.062 262 M CA 1.670 56.914 55.300 -0.093 0.000 1.105 262 M CB -0.718 31.787 32.600 -0.158 0.000 1.385 262 M HN 0.908 nan 8.290 nan 0.000 0.417 263 E N -1.211 119.086 120.200 0.161 0.000 2.021 263 E HA -0.089 4.268 4.350 0.010 0.000 0.189 263 E C 1.997 178.741 176.600 0.240 0.000 0.980 263 E CA 1.038 57.545 56.400 0.179 0.000 0.803 263 E CB -0.607 29.153 29.700 0.099 0.000 0.766 263 E HN 0.565 nan 8.360 nan 0.000 0.449 264 G N 1.673 110.608 108.800 0.226 0.000 2.550 264 G HA2 -0.309 3.657 3.960 0.010 0.000 0.222 264 G HA3 -0.309 3.657 3.960 0.010 0.000 0.222 264 G C 1.527 176.616 174.900 0.314 0.000 1.113 264 G CA 1.062 46.304 45.100 0.236 0.000 0.748 264 G HN 0.354 nan 8.290 nan 0.000 0.585 265 I N 0.446 121.213 120.570 0.328 0.000 2.361 265 I HA -0.090 4.086 4.170 0.010 0.000 0.251 265 I C 2.312 178.374 176.117 -0.091 0.000 1.133 265 I CA 1.136 62.557 61.300 0.202 0.000 1.413 265 I CB -0.330 37.743 38.000 0.121 0.000 1.073 265 I HN 0.305 nan 8.210 nan 0.000 0.424 266 H N -0.502 118.592 119.070 0.041 0.000 2.470 266 H HA 0.093 4.655 4.556 0.010 0.000 0.289 266 H C 2.263 177.599 175.328 0.013 0.000 1.033 266 H CA 0.934 56.953 56.048 -0.048 0.000 1.331 266 H CB -0.036 29.679 29.762 -0.078 0.000 1.414 266 H HN 0.246 nan 8.280 nan 0.000 0.545 267 R N -0.284 120.309 120.500 0.156 0.000 2.066 267 R HA -0.151 4.195 4.340 0.010 0.000 0.232 267 R C 1.669 178.085 176.300 0.194 0.000 1.131 267 R CA 1.480 57.672 56.100 0.153 0.000 0.955 267 R CB -0.455 29.912 30.300 0.111 0.000 0.851 267 R HN 0.391 nan 8.270 nan 0.000 0.432 268 W N 1.165 122.542 121.300 0.129 0.000 2.318 268 W HA -0.242 4.424 4.660 0.010 0.000 0.313 268 W C 2.637 179.180 176.519 0.040 0.000 1.221 268 W CA 1.321 58.724 57.345 0.096 0.000 1.266 268 W CB -0.391 29.080 29.460 0.017 0.000 1.150 268 W HN 0.215 nan 8.180 nan 0.000 0.496 269 A N 0.382 123.296 122.820 0.156 0.000 1.834 269 A HA -0.255 4.072 4.320 0.010 0.000 0.216 269 A C 1.915 179.503 177.584 0.007 0.000 1.203 269 A CA 1.864 53.889 52.037 -0.019 0.000 0.621 269 A CB -1.299 17.566 19.000 -0.225 0.000 0.841 269 A HN 0.345 nan 8.150 nan 0.000 0.446 270 I N -2.041 118.509 120.570 -0.034 0.000 2.315 270 I HA -0.308 3.868 4.170 0.010 0.000 0.251 270 I C 2.253 178.247 176.117 -0.205 0.000 1.125 270 I CA 1.737 62.952 61.300 -0.142 0.000 1.392 270 I CB -0.099 37.775 38.000 -0.210 0.000 1.065 270 I HN 0.634 nan 8.210 nan 0.000 0.424 271 W N -0.227 121.078 121.300 0.007 0.000 2.441 271 W HA -0.142 4.524 4.660 0.010 0.000 0.302 271 W C 2.472 178.954 176.519 -0.061 0.000 1.191 271 W CA 0.756 58.076 57.345 -0.043 0.000 1.327 271 W CB -0.440 28.968 29.460 -0.087 0.000 1.128 271 W HN 0.104 nan 8.180 nan 0.000 0.522 272 M N 1.275 121.037 119.600 0.270 0.000 2.089 272 M HA -0.257 4.229 4.480 0.010 0.000 0.257 272 M C 2.016 178.400 176.300 0.140 0.000 1.071 272 M CA 2.575 58.019 55.300 0.240 0.000 1.096 272 M CB -0.904 31.866 32.600 0.284 0.000 1.330 272 M HN -0.004 nan 8.290 nan 0.000 0.403 273 A N -1.257 121.626 122.820 0.105 0.000 1.832 273 A HA -0.083 4.243 4.320 0.010 0.000 0.214 273 A C 2.170 179.789 177.584 0.058 0.000 1.200 273 A CA 1.830 53.922 52.037 0.091 0.000 0.610 273 A CB -1.382 17.657 19.000 0.065 0.000 0.842 273 A HN 0.357 nan 8.150 nan 0.000 0.444 274 V N 0.239 120.158 119.914 0.008 0.000 2.439 274 V HA -0.276 3.850 4.120 0.010 0.000 0.253 274 V C 2.413 178.525 176.094 0.031 0.000 1.074 274 V CA 2.078 64.376 62.300 -0.002 0.000 1.076 274 V CB -0.616 31.114 31.823 -0.154 0.000 0.664 274 V HN 0.546 nan 8.190 nan 0.000 0.461 275 L N -1.252 119.938 121.223 -0.055 0.000 2.478 275 L HA -0.041 4.305 4.340 0.010 0.000 0.223 275 L C 2.176 178.970 176.870 -0.126 0.000 1.140 275 L CA 0.168 54.855 54.840 -0.255 0.000 0.842 275 L CB -0.210 41.277 42.059 -0.954 0.000 0.953 275 L HN 0.198 nan 8.230 nan 0.000 0.452 276 V N 0.082 120.027 119.914 0.051 0.000 2.237 276 V HA -0.280 3.847 4.120 0.010 0.000 0.245 276 V C 2.605 178.811 176.094 0.188 0.000 1.046 276 V CA 2.585 65.003 62.300 0.197 0.000 1.007 276 V CB -0.720 31.215 31.823 0.187 0.000 0.638 276 V HN 0.635 nan 8.190 nan 0.000 0.445 277 T N -1.744 112.914 114.554 0.173 0.000 3.055 277 T HA -0.031 4.325 4.350 0.010 0.000 0.265 277 T C 1.717 176.602 174.700 0.308 0.000 1.111 277 T CA 0.960 63.182 62.100 0.203 0.000 1.118 277 T CB -0.062 68.923 68.868 0.194 0.000 0.909 277 T HN 0.241 nan 8.240 nan 0.000 0.501 278 L N 2.737 124.129 121.223 0.281 0.000 2.049 278 L HA 0.067 4.413 4.340 0.010 0.000 0.203 278 L C 2.746 179.824 176.870 0.347 0.000 1.074 278 L CA 2.347 57.380 54.840 0.321 0.000 0.749 278 L CB -1.262 40.885 42.059 0.146 0.000 0.907 278 L HN 0.457 nan 8.230 nan 0.000 0.439 279 T N -3.271 111.461 114.554 0.296 0.000 2.777 279 T HA -0.061 4.295 4.350 0.010 0.000 0.266 279 T C 1.998 176.886 174.700 0.314 0.000 1.040 279 T CA 0.908 63.243 62.100 0.392 0.000 1.141 279 T CB -1.580 67.583 68.868 0.492 0.000 0.868 279 T HN 0.375 nan 8.240 nan 0.000 0.444 280 G N 1.504 110.456 108.800 0.252 0.000 2.491 280 G HA2 -0.007 3.959 3.960 0.010 0.000 0.218 280 G HA3 -0.007 3.959 3.960 0.010 0.000 0.218 280 G C 1.765 176.714 174.900 0.082 0.000 1.180 280 G CA 0.780 45.980 45.100 0.166 0.000 0.774 280 G HN 0.680 nan 8.290 nan 0.000 0.562 281 G N 0.713 109.557 108.800 0.074 0.000 2.432 281 G HA2 -0.110 3.856 3.960 0.010 0.000 0.219 281 G HA3 -0.110 3.856 3.960 0.010 0.000 0.219 281 G C 1.775 176.588 174.900 -0.145 0.000 1.135 281 G CA 0.757 45.702 45.100 -0.258 0.000 0.767 281 G HN 0.463 nan 8.290 nan 0.000 0.550 282 I N 1.215 121.871 120.570 0.143 0.000 2.202 282 I HA -0.065 4.111 4.170 0.010 0.000 0.242 282 I C 3.098 179.071 176.117 -0.240 0.000 1.091 282 I CA 0.967 62.221 61.300 -0.075 0.000 1.368 282 I CB -0.489 37.246 38.000 -0.442 0.000 1.058 282 I HN 0.225 nan 8.210 nan 0.000 0.410 283 G N 1.622 110.313 108.800 -0.182 0.000 2.446 283 G HA2 -0.221 3.745 3.960 0.010 0.000 0.217 283 G HA3 -0.221 3.745 3.960 0.010 0.000 0.217 283 G C 1.557 176.492 174.900 0.059 0.000 1.168 283 G CA 0.694 45.779 45.100 -0.026 0.000 0.771 283 G HN 0.186 nan 8.290 nan 0.000 0.551 284 I N 0.439 121.022 120.570 0.022 0.000 2.202 284 I HA -0.032 4.144 4.170 0.010 0.000 0.242 284 I C 2.624 178.781 176.117 0.066 0.000 1.091 284 I CA 0.479 61.810 61.300 0.052 0.000 1.368 284 I CB -1.337 36.611 38.000 -0.086 0.000 1.058 284 I HN 0.121 nan 8.210 nan 0.000 0.410 285 L N 0.878 122.082 121.223 -0.031 0.000 2.079 285 L HA -0.162 4.185 4.340 0.010 0.000 0.210 285 L C 2.332 179.226 176.870 0.039 0.000 1.081 285 L CA 1.775 56.603 54.840 -0.020 0.000 0.752 285 L CB -0.685 41.354 42.059 -0.034 0.000 0.896 285 L HN 0.137 nan 8.230 nan 0.000 0.433 286 L N -1.212 120.052 121.223 0.068 0.000 2.291 286 L HA -0.049 4.298 4.340 0.010 0.000 0.214 286 L C 0.960 177.871 176.870 0.069 0.000 1.120 286 L CA 0.122 55.019 54.840 0.095 0.000 0.799 286 L CB -0.441 41.724 42.059 0.177 0.000 0.925 286 L HN 0.058 nan 8.230 nan 0.000 0.446 287 S N 0.319 116.089 115.700 0.116 0.000 2.443 287 S HA 0.367 4.843 4.470 0.010 0.000 0.284 287 S C 1.117 175.578 174.600 -0.232 0.000 1.206 287 S CA 0.410 58.565 58.200 -0.075 0.000 1.074 287 S CB 0.756 63.918 63.200 -0.063 0.000 0.963 287 S HN 0.559 nan 8.310 nan 0.000 0.501 288 G N 3.186 111.897 108.800 -0.148 0.000 2.268 288 G HA2 -0.368 3.599 3.960 0.010 0.000 0.240 288 G HA3 -0.368 3.599 3.960 0.010 0.000 0.240 288 G C 1.091 175.985 174.900 -0.010 0.000 1.010 288 G CA 0.819 45.936 45.100 0.027 0.000 0.618 288 G HN 0.811 nan 8.290 nan 0.000 0.516 289 T N -2.217 112.324 114.554 -0.021 0.000 2.852 289 T HA 0.350 4.706 4.350 0.010 0.000 0.256 289 T C 2.084 176.768 174.700 -0.027 0.000 1.038 289 T CA 2.235 64.325 62.100 -0.016 0.000 1.141 289 T CB 0.102 68.970 68.868 -0.000 0.000 0.869 289 T HN 0.669 nan 8.240 nan 0.000 0.439 290 V N -0.084 119.802 119.914 -0.047 0.000 3.137 290 V HA 0.380 4.506 4.120 0.010 0.000 0.236 290 V C 0.323 176.352 176.094 -0.109 0.000 1.260 290 V CA -0.117 62.156 62.300 -0.045 0.000 1.244 290 V CB 1.157 32.976 31.823 -0.006 0.000 1.016 290 V HN 0.312 nan 8.190 nan 0.000 0.477 291 V N 1.356 121.118 119.914 -0.252 0.000 2.409 291 V HA 0.410 4.536 4.120 0.010 0.000 0.291 291 V C 0.239 176.103 176.094 -0.383 0.000 1.020 291 V CA -0.353 61.672 62.300 -0.458 0.000 0.848 291 V CB 1.590 32.681 31.823 -1.220 0.000 0.990 291 V HN 0.302 nan 8.190 nan 0.000 0.430 292 D N 2.426 122.686 120.400 -0.233 0.000 2.289 292 D HA 0.043 4.689 4.640 0.010 0.000 0.207 292 D C 0.599 176.818 176.300 -0.135 0.000 0.966 292 D CA 0.958 54.882 54.000 -0.126 0.000 0.868 292 D CB 0.356 41.097 40.800 -0.098 0.000 0.943 292 D HN 0.506 nan 8.370 nan 0.000 0.514 293 N N -0.573 117.991 118.700 -0.228 0.000 2.542 293 N HA -0.003 4.743 4.740 0.010 0.000 0.288 293 N C -0.421 175.035 175.510 -0.089 0.000 1.115 293 N CA -0.419 52.571 53.050 -0.100 0.000 0.924 293 N CB 0.465 38.940 38.487 -0.020 0.000 1.526 293 N HN -0.140 nan 8.380 nan 0.000 0.515 294 W N 2.001 123.405 121.300 0.172 0.000 2.518 294 W HA 0.003 4.670 4.660 0.010 0.000 0.273 294 W C 1.713 178.365 176.519 0.221 0.000 1.247 294 W CA 0.154 57.639 57.345 0.234 0.000 1.288 294 W CB -0.182 29.420 29.460 0.237 0.000 1.107 294 W HN 0.670 nan 8.180 nan 0.000 0.586 295 Y N 0.951 121.304 120.300 0.088 0.000 2.097 295 Y HA -0.325 4.231 4.550 0.010 0.000 0.282 295 Y C 2.213 178.035 175.900 -0.131 0.000 1.152 295 Y CA 2.239 60.111 58.100 -0.380 0.000 1.136 295 Y CB -0.875 37.344 38.460 -0.402 0.000 0.975 295 Y HN -0.217 nan 8.280 nan 0.000 0.498 296 V N -0.806 119.077 119.914 -0.051 0.000 2.270 296 V HA -0.303 3.824 4.120 0.010 0.000 0.245 296 V C 2.115 178.158 176.094 -0.086 0.000 1.043 296 V CA 1.888 64.110 62.300 -0.131 0.000 1.014 296 V CB -1.290 30.520 31.823 -0.022 0.000 0.645 296 V HN 0.712 nan 8.190 nan 0.000 0.447 297 W N 1.572 122.784 121.300 -0.148 0.000 2.302 297 W HA -0.216 4.451 4.660 0.010 0.000 0.320 297 W C 2.343 178.839 176.519 -0.039 0.000 1.241 297 W CA 2.308 59.595 57.345 -0.096 0.000 1.264 297 W CB -0.760 28.616 29.460 -0.141 0.000 1.154 297 W HN 0.262 nan 8.180 nan 0.000 0.483 298 G N -0.369 108.637 108.800 0.343 0.000 2.462 298 G HA2 -0.292 3.674 3.960 0.010 0.000 0.220 298 G HA3 -0.292 3.674 3.960 0.010 0.000 0.220 298 G C 1.390 176.120 174.900 -0.283 0.000 1.121 298 G CA 0.959 46.144 45.100 0.142 0.000 0.758 298 G HN 0.306 nan 8.290 nan 0.000 0.559 299 Q N 0.238 119.807 119.800 -0.386 0.000 2.291 299 Q HA -0.040 4.307 4.340 0.010 0.000 0.205 299 Q C 1.487 177.206 176.000 -0.469 0.000 0.970 299 Q CA 1.118 56.659 55.803 -0.437 0.000 0.876 299 Q CB -0.124 28.349 28.738 -0.441 0.000 0.935 299 Q HN 0.630 nan 8.270 nan 0.000 0.455 300 N N -0.612 117.776 118.700 -0.520 0.000 2.184 300 N HA -0.003 4.743 4.740 0.010 0.000 0.206 300 N C -0.961 174.161 175.510 -0.647 0.000 1.151 300 N CA -0.137 52.609 53.050 -0.507 0.000 0.878 300 N CB 0.232 38.508 38.487 -0.351 0.000 1.014 300 N HN 0.266 nan 8.380 nan 0.000 0.512 301 H N 0.316 119.022 119.070 -0.606 0.000 1.768 301 H HA -0.120 4.443 4.556 0.010 0.000 0.305 301 H C 0.699 175.475 175.328 -0.919 0.000 0.768 301 H CA 0.627 56.037 56.048 -1.063 0.000 1.023 301 H CB -1.725 27.686 29.762 -0.585 0.000 1.484 301 H HN 0.411 nan 8.280 nan 0.000 0.250 302 G N 0.000 108.085 108.800 -1.192 0.000 5.446 302 G HA2 0.000 3.966 3.960 0.010 0.000 0.244 302 G HA3 0.000 3.966 3.960 0.010 0.000 0.244 302 G CA 0.000 44.829 45.100 -0.452 0.000 0.502 302 G HN 0.000 nan 8.290 nan 0.000 0.925