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 1nwh_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKNVGFIGWR GMVGSVLMDR MSQENDFENL NPVFFTTSQX XXXXXXXXXX DATA SEQUENCE XXXXLKSAFD IEELKKLDII VTCQGGDYTN EVYPKLKATG WDGYWVDAAS DATA SEQUENCE ALRMKDDAII VLDPVNQHVI SEGLKKGIKT FVGGNXTVSL MLMAIGGLFE DATA SEQUENCE KDLVEWISVA TYQAASGAGA KNMRELLSQM GLLEQAVSSE LKDPASSILD DATA SEQUENCE IERKVTAKMR ADNFPTDNFG AALGGSLIPW IDKLLPETGQ TKEEWKGYAE DATA SEQUENCE TNKILGLSDN PIPVDGLCVR IGALRCHSQA FTIKLKKDLP LEEIEQIIAS DATA SEQUENCE HNEWVKVIPN DKEITLRELT PAKVTGTLSV PVGRLRKLAM GPEYLAAFTV DATA SEQUENCE GDQLLWGAAE PVRRILKQLV A 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.307 176.300 0.012 0.000 1.140 1 M CA 0.000 55.305 55.300 0.009 0.000 0.988 1 M CB 0.000 nan 32.600 nan 0.000 1.302 2 K N 2.354 122.757 120.400 0.005 0.000 2.202 2 K HA 0.550 4.870 4.320 -0.000 0.000 0.264 2 K C -0.703 175.909 176.600 0.021 0.000 1.010 2 K CA -0.641 55.651 56.287 0.009 0.000 0.940 2 K CB 0.769 33.259 32.500 -0.016 0.000 0.983 2 K HN 0.835 nan 8.250 nan 0.000 0.475 3 N N 1.670 120.391 118.700 0.036 0.000 2.439 3 N HA 0.166 4.906 4.740 -0.000 0.000 0.249 3 N C -0.829 174.699 175.510 0.029 0.000 1.003 3 N CA -0.265 52.812 53.050 0.044 0.000 0.942 3 N CB 1.281 39.809 38.487 0.069 0.000 1.115 3 N HN 0.116 nan 8.380 nan 0.000 0.505 4 V N 0.792 120.694 119.914 -0.020 0.000 2.417 4 V HA 0.556 4.676 4.120 -0.000 0.000 0.291 4 V C 0.819 176.762 176.094 -0.253 0.000 1.024 4 V CA -1.007 61.190 62.300 -0.172 0.000 0.861 4 V CB 1.673 33.317 31.823 -0.298 0.000 0.985 4 V HN 0.617 nan 8.190 nan 0.000 0.436 5 G N 3.174 111.820 108.800 -0.257 0.000 2.348 5 G HA2 0.648 4.608 3.960 -0.000 0.000 0.312 5 G HA3 0.648 4.608 3.960 -0.000 0.000 0.312 5 G C -1.190 173.474 174.900 -0.393 0.000 1.126 5 G CA -0.241 44.819 45.100 -0.068 0.000 0.865 5 G HN 0.445 nan 8.290 nan 0.000 0.474 6 F N 1.596 121.583 119.950 0.062 0.000 2.427 6 F HA 0.508 5.035 4.527 -0.000 0.000 0.348 6 F C -0.134 175.835 175.800 0.281 0.000 1.125 6 F CA -0.668 57.371 58.000 0.065 0.000 0.989 6 F CB 2.090 41.057 39.000 -0.055 0.000 1.165 6 F HN 0.135 nan 8.300 nan 0.000 0.442 7 I N 1.850 122.595 120.570 0.291 0.000 2.474 7 I HA 0.620 4.790 4.170 -0.000 0.000 0.294 7 I C 0.618 176.815 176.117 0.133 0.000 1.005 7 I CA -0.703 60.696 61.300 0.166 0.000 1.113 7 I CB 1.791 39.644 38.000 -0.245 0.000 1.289 7 I HN 0.732 nan 8.210 nan 0.000 0.436 8 G N 4.589 113.425 108.800 0.061 0.000 2.176 8 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.252 8 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.252 8 G C 0.600 175.522 174.900 0.037 0.000 1.024 8 G CA 0.547 45.617 45.100 -0.050 0.000 0.755 8 G HN 0.906 nan 8.290 nan 0.000 0.507 9 W N -0.597 120.754 121.300 0.085 0.000 2.595 9 W HA 0.206 4.866 4.660 0.000 0.000 0.257 9 W C 1.309 177.843 176.519 0.025 0.000 1.267 9 W CA 0.737 58.146 57.345 0.107 0.000 1.300 9 W CB -0.607 28.989 29.460 0.225 0.000 1.120 9 W HN 0.234 nan 8.180 nan 0.000 0.618 10 R N 1.021 121.124 120.500 -0.662 0.000 2.210 10 R HA 0.115 4.455 4.340 -0.000 0.000 0.203 10 R C 1.599 177.725 176.300 -0.291 0.000 1.010 10 R CA 0.809 56.533 56.100 -0.627 0.000 1.008 10 R CB -0.745 29.052 30.300 -0.838 0.000 0.923 10 R HN 0.142 nan 8.270 nan 0.000 0.469 11 G N 0.296 108.977 108.800 -0.199 0.000 2.611 11 G HA2 0.006 3.966 3.960 -0.000 0.000 0.273 11 G HA3 0.006 3.966 3.960 -0.000 0.000 0.273 11 G C 0.892 175.753 174.900 -0.066 0.000 1.305 11 G CA -0.411 44.621 45.100 -0.114 0.000 1.010 11 G HN 0.091 nan 8.290 nan 0.000 0.509 12 M N -0.686 118.887 119.600 -0.044 0.000 2.067 12 M HA -0.111 4.369 4.480 -0.000 0.000 0.260 12 M C 2.450 178.743 176.300 -0.011 0.000 1.069 12 M CA 1.597 56.882 55.300 -0.026 0.000 1.117 12 M CB -0.277 32.312 32.600 -0.019 0.000 1.334 12 M HN 0.246 nan 8.290 nan 0.000 0.407 13 V N 0.287 120.199 119.914 -0.003 0.000 2.358 13 V HA -0.179 3.941 4.120 -0.000 0.000 0.246 13 V C 2.588 178.697 176.094 0.026 0.000 1.047 13 V CA 2.038 64.342 62.300 0.007 0.000 1.035 13 V CB -1.724 30.108 31.823 0.015 0.000 0.658 13 V HN 0.743 nan 8.190 nan 0.000 0.452 14 G N -0.582 108.242 108.800 0.040 0.000 2.418 14 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 14 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 14 G C 1.832 176.797 174.900 0.109 0.000 1.158 14 G CA 1.200 46.360 45.100 0.099 0.000 0.771 14 G HN 0.515 nan 8.290 nan 0.000 0.545 15 S N -0.168 115.562 115.700 0.050 0.000 2.402 15 S HA -0.070 4.400 4.470 -0.000 0.000 0.229 15 S C 2.451 177.074 174.600 0.039 0.000 1.021 15 S CA 0.979 59.205 58.200 0.044 0.000 0.974 15 S CB -0.090 63.108 63.200 -0.004 0.000 0.800 15 S HN 0.187 nan 8.310 nan 0.000 0.484 16 V N 1.638 121.563 119.914 0.018 0.000 2.453 16 V HA -0.079 4.041 4.120 -0.000 0.000 0.247 16 V C 2.162 178.254 176.094 -0.004 0.000 1.048 16 V CA 1.221 63.519 62.300 -0.004 0.000 1.049 16 V CB -0.532 31.275 31.823 -0.026 0.000 0.672 16 V HN 0.370 nan 8.190 nan 0.000 0.457 17 L N -0.598 120.638 121.223 0.022 0.000 2.056 17 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 17 L C 2.311 179.213 176.870 0.053 0.000 1.078 17 L CA 2.034 56.890 54.840 0.026 0.000 0.749 17 L CB -0.513 41.591 42.059 0.074 0.000 0.901 17 L HN 0.146 nan 8.230 nan 0.000 0.433 18 M N -0.691 118.981 119.600 0.120 0.000 2.117 18 M HA -0.178 4.302 4.480 -0.000 0.000 0.262 18 M C 1.949 178.341 176.300 0.152 0.000 1.065 18 M CA 1.444 56.859 55.300 0.191 0.000 1.114 18 M CB -1.389 31.332 32.600 0.201 0.000 1.361 18 M HN 0.261 nan 8.290 nan 0.000 0.408 19 D N -0.220 120.226 120.400 0.077 0.000 2.117 19 D HA -0.102 4.538 4.640 -0.000 0.000 0.198 19 D C 2.249 178.567 176.300 0.029 0.000 0.982 19 D CA 0.909 54.937 54.000 0.046 0.000 0.828 19 D CB -0.117 40.694 40.800 0.018 0.000 0.967 19 D HN 0.143 nan 8.370 nan 0.000 0.464 20 R N -0.053 120.444 120.500 -0.004 0.000 2.075 20 R HA 0.056 4.396 4.340 -0.000 0.000 0.232 20 R C 2.352 178.621 176.300 -0.050 0.000 1.126 20 R CA 0.563 56.636 56.100 -0.045 0.000 0.963 20 R CB -0.549 29.691 30.300 -0.099 0.000 0.858 20 R HN 0.335 nan 8.270 nan 0.000 0.435 21 M N 0.008 119.570 119.600 -0.063 0.000 2.175 21 M HA -0.102 4.378 4.480 -0.000 0.000 0.264 21 M C 2.125 178.407 176.300 -0.030 0.000 1.063 21 M CA 1.423 56.616 55.300 -0.177 0.000 1.119 21 M CB -0.098 32.216 32.600 -0.477 0.000 1.377 21 M HN -0.008 nan 8.290 nan 0.000 0.415 22 S N 0.059 115.858 115.700 0.165 0.000 2.406 22 S HA -0.129 4.341 4.470 -0.000 0.000 0.228 22 S C 1.789 176.445 174.600 0.093 0.000 1.020 22 S CA 0.999 59.326 58.200 0.212 0.000 0.965 22 S CB -0.181 63.118 63.200 0.165 0.000 0.798 22 S HN 0.498 nan 8.310 nan 0.000 0.488 23 Q N 0.411 120.240 119.800 0.047 0.000 2.119 23 Q HA -0.037 4.303 4.340 -0.000 0.000 0.201 23 Q C 1.353 177.363 176.000 0.017 0.000 0.972 23 Q CA 0.872 56.689 55.803 0.024 0.000 0.847 23 Q CB 0.044 28.788 28.738 0.009 0.000 0.903 23 Q HN 0.345 nan 8.270 nan 0.000 0.433 24 E N 0.082 120.283 120.200 0.001 0.000 2.474 24 E HA 0.039 4.389 4.350 -0.000 0.000 0.195 24 E C -0.484 176.113 176.600 -0.005 0.000 1.039 24 E CA -0.013 56.383 56.400 -0.007 0.000 0.881 24 E CB 0.070 29.752 29.700 -0.031 0.000 0.970 24 E HN 0.338 nan 8.360 nan 0.000 0.486 25 N N 1.843 120.554 118.700 0.019 0.000 2.738 25 N HA -0.160 4.580 4.740 -0.000 0.000 0.249 25 N C -0.137 175.376 175.510 0.006 0.000 1.047 25 N CA 0.606 53.684 53.050 0.047 0.000 0.707 25 N CB -0.538 37.975 38.487 0.043 0.000 0.937 25 N HN 0.084 nan 8.380 nan 0.000 0.545 26 D N -0.632 119.713 120.400 -0.091 0.000 2.317 26 D HA -0.027 4.613 4.640 -0.000 0.000 0.211 26 D C 1.289 177.468 176.300 -0.201 0.000 0.966 26 D CA 0.790 54.677 54.000 -0.189 0.000 0.876 26 D CB -0.069 40.544 40.800 -0.312 0.000 0.927 26 D HN 0.502 nan 8.370 nan 0.000 0.519 27 F N 1.434 121.382 119.950 -0.003 0.000 2.407 27 F HA -0.041 4.486 4.527 -0.000 0.000 0.299 27 F C 2.226 178.028 175.800 0.003 0.000 1.097 27 F CA 0.556 58.554 58.000 -0.002 0.000 1.422 27 F CB -0.082 38.906 39.000 -0.019 0.000 1.067 27 F HN 0.040 nan 8.300 nan 0.000 0.539 28 E N -0.169 120.122 120.200 0.152 0.000 2.481 28 E HA -0.094 4.256 4.350 -0.000 0.000 0.195 28 E C 0.847 177.479 176.600 0.053 0.000 1.047 28 E CA 0.850 57.304 56.400 0.090 0.000 0.867 28 E CB -0.572 29.167 29.700 0.064 0.000 0.858 28 E HN 0.511 nan 8.360 nan 0.000 0.513 29 N N 0.333 119.055 118.700 0.036 0.000 2.280 29 N HA 0.159 4.899 4.740 -0.000 0.000 0.192 29 N C -0.473 175.045 175.510 0.014 0.000 1.109 29 N CA -0.149 52.907 53.050 0.010 0.000 0.855 29 N CB 0.317 38.794 38.487 -0.018 0.000 0.974 29 N HN 0.120 nan 8.380 nan 0.000 0.482 30 L N -3.308 117.943 121.223 0.047 0.000 2.491 30 L HA 0.576 4.916 4.340 -0.000 0.000 0.254 30 L C -1.290 175.636 176.870 0.093 0.000 1.048 30 L CA -1.196 53.678 54.840 0.058 0.000 0.855 30 L CB 1.022 43.116 42.059 0.058 0.000 1.466 30 L HN -0.246 nan 8.230 nan 0.000 0.409 31 N N 1.800 120.545 118.700 0.074 0.000 2.527 31 N HA 0.420 5.160 4.740 -0.000 0.000 0.236 31 N C -2.628 172.927 175.510 0.074 0.000 0.999 31 N CA -1.151 51.939 53.050 0.066 0.000 0.935 31 N CB 1.286 39.796 38.487 0.039 0.000 1.132 31 N HN 0.556 nan 8.380 nan 0.000 0.511 32 P HA 0.183 nan 4.420 nan 0.000 0.287 32 P C -0.640 176.525 177.300 -0.224 0.000 1.281 32 P CA -0.357 62.740 63.100 -0.005 0.000 0.781 32 P CB 1.356 33.021 31.700 -0.058 0.000 0.903 33 V N 5.167 124.935 119.914 -0.243 0.000 2.376 33 V HA 0.323 4.443 4.120 -0.000 0.000 0.287 33 V C -0.046 175.818 176.094 -0.384 0.000 1.015 33 V CA -0.464 61.678 62.300 -0.264 0.000 0.834 33 V CB 0.475 32.227 31.823 -0.120 0.000 1.001 33 V HN 0.353 nan 8.190 nan 0.000 0.428 34 F N 4.593 124.397 119.950 -0.244 0.000 2.404 34 F HA 0.639 5.166 4.527 -0.000 0.000 0.345 34 F C 0.067 175.692 175.800 -0.291 0.000 1.110 34 F CA -0.163 57.651 58.000 -0.311 0.000 1.130 34 F CB 0.886 39.441 39.000 -0.742 0.000 1.129 34 F HN 0.294 nan 8.300 nan 0.000 0.500 35 F N 0.607 120.717 119.950 0.266 0.000 2.541 35 F HA 0.650 5.177 4.527 -0.000 0.000 0.331 35 F C 0.346 176.362 175.800 0.359 0.000 1.057 35 F CA -0.693 57.450 58.000 0.237 0.000 0.975 35 F CB 2.168 41.232 39.000 0.106 0.000 1.246 35 F HN 0.278 nan 8.300 nan 0.000 0.484 36 T N -1.179 113.595 114.554 0.367 0.000 2.900 36 T HA 0.329 4.679 4.350 -0.000 0.000 0.303 36 T C 0.377 175.121 174.700 0.075 0.000 1.142 36 T CA -0.170 62.052 62.100 0.203 0.000 1.007 36 T CB 1.321 70.300 68.868 0.186 0.000 1.156 36 T HN 0.761 nan 8.240 nan 0.000 0.490 37 T N 0.123 114.677 114.554 -0.001 0.000 3.081 37 T HA 0.256 4.606 4.350 -0.000 0.000 0.250 37 T C 1.124 175.941 174.700 0.194 0.000 1.100 37 T CA 0.121 62.240 62.100 0.031 0.000 1.038 37 T CB 0.050 68.935 68.868 0.028 0.000 0.962 37 T HN 0.458 nan 8.240 nan 0.000 0.516 38 S N 0.803 116.574 115.700 0.118 0.000 2.593 38 S HA 0.291 4.761 4.470 -0.000 0.000 0.269 38 S C -0.003 174.672 174.600 0.125 0.000 1.334 38 S CA -0.571 57.694 58.200 0.107 0.000 1.015 38 S CB 0.631 63.867 63.200 0.060 0.000 0.912 38 S HN 0.571 nan 8.310 nan 0.000 0.541 56 K N 0.762 121.055 120.400 -0.177 0.000 2.211 56 K HA 0.589 4.909 4.320 -0.000 0.000 0.237 56 K C -0.223 176.442 176.600 0.108 0.000 1.002 56 K CA -0.686 55.530 56.287 -0.119 0.000 0.885 56 K CB 2.013 34.318 32.500 -0.326 0.000 1.136 56 K HN 0.378 nan 8.250 nan 0.000 0.448 57 S N 0.503 116.339 115.700 0.225 0.000 2.505 57 S HA 0.194 4.664 4.470 -0.000 0.000 0.276 57 S C 0.849 175.680 174.600 0.385 0.000 1.274 57 S CA -0.422 57.948 58.200 0.283 0.000 1.053 57 S CB 0.795 64.148 63.200 0.255 0.000 0.919 57 S HN 0.657 nan 8.310 nan 0.000 0.490 58 A N 4.616 127.533 122.820 0.161 0.000 2.168 58 A HA 0.145 4.465 4.320 -0.000 0.000 0.215 58 A C 0.918 178.416 177.584 -0.143 0.000 1.152 58 A CA 0.863 52.854 52.037 -0.076 0.000 0.716 58 A CB -0.458 18.338 19.000 -0.339 0.000 0.794 58 A HN 0.826 nan 8.150 nan 0.000 0.465 59 F N -0.441 119.652 119.950 0.237 0.000 2.695 59 F HA 0.197 4.724 4.527 -0.000 0.000 0.303 59 F C 0.477 176.326 175.800 0.083 0.000 1.091 59 F CA -0.963 57.125 58.000 0.147 0.000 1.300 59 F CB 0.235 39.315 39.000 0.132 0.000 1.071 59 F HN 0.045 nan 8.300 nan 0.000 0.578 60 D N 1.017 121.556 120.400 0.232 0.000 2.422 60 D HA 0.137 4.777 4.640 -0.000 0.000 0.227 60 D C 1.212 177.561 176.300 0.082 0.000 1.190 60 D CA 0.190 54.289 54.000 0.165 0.000 0.905 60 D CB 0.439 41.356 40.800 0.195 0.000 1.034 60 D HN 0.101 nan 8.370 nan 0.000 0.507 61 I N 2.916 123.505 120.570 0.033 0.000 2.361 61 I HA -0.191 3.979 4.170 -0.000 0.000 0.251 61 I C 2.180 178.270 176.117 -0.046 0.000 1.133 61 I CA 0.863 62.134 61.300 -0.049 0.000 1.413 61 I CB 0.058 38.018 38.000 -0.066 0.000 1.073 61 I HN 0.336 nan 8.210 nan 0.000 0.424 62 E N 0.399 120.605 120.200 0.011 0.000 2.268 62 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 62 E C 1.929 178.562 176.600 0.055 0.000 0.995 62 E CA 0.759 57.175 56.400 0.027 0.000 0.836 62 E CB -0.116 29.608 29.700 0.039 0.000 0.763 62 E HN 0.522 nan 8.360 nan 0.000 0.491 63 E N 0.302 120.559 120.200 0.095 0.000 2.140 63 E HA 0.049 4.399 4.350 -0.000 0.000 0.191 63 E C 2.348 179.051 176.600 0.173 0.000 0.973 63 E CA 0.124 56.628 56.400 0.173 0.000 0.829 63 E CB -0.021 29.854 29.700 0.291 0.000 0.781 63 E HN 0.255 nan 8.360 nan 0.000 0.466 64 L N 0.937 122.176 121.223 0.027 0.000 2.141 64 L HA -0.106 4.234 4.340 -0.000 0.000 0.209 64 L C 2.569 179.299 176.870 -0.233 0.000 1.094 64 L CA 0.984 55.717 54.840 -0.177 0.000 0.763 64 L CB -0.279 41.566 42.059 -0.357 0.000 0.908 64 L HN 0.022 nan 8.230 nan 0.000 0.437 65 K N 0.714 121.001 120.400 -0.188 0.000 2.283 65 K HA -0.151 4.169 4.320 -0.000 0.000 0.202 65 K C 1.891 178.593 176.600 0.171 0.000 1.048 65 K CA 1.009 57.221 56.287 -0.125 0.000 0.948 65 K CB 0.172 32.646 32.500 -0.043 0.000 0.742 65 K HN 0.262 nan 8.250 nan 0.000 0.458 66 K N 0.229 120.716 120.400 0.145 0.000 2.288 66 K HA 0.013 4.333 4.320 -0.000 0.000 0.201 66 K C 0.420 177.152 176.600 0.220 0.000 1.048 66 K CA 0.338 56.728 56.287 0.172 0.000 0.956 66 K CB 0.017 32.595 32.500 0.130 0.000 0.746 66 K HN 0.098 nan 8.250 nan 0.000 0.461 67 L N 1.315 122.705 121.223 0.278 0.000 2.418 67 L HA 0.040 4.380 4.340 -0.000 0.000 0.265 67 L C 0.950 178.062 176.870 0.405 0.000 1.143 67 L CA -0.386 54.631 54.840 0.295 0.000 0.809 67 L CB 0.605 42.814 42.059 0.251 0.000 1.124 67 L HN 0.004 nan 8.230 nan 0.000 0.456 68 D N 1.189 121.733 120.400 0.241 0.000 2.216 68 D HA 0.213 4.853 4.640 -0.000 0.000 0.208 68 D C 0.329 176.754 176.300 0.208 0.000 0.960 68 D CA 1.270 55.370 54.000 0.166 0.000 0.861 68 D CB 0.671 41.531 40.800 0.100 0.000 0.985 68 D HN 0.263 nan 8.370 nan 0.000 0.493 69 I N 0.545 121.237 120.570 0.204 0.000 2.647 69 I HA 0.329 4.499 4.170 -0.000 0.000 0.295 69 I C -0.791 175.384 176.117 0.098 0.000 1.078 69 I CA -0.641 60.766 61.300 0.178 0.000 1.048 69 I CB 3.198 41.198 38.000 0.001 0.000 1.239 69 I HN -0.310 nan 8.210 nan 0.000 0.421 70 I N 5.534 126.157 120.570 0.089 0.000 2.447 70 I HA 0.385 4.555 4.170 -0.000 0.000 0.287 70 I C -1.021 174.860 176.117 -0.394 0.000 1.023 70 I CA -0.801 60.383 61.300 -0.193 0.000 1.083 70 I CB 2.002 39.878 38.000 -0.207 0.000 1.245 70 I HN 0.132 nan 8.210 nan 0.000 0.434 71 V N 4.837 124.462 119.914 -0.482 0.000 2.347 71 V HA 0.422 4.542 4.120 -0.000 0.000 0.280 71 V C 0.058 175.992 176.094 -0.268 0.000 1.021 71 V CA -0.380 61.693 62.300 -0.378 0.000 0.847 71 V CB 1.506 33.099 31.823 -0.383 0.000 0.990 71 V HN 0.754 nan 8.190 nan 0.000 0.444 72 T N 3.865 118.253 114.554 -0.276 0.000 2.848 72 T HA 0.346 4.696 4.350 -0.000 0.000 0.285 72 T C 0.026 174.708 174.700 -0.031 0.000 0.995 72 T CA -0.254 61.753 62.100 -0.156 0.000 0.970 72 T CB 1.021 69.759 68.868 -0.217 0.000 0.976 72 T HN 0.697 nan 8.240 nan 0.000 0.441 73 C N 4.088 123.399 119.300 0.018 0.000 3.115 73 C HA 0.284 4.744 4.460 -0.000 0.000 0.277 73 C C 1.929 176.927 174.990 0.014 0.000 1.460 73 C CA -0.471 58.570 59.018 0.038 0.000 1.789 73 C CB -0.750 27.029 27.740 0.065 0.000 2.674 73 C HN 0.978 nan 8.230 nan 0.000 0.582 74 Q N 1.850 121.637 119.800 -0.023 0.000 2.123 74 Q HA 0.320 4.660 4.340 -0.000 0.000 0.199 74 Q C 1.031 177.055 176.000 0.041 0.000 0.966 74 Q CA 1.834 57.594 55.803 -0.071 0.000 0.845 74 Q CB 0.070 28.608 28.738 -0.333 0.000 0.907 74 Q HN 0.674 nan 8.270 nan 0.000 0.439 75 G N -3.250 105.624 108.800 0.123 0.000 2.357 75 G HA2 0.127 4.087 3.960 -0.000 0.000 0.643 75 G HA3 0.127 4.087 3.960 -0.000 0.000 0.643 75 G C 0.379 175.401 174.900 0.203 0.000 1.358 75 G CA -0.334 44.851 45.100 0.142 0.000 0.986 75 G HN 0.271 nan 8.290 nan 0.000 0.620 76 G N -0.627 108.265 108.800 0.154 0.000 2.422 76 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.218 76 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.218 76 G C 1.183 176.169 174.900 0.144 0.000 1.146 76 G CA 2.039 47.222 45.100 0.139 0.000 0.769 76 G HN 0.680 nan 8.290 nan 0.000 0.547 77 D N -0.788 119.704 120.400 0.154 0.000 2.144 77 D HA -0.119 4.521 4.640 -0.000 0.000 0.199 77 D C 1.882 178.306 176.300 0.207 0.000 0.984 77 D CA 0.754 54.844 54.000 0.151 0.000 0.834 77 D CB -0.301 40.586 40.800 0.145 0.000 0.955 77 D HN 0.419 nan 8.370 nan 0.000 0.465 78 Y N 1.331 121.723 120.300 0.153 0.000 2.184 78 Y HA -0.174 4.376 4.550 -0.000 0.000 0.290 78 Y C 2.275 178.307 175.900 0.220 0.000 1.129 78 Y CA 1.656 59.878 58.100 0.204 0.000 1.144 78 Y CB -0.512 38.047 38.460 0.165 0.000 0.995 78 Y HN -0.129 nan 8.280 nan 0.000 0.513 79 T N 1.090 115.778 114.554 0.223 0.000 2.720 79 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 79 T C 1.536 176.225 174.700 -0.018 0.000 1.037 79 T CA 1.650 63.853 62.100 0.171 0.000 1.144 79 T CB -0.339 68.689 68.868 0.267 0.000 0.864 79 T HN 0.388 nan 8.240 nan 0.000 0.444 80 N N 0.757 119.467 118.700 0.016 0.000 2.453 80 N HA -0.044 4.696 4.740 -0.000 0.000 0.183 80 N C 1.776 177.273 175.510 -0.022 0.000 1.041 80 N CA 0.636 53.684 53.050 -0.004 0.000 0.900 80 N CB -0.082 38.415 38.487 0.017 0.000 0.961 80 N HN 0.591 nan 8.380 nan 0.000 0.443 81 E N 0.365 120.544 120.200 -0.035 0.000 2.079 81 E HA -0.057 4.293 4.350 -0.000 0.000 0.191 81 E C 1.804 178.346 176.600 -0.096 0.000 0.961 81 E CA 0.595 56.971 56.400 -0.041 0.000 0.823 81 E CB 0.344 30.057 29.700 0.021 0.000 0.789 81 E HN 0.152 nan 8.360 nan 0.000 0.459 82 V N -0.772 119.021 119.914 -0.201 0.000 2.725 82 V HA -0.077 4.043 4.120 -0.000 0.000 0.247 82 V C 2.199 178.134 176.094 -0.265 0.000 1.058 82 V CA 1.101 63.264 62.300 -0.229 0.000 1.080 82 V CB -0.876 30.738 31.823 -0.348 0.000 0.713 82 V HN 0.315 nan 8.190 nan 0.000 0.465 83 Y N 2.932 122.923 120.300 -0.516 0.000 2.165 83 Y HA -0.016 4.534 4.550 0.000 0.000 0.286 83 Y C -0.031 175.607 175.900 -0.436 0.000 1.155 83 Y CA 2.480 60.124 58.100 -0.761 0.000 1.164 83 Y CB -1.472 36.353 38.460 -1.059 0.000 0.978 83 Y HN 0.340 nan 8.280 nan 0.000 0.513 84 P HA -0.117 nan 4.420 nan 0.000 0.217 84 P C 1.066 178.217 177.300 -0.249 0.000 1.151 84 P CA 2.106 65.048 63.100 -0.263 0.000 0.828 84 P CB 0.001 31.630 31.700 -0.119 0.000 0.788 85 K N -0.913 119.365 120.400 -0.203 0.000 2.097 85 K HA -0.111 4.209 4.320 -0.000 0.000 0.206 85 K C 1.905 178.392 176.600 -0.190 0.000 1.049 85 K CA 0.989 57.180 56.287 -0.159 0.000 0.933 85 K CB -0.708 31.721 32.500 -0.118 0.000 0.717 85 K HN 0.078 nan 8.250 nan 0.000 0.442 86 L N 1.442 122.500 121.223 -0.275 0.000 2.095 86 L HA -0.067 4.273 4.340 -0.000 0.000 0.204 86 L C 1.639 178.370 176.870 -0.231 0.000 1.080 86 L CA 1.725 56.375 54.840 -0.318 0.000 0.759 86 L CB -0.060 41.717 42.059 -0.470 0.000 0.914 86 L HN -0.089 nan 8.230 nan 0.000 0.439 87 K N -0.146 120.069 120.400 -0.308 0.000 2.439 87 K HA 0.127 4.447 4.320 -0.000 0.000 0.197 87 K C 1.805 178.321 176.600 -0.141 0.000 1.041 87 K CA 0.898 57.054 56.287 -0.218 0.000 0.970 87 K CB -0.210 31.994 32.500 -0.493 0.000 0.773 87 K HN 0.416 nan 8.250 nan 0.000 0.479 88 A N 1.232 123.964 122.820 -0.147 0.000 2.123 88 A HA -0.060 4.260 4.320 -0.000 0.000 0.214 88 A C 2.025 179.576 177.584 -0.056 0.000 1.152 88 A CA 1.365 53.343 52.037 -0.098 0.000 0.728 88 A CB -0.443 18.496 19.000 -0.101 0.000 0.814 88 A HN 0.376 nan 8.150 nan 0.000 0.464 89 T N -4.797 109.733 114.554 -0.041 0.000 3.081 89 T HA 0.385 4.735 4.350 -0.000 0.000 0.255 89 T C 1.368 176.085 174.700 0.029 0.000 1.113 89 T CA 1.152 63.247 62.100 -0.008 0.000 1.082 89 T CB 0.148 69.009 68.868 -0.011 0.000 0.939 89 T HN 1.530 nan 8.240 nan 0.000 0.506 90 G N 0.477 109.300 108.800 0.040 0.000 2.163 90 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.213 90 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.213 90 G C -0.183 174.778 174.900 0.102 0.000 0.991 90 G CA -0.332 44.794 45.100 0.044 0.000 0.653 90 G HN 0.657 nan 8.290 nan 0.000 0.518 91 W N 2.966 124.222 121.300 -0.073 0.000 2.347 91 W HA 0.435 5.095 4.660 -0.000 0.000 0.333 91 W C 0.721 177.195 176.519 -0.075 0.000 1.383 91 W CA 0.631 57.941 57.345 -0.058 0.000 1.283 91 W CB 0.672 30.103 29.460 -0.049 0.000 1.253 91 W HN 0.290 nan 8.180 nan 0.000 0.563 92 D N 3.595 123.755 120.400 -0.399 0.000 2.463 92 D HA 0.233 4.873 4.640 -0.000 0.000 0.224 92 D C 0.789 176.556 176.300 -0.887 0.000 1.174 92 D CA -0.315 53.374 54.000 -0.518 0.000 0.829 92 D CB -0.257 40.368 40.800 -0.291 0.000 0.993 92 D HN 0.313 nan 8.370 nan 0.000 0.497 93 G N -0.562 107.194 108.800 -1.741 0.000 2.543 93 G HA2 0.415 4.375 3.960 -0.000 0.000 0.290 93 G HA3 0.415 4.375 3.960 -0.000 0.000 0.290 93 G C -0.988 173.197 174.900 -1.191 0.000 1.310 93 G CA -0.724 43.461 45.100 -1.524 0.000 1.025 93 G HN 0.100 nan 8.290 nan 0.000 0.502 94 Y N -0.952 119.115 120.300 -0.389 0.000 2.323 94 Y HA 0.372 4.922 4.550 -0.000 0.000 0.331 94 Y C -0.113 176.009 175.900 0.370 0.000 1.092 94 Y CA -0.686 57.440 58.100 0.043 0.000 1.150 94 Y CB 1.565 40.088 38.460 0.106 0.000 1.200 94 Y HN 0.472 nan 8.280 nan 0.000 0.472 95 W N 5.357 126.914 121.300 0.428 0.000 2.361 95 W HA 0.630 5.290 4.660 -0.000 0.000 0.314 95 W C -1.948 174.754 176.519 0.304 0.000 1.041 95 W CA -0.930 56.665 57.345 0.416 0.000 1.241 95 W CB 1.443 31.194 29.460 0.486 0.000 1.279 95 W HN 0.231 nan 8.180 nan 0.000 0.436 96 V N 6.559 126.478 119.914 0.008 0.000 2.384 96 V HA 0.247 4.367 4.120 -0.000 0.000 0.287 96 V C -0.345 175.656 176.094 -0.155 0.000 1.020 96 V CA -0.333 61.985 62.300 0.029 0.000 0.850 96 V CB 1.461 33.280 31.823 -0.006 0.000 0.987 96 V HN 0.416 nan 8.190 nan 0.000 0.436 97 D N 2.843 123.259 120.400 0.026 0.000 2.575 97 D HA 0.699 5.339 4.640 -0.000 0.000 0.236 97 D C 0.396 176.743 176.300 0.079 0.000 1.075 97 D CA -0.226 53.801 54.000 0.045 0.000 0.860 97 D CB 2.784 43.727 40.800 0.238 0.000 1.475 97 D HN 0.474 nan 8.370 nan 0.000 0.474 98 A N 1.836 124.696 122.820 0.068 0.000 2.115 98 A HA 0.513 4.833 4.320 -0.000 0.000 0.211 98 A C 0.981 178.615 177.584 0.084 0.000 1.169 98 A CA 0.659 52.737 52.037 0.068 0.000 0.787 98 A CB -0.001 19.030 19.000 0.051 0.000 0.858 98 A HN 0.544 nan 8.150 nan 0.000 0.474 99 A N 0.195 123.077 122.820 0.103 0.000 2.332 99 A HA 0.461 4.781 4.320 -0.000 0.000 0.258 99 A C 1.543 179.190 177.584 0.105 0.000 1.087 99 A CA 0.384 52.486 52.037 0.108 0.000 0.802 99 A CB 0.193 19.271 19.000 0.130 0.000 1.042 99 A HN 0.910 nan 8.150 nan 0.000 0.489 100 S N 0.786 116.544 115.700 0.098 0.000 2.481 100 S HA 0.042 4.512 4.470 -0.000 0.000 0.231 100 S C 1.861 176.508 174.600 0.079 0.000 0.996 100 S CA 1.059 59.316 58.200 0.095 0.000 0.942 100 S CB -0.703 62.560 63.200 0.105 0.000 0.768 100 S HN 1.431 nan 8.310 nan 0.000 0.520 101 A N 2.521 125.381 122.820 0.066 0.000 1.909 101 A HA -0.109 4.211 4.320 -0.000 0.000 0.221 101 A C 2.096 179.673 177.584 -0.013 0.000 1.223 101 A CA 2.048 54.103 52.037 0.030 0.000 0.658 101 A CB -0.937 18.080 19.000 0.028 0.000 0.831 101 A HN 0.633 nan 8.150 nan 0.000 0.462 102 L N -1.938 119.260 121.223 -0.041 0.000 2.667 102 L HA 0.157 4.497 4.340 -0.000 0.000 0.232 102 L C 2.238 179.089 176.870 -0.033 0.000 1.138 102 L CA -0.153 54.627 54.840 -0.099 0.000 0.921 102 L CB -0.143 41.753 42.059 -0.272 0.000 1.180 102 L HN 0.297 nan 8.230 nan 0.000 0.487 103 R N 0.367 120.881 120.500 0.022 0.000 2.103 103 R HA -0.137 4.203 4.340 -0.000 0.000 0.242 103 R C 1.650 177.972 176.300 0.036 0.000 1.142 103 R CA 1.361 57.485 56.100 0.041 0.000 0.960 103 R CB -0.152 30.192 30.300 0.073 0.000 0.858 103 R HN 0.269 nan 8.270 nan 0.000 0.439 104 M N 0.857 120.494 119.600 0.061 0.000 2.561 104 M HA 0.073 4.553 4.480 -0.000 0.000 0.238 104 M C -0.040 176.283 176.300 0.039 0.000 1.131 104 M CA 0.414 55.757 55.300 0.071 0.000 1.046 104 M CB -0.141 32.553 32.600 0.157 0.000 1.532 104 M HN -0.176 nan 8.290 nan 0.000 0.497 105 K N 1.513 121.919 120.400 0.011 0.000 2.355 105 K HA 0.025 4.345 4.320 -0.000 0.000 0.270 105 K C 0.519 177.113 176.600 -0.011 0.000 1.003 105 K CA -0.017 56.269 56.287 -0.001 0.000 0.957 105 K CB 0.699 33.188 32.500 -0.018 0.000 0.939 105 K HN 0.054 nan 8.250 nan 0.000 0.482 106 D N 1.192 121.588 120.400 -0.007 0.000 2.348 106 D HA -0.121 4.519 4.640 -0.000 0.000 0.216 106 D C 0.695 176.976 176.300 -0.033 0.000 0.970 106 D CA 1.026 55.017 54.000 -0.016 0.000 0.889 106 D CB 0.191 40.986 40.800 -0.008 0.000 0.912 106 D HN 0.546 nan 8.370 nan 0.000 0.524 107 D N -0.351 120.027 120.400 -0.036 0.000 2.368 107 D HA 0.214 4.854 4.640 -0.000 0.000 0.218 107 D C 0.100 176.338 176.300 -0.103 0.000 1.112 107 D CA -0.313 53.653 54.000 -0.057 0.000 0.834 107 D CB 0.089 40.870 40.800 -0.031 0.000 0.953 107 D HN -0.042 nan 8.370 nan 0.000 0.505 108 A N 0.340 123.097 122.820 -0.105 0.000 2.365 108 A HA 0.692 5.012 4.320 -0.000 0.000 0.318 108 A C -0.734 176.763 177.584 -0.145 0.000 1.091 108 A CA -0.762 51.185 52.037 -0.151 0.000 0.763 108 A CB 1.289 20.233 19.000 -0.093 0.000 1.248 108 A HN 0.193 nan 8.150 nan 0.000 0.442 109 I N 2.210 122.655 120.570 -0.209 0.000 2.441 109 I HA 0.339 4.509 4.170 -0.000 0.000 0.295 109 I C -0.581 175.555 176.117 0.032 0.000 0.994 109 I CA -0.518 60.734 61.300 -0.080 0.000 1.144 109 I CB 1.826 39.795 38.000 -0.052 0.000 1.314 109 I HN 0.519 nan 8.210 nan 0.000 0.445 110 I N 6.413 127.011 120.570 0.046 0.000 2.352 110 I HA 0.196 4.366 4.170 -0.000 0.000 0.290 110 I C -0.249 175.928 176.117 0.100 0.000 1.036 110 I CA -0.524 60.816 61.300 0.066 0.000 1.336 110 I CB 1.086 39.102 38.000 0.027 0.000 1.407 110 I HN 0.173 nan 8.210 nan 0.000 0.497 111 V N 8.039 128.035 119.914 0.136 0.000 2.439 111 V HA 0.336 4.456 4.120 -0.000 0.000 0.282 111 V C -0.089 176.064 176.094 0.098 0.000 1.039 111 V CA -0.413 61.970 62.300 0.138 0.000 0.913 111 V CB 1.601 33.530 31.823 0.176 0.000 0.983 111 V HN 0.493 nan 8.190 nan 0.000 0.460 112 L N 5.315 126.588 121.223 0.084 0.000 2.348 112 L HA 0.276 4.616 4.340 -0.000 0.000 0.263 112 L C 1.110 178.017 176.870 0.062 0.000 1.434 112 L CA 0.021 54.907 54.840 0.076 0.000 0.801 112 L CB 0.829 42.908 42.059 0.033 0.000 0.954 112 L HN 0.772 nan 8.230 nan 0.000 0.521 113 D N 0.834 121.281 120.400 0.078 0.000 2.203 113 D HA -0.191 4.449 4.640 -0.000 0.000 0.199 113 D C -1.210 175.130 176.300 0.067 0.000 0.997 113 D CA 1.482 55.523 54.000 0.068 0.000 0.863 113 D CB -0.563 40.272 40.800 0.058 0.000 0.928 113 D HN 0.409 nan 8.370 nan 0.000 0.458 114 P HA -0.017 nan 4.420 nan 0.000 0.223 114 P C 1.709 179.047 177.300 0.063 0.000 1.151 114 P CA 0.535 63.671 63.100 0.060 0.000 0.787 114 P CB 0.234 31.954 31.700 0.034 0.000 0.788 115 V N -0.174 119.801 119.914 0.101 0.000 2.672 115 V HA 0.047 4.167 4.120 -0.000 0.000 0.242 115 V C 1.174 177.326 176.094 0.097 0.000 1.059 115 V CA 1.405 63.802 62.300 0.162 0.000 1.081 115 V CB -0.676 31.181 31.823 0.057 0.000 0.752 115 V HN 0.245 nan 8.190 nan 0.000 0.472 116 N N 0.020 118.760 118.700 0.066 0.000 2.541 116 N HA 0.087 4.827 4.740 -0.000 0.000 0.297 116 N C 0.940 176.502 175.510 0.087 0.000 1.503 116 N CA -0.224 52.870 53.050 0.073 0.000 0.919 116 N CB 0.704 39.219 38.487 0.048 0.000 1.305 116 N HN 0.206 nan 8.380 nan 0.000 0.501 117 Q N 0.252 120.103 119.800 0.085 0.000 2.170 117 Q HA -0.159 4.181 4.340 -0.000 0.000 0.203 117 Q C 1.590 177.643 176.000 0.089 0.000 0.976 117 Q CA 1.600 57.446 55.803 0.072 0.000 0.858 117 Q CB -0.534 28.240 28.738 0.060 0.000 0.907 117 Q HN 0.661 nan 8.270 nan 0.000 0.433 118 H N -1.039 118.048 119.070 0.028 0.000 2.326 118 H HA -0.067 4.489 4.556 -0.000 0.000 0.301 118 H C 1.714 177.066 175.328 0.040 0.000 1.081 118 H CA 1.810 57.875 56.048 0.028 0.000 1.334 118 H CB 0.273 30.049 29.762 0.023 0.000 1.385 118 H HN 0.201 nan 8.280 nan 0.000 0.504 119 V N 1.396 121.355 119.914 0.076 0.000 2.392 119 V HA -0.259 3.861 4.120 -0.000 0.000 0.249 119 V C 2.800 178.921 176.094 0.045 0.000 1.059 119 V CA 1.726 64.051 62.300 0.040 0.000 1.051 119 V CB -0.506 31.361 31.823 0.073 0.000 0.658 119 V HN 0.357 nan 8.190 nan 0.000 0.455 120 I N -0.164 120.453 120.570 0.079 0.000 2.202 120 I HA -0.182 3.988 4.170 -0.000 0.000 0.242 120 I C 2.572 178.734 176.117 0.076 0.000 1.091 120 I CA 1.524 62.907 61.300 0.138 0.000 1.368 120 I CB -0.390 37.657 38.000 0.078 0.000 1.058 120 I HN 0.231 nan 8.210 nan 0.000 0.410 121 S N 0.217 115.911 115.700 -0.011 0.000 2.382 121 S HA -0.139 4.331 4.470 -0.000 0.000 0.228 121 S C 1.869 176.435 174.600 -0.056 0.000 1.027 121 S CA 1.099 59.273 58.200 -0.042 0.000 0.991 121 S CB -0.177 62.985 63.200 -0.063 0.000 0.823 121 S HN 0.390 nan 8.310 nan 0.000 0.469 122 E N 0.725 120.847 120.200 -0.129 0.000 2.208 122 E HA 0.016 4.366 4.350 -0.000 0.000 0.193 122 E C 2.173 178.761 176.600 -0.019 0.000 0.988 122 E CA 0.713 57.040 56.400 -0.122 0.000 0.828 122 E CB -0.503 29.057 29.700 -0.233 0.000 0.763 122 E HN 0.552 nan 8.360 nan 0.000 0.478 123 G N 0.708 109.534 108.800 0.043 0.000 2.430 123 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.216 123 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.216 123 G C 1.687 176.692 174.900 0.176 0.000 1.146 123 G CA -0.039 45.122 45.100 0.101 0.000 0.793 123 G HN 0.146 nan 8.290 nan 0.000 0.537 124 L N -0.023 121.333 121.223 0.222 0.000 2.201 124 L HA 0.066 4.406 4.340 -0.000 0.000 0.212 124 L C 2.728 179.678 176.870 0.134 0.000 1.105 124 L CA 1.001 55.986 54.840 0.242 0.000 0.775 124 L CB -0.088 42.051 42.059 0.133 0.000 0.913 124 L HN 0.177 nan 8.230 nan 0.000 0.440 125 K N 0.109 120.552 120.400 0.071 0.000 2.228 125 K HA -0.155 4.165 4.320 -0.000 0.000 0.202 125 K C 1.908 178.526 176.600 0.030 0.000 1.051 125 K CA 0.826 57.134 56.287 0.036 0.000 0.960 125 K CB 0.293 32.797 32.500 0.007 0.000 0.743 125 K HN -0.054 nan 8.250 nan 0.000 0.458 126 K N -0.611 119.809 120.400 0.033 0.000 2.418 126 K HA 0.052 4.372 4.320 -0.000 0.000 0.195 126 K C 0.570 177.175 176.600 0.009 0.000 1.035 126 K CA 0.824 57.120 56.287 0.015 0.000 1.003 126 K CB 0.531 33.035 32.500 0.007 0.000 0.793 126 K HN 0.371 nan 8.250 nan 0.000 0.494 127 G N 0.369 109.188 108.800 0.031 0.000 2.141 127 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.231 127 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.231 127 G C -0.171 174.711 174.900 -0.031 0.000 0.984 127 G CA -0.151 44.949 45.100 0.000 0.000 0.660 127 G HN 0.096 nan 8.290 nan 0.000 0.525 128 I N 0.691 121.262 120.570 0.002 0.000 2.598 128 I HA 0.155 4.325 4.170 -0.000 0.000 0.284 128 I C 1.228 177.292 176.117 -0.088 0.000 1.140 128 I CA 0.418 61.656 61.300 -0.103 0.000 1.420 128 I CB 1.105 38.983 38.000 -0.204 0.000 1.387 128 I HN -0.006 nan 8.210 nan 0.000 0.553 129 K N 3.592 123.884 120.400 -0.179 0.000 2.360 129 K HA 0.145 4.465 4.320 -0.000 0.000 0.196 129 K C 0.193 176.824 176.600 0.051 0.000 1.049 129 K CA 0.350 56.529 56.287 -0.179 0.000 1.049 129 K CB 0.424 32.725 32.500 -0.332 0.000 0.881 129 K HN 0.512 nan 8.250 nan 0.000 0.542 130 T N 1.574 116.055 114.554 -0.121 0.000 2.770 130 T HA 0.507 4.857 4.350 -0.000 0.000 0.283 130 T C -0.672 173.830 174.700 -0.330 0.000 0.988 130 T CA -0.373 61.736 62.100 0.015 0.000 0.957 130 T CB 0.449 69.360 68.868 0.071 0.000 0.930 130 T HN -0.165 nan 8.240 nan 0.000 0.443 131 F N 2.209 122.293 119.950 0.224 0.000 2.477 131 F HA 0.612 5.139 4.527 -0.000 0.000 0.335 131 F C -0.205 175.672 175.800 0.129 0.000 1.130 131 F CA -0.975 57.112 58.000 0.145 0.000 0.948 131 F CB 1.710 40.782 39.000 0.120 0.000 1.154 131 F HN 0.213 nan 8.300 nan 0.000 0.439 132 V N 2.105 122.150 119.914 0.219 0.000 2.656 132 V HA 0.706 4.826 4.120 -0.000 0.000 0.307 132 V C 0.345 176.520 176.094 0.134 0.000 1.051 132 V CA -1.112 61.284 62.300 0.161 0.000 0.893 132 V CB 1.677 33.568 31.823 0.112 0.000 0.999 132 V HN 0.883 nan 8.190 nan 0.000 0.426 133 G N 2.008 110.875 108.800 0.111 0.000 2.527 133 G HA2 0.505 4.465 3.960 -0.000 0.000 0.248 133 G HA3 0.505 4.465 3.960 -0.000 0.000 0.248 133 G C 0.387 175.337 174.900 0.083 0.000 1.231 133 G CA 0.308 45.463 45.100 0.092 0.000 0.838 133 G HN 1.094 nan 8.290 nan 0.000 0.570 134 G N -0.093 108.753 108.800 0.076 0.000 2.547 134 G HA2 0.374 4.334 3.960 -0.000 0.000 0.291 134 G HA3 0.374 4.334 3.960 -0.000 0.000 0.291 134 G C 0.342 175.287 174.900 0.074 0.000 1.211 134 G CA -0.498 44.641 45.100 0.065 0.000 0.950 134 G HN 0.834 nan 8.290 nan 0.000 0.504 138 V N 3.348 123.324 119.914 0.103 0.000 2.307 138 V HA -0.142 3.978 4.120 -0.000 0.000 0.245 138 V C 3.046 179.153 176.094 0.021 0.000 1.045 138 V CA 2.588 64.915 62.300 0.044 0.000 1.024 138 V CB -0.796 31.028 31.823 0.003 0.000 0.651 138 V HN 0.784 nan 8.190 nan 0.000 0.449 139 S N 0.129 115.855 115.700 0.045 0.000 2.383 139 S HA -0.093 4.377 4.470 -0.000 0.000 0.227 139 S C 1.954 176.575 174.600 0.035 0.000 1.026 139 S CA 1.312 59.533 58.200 0.035 0.000 0.981 139 S CB -0.602 62.646 63.200 0.080 0.000 0.818 139 S HN 0.498 nan 8.310 nan 0.000 0.472 140 L N 0.523 121.797 121.223 0.086 0.000 2.217 140 L HA 0.091 4.431 4.340 -0.000 0.000 0.211 140 L C 2.806 179.736 176.870 0.100 0.000 1.107 140 L CA 1.333 56.230 54.840 0.094 0.000 0.783 140 L CB -0.463 41.677 42.059 0.135 0.000 0.919 140 L HN 0.422 nan 8.230 nan 0.000 0.442 141 M N -0.099 119.581 119.600 0.134 0.000 2.123 141 M HA -0.186 4.294 4.480 -0.000 0.000 0.263 141 M C 2.157 178.471 176.300 0.024 0.000 1.069 141 M CA 1.831 57.242 55.300 0.186 0.000 1.133 141 M CB -0.001 32.707 32.600 0.181 0.000 1.356 141 M HN 0.153 nan 8.290 nan 0.000 0.415 142 L N 0.108 121.297 121.223 -0.056 0.000 2.201 142 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 142 L C 2.483 179.273 176.870 -0.132 0.000 1.105 142 L CA 0.606 55.364 54.840 -0.138 0.000 0.775 142 L CB -0.539 41.396 42.059 -0.207 0.000 0.913 142 L HN 0.430 nan 8.230 nan 0.000 0.440 143 M N -0.915 118.614 119.600 -0.119 0.000 2.394 143 M HA -0.058 4.422 4.480 -0.000 0.000 0.264 143 M C 2.247 178.505 176.300 -0.071 0.000 1.073 143 M CA 1.337 56.535 55.300 -0.171 0.000 1.111 143 M CB -0.917 31.470 32.600 -0.355 0.000 1.401 143 M HN 0.272 nan 8.290 nan 0.000 0.448 144 A N -1.074 121.735 122.820 -0.020 0.000 1.942 144 A HA 0.133 4.453 4.320 -0.000 0.000 0.209 144 A C 1.745 179.334 177.584 0.009 0.000 1.214 144 A CA 0.546 52.604 52.037 0.036 0.000 0.686 144 A CB -0.010 19.059 19.000 0.114 0.000 0.871 144 A HN 0.326 nan 8.150 nan 0.000 0.460 145 I N -0.125 120.429 120.570 -0.026 0.000 3.974 145 I HA 0.206 4.376 4.170 -0.000 0.000 0.334 145 I C 1.916 178.005 176.117 -0.047 0.000 1.437 145 I CA 0.381 61.647 61.300 -0.057 0.000 1.113 145 I CB 0.453 38.374 38.000 -0.131 0.000 1.063 145 I HN 0.234 nan 8.210 nan 0.000 0.400 146 G N 0.269 108.945 108.800 -0.208 0.000 2.479 146 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.220 146 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.220 146 G C 1.697 176.304 174.900 -0.488 0.000 1.115 146 G CA 0.746 45.594 45.100 -0.419 0.000 0.757 146 G HN 0.487 nan 8.290 nan 0.000 0.560 147 G N 0.932 109.497 108.800 -0.391 0.000 2.422 147 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.218 147 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.218 147 G C 1.727 176.589 174.900 -0.064 0.000 1.146 147 G CA 0.632 45.678 45.100 -0.091 0.000 0.769 147 G HN 0.446 nan 8.290 nan 0.000 0.547 148 L N -0.995 120.148 121.223 -0.132 0.000 2.201 148 L HA 0.107 4.447 4.340 -0.000 0.000 0.212 148 L C 2.573 179.282 176.870 -0.267 0.000 1.105 148 L CA 0.506 55.210 54.840 -0.226 0.000 0.775 148 L CB -0.318 41.532 42.059 -0.347 0.000 0.913 148 L HN 0.146 nan 8.230 nan 0.000 0.440 149 F N 0.101 119.960 119.950 -0.152 0.000 2.234 149 F HA -0.137 4.390 4.527 -0.000 0.000 0.296 149 F C 2.658 178.409 175.800 -0.082 0.000 1.089 149 F CA 1.135 59.060 58.000 -0.125 0.000 1.343 149 F CB -0.066 38.847 39.000 -0.144 0.000 1.040 149 F HN 0.071 nan 8.300 nan 0.000 0.498 150 E N 0.497 120.772 120.200 0.124 0.000 2.106 150 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 150 E C 1.364 177.989 176.600 0.041 0.000 0.984 150 E CA 0.952 57.411 56.400 0.099 0.000 0.806 150 E CB 0.130 29.930 29.700 0.166 0.000 0.750 150 E HN 0.049 nan 8.360 nan 0.000 0.458 151 K N 1.096 121.500 120.400 0.008 0.000 2.476 151 K HA -0.022 4.298 4.320 -0.000 0.000 0.196 151 K C -0.117 176.455 176.600 -0.046 0.000 1.025 151 K CA 0.387 56.661 56.287 -0.022 0.000 1.138 151 K CB 0.039 32.520 32.500 -0.032 0.000 0.860 151 K HN 0.155 nan 8.250 nan 0.000 0.515 152 D N 0.587 120.963 120.400 -0.041 0.000 2.708 152 D HA -0.193 4.447 4.640 -0.000 0.000 0.236 152 D C 0.192 176.428 176.300 -0.107 0.000 1.146 152 D CA 0.386 54.353 54.000 -0.054 0.000 0.662 152 D CB -1.184 39.597 40.800 -0.033 0.000 1.059 152 D HN 0.260 nan 8.370 nan 0.000 0.428 153 L N -1.034 120.089 121.223 -0.167 0.000 2.513 153 L HA 0.176 4.515 4.340 -0.000 0.000 0.222 153 L C 0.797 177.490 176.870 -0.294 0.000 1.096 153 L CA -0.025 54.690 54.840 -0.209 0.000 0.857 153 L CB 0.421 42.359 42.059 -0.200 0.000 1.026 153 L HN -0.023 nan 8.230 nan 0.000 0.469 154 V N 0.566 120.243 119.914 -0.396 0.000 2.432 154 V HA 0.018 4.138 4.120 -0.000 0.000 0.271 154 V C 1.080 177.008 176.094 -0.277 0.000 1.046 154 V CA 0.104 62.120 62.300 -0.475 0.000 0.945 154 V CB 1.482 32.757 31.823 -0.912 0.000 0.992 154 V HN 0.253 nan 8.190 nan 0.000 0.471 155 E N 5.372 125.408 120.200 -0.273 0.000 2.099 155 E HA 0.087 4.437 4.350 -0.000 0.000 0.191 155 E C 0.097 176.731 176.600 0.058 0.000 0.962 155 E CA 0.469 56.791 56.400 -0.129 0.000 0.826 155 E CB 0.558 30.136 29.700 -0.204 0.000 0.788 155 E HN 0.781 nan 8.360 nan 0.000 0.461 156 W N -0.541 120.695 121.300 -0.107 0.000 3.066 156 W HA 0.540 5.200 4.660 -0.000 0.000 0.330 156 W C -1.712 174.770 176.519 -0.062 0.000 1.253 156 W CA -0.855 56.463 57.345 -0.045 0.000 1.187 156 W CB 0.406 29.865 29.460 -0.001 0.000 1.434 156 W HN -0.270 nan 8.180 nan 0.000 0.572 157 I N 2.541 123.385 120.570 0.457 0.000 2.499 157 I HA 0.202 4.372 4.170 -0.000 0.000 0.288 157 I C -0.270 176.122 176.117 0.458 0.000 1.048 157 I CA -0.609 60.887 61.300 0.326 0.000 1.062 157 I CB 2.313 40.361 38.000 0.080 0.000 1.238 157 I HN 0.398 nan 8.210 nan 0.000 0.426 158 S N 6.147 122.156 115.700 0.516 0.000 2.422 158 S HA 0.628 5.098 4.470 -0.000 0.000 0.308 158 S C -0.655 174.164 174.600 0.364 0.000 1.097 158 S CA -0.457 57.980 58.200 0.396 0.000 1.099 158 S CB 0.607 64.075 63.200 0.447 0.000 0.976 158 S HN 0.329 nan 8.310 nan 0.000 0.471 159 V N 3.769 123.859 119.914 0.292 0.000 2.547 159 V HA 0.884 5.004 4.120 -0.000 0.000 0.299 159 V C 0.199 176.376 176.094 0.139 0.000 1.040 159 V CA -0.793 61.683 62.300 0.294 0.000 0.913 159 V CB 1.335 33.345 31.823 0.312 0.000 0.992 159 V HN 1.035 nan 8.190 nan 0.000 0.449 160 A N 2.607 125.476 122.820 0.082 0.000 2.411 160 A HA 0.750 5.070 4.320 -0.000 0.000 0.285 160 A C -0.050 177.503 177.584 -0.051 0.000 1.129 160 A CA -0.319 51.717 52.037 -0.003 0.000 0.736 160 A CB 1.326 20.344 19.000 0.031 0.000 1.186 160 A HN 0.974 nan 8.150 nan 0.000 0.445 161 T N -0.839 113.639 114.554 -0.127 0.000 2.934 161 T HA 0.682 5.032 4.350 -0.000 0.000 0.283 161 T C -0.851 173.693 174.700 -0.260 0.000 1.005 161 T CA -0.303 61.736 62.100 -0.103 0.000 1.041 161 T CB 0.737 69.547 68.868 -0.097 0.000 1.042 161 T HN 0.425 nan 8.240 nan 0.000 0.505 162 Y N 0.780 121.026 120.300 -0.091 0.000 2.705 162 Y HA 0.373 4.923 4.550 -0.000 0.000 0.355 162 Y C 0.463 176.321 175.900 -0.069 0.000 1.039 162 Y CA -0.964 57.117 58.100 -0.031 0.000 1.233 162 Y CB 0.708 39.201 38.460 0.055 0.000 1.103 162 Y HN 0.635 nan 8.280 nan 0.000 0.624 163 Q N 1.721 121.477 119.800 -0.074 0.000 2.261 163 Q HA 0.689 5.029 4.340 -0.000 0.000 0.252 163 Q C 0.002 176.031 176.000 0.048 0.000 0.915 163 Q CA -0.647 55.012 55.803 -0.240 0.000 0.915 163 Q CB 1.675 30.106 28.738 -0.511 0.000 1.204 163 Q HN 0.711 nan 8.270 nan 0.000 0.421 164 A N 1.535 124.542 122.820 0.313 0.000 2.304 164 A HA 0.472 4.792 4.320 -0.000 0.000 0.271 164 A C 0.928 178.693 177.584 0.301 0.000 1.091 164 A CA 0.224 52.441 52.037 0.300 0.000 0.812 164 A CB 0.490 19.666 19.000 0.294 0.000 1.056 164 A HN 0.926 nan 8.150 nan 0.000 0.489 165 A N 0.839 123.812 122.820 0.256 0.000 2.125 165 A HA -0.025 4.295 4.320 -0.000 0.000 0.219 165 A C 2.300 180.030 177.584 0.243 0.000 1.156 165 A CA 1.996 54.238 52.037 0.342 0.000 0.671 165 A CB -0.767 18.458 19.000 0.375 0.000 0.794 165 A HN 0.976 nan 8.150 nan 0.000 0.459 166 S N -0.409 115.401 115.700 0.184 0.000 2.370 166 S HA -0.097 4.373 4.470 -0.000 0.000 0.226 166 S C 2.001 176.665 174.600 0.106 0.000 1.033 166 S CA 1.718 59.981 58.200 0.106 0.000 1.011 166 S CB -0.514 62.715 63.200 0.050 0.000 0.852 166 S HN 0.724 nan 8.310 nan 0.000 0.457 167 G N -0.024 108.888 108.800 0.186 0.000 2.471 167 G HA2 0.092 4.052 3.960 -0.000 0.000 0.219 167 G HA3 0.092 4.052 3.960 -0.000 0.000 0.219 167 G C 1.434 176.429 174.900 0.159 0.000 1.125 167 G CA 0.823 46.041 45.100 0.197 0.000 0.775 167 G HN 0.630 nan 8.290 nan 0.000 0.548 168 A N -0.621 122.296 122.820 0.161 0.000 1.975 168 A HA 0.575 4.895 4.320 -0.000 0.000 0.215 168 A C 1.308 178.901 177.584 0.013 0.000 1.170 168 A CA 1.532 53.627 52.037 0.098 0.000 0.656 168 A CB -0.113 18.962 19.000 0.126 0.000 0.821 168 A HN 1.592 nan 8.150 nan 0.000 0.449 169 G N -3.636 105.173 108.800 0.016 0.000 2.347 169 G HA2 0.463 4.423 3.960 -0.000 0.000 0.321 169 G HA3 0.463 4.423 3.960 -0.000 0.000 0.321 169 G C 0.512 175.399 174.900 -0.022 0.000 1.412 169 G CA -0.095 44.995 45.100 -0.016 0.000 0.990 169 G HN 0.970 nan 8.290 nan 0.000 0.637 170 A N -0.058 122.746 122.820 -0.027 0.000 1.902 170 A HA 0.069 4.389 4.320 -0.000 0.000 0.217 170 A C 2.120 179.681 177.584 -0.038 0.000 1.181 170 A CA 2.231 54.253 52.037 -0.025 0.000 0.623 170 A CB -0.388 18.595 19.000 -0.030 0.000 0.818 170 A HN 0.622 nan 8.150 nan 0.000 0.443 171 K N -0.133 120.228 120.400 -0.065 0.000 2.288 171 K HA -0.038 4.282 4.320 -0.000 0.000 0.201 171 K C 1.472 177.999 176.600 -0.121 0.000 1.048 171 K CA 0.977 57.215 56.287 -0.083 0.000 0.956 171 K CB -0.182 32.263 32.500 -0.092 0.000 0.746 171 K HN 0.523 nan 8.250 nan 0.000 0.461 172 N N 0.678 119.273 118.700 -0.175 0.000 2.216 172 N HA -0.066 4.674 4.740 -0.000 0.000 0.183 172 N C 1.768 177.292 175.510 0.023 0.000 1.017 172 N CA 1.006 53.870 53.050 -0.309 0.000 0.861 172 N CB 0.003 38.200 38.487 -0.483 0.000 0.986 172 N HN 0.187 nan 8.380 nan 0.000 0.428 173 M N 0.642 120.275 119.600 0.055 0.000 2.175 173 M HA -0.063 4.417 4.480 -0.000 0.000 0.264 173 M C 2.053 178.397 176.300 0.074 0.000 1.063 173 M CA 1.325 56.686 55.300 0.101 0.000 1.119 173 M CB -0.060 32.579 32.600 0.065 0.000 1.377 173 M HN 0.028 nan 8.290 nan 0.000 0.415 174 R N -0.191 120.326 120.500 0.029 0.000 2.092 174 R HA -0.129 4.211 4.340 -0.000 0.000 0.231 174 R C 2.102 178.410 176.300 0.013 0.000 1.119 174 R CA 1.282 57.388 56.100 0.011 0.000 0.970 174 R CB -0.335 29.956 30.300 -0.014 0.000 0.864 174 R HN 0.470 nan 8.270 nan 0.000 0.440 175 E N 0.958 121.170 120.200 0.020 0.000 2.072 175 E HA -0.186 4.164 4.350 -0.000 0.000 0.191 175 E C 1.922 178.569 176.600 0.079 0.000 0.985 175 E CA 0.707 57.122 56.400 0.025 0.000 0.801 175 E CB 0.061 29.775 29.700 0.023 0.000 0.750 175 E HN 0.115 nan 8.360 nan 0.000 0.452 176 L N 0.932 122.267 121.223 0.187 0.000 2.012 176 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 176 L C 2.083 178.995 176.870 0.070 0.000 1.073 176 L CA 1.630 56.562 54.840 0.154 0.000 0.748 176 L CB -0.466 41.705 42.059 0.186 0.000 0.891 176 L HN 0.207 nan 8.230 nan 0.000 0.431 177 L N -1.031 120.227 121.223 0.058 0.000 2.046 177 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 177 L C 2.494 179.373 176.870 0.015 0.000 1.077 177 L CA 1.469 56.331 54.840 0.037 0.000 0.747 177 L CB -0.724 41.355 42.059 0.032 0.000 0.896 177 L HN 0.238 nan 8.230 nan 0.000 0.432 178 S N -0.782 114.911 115.700 -0.012 0.000 2.368 178 S HA -0.227 4.243 4.470 -0.000 0.000 0.225 178 S C 1.940 176.492 174.600 -0.081 0.000 1.030 178 S CA 1.171 59.344 58.200 -0.045 0.000 0.999 178 S CB -0.228 62.928 63.200 -0.073 0.000 0.844 178 S HN 0.434 nan 8.310 nan 0.000 0.459 179 Q N 0.475 120.195 119.800 -0.134 0.000 2.050 179 Q HA -0.042 4.298 4.340 -0.000 0.000 0.202 179 Q C 2.276 178.336 176.000 0.100 0.000 0.980 179 Q CA 1.294 56.978 55.803 -0.197 0.000 0.840 179 Q CB -0.271 28.362 28.738 -0.175 0.000 0.898 179 Q HN 0.538 nan 8.270 nan 0.000 0.424 180 M N -0.500 119.149 119.600 0.082 0.000 2.117 180 M HA -0.111 4.369 4.480 -0.000 0.000 0.262 180 M C 2.206 178.560 176.300 0.089 0.000 1.065 180 M CA 1.545 56.904 55.300 0.097 0.000 1.114 180 M CB -0.471 32.170 32.600 0.068 0.000 1.361 180 M HN 0.340 nan 8.290 nan 0.000 0.408 181 G N -0.043 108.796 108.800 0.064 0.000 2.422 181 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.218 181 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.218 181 G C 1.355 176.300 174.900 0.075 0.000 1.140 181 G CA 0.380 45.513 45.100 0.056 0.000 0.775 181 G HN 0.232 nan 8.290 nan 0.000 0.545 182 L N 0.218 121.505 121.223 0.107 0.000 2.240 182 L HA 0.263 4.603 4.340 -0.000 0.000 0.211 182 L C 2.692 179.676 176.870 0.189 0.000 1.106 182 L CA 0.783 55.717 54.840 0.157 0.000 0.793 182 L CB -0.209 41.974 42.059 0.206 0.000 0.927 182 L HN 0.163 nan 8.230 nan 0.000 0.446 183 L N -1.132 120.211 121.223 0.200 0.000 2.072 183 L HA -0.133 4.207 4.340 -0.000 0.000 0.205 183 L C 2.511 179.424 176.870 0.072 0.000 1.079 183 L CA 1.062 55.981 54.840 0.132 0.000 0.752 183 L CB -0.461 41.677 42.059 0.131 0.000 0.906 183 L HN 0.312 nan 8.230 nan 0.000 0.436 184 E N -0.042 120.200 120.200 0.069 0.000 2.112 184 E HA -0.186 4.164 4.350 -0.000 0.000 0.190 184 E C 2.066 178.691 176.600 0.042 0.000 0.979 184 E CA 0.811 57.239 56.400 0.047 0.000 0.814 184 E CB 0.173 29.898 29.700 0.043 0.000 0.762 184 E HN 0.400 nan 8.360 nan 0.000 0.460 185 Q N 0.063 119.893 119.800 0.051 0.000 2.170 185 Q HA -0.068 4.272 4.340 -0.000 0.000 0.203 185 Q C 1.976 177.998 176.000 0.038 0.000 0.976 185 Q CA 1.198 57.026 55.803 0.043 0.000 0.858 185 Q CB -0.349 28.418 28.738 0.048 0.000 0.907 185 Q HN 0.319 nan 8.270 nan 0.000 0.433 186 A N 0.471 123.316 122.820 0.042 0.000 2.070 186 A HA -0.066 4.254 4.320 -0.000 0.000 0.220 186 A C 1.741 179.335 177.584 0.017 0.000 1.159 186 A CA 1.523 53.578 52.037 0.029 0.000 0.656 186 A CB -0.023 18.991 19.000 0.023 0.000 0.800 186 A HN 0.240 nan 8.150 nan 0.000 0.453 187 V N -4.248 115.677 119.914 0.018 0.000 3.078 187 V HA 0.288 4.408 4.120 -0.000 0.000 0.344 187 V C 1.348 177.451 176.094 0.014 0.000 1.409 187 V CA 0.554 62.862 62.300 0.013 0.000 1.146 187 V CB -0.628 31.200 31.823 0.009 0.000 1.126 187 V HN 0.270 nan 8.190 nan 0.000 0.513 188 S N 1.442 117.152 115.700 0.017 0.000 2.372 188 S HA -0.284 4.186 4.470 -0.000 0.000 0.227 188 S C 2.171 176.778 174.600 0.013 0.000 1.044 188 S CA 2.765 60.975 58.200 0.017 0.000 1.050 188 S CB -0.214 62.997 63.200 0.018 0.000 0.901 188 S HN 0.840 nan 8.310 nan 0.000 0.447 189 S N 0.081 115.787 115.700 0.011 0.000 2.371 189 S HA -0.071 4.399 4.470 -0.000 0.000 0.224 189 S C 1.732 176.336 174.600 0.008 0.000 1.029 189 S CA 1.564 59.770 58.200 0.009 0.000 0.978 189 S CB -0.535 62.670 63.200 0.008 0.000 0.833 189 S HN 0.608 nan 8.310 nan 0.000 0.466 190 E N 1.229 121.433 120.200 0.007 0.000 2.110 190 E HA -0.004 4.346 4.350 -0.000 0.000 0.193 190 E C 1.924 178.528 176.600 0.006 0.000 0.988 190 E CA 0.915 57.318 56.400 0.006 0.000 0.804 190 E CB -0.274 29.429 29.700 0.004 0.000 0.745 190 E HN 0.470 nan 8.360 nan 0.000 0.458 191 L N 0.403 121.631 121.223 0.008 0.000 2.291 191 L HA -0.095 4.245 4.340 -0.000 0.000 0.214 191 L C 2.008 178.882 176.870 0.008 0.000 1.120 191 L CA 0.678 55.523 54.840 0.008 0.000 0.799 191 L CB -0.146 41.919 42.059 0.011 0.000 0.925 191 L HN 0.038 nan 8.230 nan 0.000 0.446 192 K N 0.268 120.673 120.400 0.008 0.000 2.155 192 K HA -0.071 4.249 4.320 -0.000 0.000 0.203 192 K C 0.403 177.007 176.600 0.006 0.000 1.052 192 K CA 0.637 56.928 56.287 0.007 0.000 0.948 192 K CB -0.304 32.200 32.500 0.007 0.000 0.728 192 K HN 0.417 nan 8.250 nan 0.000 0.448 193 D N 0.800 121.203 120.400 0.005 0.000 2.280 193 D HA 0.093 4.733 4.640 -0.000 0.000 0.236 193 D C -1.909 174.394 176.300 0.004 0.000 1.082 193 D CA -1.850 52.153 54.000 0.004 0.000 0.834 193 D CB 1.865 42.667 40.800 0.004 0.000 1.100 193 D HN -0.134 nan 8.370 nan 0.000 0.486 194 P HA -0.081 nan 4.420 nan 0.000 0.225 194 P C 0.993 178.294 177.300 0.002 0.000 1.148 194 P CA 0.548 63.650 63.100 0.003 0.000 0.779 194 P CB 0.255 31.957 31.700 0.003 0.000 0.780 195 A N 0.319 123.141 122.820 0.002 0.000 2.208 195 A HA 0.104 4.424 4.320 -0.000 0.000 0.209 195 A C 1.308 178.893 177.584 0.001 0.000 1.161 195 A CA 0.169 52.207 52.037 0.002 0.000 0.782 195 A CB -0.886 18.115 19.000 0.002 0.000 0.816 195 A HN 0.377 nan 8.150 nan 0.000 0.477 196 S N 0.004 115.705 115.700 0.002 0.000 2.573 196 S HA 0.290 4.760 4.470 -0.000 0.000 0.277 196 S C 0.430 175.030 174.600 0.001 0.000 1.346 196 S CA 0.196 58.397 58.200 0.001 0.000 1.034 196 S CB 0.727 63.928 63.200 0.002 0.000 0.879 196 S HN 0.476 nan 8.310 nan 0.000 0.528 197 S N 0.910 116.610 115.700 -0.000 0.000 2.510 197 S HA 0.150 4.620 4.470 -0.000 0.000 0.279 197 S C 0.854 175.453 174.600 -0.001 0.000 1.284 197 S CA -0.785 57.414 58.200 -0.001 0.000 1.059 197 S CB -0.123 63.076 63.200 -0.002 0.000 0.901 197 S HN 0.705 nan 8.310 nan 0.000 0.491 198 I N 5.904 126.473 120.570 -0.001 0.000 2.439 198 I HA 0.018 4.188 4.170 -0.000 0.000 0.251 198 I C 1.692 177.807 176.117 -0.004 0.000 1.139 198 I CA 1.236 62.535 61.300 -0.002 0.000 1.438 198 I CB -0.251 37.748 38.000 -0.001 0.000 1.085 198 I HN 0.807 nan 8.210 nan 0.000 0.427 199 L N -0.131 121.089 121.223 -0.004 0.000 2.156 199 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 199 L C 2.079 178.945 176.870 -0.008 0.000 1.095 199 L CA 1.665 56.501 54.840 -0.006 0.000 0.770 199 L CB -0.739 41.317 42.059 -0.006 0.000 0.914 199 L HN 0.290 nan 8.230 nan 0.000 0.439 200 D N 0.499 120.895 120.400 -0.006 0.000 2.149 200 D HA -0.146 4.494 4.640 -0.000 0.000 0.201 200 D C 2.212 178.508 176.300 -0.007 0.000 0.972 200 D CA 0.940 54.936 54.000 -0.007 0.000 0.835 200 D CB 0.127 40.924 40.800 -0.004 0.000 0.966 200 D HN 0.204 nan 8.370 nan 0.000 0.476 201 I N 0.380 120.947 120.570 -0.006 0.000 2.179 201 I HA -0.230 3.940 4.170 -0.000 0.000 0.242 201 I C 2.349 178.460 176.117 -0.010 0.000 1.088 201 I CA 1.549 62.847 61.300 -0.005 0.000 1.357 201 I CB -0.384 37.615 38.000 -0.001 0.000 1.051 201 I HN 0.170 nan 8.210 nan 0.000 0.409 202 E N 1.504 121.697 120.200 -0.011 0.000 2.077 202 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 202 E C 2.181 178.767 176.600 -0.025 0.000 0.989 202 E CA 1.387 57.777 56.400 -0.017 0.000 0.800 202 E CB -0.383 29.309 29.700 -0.014 0.000 0.746 202 E HN 0.288 nan 8.360 nan 0.000 0.452 203 R N 0.278 120.765 120.500 -0.022 0.000 2.120 203 R HA -0.026 4.314 4.340 -0.000 0.000 0.234 203 R C 2.258 178.540 176.300 -0.031 0.000 1.123 203 R CA 1.721 57.805 56.100 -0.026 0.000 0.975 203 R CB -0.130 30.159 30.300 -0.019 0.000 0.866 203 R HN 0.215 nan 8.270 nan 0.000 0.446 204 K N -0.238 120.146 120.400 -0.026 0.000 2.186 204 K HA -0.001 4.319 4.320 -0.000 0.000 0.202 204 K C 1.958 178.534 176.600 -0.040 0.000 1.052 204 K CA 0.714 56.985 56.287 -0.027 0.000 0.965 204 K CB 0.225 32.717 32.500 -0.014 0.000 0.746 204 K HN -0.034 nan 8.250 nan 0.000 0.457 205 V N 1.194 121.083 119.914 -0.040 0.000 2.427 205 V HA -0.203 3.917 4.120 -0.000 0.000 0.248 205 V C 1.977 178.005 176.094 -0.109 0.000 1.051 205 V CA 1.970 64.237 62.300 -0.055 0.000 1.048 205 V CB -0.480 31.324 31.823 -0.032 0.000 0.666 205 V HN 0.354 nan 8.190 nan 0.000 0.456 206 T N 0.420 114.917 114.554 -0.095 0.000 2.857 206 T HA -0.061 4.289 4.350 -0.000 0.000 0.266 206 T C 2.069 176.683 174.700 -0.143 0.000 1.048 206 T CA 1.371 63.400 62.100 -0.118 0.000 1.139 206 T CB -0.332 68.491 68.868 -0.076 0.000 0.874 206 T HN 0.542 nan 8.240 nan 0.000 0.455 207 A N 1.606 124.362 122.820 -0.107 0.000 1.933 207 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 207 A C 2.205 179.710 177.584 -0.130 0.000 1.175 207 A CA 1.806 53.787 52.037 -0.094 0.000 0.628 207 A CB -0.425 18.542 19.000 -0.056 0.000 0.814 207 A HN 0.343 nan 8.150 nan 0.000 0.444 208 K N -0.347 119.957 120.400 -0.160 0.000 2.103 208 K HA 0.006 4.326 4.320 -0.000 0.000 0.204 208 K C 1.964 178.233 176.600 -0.551 0.000 1.052 208 K CA 1.724 57.894 56.287 -0.194 0.000 0.945 208 K CB -0.413 32.027 32.500 -0.100 0.000 0.722 208 K HN 0.471 nan 8.250 nan 0.000 0.443 209 M N -0.196 118.962 119.600 -0.737 0.000 2.213 209 M HA -0.120 4.360 4.480 -0.000 0.000 0.263 209 M C 1.347 177.258 176.300 -0.649 0.000 1.062 209 M CA 1.596 56.183 55.300 -1.188 0.000 1.105 209 M CB 0.138 32.367 32.600 -0.617 0.000 1.385 209 M HN 0.009 nan 8.290 nan 0.000 0.417 210 R N 0.172 120.477 120.500 -0.325 0.000 2.300 210 R HA 0.312 4.652 4.340 -0.000 0.000 0.199 210 R C 0.587 176.846 176.300 -0.069 0.000 0.920 210 R CA 0.083 56.097 56.100 -0.143 0.000 1.046 210 R CB 0.048 30.289 30.300 -0.099 0.000 0.984 210 R HN 0.332 nan 8.270 nan 0.000 0.493 211 A N 1.182 123.959 122.820 -0.072 0.000 2.406 211 A HA 0.008 4.328 4.320 -0.000 0.000 0.243 211 A C 0.370 178.003 177.584 0.082 0.000 1.082 211 A CA -0.291 51.754 52.037 0.013 0.000 0.786 211 A CB 0.346 19.361 19.000 0.026 0.000 1.029 211 A HN 0.054 nan 8.150 nan 0.000 0.495 212 D N 0.651 121.091 120.400 0.068 0.000 2.144 212 D HA -0.151 4.489 4.640 -0.000 0.000 0.200 212 D C 1.270 177.628 176.300 0.097 0.000 0.978 212 D CA 1.857 55.901 54.000 0.073 0.000 0.833 212 D CB -0.177 40.651 40.800 0.046 0.000 0.961 212 D HN 0.761 nan 8.370 nan 0.000 0.470 213 N N 0.165 118.928 118.700 0.105 0.000 2.461 213 N HA -0.118 4.622 4.740 -0.000 0.000 0.188 213 N C 0.028 175.630 175.510 0.153 0.000 1.134 213 N CA -0.208 52.904 53.050 0.103 0.000 0.878 213 N CB -0.948 37.585 38.487 0.076 0.000 0.972 213 N HN 0.103 nan 8.380 nan 0.000 0.456 214 F N 3.294 123.256 119.950 0.020 0.000 2.471 214 F HA 0.269 4.796 4.527 0.000 0.000 0.365 214 F C -1.753 174.068 175.800 0.034 0.000 1.095 214 F CA -2.475 55.540 58.000 0.026 0.000 1.174 214 F CB 0.677 39.692 39.000 0.025 0.000 1.105 214 F HN -0.028 nan 8.300 nan 0.000 0.535 215 P HA 0.007 nan 4.420 nan 0.000 0.263 215 P C -0.068 177.129 177.300 -0.171 0.000 1.247 215 P CA 0.122 63.102 63.100 -0.200 0.000 0.876 215 P CB 0.389 31.962 31.700 -0.211 0.000 0.928 216 T N -1.816 112.731 114.554 -0.011 0.000 3.111 216 T HA 0.122 4.472 4.350 -0.000 0.000 0.284 216 T C 0.819 175.563 174.700 0.073 0.000 0.983 216 T CA -0.113 62.036 62.100 0.081 0.000 0.900 216 T CB -0.310 68.654 68.868 0.159 0.000 1.132 216 T HN -0.029 nan 8.240 nan 0.000 0.531 217 D N 2.250 122.661 120.400 0.019 0.000 2.182 217 D HA -0.064 4.576 4.640 -0.000 0.000 0.201 217 D C 2.025 178.305 176.300 -0.033 0.000 0.986 217 D CA 0.952 54.951 54.000 -0.002 0.000 0.847 217 D CB -0.038 40.752 40.800 -0.017 0.000 0.942 217 D HN 0.415 nan 8.370 nan 0.000 0.467 218 N N -0.945 117.703 118.700 -0.086 0.000 2.333 218 N HA -0.015 4.725 4.740 -0.000 0.000 0.178 218 N C 1.272 176.615 175.510 -0.278 0.000 1.018 218 N CA 0.543 53.459 53.050 -0.224 0.000 0.882 218 N CB 0.038 38.303 38.487 -0.370 0.000 0.984 218 N HN 0.261 nan 8.380 nan 0.000 0.434 219 F N -0.002 119.959 119.950 0.017 0.000 2.505 219 F HA 0.224 4.751 4.527 0.000 0.000 0.289 219 F C 1.848 177.667 175.800 0.032 0.000 1.101 219 F CA 0.416 58.436 58.000 0.034 0.000 1.446 219 F CB 0.335 39.360 39.000 0.041 0.000 1.123 219 F HN 0.068 nan 8.300 nan 0.000 0.564 220 G N 0.748 109.666 108.800 0.197 0.000 2.176 220 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.253 220 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.253 220 G C 0.003 174.974 174.900 0.118 0.000 0.979 220 G CA -0.022 45.148 45.100 0.116 0.000 0.641 220 G HN 0.859 nan 8.290 nan 0.000 0.530 221 A N -1.548 121.374 122.820 0.171 0.000 2.566 221 A HA 0.985 5.305 4.320 -0.000 0.000 0.290 221 A C -0.033 177.653 177.584 0.170 0.000 1.071 221 A CA 0.255 52.374 52.037 0.137 0.000 0.658 221 A CB 0.097 19.147 19.000 0.083 0.000 1.285 221 A HN 2.107 nan 8.150 nan 0.000 0.427 222 A N -0.336 122.587 122.820 0.172 0.000 2.440 222 A HA 0.549 4.869 4.320 -0.000 0.000 0.251 222 A C 0.530 178.143 177.584 0.048 0.000 1.089 222 A CA 0.395 52.576 52.037 0.241 0.000 0.779 222 A CB 0.311 19.495 19.000 0.306 0.000 1.022 222 A HN 1.876 nan 8.150 nan 0.000 0.492 223 L N 2.845 124.049 121.223 -0.031 0.000 2.624 223 L HA 0.314 4.654 4.340 -0.000 0.000 0.222 223 L C 2.213 179.051 176.870 -0.055 0.000 1.046 223 L CA 1.931 56.642 54.840 -0.214 0.000 0.872 223 L CB -0.760 40.900 42.059 -0.667 0.000 1.190 223 L HN 0.837 nan 8.230 nan 0.000 0.487 224 G N 0.234 109.066 108.800 0.053 0.000 2.766 224 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.222 224 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.222 224 G C 1.109 176.063 174.900 0.090 0.000 1.225 224 G CA 0.885 46.053 45.100 0.114 0.000 0.784 224 G HN 0.590 nan 8.290 nan 0.000 0.631 225 G N -1.071 107.785 108.800 0.093 0.000 4.222 225 G HA2 0.521 4.481 3.960 -0.000 0.000 0.301 225 G HA3 0.521 4.481 3.960 -0.000 0.000 0.301 225 G C -0.130 174.782 174.900 0.021 0.000 1.171 225 G CA 0.986 46.113 45.100 0.046 0.000 0.937 225 G HN 0.685 nan 8.290 nan 0.000 0.557 226 S N -0.934 114.775 115.700 0.015 0.000 3.341 226 S HA 0.841 5.311 4.470 -0.000 0.000 0.326 226 S C -1.808 172.779 174.600 -0.021 0.000 1.178 226 S CA -0.308 57.891 58.200 -0.002 0.000 1.002 226 S CB 0.878 64.078 63.200 0.000 0.000 1.385 226 S HN 0.847 nan 8.310 nan 0.000 0.710 227 L N -0.486 120.718 121.223 -0.032 0.000 2.671 227 L HA 0.760 5.100 4.340 -0.000 0.000 0.259 227 L C -1.674 175.170 176.870 -0.044 0.000 1.021 227 L CA -0.656 54.154 54.840 -0.051 0.000 0.871 227 L CB 1.206 43.243 42.059 -0.036 0.000 1.472 227 L HN 0.585 nan 8.230 nan 0.000 0.410 228 I N 1.784 122.326 120.570 -0.045 0.000 2.448 228 I HA 0.414 4.584 4.170 -0.000 0.000 0.281 228 I C -2.114 174.033 176.117 0.049 0.000 1.027 228 I CA -1.168 60.140 61.300 0.013 0.000 1.111 228 I CB 2.637 40.647 38.000 0.016 0.000 1.236 228 I HN 0.559 nan 8.210 nan 0.000 0.452 229 P HA 0.057 nan 4.420 nan 0.000 0.228 229 P C -0.915 176.499 177.300 0.190 0.000 1.764 229 P CA 0.157 63.306 63.100 0.082 0.000 0.929 229 P CB -0.161 31.576 31.700 0.061 0.000 1.675 230 W N 1.459 122.756 121.300 -0.004 0.000 3.544 230 W HA 0.410 5.070 4.660 -0.000 0.000 0.326 230 W C -2.296 174.244 176.519 0.035 0.000 1.137 230 W CA -0.585 56.769 57.345 0.016 0.000 1.252 230 W CB 1.308 30.781 29.460 0.021 0.000 1.302 230 W HN -0.244 nan 8.180 nan 0.000 0.467 231 I N 6.871 127.452 120.570 0.019 0.000 2.478 231 I HA 0.218 4.388 4.170 -0.000 0.000 0.287 231 I C 0.158 176.306 176.117 0.052 0.000 1.042 231 I CA -0.190 61.173 61.300 0.105 0.000 1.067 231 I CB 1.775 39.805 38.000 0.050 0.000 1.233 231 I HN 0.362 nan 8.210 nan 0.000 0.431 232 D N 4.064 124.575 120.400 0.185 0.000 6.122 232 D HA -0.151 4.489 4.640 -0.000 0.000 0.318 232 D C -0.456 175.997 176.300 0.256 0.000 2.527 232 D CA 0.509 54.608 54.000 0.165 0.000 1.441 232 D CB 0.424 41.277 40.800 0.088 0.000 1.140 232 D HN 0.453 nan 8.370 nan 0.000 1.272 233 K N -0.170 120.346 120.400 0.193 0.000 2.180 233 K HA 0.355 4.675 4.320 -0.000 0.000 0.251 233 K C 0.307 177.014 176.600 0.179 0.000 1.014 233 K CA -0.611 55.817 56.287 0.235 0.000 0.913 233 K CB 0.414 32.984 32.500 0.116 0.000 1.008 233 K HN 0.323 nan 8.250 nan 0.000 0.490 234 L N 2.012 123.400 121.223 0.276 0.000 2.371 234 L HA 0.182 4.522 4.340 -0.000 0.000 0.272 234 L C -1.088 175.807 176.870 0.041 0.000 1.124 234 L CA -0.131 54.821 54.840 0.187 0.000 0.816 234 L CB 0.543 42.831 42.059 0.381 0.000 1.129 234 L HN 0.307 nan 8.230 nan 0.000 0.448 235 L N 7.496 128.703 121.223 -0.027 0.000 2.283 235 L HA 0.385 4.725 4.340 -0.000 0.000 0.281 235 L C -1.645 175.209 176.870 -0.026 0.000 1.033 235 L CA -1.809 52.984 54.840 -0.078 0.000 0.848 235 L CB 0.646 42.607 42.059 -0.164 0.000 1.226 235 L HN 0.519 nan 8.230 nan 0.000 0.429 236 P HA -0.158 nan 4.420 nan 0.000 0.220 236 P C 1.011 178.313 177.300 0.003 0.000 1.144 236 P CA 1.081 64.188 63.100 0.012 0.000 0.800 236 P CB 0.538 32.243 31.700 0.009 0.000 0.772 237 E N -1.272 118.921 120.200 -0.011 0.000 2.158 237 E HA -0.066 4.284 4.350 -0.000 0.000 0.191 237 E C 1.760 178.360 176.600 0.000 0.000 0.982 237 E CA 1.784 58.181 56.400 -0.005 0.000 0.823 237 E CB -0.821 28.876 29.700 -0.006 0.000 0.766 237 E HN 0.428 nan 8.360 nan 0.000 0.468 238 T N -4.657 109.897 114.554 0.000 0.000 2.955 238 T HA 0.375 4.725 4.350 -0.000 0.000 0.251 238 T C 1.563 176.256 174.700 -0.011 0.000 1.002 238 T CA 0.674 62.774 62.100 -0.001 0.000 0.970 238 T CB 0.870 69.753 68.868 0.026 0.000 1.091 238 T HN 0.199 nan 8.240 nan 0.000 0.495 239 G N 1.331 110.127 108.800 -0.008 0.000 2.195 239 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.246 239 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.246 239 G C -0.034 174.827 174.900 -0.065 0.000 0.984 239 G CA 0.078 45.172 45.100 -0.009 0.000 0.633 239 G HN 0.687 nan 8.290 nan 0.000 0.525 240 Q N 0.891 120.652 119.800 -0.065 0.000 2.382 240 Q HA 0.532 4.872 4.340 -0.000 0.000 0.229 240 Q C 0.928 176.817 176.000 -0.184 0.000 1.006 240 Q CA 0.453 56.194 55.803 -0.103 0.000 0.916 240 Q CB 0.705 29.455 28.738 0.020 0.000 1.235 240 Q HN 0.521 nan 8.270 nan 0.000 0.512 241 T N -2.533 111.855 114.554 -0.277 0.000 2.927 241 T HA 0.262 4.612 4.350 -0.000 0.000 0.281 241 T C 0.768 175.418 174.700 -0.083 0.000 0.998 241 T CA -0.895 61.007 62.100 -0.330 0.000 1.019 241 T CB 1.158 69.667 68.868 -0.598 0.000 1.061 241 T HN 0.467 nan 8.240 nan 0.000 0.518 242 K N -0.055 120.325 120.400 -0.035 0.000 2.147 242 K HA -0.139 4.181 4.320 -0.000 0.000 0.205 242 K C 2.142 178.845 176.600 0.172 0.000 1.049 242 K CA 1.459 57.789 56.287 0.071 0.000 0.936 242 K CB -0.124 32.393 32.500 0.030 0.000 0.722 242 K HN 0.731 nan 8.250 nan 0.000 0.446 243 E N 1.281 121.527 120.200 0.078 0.000 2.106 243 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 243 E C 1.422 178.071 176.600 0.081 0.000 0.984 243 E CA 1.482 57.930 56.400 0.081 0.000 0.806 243 E CB 0.163 29.879 29.700 0.028 0.000 0.750 243 E HN 0.275 nan 8.360 nan 0.000 0.458 244 E N -1.102 119.124 120.200 0.044 0.000 2.107 244 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 244 E C 1.548 178.216 176.600 0.113 0.000 0.982 244 E CA 0.820 57.243 56.400 0.040 0.000 0.809 244 E CB -0.296 29.383 29.700 -0.035 0.000 0.756 244 E HN 0.408 nan 8.360 nan 0.000 0.459 245 W N 2.202 123.488 121.300 -0.023 0.000 2.388 245 W HA -0.121 4.539 4.660 -0.000 0.000 0.294 245 W C 1.510 178.070 176.519 0.068 0.000 1.212 245 W CA 1.220 58.574 57.345 0.016 0.000 1.271 245 W CB 0.180 29.640 29.460 0.001 0.000 1.126 245 W HN -0.177 nan 8.180 nan 0.000 0.535 246 K N -0.223 120.272 120.400 0.158 0.000 2.360 246 K HA -0.060 4.260 4.320 -0.000 0.000 0.201 246 K C 2.248 178.792 176.600 -0.094 0.000 1.046 246 K CA 1.044 57.319 56.287 -0.020 0.000 0.945 246 K CB -0.655 31.931 32.500 0.142 0.000 0.750 246 K HN 0.335 nan 8.250 nan 0.000 0.464 247 G N 0.124 108.907 108.800 -0.028 0.000 2.408 247 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.217 247 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.217 247 G C 1.301 176.187 174.900 -0.022 0.000 1.150 247 G CA 0.517 45.617 45.100 0.001 0.000 0.776 247 G HN 0.280 nan 8.290 nan 0.000 0.542 248 Y N 1.494 121.659 120.300 -0.226 0.000 2.231 248 Y HA 0.321 4.870 4.550 -0.000 0.000 0.294 248 Y C 2.878 178.574 175.900 -0.341 0.000 1.120 248 Y CA 1.036 58.989 58.100 -0.244 0.000 1.141 248 Y CB -0.262 38.045 38.460 -0.254 0.000 1.022 248 Y HN 0.215 nan 8.280 nan 0.000 0.523 249 A N 0.203 122.728 122.820 -0.491 0.000 1.873 249 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 249 A C 2.023 179.368 177.584 -0.399 0.000 1.186 249 A CA 1.902 53.566 52.037 -0.623 0.000 0.616 249 A CB -0.576 17.657 19.000 -1.278 0.000 0.823 249 A HN 0.596 nan 8.150 nan 0.000 0.442 250 E N -0.992 119.021 120.200 -0.311 0.000 2.230 250 E HA -0.059 4.291 4.350 -0.000 0.000 0.192 250 E C 1.935 178.426 176.600 -0.181 0.000 0.987 250 E CA 1.115 57.405 56.400 -0.183 0.000 0.841 250 E CB -0.184 29.457 29.700 -0.099 0.000 0.783 250 E HN 0.559 nan 8.360 nan 0.000 0.481 251 T N 1.662 116.087 114.554 -0.216 0.000 2.746 251 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 251 T C 1.607 176.132 174.700 -0.292 0.000 1.039 251 T CA 0.988 62.927 62.100 -0.269 0.000 1.142 251 T CB -0.144 68.559 68.868 -0.276 0.000 0.866 251 T HN 0.116 nan 8.240 nan 0.000 0.444 252 N N 0.751 119.280 118.700 -0.285 0.000 2.331 252 N HA -0.018 4.722 4.740 -0.000 0.000 0.180 252 N C 1.823 177.222 175.510 -0.186 0.000 1.019 252 N CA 0.761 53.658 53.050 -0.255 0.000 0.881 252 N CB -0.062 38.223 38.487 -0.337 0.000 0.972 252 N HN 0.415 nan 8.380 nan 0.000 0.435 253 K N 1.042 121.340 120.400 -0.170 0.000 2.116 253 K HA 0.124 4.444 4.320 -0.000 0.000 0.203 253 K C 2.040 178.591 176.600 -0.082 0.000 1.052 253 K CA 0.369 56.591 56.287 -0.109 0.000 0.952 253 K CB 0.090 32.535 32.500 -0.092 0.000 0.729 253 K HN -0.014 nan 8.250 nan 0.000 0.446 254 I N 1.086 121.596 120.570 -0.100 0.000 2.179 254 I HA -0.297 3.873 4.170 -0.000 0.000 0.242 254 I C 1.879 177.953 176.117 -0.073 0.000 1.088 254 I CA 1.301 62.556 61.300 -0.076 0.000 1.357 254 I CB -0.128 37.809 38.000 -0.105 0.000 1.051 254 I HN 0.169 nan 8.210 nan 0.000 0.409 255 L N 0.282 121.430 121.223 -0.125 0.000 2.478 255 L HA 0.088 4.428 4.340 -0.000 0.000 0.223 255 L C 1.451 178.295 176.870 -0.043 0.000 1.140 255 L CA 0.658 55.438 54.840 -0.099 0.000 0.842 255 L CB -0.557 41.398 42.059 -0.174 0.000 0.953 255 L HN 0.524 nan 8.230 nan 0.000 0.452 256 G N 0.667 109.439 108.800 -0.047 0.000 2.182 256 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.248 256 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.248 256 G C 0.258 175.141 174.900 -0.030 0.000 1.042 256 G CA -0.024 45.063 45.100 -0.021 0.000 0.775 256 G HN 0.317 nan 8.290 nan 0.000 0.501 257 L N 0.276 121.462 121.223 -0.061 0.000 3.154 257 L HA 0.290 4.630 4.340 -0.000 0.000 0.266 257 L C 1.917 178.731 176.870 -0.093 0.000 1.300 257 L CA 0.132 54.935 54.840 -0.062 0.000 1.028 257 L CB 0.630 42.654 42.059 -0.058 0.000 1.412 257 L HN 0.143 nan 8.230 nan 0.000 0.564 258 S N -0.067 115.581 115.700 -0.087 0.000 2.423 258 S HA -0.116 4.354 4.470 -0.000 0.000 0.231 258 S C 1.327 175.888 174.600 -0.065 0.000 1.014 258 S CA 1.081 59.222 58.200 -0.098 0.000 0.965 258 S CB 0.015 63.171 63.200 -0.073 0.000 0.785 258 S HN 0.501 nan 8.310 nan 0.000 0.495 259 D N 1.046 121.423 120.400 -0.039 0.000 2.234 259 D HA 0.039 4.679 4.640 -0.000 0.000 0.205 259 D C 0.596 176.887 176.300 -0.015 0.000 0.962 259 D CA 0.790 54.779 54.000 -0.018 0.000 0.855 259 D CB -0.114 40.681 40.800 -0.008 0.000 0.951 259 D HN 0.227 nan 8.370 nan 0.000 0.500 260 N N 0.695 119.379 118.700 -0.026 0.000 2.750 260 N HA 0.143 4.883 4.740 -0.000 0.000 0.253 260 N C -2.774 172.712 175.510 -0.040 0.000 1.408 260 N CA -1.440 51.601 53.050 -0.015 0.000 0.780 260 N CB 1.197 39.682 38.487 -0.002 0.000 1.191 260 N HN -0.164 nan 8.380 nan 0.000 0.511 261 P HA 0.167 nan 4.420 nan 0.000 0.268 261 P C -0.204 177.045 177.300 -0.086 0.000 1.205 261 P CA -0.026 62.963 63.100 -0.186 0.000 0.771 261 P CB 1.403 32.845 31.700 -0.430 0.000 0.858 262 I N 4.740 125.258 120.570 -0.087 0.000 2.331 262 I HA 0.190 4.360 4.170 -0.000 0.000 0.292 262 I C -2.062 174.129 176.117 0.124 0.000 0.998 262 I CA -2.620 58.720 61.300 0.066 0.000 1.267 262 I CB 1.364 39.457 38.000 0.156 0.000 1.386 262 I HN 0.101 nan 8.210 nan 0.000 0.476 263 P HA 0.096 nan 4.420 nan 0.000 0.270 263 P C -0.949 176.550 177.300 0.331 0.000 1.242 263 P CA 0.055 63.395 63.100 0.399 0.000 0.768 263 P CB 0.494 32.342 31.700 0.247 0.000 0.820 264 V N 4.624 124.745 119.914 0.346 0.000 2.409 264 V HA 0.483 4.603 4.120 -0.000 0.000 0.290 264 V C -0.372 175.837 176.094 0.192 0.000 1.017 264 V CA -0.178 62.266 62.300 0.240 0.000 0.841 264 V CB 1.813 33.738 31.823 0.169 0.000 1.003 264 V HN 0.441 nan 8.190 nan 0.000 0.426 265 D N 2.200 122.683 120.400 0.137 0.000 2.609 265 D HA 0.831 5.471 4.640 -0.000 0.000 0.239 265 D C -0.038 176.304 176.300 0.070 0.000 1.229 265 D CA 0.610 54.647 54.000 0.062 0.000 0.808 265 D CB 2.769 43.552 40.800 -0.028 0.000 1.448 265 D HN 0.793 nan 8.370 nan 0.000 0.433 266 G N 0.095 108.917 108.800 0.037 0.000 2.356 266 G HA2 0.354 4.314 3.960 -0.000 0.000 0.281 266 G HA3 0.354 4.314 3.960 -0.000 0.000 0.281 266 G C -1.828 173.068 174.900 -0.006 0.000 1.246 266 G CA -0.705 44.416 45.100 0.035 0.000 0.889 266 G HN 0.435 nan 8.290 nan 0.000 0.486 267 L N 0.052 121.265 121.223 -0.016 0.000 2.322 267 L HA 0.542 4.882 4.340 -0.000 0.000 0.281 267 L C -0.472 176.352 176.870 -0.076 0.000 1.014 267 L CA -0.796 54.009 54.840 -0.058 0.000 0.815 267 L CB 1.997 44.021 42.059 -0.059 0.000 1.247 267 L HN 0.510 nan 8.230 nan 0.000 0.421 268 C N 3.676 122.919 119.300 -0.095 0.000 2.255 268 C HA 0.589 5.049 4.460 -0.000 0.000 0.326 268 C C 0.312 175.240 174.990 -0.103 0.000 1.258 268 C CA -0.702 58.256 59.018 -0.099 0.000 1.676 268 C CB 0.481 28.172 27.740 -0.081 0.000 2.314 268 C HN 0.463 nan 8.230 nan 0.000 0.509 269 V N 4.293 124.127 119.914 -0.134 0.000 2.495 269 V HA 0.497 4.617 4.120 -0.000 0.000 0.298 269 V C 0.022 176.052 176.094 -0.107 0.000 1.031 269 V CA -0.729 61.498 62.300 -0.120 0.000 0.871 269 V CB 1.750 33.460 31.823 -0.188 0.000 0.988 269 V HN 0.786 nan 8.190 nan 0.000 0.432 270 R N 4.177 124.642 120.500 -0.057 0.000 2.221 270 R HA 0.684 5.024 4.340 -0.000 0.000 0.327 270 R C -0.441 175.816 176.300 -0.071 0.000 1.033 270 R CA -0.193 55.878 56.100 -0.047 0.000 0.887 270 R CB 0.639 30.927 30.300 -0.019 0.000 1.057 270 R HN 0.815 nan 8.270 nan 0.000 0.455 271 I N -0.038 120.514 120.570 -0.029 0.000 3.133 271 I HA 0.630 4.800 4.170 -0.000 0.000 0.311 271 I C 0.680 176.794 176.117 -0.005 0.000 1.072 271 I CA -1.224 60.074 61.300 -0.004 0.000 1.015 271 I CB 2.040 40.093 38.000 0.088 0.000 1.233 271 I HN 0.583 nan 8.210 nan 0.000 0.473 272 G N 1.646 110.452 108.800 0.010 0.000 3.325 272 G HA2 0.511 4.471 3.960 -0.000 0.000 0.242 272 G HA3 0.511 4.471 3.960 -0.000 0.000 0.242 272 G C 0.036 174.973 174.900 0.060 0.000 1.120 272 G CA 0.194 45.305 45.100 0.019 0.000 1.778 272 G HN 0.895 nan 8.290 nan 0.000 0.610 273 A N -0.186 122.685 122.820 0.085 0.000 2.330 273 A HA 0.750 5.070 4.320 -0.000 0.000 0.329 273 A C 0.967 178.620 177.584 0.116 0.000 1.135 273 A CA -0.711 51.388 52.037 0.104 0.000 0.817 273 A CB 1.268 20.344 19.000 0.127 0.000 1.269 273 A HN 0.205 nan 8.150 nan 0.000 0.469 274 L N -0.275 121.009 121.223 0.102 0.000 2.084 274 L HA 0.120 4.460 4.340 -0.000 0.000 0.202 274 L C 2.407 179.334 176.870 0.095 0.000 1.074 274 L CA 1.146 56.044 54.840 0.097 0.000 0.757 274 L CB -0.085 42.018 42.059 0.072 0.000 0.918 274 L HN 0.857 nan 8.230 nan 0.000 0.444 275 R N -2.415 118.133 120.500 0.080 0.000 2.517 275 R HA 0.224 4.564 4.340 -0.000 0.000 0.265 275 R C -0.212 176.109 176.300 0.035 0.000 0.921 275 R CA -0.252 55.877 56.100 0.049 0.000 1.054 275 R CB 1.043 31.361 30.300 0.029 0.000 1.340 275 R HN 0.245 nan 8.270 nan 0.000 0.551 276 C N 1.512 120.866 119.300 0.090 0.000 2.329 276 C HA 0.453 4.913 4.460 -0.000 0.000 0.329 276 C C -0.379 174.751 174.990 0.234 0.000 1.275 276 C CA -0.922 58.160 59.018 0.107 0.000 1.726 276 C CB 0.564 28.366 27.740 0.103 0.000 2.291 276 C HN 0.310 nan 8.230 nan 0.000 0.514 277 H N 1.167 120.278 119.070 0.069 0.000 2.517 277 H HA 0.490 5.046 4.556 -0.000 0.000 0.317 277 H C -0.036 175.301 175.328 0.014 0.000 1.080 277 H CA 0.186 56.271 56.048 0.063 0.000 1.301 277 H CB 1.201 31.000 29.762 0.062 0.000 1.425 277 H HN 0.600 nan 8.280 nan 0.000 0.471 278 S N 2.996 118.757 115.700 0.102 0.000 2.532 278 S HA 0.521 4.991 4.470 -0.000 0.000 0.301 278 S C -0.430 174.029 174.600 -0.235 0.000 1.083 278 S CA -0.884 57.228 58.200 -0.147 0.000 1.025 278 S CB 1.780 64.921 63.200 -0.100 0.000 1.056 278 S HN 0.535 nan 8.310 nan 0.000 0.494 279 Q N 0.794 120.180 119.800 -0.689 0.000 2.359 279 Q HA 0.688 5.028 4.340 -0.000 0.000 0.274 279 Q C -1.315 174.021 176.000 -1.107 0.000 1.074 279 Q CA -0.802 54.592 55.803 -0.681 0.000 0.810 279 Q CB 2.312 30.643 28.738 -0.677 0.000 1.342 279 Q HN 0.734 nan 8.270 nan 0.000 0.427 280 A N 2.807 125.321 122.820 -0.509 0.000 2.271 280 A HA 0.792 5.112 4.320 -0.000 0.000 0.317 280 A C -1.220 176.234 177.584 -0.216 0.000 1.245 280 A CA -0.329 51.600 52.037 -0.179 0.000 0.857 280 A CB 0.210 19.419 19.000 0.348 0.000 1.175 280 A HN 0.625 nan 8.150 nan 0.000 0.512 281 F N 0.521 120.553 119.950 0.137 0.000 2.538 281 F HA 0.616 5.143 4.527 0.000 0.000 0.325 281 F C 0.631 176.508 175.800 0.129 0.000 1.066 281 F CA -0.650 57.422 58.000 0.119 0.000 0.946 281 F CB 2.879 41.923 39.000 0.073 0.000 1.199 281 F HN 0.364 nan 8.300 nan 0.000 0.473 282 T N 3.331 118.107 114.554 0.370 0.000 2.963 282 T HA 0.495 4.845 4.350 -0.000 0.000 0.328 282 T C -0.603 174.181 174.700 0.139 0.000 1.048 282 T CA -0.337 61.918 62.100 0.259 0.000 1.033 282 T CB 0.241 69.303 68.868 0.324 0.000 1.010 282 T HN 0.287 nan 8.240 nan 0.000 0.469 283 I N 3.140 123.695 120.570 -0.025 0.000 2.321 283 I HA 0.431 4.601 4.170 -0.000 0.000 0.291 283 I C 0.149 175.960 176.117 -0.509 0.000 0.998 283 I CA -0.974 60.173 61.300 -0.255 0.000 1.227 283 I CB 1.302 39.160 38.000 -0.238 0.000 1.368 283 I HN 0.182 nan 8.210 nan 0.000 0.466 284 K N 7.788 127.618 120.400 -0.949 0.000 2.267 284 K HA 0.501 4.821 4.320 -0.000 0.000 0.282 284 K C -1.079 175.047 176.600 -0.789 0.000 1.078 284 K CA -0.070 55.484 56.287 -1.222 0.000 0.903 284 K CB 0.368 31.585 32.500 -2.139 0.000 1.111 284 K HN 0.533 nan 8.250 nan 0.000 0.475 285 L N 4.448 125.325 121.223 -0.577 0.000 2.399 285 L HA 0.355 4.695 4.340 -0.000 0.000 0.265 285 L C 1.273 177.942 176.870 -0.334 0.000 1.089 285 L CA -0.590 54.011 54.840 -0.397 0.000 0.802 285 L CB 1.099 42.983 42.059 -0.292 0.000 1.180 285 L HN 0.680 nan 8.230 nan 0.000 0.454 286 K N 0.437 120.689 120.400 -0.246 0.000 2.228 286 K HA 0.058 4.378 4.320 -0.000 0.000 0.202 286 K C -0.054 176.465 176.600 -0.136 0.000 1.051 286 K CA 0.955 57.136 56.287 -0.176 0.000 0.960 286 K CB 0.218 32.636 32.500 -0.136 0.000 0.743 286 K HN 0.441 nan 8.250 nan 0.000 0.458 287 K N 0.603 120.923 120.400 -0.134 0.000 2.395 287 K HA 0.146 4.466 4.320 -0.000 0.000 0.247 287 K C -1.321 175.222 176.600 -0.095 0.000 0.973 287 K CA -0.866 55.363 56.287 -0.097 0.000 0.828 287 K CB 1.743 34.195 32.500 -0.080 0.000 1.272 287 K HN -0.198 nan 8.250 nan 0.000 0.439 288 D N 2.184 122.544 120.400 -0.067 0.000 2.313 288 D HA 0.312 4.951 4.640 -0.000 0.000 0.239 288 D C -1.316 174.957 176.300 -0.046 0.000 1.142 288 D CA -0.303 53.666 54.000 -0.052 0.000 0.847 288 D CB 0.494 41.275 40.800 -0.031 0.000 1.082 288 D HN 0.149 nan 8.370 nan 0.000 0.480 289 L N 5.033 126.227 121.223 -0.048 0.000 2.354 289 L HA 0.554 4.894 4.340 -0.000 0.000 0.264 289 L C -2.208 174.643 176.870 -0.031 0.000 1.008 289 L CA -2.106 52.709 54.840 -0.041 0.000 0.819 289 L CB 2.101 44.129 42.059 -0.053 0.000 1.339 289 L HN 0.303 nan 8.230 nan 0.000 0.420 290 P HA 0.102 nan 4.420 nan 0.000 0.269 290 P C 0.532 177.822 177.300 -0.017 0.000 1.209 290 P CA -0.355 62.735 63.100 -0.017 0.000 0.776 290 P CB 0.600 32.292 31.700 -0.014 0.000 0.876 291 L N 2.706 123.922 121.223 -0.011 0.000 2.131 291 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 291 L C 1.997 178.863 176.870 -0.007 0.000 1.092 291 L CA 1.851 56.686 54.840 -0.008 0.000 0.759 291 L CB -0.956 41.102 42.059 -0.001 0.000 0.903 291 L HN 0.476 nan 8.230 nan 0.000 0.435 292 E N -0.726 119.470 120.200 -0.006 0.000 2.106 292 E HA -0.272 4.078 4.350 -0.000 0.000 0.192 292 E C 2.011 178.606 176.600 -0.008 0.000 0.984 292 E CA 1.240 57.638 56.400 -0.005 0.000 0.806 292 E CB -0.003 29.694 29.700 -0.005 0.000 0.750 292 E HN 0.660 nan 8.360 nan 0.000 0.458 293 E N 0.143 120.335 120.200 -0.013 0.000 2.107 293 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 293 E C 2.172 178.759 176.600 -0.021 0.000 0.982 293 E CA 0.623 57.013 56.400 -0.017 0.000 0.809 293 E CB 0.047 29.734 29.700 -0.021 0.000 0.756 293 E HN 0.327 nan 8.360 nan 0.000 0.459 294 I N 0.885 121.440 120.570 -0.025 0.000 2.315 294 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 294 I C 2.096 178.202 176.117 -0.019 0.000 1.117 294 I CA 1.064 62.345 61.300 -0.033 0.000 1.404 294 I CB -0.163 37.813 38.000 -0.040 0.000 1.071 294 I HN 0.087 nan 8.210 nan 0.000 0.419 295 E N 0.493 120.688 120.200 -0.008 0.000 2.110 295 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 295 E C 2.179 178.782 176.600 0.004 0.000 0.988 295 E CA 1.012 57.414 56.400 0.003 0.000 0.804 295 E CB -0.040 29.665 29.700 0.007 0.000 0.745 295 E HN 0.557 nan 8.360 nan 0.000 0.458 296 Q N -0.062 119.737 119.800 -0.001 0.000 2.187 296 Q HA -0.082 4.258 4.340 -0.000 0.000 0.199 296 Q C 2.115 178.117 176.000 0.004 0.000 0.957 296 Q CA 0.531 56.334 55.803 0.000 0.000 0.857 296 Q CB 0.196 28.932 28.738 -0.004 0.000 0.929 296 Q HN 0.271 nan 8.270 nan 0.000 0.453 297 I N 1.218 121.787 120.570 -0.002 0.000 2.252 297 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 297 I C 2.343 178.472 176.117 0.021 0.000 1.102 297 I CA 1.359 62.660 61.300 0.002 0.000 1.385 297 I CB -0.884 37.103 38.000 -0.021 0.000 1.064 297 I HN 0.295 nan 8.210 nan 0.000 0.414 298 I N -1.328 119.248 120.570 0.010 0.000 2.876 298 I HA 0.048 4.218 4.170 -0.000 0.000 0.264 298 I C 2.429 178.577 176.117 0.053 0.000 1.204 298 I CA 0.943 62.256 61.300 0.022 0.000 1.485 298 I CB -0.624 37.376 38.000 -0.000 0.000 1.103 298 I HN -0.025 nan 8.210 nan 0.000 0.446 299 A N 1.012 123.855 122.820 0.039 0.000 2.021 299 A HA 0.029 4.349 4.320 -0.000 0.000 0.216 299 A C 2.356 179.958 177.584 0.029 0.000 1.163 299 A CA 1.246 53.303 52.037 0.033 0.000 0.676 299 A CB -0.464 18.547 19.000 0.018 0.000 0.818 299 A HN 0.412 nan 8.150 nan 0.000 0.453 300 S N -1.214 114.506 115.700 0.034 0.000 2.522 300 S HA -0.054 4.416 4.470 -0.000 0.000 0.227 300 S C 1.745 176.362 174.600 0.027 0.000 0.986 300 S CA 0.357 58.567 58.200 0.017 0.000 0.929 300 S CB -0.483 62.723 63.200 0.011 0.000 0.769 300 S HN 0.740 nan 8.310 nan 0.000 0.529 301 H N 2.683 121.744 119.070 -0.014 0.000 2.293 301 H HA -0.054 4.502 4.556 -0.000 0.000 0.300 301 H C 0.515 175.842 175.328 -0.002 0.000 1.082 301 H CA 1.825 57.871 56.048 -0.004 0.000 1.308 301 H CB 0.135 29.900 29.762 0.005 0.000 1.375 301 H HN 0.596 nan 8.280 nan 0.000 0.495 302 N N -1.451 117.254 118.700 0.008 0.000 2.732 302 N HA 0.012 4.752 4.740 -0.000 0.000 0.259 302 N C 0.082 175.522 175.510 -0.118 0.000 1.402 302 N CA -0.369 52.658 53.050 -0.038 0.000 0.829 302 N CB 0.707 39.300 38.487 0.177 0.000 1.495 302 N HN 0.157 nan 8.380 nan 0.000 0.511 303 E N -0.998 118.959 120.200 -0.404 0.000 2.427 303 E HA -0.021 4.329 4.350 -0.000 0.000 0.196 303 E C -0.060 176.218 176.600 -0.536 0.000 1.028 303 E CA 0.279 56.337 56.400 -0.569 0.000 0.864 303 E CB -0.113 29.101 29.700 -0.809 0.000 0.813 303 E HN 0.639 nan 8.360 nan 0.000 0.514 304 W N 1.385 122.697 121.300 0.019 0.000 2.704 304 W HA 0.263 4.923 4.660 -0.000 0.000 0.266 304 W C 0.961 177.490 176.519 0.017 0.000 1.266 304 W CA -0.489 56.884 57.345 0.046 0.000 1.377 304 W CB 0.106 29.601 29.460 0.058 0.000 1.082 304 W HN -0.088 nan 8.180 nan 0.000 0.608 305 V N 3.134 123.153 119.914 0.175 0.000 2.655 305 V HA 0.062 4.182 4.120 -0.000 0.000 0.300 305 V C 0.020 176.163 176.094 0.082 0.000 1.044 305 V CA 0.501 62.869 62.300 0.114 0.000 1.095 305 V CB 0.842 32.721 31.823 0.094 0.000 0.952 305 V HN -0.039 nan 8.190 nan 0.000 0.485 306 K N 5.608 126.058 120.400 0.084 0.000 2.579 306 K HA 0.485 4.805 4.320 -0.000 0.000 0.250 306 K C -1.361 175.277 176.600 0.063 0.000 0.952 306 K CA -0.689 55.637 56.287 0.066 0.000 0.857 306 K CB 1.847 34.392 32.500 0.074 0.000 1.123 306 K HN 0.574 nan 8.250 nan 0.000 0.433 307 V N 6.020 125.964 119.914 0.049 0.000 2.439 307 V HA 0.139 4.259 4.120 -0.000 0.000 0.271 307 V C 0.308 176.429 176.094 0.045 0.000 1.040 307 V CA -0.392 61.937 62.300 0.048 0.000 1.002 307 V CB 0.561 32.406 31.823 0.037 0.000 1.000 307 V HN 0.611 nan 8.190 nan 0.000 0.477 308 I N 7.799 128.401 120.570 0.053 0.000 2.315 308 I HA 0.374 4.544 4.170 -0.000 0.000 0.291 308 I C -2.023 174.117 176.117 0.038 0.000 1.006 308 I CA -2.944 58.384 61.300 0.047 0.000 1.265 308 I CB 0.965 38.999 38.000 0.057 0.000 1.387 308 I HN 0.395 nan 8.210 nan 0.000 0.475 309 P HA 0.042 nan 4.420 nan 0.000 0.267 309 P C 0.123 177.433 177.300 0.017 0.000 1.200 309 P CA -0.106 63.006 63.100 0.020 0.000 0.772 309 P CB 0.418 32.126 31.700 0.015 0.000 0.855 310 N N 1.914 120.623 118.700 0.015 0.000 3.127 310 N HA 0.020 4.760 4.740 -0.000 0.000 0.317 310 N C -0.923 174.588 175.510 0.002 0.000 1.242 310 N CA 0.338 53.394 53.050 0.009 0.000 1.203 310 N CB -0.808 37.686 38.487 0.012 0.000 1.462 310 N HN 0.340 nan 8.380 nan 0.000 0.546 311 D N -0.805 119.595 120.400 -0.000 0.000 2.738 311 D HA 0.199 4.838 4.640 -0.000 0.000 0.237 311 D C 0.827 177.121 176.300 -0.010 0.000 1.123 311 D CA -0.707 53.291 54.000 -0.004 0.000 0.856 311 D CB 1.393 42.193 40.800 -0.000 0.000 1.552 311 D HN -0.004 nan 8.370 nan 0.000 0.480 312 K N 1.704 122.095 120.400 -0.014 0.000 1.987 312 K HA -0.231 4.089 4.320 -0.000 0.000 0.216 312 K C 1.459 178.049 176.600 -0.017 0.000 1.051 312 K CA 1.566 57.841 56.287 -0.020 0.000 0.942 312 K CB 0.078 32.566 32.500 -0.020 0.000 0.722 312 K HN 0.574 nan 8.250 nan 0.000 0.444 313 E N -0.096 120.099 120.200 -0.010 0.000 2.110 313 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 313 E C 1.883 178.482 176.600 -0.002 0.000 0.988 313 E CA 1.325 57.722 56.400 -0.006 0.000 0.804 313 E CB 0.017 29.716 29.700 -0.003 0.000 0.745 313 E HN 0.302 nan 8.360 nan 0.000 0.458 314 I N 0.231 120.802 120.570 0.000 0.000 2.500 314 I HA -0.160 4.010 4.170 -0.000 0.000 0.252 314 I C 2.334 178.456 176.117 0.008 0.000 1.142 314 I CA 0.983 62.287 61.300 0.007 0.000 1.451 314 I CB -0.326 37.680 38.000 0.010 0.000 1.093 314 I HN 0.006 nan 8.210 nan 0.000 0.430 315 T N 0.566 115.118 114.554 -0.002 0.000 2.737 315 T HA -0.079 4.271 4.350 -0.000 0.000 0.265 315 T C 1.857 176.548 174.700 -0.015 0.000 1.038 315 T CA 1.172 63.266 62.100 -0.010 0.000 1.144 315 T CB -0.258 68.590 68.868 -0.035 0.000 0.866 315 T HN 0.077 nan 8.240 nan 0.000 0.434 316 L N 0.781 121.992 121.223 -0.020 0.000 2.131 316 L HA 0.070 4.410 4.340 -0.000 0.000 0.210 316 L C 2.487 179.356 176.870 -0.001 0.000 1.092 316 L CA 1.515 56.344 54.840 -0.019 0.000 0.759 316 L CB -0.524 41.523 42.059 -0.019 0.000 0.903 316 L HN 0.115 nan 8.230 nan 0.000 0.435 317 R N -1.056 119.447 120.500 0.006 0.000 2.127 317 R HA -0.038 4.302 4.340 -0.000 0.000 0.217 317 R C 1.686 178.002 176.300 0.027 0.000 1.074 317 R CA 0.797 56.907 56.100 0.016 0.000 0.991 317 R CB 0.309 30.618 30.300 0.015 0.000 0.895 317 R HN 0.302 nan 8.270 nan 0.000 0.450 318 E N -0.038 120.181 120.200 0.030 0.000 2.256 318 E HA -0.024 4.326 4.350 -0.000 0.000 0.198 318 E C 0.308 176.945 176.600 0.062 0.000 0.908 318 E CA 0.150 56.577 56.400 0.046 0.000 0.915 318 E CB 0.128 29.855 29.700 0.045 0.000 0.890 318 E HN 0.088 nan 8.360 nan 0.000 0.484 319 L N 2.842 124.102 121.223 0.061 0.000 2.796 319 L HA 0.159 4.499 4.340 -0.000 0.000 0.235 319 L C -0.362 176.568 176.870 0.101 0.000 1.344 319 L CA 0.259 55.158 54.840 0.098 0.000 1.245 319 L CB -0.623 41.501 42.059 0.107 0.000 1.556 319 L HN 0.006 nan 8.230 nan 0.000 0.423 320 T N -3.200 111.406 114.554 0.087 0.000 2.900 320 T HA 0.481 4.831 4.350 -0.000 0.000 0.303 320 T C -2.322 172.428 174.700 0.084 0.000 1.142 320 T CA -1.587 60.559 62.100 0.077 0.000 1.007 320 T CB 1.771 70.663 68.868 0.040 0.000 1.156 320 T HN -0.180 nan 8.240 nan 0.000 0.490 321 P HA 0.035 nan 4.420 nan 0.000 0.218 321 P C 1.693 179.034 177.300 0.068 0.000 1.149 321 P CA 1.325 64.475 63.100 0.084 0.000 0.817 321 P CB -0.185 31.570 31.700 0.091 0.000 0.785 322 A N -0.103 122.751 122.820 0.057 0.000 1.908 322 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 322 A C 2.258 179.871 177.584 0.047 0.000 1.181 322 A CA 2.255 54.321 52.037 0.047 0.000 0.627 322 A CB -0.990 18.033 19.000 0.038 0.000 0.818 322 A HN 0.096 nan 8.150 nan 0.000 0.445 323 K N -0.187 120.244 120.400 0.052 0.000 2.044 323 K HA -0.032 4.288 4.320 -0.000 0.000 0.204 323 K C 1.738 178.376 176.600 0.063 0.000 1.049 323 K CA 1.688 58.007 56.287 0.054 0.000 0.945 323 K CB -0.491 32.041 32.500 0.055 0.000 0.724 323 K HN 0.433 nan 8.250 nan 0.000 0.440 324 V N -0.017 119.941 119.914 0.073 0.000 3.306 324 V HA 0.110 4.230 4.120 -0.000 0.000 0.264 324 V C -0.031 176.107 176.094 0.074 0.000 1.149 324 V CA 0.436 62.786 62.300 0.084 0.000 1.143 324 V CB -0.748 31.136 31.823 0.101 0.000 0.767 324 V HN 0.191 nan 8.190 nan 0.000 0.476 325 T N 2.524 117.115 114.554 0.062 0.000 2.831 325 T HA 0.400 4.750 4.350 -0.000 0.000 0.291 325 T C 1.254 175.978 174.700 0.041 0.000 0.981 325 T CA 1.212 63.342 62.100 0.050 0.000 1.174 325 T CB 0.099 68.995 68.868 0.046 0.000 0.929 325 T HN 1.369 nan 8.240 nan 0.000 0.532 326 G N 3.017 111.834 108.800 0.029 0.000 2.162 326 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.260 326 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.260 326 G C 0.337 175.251 174.900 0.024 0.000 0.976 326 G CA 0.370 45.481 45.100 0.017 0.000 0.655 326 G HN 1.164 nan 8.290 nan 0.000 0.533 327 T N -2.312 112.271 114.554 0.048 0.000 2.942 327 T HA 0.725 5.075 4.350 -0.000 0.000 0.289 327 T C 1.189 175.951 174.700 0.104 0.000 1.044 327 T CA -0.580 61.566 62.100 0.077 0.000 1.023 327 T CB 1.841 70.770 68.868 0.102 0.000 1.123 327 T HN 0.284 nan 8.240 nan 0.000 0.512 328 L N 0.970 122.291 121.223 0.163 0.000 2.591 328 L HA 0.242 4.582 4.340 -0.000 0.000 0.228 328 L C 1.507 178.680 176.870 0.505 0.000 1.133 328 L CA -0.169 54.830 54.840 0.266 0.000 0.880 328 L CB -0.007 42.214 42.059 0.270 0.000 1.033 328 L HN 0.694 nan 8.230 nan 0.000 0.450 329 S N 0.366 116.276 115.700 0.350 0.000 2.531 329 S HA 0.257 4.727 4.470 -0.000 0.000 0.279 329 S C -0.019 174.736 174.600 0.257 0.000 1.305 329 S CA -0.388 57.996 58.200 0.307 0.000 1.058 329 S CB 0.855 64.176 63.200 0.201 0.000 0.899 329 S HN -0.003 nan 8.310 nan 0.000 0.493 330 V N 8.585 128.635 119.914 0.226 0.000 2.266 330 V HA 0.360 4.480 4.120 -0.000 0.000 0.266 330 V C -2.125 174.042 176.094 0.123 0.000 1.036 330 V CA -1.583 60.808 62.300 0.152 0.000 0.828 330 V CB 0.780 32.654 31.823 0.085 0.000 1.081 330 V HN 0.728 nan 8.190 nan 0.000 0.449 331 P HA 0.290 nan 4.420 nan 0.000 0.279 331 P C -0.733 176.629 177.300 0.103 0.000 1.239 331 P CA -0.028 63.135 63.100 0.104 0.000 0.789 331 P CB 2.667 34.429 31.700 0.102 0.000 0.933 332 V N 2.778 122.754 119.914 0.102 0.000 2.577 332 V HA 0.813 4.933 4.120 -0.000 0.000 0.303 332 V C -0.081 176.082 176.094 0.115 0.000 1.042 332 V CA -0.117 62.252 62.300 0.116 0.000 0.872 332 V CB 1.558 33.452 31.823 0.119 0.000 0.998 332 V HN 0.869 nan 8.190 nan 0.000 0.423 333 G N 4.230 113.116 108.800 0.143 0.000 2.947 333 G HA2 0.574 4.534 3.960 -0.000 0.000 0.293 333 G HA3 0.574 4.534 3.960 -0.000 0.000 0.293 333 G C -0.410 174.568 174.900 0.130 0.000 1.243 333 G CA -0.632 44.537 45.100 0.116 0.000 0.802 333 G HN 0.723 nan 8.290 nan 0.000 0.560 334 R N -1.411 119.140 120.500 0.085 0.000 3.641 334 R HA -0.137 4.203 4.340 -0.000 0.000 0.286 334 R C -0.066 176.282 176.300 0.079 0.000 1.153 334 R CA 0.285 56.426 56.100 0.067 0.000 0.775 334 R CB -2.571 27.771 30.300 0.070 0.000 1.215 334 R HN 0.431 nan 8.270 nan 0.000 0.474 335 L N 1.784 123.049 121.223 0.070 0.000 2.369 335 L HA 0.255 4.595 4.340 -0.000 0.000 0.279 335 L C 1.193 178.088 176.870 0.042 0.000 1.108 335 L CA 0.305 55.181 54.840 0.061 0.000 0.852 335 L CB 0.394 42.483 42.059 0.051 0.000 1.169 335 L HN 0.267 nan 8.230 nan 0.000 0.452 336 R N 2.117 122.643 120.500 0.043 0.000 2.741 336 R HA 0.541 4.881 4.340 -0.000 0.000 0.274 336 R C -1.622 174.700 176.300 0.037 0.000 1.029 336 R CA -1.238 54.882 56.100 0.033 0.000 0.880 336 R CB 1.012 31.330 30.300 0.030 0.000 1.264 336 R HN 0.023 nan 8.270 nan 0.000 0.465 337 K N 1.381 121.800 120.400 0.031 0.000 2.172 337 K HA 0.402 4.722 4.320 -0.000 0.000 0.276 337 K C -0.167 176.461 176.600 0.046 0.000 1.013 337 K CA -0.560 55.751 56.287 0.041 0.000 0.913 337 K CB 1.138 33.657 32.500 0.032 0.000 1.055 337 K HN 0.473 nan 8.250 nan 0.000 0.461 338 L N 1.121 122.385 121.223 0.067 0.000 2.456 338 L HA 0.177 4.517 4.340 -0.000 0.000 0.257 338 L C 1.597 178.467 176.870 -0.001 0.000 1.162 338 L CA -0.203 54.661 54.840 0.041 0.000 0.808 338 L CB 0.676 42.770 42.059 0.059 0.000 1.136 338 L HN 0.742 nan 8.230 nan 0.000 0.466 339 A N 1.252 124.055 122.820 -0.029 0.000 2.125 339 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 339 A C 1.933 179.458 177.584 -0.100 0.000 1.156 339 A CA 1.343 53.352 52.037 -0.047 0.000 0.671 339 A CB -0.486 18.492 19.000 -0.037 0.000 0.794 339 A HN 0.801 nan 8.150 nan 0.000 0.459 340 M N -1.106 118.368 119.600 -0.210 0.000 2.319 340 M HA 0.206 4.686 4.480 -0.000 0.000 0.265 340 M C 1.064 177.178 176.300 -0.310 0.000 1.068 340 M CA 1.335 56.382 55.300 -0.422 0.000 1.118 340 M CB -0.117 31.895 32.600 -0.979 0.000 1.395 340 M HN 0.469 nan 8.290 nan 0.000 0.435 341 G N -1.984 106.773 108.800 -0.072 0.000 2.328 341 G HA2 0.271 4.231 3.960 -0.000 0.000 0.299 341 G HA3 0.271 4.231 3.960 -0.000 0.000 0.299 341 G C -2.796 172.216 174.900 0.186 0.000 1.435 341 G CA -1.042 44.143 45.100 0.141 0.000 0.865 341 G HN -0.168 nan 8.290 nan 0.000 0.601 342 P HA 0.125 nan 4.420 nan 0.000 0.233 342 P C 0.968 178.286 177.300 0.029 0.000 1.167 342 P CA 0.898 64.033 63.100 0.060 0.000 0.770 342 P CB 0.335 32.052 31.700 0.028 0.000 0.837 343 E N -2.080 118.136 120.200 0.027 0.000 2.474 343 E HA 0.025 4.375 4.350 -0.000 0.000 0.195 343 E C -0.323 176.109 176.600 -0.279 0.000 1.039 343 E CA -0.036 56.276 56.400 -0.148 0.000 0.881 343 E CB 0.018 29.579 29.700 -0.232 0.000 0.970 343 E HN 0.374 nan 8.360 nan 0.000 0.486 344 Y N 1.097 121.321 120.300 -0.126 0.000 2.404 344 Y HA 0.273 4.823 4.550 0.000 0.000 0.344 344 Y C -0.185 175.659 175.900 -0.092 0.000 0.970 344 Y CA -0.872 57.144 58.100 -0.140 0.000 1.180 344 Y CB 0.787 39.197 38.460 -0.084 0.000 1.138 344 Y HN -0.020 nan 8.280 nan 0.000 0.510 345 L N 3.790 125.011 121.223 -0.004 0.000 2.307 345 L HA 0.848 5.188 4.340 -0.000 0.000 0.284 345 L C -0.372 176.539 176.870 0.068 0.000 1.023 345 L CA -0.523 54.325 54.840 0.013 0.000 0.810 345 L CB 1.083 43.113 42.059 -0.048 0.000 1.231 345 L HN 0.627 nan 8.230 nan 0.000 0.423 346 A N 4.370 127.246 122.820 0.093 0.000 2.309 346 A HA 0.918 5.238 4.320 -0.000 0.000 0.298 346 A C -0.509 177.166 177.584 0.153 0.000 1.165 346 A CA 0.162 52.279 52.037 0.134 0.000 0.821 346 A CB 0.713 19.779 19.000 0.111 0.000 1.102 346 A HN 1.249 nan 8.150 nan 0.000 0.500 347 A N 1.348 124.302 122.820 0.224 0.000 2.566 347 A HA 0.678 4.998 4.320 -0.000 0.000 0.297 347 A C -1.488 176.246 177.584 0.250 0.000 1.059 347 A CA -0.332 51.859 52.037 0.257 0.000 0.691 347 A CB 0.853 20.042 19.000 0.315 0.000 1.282 347 A HN 1.427 nan 8.150 nan 0.000 0.401 348 F N 1.124 121.093 119.950 0.031 0.000 2.556 348 F HA 0.766 5.293 4.527 0.000 0.000 0.314 348 F C 0.032 175.802 175.800 -0.050 0.000 1.106 348 F CA 0.082 58.024 58.000 -0.098 0.000 0.911 348 F CB 2.359 41.295 39.000 -0.107 0.000 1.190 348 F HN 0.675 nan 8.300 nan 0.000 0.448 349 T N 4.630 118.839 114.554 -0.575 0.000 2.906 349 T HA 0.786 5.136 4.350 -0.000 0.000 0.295 349 T C -1.897 172.609 174.700 -0.323 0.000 1.075 349 T CA -0.493 61.466 62.100 -0.235 0.000 1.005 349 T CB 1.463 70.320 68.868 -0.017 0.000 1.136 349 T HN 0.410 nan 8.240 nan 0.000 0.498 350 V N 2.175 122.055 119.914 -0.056 0.000 2.638 350 V HA 0.888 5.008 4.120 -0.000 0.000 0.306 350 V C 0.388 176.521 176.094 0.065 0.000 1.052 350 V CA -0.586 61.718 62.300 0.007 0.000 0.885 350 V CB 1.629 33.507 31.823 0.092 0.000 0.999 350 V HN 1.151 nan 8.190 nan 0.000 0.424 351 G N 1.410 110.260 108.800 0.082 0.000 2.696 351 G HA2 0.478 4.438 3.960 -0.000 0.000 0.295 351 G HA3 0.478 4.438 3.960 -0.000 0.000 0.295 351 G C -1.721 173.236 174.900 0.095 0.000 1.398 351 G CA -0.480 44.688 45.100 0.114 0.000 0.920 351 G HN 0.591 nan 8.290 nan 0.000 0.492 352 D N 0.784 121.242 120.400 0.096 0.000 2.343 352 D HA 0.026 4.666 4.640 -0.000 0.000 0.255 352 D C 1.097 177.387 176.300 -0.016 0.000 1.187 352 D CA -0.251 53.771 54.000 0.037 0.000 0.875 352 D CB 1.474 42.294 40.800 0.034 0.000 1.136 352 D HN 0.395 nan 8.370 nan 0.000 0.469 353 Q N 3.942 123.669 119.800 -0.122 0.000 2.084 353 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 353 Q C 1.858 177.786 176.000 -0.120 0.000 0.978 353 Q CA 1.160 56.817 55.803 -0.243 0.000 0.844 353 Q CB 0.090 28.522 28.738 -0.511 0.000 0.898 353 Q HN 0.686 nan 8.270 nan 0.000 0.426 354 L N 0.016 121.189 121.223 -0.084 0.000 2.313 354 L HA -0.091 4.249 4.340 -0.000 0.000 0.214 354 L C 2.118 178.935 176.870 -0.088 0.000 1.119 354 L CA 0.248 55.049 54.840 -0.065 0.000 0.809 354 L CB -0.110 41.920 42.059 -0.048 0.000 0.933 354 L HN 0.164 nan 8.230 nan 0.000 0.449 355 L N -2.018 119.139 121.223 -0.111 0.000 2.292 355 L HA -0.013 4.327 4.340 -0.000 0.000 0.196 355 L C 2.072 178.781 176.870 -0.268 0.000 1.246 355 L CA 0.795 55.496 54.840 -0.231 0.000 0.864 355 L CB -0.682 41.214 42.059 -0.272 0.000 1.044 355 L HN 0.120 nan 8.230 nan 0.000 0.504 356 W N 0.246 121.483 121.300 -0.104 0.000 2.465 356 W HA -0.052 4.608 4.660 -0.000 0.000 0.268 356 W C 2.097 178.571 176.519 -0.075 0.000 1.242 356 W CA 0.743 58.017 57.345 -0.118 0.000 1.248 356 W CB -0.266 29.119 29.460 -0.126 0.000 1.118 356 W HN 0.279 nan 8.180 nan 0.000 0.587 357 G N -1.113 107.760 108.800 0.122 0.000 2.985 357 G HA2 0.292 4.252 3.960 -0.000 0.000 0.209 357 G HA3 0.292 4.252 3.960 -0.000 0.000 0.209 357 G C 0.890 175.810 174.900 0.034 0.000 1.165 357 G CA 0.776 45.919 45.100 0.071 0.000 0.776 357 G HN 0.245 nan 8.290 nan 0.000 0.541 358 A N -0.459 122.362 122.820 0.002 0.000 1.687 358 A HA 0.678 4.998 4.320 -0.000 0.000 0.158 358 A C 2.056 179.622 177.584 -0.030 0.000 1.516 358 A CA 1.245 53.279 52.037 -0.005 0.000 1.427 358 A CB -0.845 18.148 19.000 -0.011 0.000 1.263 358 A HN 0.585 nan 8.150 nan 0.000 0.837 359 A N -0.243 122.532 122.820 -0.076 0.000 1.970 359 A HA 0.082 4.402 4.320 -0.000 0.000 0.216 359 A C 1.708 179.188 177.584 -0.173 0.000 1.170 359 A CA 1.629 53.608 52.037 -0.096 0.000 0.645 359 A CB -0.364 18.583 19.000 -0.088 0.000 0.816 359 A HN 0.404 nan 8.150 nan 0.000 0.447 360 E N -0.247 119.766 120.200 -0.311 0.000 2.106 360 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 360 E C -0.508 175.899 176.600 -0.320 0.000 0.984 360 E CA 1.388 57.476 56.400 -0.519 0.000 0.806 360 E CB -1.349 27.614 29.700 -1.228 0.000 0.750 360 E HN 0.446 nan 8.360 nan 0.000 0.458 361 P HA -0.045 nan 4.420 nan 0.000 0.225 361 P C 1.592 178.887 177.300 -0.010 0.000 1.156 361 P CA 0.624 63.740 63.100 0.026 0.000 0.787 361 P CB 0.199 31.961 31.700 0.103 0.000 0.802 362 V N -0.238 119.657 119.914 -0.032 0.000 2.407 362 V HA -0.145 3.975 4.120 -0.000 0.000 0.245 362 V C 2.606 178.669 176.094 -0.053 0.000 1.041 362 V CA 1.451 63.738 62.300 -0.021 0.000 1.040 362 V CB -0.829 30.992 31.823 -0.003 0.000 0.671 362 V HN 0.059 nan 8.190 nan 0.000 0.455 363 R N 0.300 120.747 120.500 -0.090 0.000 2.073 363 R HA -0.128 4.212 4.340 -0.000 0.000 0.234 363 R C 2.528 178.761 176.300 -0.112 0.000 1.134 363 R CA 1.573 57.608 56.100 -0.110 0.000 0.952 363 R CB -0.147 30.058 30.300 -0.159 0.000 0.850 363 R HN 0.420 nan 8.270 nan 0.000 0.433 364 R N -0.052 120.381 120.500 -0.112 0.000 2.115 364 R HA -0.109 4.231 4.340 -0.000 0.000 0.230 364 R C 2.233 178.480 176.300 -0.088 0.000 1.111 364 R CA 1.055 57.108 56.100 -0.079 0.000 0.976 364 R CB -0.327 29.952 30.300 -0.036 0.000 0.870 364 R HN 0.223 nan 8.270 nan 0.000 0.445 365 I N 0.849 121.357 120.570 -0.103 0.000 2.439 365 I HA -0.155 4.015 4.170 -0.000 0.000 0.251 365 I C 1.898 177.885 176.117 -0.217 0.000 1.139 365 I CA 1.015 62.208 61.300 -0.178 0.000 1.438 365 I CB -0.047 37.847 38.000 -0.177 0.000 1.085 365 I HN 0.115 nan 8.210 nan 0.000 0.427 366 L N 0.178 121.306 121.223 -0.159 0.000 2.056 366 L HA -0.240 4.100 4.340 -0.000 0.000 0.207 366 L C 2.519 179.295 176.870 -0.157 0.000 1.078 366 L CA 1.649 56.393 54.840 -0.160 0.000 0.749 366 L CB -0.451 41.543 42.059 -0.109 0.000 0.901 366 L HN 0.253 nan 8.230 nan 0.000 0.433 367 K N -0.473 119.848 120.400 -0.131 0.000 2.063 367 K HA -0.247 4.073 4.320 -0.000 0.000 0.208 367 K C 2.045 178.573 176.600 -0.120 0.000 1.048 367 K CA 1.620 57.841 56.287 -0.110 0.000 0.928 367 K CB 0.019 32.469 32.500 -0.084 0.000 0.713 367 K HN 0.442 nan 8.250 nan 0.000 0.442 368 Q N 0.117 119.828 119.800 -0.148 0.000 2.123 368 Q HA -0.085 4.255 4.340 -0.000 0.000 0.199 368 Q C 2.161 178.028 176.000 -0.221 0.000 0.966 368 Q CA 1.138 56.840 55.803 -0.168 0.000 0.845 368 Q CB 0.048 28.669 28.738 -0.195 0.000 0.907 368 Q HN 0.352 nan 8.270 nan 0.000 0.439 369 L N 0.345 121.392 121.223 -0.294 0.000 2.217 369 L HA -0.090 4.250 4.340 -0.000 0.000 0.211 369 L C 2.147 178.863 176.870 -0.256 0.000 1.107 369 L CA 0.630 55.242 54.840 -0.379 0.000 0.783 369 L CB -0.219 41.536 42.059 -0.507 0.000 0.919 369 L HN 0.185 nan 8.230 nan 0.000 0.442 370 V N -3.805 116.003 119.914 -0.177 0.000 3.647 370 V HA 0.382 4.502 4.120 -0.000 0.000 0.279 370 V C 1.264 177.306 176.094 -0.086 0.000 1.314 370 V CA -0.027 62.205 62.300 -0.115 0.000 1.125 370 V CB -0.773 30.998 31.823 -0.087 0.000 0.907 370 V HN 0.156 nan 8.190 nan 0.000 0.434 371 A N 0.000 122.762 122.820 -0.096 0.000 2.254 371 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 371 A CA 0.000 51.995 52.037 -0.069 0.000 0.836 371 A CB 0.000 18.957 19.000 -0.072 0.000 0.831 371 A HN 0.000 nan 8.150 nan 0.000 0.486