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_A 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 0.000 176.310 176.300 0.017 0.000 1.140 1 M CA 0.000 55.308 55.300 0.014 0.000 0.988 1 M CB 0.000 32.613 32.600 0.021 0.000 1.302 2 K N 2.080 122.486 120.400 0.010 0.000 2.326 2 K HA 0.301 4.622 4.320 0.001 0.000 0.275 2 K C -0.698 175.915 176.600 0.022 0.000 1.018 2 K CA -0.149 56.145 56.287 0.012 0.000 0.962 2 K CB 0.304 32.797 32.500 -0.011 0.000 0.953 2 K HN 0.517 nan 8.250 nan 0.000 0.475 3 N N 2.265 120.986 118.700 0.035 0.000 2.437 3 N HA 0.132 4.872 4.740 0.001 0.000 0.243 3 N C -0.671 174.852 175.510 0.021 0.000 1.041 3 N CA -0.232 52.843 53.050 0.040 0.000 0.940 3 N CB 1.053 39.578 38.487 0.063 0.000 1.133 3 N HN 0.117 nan 8.380 nan 0.000 0.506 4 V N 0.693 120.586 119.914 -0.034 0.000 2.417 4 V HA 0.574 4.695 4.120 0.001 0.000 0.291 4 V C 0.894 176.799 176.094 -0.314 0.000 1.024 4 V CA -1.027 61.153 62.300 -0.201 0.000 0.861 4 V CB 1.644 33.274 31.823 -0.321 0.000 0.985 4 V HN 0.601 nan 8.190 nan 0.000 0.436 5 G N 3.180 111.791 108.800 -0.315 0.000 2.348 5 G HA2 0.642 4.603 3.960 0.001 0.000 0.312 5 G HA3 0.642 4.603 3.960 0.001 0.000 0.312 5 G C -1.172 173.436 174.900 -0.486 0.000 1.126 5 G CA -0.253 44.764 45.100 -0.139 0.000 0.865 5 G HN 0.453 nan 8.290 nan 0.000 0.474 6 F N 1.682 121.638 119.950 0.010 0.000 2.427 6 F HA 0.495 5.023 4.527 0.001 0.000 0.348 6 F C -0.109 175.833 175.800 0.237 0.000 1.125 6 F CA -0.669 57.337 58.000 0.010 0.000 0.989 6 F CB 2.010 40.925 39.000 -0.143 0.000 1.165 6 F HN 0.132 nan 8.300 nan 0.000 0.442 7 I N 1.836 122.546 120.570 0.233 0.000 2.530 7 I HA 0.615 4.786 4.170 0.001 0.000 0.297 7 I C 0.703 176.875 176.117 0.091 0.000 1.011 7 I CA -0.651 60.713 61.300 0.105 0.000 1.107 7 I CB 1.740 39.529 38.000 -0.351 0.000 1.285 7 I HN 0.737 nan 8.210 nan 0.000 0.436 8 G N 4.472 113.295 108.800 0.039 0.000 2.160 8 G HA2 -0.225 3.736 3.960 0.001 0.000 0.251 8 G HA3 -0.225 3.736 3.960 0.001 0.000 0.251 8 G C 0.658 175.577 174.900 0.032 0.000 1.008 8 G CA 0.560 45.629 45.100 -0.052 0.000 0.724 8 G HN 0.917 nan 8.290 nan 0.000 0.514 9 W N -0.338 121.011 121.300 0.081 0.000 2.699 9 W HA 0.168 4.829 4.660 0.002 0.000 0.249 9 W C 1.319 177.859 176.519 0.036 0.000 1.280 9 W CA 0.704 58.115 57.345 0.111 0.000 1.345 9 W CB -0.517 29.092 29.460 0.249 0.000 1.128 9 W HN 0.368 nan 8.180 nan 0.000 0.642 10 R N 0.548 120.669 120.500 -0.631 0.000 2.290 10 R HA 0.159 4.499 4.340 0.001 0.000 0.197 10 R C 1.618 177.749 176.300 -0.283 0.000 0.913 10 R CA 0.482 56.224 56.100 -0.596 0.000 1.040 10 R CB 0.138 29.933 30.300 -0.841 0.000 0.992 10 R HN 0.054 nan 8.270 nan 0.000 0.500 11 G N 0.390 109.076 108.800 -0.190 0.000 2.588 11 G HA2 0.001 3.962 3.960 0.001 0.000 0.278 11 G HA3 0.001 3.962 3.960 0.001 0.000 0.278 11 G C 0.672 175.533 174.900 -0.066 0.000 1.307 11 G CA -0.518 44.515 45.100 -0.111 0.000 1.016 11 G HN 0.024 nan 8.290 nan 0.000 0.503 12 M N -0.665 118.909 119.600 -0.043 0.000 2.065 12 M HA -0.130 4.351 4.480 0.001 0.000 0.259 12 M C 2.446 178.738 176.300 -0.013 0.000 1.069 12 M CA 1.689 56.974 55.300 -0.026 0.000 1.110 12 M CB -0.301 32.288 32.600 -0.017 0.000 1.328 12 M HN 0.244 nan 8.290 nan 0.000 0.405 13 V N 0.245 120.157 119.914 -0.004 0.000 2.343 13 V HA -0.185 3.936 4.120 0.001 0.000 0.247 13 V C 2.582 178.688 176.094 0.021 0.000 1.051 13 V CA 2.033 64.336 62.300 0.004 0.000 1.036 13 V CB -1.739 30.092 31.823 0.013 0.000 0.654 13 V HN 0.748 nan 8.190 nan 0.000 0.451 14 G N -0.503 108.318 108.800 0.034 0.000 2.418 14 G HA2 -0.227 3.734 3.960 0.001 0.000 0.217 14 G HA3 -0.227 3.734 3.960 0.001 0.000 0.217 14 G C 1.823 176.783 174.900 0.101 0.000 1.158 14 G CA 1.181 46.335 45.100 0.090 0.000 0.771 14 G HN 0.522 nan 8.290 nan 0.000 0.545 15 S N -0.076 115.650 115.700 0.043 0.000 2.383 15 S HA -0.075 4.396 4.470 0.001 0.000 0.227 15 S C 2.467 177.088 174.600 0.035 0.000 1.026 15 S CA 1.009 59.232 58.200 0.039 0.000 0.981 15 S CB -0.112 63.083 63.200 -0.009 0.000 0.818 15 S HN 0.189 nan 8.310 nan 0.000 0.472 16 V N 1.778 121.700 119.914 0.013 0.000 2.358 16 V HA -0.098 4.022 4.120 0.001 0.000 0.246 16 V C 2.214 178.303 176.094 -0.009 0.000 1.047 16 V CA 1.356 63.650 62.300 -0.009 0.000 1.035 16 V CB -0.608 31.196 31.823 -0.031 0.000 0.658 16 V HN 0.375 nan 8.190 nan 0.000 0.452 17 L N -0.548 120.683 121.223 0.012 0.000 2.046 17 L HA -0.145 4.196 4.340 0.001 0.000 0.208 17 L C 2.327 179.217 176.870 0.034 0.000 1.077 17 L CA 2.088 56.935 54.840 0.012 0.000 0.747 17 L CB -0.544 41.549 42.059 0.057 0.000 0.896 17 L HN 0.155 nan 8.230 nan 0.000 0.432 18 M N -0.660 119.003 119.600 0.104 0.000 2.117 18 M HA -0.182 4.299 4.480 0.001 0.000 0.262 18 M C 1.937 178.323 176.300 0.144 0.000 1.065 18 M CA 1.477 56.883 55.300 0.176 0.000 1.114 18 M CB -1.386 31.347 32.600 0.222 0.000 1.361 18 M HN 0.281 nan 8.290 nan 0.000 0.408 19 D N -0.326 120.119 120.400 0.074 0.000 2.117 19 D HA -0.093 4.548 4.640 0.001 0.000 0.198 19 D C 2.239 178.554 176.300 0.024 0.000 0.982 19 D CA 0.861 54.888 54.000 0.045 0.000 0.828 19 D CB -0.150 40.660 40.800 0.017 0.000 0.967 19 D HN 0.150 nan 8.370 nan 0.000 0.464 20 R N 0.042 120.534 120.500 -0.012 0.000 2.075 20 R HA 0.057 4.398 4.340 0.001 0.000 0.232 20 R C 2.343 178.605 176.300 -0.063 0.000 1.126 20 R CA 0.572 56.639 56.100 -0.054 0.000 0.963 20 R CB -0.580 29.656 30.300 -0.106 0.000 0.858 20 R HN 0.331 nan 8.270 nan 0.000 0.435 21 M N 0.054 119.603 119.600 -0.085 0.000 2.175 21 M HA -0.108 4.373 4.480 0.001 0.000 0.264 21 M C 2.151 178.406 176.300 -0.075 0.000 1.063 21 M CA 1.436 56.609 55.300 -0.212 0.000 1.119 21 M CB -0.110 32.184 32.600 -0.510 0.000 1.377 21 M HN 0.006 nan 8.290 nan 0.000 0.415 22 S N 0.075 115.857 115.700 0.136 0.000 2.371 22 S HA -0.139 4.332 4.470 0.001 0.000 0.224 22 S C 1.796 176.450 174.600 0.091 0.000 1.029 22 S CA 1.048 59.374 58.200 0.210 0.000 0.978 22 S CB -0.223 63.083 63.200 0.177 0.000 0.833 22 S HN 0.493 nan 8.310 nan 0.000 0.466 23 Q N 0.404 120.230 119.800 0.043 0.000 2.170 23 Q HA -0.063 4.278 4.340 0.001 0.000 0.203 23 Q C 1.270 177.279 176.000 0.015 0.000 0.976 23 Q CA 0.910 56.726 55.803 0.022 0.000 0.858 23 Q CB 0.027 28.770 28.738 0.007 0.000 0.907 23 Q HN 0.359 nan 8.270 nan 0.000 0.433 24 E N 0.017 120.215 120.200 -0.004 0.000 2.474 24 E HA 0.040 4.391 4.350 0.001 0.000 0.195 24 E C -0.468 176.125 176.600 -0.010 0.000 1.039 24 E CA -0.024 56.369 56.400 -0.011 0.000 0.881 24 E CB 0.066 29.745 29.700 -0.035 0.000 0.970 24 E HN 0.343 nan 8.360 nan 0.000 0.486 25 N N 1.750 120.458 118.700 0.014 0.000 2.740 25 N HA -0.167 4.574 4.740 0.001 0.000 0.248 25 N C -0.045 175.465 175.510 0.001 0.000 1.062 25 N CA 0.668 53.744 53.050 0.043 0.000 0.704 25 N CB -0.587 37.924 38.487 0.040 0.000 0.968 25 N HN 0.091 nan 8.380 nan 0.000 0.547 26 D N -0.592 119.744 120.400 -0.107 0.000 2.269 26 D HA -0.054 4.586 4.640 0.001 0.000 0.208 26 D C 1.274 177.444 176.300 -0.215 0.000 0.963 26 D CA 0.873 54.747 54.000 -0.209 0.000 0.864 26 D CB -0.103 40.492 40.800 -0.342 0.000 0.936 26 D HN 0.515 nan 8.370 nan 0.000 0.505 27 F N 1.186 121.130 119.950 -0.009 0.000 2.604 27 F HA 0.025 4.552 4.527 0.001 0.000 0.298 27 F C 2.192 177.993 175.800 0.001 0.000 1.131 27 F CA 0.476 58.473 58.000 -0.006 0.000 1.457 27 F CB -0.024 38.963 39.000 -0.021 0.000 1.095 27 F HN -0.068 nan 8.300 nan 0.000 0.574 28 E N 0.188 120.475 120.200 0.145 0.000 2.208 28 E HA -0.146 4.204 4.350 0.001 0.000 0.193 28 E C 1.050 177.683 176.600 0.054 0.000 0.988 28 E CA 1.027 57.479 56.400 0.086 0.000 0.828 28 E CB -0.276 29.457 29.700 0.056 0.000 0.763 28 E HN 0.565 nan 8.360 nan 0.000 0.478 29 N N 0.069 118.789 118.700 0.034 0.000 2.280 29 N HA 0.098 4.839 4.740 0.001 0.000 0.192 29 N C -0.362 175.160 175.510 0.019 0.000 1.109 29 N CA -0.013 53.045 53.050 0.013 0.000 0.855 29 N CB 0.355 38.834 38.487 -0.013 0.000 0.974 29 N HN -0.002 nan 8.380 nan 0.000 0.482 30 L N -3.823 117.431 121.223 0.052 0.000 2.397 30 L HA 0.497 4.838 4.340 0.001 0.000 0.251 30 L C -0.949 175.982 176.870 0.101 0.000 1.064 30 L CA -1.103 53.776 54.840 0.065 0.000 0.859 30 L CB 1.289 43.388 42.059 0.066 0.000 1.468 30 L HN -0.192 nan 8.230 nan 0.000 0.411 31 N N 1.378 120.129 118.700 0.085 0.000 2.621 31 N HA 0.396 5.137 4.740 0.001 0.000 0.237 31 N C -2.737 172.822 175.510 0.083 0.000 0.997 31 N CA -1.509 51.586 53.050 0.075 0.000 0.918 31 N CB 1.612 40.125 38.487 0.044 0.000 1.122 31 N HN 0.574 nan 8.380 nan 0.000 0.510 32 P HA 0.140 nan 4.420 nan 0.000 0.286 32 P C -0.784 176.392 177.300 -0.207 0.000 1.269 32 P CA -0.293 62.811 63.100 0.006 0.000 0.787 32 P CB 1.641 33.312 31.700 -0.049 0.000 0.920 33 V N 5.245 125.007 119.914 -0.253 0.000 2.407 33 V HA 0.329 4.450 4.120 0.001 0.000 0.291 33 V C -0.094 175.766 176.094 -0.389 0.000 1.018 33 V CA -0.442 61.703 62.300 -0.258 0.000 0.842 33 V CB 0.610 32.361 31.823 -0.120 0.000 0.996 33 V HN 0.350 nan 8.190 nan 0.000 0.426 34 F N 4.549 124.342 119.950 -0.262 0.000 2.394 34 F HA 0.672 5.199 4.527 0.001 0.000 0.340 34 F C 0.001 175.624 175.800 -0.296 0.000 1.105 34 F CA -0.303 57.512 58.000 -0.308 0.000 1.124 34 F CB 1.027 39.587 39.000 -0.734 0.000 1.145 34 F HN 0.286 nan 8.300 nan 0.000 0.505 35 F N 0.455 120.574 119.950 0.283 0.000 2.523 35 F HA 0.662 5.190 4.527 0.001 0.000 0.329 35 F C 0.343 176.344 175.800 0.334 0.000 1.061 35 F CA -0.683 57.458 58.000 0.236 0.000 0.967 35 F CB 2.202 41.258 39.000 0.094 0.000 1.218 35 F HN 0.308 nan 8.300 nan 0.000 0.480 36 T N -1.211 113.557 114.554 0.357 0.000 2.883 36 T HA 0.366 4.717 4.350 0.001 0.000 0.301 36 T C 0.330 175.096 174.700 0.110 0.000 1.158 36 T CA -0.104 62.119 62.100 0.206 0.000 1.007 36 T CB 1.396 70.373 68.868 0.182 0.000 1.186 36 T HN 0.765 nan 8.240 nan 0.000 0.499 37 T N -0.462 114.129 114.554 0.062 0.000 3.040 37 T HA 0.298 4.649 4.350 0.001 0.000 0.250 37 T C 1.049 175.865 174.700 0.195 0.000 1.058 37 T CA 0.076 62.256 62.100 0.133 0.000 0.988 37 T CB 0.120 69.070 68.868 0.136 0.000 0.993 37 T HN 0.442 nan 8.240 nan 0.000 0.519 38 S N 0.764 116.536 115.700 0.120 0.000 2.603 38 S HA 0.383 4.854 4.470 0.001 0.000 0.268 38 S C -0.115 174.548 174.600 0.106 0.000 1.317 38 S CA -0.601 57.657 58.200 0.097 0.000 1.012 38 S CB 0.793 64.026 63.200 0.053 0.000 0.926 38 S HN 0.573 nan 8.310 nan 0.000 0.539 56 K N 0.067 120.364 120.400 -0.173 0.000 2.090 56 K HA 0.670 4.991 4.320 0.001 0.000 0.250 56 K C -0.063 176.608 176.600 0.118 0.000 1.004 56 K CA -0.688 55.542 56.287 -0.095 0.000 0.919 56 K CB 1.357 33.705 32.500 -0.253 0.000 1.045 56 K HN 0.478 nan 8.250 nan 0.000 0.471 57 S N 0.370 116.216 115.700 0.243 0.000 2.548 57 S HA 0.190 4.661 4.470 0.001 0.000 0.277 57 S C 0.956 175.797 174.600 0.401 0.000 1.315 57 S CA -0.398 57.982 58.200 0.299 0.000 1.050 57 S CB 0.875 64.233 63.200 0.263 0.000 0.918 57 S HN 0.645 nan 8.310 nan 0.000 0.497 58 A N 4.389 127.315 122.820 0.178 0.000 2.121 58 A HA 0.120 4.441 4.320 0.001 0.000 0.218 58 A C 0.967 178.441 177.584 -0.183 0.000 1.154 58 A CA 1.007 52.989 52.037 -0.092 0.000 0.679 58 A CB -0.478 18.300 19.000 -0.370 0.000 0.795 58 A HN 0.826 nan 8.150 nan 0.000 0.458 59 F N -0.504 119.580 119.950 0.223 0.000 2.695 59 F HA 0.200 4.727 4.527 0.001 0.000 0.303 59 F C 0.479 176.322 175.800 0.072 0.000 1.091 59 F CA -0.970 57.106 58.000 0.126 0.000 1.300 59 F CB 0.261 39.329 39.000 0.113 0.000 1.071 59 F HN 0.040 nan 8.300 nan 0.000 0.578 60 D N 1.831 122.368 120.400 0.228 0.000 2.435 60 D HA 0.075 4.716 4.640 0.001 0.000 0.230 60 D C 1.540 177.892 176.300 0.086 0.000 1.215 60 D CA 0.180 54.281 54.000 0.168 0.000 0.947 60 D CB 0.325 41.247 40.800 0.203 0.000 1.048 60 D HN 0.001 nan 8.370 nan 0.000 0.512 61 I N 2.549 123.143 120.570 0.040 0.000 2.335 61 I HA -0.202 3.968 4.170 0.001 0.000 0.251 61 I C 1.886 177.979 176.117 -0.041 0.000 1.129 61 I CA 0.919 62.195 61.300 -0.039 0.000 1.402 61 I CB -0.585 37.388 38.000 -0.046 0.000 1.069 61 I HN 0.412 nan 8.210 nan 0.000 0.424 62 E N 0.751 120.960 120.200 0.015 0.000 2.152 62 E HA -0.155 4.195 4.350 0.001 0.000 0.192 62 E C 1.988 178.622 176.600 0.057 0.000 0.983 62 E CA 0.710 57.128 56.400 0.030 0.000 0.818 62 E CB -0.094 29.633 29.700 0.044 0.000 0.758 62 E HN 0.499 nan 8.360 nan 0.000 0.467 63 E N 0.509 120.770 120.200 0.102 0.000 2.158 63 E HA -0.005 4.346 4.350 0.001 0.000 0.191 63 E C 2.317 179.036 176.600 0.197 0.000 0.982 63 E CA 0.232 56.742 56.400 0.184 0.000 0.823 63 E CB -0.027 29.853 29.700 0.299 0.000 0.766 63 E HN 0.270 nan 8.360 nan 0.000 0.468 64 L N 0.691 121.930 121.223 0.026 0.000 2.156 64 L HA -0.064 4.277 4.340 0.001 0.000 0.208 64 L C 2.566 179.308 176.870 -0.214 0.000 1.095 64 L CA 0.861 55.589 54.840 -0.187 0.000 0.770 64 L CB -0.214 41.617 42.059 -0.381 0.000 0.914 64 L HN -0.002 nan 8.230 nan 0.000 0.439 65 K N 0.816 121.117 120.400 -0.166 0.000 2.211 65 K HA -0.165 4.156 4.320 0.001 0.000 0.203 65 K C 1.751 178.465 176.600 0.189 0.000 1.050 65 K CA 1.125 57.365 56.287 -0.079 0.000 0.945 65 K CB 0.151 32.648 32.500 -0.006 0.000 0.732 65 K HN 0.208 nan 8.250 nan 0.000 0.451 66 K N 0.346 120.833 120.400 0.145 0.000 2.555 66 K HA 0.037 4.357 4.320 0.001 0.000 0.193 66 K C 0.226 176.944 176.600 0.197 0.000 1.032 66 K CA 0.276 56.660 56.287 0.162 0.000 1.004 66 K CB 0.071 32.645 32.500 0.124 0.000 0.804 66 K HN 0.090 nan 8.250 nan 0.000 0.496 67 L N 0.215 121.597 121.223 0.264 0.000 2.352 67 L HA 0.155 4.496 4.340 0.001 0.000 0.269 67 L C 0.823 177.929 176.870 0.392 0.000 1.034 67 L CA -0.679 54.328 54.840 0.277 0.000 0.806 67 L CB 1.075 43.271 42.059 0.228 0.000 1.244 67 L HN -0.056 nan 8.230 nan 0.000 0.447 68 D N 0.783 121.328 120.400 0.241 0.000 2.197 68 D HA 0.220 4.860 4.640 0.001 0.000 0.212 68 D C 0.267 176.705 176.300 0.231 0.000 0.963 68 D CA 1.354 55.461 54.000 0.178 0.000 0.864 68 D CB 0.691 41.551 40.800 0.101 0.000 1.009 68 D HN 0.234 nan 8.370 nan 0.000 0.479 69 I N 0.561 121.257 120.570 0.208 0.000 2.647 69 I HA 0.333 4.504 4.170 0.001 0.000 0.295 69 I C -0.716 175.457 176.117 0.093 0.000 1.078 69 I CA -0.635 60.782 61.300 0.195 0.000 1.048 69 I CB 3.142 41.157 38.000 0.025 0.000 1.239 69 I HN -0.287 nan 8.210 nan 0.000 0.421 70 I N 5.519 126.142 120.570 0.090 0.000 2.439 70 I HA 0.372 4.543 4.170 0.001 0.000 0.285 70 I C -0.994 174.868 176.117 -0.424 0.000 1.021 70 I CA -0.778 60.388 61.300 -0.224 0.000 1.091 70 I CB 1.937 39.782 38.000 -0.258 0.000 1.242 70 I HN 0.143 nan 8.210 nan 0.000 0.439 71 V N 4.940 124.554 119.914 -0.499 0.000 2.328 71 V HA 0.397 4.518 4.120 0.001 0.000 0.278 71 V C 0.105 176.022 176.094 -0.295 0.000 1.021 71 V CA -0.362 61.711 62.300 -0.380 0.000 0.838 71 V CB 1.476 33.101 31.823 -0.330 0.000 0.999 71 V HN 0.749 nan 8.190 nan 0.000 0.447 72 T N 3.805 118.169 114.554 -0.317 0.000 2.841 72 T HA 0.356 4.707 4.350 0.001 0.000 0.283 72 T C 0.119 174.781 174.700 -0.064 0.000 1.000 72 T CA -0.258 61.718 62.100 -0.207 0.000 0.977 72 T CB 1.089 69.783 68.868 -0.290 0.000 0.979 72 T HN 0.698 nan 8.240 nan 0.000 0.446 73 C N 3.838 123.127 119.300 -0.018 0.000 3.386 73 C HA 0.276 4.736 4.460 0.001 0.000 0.279 73 C C 1.977 176.962 174.990 -0.008 0.000 1.508 73 C CA -0.455 58.573 59.018 0.016 0.000 1.801 73 C CB -0.566 27.203 27.740 0.049 0.000 2.798 73 C HN 0.974 nan 8.230 nan 0.000 0.605 74 Q N 1.936 121.697 119.800 -0.065 0.000 2.119 74 Q HA 0.293 4.633 4.340 0.001 0.000 0.201 74 Q C 1.029 177.043 176.000 0.022 0.000 0.972 74 Q CA 1.889 57.630 55.803 -0.103 0.000 0.847 74 Q CB 0.004 28.506 28.738 -0.393 0.000 0.903 74 Q HN 0.686 nan 8.270 nan 0.000 0.433 75 G N -3.450 105.410 108.800 0.101 0.000 2.357 75 G HA2 0.139 4.100 3.960 0.001 0.000 0.643 75 G HA3 0.139 4.100 3.960 0.001 0.000 0.643 75 G C 0.363 175.385 174.900 0.203 0.000 1.358 75 G CA -0.324 44.858 45.100 0.136 0.000 0.986 75 G HN 0.260 nan 8.290 nan 0.000 0.620 76 G N -0.852 108.042 108.800 0.156 0.000 2.422 76 G HA2 -0.019 3.941 3.960 0.001 0.000 0.218 76 G HA3 -0.019 3.941 3.960 0.001 0.000 0.218 76 G C 1.139 176.126 174.900 0.146 0.000 1.140 76 G CA 1.814 47.000 45.100 0.143 0.000 0.775 76 G HN 0.694 nan 8.290 nan 0.000 0.545 77 D N -0.543 119.951 120.400 0.157 0.000 2.144 77 D HA -0.112 4.529 4.640 0.001 0.000 0.200 77 D C 1.888 178.309 176.300 0.202 0.000 0.978 77 D CA 0.817 54.907 54.000 0.149 0.000 0.833 77 D CB -0.052 40.832 40.800 0.140 0.000 0.961 77 D HN 0.434 nan 8.370 nan 0.000 0.470 78 Y N 2.115 122.507 120.300 0.153 0.000 2.184 78 Y HA -0.191 4.359 4.550 0.001 0.000 0.290 78 Y C 2.411 178.440 175.900 0.214 0.000 1.129 78 Y CA 1.660 59.882 58.100 0.202 0.000 1.144 78 Y CB -0.491 38.063 38.460 0.156 0.000 0.995 78 Y HN -0.182 nan 8.280 nan 0.000 0.513 79 T N 1.165 115.873 114.554 0.257 0.000 2.652 79 T HA -0.210 4.141 4.350 0.001 0.000 0.267 79 T C 1.549 176.248 174.700 -0.000 0.000 1.039 79 T CA 1.722 63.940 62.100 0.197 0.000 1.153 79 T CB -0.452 68.586 68.868 0.283 0.000 0.863 79 T HN 0.381 nan 8.240 nan 0.000 0.428 80 N N 0.821 119.534 118.700 0.022 0.000 2.430 80 N HA -0.080 4.661 4.740 0.001 0.000 0.186 80 N C 1.740 177.238 175.510 -0.020 0.000 1.032 80 N CA 0.723 53.774 53.050 0.000 0.000 0.893 80 N CB -0.105 38.392 38.487 0.017 0.000 0.957 80 N HN 0.643 nan 8.380 nan 0.000 0.442 81 E N 0.051 120.226 120.200 -0.041 0.000 2.094 81 E HA 0.021 4.371 4.350 0.001 0.000 0.193 81 E C 1.599 178.131 176.600 -0.113 0.000 0.950 81 E CA 0.268 56.635 56.400 -0.055 0.000 0.842 81 E CB 0.255 29.952 29.700 -0.005 0.000 0.816 81 E HN -0.064 nan 8.360 nan 0.000 0.465 82 V N 0.920 120.698 119.914 -0.226 0.000 2.407 82 V HA -0.182 3.939 4.120 0.001 0.000 0.245 82 V C 2.139 178.072 176.094 -0.268 0.000 1.041 82 V CA 1.663 63.800 62.300 -0.271 0.000 1.040 82 V CB -0.631 30.858 31.823 -0.555 0.000 0.671 82 V HN 0.384 nan 8.190 nan 0.000 0.455 83 Y N 2.857 122.849 120.300 -0.514 0.000 2.081 83 Y HA -0.162 4.389 4.550 0.001 0.000 0.280 83 Y C 0.129 175.760 175.900 -0.448 0.000 1.163 83 Y CA 2.399 60.031 58.100 -0.781 0.000 1.135 83 Y CB -1.448 36.380 38.460 -1.053 0.000 0.970 83 Y HN 0.293 nan 8.280 nan 0.000 0.498 84 P HA -0.135 nan 4.420 nan 0.000 0.221 84 P C 0.808 177.954 177.300 -0.256 0.000 1.150 84 P CA 1.767 64.684 63.100 -0.304 0.000 0.800 84 P CB -0.030 31.588 31.700 -0.137 0.000 0.787 85 K N -0.810 119.461 120.400 -0.215 0.000 2.155 85 K HA -0.042 4.278 4.320 0.001 0.000 0.203 85 K C 2.079 178.568 176.600 -0.184 0.000 1.052 85 K CA 0.599 56.789 56.287 -0.162 0.000 0.948 85 K CB -0.436 31.992 32.500 -0.120 0.000 0.728 85 K HN 0.062 nan 8.250 nan 0.000 0.448 86 L N 1.391 122.453 121.223 -0.269 0.000 2.131 86 L HA -0.061 4.280 4.340 0.001 0.000 0.206 86 L C 1.638 178.390 176.870 -0.196 0.000 1.087 86 L CA 1.671 56.331 54.840 -0.301 0.000 0.767 86 L CB -0.014 41.763 42.059 -0.469 0.000 0.917 86 L HN -0.097 nan 8.230 nan 0.000 0.441 87 K N -0.193 120.046 120.400 -0.268 0.000 2.288 87 K HA 0.125 4.446 4.320 0.001 0.000 0.201 87 K C 1.861 178.392 176.600 -0.114 0.000 1.048 87 K CA 0.964 57.145 56.287 -0.176 0.000 0.956 87 K CB -0.306 31.939 32.500 -0.425 0.000 0.746 87 K HN 0.391 nan 8.250 nan 0.000 0.461 88 A N 1.427 124.168 122.820 -0.130 0.000 2.167 88 A HA -0.067 4.254 4.320 0.001 0.000 0.214 88 A C 2.017 179.573 177.584 -0.047 0.000 1.151 88 A CA 1.491 53.476 52.037 -0.087 0.000 0.735 88 A CB -0.539 18.404 19.000 -0.094 0.000 0.802 88 A HN 0.401 nan 8.150 nan 0.000 0.467 89 T N -4.884 109.653 114.554 -0.028 0.000 3.100 89 T HA 0.388 4.739 4.350 0.001 0.000 0.253 89 T C 1.370 176.094 174.700 0.040 0.000 1.118 89 T CA 1.099 63.202 62.100 0.004 0.000 1.058 89 T CB 0.121 68.992 68.868 0.005 0.000 0.953 89 T HN 1.546 nan 8.240 nan 0.000 0.515 90 G N 0.738 109.565 108.800 0.046 0.000 2.141 90 G HA2 -0.238 3.723 3.960 0.001 0.000 0.231 90 G HA3 -0.238 3.723 3.960 0.001 0.000 0.231 90 G C -0.162 174.798 174.900 0.100 0.000 0.984 90 G CA -0.279 44.848 45.100 0.045 0.000 0.660 90 G HN 0.718 nan 8.290 nan 0.000 0.525 91 W N 1.935 123.194 121.300 -0.068 0.000 2.417 91 W HA 0.491 5.151 4.660 0.001 0.000 0.332 91 W C 0.554 177.035 176.519 -0.065 0.000 1.413 91 W CA 0.458 57.773 57.345 -0.049 0.000 1.299 91 W CB 0.594 30.032 29.460 -0.036 0.000 1.304 91 W HN 0.094 nan 8.180 nan 0.000 0.565 92 D N 4.048 124.204 120.400 -0.407 0.000 2.342 92 D HA 0.172 4.812 4.640 0.001 0.000 0.221 92 D C 1.073 176.856 176.300 -0.862 0.000 1.101 92 D CA 0.246 53.937 54.000 -0.514 0.000 0.837 92 D CB -0.216 40.414 40.800 -0.284 0.000 0.938 92 D HN 0.383 nan 8.370 nan 0.000 0.508 93 G N -0.675 107.116 108.800 -1.681 0.000 2.563 93 G HA2 0.269 4.230 3.960 0.001 0.000 0.283 93 G HA3 0.269 4.230 3.960 0.001 0.000 0.283 93 G C -0.737 173.473 174.900 -1.151 0.000 1.309 93 G CA -0.431 43.822 45.100 -1.413 0.000 1.022 93 G HN 0.100 nan 8.290 nan 0.000 0.501 94 Y N -1.031 119.055 120.300 -0.357 0.000 2.334 94 Y HA 0.382 4.933 4.550 0.001 0.000 0.328 94 Y C -0.074 176.072 175.900 0.411 0.000 1.130 94 Y CA -0.544 57.589 58.100 0.055 0.000 1.163 94 Y CB 1.585 40.115 38.460 0.116 0.000 1.207 94 Y HN 0.475 nan 8.280 nan 0.000 0.471 95 W N 5.219 126.788 121.300 0.448 0.000 2.471 95 W HA 0.643 5.303 4.660 0.001 0.000 0.318 95 W C -2.011 174.696 176.519 0.314 0.000 1.034 95 W CA -0.914 56.694 57.345 0.439 0.000 1.224 95 W CB 1.504 31.268 29.460 0.507 0.000 1.335 95 W HN 0.218 nan 8.180 nan 0.000 0.452 96 V N 6.437 126.369 119.914 0.029 0.000 2.448 96 V HA 0.287 4.407 4.120 0.001 0.000 0.295 96 V C -0.475 175.533 176.094 -0.143 0.000 1.025 96 V CA -0.336 61.992 62.300 0.047 0.000 0.859 96 V CB 1.615 33.449 31.823 0.017 0.000 0.988 96 V HN 0.424 nan 8.190 nan 0.000 0.431 97 D N 2.732 123.156 120.400 0.039 0.000 2.738 97 D HA 0.676 5.317 4.640 0.001 0.000 0.237 97 D C 0.329 176.676 176.300 0.080 0.000 1.123 97 D CA -0.256 53.774 54.000 0.050 0.000 0.856 97 D CB 2.732 43.677 40.800 0.242 0.000 1.552 97 D HN 0.498 nan 8.370 nan 0.000 0.480 98 A N 1.714 124.572 122.820 0.063 0.000 2.220 98 A HA 0.529 4.849 4.320 0.001 0.000 0.211 98 A C 0.899 178.532 177.584 0.081 0.000 1.176 98 A CA 0.514 52.590 52.037 0.065 0.000 0.834 98 A CB 0.102 19.130 19.000 0.046 0.000 0.868 98 A HN 0.518 nan 8.150 nan 0.000 0.488 99 A N 0.255 123.137 122.820 0.103 0.000 2.322 99 A HA 0.486 4.806 4.320 0.001 0.000 0.269 99 A C 1.459 179.105 177.584 0.104 0.000 1.094 99 A CA 0.326 52.429 52.037 0.110 0.000 0.807 99 A CB 0.286 19.369 19.000 0.138 0.000 1.047 99 A HN 0.854 nan 8.150 nan 0.000 0.487 100 S N 1.176 116.934 115.700 0.096 0.000 2.481 100 S HA 0.046 4.517 4.470 0.001 0.000 0.231 100 S C 1.827 176.473 174.600 0.076 0.000 0.996 100 S CA 0.949 59.204 58.200 0.092 0.000 0.942 100 S CB -0.611 62.650 63.200 0.102 0.000 0.768 100 S HN 1.356 nan 8.310 nan 0.000 0.520 101 A N 2.584 125.444 122.820 0.066 0.000 1.896 101 A HA -0.086 4.235 4.320 0.001 0.000 0.220 101 A C 2.062 179.640 177.584 -0.010 0.000 1.206 101 A CA 1.950 54.007 52.037 0.032 0.000 0.647 101 A CB -0.896 18.123 19.000 0.032 0.000 0.828 101 A HN 0.623 nan 8.150 nan 0.000 0.455 102 L N -1.781 119.417 121.223 -0.042 0.000 2.667 102 L HA 0.162 4.502 4.340 0.001 0.000 0.232 102 L C 2.202 179.051 176.870 -0.036 0.000 1.138 102 L CA -0.189 54.593 54.840 -0.097 0.000 0.921 102 L CB -0.153 41.744 42.059 -0.269 0.000 1.180 102 L HN 0.297 nan 8.230 nan 0.000 0.487 103 R N 0.456 120.966 120.500 0.016 0.000 2.096 103 R HA -0.127 4.213 4.340 0.001 0.000 0.240 103 R C 1.462 177.777 176.300 0.025 0.000 1.139 103 R CA 1.327 57.447 56.100 0.033 0.000 0.952 103 R CB -0.143 30.195 30.300 0.063 0.000 0.854 103 R HN 0.274 nan 8.270 nan 0.000 0.436 104 M N 0.630 120.259 119.600 0.049 0.000 2.494 104 M HA 0.113 4.594 4.480 0.001 0.000 0.232 104 M C -0.163 176.153 176.300 0.027 0.000 1.137 104 M CA 0.139 55.473 55.300 0.056 0.000 1.012 104 M CB -0.166 32.517 32.600 0.139 0.000 1.567 104 M HN -0.238 nan 8.290 nan 0.000 0.486 105 K N 1.295 121.695 120.400 0.001 0.000 2.270 105 K HA 0.079 4.400 4.320 0.001 0.000 0.276 105 K C 0.885 177.473 176.600 -0.020 0.000 1.023 105 K CA 0.013 56.294 56.287 -0.010 0.000 0.955 105 K CB 0.720 33.206 32.500 -0.024 0.000 0.975 105 K HN 0.010 nan 8.250 nan 0.000 0.471 106 D N 1.256 121.646 120.400 -0.017 0.000 2.218 106 D HA -0.152 4.489 4.640 0.001 0.000 0.204 106 D C 0.455 176.731 176.300 -0.041 0.000 0.976 106 D CA 1.186 55.170 54.000 -0.025 0.000 0.853 106 D CB 0.181 40.970 40.800 -0.018 0.000 0.939 106 D HN 0.625 nan 8.370 nan 0.000 0.481 107 D N -0.165 120.210 120.400 -0.042 0.000 2.342 107 D HA 0.190 4.831 4.640 0.001 0.000 0.221 107 D C 0.106 176.344 176.300 -0.103 0.000 1.101 107 D CA -0.217 53.747 54.000 -0.061 0.000 0.837 107 D CB 0.130 40.907 40.800 -0.038 0.000 0.938 107 D HN -0.046 nan 8.370 nan 0.000 0.508 108 A N 0.255 123.012 122.820 -0.106 0.000 2.374 108 A HA 0.709 5.030 4.320 0.001 0.000 0.317 108 A C -0.756 176.739 177.584 -0.149 0.000 1.094 108 A CA -0.760 51.188 52.037 -0.148 0.000 0.765 108 A CB 1.442 20.384 19.000 -0.095 0.000 1.268 108 A HN 0.202 nan 8.150 nan 0.000 0.438 109 I N 1.603 122.048 120.570 -0.209 0.000 2.569 109 I HA 0.374 4.544 4.170 0.001 0.000 0.296 109 I C -0.802 175.333 176.117 0.029 0.000 1.028 109 I CA -0.571 60.675 61.300 -0.090 0.000 1.082 109 I CB 2.050 40.000 38.000 -0.084 0.000 1.264 109 I HN 0.522 nan 8.210 nan 0.000 0.429 110 I N 6.189 126.793 120.570 0.057 0.000 2.315 110 I HA 0.230 4.400 4.170 0.001 0.000 0.291 110 I C -0.086 176.103 176.117 0.120 0.000 1.006 110 I CA -0.813 60.536 61.300 0.081 0.000 1.265 110 I CB 1.314 39.335 38.000 0.035 0.000 1.387 110 I HN 0.237 nan 8.210 nan 0.000 0.475 111 V N 5.604 125.611 119.914 0.154 0.000 2.439 111 V HA 0.625 4.746 4.120 0.001 0.000 0.282 111 V C -0.453 175.700 176.094 0.097 0.000 1.039 111 V CA -0.569 61.817 62.300 0.142 0.000 0.913 111 V CB 1.575 33.494 31.823 0.160 0.000 0.983 111 V HN 0.647 nan 8.190 nan 0.000 0.460 112 L N 5.178 126.448 121.223 0.079 0.000 2.348 112 L HA 0.320 4.661 4.340 0.001 0.000 0.263 112 L C 1.059 177.957 176.870 0.046 0.000 1.434 112 L CA 0.365 55.246 54.840 0.068 0.000 0.801 112 L CB 0.773 42.852 42.059 0.034 0.000 0.954 112 L HN 0.913 nan 8.230 nan 0.000 0.521 113 D N 0.355 120.790 120.400 0.057 0.000 2.203 113 D HA -0.188 4.453 4.640 0.001 0.000 0.199 113 D C -1.221 175.103 176.300 0.041 0.000 0.997 113 D CA 1.273 55.300 54.000 0.046 0.000 0.863 113 D CB -0.547 40.275 40.800 0.037 0.000 0.928 113 D HN 0.400 nan 8.370 nan 0.000 0.458 114 P HA 0.009 nan 4.420 nan 0.000 0.233 114 P C 1.476 178.781 177.300 0.008 0.000 1.167 114 P CA 0.444 63.552 63.100 0.013 0.000 0.770 114 P CB 0.355 32.034 31.700 -0.036 0.000 0.837 115 V N -0.499 119.455 119.914 0.067 0.000 2.908 115 V HA 0.084 4.204 4.120 0.001 0.000 0.240 115 V C 1.121 177.271 176.094 0.094 0.000 1.117 115 V CA 1.146 63.538 62.300 0.154 0.000 1.133 115 V CB -0.544 31.329 31.823 0.083 0.000 0.857 115 V HN 0.218 nan 8.190 nan 0.000 0.478 116 N N 0.092 118.828 118.700 0.061 0.000 2.541 116 N HA 0.090 4.830 4.740 0.001 0.000 0.297 116 N C 0.982 176.542 175.510 0.083 0.000 1.503 116 N CA -0.197 52.894 53.050 0.069 0.000 0.919 116 N CB 0.663 39.177 38.487 0.046 0.000 1.305 116 N HN 0.228 nan 8.380 nan 0.000 0.501 117 Q N 0.361 120.208 119.800 0.079 0.000 2.135 117 Q HA -0.187 4.154 4.340 0.001 0.000 0.204 117 Q C 1.630 177.681 176.000 0.084 0.000 0.981 117 Q CA 1.660 57.503 55.803 0.066 0.000 0.856 117 Q CB -0.578 28.192 28.738 0.053 0.000 0.902 117 Q HN 0.664 nan 8.270 nan 0.000 0.425 118 H N -1.027 118.059 119.070 0.027 0.000 2.353 118 H HA -0.067 4.490 4.556 0.001 0.000 0.300 118 H C 1.677 177.029 175.328 0.040 0.000 1.090 118 H CA 1.745 57.810 56.048 0.029 0.000 1.327 118 H CB 0.324 30.100 29.762 0.024 0.000 1.383 118 H HN 0.209 nan 8.280 nan 0.000 0.508 119 V N 1.212 121.175 119.914 0.081 0.000 2.427 119 V HA -0.227 3.894 4.120 0.001 0.000 0.248 119 V C 2.725 178.854 176.094 0.058 0.000 1.051 119 V CA 1.505 63.834 62.300 0.049 0.000 1.048 119 V CB -0.391 31.479 31.823 0.077 0.000 0.666 119 V HN 0.349 nan 8.190 nan 0.000 0.456 120 I N -0.372 120.249 120.570 0.085 0.000 2.233 120 I HA -0.154 4.017 4.170 0.001 0.000 0.243 120 I C 2.559 178.726 176.117 0.082 0.000 1.093 120 I CA 1.310 62.698 61.300 0.147 0.000 1.380 120 I CB -0.423 37.615 38.000 0.064 0.000 1.067 120 I HN 0.206 nan 8.210 nan 0.000 0.413 121 S N 0.321 116.016 115.700 -0.009 0.000 2.368 121 S HA -0.149 4.322 4.470 0.001 0.000 0.225 121 S C 1.913 176.481 174.600 -0.053 0.000 1.030 121 S CA 1.178 59.353 58.200 -0.041 0.000 0.999 121 S CB -0.182 62.981 63.200 -0.063 0.000 0.844 121 S HN 0.391 nan 8.310 nan 0.000 0.459 122 E N 0.727 120.852 120.200 -0.126 0.000 2.152 122 E HA 0.000 4.351 4.350 0.001 0.000 0.192 122 E C 2.283 178.874 176.600 -0.014 0.000 0.983 122 E CA 0.822 57.151 56.400 -0.118 0.000 0.818 122 E CB -0.624 28.942 29.700 -0.224 0.000 0.758 122 E HN 0.543 nan 8.360 nan 0.000 0.467 123 G N 0.998 109.825 108.800 0.045 0.000 2.421 123 G HA2 -0.169 3.791 3.960 0.001 0.000 0.217 123 G HA3 -0.169 3.791 3.960 0.001 0.000 0.217 123 G C 1.735 176.745 174.900 0.183 0.000 1.143 123 G CA 0.166 45.329 45.100 0.105 0.000 0.784 123 G HN 0.142 nan 8.290 nan 0.000 0.541 124 L N -0.183 121.180 121.223 0.233 0.000 2.056 124 L HA -0.017 4.324 4.340 0.001 0.000 0.207 124 L C 2.952 179.909 176.870 0.145 0.000 1.078 124 L CA 1.198 56.192 54.840 0.257 0.000 0.749 124 L CB -0.199 41.947 42.059 0.144 0.000 0.901 124 L HN 0.163 nan 8.230 nan 0.000 0.433 125 K N -0.179 120.265 120.400 0.074 0.000 2.148 125 K HA -0.204 4.117 4.320 0.001 0.000 0.204 125 K C 2.087 178.706 176.600 0.031 0.000 1.050 125 K CA 1.017 57.328 56.287 0.040 0.000 0.942 125 K CB -0.043 32.464 32.500 0.011 0.000 0.724 125 K HN 0.139 nan 8.250 nan 0.000 0.446 126 K N -0.186 120.232 120.400 0.030 0.000 2.288 126 K HA -0.090 4.231 4.320 0.001 0.000 0.201 126 K C 0.635 177.239 176.600 0.007 0.000 1.048 126 K CA 1.081 57.375 56.287 0.012 0.000 0.956 126 K CB 0.276 32.778 32.500 0.004 0.000 0.746 126 K HN 0.325 nan 8.250 nan 0.000 0.461 127 G N 0.924 109.742 108.800 0.029 0.000 2.143 127 G HA2 -0.129 3.832 3.960 0.001 0.000 0.175 127 G HA3 -0.129 3.832 3.960 0.001 0.000 0.175 127 G C -0.087 174.792 174.900 -0.035 0.000 1.004 127 G CA -0.309 44.791 45.100 0.000 0.000 0.671 127 G HN 0.127 nan 8.290 nan 0.000 0.512 128 I N 0.673 121.241 120.570 -0.003 0.000 2.618 128 I HA 0.165 4.336 4.170 0.001 0.000 0.284 128 I C 1.142 177.195 176.117 -0.107 0.000 1.146 128 I CA 0.490 61.724 61.300 -0.110 0.000 1.425 128 I CB 1.157 39.031 38.000 -0.210 0.000 1.383 128 I HN -0.003 nan 8.210 nan 0.000 0.562 129 K N 3.522 123.792 120.400 -0.216 0.000 2.355 129 K HA 0.156 4.477 4.320 0.001 0.000 0.198 129 K C 0.113 176.714 176.600 0.002 0.000 1.039 129 K CA 0.318 56.447 56.287 -0.262 0.000 1.075 129 K CB 0.558 32.820 32.500 -0.398 0.000 0.870 129 K HN 0.509 nan 8.250 nan 0.000 0.540 130 T N 1.521 115.986 114.554 -0.149 0.000 2.772 130 T HA 0.497 4.847 4.350 0.001 0.000 0.288 130 T C -0.787 173.712 174.700 -0.335 0.000 0.994 130 T CA -0.372 61.722 62.100 -0.009 0.000 0.951 130 T CB 0.419 69.319 68.868 0.052 0.000 0.933 130 T HN -0.158 nan 8.240 nan 0.000 0.447 131 F N 2.507 122.593 119.950 0.226 0.000 2.460 131 F HA 0.577 5.105 4.527 0.001 0.000 0.341 131 F C -0.076 175.802 175.800 0.131 0.000 1.130 131 F CA -0.965 57.124 58.000 0.148 0.000 0.962 131 F CB 1.515 40.589 39.000 0.124 0.000 1.171 131 F HN 0.212 nan 8.300 nan 0.000 0.436 132 V N 2.049 122.093 119.914 0.217 0.000 2.628 132 V HA 0.731 4.851 4.120 0.001 0.000 0.306 132 V C 0.444 176.620 176.094 0.137 0.000 1.045 132 V CA -1.100 61.296 62.300 0.160 0.000 0.905 132 V CB 1.613 33.500 31.823 0.106 0.000 0.997 132 V HN 0.856 nan 8.190 nan 0.000 0.436 133 G N 1.698 110.565 108.800 0.113 0.000 2.527 133 G HA2 0.521 4.481 3.960 0.001 0.000 0.248 133 G HA3 0.521 4.481 3.960 0.001 0.000 0.248 133 G C 0.301 175.252 174.900 0.084 0.000 1.231 133 G CA 0.233 45.389 45.100 0.093 0.000 0.838 133 G HN 1.100 nan 8.290 nan 0.000 0.570 134 G N -0.109 108.738 108.800 0.078 0.000 2.522 134 G HA2 0.386 4.347 3.960 0.001 0.000 0.304 134 G HA3 0.386 4.347 3.960 0.001 0.000 0.304 134 G C 0.314 175.259 174.900 0.075 0.000 1.210 134 G CA -0.538 44.602 45.100 0.066 0.000 0.960 134 G HN 0.827 nan 8.290 nan 0.000 0.497 138 V N 2.518 122.498 119.914 0.110 0.000 2.343 138 V HA -0.133 3.987 4.120 0.001 0.000 0.247 138 V C 2.820 178.937 176.094 0.039 0.000 1.051 138 V CA 2.589 64.922 62.300 0.055 0.000 1.036 138 V CB -0.879 30.951 31.823 0.012 0.000 0.654 138 V HN 0.574 nan 8.190 nan 0.000 0.451 139 S N -0.059 115.678 115.700 0.062 0.000 2.368 139 S HA -0.066 4.405 4.470 0.001 0.000 0.225 139 S C 1.867 176.502 174.600 0.058 0.000 1.030 139 S CA 1.403 59.636 58.200 0.056 0.000 0.999 139 S CB -0.306 62.953 63.200 0.097 0.000 0.844 139 S HN 0.469 nan 8.310 nan 0.000 0.459 140 L N 0.877 122.165 121.223 0.108 0.000 2.217 140 L HA 0.001 4.342 4.340 0.001 0.000 0.211 140 L C 2.462 179.406 176.870 0.124 0.000 1.107 140 L CA 0.838 55.748 54.840 0.117 0.000 0.783 140 L CB -0.401 41.751 42.059 0.156 0.000 0.919 140 L HN 0.392 nan 8.230 nan 0.000 0.442 141 M N -0.083 119.608 119.600 0.152 0.000 2.123 141 M HA -0.178 4.303 4.480 0.001 0.000 0.263 141 M C 2.162 178.491 176.300 0.049 0.000 1.069 141 M CA 1.811 57.224 55.300 0.188 0.000 1.133 141 M CB 0.017 32.714 32.600 0.161 0.000 1.356 141 M HN 0.163 nan 8.290 nan 0.000 0.415 142 L N 0.092 121.308 121.223 -0.012 0.000 2.201 142 L HA -0.180 4.161 4.340 0.001 0.000 0.212 142 L C 2.508 179.336 176.870 -0.070 0.000 1.105 142 L CA 0.579 55.375 54.840 -0.073 0.000 0.775 142 L CB -0.545 41.427 42.059 -0.145 0.000 0.913 142 L HN 0.418 nan 8.230 nan 0.000 0.440 143 M N -0.763 118.796 119.600 -0.068 0.000 2.319 143 M HA -0.077 4.404 4.480 0.001 0.000 0.265 143 M C 2.378 178.663 176.300 -0.025 0.000 1.068 143 M CA 1.554 56.782 55.300 -0.120 0.000 1.118 143 M CB -1.052 31.368 32.600 -0.300 0.000 1.395 143 M HN 0.276 nan 8.290 nan 0.000 0.435 144 A N 0.543 123.374 122.820 0.018 0.000 1.861 144 A HA 0.049 4.370 4.320 0.001 0.000 0.212 144 A C 1.691 179.294 177.584 0.032 0.000 1.199 144 A CA 0.791 52.866 52.037 0.063 0.000 0.613 144 A CB -0.375 18.706 19.000 0.136 0.000 0.846 144 A HN 0.548 nan 8.150 nan 0.000 0.446 145 I N -3.189 117.380 120.570 -0.002 0.000 3.816 145 I HA 0.432 4.602 4.170 0.001 0.000 0.334 145 I C 1.315 177.385 176.117 -0.078 0.000 1.551 145 I CA 0.326 61.592 61.300 -0.058 0.000 1.153 145 I CB 0.003 37.930 38.000 -0.123 0.000 1.197 145 I HN 0.083 nan 8.210 nan 0.000 0.439 146 G N 1.536 110.209 108.800 -0.212 0.000 2.470 146 G HA2 -0.128 3.832 3.960 0.001 0.000 0.220 146 G HA3 -0.128 3.832 3.960 0.001 0.000 0.220 146 G C 1.430 175.945 174.900 -0.642 0.000 1.121 146 G CA 0.791 45.605 45.100 -0.476 0.000 0.766 146 G HN 0.558 nan 8.290 nan 0.000 0.553 147 G N 0.974 109.495 108.800 -0.466 0.000 2.408 147 G HA2 -0.125 3.835 3.960 0.001 0.000 0.217 147 G HA3 -0.125 3.835 3.960 0.001 0.000 0.217 147 G C 1.729 176.572 174.900 -0.094 0.000 1.150 147 G CA 0.572 45.581 45.100 -0.152 0.000 0.776 147 G HN 0.436 nan 8.290 nan 0.000 0.542 148 L N -0.986 120.150 121.223 -0.146 0.000 2.141 148 L HA 0.086 4.427 4.340 0.001 0.000 0.209 148 L C 2.591 179.319 176.870 -0.237 0.000 1.094 148 L CA 0.598 55.309 54.840 -0.214 0.000 0.763 148 L CB -0.319 41.548 42.059 -0.319 0.000 0.908 148 L HN 0.161 nan 8.230 nan 0.000 0.437 149 F N 0.152 120.006 119.950 -0.160 0.000 2.234 149 F HA -0.149 4.378 4.527 0.001 0.000 0.296 149 F C 2.624 178.371 175.800 -0.088 0.000 1.089 149 F CA 0.960 58.883 58.000 -0.127 0.000 1.343 149 F CB 0.029 38.943 39.000 -0.143 0.000 1.040 149 F HN 0.020 nan 8.300 nan 0.000 0.498 150 E N 0.855 121.123 120.200 0.114 0.000 2.085 150 E HA -0.182 4.169 4.350 0.001 0.000 0.194 150 E C 1.531 178.158 176.600 0.045 0.000 0.994 150 E CA 1.318 57.772 56.400 0.091 0.000 0.801 150 E CB -0.032 29.755 29.700 0.145 0.000 0.743 150 E HN -0.051 nan 8.360 nan 0.000 0.453 151 K N 0.749 121.156 120.400 0.012 0.000 2.458 151 K HA 0.019 4.340 4.320 0.001 0.000 0.194 151 K C -0.141 176.440 176.600 -0.031 0.000 1.024 151 K CA 0.681 56.960 56.287 -0.014 0.000 1.108 151 K CB -0.191 32.291 32.500 -0.029 0.000 0.846 151 K HN 0.182 nan 8.250 nan 0.000 0.518 152 D N 0.317 120.704 120.400 -0.021 0.000 2.689 152 D HA -0.166 4.475 4.640 0.001 0.000 0.237 152 D C 0.074 176.325 176.300 -0.082 0.000 1.148 152 D CA 0.171 54.153 54.000 -0.030 0.000 0.656 152 D CB -0.743 40.048 40.800 -0.015 0.000 1.050 152 D HN 0.023 nan 8.370 nan 0.000 0.426 153 L N -0.349 120.791 121.223 -0.139 0.000 2.556 153 L HA 0.294 4.634 4.340 0.001 0.000 0.226 153 L C 0.606 177.317 176.870 -0.265 0.000 1.089 153 L CA 0.479 55.209 54.840 -0.184 0.000 0.864 153 L CB 0.437 42.387 42.059 -0.182 0.000 1.067 153 L HN 0.140 nan 8.230 nan 0.000 0.477 154 V N 0.188 119.897 119.914 -0.342 0.000 2.432 154 V HA 0.103 4.223 4.120 0.001 0.000 0.271 154 V C 1.330 177.270 176.094 -0.257 0.000 1.046 154 V CA -0.156 61.885 62.300 -0.432 0.000 0.945 154 V CB 1.501 32.825 31.823 -0.832 0.000 0.992 154 V HN 0.299 nan 8.190 nan 0.000 0.471 155 E N 5.529 125.560 120.200 -0.282 0.000 2.099 155 E HA 0.082 4.433 4.350 0.001 0.000 0.191 155 E C 0.131 176.743 176.600 0.019 0.000 0.962 155 E CA 0.479 56.783 56.400 -0.160 0.000 0.826 155 E CB 0.543 30.075 29.700 -0.281 0.000 0.788 155 E HN 0.773 nan 8.360 nan 0.000 0.461 156 W N -0.680 120.547 121.300 -0.122 0.000 3.059 156 W HA 0.552 5.213 4.660 0.001 0.000 0.329 156 W C -1.727 174.731 176.519 -0.101 0.000 1.246 156 W CA -0.886 56.411 57.345 -0.079 0.000 1.190 156 W CB 0.451 29.878 29.460 -0.056 0.000 1.423 156 W HN -0.258 nan 8.180 nan 0.000 0.571 157 I N 2.934 123.769 120.570 0.441 0.000 2.534 157 I HA 0.198 4.369 4.170 0.001 0.000 0.288 157 I C -0.069 176.277 176.117 0.380 0.000 1.077 157 I CA -0.711 60.778 61.300 0.315 0.000 1.051 157 I CB 2.516 40.543 38.000 0.044 0.000 1.234 157 I HN 0.418 nan 8.210 nan 0.000 0.425 158 S N 5.957 121.930 115.700 0.455 0.000 2.442 158 S HA 0.761 5.231 4.470 0.001 0.000 0.297 158 S C -0.560 174.226 174.600 0.310 0.000 1.131 158 S CA -0.605 57.768 58.200 0.288 0.000 1.092 158 S CB 1.458 64.815 63.200 0.261 0.000 0.998 158 S HN 0.295 nan 8.310 nan 0.000 0.478 159 V N 1.862 121.921 119.914 0.242 0.000 2.667 159 V HA 0.906 5.026 4.120 0.001 0.000 0.308 159 V C 0.138 176.305 176.094 0.122 0.000 1.048 159 V CA -0.780 61.685 62.300 0.276 0.000 0.928 159 V CB 1.474 33.470 31.823 0.288 0.000 1.004 159 V HN 1.212 nan 8.190 nan 0.000 0.444 160 A N 2.189 125.052 122.820 0.070 0.000 2.446 160 A HA 0.751 5.072 4.320 0.001 0.000 0.282 160 A C -0.153 177.382 177.584 -0.083 0.000 1.102 160 A CA -0.297 51.724 52.037 -0.027 0.000 0.737 160 A CB 1.392 20.393 19.000 0.002 0.000 1.212 160 A HN 0.987 nan 8.150 nan 0.000 0.434 161 T N -0.928 113.533 114.554 -0.155 0.000 2.943 161 T HA 0.698 5.049 4.350 0.001 0.000 0.284 161 T C -0.879 173.641 174.700 -0.300 0.000 1.015 161 T CA -0.369 61.653 62.100 -0.129 0.000 1.042 161 T CB 0.847 69.655 68.868 -0.099 0.000 1.055 161 T HN 0.423 nan 8.240 nan 0.000 0.500 162 Y N 0.823 121.070 120.300 -0.088 0.000 2.787 162 Y HA 0.376 4.926 4.550 0.001 0.000 0.352 162 Y C 0.523 176.384 175.900 -0.065 0.000 1.027 162 Y CA -0.975 57.107 58.100 -0.031 0.000 1.219 162 Y CB 0.680 39.170 38.460 0.051 0.000 1.110 162 Y HN 0.615 nan 8.280 nan 0.000 0.614 163 Q N 1.712 121.472 119.800 -0.066 0.000 2.261 163 Q HA 0.696 5.037 4.340 0.001 0.000 0.252 163 Q C -0.023 176.010 176.000 0.056 0.000 0.915 163 Q CA -0.697 54.976 55.803 -0.216 0.000 0.915 163 Q CB 1.760 30.214 28.738 -0.473 0.000 1.204 163 Q HN 0.710 nan 8.270 nan 0.000 0.421 164 A N 1.444 124.454 122.820 0.317 0.000 2.304 164 A HA 0.472 4.793 4.320 0.001 0.000 0.271 164 A C 0.904 178.664 177.584 0.293 0.000 1.091 164 A CA 0.241 52.459 52.037 0.301 0.000 0.812 164 A CB 0.493 19.673 19.000 0.299 0.000 1.056 164 A HN 0.924 nan 8.150 nan 0.000 0.489 165 A N 0.675 123.642 122.820 0.245 0.000 2.121 165 A HA -0.016 4.305 4.320 0.001 0.000 0.218 165 A C 2.220 179.951 177.584 0.246 0.000 1.154 165 A CA 1.989 54.223 52.037 0.328 0.000 0.679 165 A CB -0.929 18.300 19.000 0.382 0.000 0.795 165 A HN 1.616 nan 8.150 nan 0.000 0.458 166 S N -0.640 115.168 115.700 0.179 0.000 2.447 166 S HA 0.029 4.500 4.470 0.001 0.000 0.233 166 S C 1.859 176.527 174.600 0.112 0.000 1.006 166 S CA 1.091 59.356 58.200 0.108 0.000 0.957 166 S CB -0.777 62.455 63.200 0.053 0.000 0.773 166 S HN 0.596 nan 8.310 nan 0.000 0.507 167 G N 0.973 109.889 108.800 0.194 0.000 2.448 167 G HA2 0.218 4.178 3.960 0.001 0.000 0.218 167 G HA3 0.218 4.178 3.960 0.001 0.000 0.218 167 G C 1.486 176.487 174.900 0.169 0.000 1.135 167 G CA 0.524 45.752 45.100 0.213 0.000 0.784 167 G HN 0.744 nan 8.290 nan 0.000 0.543 168 A N -0.677 122.246 122.820 0.172 0.000 1.984 168 A HA 0.589 4.910 4.320 0.001 0.000 0.214 168 A C 1.257 178.865 177.584 0.040 0.000 1.173 168 A CA 1.491 53.599 52.037 0.118 0.000 0.673 168 A CB -0.044 19.050 19.000 0.156 0.000 0.830 168 A HN 1.555 nan 8.150 nan 0.000 0.453 169 G N -3.602 105.220 108.800 0.036 0.000 2.353 169 G HA2 0.479 4.440 3.960 0.001 0.000 0.308 169 G HA3 0.479 4.440 3.960 0.001 0.000 0.308 169 G C 0.500 175.394 174.900 -0.010 0.000 1.418 169 G CA -0.113 44.986 45.100 -0.001 0.000 0.966 169 G HN 0.928 nan 8.290 nan 0.000 0.638 170 A N 0.013 122.822 122.820 -0.018 0.000 1.902 170 A HA 0.050 4.370 4.320 0.001 0.000 0.217 170 A C 2.108 179.672 177.584 -0.032 0.000 1.181 170 A CA 2.232 54.258 52.037 -0.018 0.000 0.623 170 A CB -0.401 18.584 19.000 -0.025 0.000 0.818 170 A HN 0.618 nan 8.150 nan 0.000 0.443 171 K N -0.533 119.832 120.400 -0.059 0.000 2.288 171 K HA -0.081 4.240 4.320 0.001 0.000 0.201 171 K C 1.470 177.996 176.600 -0.124 0.000 1.048 171 K CA 1.299 57.538 56.287 -0.081 0.000 0.956 171 K CB -0.206 32.239 32.500 -0.091 0.000 0.746 171 K HN 0.515 nan 8.250 nan 0.000 0.461 172 N N 0.650 119.251 118.700 -0.164 0.000 2.216 172 N HA -0.025 4.716 4.740 0.001 0.000 0.183 172 N C 1.605 177.131 175.510 0.026 0.000 1.017 172 N CA 0.996 53.869 53.050 -0.296 0.000 0.861 172 N CB 0.058 38.318 38.487 -0.379 0.000 0.986 172 N HN 0.075 nan 8.380 nan 0.000 0.428 173 M N 0.061 119.697 119.600 0.061 0.000 2.175 173 M HA -0.050 4.431 4.480 0.001 0.000 0.264 173 M C 1.851 178.194 176.300 0.072 0.000 1.063 173 M CA 1.327 56.688 55.300 0.102 0.000 1.119 173 M CB -0.019 32.620 32.600 0.066 0.000 1.377 173 M HN 0.082 nan 8.290 nan 0.000 0.415 174 R N -0.166 120.349 120.500 0.025 0.000 2.075 174 R HA -0.153 4.188 4.340 0.001 0.000 0.232 174 R C 2.103 178.408 176.300 0.008 0.000 1.126 174 R CA 1.445 57.549 56.100 0.007 0.000 0.963 174 R CB -0.371 29.918 30.300 -0.018 0.000 0.858 174 R HN 0.462 nan 8.270 nan 0.000 0.435 175 E N 0.917 121.122 120.200 0.008 0.000 2.106 175 E HA -0.196 4.154 4.350 0.001 0.000 0.192 175 E C 1.914 178.562 176.600 0.081 0.000 0.984 175 E CA 0.773 57.181 56.400 0.014 0.000 0.806 175 E CB 0.047 29.740 29.700 -0.011 0.000 0.750 175 E HN 0.125 nan 8.360 nan 0.000 0.458 176 L N 0.768 122.104 121.223 0.188 0.000 2.017 176 L HA -0.143 4.197 4.340 0.001 0.000 0.208 176 L C 2.070 178.983 176.870 0.073 0.000 1.073 176 L CA 1.599 56.538 54.840 0.165 0.000 0.745 176 L CB -0.419 41.758 42.059 0.197 0.000 0.894 176 L HN 0.215 nan 8.230 nan 0.000 0.432 177 L N -1.087 120.171 121.223 0.058 0.000 2.046 177 L HA -0.177 4.163 4.340 0.001 0.000 0.208 177 L C 2.493 179.370 176.870 0.011 0.000 1.077 177 L CA 1.381 56.242 54.840 0.035 0.000 0.747 177 L CB -0.688 41.389 42.059 0.031 0.000 0.896 177 L HN 0.231 nan 8.230 nan 0.000 0.432 178 S N -0.793 114.897 115.700 -0.015 0.000 2.382 178 S HA -0.217 4.254 4.470 0.001 0.000 0.228 178 S C 1.939 176.485 174.600 -0.091 0.000 1.027 178 S CA 1.137 59.307 58.200 -0.050 0.000 0.991 178 S CB -0.163 62.991 63.200 -0.076 0.000 0.823 178 S HN 0.432 nan 8.310 nan 0.000 0.469 179 Q N 0.389 120.108 119.800 -0.135 0.000 2.079 179 Q HA -0.006 4.334 4.340 0.001 0.000 0.200 179 Q C 2.245 178.288 176.000 0.072 0.000 0.974 179 Q CA 1.194 56.873 55.803 -0.207 0.000 0.840 179 Q CB -0.236 28.396 28.738 -0.176 0.000 0.898 179 Q HN 0.532 nan 8.270 nan 0.000 0.430 180 M N -0.444 119.198 119.600 0.070 0.000 2.117 180 M HA -0.134 4.347 4.480 0.001 0.000 0.262 180 M C 2.177 178.527 176.300 0.084 0.000 1.065 180 M CA 1.584 56.938 55.300 0.090 0.000 1.114 180 M CB -0.464 32.174 32.600 0.064 0.000 1.361 180 M HN 0.343 nan 8.290 nan 0.000 0.408 181 G N 0.205 109.040 108.800 0.059 0.000 2.402 181 G HA2 -0.146 3.815 3.960 0.001 0.000 0.216 181 G HA3 -0.146 3.815 3.960 0.001 0.000 0.216 181 G C 1.477 176.422 174.900 0.074 0.000 1.162 181 G CA 0.406 45.538 45.100 0.053 0.000 0.777 181 G HN 0.327 nan 8.290 nan 0.000 0.539 182 L N 0.013 121.295 121.223 0.098 0.000 2.131 182 L HA 0.015 4.356 4.340 0.001 0.000 0.210 182 L C 2.837 179.819 176.870 0.188 0.000 1.092 182 L CA 0.420 55.351 54.840 0.152 0.000 0.759 182 L CB -0.252 41.928 42.059 0.202 0.000 0.903 182 L HN 0.192 nan 8.230 nan 0.000 0.435 183 L N -0.777 120.572 121.223 0.210 0.000 2.093 183 L HA -0.171 4.170 4.340 0.001 0.000 0.208 183 L C 2.722 179.640 176.870 0.080 0.000 1.085 183 L CA 1.064 55.990 54.840 0.145 0.000 0.755 183 L CB -0.464 41.684 42.059 0.148 0.000 0.904 183 L HN 0.313 nan 8.230 nan 0.000 0.435 184 E N 0.361 120.605 120.200 0.074 0.000 2.076 184 E HA -0.194 4.157 4.350 0.001 0.000 0.190 184 E C 2.056 178.683 176.600 0.044 0.000 0.979 184 E CA 0.998 57.428 56.400 0.050 0.000 0.807 184 E CB 0.105 29.831 29.700 0.044 0.000 0.761 184 E HN 0.506 nan 8.360 nan 0.000 0.454 185 Q N -0.088 119.742 119.800 0.052 0.000 2.291 185 Q HA -0.077 4.264 4.340 0.001 0.000 0.206 185 Q C 1.940 177.964 176.000 0.041 0.000 0.976 185 Q CA 1.299 57.128 55.803 0.044 0.000 0.875 185 Q CB -0.109 28.657 28.738 0.047 0.000 0.927 185 Q HN 0.277 nan 8.270 nan 0.000 0.450 186 A N 0.238 123.086 122.820 0.047 0.000 2.119 186 A HA -0.038 4.282 4.320 0.001 0.000 0.217 186 A C 1.620 179.217 177.584 0.022 0.000 1.153 186 A CA 1.270 53.328 52.037 0.035 0.000 0.692 186 A CB 0.147 19.168 19.000 0.034 0.000 0.799 186 A HN 0.285 nan 8.150 nan 0.000 0.458 187 V N -3.058 116.870 119.914 0.022 0.000 3.111 187 V HA 0.152 4.272 4.120 0.001 0.000 0.343 187 V C 1.313 177.416 176.094 0.016 0.000 1.417 187 V CA 0.557 62.867 62.300 0.016 0.000 1.142 187 V CB -0.783 31.048 31.823 0.012 0.000 1.114 187 V HN 0.420 nan 8.190 nan 0.000 0.520 188 S N 1.993 117.705 115.700 0.019 0.000 2.387 188 S HA -0.244 4.226 4.470 0.001 0.000 0.230 188 S C 2.042 176.650 174.600 0.013 0.000 1.035 188 S CA 2.022 60.232 58.200 0.017 0.000 1.014 188 S CB -0.864 62.347 63.200 0.019 0.000 0.836 188 S HN 1.044 nan 8.310 nan 0.000 0.466 189 S N 2.077 117.784 115.700 0.012 0.000 2.387 189 S HA -0.018 4.453 4.470 0.001 0.000 0.226 189 S C 1.689 176.294 174.600 0.008 0.000 1.026 189 S CA 0.901 59.106 58.200 0.010 0.000 0.972 189 S CB -0.539 62.667 63.200 0.009 0.000 0.814 189 S HN 0.504 nan 8.310 nan 0.000 0.477 190 E N 1.759 121.964 120.200 0.008 0.000 2.106 190 E HA 0.102 4.453 4.350 0.001 0.000 0.192 190 E C 1.969 178.573 176.600 0.007 0.000 0.984 190 E CA 0.853 57.257 56.400 0.007 0.000 0.806 190 E CB -0.474 29.229 29.700 0.006 0.000 0.750 190 E HN 0.477 nan 8.360 nan 0.000 0.458 191 L N 0.145 121.374 121.223 0.009 0.000 2.156 191 L HA -0.101 4.239 4.340 0.001 0.000 0.208 191 L C 2.080 178.955 176.870 0.009 0.000 1.095 191 L CA 0.832 55.678 54.840 0.009 0.000 0.770 191 L CB -0.118 41.948 42.059 0.012 0.000 0.914 191 L HN 0.013 nan 8.230 nan 0.000 0.439 192 K N -0.063 120.342 120.400 0.009 0.000 2.288 192 K HA -0.089 4.232 4.320 0.001 0.000 0.201 192 K C 0.483 177.086 176.600 0.006 0.000 1.048 192 K CA 0.441 56.733 56.287 0.008 0.000 0.956 192 K CB -0.094 32.410 32.500 0.008 0.000 0.746 192 K HN 0.018 nan 8.250 nan 0.000 0.461 193 D N 0.331 120.735 120.400 0.006 0.000 2.365 193 D HA 0.053 4.694 4.640 0.001 0.000 0.237 193 D C -1.787 174.516 176.300 0.004 0.000 1.190 193 D CA -2.362 51.641 54.000 0.005 0.000 0.867 193 D CB 1.259 42.062 40.800 0.005 0.000 1.050 193 D HN 0.009 nan 8.370 nan 0.000 0.491 194 P HA -0.062 nan 4.420 nan 0.000 0.225 194 P C 0.507 177.809 177.300 0.003 0.000 1.148 194 P CA 0.462 63.564 63.100 0.004 0.000 0.779 194 P CB 0.372 32.074 31.700 0.003 0.000 0.780 195 A N -0.230 122.592 122.820 0.003 0.000 2.430 195 A HA 0.268 4.589 4.320 0.001 0.000 0.243 195 A C 1.053 178.638 177.584 0.002 0.000 1.254 195 A CA -0.092 51.947 52.037 0.002 0.000 0.914 195 A CB -0.498 18.503 19.000 0.002 0.000 0.998 195 A HN 0.296 nan 8.150 nan 0.000 0.515 196 S N -0.178 115.523 115.700 0.002 0.000 2.593 196 S HA 0.368 4.839 4.470 0.001 0.000 0.269 196 S C 0.468 175.069 174.600 0.001 0.000 1.334 196 S CA 0.157 58.358 58.200 0.002 0.000 1.015 196 S CB 0.951 64.153 63.200 0.003 0.000 0.912 196 S HN 0.483 nan 8.310 nan 0.000 0.541 197 S N 0.512 116.212 115.700 0.001 0.000 2.505 197 S HA 0.180 4.650 4.470 0.001 0.000 0.276 197 S C 0.834 175.434 174.600 -0.001 0.000 1.274 197 S CA -0.802 57.398 58.200 -0.000 0.000 1.053 197 S CB -0.106 63.093 63.200 -0.001 0.000 0.919 197 S HN 0.694 nan 8.310 nan 0.000 0.490 198 I N 5.675 126.245 120.570 -0.001 0.000 2.439 198 I HA 0.034 4.205 4.170 0.001 0.000 0.251 198 I C 1.542 177.657 176.117 -0.003 0.000 1.139 198 I CA 1.293 62.593 61.300 -0.001 0.000 1.438 198 I CB -0.317 37.683 38.000 -0.000 0.000 1.085 198 I HN 0.730 nan 8.210 nan 0.000 0.427 199 L N 0.222 121.443 121.223 -0.004 0.000 2.141 199 L HA -0.172 4.168 4.340 0.001 0.000 0.209 199 L C 2.073 178.940 176.870 -0.007 0.000 1.094 199 L CA 1.949 56.785 54.840 -0.005 0.000 0.763 199 L CB -0.876 41.180 42.059 -0.005 0.000 0.908 199 L HN 0.328 nan 8.230 nan 0.000 0.437 200 D N -0.734 119.663 120.400 -0.005 0.000 2.137 200 D HA -0.127 4.514 4.640 0.001 0.000 0.202 200 D C 2.270 178.567 176.300 -0.006 0.000 0.970 200 D CA 0.828 54.825 54.000 -0.005 0.000 0.837 200 D CB 0.111 40.910 40.800 -0.003 0.000 0.981 200 D HN 0.261 nan 8.370 nan 0.000 0.475 201 I N 0.511 121.078 120.570 -0.004 0.000 2.179 201 I HA -0.232 3.939 4.170 0.001 0.000 0.242 201 I C 2.352 178.465 176.117 -0.007 0.000 1.088 201 I CA 1.514 62.812 61.300 -0.003 0.000 1.357 201 I CB -0.415 37.586 38.000 0.000 0.000 1.051 201 I HN 0.160 nan 8.210 nan 0.000 0.409 202 E N 1.572 121.767 120.200 -0.009 0.000 2.077 202 E HA -0.246 4.105 4.350 0.001 0.000 0.193 202 E C 2.173 178.759 176.600 -0.022 0.000 0.989 202 E CA 1.416 57.808 56.400 -0.014 0.000 0.800 202 E CB -0.402 29.291 29.700 -0.012 0.000 0.746 202 E HN 0.282 nan 8.360 nan 0.000 0.452 203 R N 0.346 120.834 120.500 -0.019 0.000 2.105 203 R HA -0.070 4.271 4.340 0.001 0.000 0.239 203 R C 2.359 178.642 176.300 -0.029 0.000 1.135 203 R CA 1.900 57.986 56.100 -0.023 0.000 0.967 203 R CB -0.162 30.127 30.300 -0.017 0.000 0.861 203 R HN 0.232 nan 8.270 nan 0.000 0.442 204 K N -0.067 120.319 120.400 -0.024 0.000 2.076 204 K HA -0.056 4.265 4.320 0.001 0.000 0.204 204 K C 2.101 178.679 176.600 -0.038 0.000 1.051 204 K CA 1.204 57.476 56.287 -0.024 0.000 0.949 204 K CB -0.144 32.350 32.500 -0.011 0.000 0.726 204 K HN 0.091 nan 8.250 nan 0.000 0.443 205 V N 0.846 120.738 119.914 -0.036 0.000 2.548 205 V HA -0.169 3.952 4.120 0.001 0.000 0.249 205 V C 1.654 177.682 176.094 -0.110 0.000 1.055 205 V CA 2.065 64.334 62.300 -0.052 0.000 1.065 205 V CB -0.403 31.407 31.823 -0.021 0.000 0.681 205 V HN 0.228 nan 8.190 nan 0.000 0.462 206 T N 0.859 115.357 114.554 -0.093 0.000 2.857 206 T HA 0.107 4.458 4.350 0.001 0.000 0.266 206 T C 2.091 176.707 174.700 -0.140 0.000 1.048 206 T CA 1.471 63.502 62.100 -0.115 0.000 1.139 206 T CB -0.418 68.406 68.868 -0.073 0.000 0.874 206 T HN 0.721 nan 8.240 nan 0.000 0.455 207 A N 1.602 124.359 122.820 -0.105 0.000 1.930 207 A HA -0.043 4.278 4.320 0.001 0.000 0.217 207 A C 2.191 179.697 177.584 -0.131 0.000 1.175 207 A CA 1.664 53.645 52.037 -0.093 0.000 0.627 207 A CB -0.389 18.578 19.000 -0.055 0.000 0.815 207 A HN 0.312 nan 8.150 nan 0.000 0.443 208 K N -0.227 120.078 120.400 -0.159 0.000 2.103 208 K HA 0.027 4.348 4.320 0.001 0.000 0.204 208 K C 1.916 178.183 176.600 -0.555 0.000 1.052 208 K CA 1.701 57.875 56.287 -0.189 0.000 0.945 208 K CB -0.455 31.996 32.500 -0.082 0.000 0.722 208 K HN 0.458 nan 8.250 nan 0.000 0.443 209 M N -0.182 118.967 119.600 -0.752 0.000 2.213 209 M HA -0.124 4.357 4.480 0.001 0.000 0.263 209 M C 1.324 177.217 176.300 -0.680 0.000 1.062 209 M CA 1.588 56.147 55.300 -1.236 0.000 1.105 209 M CB 0.122 32.343 32.600 -0.632 0.000 1.385 209 M HN 0.029 nan 8.290 nan 0.000 0.417 210 R N -0.098 120.200 120.500 -0.337 0.000 2.300 210 R HA 0.298 4.639 4.340 0.001 0.000 0.199 210 R C 0.546 176.803 176.300 -0.071 0.000 0.920 210 R CA 0.023 56.035 56.100 -0.148 0.000 1.046 210 R CB 0.097 30.336 30.300 -0.102 0.000 0.984 210 R HN 0.281 nan 8.270 nan 0.000 0.493 211 A N 1.209 123.984 122.820 -0.074 0.000 2.406 211 A HA 0.013 4.334 4.320 0.001 0.000 0.243 211 A C 0.397 178.028 177.584 0.080 0.000 1.082 211 A CA -0.332 51.712 52.037 0.012 0.000 0.786 211 A CB 0.352 19.368 19.000 0.028 0.000 1.029 211 A HN 0.071 nan 8.150 nan 0.000 0.495 212 D N 0.948 121.388 120.400 0.067 0.000 2.104 212 D HA -0.179 4.462 4.640 0.001 0.000 0.194 212 D C 1.375 177.734 176.300 0.099 0.000 0.994 212 D CA 2.035 56.079 54.000 0.072 0.000 0.830 212 D CB -0.261 40.567 40.800 0.046 0.000 0.959 212 D HN 0.790 nan 8.370 nan 0.000 0.452 213 N N 0.299 119.061 118.700 0.104 0.000 2.571 213 N HA -0.141 4.599 4.740 0.001 0.000 0.189 213 N C 0.196 175.796 175.510 0.149 0.000 1.154 213 N CA -0.124 52.987 53.050 0.102 0.000 0.907 213 N CB -0.835 37.699 38.487 0.077 0.000 0.977 213 N HN 0.040 nan 8.380 nan 0.000 0.449 214 F N 3.706 123.669 119.950 0.021 0.000 2.506 214 F HA 0.239 4.767 4.527 0.001 0.000 0.371 214 F C -1.827 173.995 175.800 0.036 0.000 1.078 214 F CA -2.808 55.209 58.000 0.028 0.000 1.195 214 F CB 0.362 39.379 39.000 0.028 0.000 1.099 214 F HN 0.006 nan 8.300 nan 0.000 0.548 215 P HA 0.031 nan 4.420 nan 0.000 0.263 215 P C -0.116 177.097 177.300 -0.145 0.000 1.247 215 P CA 0.132 63.117 63.100 -0.191 0.000 0.876 215 P CB 0.119 31.691 31.700 -0.213 0.000 0.928 216 T N -1.868 112.691 114.554 0.009 0.000 3.231 216 T HA 0.100 4.450 4.350 0.001 0.000 0.292 216 T C 0.812 175.559 174.700 0.077 0.000 1.001 216 T CA -0.275 61.886 62.100 0.101 0.000 0.920 216 T CB -0.254 68.720 68.868 0.177 0.000 1.140 216 T HN 0.101 nan 8.240 nan 0.000 0.525 217 D N 2.544 122.954 120.400 0.016 0.000 2.104 217 D HA -0.147 4.494 4.640 0.001 0.000 0.194 217 D C 1.704 177.978 176.300 -0.043 0.000 0.994 217 D CA 1.104 55.098 54.000 -0.010 0.000 0.830 217 D CB -0.001 40.781 40.800 -0.030 0.000 0.959 217 D HN 0.470 nan 8.370 nan 0.000 0.452 218 N N -0.090 118.540 118.700 -0.117 0.000 2.216 218 N HA -0.053 4.688 4.740 0.001 0.000 0.183 218 N C 1.764 177.098 175.510 -0.294 0.000 1.017 218 N CA 0.646 53.541 53.050 -0.259 0.000 0.861 218 N CB -0.113 38.109 38.487 -0.441 0.000 0.986 218 N HN 0.222 nan 8.380 nan 0.000 0.428 219 F N -0.024 119.941 119.950 0.025 0.000 2.530 219 F HA 0.212 4.740 4.527 0.001 0.000 0.292 219 F C 1.902 177.725 175.800 0.038 0.000 1.109 219 F CA 0.355 58.379 58.000 0.040 0.000 1.450 219 F CB 0.277 39.305 39.000 0.048 0.000 1.114 219 F HN 0.068 nan 8.300 nan 0.000 0.560 220 G N 0.725 109.643 108.800 0.197 0.000 2.176 220 G HA2 -0.029 3.931 3.960 0.001 0.000 0.253 220 G HA3 -0.029 3.931 3.960 0.001 0.000 0.253 220 G C 0.030 175.004 174.900 0.123 0.000 0.979 220 G CA -0.003 45.169 45.100 0.119 0.000 0.641 220 G HN 0.838 nan 8.290 nan 0.000 0.530 221 A N -1.515 121.413 122.820 0.179 0.000 2.540 221 A HA 1.010 5.330 4.320 0.001 0.000 0.291 221 A C -0.018 177.678 177.584 0.187 0.000 1.083 221 A CA 0.265 52.390 52.037 0.146 0.000 0.650 221 A CB 0.133 19.189 19.000 0.093 0.000 1.292 221 A HN 2.087 nan 8.150 nan 0.000 0.435 222 A N -0.579 122.347 122.820 0.177 0.000 2.371 222 A HA 0.586 4.907 4.320 0.001 0.000 0.257 222 A C 0.482 178.102 177.584 0.060 0.000 1.089 222 A CA 0.328 52.508 52.037 0.237 0.000 0.794 222 A CB 0.461 19.638 19.000 0.295 0.000 1.029 222 A HN 1.836 nan 8.150 nan 0.000 0.488 223 L N 2.283 123.507 121.223 0.002 0.000 2.586 223 L HA 0.372 4.713 4.340 0.001 0.000 0.204 223 L C 1.498 178.345 176.870 -0.038 0.000 1.053 223 L CA 1.299 56.031 54.840 -0.179 0.000 0.856 223 L CB -0.324 41.388 42.059 -0.579 0.000 1.192 223 L HN 0.764 nan 8.230 nan 0.000 0.484 224 G N -0.556 108.278 108.800 0.057 0.000 2.334 224 G HA2 0.379 4.340 3.960 0.001 0.000 0.261 224 G HA3 0.379 4.340 3.960 0.001 0.000 0.261 224 G C 0.937 175.909 174.900 0.120 0.000 1.257 224 G CA 0.281 45.441 45.100 0.099 0.000 0.935 224 G HN 0.920 nan 8.290 nan 0.000 0.480 225 G N 0.500 109.342 108.800 0.070 0.000 2.143 225 G HA2 -0.127 3.834 3.960 0.001 0.000 0.249 225 G HA3 -0.127 3.834 3.960 0.001 0.000 0.249 225 G C 0.509 175.425 174.900 0.026 0.000 0.981 225 G CA 0.986 46.115 45.100 0.048 0.000 0.665 225 G HN 1.517 nan 8.290 nan 0.000 0.528 226 S N -1.808 113.905 115.700 0.021 0.000 3.070 226 S HA 0.911 5.382 4.470 0.001 0.000 0.320 226 S C -1.446 173.145 174.600 -0.015 0.000 1.215 226 S CA 0.356 58.559 58.200 0.004 0.000 0.956 226 S CB 0.981 64.186 63.200 0.008 0.000 1.337 226 S HN 1.770 nan 8.310 nan 0.000 0.639 227 L N -0.499 120.708 121.223 -0.027 0.000 2.775 227 L HA 0.771 5.112 4.340 0.001 0.000 0.263 227 L C -1.706 175.140 176.870 -0.041 0.000 1.017 227 L CA -0.644 54.168 54.840 -0.048 0.000 0.891 227 L CB 1.026 43.065 42.059 -0.033 0.000 1.482 227 L HN 0.592 nan 8.230 nan 0.000 0.410 228 I N 1.518 122.062 120.570 -0.044 0.000 2.468 228 I HA 0.427 4.598 4.170 0.001 0.000 0.284 228 I C -2.132 174.011 176.117 0.044 0.000 1.038 228 I CA -1.075 60.233 61.300 0.012 0.000 1.083 228 I CB 2.762 40.771 38.000 0.014 0.000 1.223 228 I HN 0.564 nan 8.210 nan 0.000 0.443 229 P HA 0.050 nan 4.420 nan 0.000 0.228 229 P C -0.916 176.488 177.300 0.173 0.000 1.764 229 P CA 0.195 63.340 63.100 0.075 0.000 0.929 229 P CB -0.145 31.590 31.700 0.058 0.000 1.675 230 W N 1.376 122.673 121.300 -0.005 0.000 3.544 230 W HA 0.405 5.066 4.660 0.001 0.000 0.326 230 W C -2.251 174.288 176.519 0.034 0.000 1.137 230 W CA -0.608 56.746 57.345 0.016 0.000 1.252 230 W CB 1.256 30.729 29.460 0.022 0.000 1.302 230 W HN -0.250 nan 8.180 nan 0.000 0.467 231 I N 6.865 127.461 120.570 0.043 0.000 2.478 231 I HA 0.231 4.402 4.170 0.001 0.000 0.287 231 I C 0.251 176.420 176.117 0.087 0.000 1.042 231 I CA -0.208 61.166 61.300 0.123 0.000 1.067 231 I CB 1.769 39.801 38.000 0.054 0.000 1.233 231 I HN 0.362 nan 8.210 nan 0.000 0.431 232 D N 3.496 124.024 120.400 0.214 0.000 6.629 232 D HA -0.177 4.464 4.640 0.001 0.000 0.321 232 D C -0.351 176.126 176.300 0.296 0.000 2.556 232 D CA 0.426 54.542 54.000 0.193 0.000 1.570 232 D CB 0.336 41.203 40.800 0.112 0.000 1.139 232 D HN 0.423 nan 8.370 nan 0.000 1.246 233 K N 0.334 120.860 120.400 0.211 0.000 2.319 233 K HA 0.345 4.665 4.320 0.001 0.000 0.265 233 K C 0.135 176.870 176.600 0.224 0.000 1.000 233 K CA -0.322 56.102 56.287 0.230 0.000 0.943 233 K CB 0.395 32.960 32.500 0.109 0.000 0.950 233 K HN 0.339 nan 8.250 nan 0.000 0.485 234 L N 4.368 125.779 121.223 0.314 0.000 2.417 234 L HA 0.252 4.593 4.340 0.001 0.000 0.268 234 L C -0.849 176.068 176.870 0.079 0.000 1.158 234 L CA -0.411 54.591 54.840 0.270 0.000 0.819 234 L CB 0.661 42.974 42.059 0.423 0.000 1.112 234 L HN 0.618 nan 8.230 nan 0.000 0.458 235 L N 7.187 128.418 121.223 0.012 0.000 2.335 235 L HA 0.360 4.701 4.340 0.001 0.000 0.268 235 L C -1.741 175.122 176.870 -0.010 0.000 1.037 235 L CA -1.394 53.409 54.840 -0.062 0.000 0.895 235 L CB 1.266 43.244 42.059 -0.135 0.000 1.266 235 L HN 0.449 nan 8.230 nan 0.000 0.439 236 P HA -0.252 nan 4.420 nan 0.000 0.217 236 P C 1.111 178.421 177.300 0.018 0.000 1.148 236 P CA 1.172 64.285 63.100 0.022 0.000 0.834 236 P CB 0.334 32.042 31.700 0.014 0.000 0.783 237 E N -0.803 119.400 120.200 0.005 0.000 2.072 237 E HA -0.149 4.201 4.350 0.001 0.000 0.191 237 E C 1.446 178.067 176.600 0.034 0.000 0.985 237 E CA 1.958 58.369 56.400 0.019 0.000 0.801 237 E CB -0.078 29.635 29.700 0.020 0.000 0.750 237 E HN 0.324 nan 8.360 nan 0.000 0.452 238 T N -4.826 109.753 114.554 0.042 0.000 2.969 238 T HA 0.343 4.693 4.350 0.001 0.000 0.250 238 T C 1.442 176.157 174.700 0.026 0.000 1.021 238 T CA 0.617 62.746 62.100 0.047 0.000 1.003 238 T CB 0.993 69.918 68.868 0.096 0.000 1.040 238 T HN 0.299 nan 8.240 nan 0.000 0.492 239 G N 1.189 110.003 108.800 0.024 0.000 2.194 239 G HA2 -0.229 3.732 3.960 0.001 0.000 0.236 239 G HA3 -0.229 3.732 3.960 0.001 0.000 0.236 239 G C -0.029 174.845 174.900 -0.043 0.000 0.987 239 G CA 0.009 45.119 45.100 0.017 0.000 0.635 239 G HN 0.686 nan 8.290 nan 0.000 0.520 240 Q N 1.097 120.876 119.800 -0.036 0.000 2.443 240 Q HA 0.514 4.855 4.340 0.001 0.000 0.232 240 Q C 1.015 176.921 176.000 -0.157 0.000 1.026 240 Q CA 0.543 56.298 55.803 -0.079 0.000 0.924 240 Q CB 0.659 29.430 28.738 0.056 0.000 1.256 240 Q HN 0.533 nan 8.270 nan 0.000 0.519 241 T N -2.367 112.023 114.554 -0.273 0.000 2.881 241 T HA 0.242 4.593 4.350 0.001 0.000 0.278 241 T C 0.763 175.428 174.700 -0.059 0.000 0.982 241 T CA -0.845 61.066 62.100 -0.316 0.000 0.989 241 T CB 1.013 69.510 68.868 -0.618 0.000 1.058 241 T HN 0.482 nan 8.240 nan 0.000 0.529 242 K N -0.057 120.342 120.400 -0.000 0.000 2.147 242 K HA -0.137 4.183 4.320 0.001 0.000 0.205 242 K C 2.154 178.863 176.600 0.181 0.000 1.049 242 K CA 1.463 57.812 56.287 0.103 0.000 0.936 242 K CB -0.122 32.418 32.500 0.067 0.000 0.722 242 K HN 0.719 nan 8.250 nan 0.000 0.446 243 E N 1.296 121.546 120.200 0.083 0.000 2.106 243 E HA -0.164 4.186 4.350 0.001 0.000 0.192 243 E C 1.437 178.079 176.600 0.070 0.000 0.984 243 E CA 1.437 57.883 56.400 0.076 0.000 0.806 243 E CB 0.175 29.889 29.700 0.023 0.000 0.750 243 E HN 0.273 nan 8.360 nan 0.000 0.458 244 E N -1.022 119.199 120.200 0.035 0.000 2.072 244 E HA -0.143 4.208 4.350 0.001 0.000 0.190 244 E C 1.608 178.272 176.600 0.107 0.000 0.982 244 E CA 0.885 57.302 56.400 0.029 0.000 0.803 244 E CB -0.334 29.339 29.700 -0.045 0.000 0.755 244 E HN 0.392 nan 8.360 nan 0.000 0.453 245 W N 2.306 123.597 121.300 -0.016 0.000 2.363 245 W HA -0.157 4.503 4.660 0.001 0.000 0.296 245 W C 1.549 178.106 176.519 0.063 0.000 1.212 245 W CA 1.379 58.743 57.345 0.032 0.000 1.260 245 W CB 0.125 29.598 29.460 0.021 0.000 1.131 245 W HN -0.165 nan 8.180 nan 0.000 0.530 246 K N -0.161 120.320 120.400 0.135 0.000 2.360 246 K HA -0.083 4.238 4.320 0.001 0.000 0.201 246 K C 2.230 178.760 176.600 -0.117 0.000 1.046 246 K CA 0.975 57.233 56.287 -0.047 0.000 0.945 246 K CB -0.653 31.919 32.500 0.120 0.000 0.750 246 K HN 0.358 nan 8.250 nan 0.000 0.464 247 G N 0.400 109.169 108.800 -0.052 0.000 2.414 247 G HA2 -0.278 3.682 3.960 0.001 0.000 0.215 247 G HA3 -0.278 3.682 3.960 0.001 0.000 0.215 247 G C 1.328 176.215 174.900 -0.023 0.000 1.188 247 G CA 0.547 45.639 45.100 -0.013 0.000 0.783 247 G HN 0.353 nan 8.290 nan 0.000 0.537 248 Y N 1.501 121.661 120.300 -0.233 0.000 2.163 248 Y HA 0.036 4.587 4.550 0.001 0.000 0.288 248 Y C 3.082 178.779 175.900 -0.338 0.000 1.136 248 Y CA 1.188 59.141 58.100 -0.246 0.000 1.147 248 Y CB 0.010 38.321 38.460 -0.249 0.000 0.987 248 Y HN 0.278 nan 8.280 nan 0.000 0.509 249 A N 0.412 122.882 122.820 -0.583 0.000 1.858 249 A HA -0.208 4.112 4.320 0.001 0.000 0.216 249 A C 1.974 179.300 177.584 -0.429 0.000 1.190 249 A CA 2.022 53.626 52.037 -0.722 0.000 0.617 249 A CB -0.688 17.509 19.000 -1.340 0.000 0.827 249 A HN 0.625 nan 8.150 nan 0.000 0.443 250 E N -1.003 119.005 120.200 -0.320 0.000 2.112 250 E HA -0.080 4.271 4.350 0.001 0.000 0.190 250 E C 2.036 178.536 176.600 -0.168 0.000 0.979 250 E CA 1.259 57.548 56.400 -0.185 0.000 0.814 250 E CB -0.279 29.358 29.700 -0.105 0.000 0.762 250 E HN 0.576 nan 8.360 nan 0.000 0.460 251 T N 1.662 116.108 114.554 -0.180 0.000 2.720 251 T HA -0.112 4.239 4.350 0.001 0.000 0.268 251 T C 1.578 176.129 174.700 -0.249 0.000 1.037 251 T CA 1.053 63.019 62.100 -0.224 0.000 1.144 251 T CB -0.144 68.604 68.868 -0.201 0.000 0.864 251 T HN 0.135 nan 8.240 nan 0.000 0.444 252 N N 0.583 119.150 118.700 -0.223 0.000 2.354 252 N HA 0.006 4.746 4.740 0.001 0.000 0.179 252 N C 1.839 177.250 175.510 -0.165 0.000 1.021 252 N CA 0.649 53.578 53.050 -0.202 0.000 0.887 252 N CB -0.019 38.322 38.487 -0.244 0.000 0.974 252 N HN 0.415 nan 8.380 nan 0.000 0.437 253 K N 1.127 121.431 120.400 -0.161 0.000 2.167 253 K HA 0.117 4.437 4.320 0.001 0.000 0.203 253 K C 2.010 178.564 176.600 -0.078 0.000 1.052 253 K CA 0.345 56.566 56.287 -0.109 0.000 0.956 253 K CB 0.133 32.573 32.500 -0.100 0.000 0.735 253 K HN -0.009 nan 8.250 nan 0.000 0.451 254 I N 1.096 121.610 120.570 -0.093 0.000 2.142 254 I HA -0.282 3.889 4.170 0.001 0.000 0.240 254 I C 1.821 177.898 176.117 -0.066 0.000 1.078 254 I CA 1.240 62.499 61.300 -0.068 0.000 1.343 254 I CB -0.087 37.858 38.000 -0.093 0.000 1.046 254 I HN 0.151 nan 8.210 nan 0.000 0.405 255 L N 0.413 121.565 121.223 -0.117 0.000 2.552 255 L HA 0.095 4.436 4.340 0.001 0.000 0.227 255 L C 1.501 178.348 176.870 -0.038 0.000 1.146 255 L CA 0.611 55.392 54.840 -0.098 0.000 0.858 255 L CB -0.599 41.348 42.059 -0.187 0.000 0.969 255 L HN 0.534 nan 8.230 nan 0.000 0.451 256 G N 0.535 109.312 108.800 -0.037 0.000 2.147 256 G HA2 -0.283 3.678 3.960 0.001 0.000 0.244 256 G HA3 -0.283 3.678 3.960 0.001 0.000 0.244 256 G C 0.422 175.309 174.900 -0.020 0.000 1.005 256 G CA 0.101 45.194 45.100 -0.012 0.000 0.713 256 G HN 0.348 nan 8.290 nan 0.000 0.515 257 L N 0.535 121.730 121.223 -0.047 0.000 2.984 257 L HA 0.253 4.594 4.340 0.001 0.000 0.246 257 L C 1.971 178.800 176.870 -0.069 0.000 1.268 257 L CA 0.260 55.075 54.840 -0.041 0.000 1.054 257 L CB 0.492 42.534 42.059 -0.028 0.000 1.393 257 L HN 0.165 nan 8.230 nan 0.000 0.532 258 S N -0.165 115.486 115.700 -0.082 0.000 2.474 258 S HA -0.115 4.356 4.470 0.001 0.000 0.235 258 S C 1.263 175.816 174.600 -0.078 0.000 0.997 258 S CA 0.915 59.049 58.200 -0.109 0.000 0.949 258 S CB -0.007 63.132 63.200 -0.101 0.000 0.766 258 S HN 0.470 nan 8.310 nan 0.000 0.517 259 D N 1.653 122.027 120.400 -0.044 0.000 2.213 259 D HA 0.075 4.716 4.640 0.001 0.000 0.205 259 D C 0.383 176.676 176.300 -0.012 0.000 0.961 259 D CA 0.754 54.741 54.000 -0.023 0.000 0.853 259 D CB 0.024 40.818 40.800 -0.010 0.000 0.967 259 D HN 0.312 nan 8.370 nan 0.000 0.496 260 N N 1.178 119.872 118.700 -0.010 0.000 2.750 260 N HA 0.217 4.958 4.740 0.001 0.000 0.253 260 N C -2.742 172.778 175.510 0.016 0.000 1.408 260 N CA -0.829 52.228 53.050 0.011 0.000 0.780 260 N CB 2.228 40.726 38.487 0.019 0.000 1.191 260 N HN -0.025 nan 8.380 nan 0.000 0.511 261 P HA 0.200 nan 4.420 nan 0.000 0.269 261 P C -0.044 177.345 177.300 0.148 0.000 1.209 261 P CA 0.058 63.163 63.100 0.007 0.000 0.776 261 P CB 1.190 32.804 31.700 -0.143 0.000 0.876 262 I N 4.493 125.174 120.570 0.184 0.000 2.321 262 I HA 0.246 4.417 4.170 0.001 0.000 0.291 262 I C -2.164 174.172 176.117 0.366 0.000 0.998 262 I CA -2.615 58.838 61.300 0.254 0.000 1.227 262 I CB 1.656 39.829 38.000 0.289 0.000 1.368 262 I HN 0.125 nan 8.210 nan 0.000 0.466 263 P HA 0.071 nan 4.420 nan 0.000 0.266 263 P C -0.968 176.427 177.300 0.158 0.000 1.215 263 P CA 0.100 63.273 63.100 0.120 0.000 0.763 263 P CB 0.522 32.204 31.700 -0.030 0.000 0.806 264 V N 4.668 124.659 119.914 0.127 0.000 2.447 264 V HA 0.458 4.578 4.120 0.001 0.000 0.292 264 V C -0.405 175.707 176.094 0.029 0.000 1.021 264 V CA -0.172 62.206 62.300 0.131 0.000 0.850 264 V CB 1.811 33.734 31.823 0.168 0.000 1.005 264 V HN 0.455 nan 8.190 nan 0.000 0.426 265 D N 2.190 122.594 120.400 0.006 0.000 2.609 265 D HA 0.848 5.488 4.640 0.001 0.000 0.239 265 D C -0.002 176.298 176.300 -0.001 0.000 1.229 265 D CA 0.670 54.647 54.000 -0.038 0.000 0.808 265 D CB 2.768 43.482 40.800 -0.142 0.000 1.448 265 D HN 0.797 nan 8.370 nan 0.000 0.433 266 G N -0.020 108.772 108.800 -0.013 0.000 2.360 266 G HA2 0.322 4.283 3.960 0.001 0.000 0.276 266 G HA3 0.322 4.283 3.960 0.001 0.000 0.276 266 G C -1.843 173.036 174.900 -0.035 0.000 1.256 266 G CA -0.715 44.381 45.100 -0.005 0.000 0.890 266 G HN 0.436 nan 8.290 nan 0.000 0.486 267 L N 0.200 121.399 121.223 -0.040 0.000 2.325 267 L HA 0.512 4.853 4.340 0.001 0.000 0.281 267 L C -0.459 176.354 176.870 -0.095 0.000 1.004 267 L CA -0.784 54.008 54.840 -0.079 0.000 0.823 267 L CB 1.909 43.922 42.059 -0.076 0.000 1.236 267 L HN 0.510 nan 8.230 nan 0.000 0.415 268 C N 3.919 123.152 119.300 -0.111 0.000 2.246 268 C HA 0.550 5.011 4.460 0.001 0.000 0.329 268 C C 0.433 175.353 174.990 -0.116 0.000 1.221 268 C CA -0.691 58.260 59.018 -0.113 0.000 1.697 268 C CB 0.232 27.916 27.740 -0.093 0.000 2.312 268 C HN 0.472 nan 8.230 nan 0.000 0.509 269 V N 4.341 124.169 119.914 -0.143 0.000 2.555 269 V HA 0.498 4.619 4.120 0.001 0.000 0.302 269 V C 0.050 176.076 176.094 -0.113 0.000 1.038 269 V CA -0.744 61.480 62.300 -0.127 0.000 0.887 269 V CB 1.730 33.440 31.823 -0.187 0.000 0.991 269 V HN 0.781 nan 8.190 nan 0.000 0.434 270 R N 4.073 124.533 120.500 -0.067 0.000 2.254 270 R HA 0.695 5.036 4.340 0.001 0.000 0.318 270 R C -0.465 175.786 176.300 -0.082 0.000 1.031 270 R CA -0.216 55.846 56.100 -0.064 0.000 0.905 270 R CB 0.696 30.965 30.300 -0.052 0.000 1.050 270 R HN 0.820 nan 8.270 nan 0.000 0.456 271 I N -0.061 120.486 120.570 -0.038 0.000 3.170 271 I HA 0.632 4.803 4.170 0.001 0.000 0.312 271 I C 0.626 176.737 176.117 -0.010 0.000 1.085 271 I CA -1.218 60.078 61.300 -0.007 0.000 0.999 271 I CB 2.089 40.143 38.000 0.090 0.000 1.233 271 I HN 0.589 nan 8.210 nan 0.000 0.467 272 G N 1.716 110.521 108.800 0.009 0.000 3.353 272 G HA2 0.524 4.484 3.960 0.001 0.000 0.247 272 G HA3 0.524 4.484 3.960 0.001 0.000 0.247 272 G C 0.025 174.961 174.900 0.060 0.000 1.025 272 G CA 0.159 45.271 45.100 0.020 0.000 1.863 272 G HN 0.893 nan 8.290 nan 0.000 0.635 273 A N -0.062 122.808 122.820 0.084 0.000 2.337 273 A HA 0.749 5.070 4.320 0.001 0.000 0.331 273 A C 0.975 178.627 177.584 0.113 0.000 1.137 273 A CA -0.712 51.386 52.037 0.103 0.000 0.807 273 A CB 1.275 20.353 19.000 0.130 0.000 1.250 273 A HN 0.229 nan 8.150 nan 0.000 0.468 274 L N 0.136 121.418 121.223 0.099 0.000 2.071 274 L HA 0.064 4.405 4.340 0.001 0.000 0.201 274 L C 2.198 179.124 176.870 0.093 0.000 1.076 274 L CA 1.605 56.502 54.840 0.094 0.000 0.755 274 L CB -0.091 42.009 42.059 0.069 0.000 0.915 274 L HN 0.964 nan 8.230 nan 0.000 0.445 275 R N -2.221 118.324 120.500 0.075 0.000 2.569 275 R HA 0.286 4.626 4.340 0.001 0.000 0.422 275 R C -0.632 175.678 176.300 0.017 0.000 0.980 275 R CA -0.379 55.745 56.100 0.040 0.000 1.164 275 R CB -0.304 30.006 30.300 0.015 0.000 1.520 275 R HN 0.068 nan 8.270 nan 0.000 0.567 276 C N 2.117 121.465 119.300 0.080 0.000 2.408 276 C HA 0.532 4.993 4.460 0.001 0.000 0.321 276 C C -0.762 174.366 174.990 0.230 0.000 1.245 276 C CA -0.737 58.338 59.018 0.094 0.000 1.523 276 C CB 0.783 28.581 27.740 0.098 0.000 2.178 276 C HN 0.416 nan 8.230 nan 0.000 0.488 277 H N 1.253 120.368 119.070 0.075 0.000 2.489 277 H HA 0.509 5.066 4.556 0.001 0.000 0.322 277 H C -0.030 175.314 175.328 0.027 0.000 1.091 277 H CA 0.121 56.212 56.048 0.070 0.000 1.291 277 H CB 1.283 31.088 29.762 0.070 0.000 1.436 277 H HN 0.591 nan 8.280 nan 0.000 0.480 278 S N 3.033 118.808 115.700 0.125 0.000 2.537 278 S HA 0.534 5.005 4.470 0.001 0.000 0.301 278 S C -0.373 174.114 174.600 -0.190 0.000 1.092 278 S CA -0.915 57.215 58.200 -0.117 0.000 1.048 278 S CB 1.804 64.956 63.200 -0.081 0.000 1.053 278 S HN 0.525 nan 8.310 nan 0.000 0.501 279 Q N 0.703 120.109 119.800 -0.656 0.000 2.331 279 Q HA 0.677 5.017 4.340 0.001 0.000 0.272 279 Q C -1.358 173.957 176.000 -1.141 0.000 1.062 279 Q CA -0.790 54.624 55.803 -0.649 0.000 0.806 279 Q CB 2.347 30.740 28.738 -0.576 0.000 1.312 279 Q HN 0.742 nan 8.270 nan 0.000 0.431 280 A N 2.787 125.274 122.820 -0.555 0.000 2.303 280 A HA 0.840 5.161 4.320 0.001 0.000 0.320 280 A C -1.227 176.195 177.584 -0.270 0.000 1.192 280 A CA -0.333 51.548 52.037 -0.260 0.000 0.821 280 A CB 0.313 19.500 19.000 0.312 0.000 1.188 280 A HN 0.618 nan 8.150 nan 0.000 0.492 281 F N 0.285 120.312 119.950 0.127 0.000 2.579 281 F HA 0.639 5.167 4.527 0.001 0.000 0.324 281 F C 0.548 176.425 175.800 0.128 0.000 1.058 281 F CA -0.724 57.344 58.000 0.114 0.000 0.944 281 F CB 2.858 41.900 39.000 0.069 0.000 1.245 281 F HN 0.355 nan 8.300 nan 0.000 0.477 282 T N 3.032 117.812 114.554 0.376 0.000 2.963 282 T HA 0.501 4.852 4.350 0.001 0.000 0.328 282 T C -0.607 174.198 174.700 0.175 0.000 1.048 282 T CA -0.339 61.929 62.100 0.280 0.000 1.033 282 T CB 0.291 69.368 68.868 0.348 0.000 1.010 282 T HN 0.299 nan 8.240 nan 0.000 0.469 283 I N 3.218 123.787 120.570 -0.002 0.000 2.312 283 I HA 0.411 4.582 4.170 0.001 0.000 0.290 283 I C 0.187 176.004 176.117 -0.501 0.000 1.008 283 I CA -0.964 60.194 61.300 -0.236 0.000 1.226 283 I CB 1.215 39.079 38.000 -0.226 0.000 1.371 283 I HN 0.188 nan 8.210 nan 0.000 0.468 284 K N 7.842 127.677 120.400 -0.942 0.000 2.267 284 K HA 0.483 4.804 4.320 0.001 0.000 0.282 284 K C -1.068 175.053 176.600 -0.799 0.000 1.078 284 K CA -0.061 55.482 56.287 -1.239 0.000 0.903 284 K CB 0.356 31.525 32.500 -2.218 0.000 1.111 284 K HN 0.527 nan 8.250 nan 0.000 0.475 285 L N 4.729 125.597 121.223 -0.592 0.000 2.379 285 L HA 0.350 4.691 4.340 0.001 0.000 0.269 285 L C 1.204 177.871 176.870 -0.338 0.000 1.084 285 L CA -0.580 54.019 54.840 -0.402 0.000 0.802 285 L CB 1.210 43.094 42.059 -0.291 0.000 1.175 285 L HN 0.676 nan 8.230 nan 0.000 0.448 286 K N 0.967 121.217 120.400 -0.249 0.000 2.365 286 K HA -0.035 4.285 4.320 0.001 0.000 0.199 286 K C -0.172 176.346 176.600 -0.137 0.000 1.045 286 K CA 0.866 57.046 56.287 -0.178 0.000 0.962 286 K CB 0.094 32.513 32.500 -0.135 0.000 0.759 286 K HN 0.502 nan 8.250 nan 0.000 0.469 287 K N 0.128 120.446 120.400 -0.136 0.000 2.532 287 K HA 0.210 4.530 4.320 0.001 0.000 0.265 287 K C -1.698 174.845 176.600 -0.095 0.000 0.948 287 K CA -1.008 55.220 56.287 -0.098 0.000 0.842 287 K CB 1.627 34.082 32.500 -0.075 0.000 1.392 287 K HN -0.319 nan 8.250 nan 0.000 0.436 288 D N 2.579 122.938 120.400 -0.068 0.000 2.336 288 D HA 0.268 4.908 4.640 0.001 0.000 0.249 288 D C -0.913 175.360 176.300 -0.045 0.000 1.213 288 D CA -0.047 53.922 54.000 -0.052 0.000 0.870 288 D CB 0.357 41.139 40.800 -0.031 0.000 1.076 288 D HN 0.517 nan 8.370 nan 0.000 0.483 289 L N 4.584 125.778 121.223 -0.048 0.000 2.370 289 L HA 0.501 4.842 4.340 0.001 0.000 0.266 289 L C -2.118 174.734 176.870 -0.030 0.000 1.002 289 L CA -2.225 52.591 54.840 -0.040 0.000 0.818 289 L CB 2.323 44.351 42.059 -0.051 0.000 1.325 289 L HN 0.266 nan 8.230 nan 0.000 0.418 290 P HA 0.090 nan 4.420 nan 0.000 0.269 290 P C 0.798 178.089 177.300 -0.016 0.000 1.209 290 P CA -0.251 62.839 63.100 -0.016 0.000 0.776 290 P CB 0.838 32.530 31.700 -0.013 0.000 0.876 291 L N 1.472 122.689 121.223 -0.010 0.000 2.042 291 L HA -0.229 4.112 4.340 0.001 0.000 0.210 291 L C 2.172 179.039 176.870 -0.006 0.000 1.076 291 L CA 1.810 56.646 54.840 -0.006 0.000 0.749 291 L CB -0.298 41.762 42.059 0.001 0.000 0.893 291 L HN 0.568 nan 8.230 nan 0.000 0.432 292 E N -0.241 119.956 120.200 -0.005 0.000 2.153 292 E HA -0.296 4.055 4.350 0.001 0.000 0.194 292 E C 2.005 178.601 176.600 -0.007 0.000 0.988 292 E CA 1.344 57.742 56.400 -0.004 0.000 0.811 292 E CB 0.091 29.789 29.700 -0.003 0.000 0.746 292 E HN 0.458 nan 8.360 nan 0.000 0.466 293 E N 0.092 120.285 120.200 -0.011 0.000 2.072 293 E HA -0.149 4.202 4.350 0.001 0.000 0.190 293 E C 2.086 178.675 176.600 -0.018 0.000 0.982 293 E CA 0.827 57.218 56.400 -0.015 0.000 0.803 293 E CB 0.011 29.700 29.700 -0.019 0.000 0.755 293 E HN 0.317 nan 8.360 nan 0.000 0.453 294 I N 1.085 121.641 120.570 -0.023 0.000 2.286 294 I HA -0.252 3.919 4.170 0.001 0.000 0.248 294 I C 2.158 178.266 176.117 -0.017 0.000 1.115 294 I CA 1.213 62.495 61.300 -0.030 0.000 1.392 294 I CB -0.171 37.807 38.000 -0.037 0.000 1.065 294 I HN 0.139 nan 8.210 nan 0.000 0.418 295 E N 0.311 120.508 120.200 -0.005 0.000 2.110 295 E HA -0.255 4.095 4.350 0.001 0.000 0.193 295 E C 2.204 178.809 176.600 0.007 0.000 0.988 295 E CA 1.043 57.446 56.400 0.006 0.000 0.804 295 E CB -0.048 29.657 29.700 0.009 0.000 0.745 295 E HN 0.568 nan 8.360 nan 0.000 0.458 296 Q N 0.156 119.957 119.800 0.002 0.000 2.137 296 Q HA -0.054 4.287 4.340 0.001 0.000 0.198 296 Q C 2.201 178.206 176.000 0.007 0.000 0.960 296 Q CA 0.724 56.529 55.803 0.003 0.000 0.847 296 Q CB 0.095 28.832 28.738 -0.002 0.000 0.915 296 Q HN 0.317 nan 8.270 nan 0.000 0.448 297 I N 0.410 120.980 120.570 0.000 0.000 2.252 297 I HA -0.273 3.898 4.170 0.001 0.000 0.245 297 I C 2.074 178.201 176.117 0.018 0.000 1.102 297 I CA 1.092 62.394 61.300 0.003 0.000 1.385 297 I CB -0.104 37.884 38.000 -0.020 0.000 1.064 297 I HN 0.209 nan 8.210 nan 0.000 0.414 298 I N 0.577 121.152 120.570 0.008 0.000 2.202 298 I HA -0.263 3.908 4.170 0.001 0.000 0.242 298 I C 2.779 178.928 176.117 0.053 0.000 1.091 298 I CA 1.352 62.661 61.300 0.016 0.000 1.368 298 I CB -0.430 37.577 38.000 0.011 0.000 1.058 298 I HN 0.161 nan 8.210 nan 0.000 0.410 299 A N -0.080 122.764 122.820 0.041 0.000 1.933 299 A HA -0.177 4.144 4.320 0.001 0.000 0.218 299 A C 2.409 180.016 177.584 0.037 0.000 1.175 299 A CA 2.043 54.103 52.037 0.038 0.000 0.628 299 A CB -0.649 18.364 19.000 0.021 0.000 0.814 299 A HN 0.388 nan 8.150 nan 0.000 0.444 300 S N -1.315 114.408 115.700 0.039 0.000 2.481 300 S HA -0.107 4.364 4.470 0.001 0.000 0.231 300 S C 1.767 176.391 174.600 0.040 0.000 0.996 300 S CA 0.632 58.847 58.200 0.024 0.000 0.942 300 S CB -0.541 62.670 63.200 0.018 0.000 0.768 300 S HN 0.750 nan 8.310 nan 0.000 0.520 301 H N 2.666 121.731 119.070 -0.009 0.000 2.290 301 H HA -0.083 4.473 4.556 0.001 0.000 0.298 301 H C 0.541 175.872 175.328 0.004 0.000 1.087 301 H CA 1.849 57.898 56.048 0.001 0.000 1.291 301 H CB 0.094 29.863 29.762 0.011 0.000 1.369 301 H HN 0.602 nan 8.280 nan 0.000 0.492 302 N N -1.389 117.302 118.700 -0.015 0.000 2.732 302 N HA 0.009 4.750 4.740 0.001 0.000 0.259 302 N C -0.018 175.418 175.510 -0.125 0.000 1.402 302 N CA -0.380 52.635 53.050 -0.058 0.000 0.829 302 N CB 0.711 39.285 38.487 0.145 0.000 1.495 302 N HN 0.198 nan 8.380 nan 0.000 0.511 303 E N -0.983 118.964 120.200 -0.421 0.000 2.502 303 E HA -0.006 4.344 4.350 0.001 0.000 0.194 303 E C -0.155 176.115 176.600 -0.550 0.000 1.062 303 E CA 0.161 56.217 56.400 -0.573 0.000 0.867 303 E CB -0.133 29.087 29.700 -0.800 0.000 0.888 303 E HN 0.647 nan 8.360 nan 0.000 0.510 304 W N 1.145 122.450 121.300 0.008 0.000 2.762 304 W HA 0.271 4.931 4.660 0.001 0.000 0.265 304 W C 0.944 177.474 176.519 0.019 0.000 1.263 304 W CA -0.510 56.860 57.345 0.042 0.000 1.411 304 W CB 0.130 29.616 29.460 0.043 0.000 1.065 304 W HN -0.088 nan 8.180 nan 0.000 0.609 305 V N 3.091 123.115 119.914 0.185 0.000 2.655 305 V HA 0.093 4.213 4.120 0.001 0.000 0.300 305 V C -0.018 176.128 176.094 0.086 0.000 1.044 305 V CA 0.469 62.842 62.300 0.123 0.000 1.095 305 V CB 0.941 32.827 31.823 0.106 0.000 0.952 305 V HN -0.044 nan 8.190 nan 0.000 0.485 306 K N 5.397 125.850 120.400 0.087 0.000 2.545 306 K HA 0.494 4.814 4.320 0.001 0.000 0.252 306 K C -1.427 175.212 176.600 0.065 0.000 0.948 306 K CA -0.692 55.635 56.287 0.067 0.000 0.827 306 K CB 1.933 34.477 32.500 0.074 0.000 1.128 306 K HN 0.564 nan 8.250 nan 0.000 0.429 307 V N 6.007 125.952 119.914 0.051 0.000 2.427 307 V HA 0.159 4.279 4.120 0.001 0.000 0.268 307 V C 0.257 176.378 176.094 0.046 0.000 1.046 307 V CA -0.430 61.900 62.300 0.050 0.000 0.970 307 V CB 0.626 32.471 31.823 0.038 0.000 1.001 307 V HN 0.604 nan 8.190 nan 0.000 0.476 308 I N 8.559 129.161 120.570 0.054 0.000 2.304 308 I HA 0.344 4.515 4.170 0.001 0.000 0.291 308 I C -1.742 174.397 176.117 0.037 0.000 1.018 308 I CA -2.908 58.419 61.300 0.046 0.000 1.260 308 I CB 1.112 39.145 38.000 0.056 0.000 1.390 308 I HN 0.414 nan 8.210 nan 0.000 0.475 309 P HA 0.020 nan 4.420 nan 0.000 0.269 309 P C -0.115 177.195 177.300 0.016 0.000 1.209 309 P CA -0.295 62.818 63.100 0.020 0.000 0.776 309 P CB 0.676 32.385 31.700 0.014 0.000 0.876 310 N N 1.686 120.395 118.700 0.014 0.000 2.892 310 N HA 0.040 4.780 4.740 0.001 0.000 0.300 310 N C -0.855 174.655 175.510 0.000 0.000 1.211 310 N CA 0.328 53.383 53.050 0.008 0.000 1.158 310 N CB -0.862 37.631 38.487 0.010 0.000 1.455 310 N HN 0.388 nan 8.380 nan 0.000 0.524 311 D N -0.491 119.908 120.400 -0.002 0.000 2.671 311 D HA 0.211 4.851 4.640 0.001 0.000 0.232 311 D C 0.785 177.078 176.300 -0.012 0.000 1.114 311 D CA -0.708 53.289 54.000 -0.006 0.000 0.858 311 D CB 1.403 42.202 40.800 -0.001 0.000 1.544 311 D HN 0.049 nan 8.370 nan 0.000 0.471 312 K N 1.709 122.100 120.400 -0.016 0.000 1.985 312 K HA -0.176 4.145 4.320 0.001 0.000 0.210 312 K C 1.495 178.084 176.600 -0.018 0.000 1.047 312 K CA 1.333 57.606 56.287 -0.022 0.000 0.932 312 K CB 0.054 32.541 32.500 -0.022 0.000 0.716 312 K HN 0.588 nan 8.250 nan 0.000 0.439 313 E N 0.396 120.589 120.200 -0.011 0.000 2.085 313 E HA -0.206 4.145 4.350 0.001 0.000 0.194 313 E C 1.966 178.564 176.600 -0.003 0.000 0.994 313 E CA 1.614 58.010 56.400 -0.007 0.000 0.801 313 E CB -0.071 29.627 29.700 -0.003 0.000 0.743 313 E HN 0.413 nan 8.360 nan 0.000 0.453 314 I N 0.171 120.740 120.570 -0.001 0.000 2.353 314 I HA -0.182 3.988 4.170 0.001 0.000 0.248 314 I C 2.381 178.501 176.117 0.005 0.000 1.119 314 I CA 1.020 62.323 61.300 0.005 0.000 1.417 314 I CB -0.300 37.705 38.000 0.009 0.000 1.078 314 I HN 0.081 nan 8.210 nan 0.000 0.421 315 T N 1.343 115.894 114.554 -0.005 0.000 2.737 315 T HA -0.095 4.255 4.350 0.001 0.000 0.265 315 T C 1.884 176.572 174.700 -0.020 0.000 1.038 315 T CA 1.201 63.293 62.100 -0.014 0.000 1.144 315 T CB -0.226 68.619 68.868 -0.039 0.000 0.866 315 T HN 0.081 nan 8.240 nan 0.000 0.434 316 L N 0.737 121.945 121.223 -0.024 0.000 2.131 316 L HA 0.063 4.403 4.340 0.001 0.000 0.210 316 L C 2.508 179.375 176.870 -0.004 0.000 1.092 316 L CA 1.511 56.338 54.840 -0.023 0.000 0.759 316 L CB -0.503 41.543 42.059 -0.022 0.000 0.903 316 L HN 0.120 nan 8.230 nan 0.000 0.435 317 R N -1.080 119.423 120.500 0.004 0.000 2.127 317 R HA -0.038 4.302 4.340 0.001 0.000 0.217 317 R C 1.719 178.034 176.300 0.024 0.000 1.074 317 R CA 0.810 56.918 56.100 0.013 0.000 0.991 317 R CB 0.282 30.590 30.300 0.013 0.000 0.895 317 R HN 0.287 nan 8.270 nan 0.000 0.450 318 E N -0.006 120.211 120.200 0.027 0.000 2.256 318 E HA -0.020 4.331 4.350 0.001 0.000 0.198 318 E C 0.217 176.852 176.600 0.059 0.000 0.908 318 E CA 0.165 56.591 56.400 0.043 0.000 0.915 318 E CB 0.182 29.908 29.700 0.043 0.000 0.890 318 E HN 0.095 nan 8.360 nan 0.000 0.484 319 L N 2.758 124.015 121.223 0.057 0.000 2.648 319 L HA 0.170 4.511 4.340 0.001 0.000 0.238 319 L C -0.415 176.511 176.870 0.094 0.000 1.316 319 L CA 0.234 55.130 54.840 0.094 0.000 1.241 319 L CB -0.525 41.596 42.059 0.104 0.000 1.499 319 L HN 0.004 nan 8.230 nan 0.000 0.411 320 T N -2.730 111.875 114.554 0.084 0.000 2.868 320 T HA 0.462 4.812 4.350 0.001 0.000 0.306 320 T C -2.373 172.376 174.700 0.081 0.000 1.224 320 T CA -1.509 60.636 62.100 0.074 0.000 1.012 320 T CB 1.729 70.619 68.868 0.037 0.000 1.221 320 T HN -0.173 nan 8.240 nan 0.000 0.499 321 P HA 0.051 nan 4.420 nan 0.000 0.220 321 P C 1.633 178.973 177.300 0.066 0.000 1.148 321 P CA 1.218 64.367 63.100 0.082 0.000 0.803 321 P CB -0.171 31.582 31.700 0.090 0.000 0.782 322 A N -0.045 122.808 122.820 0.055 0.000 1.902 322 A HA -0.237 4.084 4.320 0.001 0.000 0.217 322 A C 2.257 179.869 177.584 0.046 0.000 1.181 322 A CA 2.162 54.226 52.037 0.045 0.000 0.623 322 A CB -0.931 18.091 19.000 0.036 0.000 0.818 322 A HN 0.087 nan 8.150 nan 0.000 0.443 323 K N -0.176 120.254 120.400 0.050 0.000 2.076 323 K HA -0.020 4.301 4.320 0.001 0.000 0.204 323 K C 1.707 178.345 176.600 0.062 0.000 1.051 323 K CA 1.609 57.928 56.287 0.052 0.000 0.949 323 K CB -0.435 32.096 32.500 0.053 0.000 0.726 323 K HN 0.417 nan 8.250 nan 0.000 0.443 324 V N -0.137 119.820 119.914 0.072 0.000 3.406 324 V HA 0.114 4.235 4.120 0.001 0.000 0.263 324 V C -0.013 176.125 176.094 0.073 0.000 1.172 324 V CA 0.406 62.756 62.300 0.083 0.000 1.140 324 V CB -0.710 31.174 31.823 0.102 0.000 0.784 324 V HN 0.179 nan 8.190 nan 0.000 0.467 325 T N 2.526 117.116 114.554 0.060 0.000 2.822 325 T HA 0.385 4.736 4.350 0.001 0.000 0.288 325 T C 1.269 175.992 174.700 0.038 0.000 0.991 325 T CA 1.268 63.396 62.100 0.047 0.000 1.176 325 T CB 0.034 68.928 68.868 0.044 0.000 0.951 325 T HN 1.376 nan 8.240 nan 0.000 0.526 326 G N 3.078 111.893 108.800 0.026 0.000 2.162 326 G HA2 -0.266 3.695 3.960 0.001 0.000 0.260 326 G HA3 -0.266 3.695 3.960 0.001 0.000 0.260 326 G C 0.355 175.266 174.900 0.019 0.000 0.976 326 G CA 0.414 45.521 45.100 0.013 0.000 0.655 326 G HN 1.159 nan 8.290 nan 0.000 0.533 327 T N -2.182 112.399 114.554 0.045 0.000 2.950 327 T HA 0.723 5.074 4.350 0.001 0.000 0.288 327 T C 1.241 176.001 174.700 0.101 0.000 1.035 327 T CA -0.569 61.576 62.100 0.075 0.000 1.028 327 T CB 1.822 70.751 68.868 0.102 0.000 1.109 327 T HN 0.272 nan 8.240 nan 0.000 0.514 328 L N 0.982 122.302 121.223 0.162 0.000 2.591 328 L HA 0.228 4.569 4.340 0.001 0.000 0.228 328 L C 1.527 178.715 176.870 0.531 0.000 1.133 328 L CA -0.153 54.851 54.840 0.272 0.000 0.880 328 L CB -0.044 42.190 42.059 0.292 0.000 1.033 328 L HN 0.696 nan 8.230 nan 0.000 0.450 329 S N 0.287 116.204 115.700 0.363 0.000 2.549 329 S HA 0.268 4.738 4.470 0.001 0.000 0.279 329 S C -0.013 174.749 174.600 0.269 0.000 1.321 329 S CA -0.400 57.992 58.200 0.321 0.000 1.054 329 S CB 0.948 64.274 63.200 0.209 0.000 0.899 329 S HN -0.008 nan 8.310 nan 0.000 0.497 330 V N 8.320 128.374 119.914 0.235 0.000 2.266 330 V HA 0.358 4.478 4.120 0.001 0.000 0.266 330 V C -2.123 174.049 176.094 0.130 0.000 1.036 330 V CA -1.586 60.811 62.300 0.162 0.000 0.828 330 V CB 0.715 32.597 31.823 0.097 0.000 1.081 330 V HN 0.729 nan 8.190 nan 0.000 0.449 331 P HA 0.276 nan 4.420 nan 0.000 0.275 331 P C -0.720 176.643 177.300 0.106 0.000 1.228 331 P CA 0.015 63.179 63.100 0.107 0.000 0.786 331 P CB 2.657 34.419 31.700 0.104 0.000 0.927 332 V N 2.416 122.393 119.914 0.105 0.000 2.623 332 V HA 0.804 4.925 4.120 0.001 0.000 0.304 332 V C -0.158 176.005 176.094 0.115 0.000 1.054 332 V CA -0.100 62.270 62.300 0.117 0.000 0.882 332 V CB 1.547 33.443 31.823 0.121 0.000 1.002 332 V HN 0.877 nan 8.190 nan 0.000 0.424 333 G N 4.262 113.147 108.800 0.142 0.000 2.911 333 G HA2 0.592 4.553 3.960 0.001 0.000 0.299 333 G HA3 0.592 4.553 3.960 0.001 0.000 0.299 333 G C -0.412 174.566 174.900 0.129 0.000 1.283 333 G CA -0.600 44.570 45.100 0.115 0.000 0.805 333 G HN 0.766 nan 8.290 nan 0.000 0.548 334 R N -1.488 119.061 120.500 0.082 0.000 3.758 334 R HA -0.137 4.203 4.340 0.001 0.000 0.299 334 R C 0.020 176.365 176.300 0.075 0.000 1.182 334 R CA 0.307 56.445 56.100 0.063 0.000 0.809 334 R CB -2.568 27.768 30.300 0.060 0.000 1.249 334 R HN 0.443 nan 8.270 nan 0.000 0.497 335 L N 1.974 123.238 121.223 0.069 0.000 2.433 335 L HA 0.195 4.536 4.340 0.001 0.000 0.275 335 L C 1.240 178.135 176.870 0.042 0.000 1.128 335 L CA 0.440 55.317 54.840 0.061 0.000 0.875 335 L CB 0.278 42.369 42.059 0.052 0.000 1.171 335 L HN 0.243 nan 8.230 nan 0.000 0.463 336 R N 2.097 122.624 120.500 0.044 0.000 2.733 336 R HA 0.545 4.886 4.340 0.001 0.000 0.272 336 R C -1.534 174.790 176.300 0.039 0.000 1.029 336 R CA -1.243 54.877 56.100 0.034 0.000 0.888 336 R CB 1.114 31.432 30.300 0.030 0.000 1.251 336 R HN 0.032 nan 8.270 nan 0.000 0.464 337 K N 1.466 121.885 120.400 0.033 0.000 2.174 337 K HA 0.376 4.697 4.320 0.001 0.000 0.275 337 K C -0.113 176.515 176.600 0.048 0.000 1.015 337 K CA -0.519 55.794 56.287 0.043 0.000 0.933 337 K CB 0.954 33.474 32.500 0.033 0.000 1.025 337 K HN 0.467 nan 8.250 nan 0.000 0.463 338 L N 1.021 122.286 121.223 0.070 0.000 2.439 338 L HA 0.205 4.546 4.340 0.001 0.000 0.259 338 L C 1.561 178.428 176.870 -0.004 0.000 1.129 338 L CA -0.215 54.650 54.840 0.042 0.000 0.803 338 L CB 0.731 42.828 42.059 0.063 0.000 1.161 338 L HN 0.736 nan 8.230 nan 0.000 0.462 339 A N 1.123 123.923 122.820 -0.033 0.000 2.178 339 A HA -0.128 4.193 4.320 0.001 0.000 0.218 339 A C 1.920 179.438 177.584 -0.110 0.000 1.157 339 A CA 1.309 53.315 52.037 -0.052 0.000 0.689 339 A CB -0.519 18.457 19.000 -0.040 0.000 0.787 339 A HN 0.799 nan 8.150 nan 0.000 0.465 340 M N -1.096 118.369 119.600 -0.226 0.000 2.319 340 M HA 0.214 4.694 4.480 0.001 0.000 0.265 340 M C 1.055 177.165 176.300 -0.316 0.000 1.068 340 M CA 1.331 56.368 55.300 -0.439 0.000 1.118 340 M CB -0.125 31.844 32.600 -1.051 0.000 1.395 340 M HN 0.482 nan 8.290 nan 0.000 0.435 341 G N -1.498 107.244 108.800 -0.097 0.000 2.339 341 G HA2 0.177 4.137 3.960 0.001 0.000 0.302 341 G HA3 0.177 4.137 3.960 0.001 0.000 0.302 341 G C -2.719 172.285 174.900 0.174 0.000 1.425 341 G CA -0.886 44.272 45.100 0.097 0.000 0.899 341 G HN -0.140 nan 8.290 nan 0.000 0.619 342 P HA 0.011 nan 4.420 nan 0.000 0.234 342 P C 0.676 177.997 177.300 0.035 0.000 1.167 342 P CA 1.059 64.195 63.100 0.061 0.000 0.763 342 P CB 0.351 32.068 31.700 0.028 0.000 0.835 343 E N -1.449 118.777 120.200 0.044 0.000 2.474 343 E HA 0.042 4.393 4.350 0.001 0.000 0.195 343 E C -0.300 176.132 176.600 -0.280 0.000 1.039 343 E CA -0.116 56.200 56.400 -0.140 0.000 0.881 343 E CB -0.011 29.550 29.700 -0.231 0.000 0.970 343 E HN 0.412 nan 8.360 nan 0.000 0.486 344 Y N 0.987 121.213 120.300 -0.124 0.000 2.353 344 Y HA 0.318 4.869 4.550 0.001 0.000 0.340 344 Y C -0.232 175.617 175.900 -0.085 0.000 0.972 344 Y CA -0.968 57.052 58.100 -0.134 0.000 1.157 344 Y CB 1.015 39.429 38.460 -0.076 0.000 1.157 344 Y HN -0.034 nan 8.280 nan 0.000 0.495 345 L N 3.741 124.970 121.223 0.010 0.000 2.333 345 L HA 0.864 5.205 4.340 0.001 0.000 0.280 345 L C -0.452 176.465 176.870 0.079 0.000 1.004 345 L CA -0.537 54.318 54.840 0.024 0.000 0.820 345 L CB 1.143 43.179 42.059 -0.039 0.000 1.247 345 L HN 0.648 nan 8.230 nan 0.000 0.416 346 A N 4.300 127.181 122.820 0.101 0.000 2.327 346 A HA 0.915 5.236 4.320 0.001 0.000 0.283 346 A C -0.441 177.236 177.584 0.154 0.000 1.127 346 A CA 0.190 52.310 52.037 0.139 0.000 0.810 346 A CB 0.693 19.762 19.000 0.114 0.000 1.066 346 A HN 1.287 nan 8.150 nan 0.000 0.492 347 A N 1.169 124.120 122.820 0.218 0.000 2.566 347 A HA 0.655 4.976 4.320 0.001 0.000 0.297 347 A C -1.504 176.206 177.584 0.209 0.000 1.059 347 A CA -0.325 51.858 52.037 0.244 0.000 0.691 347 A CB 0.825 20.022 19.000 0.328 0.000 1.282 347 A HN 1.353 nan 8.150 nan 0.000 0.401 348 F N 1.296 121.250 119.950 0.006 0.000 2.518 348 F HA 0.737 5.264 4.527 0.001 0.000 0.323 348 F C 0.102 175.865 175.800 -0.063 0.000 1.129 348 F CA 0.111 58.043 58.000 -0.114 0.000 0.920 348 F CB 2.302 41.233 39.000 -0.114 0.000 1.160 348 F HN 0.647 nan 8.300 nan 0.000 0.440 349 T N 4.845 119.062 114.554 -0.562 0.000 2.907 349 T HA 0.798 5.149 4.350 0.001 0.000 0.292 349 T C -1.786 172.725 174.700 -0.314 0.000 1.043 349 T CA -0.485 61.476 62.100 -0.231 0.000 1.003 349 T CB 1.425 70.287 68.868 -0.010 0.000 1.084 349 T HN 0.379 nan 8.240 nan 0.000 0.483 350 V N 2.088 121.971 119.914 -0.051 0.000 2.709 350 V HA 0.906 5.027 4.120 0.001 0.000 0.308 350 V C 0.357 176.495 176.094 0.074 0.000 1.062 350 V CA -0.613 61.695 62.300 0.013 0.000 0.901 350 V CB 1.763 33.641 31.823 0.091 0.000 1.003 350 V HN 1.153 nan 8.190 nan 0.000 0.425 351 G N 1.258 110.113 108.800 0.093 0.000 2.733 351 G HA2 0.456 4.416 3.960 0.001 0.000 0.297 351 G HA3 0.456 4.416 3.960 0.001 0.000 0.297 351 G C -1.689 173.268 174.900 0.095 0.000 1.422 351 G CA -0.495 44.678 45.100 0.122 0.000 0.942 351 G HN 0.597 nan 8.290 nan 0.000 0.510 352 D N 0.940 121.396 120.400 0.093 0.000 2.371 352 D HA 0.008 4.649 4.640 0.001 0.000 0.256 352 D C 1.130 177.413 176.300 -0.029 0.000 1.193 352 D CA -0.188 53.829 54.000 0.028 0.000 0.881 352 D CB 1.436 42.251 40.800 0.026 0.000 1.143 352 D HN 0.409 nan 8.370 nan 0.000 0.473 353 Q N 3.976 123.690 119.800 -0.143 0.000 2.124 353 Q HA -0.134 4.207 4.340 0.001 0.000 0.202 353 Q C 1.826 177.750 176.000 -0.127 0.000 0.977 353 Q CA 1.081 56.727 55.803 -0.261 0.000 0.850 353 Q CB 0.112 28.519 28.738 -0.553 0.000 0.901 353 Q HN 0.683 nan 8.270 nan 0.000 0.429 354 L N 0.008 121.176 121.223 -0.092 0.000 2.313 354 L HA -0.076 4.264 4.340 0.001 0.000 0.214 354 L C 2.107 178.918 176.870 -0.099 0.000 1.119 354 L CA 0.213 55.010 54.840 -0.072 0.000 0.809 354 L CB -0.119 41.909 42.059 -0.053 0.000 0.933 354 L HN 0.155 nan 8.230 nan 0.000 0.449 355 L N -1.887 119.259 121.223 -0.128 0.000 2.292 355 L HA -0.010 4.331 4.340 0.001 0.000 0.196 355 L C 2.069 178.756 176.870 -0.306 0.000 1.246 355 L CA 0.869 55.551 54.840 -0.263 0.000 0.864 355 L CB -0.643 41.225 42.059 -0.318 0.000 1.044 355 L HN 0.127 nan 8.230 nan 0.000 0.504 356 W N 0.111 121.351 121.300 -0.100 0.000 2.465 356 W HA -0.026 4.635 4.660 0.001 0.000 0.268 356 W C 2.089 178.567 176.519 -0.070 0.000 1.242 356 W CA 0.675 57.952 57.345 -0.113 0.000 1.248 356 W CB -0.268 29.120 29.460 -0.120 0.000 1.118 356 W HN 0.259 nan 8.180 nan 0.000 0.587 357 G N -1.044 107.825 108.800 0.115 0.000 2.939 357 G HA2 0.300 4.261 3.960 0.001 0.000 0.210 357 G HA3 0.300 4.261 3.960 0.001 0.000 0.210 357 G C 0.920 175.840 174.900 0.033 0.000 1.160 357 G CA 0.791 45.932 45.100 0.069 0.000 0.770 357 G HN 0.236 nan 8.290 nan 0.000 0.543 358 A N -0.305 122.513 122.820 -0.004 0.000 1.713 358 A HA 0.695 5.016 4.320 0.001 0.000 0.164 358 A C 2.103 179.667 177.584 -0.034 0.000 1.618 358 A CA 1.252 53.284 52.037 -0.009 0.000 1.267 358 A CB -0.843 18.149 19.000 -0.013 0.000 1.054 358 A HN 0.571 nan 8.150 nan 0.000 0.713 359 A N -0.249 122.524 122.820 -0.079 0.000 1.970 359 A HA 0.052 4.373 4.320 0.001 0.000 0.216 359 A C 1.742 179.226 177.584 -0.166 0.000 1.170 359 A CA 1.657 53.636 52.037 -0.097 0.000 0.645 359 A CB -0.406 18.538 19.000 -0.092 0.000 0.816 359 A HN 0.426 nan 8.150 nan 0.000 0.447 360 E N -0.266 119.754 120.200 -0.300 0.000 2.077 360 E HA -0.123 4.228 4.350 0.001 0.000 0.193 360 E C -0.446 175.983 176.600 -0.285 0.000 0.989 360 E CA 1.519 57.630 56.400 -0.482 0.000 0.800 360 E CB -1.396 27.615 29.700 -1.149 0.000 0.746 360 E HN 0.443 nan 8.360 nan 0.000 0.452 361 P HA -0.058 nan 4.420 nan 0.000 0.221 361 P C 1.613 178.910 177.300 -0.004 0.000 1.150 361 P CA 0.672 63.792 63.100 0.033 0.000 0.800 361 P CB 0.161 31.923 31.700 0.103 0.000 0.787 362 V N -0.252 119.648 119.914 -0.024 0.000 2.407 362 V HA -0.150 3.970 4.120 0.001 0.000 0.245 362 V C 2.613 178.680 176.094 -0.044 0.000 1.041 362 V CA 1.450 63.742 62.300 -0.014 0.000 1.040 362 V CB -0.848 30.976 31.823 0.002 0.000 0.671 362 V HN 0.058 nan 8.190 nan 0.000 0.455 363 R N 0.254 120.706 120.500 -0.080 0.000 2.081 363 R HA -0.146 4.195 4.340 0.001 0.000 0.235 363 R C 2.544 178.782 176.300 -0.102 0.000 1.131 363 R CA 1.635 57.674 56.100 -0.101 0.000 0.960 363 R CB -0.128 30.081 30.300 -0.151 0.000 0.856 363 R HN 0.445 nan 8.270 nan 0.000 0.436 364 R N -0.072 120.369 120.500 -0.099 0.000 2.075 364 R HA -0.111 4.230 4.340 0.001 0.000 0.232 364 R C 2.301 178.547 176.300 -0.090 0.000 1.126 364 R CA 1.175 57.232 56.100 -0.072 0.000 0.963 364 R CB -0.438 29.845 30.300 -0.028 0.000 0.858 364 R HN 0.202 nan 8.270 nan 0.000 0.435 365 I N 1.066 121.575 120.570 -0.102 0.000 2.394 365 I HA -0.189 3.982 4.170 0.001 0.000 0.251 365 I C 1.910 177.901 176.117 -0.210 0.000 1.136 365 I CA 0.978 62.168 61.300 -0.183 0.000 1.425 365 I CB -0.179 37.711 38.000 -0.184 0.000 1.079 365 I HN 0.059 nan 8.210 nan 0.000 0.425 366 L N 0.754 121.890 121.223 -0.144 0.000 2.046 366 L HA -0.200 4.141 4.340 0.001 0.000 0.208 366 L C 2.448 179.232 176.870 -0.144 0.000 1.077 366 L CA 1.939 56.695 54.840 -0.140 0.000 0.747 366 L CB -0.998 41.010 42.059 -0.085 0.000 0.896 366 L HN 0.258 nan 8.230 nan 0.000 0.432 367 K N -1.033 119.292 120.400 -0.124 0.000 2.103 367 K HA -0.218 4.103 4.320 0.001 0.000 0.207 367 K C 2.069 178.598 176.600 -0.117 0.000 1.048 367 K CA 1.802 58.024 56.287 -0.107 0.000 0.930 367 K CB -0.065 32.385 32.500 -0.083 0.000 0.716 367 K HN 0.544 nan 8.250 nan 0.000 0.444 368 Q N 0.132 119.842 119.800 -0.149 0.000 2.123 368 Q HA -0.057 4.283 4.340 0.001 0.000 0.199 368 Q C 2.146 178.015 176.000 -0.219 0.000 0.966 368 Q CA 1.035 56.736 55.803 -0.169 0.000 0.845 368 Q CB 0.073 28.691 28.738 -0.200 0.000 0.907 368 Q HN 0.332 nan 8.270 nan 0.000 0.439 369 L N 0.425 121.477 121.223 -0.286 0.000 2.217 369 L HA -0.086 4.254 4.340 0.001 0.000 0.211 369 L C 2.143 178.867 176.870 -0.243 0.000 1.107 369 L CA 0.596 55.216 54.840 -0.366 0.000 0.783 369 L CB -0.244 41.531 42.059 -0.473 0.000 0.919 369 L HN 0.186 nan 8.230 nan 0.000 0.442 370 V N -3.782 116.033 119.914 -0.166 0.000 3.647 370 V HA 0.378 4.499 4.120 0.001 0.000 0.279 370 V C 1.296 177.342 176.094 -0.080 0.000 1.314 370 V CA -0.001 62.235 62.300 -0.106 0.000 1.125 370 V CB -0.756 31.020 31.823 -0.079 0.000 0.907 370 V HN 0.156 nan 8.190 nan 0.000 0.434 371 A N 0.000 122.766 122.820 -0.090 0.000 2.254 371 A HA 0.000 4.321 4.320 0.001 0.000 0.244 371 A CA 0.000 51.998 52.037 -0.065 0.000 0.836 371 A CB 0.000 18.958 19.000 -0.069 0.000 0.831 371 A HN 0.000 nan 8.150 nan 0.000 0.486