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 2cd9_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKAIIVKPPN AGVQVKDVDE KKLDSYGKIK IRTIYNGICG TDREIVNGKL DATA SEQUENCE TLXXXXXGKD FLVLGHEAIG VVEESYHGFS QGDLVMPVNR RGCGICRNCL DATA SEQUENCE VGRPDFCETG EFGEAGIHKM DGFMREWWYD DPKYLVKIPK SIEDIGILAQ DATA SEQUENCE PLADIEKSIE EILEVQKRVP VWTcDDGTLN cRKVLVVGTG PIGVLFTLLF DATA SEQUENCE RTYGLEVWMA NRREPTEVEQ TVIEETKTNY YNSSNGYDKL KDSVGKFDVI DATA SEQUENCE IDATGADVNI LGNVIPLLGR NGVLGLFGFS TSGSVPLDYK TLQEIVHTNK DATA SEQUENCE TIIGLVNGQK PHFQQAVVHL ASWKTLYPKA AKMLITKTVS INDEKELLKV DATA SEQUENCE LREKEHGEIK IRILWE 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 0.000 176.294 176.300 -0.011 0.000 1.140 1 M CA 0.000 55.277 55.300 -0.039 0.000 0.988 1 M CB 0.000 32.473 32.600 -0.212 0.000 1.302 2 K N 2.721 123.164 120.400 0.071 0.000 2.412 2 K HA 0.650 4.970 4.320 -0.000 0.000 0.281 2 K C -1.069 175.653 176.600 0.205 0.000 1.027 2 K CA 0.476 56.843 56.287 0.133 0.000 0.989 2 K CB 0.757 33.378 32.500 0.201 0.000 0.935 2 K HN 0.660 nan 8.250 nan 0.000 0.475 3 A N 4.605 127.501 122.820 0.126 0.000 2.594 3 A HA 0.517 4.837 4.320 -0.000 0.000 0.295 3 A C -1.163 176.462 177.584 0.069 0.000 1.071 3 A CA -0.859 51.256 52.037 0.130 0.000 0.685 3 A CB 0.933 19.921 19.000 -0.020 0.000 1.285 3 A HN 0.696 nan 8.150 nan 0.000 0.405 4 I N 2.617 123.253 120.570 0.110 0.000 2.312 4 I HA 0.438 4.608 4.170 -0.000 0.000 0.290 4 I C -0.317 175.804 176.117 0.006 0.000 1.008 4 I CA -0.326 61.001 61.300 0.044 0.000 1.226 4 I CB 0.882 38.935 38.000 0.087 0.000 1.371 4 I HN 0.632 nan 8.210 nan 0.000 0.468 5 I N 5.702 126.242 120.570 -0.050 0.000 2.646 5 I HA 0.863 5.033 4.170 -0.000 0.000 0.299 5 I C -0.579 175.538 176.117 0.000 0.000 1.036 5 I CA -0.816 60.454 61.300 -0.049 0.000 1.074 5 I CB 2.125 39.958 38.000 -0.278 0.000 1.258 5 I HN 0.336 nan 8.210 nan 0.000 0.430 6 V N 1.911 121.865 119.914 0.067 0.000 3.158 6 V HA 0.653 4.773 4.120 -0.000 0.000 0.311 6 V C -0.601 175.555 176.094 0.103 0.000 1.181 6 V CA -0.945 61.394 62.300 0.066 0.000 1.054 6 V CB 2.005 33.862 31.823 0.056 0.000 1.085 6 V HN 0.860 nan 8.190 nan 0.000 0.446 7 K N 1.243 121.689 120.400 0.076 0.000 2.920 7 K HA 0.435 4.755 4.320 -0.000 0.000 0.175 7 K C -2.944 173.685 176.600 0.048 0.000 1.099 7 K CA -1.373 54.960 56.287 0.076 0.000 0.939 7 K CB 1.393 33.938 32.500 0.075 0.000 1.148 7 K HN 0.495 nan 8.250 nan 0.000 0.613 8 P HA -0.008 nan 4.420 nan 0.000 0.267 8 P C -1.832 175.483 177.300 0.025 0.000 1.200 8 P CA -0.808 62.312 63.100 0.034 0.000 0.772 8 P CB 0.262 31.985 31.700 0.037 0.000 0.855 9 P HA 0.019 nan 4.420 nan 0.000 0.257 9 P C -0.379 176.932 177.300 0.019 0.000 1.281 9 P CA 0.311 63.422 63.100 0.019 0.000 0.826 9 P CB 0.255 31.963 31.700 0.012 0.000 1.237 10 N N 1.134 119.847 118.700 0.021 0.000 2.453 10 N HA 0.213 4.953 4.740 -0.000 0.000 0.253 10 N C 0.422 175.945 175.510 0.022 0.000 1.252 10 N CA 0.083 53.145 53.050 0.020 0.000 0.917 10 N CB 0.856 39.355 38.487 0.021 0.000 1.117 10 N HN 0.059 nan 8.380 nan 0.000 0.442 11 A N 0.192 123.022 122.820 0.018 0.000 2.286 11 A HA 0.742 5.062 4.320 -0.000 0.000 0.286 11 A C 0.762 178.356 177.584 0.016 0.000 1.097 11 A CA 0.303 52.350 52.037 0.018 0.000 0.821 11 A CB 0.394 19.402 19.000 0.014 0.000 1.076 11 A HN 0.884 nan 8.150 nan 0.000 0.490 12 G N -1.808 107.001 108.800 0.016 0.000 2.362 12 G HA2 0.494 4.454 3.960 -0.000 0.000 0.656 12 G HA3 0.494 4.454 3.960 -0.000 0.000 0.656 12 G C -1.213 173.694 174.900 0.011 0.000 1.376 12 G CA -0.039 45.067 45.100 0.011 0.000 0.971 12 G HN 2.139 nan 8.290 nan 0.000 0.636 13 V N 0.374 120.289 119.914 0.002 0.000 3.000 13 V HA 0.810 4.930 4.120 -0.000 0.000 0.300 13 V C -1.067 175.015 176.094 -0.020 0.000 1.251 13 V CA -0.500 61.798 62.300 -0.003 0.000 0.972 13 V CB 2.050 33.875 31.823 0.004 0.000 1.065 13 V HN 1.128 nan 8.190 nan 0.000 0.431 14 Q N 3.685 123.462 119.800 -0.037 0.000 2.372 14 Q HA 0.703 5.043 4.340 -0.000 0.000 0.273 14 Q C -1.543 174.417 176.000 -0.066 0.000 1.078 14 Q CA -0.849 54.920 55.803 -0.056 0.000 0.806 14 Q CB 3.009 31.701 28.738 -0.078 0.000 1.332 14 Q HN 0.597 nan 8.270 nan 0.000 0.435 15 V N 3.072 122.947 119.914 -0.065 0.000 2.333 15 V HA 0.460 4.580 4.120 -0.000 0.000 0.274 15 V C -0.250 175.799 176.094 -0.076 0.000 1.028 15 V CA -0.311 61.947 62.300 -0.070 0.000 0.851 15 V CB 0.264 32.037 31.823 -0.084 0.000 1.000 15 V HN 0.716 nan 8.190 nan 0.000 0.456 16 K N 1.815 122.162 120.400 -0.088 0.000 2.548 16 K HA 0.589 4.909 4.320 -0.000 0.000 0.282 16 K C -1.353 175.197 176.600 -0.083 0.000 1.006 16 K CA -1.008 55.225 56.287 -0.089 0.000 0.892 16 K CB 2.197 34.628 32.500 -0.115 0.000 1.499 16 K HN 0.382 nan 8.250 nan 0.000 0.433 17 D N 1.105 121.468 120.400 -0.062 0.000 2.351 17 D HA 0.287 4.927 4.640 -0.000 0.000 0.251 17 D C -0.448 175.805 176.300 -0.079 0.000 1.137 17 D CA -0.218 53.755 54.000 -0.045 0.000 0.879 17 D CB 1.100 41.891 40.800 -0.016 0.000 1.181 17 D HN 0.536 nan 8.370 nan 0.000 0.448 18 V N 0.811 120.681 119.914 -0.073 0.000 3.074 18 V HA 0.479 4.599 4.120 -0.000 0.000 0.314 18 V C -0.419 175.687 176.094 0.019 0.000 1.117 18 V CA -1.157 61.108 62.300 -0.057 0.000 1.014 18 V CB 1.787 33.520 31.823 -0.149 0.000 1.057 18 V HN 0.464 nan 8.190 nan 0.000 0.438 19 D N 1.872 122.322 120.400 0.082 0.000 2.342 19 D HA 0.106 4.746 4.640 -0.000 0.000 0.260 19 D C 1.410 177.743 176.300 0.055 0.000 1.278 19 D CA 0.650 54.692 54.000 0.071 0.000 0.910 19 D CB 1.139 41.986 40.800 0.079 0.000 1.079 19 D HN 0.870 nan 8.370 nan 0.000 0.496 20 E N 3.322 123.531 120.200 0.014 0.000 2.171 20 E HA -0.274 4.076 4.350 -0.000 0.000 0.197 20 E C 1.028 177.636 176.600 0.013 0.000 0.997 20 E CA 1.005 57.382 56.400 -0.039 0.000 0.810 20 E CB -0.084 29.601 29.700 -0.026 0.000 0.738 20 E HN 0.433 nan 8.360 nan 0.000 0.467 21 K N 1.013 121.438 120.400 0.041 0.000 2.283 21 K HA -0.099 4.221 4.320 -0.000 0.000 0.202 21 K C 1.931 178.528 176.600 -0.005 0.000 1.048 21 K CA 1.418 57.723 56.287 0.030 0.000 0.948 21 K CB -0.048 32.470 32.500 0.030 0.000 0.742 21 K HN 0.320 nan 8.250 nan 0.000 0.458 22 K N 0.495 120.888 120.400 -0.011 0.000 2.358 22 K HA 0.153 4.473 4.320 -0.000 0.000 0.197 22 K C 0.262 176.801 176.600 -0.101 0.000 1.025 22 K CA -0.036 56.215 56.287 -0.060 0.000 1.104 22 K CB 0.204 32.662 32.500 -0.071 0.000 0.855 22 K HN -0.011 nan 8.250 nan 0.000 0.531 23 L N 2.239 123.421 121.223 -0.067 0.000 2.399 23 L HA 0.234 4.574 4.340 -0.000 0.000 0.266 23 L C -0.214 176.577 176.870 -0.130 0.000 1.114 23 L CA -0.852 53.935 54.840 -0.089 0.000 0.804 23 L CB 0.695 42.709 42.059 -0.075 0.000 1.146 23 L HN 0.052 nan 8.230 nan 0.000 0.451 24 D N 1.096 121.383 120.400 -0.189 0.000 2.389 24 D HA 0.133 4.773 4.640 -0.000 0.000 0.247 24 D C -0.111 175.873 176.300 -0.528 0.000 1.128 24 D CA 0.233 54.035 54.000 -0.330 0.000 0.884 24 D CB 1.564 42.186 40.800 -0.297 0.000 1.194 24 D HN 0.362 nan 8.370 nan 0.000 0.441 25 S N 1.744 117.166 115.700 -0.464 0.000 2.482 25 S HA 0.388 4.858 4.470 -0.000 0.000 0.303 25 S C -0.396 173.982 174.600 -0.370 0.000 1.091 25 S CA -0.631 57.381 58.200 -0.313 0.000 1.057 25 S CB 0.513 63.661 63.200 -0.086 0.000 1.031 25 S HN 0.416 nan 8.310 nan 0.000 0.485 26 Y N 2.823 123.259 120.300 0.228 0.000 2.500 26 Y HA 0.484 5.034 4.550 -0.000 0.000 0.246 26 Y C 1.317 177.317 175.900 0.167 0.000 1.146 26 Y CA -0.163 58.043 58.100 0.177 0.000 1.230 26 Y CB 1.089 39.668 38.460 0.199 0.000 1.214 26 Y HN 0.864 nan 8.280 nan 0.000 0.526 27 G N -0.002 108.936 108.800 0.229 0.000 2.435 27 G HA2 0.177 4.137 3.960 -0.000 0.000 0.296 27 G HA3 0.177 4.137 3.960 -0.000 0.000 0.296 27 G C -0.452 174.458 174.900 0.016 0.000 1.240 27 G CA -0.758 44.411 45.100 0.115 0.000 0.872 27 G HN -0.073 nan 8.290 nan 0.000 0.480 28 K N -0.654 119.665 120.400 -0.135 0.000 2.361 28 K HA 0.335 4.655 4.320 -0.000 0.000 0.194 28 K C 0.448 176.878 176.600 -0.282 0.000 1.032 28 K CA 0.243 56.357 56.287 -0.289 0.000 1.048 28 K CB 0.494 32.653 32.500 -0.569 0.000 0.842 28 K HN 0.307 nan 8.250 nan 0.000 0.526 29 I N 2.540 122.942 120.570 -0.281 0.000 2.301 29 I HA 0.090 4.259 4.170 -0.000 0.000 0.292 29 I C -0.036 175.854 176.117 -0.380 0.000 1.046 29 I CA -0.561 60.538 61.300 -0.334 0.000 1.282 29 I CB 0.806 38.576 38.000 -0.384 0.000 1.409 29 I HN -0.054 nan 8.210 nan 0.000 0.484 30 K N 7.525 127.608 120.400 -0.528 0.000 2.297 30 K HA 0.528 4.848 4.320 -0.000 0.000 0.286 30 K C -1.001 175.176 176.600 -0.705 0.000 1.053 30 K CA -0.275 55.419 56.287 -0.988 0.000 0.940 30 K CB 0.731 32.559 32.500 -1.120 0.000 1.019 30 K HN 0.537 nan 8.250 nan 0.000 0.475 31 I N 4.306 124.405 120.570 -0.786 0.000 2.447 31 I HA 0.304 4.474 4.170 -0.000 0.000 0.287 31 I C -0.124 175.678 176.117 -0.525 0.000 1.023 31 I CA -0.735 60.105 61.300 -0.767 0.000 1.083 31 I CB 1.822 39.011 38.000 -1.352 0.000 1.245 31 I HN 0.484 nan 8.210 nan 0.000 0.434 32 R N 4.270 124.585 120.500 -0.309 0.000 2.221 32 R HA 0.387 4.727 4.340 -0.000 0.000 0.327 32 R C -0.645 175.588 176.300 -0.111 0.000 1.033 32 R CA -0.372 55.656 56.100 -0.121 0.000 0.887 32 R CB 1.106 31.354 30.300 -0.087 0.000 1.057 32 R HN 0.588 nan 8.270 nan 0.000 0.455 33 T N 5.185 119.692 114.554 -0.078 0.000 2.928 33 T HA 0.043 4.393 4.350 -0.000 0.000 0.305 33 T C 1.249 175.860 174.700 -0.148 0.000 1.035 33 T CA 0.078 62.109 62.100 -0.114 0.000 1.145 33 T CB 0.897 69.468 68.868 -0.495 0.000 0.963 33 T HN 0.655 nan 8.240 nan 0.000 0.545 34 I N 1.722 122.224 120.570 -0.113 0.000 3.136 34 I HA 0.284 4.454 4.170 -0.000 0.000 0.262 34 I C -0.714 175.211 176.117 -0.320 0.000 1.132 34 I CA 0.008 61.147 61.300 -0.267 0.000 1.450 34 I CB 0.617 38.336 38.000 -0.469 0.000 1.315 34 I HN 0.569 nan 8.210 nan 0.000 0.460 35 Y N 1.193 121.626 120.300 0.223 0.000 2.499 35 Y HA 0.502 5.052 4.550 -0.000 0.000 0.347 35 Y C -0.452 175.586 175.900 0.230 0.000 0.987 35 Y CA -1.177 57.073 58.100 0.250 0.000 1.044 35 Y CB 0.940 39.495 38.460 0.159 0.000 1.245 35 Y HN -0.048 nan 8.280 nan 0.000 0.461 36 N N 0.269 119.227 118.700 0.430 0.000 2.362 36 N HA 0.562 5.302 4.740 -0.000 0.000 0.299 36 N C -0.487 175.139 175.510 0.194 0.000 1.170 36 N CA -0.598 52.619 53.050 0.279 0.000 0.825 36 N CB 2.255 40.920 38.487 0.296 0.000 1.299 36 N HN 0.901 nan 8.380 nan 0.000 0.502 37 G N 0.085 108.944 108.800 0.099 0.000 2.417 37 G HA2 0.694 4.654 3.960 -0.000 0.000 0.334 37 G HA3 0.694 4.654 3.960 -0.000 0.000 0.334 37 G C -0.469 174.431 174.900 -0.000 0.000 1.150 37 G CA -0.484 44.644 45.100 0.046 0.000 0.923 37 G HN 0.442 nan 8.290 nan 0.000 0.485 38 I N 0.415 120.993 120.570 0.013 0.000 2.441 38 I HA 0.444 4.614 4.170 -0.000 0.000 0.295 38 I C 0.500 176.634 176.117 0.027 0.000 0.994 38 I CA -0.707 60.600 61.300 0.012 0.000 1.144 38 I CB 1.752 39.770 38.000 0.030 0.000 1.314 38 I HN 0.749 nan 8.210 nan 0.000 0.445 39 C N 2.000 121.334 119.300 0.057 0.000 3.256 39 C HA 0.711 5.171 4.460 -0.000 0.000 0.361 39 C C 1.727 176.778 174.990 0.103 0.000 1.665 39 C CA 0.053 59.129 59.018 0.096 0.000 1.445 39 C CB 0.845 28.676 27.740 0.151 0.000 2.144 39 C HN 0.913 nan 8.230 nan 0.000 0.448 40 G N 0.506 109.362 108.800 0.094 0.000 2.442 40 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.219 40 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.219 40 G C 1.231 176.172 174.900 0.068 0.000 1.141 40 G CA 1.870 47.008 45.100 0.065 0.000 0.763 40 G HN 0.904 nan 8.290 nan 0.000 0.554 41 T N 1.052 115.668 114.554 0.103 0.000 2.746 41 T HA -0.083 4.267 4.350 -0.000 0.000 0.267 41 T C 1.971 176.741 174.700 0.116 0.000 1.039 41 T CA 1.367 63.523 62.100 0.092 0.000 1.142 41 T CB -0.242 68.674 68.868 0.080 0.000 0.866 41 T HN 0.232 nan 8.240 nan 0.000 0.444 42 D N 1.003 121.501 120.400 0.163 0.000 2.097 42 D HA -0.066 4.573 4.640 -0.000 0.000 0.195 42 D C 2.426 178.772 176.300 0.075 0.000 0.989 42 D CA 1.007 55.082 54.000 0.125 0.000 0.827 42 D CB -0.193 40.671 40.800 0.108 0.000 0.966 42 D HN 0.144 nan 8.370 nan 0.000 0.456 43 R N 1.107 121.644 120.500 0.062 0.000 2.091 43 R HA -0.093 4.247 4.340 -0.000 0.000 0.238 43 R C 2.217 178.538 176.300 0.035 0.000 1.136 43 R CA 1.000 57.125 56.100 0.042 0.000 0.959 43 R CB -0.414 29.907 30.300 0.034 0.000 0.856 43 R HN 0.383 nan 8.270 nan 0.000 0.437 44 E N -0.211 120.011 120.200 0.036 0.000 2.051 44 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 44 E C 1.982 178.602 176.600 0.033 0.000 0.991 44 E CA 1.461 57.878 56.400 0.028 0.000 0.799 44 E CB -0.237 29.476 29.700 0.023 0.000 0.748 44 E HN 0.284 nan 8.360 nan 0.000 0.449 45 I N 0.736 121.332 120.570 0.043 0.000 2.179 45 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 45 I C 2.375 178.514 176.117 0.038 0.000 1.088 45 I CA 0.815 62.141 61.300 0.044 0.000 1.357 45 I CB -0.240 37.794 38.000 0.057 0.000 1.051 45 I HN -0.024 nan 8.210 nan 0.000 0.409 46 V N 0.961 120.897 119.914 0.038 0.000 2.490 46 V HA -0.235 3.885 4.120 -0.000 0.000 0.250 46 V C 1.606 177.714 176.094 0.023 0.000 1.061 46 V CA 1.717 64.035 62.300 0.030 0.000 1.064 46 V CB -0.692 31.149 31.823 0.029 0.000 0.670 46 V HN 0.487 nan 8.190 nan 0.000 0.461 47 N N 0.165 118.879 118.700 0.023 0.000 2.314 47 N HA 0.106 4.846 4.740 -0.000 0.000 0.200 47 N C 1.344 176.865 175.510 0.018 0.000 1.135 47 N CA 0.857 53.918 53.050 0.019 0.000 0.835 47 N CB 0.716 39.213 38.487 0.017 0.000 0.989 47 N HN 0.561 nan 8.380 nan 0.000 0.478 48 G N 1.957 110.770 108.800 0.021 0.000 2.305 48 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.287 48 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.287 48 G C 0.889 175.800 174.900 0.019 0.000 1.036 48 G CA 0.205 45.317 45.100 0.020 0.000 0.887 48 G HN 0.223 nan 8.290 nan 0.000 0.505 49 K N -0.863 119.549 120.400 0.020 0.000 2.374 49 K HA 0.290 4.610 4.320 -0.000 0.000 0.196 49 K C 1.156 177.770 176.600 0.023 0.000 1.023 49 K CA 0.349 56.648 56.287 0.020 0.000 1.103 49 K CB 0.440 32.951 32.500 0.018 0.000 0.848 49 K HN 0.561 nan 8.250 nan 0.000 0.528 50 L N 1.004 122.240 121.223 0.022 0.000 2.346 50 L HA 0.356 4.696 4.340 -0.000 0.000 0.274 50 L C -0.282 176.594 176.870 0.010 0.000 1.007 50 L CA -0.694 54.157 54.840 0.019 0.000 0.818 50 L CB 1.930 44.002 42.059 0.021 0.000 1.284 50 L HN -0.200 nan 8.230 nan 0.000 0.424 51 T N 4.165 118.719 114.554 -0.000 0.000 3.029 51 T HA 0.560 4.910 4.350 -0.000 0.000 0.346 51 T C -0.085 174.598 174.700 -0.028 0.000 1.211 51 T CA -0.481 61.614 62.100 -0.009 0.000 1.009 51 T CB 0.052 68.915 68.868 -0.009 0.000 1.084 51 T HN 0.452 nan 8.240 nan 0.000 0.536 59 K N 1.196 121.509 120.400 -0.145 0.000 2.172 59 K HA 0.346 4.666 4.320 -0.000 0.000 0.276 59 K C -0.260 176.215 176.600 -0.210 0.000 1.013 59 K CA -0.549 55.590 56.287 -0.247 0.000 0.913 59 K CB 1.963 34.286 32.500 -0.295 0.000 1.055 59 K HN -0.034 nan 8.250 nan 0.000 0.461 60 D N 1.669 121.920 120.400 -0.248 0.000 2.348 60 D HA 0.062 4.702 4.640 -0.000 0.000 0.211 60 D C 0.356 176.697 176.300 0.068 0.000 0.998 60 D CA 0.635 54.604 54.000 -0.051 0.000 0.873 60 D CB 0.074 40.913 40.800 0.065 0.000 0.925 60 D HN 0.426 nan 8.370 nan 0.000 0.524 61 F N -1.106 118.832 119.950 -0.021 0.000 2.745 61 F HA 0.597 5.124 4.527 -0.000 0.000 0.316 61 F C -1.865 173.917 175.800 -0.030 0.000 1.155 61 F CA -1.628 56.359 58.000 -0.021 0.000 0.937 61 F CB 1.088 40.076 39.000 -0.020 0.000 1.361 61 F HN -0.318 nan 8.300 nan 0.000 0.472 62 L N 1.894 123.283 121.223 0.276 0.000 2.410 62 L HA 0.737 5.077 4.340 -0.000 0.000 0.270 62 L C -1.151 175.853 176.870 0.223 0.000 0.983 62 L CA -0.802 54.128 54.840 0.149 0.000 0.822 62 L CB 2.101 44.190 42.059 0.051 0.000 1.285 62 L HN 0.660 nan 8.230 nan 0.000 0.409 63 V N 5.376 125.393 119.914 0.171 0.000 2.529 63 V HA 0.063 4.183 4.120 -0.000 0.000 0.292 63 V C 0.510 176.605 176.094 0.002 0.000 1.028 63 V CA -0.116 62.232 62.300 0.080 0.000 1.074 63 V CB 0.863 32.692 31.823 0.009 0.000 0.958 63 V HN 0.632 nan 8.190 nan 0.000 0.481 64 L N 4.825 126.062 121.223 0.023 0.000 2.453 64 L HA 0.776 5.116 4.340 -0.000 0.000 0.261 64 L C 0.560 177.431 176.870 0.002 0.000 1.179 64 L CA 1.319 56.174 54.840 0.026 0.000 0.813 64 L CB 0.983 43.073 42.059 0.052 0.000 1.110 64 L HN 1.004 nan 8.230 nan 0.000 0.466 65 G N 2.286 111.106 108.800 0.034 0.000 3.363 65 G HA2 -0.025 3.934 3.960 -0.000 0.000 0.685 65 G HA3 -0.025 3.934 3.960 -0.000 0.000 0.685 65 G C -0.300 174.627 174.900 0.045 0.000 1.199 65 G CA -0.021 45.088 45.100 0.016 0.000 0.946 65 G HN 1.288 nan 8.290 nan 0.000 0.558 66 H N 0.175 119.323 119.070 0.130 0.000 3.058 66 H HA 0.307 4.863 4.556 -0.000 0.000 0.266 66 H C 0.066 175.568 175.328 0.290 0.000 1.135 66 H CA 0.365 56.554 56.048 0.234 0.000 1.174 66 H CB 1.122 30.976 29.762 0.152 0.000 1.581 66 H HN 0.559 nan 8.280 nan 0.000 0.553 67 E N 1.567 121.697 120.200 -0.117 0.000 2.113 67 E HA 0.677 5.027 4.350 -0.000 0.000 0.273 67 E C -0.950 175.690 176.600 0.066 0.000 0.924 67 E CA -0.730 55.673 56.400 0.006 0.000 0.764 67 E CB 2.003 31.655 29.700 -0.080 0.000 1.104 67 E HN 0.460 nan 8.360 nan 0.000 0.406 68 A N 3.814 126.675 122.820 0.067 0.000 2.574 68 A HA 0.698 5.018 4.320 -0.000 0.000 0.297 68 A C -1.201 176.465 177.584 0.138 0.000 1.062 68 A CA -0.605 51.472 52.037 0.067 0.000 0.686 68 A CB 1.184 20.111 19.000 -0.122 0.000 1.285 68 A HN 0.567 nan 8.150 nan 0.000 0.403 69 I N 1.225 121.929 120.570 0.223 0.000 2.498 69 I HA 0.655 4.825 4.170 -0.000 0.000 0.290 69 I C 0.480 176.717 176.117 0.200 0.000 1.032 69 I CA -0.481 60.964 61.300 0.241 0.000 1.073 69 I CB 2.435 40.630 38.000 0.325 0.000 1.251 69 I HN 0.860 nan 8.210 nan 0.000 0.426 70 G N 3.876 112.758 108.800 0.137 0.000 2.733 70 G HA2 0.617 4.577 3.960 -0.000 0.000 0.288 70 G HA3 0.617 4.577 3.960 -0.000 0.000 0.288 70 G C -1.912 172.949 174.900 -0.066 0.000 1.373 70 G CA -0.575 44.525 45.100 -0.001 0.000 0.895 70 G HN 0.353 nan 8.290 nan 0.000 0.479 71 V N 0.446 120.288 119.914 -0.119 0.000 2.459 71 V HA 0.568 4.688 4.120 -0.000 0.000 0.295 71 V C -0.116 175.882 176.094 -0.160 0.000 1.029 71 V CA -0.645 61.599 62.300 -0.094 0.000 0.874 71 V CB 1.524 33.311 31.823 -0.061 0.000 0.985 71 V HN 0.600 nan 8.190 nan 0.000 0.438 72 V N 7.187 127.029 119.914 -0.119 0.000 2.529 72 V HA 0.142 4.262 4.120 -0.000 0.000 0.292 72 V C 1.291 177.309 176.094 -0.127 0.000 1.028 72 V CA 0.390 62.605 62.300 -0.142 0.000 1.074 72 V CB 0.769 32.577 31.823 -0.024 0.000 0.958 72 V HN 1.028 nan 8.190 nan 0.000 0.481 73 E N 2.589 122.676 120.200 -0.188 0.000 2.190 73 E HA 0.039 4.389 4.350 -0.000 0.000 0.191 73 E C 0.151 176.684 176.600 -0.112 0.000 0.978 73 E CA 0.514 56.813 56.400 -0.167 0.000 0.839 73 E CB 0.477 30.027 29.700 -0.249 0.000 0.787 73 E HN 0.689 nan 8.360 nan 0.000 0.473 74 E N 0.248 120.393 120.200 -0.092 0.000 2.356 74 E HA 0.274 4.624 4.350 -0.000 0.000 0.275 74 E C -1.078 175.538 176.600 0.026 0.000 0.904 74 E CA -0.423 55.957 56.400 -0.033 0.000 0.757 74 E CB 2.062 31.740 29.700 -0.037 0.000 1.232 74 E HN -0.178 nan 8.360 nan 0.000 0.442 75 S N 1.335 117.068 115.700 0.056 0.000 2.549 75 S HA 0.184 4.654 4.470 -0.000 0.000 0.286 75 S C -0.654 174.059 174.600 0.188 0.000 1.314 75 S CA 0.162 58.426 58.200 0.106 0.000 1.062 75 S CB -0.081 63.161 63.200 0.070 0.000 0.865 75 S HN 0.442 nan 8.310 nan 0.000 0.498 76 Y N 3.576 123.922 120.300 0.077 0.000 2.323 76 Y HA 0.297 4.847 4.550 -0.000 0.000 0.322 76 Y C 0.288 176.299 175.900 0.184 0.000 1.133 76 Y CA -0.429 57.704 58.100 0.054 0.000 1.093 76 Y CB 0.215 38.635 38.460 -0.066 0.000 1.203 76 Y HN 0.900 nan 8.280 nan 0.000 0.427 77 H N 2.067 120.877 119.070 -0.434 0.000 1.452 77 H HA -0.292 4.263 4.556 -0.000 0.000 0.090 77 H C 1.711 176.995 175.328 -0.073 0.000 0.989 77 H CA 1.963 57.836 56.048 -0.290 0.000 1.901 77 H CB -1.412 28.125 29.762 -0.376 0.000 2.257 77 H HN 0.840 nan 8.280 nan 0.000 0.961 78 G N 0.417 109.306 108.800 0.149 0.000 2.598 78 G HA2 0.143 4.103 3.960 -0.000 0.000 0.215 78 G HA3 0.143 4.103 3.960 -0.000 0.000 0.215 78 G C 0.040 174.761 174.900 -0.297 0.000 1.131 78 G CA 0.473 45.496 45.100 -0.128 0.000 0.785 78 G HN 0.175 nan 8.290 nan 0.000 0.539 79 F N 1.250 121.229 119.950 0.049 0.000 2.415 79 F HA 0.503 5.030 4.527 -0.000 0.000 0.348 79 F C 0.427 176.243 175.800 0.027 0.000 1.119 79 F CA -0.770 57.252 58.000 0.037 0.000 1.069 79 F CB 1.997 41.026 39.000 0.049 0.000 1.124 79 F HN -0.192 nan 8.300 nan 0.000 0.472 80 S N 1.661 117.435 115.700 0.124 0.000 2.617 80 S HA 0.236 4.706 4.470 -0.000 0.000 0.283 80 S C -0.492 174.150 174.600 0.070 0.000 1.189 80 S CA -0.951 57.294 58.200 0.076 0.000 1.036 80 S CB 1.399 64.614 63.200 0.025 0.000 1.014 80 S HN 0.656 nan 8.310 nan 0.000 0.522 81 Q N 0.378 120.202 119.800 0.040 0.000 2.262 81 Q HA 0.289 4.629 4.340 -0.000 0.000 0.298 81 Q C 1.123 177.128 176.000 0.008 0.000 1.083 81 Q CA 1.161 56.970 55.803 0.011 0.000 0.962 81 Q CB -0.368 28.369 28.738 -0.001 0.000 1.104 81 Q HN 1.092 nan 8.270 nan 0.000 0.376 82 G N 3.584 112.383 108.800 -0.001 0.000 2.213 82 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.236 82 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.236 82 G C -0.450 174.463 174.900 0.022 0.000 0.991 82 G CA -0.024 45.079 45.100 0.005 0.000 0.629 82 G HN 0.705 nan 8.290 nan 0.000 0.517 83 D N 0.897 121.322 120.400 0.042 0.000 2.455 83 D HA 0.421 5.061 4.640 -0.000 0.000 0.241 83 D C 1.075 177.418 176.300 0.071 0.000 1.138 83 D CA 0.282 54.324 54.000 0.071 0.000 0.877 83 D CB 0.673 41.551 40.800 0.130 0.000 1.187 83 D HN 0.379 nan 8.370 nan 0.000 0.451 84 L N 1.935 123.206 121.223 0.079 0.000 2.312 84 L HA 0.490 4.830 4.340 -0.000 0.000 0.281 84 L C 0.159 177.097 176.870 0.113 0.000 1.070 84 L CA -0.846 54.045 54.840 0.085 0.000 0.805 84 L CB 1.130 43.250 42.059 0.102 0.000 1.174 84 L HN 0.162 nan 8.230 nan 0.000 0.434 85 V N 1.443 121.414 119.914 0.095 0.000 3.007 85 V HA 0.671 4.791 4.120 -0.000 0.000 0.311 85 V C -0.692 175.474 176.094 0.121 0.000 1.120 85 V CA -0.841 61.527 62.300 0.112 0.000 0.980 85 V CB 2.096 33.945 31.823 0.043 0.000 1.033 85 V HN 0.864 nan 8.190 nan 0.000 0.429 86 M N 5.206 124.886 119.600 0.134 0.000 2.321 86 M HA 0.700 5.180 4.480 -0.000 0.000 0.315 86 M C -2.964 173.369 176.300 0.054 0.000 1.052 86 M CA -1.901 53.481 55.300 0.137 0.000 0.936 86 M CB 2.912 35.646 32.600 0.224 0.000 1.639 86 M HN 0.646 nan 8.290 nan 0.000 0.433 87 P HA 0.211 nan 4.420 nan 0.000 0.286 87 P C -0.981 176.203 177.300 -0.194 0.000 1.261 87 P CA -0.398 62.607 63.100 -0.159 0.000 0.821 87 P CB 1.341 32.719 31.700 -0.536 0.000 1.013 88 V N 3.694 123.445 119.914 -0.272 0.000 2.555 88 V HA -0.016 4.104 4.120 -0.000 0.000 0.286 88 V C 1.929 178.000 176.094 -0.039 0.000 1.044 88 V CA 0.338 62.378 62.300 -0.433 0.000 1.026 88 V CB -0.067 31.525 31.823 -0.384 0.000 0.981 88 V HN 0.704 nan 8.190 nan 0.000 0.480 89 N N 4.393 123.186 118.700 0.154 0.000 2.336 89 N HA -0.016 4.724 4.740 -0.000 0.000 0.177 89 N C 1.082 176.642 175.510 0.083 0.000 1.018 89 N CA -0.043 53.142 53.050 0.225 0.000 0.878 89 N CB 0.256 38.962 38.487 0.366 0.000 0.997 89 N HN 0.584 nan 8.380 nan 0.000 0.433 90 R N 1.007 121.551 120.500 0.073 0.000 2.297 90 R HA 0.316 4.656 4.340 -0.000 0.000 0.308 90 R C -0.834 175.466 176.300 -0.001 0.000 1.029 90 R CA -0.475 55.639 56.100 0.024 0.000 0.929 90 R CB 0.672 30.931 30.300 -0.067 0.000 1.046 90 R HN 0.226 nan 8.270 nan 0.000 0.461 91 R N 1.864 122.363 120.500 -0.002 0.000 2.854 91 R HA 0.367 4.707 4.340 -0.000 0.000 0.271 91 R C -0.177 176.182 176.300 0.097 0.000 0.994 91 R CA -0.946 55.135 56.100 -0.031 0.000 0.945 91 R CB 1.877 31.975 30.300 -0.336 0.000 1.194 91 R HN 0.776 nan 8.270 nan 0.000 0.476 92 G N -0.237 108.646 108.800 0.137 0.000 2.594 92 G HA2 0.105 4.065 3.960 -0.000 0.000 0.243 92 G HA3 0.105 4.065 3.960 -0.000 0.000 0.243 92 G C 0.976 175.970 174.900 0.156 0.000 1.229 92 G CA -0.544 44.655 45.100 0.165 0.000 0.843 92 G HN 0.893 nan 8.290 nan 0.000 0.578 93 C N -0.214 119.187 119.300 0.168 0.000 2.562 93 C HA 0.446 4.906 4.460 -0.000 0.000 0.266 93 C C 2.206 177.250 174.990 0.091 0.000 1.382 93 C CA 0.199 59.292 59.018 0.126 0.000 1.742 93 C CB -1.064 26.755 27.740 0.131 0.000 1.812 93 C HN 1.905 nan 8.230 nan 0.000 0.559 94 G N 1.171 110.029 108.800 0.097 0.000 2.189 94 G HA2 -0.308 3.651 3.960 -0.000 0.000 0.267 94 G HA3 -0.308 3.651 3.960 -0.000 0.000 0.267 94 G C 0.508 175.448 174.900 0.067 0.000 0.975 94 G CA 0.978 46.126 45.100 0.080 0.000 0.644 94 G HN 0.637 nan 8.290 nan 0.000 0.537 95 I N -0.021 120.590 120.570 0.069 0.000 3.443 95 I HA 0.170 4.340 4.170 -0.000 0.000 0.277 95 I C 1.992 178.145 176.117 0.060 0.000 1.169 95 I CA 0.500 61.834 61.300 0.057 0.000 1.419 95 I CB 0.117 38.147 38.000 0.050 0.000 1.331 95 I HN 0.501 nan 8.210 nan 0.000 0.458 96 C N 0.592 119.936 119.300 0.074 0.000 2.382 96 C HA 0.389 4.849 4.460 -0.000 0.000 0.363 96 C C 1.947 176.980 174.990 0.071 0.000 1.213 96 C CA -0.671 58.391 59.018 0.073 0.000 2.363 96 C CB 1.528 29.321 27.740 0.089 0.000 2.397 96 C HN 0.377 nan 8.230 nan 0.000 0.573 97 R N 0.974 121.511 120.500 0.061 0.000 2.096 97 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 97 R C 2.106 178.442 176.300 0.061 0.000 1.127 97 R CA 1.905 58.036 56.100 0.052 0.000 0.968 97 R CB -0.273 30.050 30.300 0.037 0.000 0.861 97 R HN 0.749 nan 8.270 nan 0.000 0.440 98 N N 0.355 119.103 118.700 0.081 0.000 2.120 98 N HA -0.157 4.583 4.740 -0.000 0.000 0.188 98 N C 1.801 177.377 175.510 0.111 0.000 1.024 98 N CA 1.328 54.439 53.050 0.102 0.000 0.852 98 N CB -0.313 38.269 38.487 0.159 0.000 1.003 98 N HN 0.260 nan 8.380 nan 0.000 0.424 99 C N 0.953 120.322 119.300 0.115 0.000 2.440 99 C HA 0.056 4.516 4.460 -0.000 0.000 0.278 99 C C 2.812 177.861 174.990 0.099 0.000 1.295 99 C CA 0.058 59.147 59.018 0.119 0.000 1.738 99 C CB -1.133 26.686 27.740 0.131 0.000 1.987 99 C HN 0.412 nan 8.230 nan 0.000 0.492 100 L N 1.121 122.393 121.223 0.081 0.000 2.201 100 L HA -0.068 4.272 4.340 -0.000 0.000 0.212 100 L C 2.143 179.043 176.870 0.051 0.000 1.105 100 L CA 1.209 56.088 54.840 0.064 0.000 0.775 100 L CB -0.437 41.654 42.059 0.053 0.000 0.913 100 L HN 0.416 nan 8.230 nan 0.000 0.440 101 V N -3.101 116.844 119.914 0.051 0.000 3.499 101 V HA 0.429 4.549 4.120 -0.000 0.000 0.308 101 V C 1.160 177.280 176.094 0.043 0.000 1.319 101 V CA 0.304 62.627 62.300 0.037 0.000 1.194 101 V CB -0.604 31.235 31.823 0.026 0.000 1.072 101 V HN 0.471 nan 8.190 nan 0.000 0.426 102 G N 1.221 110.057 108.800 0.061 0.000 2.160 102 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.244 102 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.244 102 G C 0.178 175.135 174.900 0.096 0.000 1.022 102 G CA 0.228 45.368 45.100 0.067 0.000 0.741 102 G HN 0.519 nan 8.290 nan 0.000 0.508 103 R N -0.231 120.339 120.500 0.117 0.000 2.835 103 R HA 0.272 4.612 4.340 -0.000 0.000 0.290 103 R C -1.833 174.567 176.300 0.167 0.000 1.410 103 R CA -1.494 54.706 56.100 0.167 0.000 1.590 103 R CB 1.125 31.540 30.300 0.193 0.000 1.288 103 R HN 0.278 nan 8.270 nan 0.000 0.637 104 P HA -0.089 nan 4.420 nan 0.000 0.242 104 P C 0.409 177.626 177.300 -0.139 0.000 1.197 104 P CA 0.642 63.761 63.100 0.032 0.000 0.765 104 P CB 0.309 32.029 31.700 0.033 0.000 0.936 105 D N -0.505 119.850 120.400 -0.074 0.000 2.263 105 D HA -0.168 4.472 4.640 -0.000 0.000 0.208 105 D C 0.779 176.847 176.300 -0.387 0.000 0.971 105 D CA 0.791 54.645 54.000 -0.243 0.000 0.867 105 D CB -0.940 39.783 40.800 -0.128 0.000 0.929 105 D HN 0.233 nan 8.370 nan 0.000 0.492 106 F N 0.716 120.649 119.950 -0.029 0.000 2.708 106 F HA 0.198 4.725 4.527 -0.000 0.000 0.300 106 F C 0.728 176.546 175.800 0.030 0.000 1.118 106 F CA -1.075 56.929 58.000 0.006 0.000 1.307 106 F CB 0.268 39.284 39.000 0.027 0.000 0.986 106 F HN -0.061 nan 8.300 nan 0.000 0.522 107 C N 1.501 120.873 119.300 0.120 0.000 2.596 107 C HA -0.022 4.438 4.460 -0.000 0.000 0.414 107 C C 1.777 176.877 174.990 0.183 0.000 1.396 107 C CA 0.325 59.452 59.018 0.181 0.000 1.698 107 C CB -0.147 27.773 27.740 0.298 0.000 2.572 107 C HN 0.690 nan 8.230 nan 0.000 0.604 108 E N 1.488 121.781 120.200 0.155 0.000 2.474 108 E HA -0.041 4.309 4.350 -0.000 0.000 0.194 108 E C 1.764 178.423 176.600 0.099 0.000 1.041 108 E CA 1.107 57.579 56.400 0.120 0.000 0.874 108 E CB 0.277 30.035 29.700 0.097 0.000 0.914 108 E HN 0.985 nan 8.360 nan 0.000 0.498 109 T N -3.906 110.715 114.554 0.112 0.000 3.001 109 T HA 0.217 4.567 4.350 -0.000 0.000 0.251 109 T C 1.673 176.395 174.700 0.038 0.000 1.040 109 T CA 0.399 62.538 62.100 0.066 0.000 0.985 109 T CB 0.627 69.528 68.868 0.055 0.000 1.011 109 T HN 0.160 nan 8.240 nan 0.000 0.509 110 G N 1.875 110.735 108.800 0.099 0.000 2.175 110 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.265 110 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.265 110 G C 0.558 175.231 174.900 -0.379 0.000 0.979 110 G CA 0.459 45.535 45.100 -0.040 0.000 0.663 110 G HN 0.532 nan 8.290 nan 0.000 0.533 111 E N 0.009 120.116 120.200 -0.155 0.000 2.368 111 E HA 0.230 4.580 4.350 -0.000 0.000 0.188 111 E C 1.077 177.631 176.600 -0.077 0.000 1.061 111 E CA -0.409 55.905 56.400 -0.143 0.000 0.933 111 E CB -0.462 29.223 29.700 -0.026 0.000 1.091 111 E HN 0.683 nan 8.360 nan 0.000 0.458 112 F N -0.384 119.616 119.950 0.082 0.000 2.490 112 F HA 0.510 5.037 4.527 -0.000 0.000 0.336 112 F C 1.122 176.986 175.800 0.107 0.000 1.178 112 F CA -1.137 56.906 58.000 0.070 0.000 1.301 112 F CB 0.257 39.287 39.000 0.050 0.000 1.175 112 F HN -0.155 nan 8.300 nan 0.000 0.593 113 G N 0.509 109.454 108.800 0.242 0.000 2.425 113 G HA2 0.520 4.479 3.960 -0.000 0.000 0.302 113 G HA3 0.520 4.479 3.960 -0.000 0.000 0.302 113 G C -1.446 173.581 174.900 0.211 0.000 1.159 113 G CA -0.847 44.312 45.100 0.098 0.000 0.865 113 G HN 0.758 nan 8.290 nan 0.000 0.515 114 E N 0.302 120.589 120.200 0.145 0.000 2.255 114 E HA 0.452 4.802 4.350 -0.000 0.000 0.256 114 E C -0.100 176.496 176.600 -0.007 0.000 0.887 114 E CA -0.718 55.752 56.400 0.117 0.000 0.782 114 E CB 1.985 31.802 29.700 0.196 0.000 1.214 114 E HN 0.685 nan 8.360 nan 0.000 0.417 115 A N 2.090 124.864 122.820 -0.077 0.000 2.546 115 A HA 0.385 4.705 4.320 -0.000 0.000 0.243 115 A C 1.384 178.891 177.584 -0.128 0.000 1.063 115 A CA 1.023 52.923 52.037 -0.228 0.000 0.757 115 A CB -0.428 18.328 19.000 -0.406 0.000 0.991 115 A HN 0.971 nan 8.150 nan 0.000 0.503 116 G N 1.296 109.995 108.800 -0.167 0.000 2.168 116 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.263 116 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.263 116 G C 0.465 175.381 174.900 0.026 0.000 0.977 116 G CA 0.688 45.751 45.100 -0.061 0.000 0.659 116 G HN 0.819 nan 8.290 nan 0.000 0.533 117 I N -1.860 118.724 120.570 0.023 0.000 3.814 117 I HA 0.281 4.451 4.170 -0.000 0.000 0.264 117 I C 0.496 176.674 176.117 0.101 0.000 1.145 117 I CA 1.128 62.464 61.300 0.061 0.000 1.375 117 I CB -0.085 37.949 38.000 0.057 0.000 1.638 117 I HN 0.277 nan 8.210 nan 0.000 0.432 118 H N 2.032 121.083 119.070 -0.032 0.000 3.096 118 H HA 0.382 4.938 4.556 -0.000 0.000 0.335 118 H C -0.110 175.185 175.328 -0.055 0.000 0.990 118 H CA -0.553 55.466 56.048 -0.048 0.000 1.393 118 H CB 1.162 30.885 29.762 -0.065 0.000 1.742 118 H HN 0.152 nan 8.280 nan 0.000 0.501 119 K N 3.137 123.250 120.400 -0.479 0.000 3.547 119 K HA -0.163 4.157 4.320 -0.000 0.000 0.309 119 K C -0.758 175.715 176.600 -0.212 0.000 1.324 119 K CA 1.449 57.469 56.287 -0.444 0.000 0.988 119 K CB -0.988 31.107 32.500 -0.675 0.000 1.261 119 K HN 0.645 nan 8.250 nan 0.000 0.444 120 M N 1.054 120.563 119.600 -0.151 0.000 2.271 120 M HA 0.208 4.688 4.480 -0.000 0.000 0.285 120 M C -1.019 175.233 176.300 -0.079 0.000 1.059 120 M CA -0.771 54.492 55.300 -0.062 0.000 0.940 120 M CB 2.095 34.591 32.600 -0.173 0.000 1.636 120 M HN -0.113 nan 8.290 nan 0.000 0.460 121 D N 2.446 122.830 120.400 -0.027 0.000 2.488 121 D HA 0.160 4.800 4.640 -0.000 0.000 0.238 121 D C 0.483 176.595 176.300 -0.314 0.000 1.138 121 D CA 0.768 54.703 54.000 -0.110 0.000 0.873 121 D CB 1.181 41.927 40.800 -0.091 0.000 1.183 121 D HN 0.776 nan 8.370 nan 0.000 0.458 122 G N 0.624 109.189 108.800 -0.393 0.000 2.504 122 G HA2 0.222 4.182 3.960 -0.000 0.000 0.257 122 G HA3 0.222 4.182 3.960 -0.000 0.000 0.257 122 G C 0.061 174.407 174.900 -0.924 0.000 1.451 122 G CA -0.311 44.325 45.100 -0.773 0.000 1.059 122 G HN 0.434 nan 8.290 nan 0.000 0.550 123 F N -0.896 118.883 119.950 -0.284 0.000 2.688 123 F HA 0.395 4.922 4.527 -0.000 0.000 0.310 123 F C 1.330 176.954 175.800 -0.293 0.000 1.098 123 F CA -0.225 57.471 58.000 -0.507 0.000 1.228 123 F CB 0.258 38.800 39.000 -0.763 0.000 1.042 123 F HN -0.024 nan 8.300 nan 0.000 0.557 124 M N 3.003 122.604 119.600 0.002 0.000 3.422 124 M HA 0.269 4.749 4.480 -0.000 0.000 0.248 124 M C -0.192 176.182 176.300 0.124 0.000 1.433 124 M CA 0.423 55.832 55.300 0.181 0.000 1.592 124 M CB -0.474 32.288 32.600 0.269 0.000 1.078 124 M HN 0.102 nan 8.290 nan 0.000 0.578 125 R N -1.245 119.087 120.500 -0.279 0.000 2.710 125 R HA 0.431 4.771 4.340 -0.000 0.000 0.270 125 R C -0.285 175.523 176.300 -0.820 0.000 1.021 125 R CA -1.003 54.891 56.100 -0.344 0.000 0.889 125 R CB 1.174 31.358 30.300 -0.194 0.000 1.243 125 R HN 0.193 nan 8.270 nan 0.000 0.464 126 E N 0.915 120.786 120.200 -0.548 0.000 2.130 126 E HA -0.102 4.248 4.350 -0.000 0.000 0.196 126 E C -0.185 176.324 176.600 -0.152 0.000 0.998 126 E CA 2.078 58.256 56.400 -0.370 0.000 0.806 126 E CB 0.066 29.766 29.700 -0.001 0.000 0.738 126 E HN 0.551 nan 8.360 nan 0.000 0.459 127 W N -0.906 120.332 121.300 -0.103 0.000 3.146 127 W HA 0.413 5.073 4.660 -0.000 0.000 0.319 127 W C -1.886 174.722 176.519 0.148 0.000 1.258 127 W CA -1.245 56.068 57.345 -0.055 0.000 1.189 127 W CB -0.184 29.158 29.460 -0.196 0.000 1.412 127 W HN -0.021 nan 8.180 nan 0.000 0.567 128 W N 0.683 122.124 121.300 0.235 0.000 3.042 128 W HA 0.741 5.401 4.660 -0.000 0.000 0.342 128 W C -2.409 174.184 176.519 0.125 0.000 1.240 128 W CA -1.821 55.659 57.345 0.226 0.000 1.166 128 W CB 0.833 30.411 29.460 0.196 0.000 1.469 128 W HN 0.301 nan 8.180 nan 0.000 0.579 129 Y N 2.288 122.742 120.300 0.256 0.000 2.330 129 Y HA 0.432 4.982 4.550 -0.000 0.000 0.336 129 Y C 0.130 176.114 175.900 0.140 0.000 1.036 129 Y CA 0.148 58.256 58.100 0.013 0.000 1.125 129 Y CB 1.348 39.824 38.460 0.027 0.000 1.194 129 Y HN 0.350 nan 8.280 nan 0.000 0.469 130 D N 0.650 121.120 120.400 0.118 0.000 2.559 130 D HA 0.131 4.771 4.640 -0.000 0.000 0.250 130 D C -1.732 174.637 176.300 0.114 0.000 1.135 130 D CA -0.544 53.619 54.000 0.272 0.000 0.955 130 D CB 2.201 43.204 40.800 0.339 0.000 1.442 130 D HN 0.489 nan 8.370 nan 0.000 0.471 131 D N 0.611 121.142 120.400 0.218 0.000 2.198 131 D HA 0.218 4.858 4.640 -0.000 0.000 0.245 131 D C -1.589 174.737 176.300 0.043 0.000 1.079 131 D CA -1.945 52.142 54.000 0.144 0.000 0.854 131 D CB 2.224 43.190 40.800 0.277 0.000 1.148 131 D HN -0.002 nan 8.370 nan 0.000 0.456 132 P HA -0.230 nan 4.420 nan 0.000 0.217 132 P C 1.136 178.458 177.300 0.036 0.000 1.148 132 P CA 1.454 64.515 63.100 -0.065 0.000 0.834 132 P CB 0.063 31.906 31.700 0.239 0.000 0.783 133 K N -0.693 119.679 120.400 -0.047 0.000 2.280 133 K HA -0.152 4.168 4.320 -0.000 0.000 0.202 133 K C 1.080 177.475 176.600 -0.341 0.000 1.047 133 K CA 1.282 57.440 56.287 -0.215 0.000 0.942 133 K CB -0.742 31.538 32.500 -0.365 0.000 0.739 133 K HN 0.144 nan 8.250 nan 0.000 0.457 134 Y N 1.351 121.657 120.300 0.010 0.000 2.524 134 Y HA 0.347 4.897 4.550 -0.000 0.000 0.266 134 Y C 0.167 176.026 175.900 -0.069 0.000 1.180 134 Y CA -0.449 57.628 58.100 -0.037 0.000 1.244 134 Y CB 0.375 38.828 38.460 -0.012 0.000 1.125 134 Y HN -0.103 nan 8.280 nan 0.000 0.524 135 L N 0.454 121.710 121.223 0.056 0.000 2.317 135 L HA 0.571 4.910 4.340 -0.000 0.000 0.281 135 L C -0.641 176.310 176.870 0.134 0.000 1.024 135 L CA -1.004 53.859 54.840 0.039 0.000 0.810 135 L CB 1.829 43.795 42.059 -0.154 0.000 1.240 135 L HN -0.299 nan 8.230 nan 0.000 0.427 136 V N 2.836 122.816 119.914 0.110 0.000 2.417 136 V HA 0.272 4.392 4.120 -0.000 0.000 0.291 136 V C 0.031 176.239 176.094 0.190 0.000 1.024 136 V CA -0.994 61.388 62.300 0.138 0.000 0.861 136 V CB 1.678 33.577 31.823 0.128 0.000 0.985 136 V HN 0.641 nan 8.190 nan 0.000 0.436 137 K N 5.054 125.561 120.400 0.179 0.000 2.416 137 K HA 0.345 4.665 4.320 -0.000 0.000 0.283 137 K C -0.648 176.013 176.600 0.102 0.000 1.037 137 K CA -0.083 56.291 56.287 0.146 0.000 0.995 137 K CB 0.479 33.003 32.500 0.041 0.000 0.938 137 K HN 0.407 nan 8.250 nan 0.000 0.475 138 I N 6.016 126.650 120.570 0.106 0.000 2.328 138 I HA 0.216 4.386 4.170 -0.000 0.000 0.287 138 I C -2.197 173.956 176.117 0.060 0.000 1.012 138 I CA -3.089 58.261 61.300 0.083 0.000 1.195 138 I CB 0.705 38.769 38.000 0.106 0.000 1.350 138 I HN 0.291 nan 8.210 nan 0.000 0.464 139 P HA 0.138 nan 4.420 nan 0.000 0.268 139 P C 0.775 178.095 177.300 0.033 0.000 1.205 139 P CA -0.169 62.944 63.100 0.022 0.000 0.771 139 P CB 0.878 32.579 31.700 0.001 0.000 0.858 140 K N 1.275 121.695 120.400 0.035 0.000 2.218 140 K HA -0.150 4.170 4.320 -0.000 0.000 0.205 140 K C 1.812 178.433 176.600 0.036 0.000 1.046 140 K CA 1.949 58.262 56.287 0.044 0.000 0.933 140 K CB -0.305 32.218 32.500 0.038 0.000 0.728 140 K HN 0.560 nan 8.250 nan 0.000 0.454 141 S N 0.904 116.617 115.700 0.021 0.000 2.507 141 S HA -0.083 4.387 4.470 -0.000 0.000 0.235 141 S C 1.491 176.099 174.600 0.013 0.000 0.988 141 S CA 0.720 58.929 58.200 0.015 0.000 0.944 141 S CB -0.553 62.650 63.200 0.005 0.000 0.762 141 S HN 0.468 nan 8.310 nan 0.000 0.526 142 I N -1.996 118.581 120.570 0.013 0.000 3.707 142 I HA 0.468 4.638 4.170 -0.000 0.000 0.330 142 I C 1.370 177.493 176.117 0.010 0.000 1.572 142 I CA -0.441 60.863 61.300 0.006 0.000 1.104 142 I CB 0.092 38.085 38.000 -0.012 0.000 1.240 142 I HN 0.079 nan 8.210 nan 0.000 0.475 143 E N 2.754 122.972 120.200 0.030 0.000 2.085 143 E HA -0.290 4.059 4.350 -0.000 0.000 0.194 143 E C 1.545 178.115 176.600 -0.050 0.000 0.994 143 E CA 2.320 58.751 56.400 0.050 0.000 0.801 143 E CB 0.120 29.889 29.700 0.114 0.000 0.743 143 E HN 0.781 nan 8.360 nan 0.000 0.453 144 D N 0.766 121.135 120.400 -0.052 0.000 2.144 144 D HA -0.201 4.439 4.640 -0.000 0.000 0.199 144 D C 2.004 178.222 176.300 -0.137 0.000 0.984 144 D CA 1.574 55.505 54.000 -0.114 0.000 0.834 144 D CB -0.564 40.209 40.800 -0.044 0.000 0.955 144 D HN 0.601 nan 8.370 nan 0.000 0.465 145 I N -3.930 116.600 120.570 -0.067 0.000 4.082 145 I HA 0.503 4.673 4.170 -0.000 0.000 0.337 145 I C 1.806 177.904 176.117 -0.031 0.000 1.352 145 I CA -0.100 61.177 61.300 -0.038 0.000 1.097 145 I CB 0.400 38.414 38.000 0.023 0.000 1.048 145 I HN -0.059 nan 8.210 nan 0.000 0.393 146 G N 1.756 110.534 108.800 -0.036 0.000 2.509 146 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.218 146 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.218 146 G C 1.381 176.288 174.900 0.011 0.000 1.124 146 G CA 0.532 45.629 45.100 -0.005 0.000 0.776 146 G HN 0.415 nan 8.290 nan 0.000 0.547 147 I N 0.647 121.211 120.570 -0.011 0.000 2.567 147 I HA -0.047 4.123 4.170 -0.000 0.000 0.257 147 I C 2.255 178.379 176.117 0.012 0.000 1.184 147 I CA 0.685 61.999 61.300 0.024 0.000 1.451 147 I CB -0.040 37.965 38.000 0.008 0.000 1.089 147 I HN 0.122 nan 8.210 nan 0.000 0.441 148 L N -0.041 121.178 121.223 -0.006 0.000 2.551 148 L HA -0.038 4.302 4.340 -0.000 0.000 0.228 148 L C 2.476 179.311 176.870 -0.059 0.000 1.153 148 L CA 0.656 55.489 54.840 -0.012 0.000 0.851 148 L CB -0.780 41.293 42.059 0.024 0.000 0.959 148 L HN 0.274 nan 8.230 nan 0.000 0.451 149 A N -0.403 122.377 122.820 -0.065 0.000 1.972 149 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 149 A C 2.331 179.715 177.584 -0.334 0.000 1.169 149 A CA 1.362 53.320 52.037 -0.132 0.000 0.635 149 A CB -0.323 18.661 19.000 -0.026 0.000 0.810 149 A HN 0.392 nan 8.150 nan 0.000 0.446 150 Q N -0.080 119.563 119.800 -0.261 0.000 1.990 150 Q HA -0.096 4.244 4.340 -0.000 0.000 0.200 150 Q C -0.654 175.167 176.000 -0.298 0.000 0.980 150 Q CA 2.080 57.635 55.803 -0.414 0.000 0.832 150 Q CB -1.033 27.711 28.738 0.011 0.000 0.897 150 Q HN 0.488 nan 8.270 nan 0.000 0.427 151 P HA -0.128 nan 4.420 nan 0.000 0.219 151 P C 1.681 178.887 177.300 -0.157 0.000 1.150 151 P CA 0.769 63.828 63.100 -0.069 0.000 0.814 151 P CB -0.217 31.474 31.700 -0.015 0.000 0.787 152 L N 0.390 121.507 121.223 -0.176 0.000 2.083 152 L HA -0.062 4.278 4.340 -0.000 0.000 0.209 152 L C 2.444 179.182 176.870 -0.220 0.000 1.083 152 L CA 1.799 56.530 54.840 -0.182 0.000 0.752 152 L CB -1.609 40.377 42.059 -0.121 0.000 0.899 152 L HN -0.095 nan 8.230 nan 0.000 0.433 153 A N -0.647 121.989 122.820 -0.307 0.000 1.917 153 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 153 A C 1.968 179.470 177.584 -0.137 0.000 1.182 153 A CA 2.020 53.907 52.037 -0.251 0.000 0.633 153 A CB -0.853 17.782 19.000 -0.607 0.000 0.819 153 A HN 0.548 nan 8.150 nan 0.000 0.448 154 D N -0.331 119.993 120.400 -0.126 0.000 2.144 154 D HA -0.116 4.524 4.640 -0.000 0.000 0.199 154 D C 1.679 177.911 176.300 -0.113 0.000 0.984 154 D CA 1.139 55.137 54.000 -0.003 0.000 0.834 154 D CB -0.320 40.614 40.800 0.223 0.000 0.955 154 D HN 0.420 nan 8.370 nan 0.000 0.465 155 I N 1.406 121.761 120.570 -0.358 0.000 2.286 155 I HA -0.161 4.009 4.170 -0.000 0.000 0.245 155 I C 2.270 178.166 176.117 -0.368 0.000 1.104 155 I CA 0.870 61.767 61.300 -0.671 0.000 1.397 155 I CB -0.281 37.153 38.000 -0.943 0.000 1.072 155 I HN -0.100 nan 8.210 nan 0.000 0.417 156 E N 0.655 120.733 120.200 -0.204 0.000 2.070 156 E HA -0.290 4.060 4.350 -0.000 0.000 0.197 156 E C 2.174 178.736 176.600 -0.063 0.000 1.004 156 E CA 1.159 57.539 56.400 -0.034 0.000 0.805 156 E CB -0.434 29.328 29.700 0.104 0.000 0.744 156 E HN 0.364 nan 8.360 nan 0.000 0.451 157 K N 1.157 121.374 120.400 -0.304 0.000 2.057 157 K HA -0.082 4.238 4.320 -0.000 0.000 0.207 157 K C 2.219 178.763 176.600 -0.094 0.000 1.049 157 K CA 1.230 57.198 56.287 -0.531 0.000 0.931 157 K CB -0.158 31.908 32.500 -0.723 0.000 0.714 157 K HN -0.048 nan 8.250 nan 0.000 0.440 158 S N 1.407 117.111 115.700 0.007 0.000 2.356 158 S HA -0.081 4.389 4.470 -0.000 0.000 0.223 158 S C 2.115 176.846 174.600 0.218 0.000 1.032 158 S CA 1.417 59.735 58.200 0.196 0.000 1.005 158 S CB -0.227 63.214 63.200 0.402 0.000 0.867 158 S HN 0.298 nan 8.310 nan 0.000 0.449 159 I N 1.442 122.093 120.570 0.136 0.000 2.202 159 I HA -0.193 3.977 4.170 -0.000 0.000 0.242 159 I C 2.714 178.935 176.117 0.174 0.000 1.091 159 I CA 1.343 62.721 61.300 0.131 0.000 1.368 159 I CB -0.523 37.422 38.000 -0.092 0.000 1.058 159 I HN 0.390 nan 8.210 nan 0.000 0.410 160 E N 1.383 121.676 120.200 0.155 0.000 2.086 160 E HA -0.346 4.004 4.350 -0.000 0.000 0.200 160 E C 2.101 178.786 176.600 0.140 0.000 1.012 160 E CA 2.097 58.587 56.400 0.151 0.000 0.812 160 E CB -0.108 29.704 29.700 0.187 0.000 0.743 160 E HN 0.489 nan 8.360 nan 0.000 0.453 161 E N 0.054 120.345 120.200 0.151 0.000 2.077 161 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 161 E C 2.236 178.910 176.600 0.123 0.000 0.989 161 E CA 1.330 57.824 56.400 0.156 0.000 0.800 161 E CB -0.116 29.703 29.700 0.198 0.000 0.746 161 E HN 0.387 nan 8.360 nan 0.000 0.452 162 I N 0.882 121.542 120.570 0.150 0.000 2.179 162 I HA -0.309 3.861 4.170 -0.000 0.000 0.242 162 I C 2.387 178.538 176.117 0.056 0.000 1.088 162 I CA 0.967 62.341 61.300 0.123 0.000 1.357 162 I CB -0.232 37.915 38.000 0.246 0.000 1.051 162 I HN 0.207 nan 8.210 nan 0.000 0.409 163 L N 0.175 121.473 121.223 0.126 0.000 2.083 163 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 163 L C 2.460 179.349 176.870 0.032 0.000 1.083 163 L CA 1.432 56.335 54.840 0.104 0.000 0.752 163 L CB -0.685 41.461 42.059 0.146 0.000 0.899 163 L HN 0.284 nan 8.230 nan 0.000 0.433 164 E N -0.150 120.074 120.200 0.040 0.000 2.051 164 E HA -0.193 4.156 4.350 -0.000 0.000 0.192 164 E C 2.312 178.900 176.600 -0.019 0.000 0.991 164 E CA 1.338 57.749 56.400 0.019 0.000 0.799 164 E CB -0.128 29.592 29.700 0.034 0.000 0.748 164 E HN 0.209 nan 8.360 nan 0.000 0.449 165 V N 1.564 121.461 119.914 -0.029 0.000 2.324 165 V HA -0.266 3.854 4.120 -0.000 0.000 0.250 165 V C 2.132 178.137 176.094 -0.147 0.000 1.060 165 V CA 1.626 63.886 62.300 -0.068 0.000 1.042 165 V CB -0.393 31.400 31.823 -0.051 0.000 0.650 165 V HN 0.290 nan 8.190 nan 0.000 0.450 166 Q N -0.406 119.247 119.800 -0.245 0.000 2.488 166 Q HA -0.084 4.256 4.340 -0.000 0.000 0.211 166 Q C 2.059 177.930 176.000 -0.213 0.000 0.967 166 Q CA 0.626 56.164 55.803 -0.442 0.000 0.926 166 Q CB -0.264 27.860 28.738 -1.024 0.000 0.992 166 Q HN 0.634 nan 8.270 nan 0.000 0.506 167 K N 0.765 121.114 120.400 -0.085 0.000 2.360 167 K HA -0.128 4.192 4.320 -0.000 0.000 0.201 167 K C 1.940 178.526 176.600 -0.023 0.000 1.046 167 K CA 0.724 57.001 56.287 -0.016 0.000 0.945 167 K CB -0.074 32.427 32.500 0.003 0.000 0.750 167 K HN 0.236 nan 8.250 nan 0.000 0.464 168 R N 0.686 121.152 120.500 -0.056 0.000 2.159 168 R HA -0.070 4.270 4.340 -0.000 0.000 0.237 168 R C 0.308 176.590 176.300 -0.031 0.000 1.131 168 R CA 0.830 56.903 56.100 -0.045 0.000 0.982 168 R CB -0.641 29.622 30.300 -0.061 0.000 0.868 168 R HN -0.114 nan 8.270 nan 0.000 0.453 169 V N 3.459 123.347 119.914 -0.043 0.000 2.455 169 V HA 0.095 4.215 4.120 -0.000 0.000 0.273 169 V C -1.368 174.765 176.094 0.065 0.000 1.045 169 V CA -1.342 60.966 62.300 0.013 0.000 0.976 169 V CB 1.397 33.230 31.823 0.017 0.000 0.993 169 V HN 0.104 nan 8.190 nan 0.000 0.475 170 P HA -0.099 nan 4.420 nan 0.000 0.215 170 P C 0.114 177.466 177.300 0.086 0.000 1.157 170 P CA 1.144 64.281 63.100 0.060 0.000 0.874 170 P CB 0.191 31.919 31.700 0.048 0.000 0.790 171 V N -1.394 118.590 119.914 0.116 0.000 2.462 171 V HA 0.193 4.313 4.120 -0.000 0.000 0.288 171 V C -0.651 175.575 176.094 0.220 0.000 1.020 171 V CA -0.513 61.867 62.300 0.132 0.000 0.857 171 V CB 1.705 33.576 31.823 0.081 0.000 1.013 171 V HN 0.093 nan 8.190 nan 0.000 0.431 172 W N 4.084 125.397 121.300 0.022 0.000 3.127 172 W HA 0.213 4.873 4.660 -0.000 0.000 0.344 172 W C 1.411 177.948 176.519 0.031 0.000 1.151 172 W CA 0.310 57.672 57.345 0.027 0.000 1.765 172 W CB 0.448 29.928 29.460 0.034 0.000 1.085 172 W HN 0.647 nan 8.180 nan 0.000 0.596 173 T N -1.037 113.549 114.554 0.055 0.000 2.732 173 T HA 0.350 4.700 4.350 -0.000 0.000 0.287 173 T C 0.545 175.189 174.700 -0.093 0.000 0.993 173 T CA -0.469 61.600 62.100 -0.051 0.000 0.966 173 T CB 0.882 69.757 68.868 0.012 0.000 1.047 173 T HN -0.099 nan 8.240 nan 0.000 0.527 174 c N 0.088 118.635 118.600 -0.088 0.000 2.547 174 c HA 0.441 5.011 4.570 -0.000 0.000 0.411 174 c C 1.894 175.960 174.090 -0.040 0.000 1.424 174 c CA -0.529 55.752 56.329 -0.080 0.000 1.848 174 c CB 0.843 43.299 42.510 -0.089 0.000 2.062 174 c HN 0.951 nan 8.230 nan 0.000 0.504 175 D N 0.894 121.275 120.400 -0.033 0.000 2.264 175 D HA -0.082 4.558 4.640 -0.000 0.000 0.208 175 D C 1.158 177.452 176.300 -0.010 0.000 0.966 175 D CA 1.238 55.228 54.000 -0.017 0.000 0.864 175 D CB -0.306 40.484 40.800 -0.016 0.000 0.933 175 D HN 0.724 nan 8.370 nan 0.000 0.499 176 D N -1.336 119.057 120.400 -0.012 0.000 2.325 176 D HA 0.141 4.781 4.640 -0.000 0.000 0.225 176 D C 1.504 177.804 176.300 0.000 0.000 1.096 176 D CA 0.518 54.515 54.000 -0.004 0.000 0.844 176 D CB -0.124 40.675 40.800 -0.002 0.000 0.925 176 D HN 0.135 nan 8.370 nan 0.000 0.513 177 G N 0.033 108.832 108.800 -0.002 0.000 2.184 177 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.264 177 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.264 177 G C 0.603 175.507 174.900 0.006 0.000 0.975 177 G CA 0.966 46.069 45.100 0.006 0.000 0.642 177 G HN 0.831 nan 8.290 nan 0.000 0.536 178 T N -2.105 112.447 114.554 -0.003 0.000 2.893 178 T HA 0.719 5.069 4.350 -0.000 0.000 0.279 178 T C 1.183 175.862 174.700 -0.034 0.000 0.991 178 T CA -0.348 61.753 62.100 0.001 0.000 0.950 178 T CB 1.380 70.257 68.868 0.014 0.000 1.223 178 T HN 0.364 nan 8.240 nan 0.000 0.585 179 L N 1.198 122.406 121.223 -0.026 0.000 2.741 179 L HA 0.283 4.623 4.340 -0.000 0.000 0.237 179 L C 1.518 178.345 176.870 -0.073 0.000 1.178 179 L CA -0.319 54.459 54.840 -0.103 0.000 0.973 179 L CB -0.551 41.471 42.059 -0.063 0.000 1.255 179 L HN 0.544 nan 8.230 nan 0.000 0.498 180 N N 0.776 119.459 118.700 -0.029 0.000 2.272 180 N HA -0.184 4.556 4.740 -0.000 0.000 0.185 180 N C 1.935 177.430 175.510 -0.026 0.000 1.014 180 N CA 1.610 54.659 53.050 -0.002 0.000 0.870 180 N CB -0.309 38.184 38.487 0.010 0.000 0.975 180 N HN 0.570 nan 8.380 nan 0.000 0.433 181 c N 0.178 118.735 118.600 -0.072 0.000 2.539 181 c HA 0.281 4.851 4.570 -0.000 0.000 0.268 181 c C 0.782 174.804 174.090 -0.115 0.000 1.395 181 c CA -0.765 55.515 56.329 -0.080 0.000 1.757 181 c CB -0.558 41.894 42.510 -0.096 0.000 1.851 181 c HN 0.009 nan 8.230 nan 0.000 0.545 182 R N 2.454 122.853 120.500 -0.167 0.000 2.438 182 R HA 0.422 4.762 4.340 -0.000 0.000 0.287 182 R C -0.406 175.866 176.300 -0.047 0.000 1.077 182 R CA 0.374 56.349 56.100 -0.209 0.000 1.034 182 R CB 0.501 30.538 30.300 -0.437 0.000 0.993 182 R HN 0.601 nan 8.270 nan 0.000 0.459 183 K N 1.484 121.881 120.400 -0.005 0.000 2.221 183 K HA 0.457 4.777 4.320 -0.000 0.000 0.258 183 K C -0.685 176.063 176.600 0.245 0.000 0.944 183 K CA -0.768 55.615 56.287 0.159 0.000 0.823 183 K CB 2.250 34.718 32.500 -0.053 0.000 1.113 183 K HN 0.171 nan 8.250 nan 0.000 0.431 184 V N 3.671 123.749 119.914 0.274 0.000 2.495 184 V HA 0.318 4.438 4.120 -0.000 0.000 0.298 184 V C -0.890 175.251 176.094 0.079 0.000 1.031 184 V CA -1.012 61.296 62.300 0.013 0.000 0.871 184 V CB 1.561 33.108 31.823 -0.461 0.000 0.988 184 V HN 0.546 nan 8.190 nan 0.000 0.432 185 L N 6.408 127.440 121.223 -0.318 0.000 2.280 185 L HA 0.623 4.963 4.340 -0.000 0.000 0.287 185 L C -0.447 176.228 176.870 -0.325 0.000 1.023 185 L CA 0.085 54.570 54.840 -0.592 0.000 0.819 185 L CB 1.552 42.795 42.059 -1.359 0.000 1.212 185 L HN 0.453 nan 8.230 nan 0.000 0.420 186 V N 6.410 126.222 119.914 -0.171 0.000 2.333 186 V HA 0.318 4.438 4.120 -0.000 0.000 0.274 186 V C -0.089 175.948 176.094 -0.096 0.000 1.028 186 V CA -0.651 61.575 62.300 -0.123 0.000 0.851 186 V CB 1.355 33.167 31.823 -0.018 0.000 1.000 186 V HN 0.506 nan 8.190 nan 0.000 0.456 187 V N 5.096 124.946 119.914 -0.106 0.000 2.353 187 V HA 0.781 4.901 4.120 -0.000 0.000 0.264 187 V C 0.769 176.858 176.094 -0.007 0.000 1.049 187 V CA 0.457 62.735 62.300 -0.037 0.000 0.896 187 V CB 0.341 32.141 31.823 -0.038 0.000 1.025 187 V HN 1.249 nan 8.190 nan 0.000 0.475 188 G N 3.973 112.779 108.800 0.010 0.000 2.895 188 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.686 188 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.686 188 G C -0.092 174.827 174.900 0.032 0.000 1.108 188 G CA -0.176 44.939 45.100 0.025 0.000 0.761 188 G HN 0.994 nan 8.290 nan 0.000 0.611 189 T N 0.450 115.028 114.554 0.041 0.000 2.281 189 T HA 0.874 5.224 4.350 -0.000 0.000 0.180 189 T C 2.106 176.825 174.700 0.032 0.000 0.683 189 T CA 1.107 63.233 62.100 0.043 0.000 1.735 189 T CB 0.062 68.964 68.868 0.056 0.000 3.036 189 T HN 2.836 nan 8.240 nan 0.000 0.399 190 G N 2.306 111.112 108.800 0.011 0.000 2.692 190 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.248 190 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.248 190 G C -1.546 173.355 174.900 0.001 0.000 1.340 190 G CA 0.046 45.144 45.100 -0.003 0.000 0.896 190 G HN 0.628 nan 8.290 nan 0.000 0.570 191 P HA -0.068 nan 4.420 nan 0.000 0.216 191 P C 2.062 179.354 177.300 -0.013 0.000 1.150 191 P CA 2.056 65.154 63.100 -0.003 0.000 0.837 191 P CB -0.013 31.692 31.700 0.008 0.000 0.786 192 I N 0.194 120.768 120.570 0.006 0.000 2.163 192 I HA -0.096 4.074 4.170 -0.000 0.000 0.240 192 I C 2.736 178.912 176.117 0.098 0.000 1.081 192 I CA 1.957 63.247 61.300 -0.018 0.000 1.353 192 I CB -2.318 35.694 38.000 0.019 0.000 1.054 192 I HN 0.021 nan 8.210 nan 0.000 0.407 193 G N 0.550 109.414 108.800 0.107 0.000 2.408 193 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.217 193 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.217 193 G C 1.865 176.824 174.900 0.098 0.000 1.150 193 G CA 0.708 45.888 45.100 0.133 0.000 0.776 193 G HN 0.253 nan 8.290 nan 0.000 0.542 194 V N 0.902 120.832 119.914 0.027 0.000 2.343 194 V HA -0.115 4.005 4.120 -0.000 0.000 0.247 194 V C 2.898 178.944 176.094 -0.080 0.000 1.051 194 V CA 1.379 63.657 62.300 -0.037 0.000 1.036 194 V CB -0.372 31.414 31.823 -0.060 0.000 0.654 194 V HN 0.339 nan 8.190 nan 0.000 0.451 195 L N -1.652 119.531 121.223 -0.067 0.000 2.056 195 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 195 L C 2.398 179.189 176.870 -0.131 0.000 1.078 195 L CA 1.661 56.439 54.840 -0.103 0.000 0.749 195 L CB -0.584 41.397 42.059 -0.130 0.000 0.901 195 L HN 0.235 nan 8.230 nan 0.000 0.433 196 F N 0.264 120.158 119.950 -0.094 0.000 2.095 196 F HA -0.270 4.257 4.527 -0.000 0.000 0.298 196 F C 2.677 178.516 175.800 0.065 0.000 1.104 196 F CA 1.944 59.923 58.000 -0.034 0.000 1.232 196 F CB -0.564 38.459 39.000 0.040 0.000 0.987 196 F HN 0.007 nan 8.300 nan 0.000 0.475 197 T N 0.781 115.465 114.554 0.216 0.000 2.652 197 T HA -0.211 4.139 4.350 -0.000 0.000 0.267 197 T C 2.109 176.775 174.700 -0.057 0.000 1.039 197 T CA 1.571 63.730 62.100 0.098 0.000 1.153 197 T CB -0.642 68.225 68.868 -0.001 0.000 0.863 197 T HN 0.142 nan 8.240 nan 0.000 0.428 198 L N 0.211 121.282 121.223 -0.253 0.000 2.042 198 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 198 L C 2.469 179.181 176.870 -0.263 0.000 1.076 198 L CA 0.869 55.389 54.840 -0.535 0.000 0.749 198 L CB -0.552 40.810 42.059 -1.162 0.000 0.893 198 L HN 0.204 nan 8.230 nan 0.000 0.432 199 L N -1.136 120.011 121.223 -0.126 0.000 2.072 199 L HA -0.129 4.211 4.340 -0.000 0.000 0.205 199 L C 2.262 178.923 176.870 -0.349 0.000 1.079 199 L CA 1.653 56.358 54.840 -0.224 0.000 0.752 199 L CB -0.533 41.327 42.059 -0.331 0.000 0.906 199 L HN -0.012 nan 8.230 nan 0.000 0.436 200 F N -0.162 119.749 119.950 -0.064 0.000 2.171 200 F HA -0.155 4.372 4.527 -0.000 0.000 0.300 200 F C 2.526 178.356 175.800 0.051 0.000 1.090 200 F CA 1.103 59.140 58.000 0.063 0.000 1.293 200 F CB -0.453 38.634 39.000 0.145 0.000 1.013 200 F HN 0.035 nan 8.300 nan 0.000 0.486 201 R N -0.236 120.362 120.500 0.162 0.000 2.081 201 R HA -0.095 4.245 4.340 -0.000 0.000 0.235 201 R C 2.115 178.512 176.300 0.162 0.000 1.131 201 R CA 1.670 57.833 56.100 0.103 0.000 0.960 201 R CB -1.692 28.578 30.300 -0.050 0.000 0.856 201 R HN 0.228 nan 8.270 nan 0.000 0.436 202 T N 0.960 115.588 114.554 0.123 0.000 2.699 202 T HA -0.165 4.185 4.350 -0.000 0.000 0.268 202 T C 1.427 176.237 174.700 0.184 0.000 1.036 202 T CA 1.384 63.566 62.100 0.137 0.000 1.147 202 T CB -0.314 68.561 68.868 0.013 0.000 0.862 202 T HN 0.174 nan 8.240 nan 0.000 0.446 203 Y N 0.899 121.276 120.300 0.128 0.000 2.616 203 Y HA 0.261 4.811 4.550 -0.000 0.000 0.296 203 Y C 2.166 178.154 175.900 0.147 0.000 1.154 203 Y CA -0.186 57.996 58.100 0.137 0.000 1.325 203 Y CB -0.862 37.693 38.460 0.159 0.000 1.007 203 Y HN 0.424 nan 8.280 nan 0.000 0.542 204 G N -0.677 108.295 108.800 0.288 0.000 2.175 204 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.244 204 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.244 204 G C -0.054 174.942 174.900 0.160 0.000 0.982 204 G CA -0.069 45.145 45.100 0.189 0.000 0.641 204 G HN 0.164 nan 8.290 nan 0.000 0.527 205 L N 1.309 122.664 121.223 0.219 0.000 2.452 205 L HA 0.464 4.804 4.340 -0.000 0.000 0.267 205 L C 0.941 177.878 176.870 0.112 0.000 1.188 205 L CA -0.019 54.914 54.840 0.154 0.000 0.821 205 L CB 0.481 42.659 42.059 0.198 0.000 1.102 205 L HN 0.258 nan 8.230 nan 0.000 0.470 206 E N 0.844 121.100 120.200 0.093 0.000 2.316 206 E HA 0.352 4.702 4.350 -0.000 0.000 0.275 206 E C -1.069 175.618 176.600 0.146 0.000 1.029 206 E CA -0.330 56.118 56.400 0.079 0.000 0.871 206 E CB 1.170 30.972 29.700 0.171 0.000 1.022 206 E HN 0.227 nan 8.360 nan 0.000 0.418 207 V N 3.722 123.630 119.914 -0.010 0.000 2.604 207 V HA 0.314 4.434 4.120 -0.000 0.000 0.305 207 V C -0.694 175.382 176.094 -0.030 0.000 1.043 207 V CA -0.964 61.386 62.300 0.083 0.000 0.888 207 V CB 1.580 33.422 31.823 0.032 0.000 0.995 207 V HN 0.662 nan 8.190 nan 0.000 0.429 208 W N 4.595 125.925 121.300 0.050 0.000 2.471 208 W HA 0.581 5.241 4.660 -0.000 0.000 0.318 208 W C -0.455 176.020 176.519 -0.072 0.000 1.034 208 W CA -0.685 56.677 57.345 0.029 0.000 1.224 208 W CB 1.949 31.459 29.460 0.083 0.000 1.335 208 W HN 0.413 nan 8.180 nan 0.000 0.452 209 M N 3.141 122.787 119.600 0.076 0.000 2.233 209 M HA 0.553 5.033 4.480 -0.000 0.000 0.355 209 M C 0.133 176.303 176.300 -0.217 0.000 1.191 209 M CA -0.159 55.127 55.300 -0.022 0.000 1.101 209 M CB 1.352 33.980 32.600 0.047 0.000 1.592 209 M HN 0.329 nan 8.290 nan 0.000 0.461 210 A N 3.561 126.276 122.820 -0.175 0.000 2.371 210 A HA 0.847 5.167 4.320 -0.000 0.000 0.311 210 A C -1.059 176.426 177.584 -0.165 0.000 1.068 210 A CA -0.796 51.108 52.037 -0.221 0.000 0.744 210 A CB 1.261 20.325 19.000 0.108 0.000 1.239 210 A HN 0.869 nan 8.150 nan 0.000 0.435 211 N N 0.231 118.802 118.700 -0.215 0.000 2.610 211 N HA 0.316 5.056 4.740 -0.000 0.000 0.264 211 N C -0.921 174.548 175.510 -0.068 0.000 1.348 211 N CA -0.674 52.347 53.050 -0.048 0.000 0.819 211 N CB 1.875 40.411 38.487 0.081 0.000 1.521 211 N HN 0.630 nan 8.380 nan 0.000 0.497 212 R N 1.264 121.741 120.500 -0.039 0.000 4.792 212 R HA 0.152 4.492 4.340 -0.000 0.000 0.205 212 R C -0.122 176.169 176.300 -0.016 0.000 1.875 212 R CA 0.158 56.221 56.100 -0.061 0.000 1.588 212 R CB -0.454 29.814 30.300 -0.053 0.000 1.401 212 R HN 0.560 nan 8.270 nan 0.000 0.834 213 R N -2.054 118.459 120.500 0.021 0.000 3.012 213 R HA 0.200 4.540 4.340 -0.000 0.000 0.287 213 R C -1.356 175.028 176.300 0.139 0.000 0.990 213 R CA -1.065 55.069 56.100 0.057 0.000 0.839 213 R CB 0.516 30.858 30.300 0.069 0.000 1.317 213 R HN -0.170 nan 8.270 nan 0.000 0.518 214 E N 0.899 121.134 120.200 0.058 0.000 2.371 214 E HA 0.312 4.662 4.350 -0.000 0.000 0.257 214 E C -2.130 174.376 176.600 -0.157 0.000 1.134 214 E CA -1.867 54.516 56.400 -0.029 0.000 0.919 214 E CB 0.441 30.100 29.700 -0.069 0.000 1.025 214 E HN 0.369 nan 8.360 nan 0.000 0.438 215 P HA -0.019 nan 4.420 nan 0.000 0.266 215 P C -0.082 177.096 177.300 -0.203 0.000 1.195 215 P CA 0.165 62.951 63.100 -0.523 0.000 0.768 215 P CB 0.242 31.516 31.700 -0.710 0.000 0.838 216 T N -1.497 112.989 114.554 -0.113 0.000 2.726 216 T HA 0.074 4.424 4.350 -0.000 0.000 0.294 216 T C 1.216 175.867 174.700 -0.082 0.000 1.013 216 T CA -0.345 61.717 62.100 -0.063 0.000 0.996 216 T CB 0.498 69.338 68.868 -0.048 0.000 1.016 216 T HN 0.472 nan 8.240 nan 0.000 0.529 217 E N -0.403 119.764 120.200 -0.055 0.000 2.058 217 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 217 E C 2.079 178.641 176.600 -0.064 0.000 0.997 217 E CA 1.379 57.745 56.400 -0.056 0.000 0.801 217 E CB -0.261 29.418 29.700 -0.035 0.000 0.746 217 E HN 0.543 nan 8.360 nan 0.000 0.450 218 V N 1.108 120.986 119.914 -0.060 0.000 2.287 218 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 218 V C 2.119 178.165 176.094 -0.080 0.000 1.053 218 V CA 2.276 64.537 62.300 -0.064 0.000 1.027 218 V CB -0.605 31.183 31.823 -0.058 0.000 0.646 218 V HN 0.283 nan 8.190 nan 0.000 0.447 219 E N -0.312 119.841 120.200 -0.079 0.000 2.077 219 E HA -0.295 4.055 4.350 -0.000 0.000 0.193 219 E C 2.277 178.808 176.600 -0.116 0.000 0.989 219 E CA 1.389 57.742 56.400 -0.079 0.000 0.800 219 E CB -0.180 29.488 29.700 -0.054 0.000 0.746 219 E HN 0.514 nan 8.360 nan 0.000 0.452 220 Q N 0.279 119.996 119.800 -0.140 0.000 2.124 220 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 220 Q C 1.981 177.918 176.000 -0.106 0.000 0.977 220 Q CA 1.949 57.670 55.803 -0.138 0.000 0.850 220 Q CB -0.369 28.291 28.738 -0.130 0.000 0.901 220 Q HN 0.159 nan 8.270 nan 0.000 0.429 221 T N -0.430 114.068 114.554 -0.094 0.000 2.708 221 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 221 T C 1.775 176.405 174.700 -0.116 0.000 1.037 221 T CA 1.434 63.482 62.100 -0.087 0.000 1.146 221 T CB -0.420 68.406 68.868 -0.071 0.000 0.865 221 T HN 0.102 nan 8.240 nan 0.000 0.435 222 V N 1.426 121.257 119.914 -0.139 0.000 2.287 222 V HA -0.180 3.940 4.120 -0.000 0.000 0.248 222 V C 2.398 178.379 176.094 -0.189 0.000 1.053 222 V CA 1.562 63.743 62.300 -0.198 0.000 1.027 222 V CB -0.667 31.041 31.823 -0.191 0.000 0.646 222 V HN 0.471 nan 8.190 nan 0.000 0.447 223 I N -0.177 120.313 120.570 -0.133 0.000 2.113 223 I HA -0.352 3.818 4.170 -0.000 0.000 0.242 223 I C 2.567 178.612 176.117 -0.119 0.000 1.064 223 I CA 2.162 63.393 61.300 -0.114 0.000 1.320 223 I CB -0.377 37.571 38.000 -0.087 0.000 1.028 223 I HN 0.416 nan 8.210 nan 0.000 0.406 224 E N -0.024 120.115 120.200 -0.102 0.000 2.046 224 E HA -0.234 4.116 4.350 -0.000 0.000 0.190 224 E C 2.132 178.687 176.600 -0.075 0.000 0.982 224 E CA 1.035 57.388 56.400 -0.078 0.000 0.800 224 E CB -0.089 29.575 29.700 -0.061 0.000 0.756 224 E HN 0.444 nan 8.360 nan 0.000 0.449 225 E N 0.177 120.323 120.200 -0.091 0.000 2.152 225 E HA -0.115 4.235 4.350 -0.000 0.000 0.192 225 E C 1.613 178.159 176.600 -0.090 0.000 0.983 225 E CA 1.530 57.895 56.400 -0.058 0.000 0.818 225 E CB 0.238 29.911 29.700 -0.046 0.000 0.758 225 E HN 0.265 nan 8.360 nan 0.000 0.467 226 T N -2.167 112.236 114.554 -0.251 0.000 3.054 226 T HA 0.176 4.526 4.350 -0.000 0.000 0.255 226 T C 0.135 174.724 174.700 -0.186 0.000 1.035 226 T CA -0.308 61.573 62.100 -0.366 0.000 0.941 226 T CB 0.003 68.426 68.868 -0.741 0.000 1.026 226 T HN 0.066 nan 8.240 nan 0.000 0.533 227 K N 1.501 121.820 120.400 -0.135 0.000 3.419 227 K HA -0.125 4.195 4.320 -0.000 0.000 0.272 227 K C -0.641 175.854 176.600 -0.176 0.000 0.973 227 K CA 0.441 56.656 56.287 -0.121 0.000 0.749 227 K CB -2.400 30.055 32.500 -0.075 0.000 1.403 227 K HN 0.448 nan 8.250 nan 0.000 0.456 228 T N 1.109 115.545 114.554 -0.196 0.000 2.895 228 T HA 0.301 4.651 4.350 -0.000 0.000 0.283 228 T C 0.301 174.844 174.700 -0.261 0.000 1.014 228 T CA -0.884 61.074 62.100 -0.237 0.000 1.037 228 T CB 1.007 69.765 68.868 -0.185 0.000 1.006 228 T HN 0.183 nan 8.240 nan 0.000 0.468 229 N N 1.001 119.425 118.700 -0.459 0.000 2.476 229 N HA 0.372 5.112 4.740 -0.000 0.000 0.275 229 N C -1.291 174.150 175.510 -0.115 0.000 1.190 229 N CA -0.337 52.423 53.050 -0.483 0.000 0.977 229 N CB 1.426 39.081 38.487 -1.386 0.000 1.200 229 N HN 0.596 nan 8.380 nan 0.000 0.515 230 Y N 0.472 120.757 120.300 -0.026 0.000 2.492 230 Y HA 0.358 4.908 4.550 -0.000 0.000 0.346 230 Y C -1.622 174.458 175.900 0.299 0.000 0.997 230 Y CA -0.969 57.202 58.100 0.118 0.000 1.025 230 Y CB 1.331 39.812 38.460 0.035 0.000 1.263 230 Y HN 0.489 nan 8.280 nan 0.000 0.454 231 Y N 6.207 126.326 120.300 -0.303 0.000 2.346 231 Y HA 0.390 4.940 4.550 -0.000 0.000 0.332 231 Y C -0.971 174.758 175.900 -0.284 0.000 0.985 231 Y CA -1.142 56.901 58.100 -0.096 0.000 1.112 231 Y CB 0.943 39.440 38.460 0.061 0.000 1.170 231 Y HN 0.692 nan 8.280 nan 0.000 0.447 232 N N 3.068 121.465 118.700 -0.506 0.000 2.431 232 N HA -0.001 4.739 4.740 -0.000 0.000 0.265 232 N C 0.268 175.223 175.510 -0.924 0.000 1.184 232 N CA 0.687 53.449 53.050 -0.480 0.000 0.943 232 N CB 1.007 39.369 38.487 -0.208 0.000 1.080 232 N HN 0.710 nan 8.380 nan 0.000 0.477 233 S N 1.250 116.603 115.700 -0.578 0.000 2.582 233 S HA 0.072 4.542 4.470 -0.000 0.000 0.234 233 S C 1.298 175.678 174.600 -0.367 0.000 0.961 233 S CA -0.354 57.513 58.200 -0.555 0.000 0.953 233 S CB -0.013 62.820 63.200 -0.612 0.000 0.800 233 S HN 0.377 nan 8.310 nan 0.000 0.471 234 S N 3.088 118.630 115.700 -0.264 0.000 2.402 234 S HA -0.041 4.429 4.470 -0.000 0.000 0.233 234 S C 1.159 175.681 174.600 -0.131 0.000 1.030 234 S CA 1.124 59.230 58.200 -0.156 0.000 1.003 234 S CB -0.319 62.814 63.200 -0.111 0.000 0.813 234 S HN 0.675 nan 8.310 nan 0.000 0.477 235 N N 0.844 119.457 118.700 -0.145 0.000 2.389 235 N HA 0.341 5.081 4.740 -0.000 0.000 0.260 235 N C 0.521 175.992 175.510 -0.066 0.000 1.191 235 N CA 0.504 53.504 53.050 -0.083 0.000 0.885 235 N CB 0.975 39.430 38.487 -0.053 0.000 1.162 235 N HN 0.432 nan 8.380 nan 0.000 0.512 236 G N 0.541 109.260 108.800 -0.136 0.000 2.660 236 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.247 236 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.247 236 G C -0.458 174.394 174.900 -0.080 0.000 1.328 236 G CA -0.573 44.461 45.100 -0.109 0.000 0.884 236 G HN 0.285 nan 8.290 nan 0.000 0.531 237 Y N 0.190 120.570 120.300 0.134 0.000 2.481 237 Y HA 0.228 4.778 4.550 -0.000 0.000 0.247 237 Y C 2.243 178.143 175.900 -0.001 0.000 1.151 237 Y CA 0.526 58.680 58.100 0.091 0.000 1.238 237 Y CB 0.449 38.895 38.460 -0.023 0.000 1.179 237 Y HN 0.486 nan 8.280 nan 0.000 0.524 238 D N 0.880 121.378 120.400 0.162 0.000 2.149 238 D HA -0.203 4.437 4.640 -0.000 0.000 0.194 238 D C 1.800 178.135 176.300 0.059 0.000 1.001 238 D CA 1.552 55.603 54.000 0.085 0.000 0.849 238 D CB 0.100 40.941 40.800 0.069 0.000 0.939 238 D HN 0.271 nan 8.370 nan 0.000 0.449 239 K N -0.289 120.180 120.400 0.116 0.000 2.155 239 K HA -0.078 4.242 4.320 -0.000 0.000 0.203 239 K C 2.015 178.625 176.600 0.016 0.000 1.052 239 K CA 0.139 56.495 56.287 0.116 0.000 0.948 239 K CB -0.149 32.483 32.500 0.220 0.000 0.728 239 K HN 0.076 nan 8.250 nan 0.000 0.448 240 L N 2.133 123.218 121.223 -0.230 0.000 2.017 240 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 240 L C 2.267 178.990 176.870 -0.245 0.000 1.073 240 L CA 1.851 56.379 54.840 -0.520 0.000 0.745 240 L CB -0.411 40.975 42.059 -1.121 0.000 0.894 240 L HN 0.007 nan 8.230 nan 0.000 0.432 241 K N -0.832 119.481 120.400 -0.146 0.000 2.057 241 K HA -0.197 4.123 4.320 -0.000 0.000 0.207 241 K C 1.706 178.239 176.600 -0.112 0.000 1.049 241 K CA 1.739 57.957 56.287 -0.116 0.000 0.931 241 K CB -0.163 32.300 32.500 -0.062 0.000 0.714 241 K HN 0.355 nan 8.250 nan 0.000 0.440 242 D N 0.203 120.563 120.400 -0.067 0.000 2.123 242 D HA -0.145 4.495 4.640 -0.000 0.000 0.196 242 D C 2.046 178.313 176.300 -0.056 0.000 0.992 242 D CA 1.826 55.799 54.000 -0.046 0.000 0.833 242 D CB -0.140 40.653 40.800 -0.010 0.000 0.954 242 D HN 0.372 nan 8.370 nan 0.000 0.455 243 S N -0.281 115.383 115.700 -0.059 0.000 2.404 243 S HA -0.045 4.425 4.470 -0.000 0.000 0.223 243 S C 2.055 176.601 174.600 -0.090 0.000 1.040 243 S CA 0.894 59.071 58.200 -0.039 0.000 0.957 243 S CB -0.241 62.972 63.200 0.021 0.000 0.826 243 S HN 0.234 nan 8.310 nan 0.000 0.491 244 V N -1.388 118.407 119.914 -0.198 0.000 3.523 244 V HA 0.632 4.752 4.120 -0.000 0.000 0.255 244 V C 1.228 177.062 176.094 -0.434 0.000 1.226 244 V CA 0.533 62.623 62.300 -0.349 0.000 1.092 244 V CB -0.732 30.688 31.823 -0.671 0.000 0.817 244 V HN 0.933 nan 8.190 nan 0.000 0.458 245 G N 1.154 109.743 108.800 -0.351 0.000 2.499 245 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.232 245 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.232 245 G C -0.329 174.308 174.900 -0.439 0.000 1.251 245 G CA 0.151 45.060 45.100 -0.318 0.000 0.917 245 G HN 0.692 nan 8.290 nan 0.000 0.580 246 K N -0.714 119.450 120.400 -0.393 0.000 2.139 246 K HA 0.691 5.011 4.320 -0.000 0.000 0.243 246 K C -0.906 175.394 176.600 -0.499 0.000 0.983 246 K CA -0.453 55.649 56.287 -0.308 0.000 0.890 246 K CB 1.105 33.525 32.500 -0.133 0.000 1.090 246 K HN 0.264 nan 8.250 nan 0.000 0.445 247 F N 0.490 120.324 119.950 -0.193 0.000 2.480 247 F HA 0.175 4.702 4.527 -0.000 0.000 0.329 247 F C 1.252 177.009 175.800 -0.070 0.000 1.091 247 F CA -0.460 57.438 58.000 -0.171 0.000 0.972 247 F CB 1.532 40.405 39.000 -0.212 0.000 1.150 247 F HN 0.560 nan 8.300 nan 0.000 0.467 248 D N 1.011 121.497 120.400 0.145 0.000 2.234 248 D HA 0.021 4.661 4.640 -0.000 0.000 0.205 248 D C -0.015 176.450 176.300 0.275 0.000 0.962 248 D CA 1.336 55.474 54.000 0.231 0.000 0.855 248 D CB 0.623 41.560 40.800 0.229 0.000 0.951 248 D HN 0.044 nan 8.370 nan 0.000 0.500 249 V N 1.448 121.465 119.914 0.173 0.000 2.760 249 V HA 0.382 4.502 4.120 -0.000 0.000 0.309 249 V C -0.415 175.651 176.094 -0.047 0.000 1.077 249 V CA -0.712 61.632 62.300 0.073 0.000 0.910 249 V CB 2.828 34.663 31.823 0.021 0.000 1.008 249 V HN -0.102 nan 8.190 nan 0.000 0.424 250 I N 5.015 125.534 120.570 -0.085 0.000 2.509 250 I HA 0.531 4.701 4.170 -0.000 0.000 0.293 250 I C -1.090 174.923 176.117 -0.172 0.000 1.020 250 I CA -0.662 60.525 61.300 -0.188 0.000 1.088 250 I CB 2.150 40.018 38.000 -0.220 0.000 1.267 250 I HN 0.319 nan 8.210 nan 0.000 0.430 251 I N 4.317 124.747 120.570 -0.233 0.000 2.389 251 I HA 0.213 4.383 4.170 -0.000 0.000 0.288 251 I C -0.460 175.524 176.117 -0.221 0.000 0.999 251 I CA -0.377 60.752 61.300 -0.285 0.000 1.129 251 I CB 1.578 39.231 38.000 -0.579 0.000 1.288 251 I HN 0.516 nan 8.210 nan 0.000 0.444 252 D N 5.428 125.753 120.400 -0.125 0.000 2.422 252 D HA 0.402 5.042 4.640 -0.000 0.000 0.227 252 D C 0.814 177.120 176.300 0.010 0.000 1.190 252 D CA -0.114 53.858 54.000 -0.047 0.000 0.905 252 D CB 1.425 42.228 40.800 0.006 0.000 1.034 252 D HN 0.640 nan 8.370 nan 0.000 0.507 253 A N 2.744 125.553 122.820 -0.018 0.000 1.898 253 A HA -0.056 4.264 4.320 -0.000 0.000 0.214 253 A C 1.802 179.484 177.584 0.165 0.000 1.183 253 A CA 1.598 53.673 52.037 0.064 0.000 0.622 253 A CB -0.160 18.858 19.000 0.031 0.000 0.824 253 A HN 0.578 nan 8.150 nan 0.000 0.444 254 T N -5.180 109.429 114.554 0.092 0.000 3.010 254 T HA 0.419 4.769 4.350 -0.000 0.000 0.257 254 T C 1.222 175.938 174.700 0.027 0.000 1.020 254 T CA 1.022 63.164 62.100 0.070 0.000 0.938 254 T CB 0.150 69.045 68.868 0.046 0.000 1.049 254 T HN 1.651 nan 8.240 nan 0.000 0.522 255 G N 1.446 110.269 108.800 0.039 0.000 2.305 255 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.287 255 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.287 255 G C 0.606 175.514 174.900 0.013 0.000 1.036 255 G CA 0.032 45.147 45.100 0.024 0.000 0.887 255 G HN 1.227 nan 8.290 nan 0.000 0.505 256 A N -0.649 122.186 122.820 0.025 0.000 2.500 256 A HA 0.537 4.857 4.320 -0.000 0.000 0.267 256 A C 0.542 178.147 177.584 0.035 0.000 1.290 256 A CA 0.732 52.783 52.037 0.024 0.000 0.928 256 A CB 0.395 19.409 19.000 0.023 0.000 1.066 256 A HN 0.391 nan 8.150 nan 0.000 0.516 257 D N -0.295 120.132 120.400 0.045 0.000 2.505 257 D HA 0.353 4.993 4.640 -0.000 0.000 0.250 257 D C 0.811 177.141 176.300 0.050 0.000 1.164 257 D CA -0.276 53.756 54.000 0.054 0.000 0.870 257 D CB 1.800 42.645 40.800 0.076 0.000 1.160 257 D HN -0.117 nan 8.370 nan 0.000 0.549 258 V N 3.568 123.508 119.914 0.044 0.000 2.759 258 V HA -0.090 4.030 4.120 -0.000 0.000 0.256 258 V C 1.472 177.589 176.094 0.039 0.000 1.080 258 V CA 1.001 63.327 62.300 0.042 0.000 1.101 258 V CB -0.617 31.228 31.823 0.036 0.000 0.698 258 V HN 0.463 nan 8.190 nan 0.000 0.477 259 N N -0.316 118.408 118.700 0.040 0.000 2.451 259 N HA 0.160 4.900 4.740 -0.000 0.000 0.264 259 N C 0.997 176.525 175.510 0.030 0.000 1.167 259 N CA -0.122 52.949 53.050 0.034 0.000 0.898 259 N CB -0.084 38.425 38.487 0.037 0.000 1.176 259 N HN 0.337 nan 8.380 nan 0.000 0.507 260 I N 0.103 120.690 120.570 0.027 0.000 2.151 260 I HA -0.286 3.884 4.170 -0.000 0.000 0.243 260 I C 1.355 177.456 176.117 -0.026 0.000 1.080 260 I CA 1.466 62.770 61.300 0.007 0.000 1.339 260 I CB 0.029 38.035 38.000 0.010 0.000 1.039 260 I HN 0.200 nan 8.210 nan 0.000 0.409 261 L N 0.672 121.884 121.223 -0.019 0.000 1.970 261 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 261 L C 2.650 179.495 176.870 -0.041 0.000 1.071 261 L CA 2.283 57.103 54.840 -0.034 0.000 0.751 261 L CB -1.936 40.108 42.059 -0.024 0.000 0.889 261 L HN 0.350 nan 8.230 nan 0.000 0.432 262 G N -1.095 107.690 108.800 -0.024 0.000 2.442 262 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.219 262 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.219 262 G C 1.486 176.373 174.900 -0.021 0.000 1.141 262 G CA 1.249 46.336 45.100 -0.022 0.000 0.763 262 G HN 0.517 nan 8.290 nan 0.000 0.554 263 N N -0.477 118.217 118.700 -0.010 0.000 2.300 263 N HA -0.001 4.739 4.740 -0.000 0.000 0.179 263 N C 2.158 177.584 175.510 -0.140 0.000 1.016 263 N CA 1.130 54.185 53.050 0.009 0.000 0.876 263 N CB 0.181 38.735 38.487 0.112 0.000 0.979 263 N HN 0.348 nan 8.380 nan 0.000 0.432 264 V N -2.377 117.422 119.914 -0.191 0.000 3.570 264 V HA 0.169 4.289 4.120 -0.000 0.000 0.257 264 V C 1.725 177.709 176.094 -0.183 0.000 1.272 264 V CA 0.157 62.281 62.300 -0.293 0.000 1.079 264 V CB -0.169 31.450 31.823 -0.341 0.000 0.829 264 V HN 0.043 nan 8.190 nan 0.000 0.454 265 I N 1.572 122.071 120.570 -0.119 0.000 2.264 265 I HA -0.046 4.124 4.170 -0.000 0.000 0.248 265 I C -0.024 176.046 176.117 -0.079 0.000 1.111 265 I CA 1.319 62.566 61.300 -0.087 0.000 1.382 265 I CB -2.413 35.545 38.000 -0.070 0.000 1.060 265 I HN 0.356 nan 8.210 nan 0.000 0.418 266 P HA -0.091 nan 4.420 nan 0.000 0.228 266 P C 1.573 178.833 177.300 -0.067 0.000 1.151 266 P CA 0.939 63.999 63.100 -0.066 0.000 0.770 266 P CB 0.051 31.718 31.700 -0.056 0.000 0.786 267 L N -2.492 118.677 121.223 -0.090 0.000 2.607 267 L HA 0.160 4.500 4.340 -0.000 0.000 0.228 267 L C 0.694 177.571 176.870 0.012 0.000 1.123 267 L CA 0.074 54.885 54.840 -0.049 0.000 0.890 267 L CB -0.566 41.426 42.059 -0.111 0.000 1.103 267 L HN -0.021 nan 8.230 nan 0.000 0.468 268 L N 0.085 121.293 121.223 -0.025 0.000 2.331 268 L HA 0.570 4.910 4.340 -0.000 0.000 0.278 268 L C 0.861 177.736 176.870 0.007 0.000 1.106 268 L CA -0.020 54.822 54.840 0.004 0.000 0.824 268 L CB 0.675 42.721 42.059 -0.022 0.000 1.142 268 L HN 0.091 nan 8.230 nan 0.000 0.443 269 G N 4.420 113.237 108.800 0.028 0.000 2.557 269 G HA2 0.359 4.319 3.960 -0.000 0.000 0.292 269 G HA3 0.359 4.319 3.960 -0.000 0.000 0.292 269 G C -0.419 174.502 174.900 0.036 0.000 1.237 269 G CA -0.912 44.195 45.100 0.012 0.000 0.978 269 G HN 0.671 nan 8.290 nan 0.000 0.498 270 R N 0.526 121.046 120.500 0.034 0.000 2.638 270 R HA -0.016 4.324 4.340 -0.000 0.000 0.268 270 R C 0.176 176.528 176.300 0.086 0.000 1.006 270 R CA 0.431 56.560 56.100 0.049 0.000 1.088 270 R CB 0.109 30.433 30.300 0.041 0.000 0.950 270 R HN 0.654 nan 8.270 nan 0.000 0.419 271 N N -1.267 117.471 118.700 0.063 0.000 2.778 271 N HA -0.155 4.585 4.740 -0.000 0.000 0.249 271 N C 0.215 175.744 175.510 0.032 0.000 1.069 271 N CA 1.447 54.525 53.050 0.047 0.000 0.831 271 N CB -1.487 37.054 38.487 0.090 0.000 1.142 271 N HN 0.840 nan 8.380 nan 0.000 0.573 272 G N -0.401 108.433 108.800 0.057 0.000 2.572 272 G HA2 0.529 4.489 3.960 -0.000 0.000 0.261 272 G HA3 0.529 4.489 3.960 -0.000 0.000 0.261 272 G C -0.132 174.771 174.900 0.004 0.000 1.197 272 G CA -0.249 44.894 45.100 0.073 0.000 0.870 272 G HN 0.092 nan 8.290 nan 0.000 0.548 273 V N 1.165 121.087 119.914 0.014 0.000 2.487 273 V HA 0.323 4.443 4.120 -0.000 0.000 0.298 273 V C -0.509 175.586 176.094 0.001 0.000 1.028 273 V CA -0.732 61.560 62.300 -0.013 0.000 0.860 273 V CB 1.437 33.242 31.823 -0.030 0.000 0.991 273 V HN 0.633 nan 8.190 nan 0.000 0.427 274 L N 5.144 126.358 121.223 -0.014 0.000 2.255 274 L HA 0.813 5.153 4.340 -0.000 0.000 0.289 274 L C 0.536 177.402 176.870 -0.006 0.000 1.046 274 L CA 0.254 55.077 54.840 -0.028 0.000 0.816 274 L CB 0.803 42.837 42.059 -0.041 0.000 1.197 274 L HN 0.698 nan 8.230 nan 0.000 0.427 275 G N 6.349 115.147 108.800 -0.003 0.000 2.322 275 G HA2 0.519 4.479 3.960 -0.000 0.000 0.309 275 G HA3 0.519 4.479 3.960 -0.000 0.000 0.309 275 G C -0.900 174.019 174.900 0.032 0.000 1.121 275 G CA -0.602 44.521 45.100 0.038 0.000 0.886 275 G HN 0.596 nan 8.290 nan 0.000 0.447 276 L N 3.088 124.354 121.223 0.071 0.000 2.262 276 L HA 0.369 4.709 4.340 -0.000 0.000 0.288 276 L C 0.402 177.381 176.870 0.181 0.000 1.035 276 L CA -0.637 54.261 54.840 0.097 0.000 0.820 276 L CB 1.284 43.381 42.059 0.064 0.000 1.204 276 L HN 0.670 nan 8.230 nan 0.000 0.424 277 F N 1.583 121.581 119.950 0.080 0.000 2.480 277 F HA 0.386 4.913 4.527 -0.000 0.000 0.280 277 F C 1.540 177.444 175.800 0.175 0.000 1.002 277 F CA 0.153 58.247 58.000 0.157 0.000 1.325 277 F CB 0.493 39.630 39.000 0.230 0.000 1.134 277 F HN 0.406 nan 8.300 nan 0.000 0.646 278 G N -0.231 108.764 108.800 0.325 0.000 2.502 278 G HA2 0.447 4.407 3.960 -0.000 0.000 0.305 278 G HA3 0.447 4.407 3.960 -0.000 0.000 0.305 278 G C -1.659 173.338 174.900 0.163 0.000 1.190 278 G CA -0.195 44.974 45.100 0.115 0.000 0.933 278 G HN 0.267 nan 8.290 nan 0.000 0.503 279 F N -2.089 117.875 119.950 0.023 0.000 2.678 279 F HA 0.646 5.173 4.527 -0.000 0.000 0.308 279 F C -0.177 175.630 175.800 0.012 0.000 1.118 279 F CA -1.446 56.559 58.000 0.009 0.000 0.959 279 F CB 0.786 39.778 39.000 -0.014 0.000 1.305 279 F HN 0.412 nan 8.300 nan 0.000 0.443 280 S N 0.596 116.406 115.700 0.182 0.000 2.563 280 S HA 0.278 4.748 4.470 -0.000 0.000 0.284 280 S C 0.927 175.642 174.600 0.191 0.000 1.331 280 S CA 0.312 58.579 58.200 0.113 0.000 1.047 280 S CB 0.771 64.030 63.200 0.100 0.000 0.859 280 S HN 0.888 nan 8.310 nan 0.000 0.514 281 T N -1.399 113.211 114.554 0.094 0.000 3.085 281 T HA 0.402 4.752 4.350 -0.000 0.000 0.264 281 T C 0.315 175.067 174.700 0.088 0.000 1.019 281 T CA -0.348 61.824 62.100 0.119 0.000 0.910 281 T CB 0.187 69.079 68.868 0.040 0.000 1.059 281 T HN 0.324 nan 8.240 nan 0.000 0.542 282 S N -0.846 114.897 115.700 0.070 0.000 2.565 282 S HA 0.707 5.177 4.470 -0.000 0.000 0.269 282 S C -0.327 174.300 174.600 0.044 0.000 1.153 282 S CA 0.303 58.532 58.200 0.050 0.000 0.835 282 S CB 1.203 64.424 63.200 0.034 0.000 1.122 282 S HN 1.375 nan 8.310 nan 0.000 0.462 283 G N 1.285 110.106 108.800 0.034 0.000 2.603 283 G HA2 0.216 4.176 3.960 -0.000 0.000 0.686 283 G HA3 0.216 4.176 3.960 -0.000 0.000 0.686 283 G C -0.711 174.204 174.900 0.025 0.000 1.286 283 G CA -0.099 45.017 45.100 0.027 0.000 0.871 283 G HN 1.233 nan 8.290 nan 0.000 0.568 284 S N -1.609 114.103 115.700 0.020 0.000 2.541 284 S HA 0.790 5.260 4.470 -0.000 0.000 0.280 284 S C -0.921 173.689 174.600 0.017 0.000 1.112 284 S CA 0.129 58.339 58.200 0.017 0.000 0.925 284 S CB 1.931 65.139 63.200 0.013 0.000 1.067 284 S HN 1.994 nan 8.310 nan 0.000 0.479 285 V N 4.815 124.739 119.914 0.017 0.000 2.925 285 V HA 0.650 4.770 4.120 -0.000 0.000 0.311 285 V C -2.424 173.679 176.094 0.015 0.000 1.104 285 V CA -1.950 60.360 62.300 0.017 0.000 0.954 285 V CB 2.011 33.846 31.823 0.020 0.000 1.022 285 V HN 0.910 nan 8.190 nan 0.000 0.427 286 P HA 0.277 nan 4.420 nan 0.000 0.266 286 P C -0.916 176.393 177.300 0.015 0.000 1.215 286 P CA -0.029 63.081 63.100 0.017 0.000 0.763 286 P CB 0.284 31.995 31.700 0.020 0.000 0.806 287 L N 3.487 124.720 121.223 0.016 0.000 2.259 287 L HA 0.257 4.597 4.340 -0.000 0.000 0.288 287 L C 0.171 177.056 176.870 0.024 0.000 1.051 287 L CA -0.558 54.289 54.840 0.011 0.000 0.824 287 L CB 0.694 42.759 42.059 0.010 0.000 1.206 287 L HN 0.429 nan 8.230 nan 0.000 0.429 288 D N 1.979 122.385 120.400 0.010 0.000 2.362 288 D HA -0.043 4.597 4.640 -0.000 0.000 0.242 288 D C 0.919 177.225 176.300 0.010 0.000 1.132 288 D CA 0.070 54.083 54.000 0.023 0.000 0.907 288 D CB 0.793 41.570 40.800 -0.038 0.000 1.195 288 D HN 0.481 nan 8.370 nan 0.000 0.429 289 Y N 1.342 121.635 120.300 -0.013 0.000 2.421 289 Y HA 0.029 4.579 4.550 -0.000 0.000 0.292 289 Y C 1.748 177.633 175.900 -0.025 0.000 1.136 289 Y CA 0.764 58.852 58.100 -0.019 0.000 1.255 289 Y CB -0.079 38.371 38.460 -0.017 0.000 0.991 289 Y HN 0.266 nan 8.280 nan 0.000 0.552 290 K N 0.291 120.153 120.400 -0.896 0.000 2.288 290 K HA -0.067 4.253 4.320 -0.000 0.000 0.201 290 K C 1.721 178.125 176.600 -0.326 0.000 1.048 290 K CA 1.222 57.033 56.287 -0.793 0.000 0.956 290 K CB -0.053 32.005 32.500 -0.737 0.000 0.746 290 K HN 0.428 nan 8.250 nan 0.000 0.461 291 T N 1.841 116.263 114.554 -0.220 0.000 2.622 291 T HA -0.157 4.193 4.350 -0.000 0.000 0.266 291 T C 1.724 176.362 174.700 -0.103 0.000 1.047 291 T CA 1.212 63.237 62.100 -0.126 0.000 1.159 291 T CB -0.161 68.657 68.868 -0.084 0.000 0.863 291 T HN 0.157 nan 8.240 nan 0.000 0.422 292 L N 0.830 122.003 121.223 -0.084 0.000 2.093 292 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 292 L C 2.935 179.743 176.870 -0.102 0.000 1.085 292 L CA 1.394 56.193 54.840 -0.068 0.000 0.755 292 L CB -0.715 41.324 42.059 -0.034 0.000 0.904 292 L HN 0.382 nan 8.230 nan 0.000 0.435 293 Q N 0.637 120.362 119.800 -0.125 0.000 2.077 293 Q HA -0.305 4.035 4.340 -0.000 0.000 0.206 293 Q C 2.084 177.945 176.000 -0.231 0.000 0.989 293 Q CA 2.210 57.890 55.803 -0.205 0.000 0.853 293 Q CB -0.011 28.645 28.738 -0.137 0.000 0.907 293 Q HN 0.305 nan 8.270 nan 0.000 0.418 294 E N 0.610 120.735 120.200 -0.124 0.000 2.049 294 E HA -0.205 4.145 4.350 -0.000 0.000 0.198 294 E C 1.774 178.348 176.600 -0.044 0.000 1.007 294 E CA 1.884 58.251 56.400 -0.055 0.000 0.809 294 E CB -0.461 29.203 29.700 -0.060 0.000 0.749 294 E HN 0.566 nan 8.360 nan 0.000 0.450 295 I N -0.568 119.964 120.570 -0.063 0.000 2.208 295 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 295 I C 2.269 178.363 176.117 -0.039 0.000 1.097 295 I CA 0.888 62.162 61.300 -0.044 0.000 1.363 295 I CB -0.175 37.797 38.000 -0.047 0.000 1.051 295 I HN 0.051 nan 8.210 nan 0.000 0.413 296 V N 0.043 119.908 119.914 -0.082 0.000 2.307 296 V HA -0.313 3.807 4.120 -0.000 0.000 0.245 296 V C 2.219 178.317 176.094 0.006 0.000 1.045 296 V CA 2.019 64.274 62.300 -0.075 0.000 1.024 296 V CB -0.938 30.794 31.823 -0.151 0.000 0.651 296 V HN 0.453 nan 8.190 nan 0.000 0.449 297 H N 0.225 119.294 119.070 -0.002 0.000 2.489 297 H HA -0.097 4.459 4.556 -0.000 0.000 0.293 297 H C 1.846 177.174 175.328 -0.001 0.000 1.066 297 H CA 1.475 57.523 56.048 -0.000 0.000 1.305 297 H CB 0.180 29.942 29.762 -0.001 0.000 1.386 297 H HN 0.615 nan 8.280 nan 0.000 0.551 298 T N -2.808 111.815 114.554 0.115 0.000 3.200 298 T HA 0.072 4.422 4.350 -0.000 0.000 0.284 298 T C 0.141 174.864 174.700 0.038 0.000 1.009 298 T CA -0.489 61.650 62.100 0.065 0.000 0.907 298 T CB 0.013 68.912 68.868 0.053 0.000 1.120 298 T HN 0.352 nan 8.240 nan 0.000 0.534 299 N N 1.347 120.065 118.700 0.029 0.000 2.725 299 N HA -0.150 4.590 4.740 -0.000 0.000 0.249 299 N C -0.543 174.962 175.510 -0.009 0.000 1.103 299 N CA 0.652 53.706 53.050 0.007 0.000 0.707 299 N CB -1.125 37.365 38.487 0.004 0.000 1.043 299 N HN 0.633 nan 8.380 nan 0.000 0.553 300 K N 0.833 121.229 120.400 -0.007 0.000 2.258 300 K HA 0.320 4.640 4.320 -0.000 0.000 0.264 300 K C 0.435 177.019 176.600 -0.026 0.000 1.007 300 K CA 0.392 56.669 56.287 -0.016 0.000 0.941 300 K CB 0.684 33.176 32.500 -0.014 0.000 0.966 300 K HN -0.008 nan 8.250 nan 0.000 0.480 301 T N 1.986 116.521 114.554 -0.032 0.000 2.886 301 T HA 0.481 4.831 4.350 -0.000 0.000 0.292 301 T C -0.403 174.283 174.700 -0.022 0.000 1.012 301 T CA -0.681 61.400 62.100 -0.031 0.000 0.982 301 T CB 0.890 69.732 68.868 -0.043 0.000 1.018 301 T HN 0.328 nan 8.240 nan 0.000 0.451 302 I N 3.098 123.658 120.570 -0.016 0.000 2.433 302 I HA 0.624 4.794 4.170 -0.000 0.000 0.292 302 I C -0.717 175.400 176.117 0.001 0.000 1.001 302 I CA -0.923 60.371 61.300 -0.010 0.000 1.119 302 I CB 1.794 39.785 38.000 -0.016 0.000 1.289 302 I HN 0.520 nan 8.210 nan 0.000 0.438 303 I N 4.347 124.926 120.570 0.015 0.000 2.569 303 I HA 0.607 4.776 4.170 -0.000 0.000 0.290 303 I C 0.072 176.211 176.117 0.036 0.000 1.088 303 I CA -0.240 61.078 61.300 0.030 0.000 1.047 303 I CB 1.739 39.770 38.000 0.051 0.000 1.237 303 I HN 0.620 nan 8.210 nan 0.000 0.421 304 G N 7.811 116.620 108.800 0.015 0.000 2.355 304 G HA2 0.514 4.474 3.960 -0.000 0.000 0.276 304 G HA3 0.514 4.474 3.960 -0.000 0.000 0.276 304 G C -0.887 174.019 174.900 0.010 0.000 1.198 304 G CA -0.454 44.644 45.100 -0.004 0.000 0.876 304 G HN 0.563 nan 8.290 nan 0.000 0.478 305 L N 2.498 123.747 121.223 0.044 0.000 2.313 305 L HA 0.724 5.063 4.340 -0.000 0.000 0.283 305 L C -0.309 176.522 176.870 -0.064 0.000 1.013 305 L CA -0.952 53.953 54.840 0.109 0.000 0.816 305 L CB 1.900 44.190 42.059 0.384 0.000 1.236 305 L HN 0.343 nan 8.230 nan 0.000 0.419 306 V N 3.873 123.731 119.914 -0.093 0.000 3.023 306 V HA 0.391 4.511 4.120 -0.000 0.000 0.294 306 V C -0.936 175.076 176.094 -0.137 0.000 1.324 306 V CA -0.483 61.693 62.300 -0.205 0.000 0.979 306 V CB 2.108 33.782 31.823 -0.247 0.000 1.093 306 V HN 0.980 nan 8.190 nan 0.000 0.434 307 N N 2.803 121.458 118.700 -0.076 0.000 3.107 307 N HA -0.123 4.616 4.740 -0.000 0.000 0.284 307 N C -0.275 175.236 175.510 0.001 0.000 1.807 307 N CA 0.877 53.897 53.050 -0.050 0.000 1.776 307 N CB -0.155 38.239 38.487 -0.155 0.000 0.810 307 N HN 1.293 nan 8.380 nan 0.000 0.519 308 G N 2.187 111.040 108.800 0.088 0.000 2.412 308 G HA2 0.556 4.516 3.960 -0.000 0.000 0.318 308 G HA3 0.556 4.516 3.960 -0.000 0.000 0.318 308 G C -0.528 174.649 174.900 0.461 0.000 1.146 308 G CA -0.245 44.964 45.100 0.181 0.000 0.882 308 G HN 0.564 nan 8.290 nan 0.000 0.501 309 Q N -0.303 119.913 119.800 0.694 0.000 2.712 309 Q HA 0.307 4.647 4.340 -0.000 0.000 0.267 309 Q C 1.298 177.519 176.000 0.368 0.000 1.062 309 Q CA -0.983 55.091 55.803 0.450 0.000 0.888 309 Q CB 1.722 30.638 28.738 0.296 0.000 1.374 309 Q HN 0.672 nan 8.270 nan 0.000 0.498 310 K N 0.874 121.332 120.400 0.096 0.000 2.074 310 K HA -0.146 4.174 4.320 -0.000 0.000 0.209 310 K C -0.901 175.734 176.600 0.059 0.000 1.048 310 K CA 1.792 58.082 56.287 0.005 0.000 0.926 310 K CB -0.753 31.709 32.500 -0.062 0.000 0.713 310 K HN 0.302 nan 8.250 nan 0.000 0.444 311 P HA -0.161 nan 4.420 nan 0.000 0.216 311 P C 0.526 177.764 177.300 -0.103 0.000 1.150 311 P CA 1.621 64.632 63.100 -0.147 0.000 0.837 311 P CB -0.170 31.355 31.700 -0.292 0.000 0.786 312 H N -1.744 117.439 119.070 0.188 0.000 2.389 312 H HA -0.035 4.521 4.556 -0.000 0.000 0.299 312 H C 1.874 177.295 175.328 0.155 0.000 1.081 312 H CA 0.862 57.006 56.048 0.160 0.000 1.345 312 H CB -0.848 29.006 29.762 0.152 0.000 1.393 312 H HN 0.052 nan 8.280 nan 0.000 0.520 313 F N 1.437 121.453 119.950 0.111 0.000 2.134 313 F HA -0.188 4.339 4.527 -0.000 0.000 0.299 313 F C 2.399 178.207 175.800 0.014 0.000 1.097 313 F CA 1.364 59.402 58.000 0.064 0.000 1.264 313 F CB -0.335 38.706 39.000 0.068 0.000 1.001 313 F HN 0.193 nan 8.300 nan 0.000 0.479 314 Q N -0.445 119.469 119.800 0.191 0.000 2.172 314 Q HA -0.204 4.136 4.340 -0.000 0.000 0.200 314 Q C 2.118 178.107 176.000 -0.017 0.000 0.964 314 Q CA 1.294 57.137 55.803 0.066 0.000 0.855 314 Q CB -0.316 28.441 28.738 0.031 0.000 0.918 314 Q HN 0.540 nan 8.270 nan 0.000 0.444 315 Q N 0.419 120.212 119.800 -0.012 0.000 2.079 315 Q HA -0.113 4.227 4.340 -0.000 0.000 0.200 315 Q C 2.188 178.078 176.000 -0.182 0.000 0.974 315 Q CA 1.260 57.001 55.803 -0.104 0.000 0.840 315 Q CB -0.228 28.527 28.738 0.029 0.000 0.898 315 Q HN 0.372 nan 8.270 nan 0.000 0.430 316 A N 0.513 123.292 122.820 -0.068 0.000 1.892 316 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 316 A C 2.361 179.827 177.584 -0.197 0.000 1.188 316 A CA 1.667 53.626 52.037 -0.129 0.000 0.631 316 A CB -0.974 17.948 19.000 -0.131 0.000 0.822 316 A HN 0.229 nan 8.150 nan 0.000 0.447 317 V N -0.388 119.451 119.914 -0.126 0.000 2.287 317 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 317 V C 2.593 178.570 176.094 -0.195 0.000 1.053 317 V CA 2.144 64.371 62.300 -0.121 0.000 1.027 317 V CB -0.862 30.934 31.823 -0.045 0.000 0.646 317 V HN 0.399 nan 8.190 nan 0.000 0.447 318 V N -0.342 119.424 119.914 -0.246 0.000 2.295 318 V HA -0.324 3.796 4.120 -0.000 0.000 0.246 318 V C 2.228 178.099 176.094 -0.371 0.000 1.049 318 V CA 2.521 64.644 62.300 -0.296 0.000 1.024 318 V CB -0.946 30.671 31.823 -0.344 0.000 0.648 318 V HN 0.664 nan 8.190 nan 0.000 0.447 319 H N -0.645 118.197 119.070 -0.381 0.000 2.353 319 H HA -0.095 4.461 4.556 -0.000 0.000 0.300 319 H C 2.281 176.907 175.328 -1.170 0.000 1.090 319 H CA 1.472 57.085 56.048 -0.724 0.000 1.327 319 H CB -0.123 29.187 29.762 -0.752 0.000 1.383 319 H HN 0.273 nan 8.280 nan 0.000 0.508 320 L N 0.203 120.964 121.223 -0.770 0.000 2.042 320 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 320 L C 2.839 179.555 176.870 -0.256 0.000 1.076 320 L CA 0.913 55.431 54.840 -0.537 0.000 0.749 320 L CB -0.468 41.433 42.059 -0.264 0.000 0.893 320 L HN 0.359 nan 8.230 nan 0.000 0.432 321 A N -0.006 122.689 122.820 -0.209 0.000 1.908 321 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 321 A C 2.552 180.088 177.584 -0.080 0.000 1.181 321 A CA 2.199 54.172 52.037 -0.107 0.000 0.627 321 A CB -0.850 18.091 19.000 -0.097 0.000 0.818 321 A HN 0.535 nan 8.150 nan 0.000 0.445 322 S N -1.327 114.293 115.700 -0.133 0.000 2.368 322 S HA -0.202 4.268 4.470 -0.000 0.000 0.225 322 S C 1.769 176.401 174.600 0.053 0.000 1.030 322 S CA 1.453 59.620 58.200 -0.055 0.000 0.999 322 S CB -0.693 62.488 63.200 -0.032 0.000 0.844 322 S HN 0.663 nan 8.310 nan 0.000 0.459 323 W N 2.071 123.352 121.300 -0.032 0.000 2.425 323 W HA 0.256 4.916 4.660 -0.000 0.000 0.277 323 W C 2.276 178.790 176.519 -0.008 0.000 1.231 323 W CA 0.045 57.377 57.345 -0.022 0.000 1.248 323 W CB -0.862 28.663 29.460 0.107 0.000 1.117 323 W HN 0.416 nan 8.180 nan 0.000 0.568 324 K N -0.520 119.993 120.400 0.189 0.000 2.211 324 K HA -0.129 4.191 4.320 -0.000 0.000 0.204 324 K C 1.845 178.484 176.600 0.065 0.000 1.047 324 K CA 1.884 58.236 56.287 0.108 0.000 0.935 324 K CB -0.210 32.327 32.500 0.061 0.000 0.728 324 K HN 0.018 nan 8.250 nan 0.000 0.452 325 T N 0.717 115.292 114.554 0.036 0.000 2.983 325 T HA 0.101 4.451 4.350 -0.000 0.000 0.250 325 T C 1.763 176.442 174.700 -0.035 0.000 1.037 325 T CA 0.466 62.567 62.100 0.001 0.000 1.142 325 T CB 0.133 68.994 68.868 -0.012 0.000 0.876 325 T HN 0.043 nan 8.240 nan 0.000 0.455 326 L N -0.591 120.566 121.223 -0.110 0.000 2.127 326 L HA 0.118 4.458 4.340 -0.000 0.000 0.203 326 L C 0.235 176.941 176.870 -0.273 0.000 1.080 326 L CA 0.952 55.594 54.840 -0.331 0.000 0.768 326 L CB 0.059 41.685 42.059 -0.721 0.000 0.924 326 L HN 0.277 nan 8.230 nan 0.000 0.444 327 Y N -1.154 119.187 120.300 0.067 0.000 2.470 327 Y HA 0.274 4.824 4.550 -0.000 0.000 0.352 327 Y C -1.782 174.129 175.900 0.019 0.000 0.967 327 Y CA -3.132 54.965 58.100 -0.005 0.000 1.121 327 Y CB -0.500 37.888 38.460 -0.121 0.000 1.149 327 Y HN -0.044 nan 8.280 nan 0.000 0.641 328 P HA -0.167 nan 4.420 nan 0.000 0.217 328 P C 0.939 178.283 177.300 0.074 0.000 1.150 328 P CA 1.647 64.804 63.100 0.096 0.000 0.832 328 P CB 0.619 32.356 31.700 0.062 0.000 0.787 329 K N 0.105 120.540 120.400 0.059 0.000 2.025 329 K HA -0.033 4.287 4.320 -0.000 0.000 0.207 329 K C 2.431 179.037 176.600 0.011 0.000 1.049 329 K CA 1.458 57.761 56.287 0.027 0.000 0.933 329 K CB -0.710 31.797 32.500 0.012 0.000 0.714 329 K HN 0.009 nan 8.250 nan 0.000 0.438 330 A N 1.731 124.551 122.820 0.000 0.000 1.902 330 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 330 A C 2.419 180.000 177.584 -0.004 0.000 1.181 330 A CA 1.895 53.905 52.037 -0.045 0.000 0.623 330 A CB -0.777 18.138 19.000 -0.141 0.000 0.818 330 A HN 0.337 nan 8.150 nan 0.000 0.443 331 A N -0.316 122.542 122.820 0.063 0.000 1.933 331 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 331 A C 2.014 179.641 177.584 0.071 0.000 1.175 331 A CA 1.775 53.881 52.037 0.116 0.000 0.628 331 A CB -0.382 18.735 19.000 0.195 0.000 0.814 331 A HN 0.532 nan 8.150 nan 0.000 0.444 332 K N -1.118 119.310 120.400 0.047 0.000 2.486 332 K HA 0.170 4.490 4.320 -0.000 0.000 0.194 332 K C 1.213 177.820 176.600 0.012 0.000 1.033 332 K CA 0.682 56.985 56.287 0.028 0.000 1.004 332 K CB -0.052 32.462 32.500 0.023 0.000 0.798 332 K HN 0.512 nan 8.250 nan 0.000 0.495 333 M N -0.106 119.497 119.600 0.005 0.000 2.333 333 M HA 0.113 4.593 4.480 -0.000 0.000 0.257 333 M C 1.084 177.377 176.300 -0.011 0.000 1.078 333 M CA 0.220 55.515 55.300 -0.009 0.000 1.005 333 M CB 0.495 33.082 32.600 -0.022 0.000 1.444 333 M HN 0.052 nan 8.290 nan 0.000 0.496 334 L N 0.255 121.479 121.223 0.001 0.000 2.179 334 L HA 0.025 4.365 4.340 -0.000 0.000 0.208 334 L C 0.759 177.628 176.870 -0.001 0.000 1.096 334 L CA 0.347 55.189 54.840 0.002 0.000 0.779 334 L CB -0.108 41.969 42.059 0.030 0.000 0.922 334 L HN 0.198 nan 8.230 nan 0.000 0.443 335 I N 0.598 121.166 120.570 -0.004 0.000 2.347 335 I HA 0.012 4.182 4.170 -0.000 0.000 0.294 335 I C 1.359 177.470 176.117 -0.009 0.000 1.090 335 I CA 0.399 61.692 61.300 -0.013 0.000 1.314 335 I CB 0.569 38.551 38.000 -0.031 0.000 1.423 335 I HN 0.055 nan 8.210 nan 0.000 0.503 336 T N 6.298 120.848 114.554 -0.007 0.000 2.770 336 T HA -0.013 4.337 4.350 -0.000 0.000 0.263 336 T C 0.764 175.463 174.700 -0.001 0.000 1.039 336 T CA 1.077 63.173 62.100 -0.007 0.000 1.142 336 T CB 0.185 69.047 68.868 -0.009 0.000 0.868 336 T HN 0.663 nan 8.240 nan 0.000 0.435 337 K N -0.223 120.179 120.400 0.003 0.000 2.607 337 K HA 0.512 4.832 4.320 -0.000 0.000 0.287 337 K C -1.858 174.752 176.600 0.017 0.000 0.996 337 K CA -0.914 55.378 56.287 0.009 0.000 0.876 337 K CB 1.439 33.945 32.500 0.010 0.000 1.496 337 K HN -0.218 nan 8.250 nan 0.000 0.415 338 T N 1.115 115.684 114.554 0.026 0.000 2.807 338 T HA 0.447 4.797 4.350 -0.000 0.000 0.279 338 T C -0.922 173.800 174.700 0.036 0.000 0.993 338 T CA -0.675 61.453 62.100 0.048 0.000 0.970 338 T CB 1.525 70.436 68.868 0.073 0.000 0.950 338 T HN 0.345 nan 8.240 nan 0.000 0.441 339 V N 2.561 122.493 119.914 0.030 0.000 2.495 339 V HA 0.508 4.628 4.120 -0.000 0.000 0.298 339 V C 0.466 176.541 176.094 -0.032 0.000 1.031 339 V CA -0.835 61.463 62.300 -0.004 0.000 0.871 339 V CB 1.995 33.809 31.823 -0.015 0.000 0.988 339 V HN 0.955 nan 8.190 nan 0.000 0.432 340 S N 3.099 118.768 115.700 -0.052 0.000 2.549 340 S HA 0.128 4.598 4.470 -0.000 0.000 0.283 340 S C 1.134 175.614 174.600 -0.200 0.000 1.320 340 S CA -0.378 57.762 58.200 -0.101 0.000 1.058 340 S CB 0.339 63.495 63.200 -0.073 0.000 0.882 340 S HN 0.640 nan 8.310 nan 0.000 0.498 341 I N 4.782 125.136 120.570 -0.361 0.000 2.502 341 I HA -0.142 4.028 4.170 -0.000 0.000 0.258 341 I C 1.517 177.428 176.117 -0.344 0.000 1.172 341 I CA 1.578 62.541 61.300 -0.561 0.000 1.430 341 I CB -0.309 36.990 38.000 -1.167 0.000 1.086 341 I HN 0.656 nan 8.210 nan 0.000 0.440 342 N N 0.296 118.865 118.700 -0.219 0.000 2.422 342 N HA -0.027 4.713 4.740 -0.000 0.000 0.181 342 N C -0.063 175.386 175.510 -0.100 0.000 1.080 342 N CA 0.434 53.403 53.050 -0.136 0.000 0.893 342 N CB -0.182 38.251 38.487 -0.090 0.000 0.973 342 N HN 0.342 nan 8.380 nan 0.000 0.456 343 D N 1.265 121.605 120.400 -0.100 0.000 2.558 343 D HA 0.026 4.666 4.640 -0.000 0.000 0.221 343 D C 1.094 177.350 176.300 -0.073 0.000 1.143 343 D CA 0.013 53.971 54.000 -0.070 0.000 1.010 343 D CB 0.590 41.357 40.800 -0.055 0.000 1.068 343 D HN 0.262 nan 8.370 nan 0.000 0.511 344 E N 1.923 122.080 120.200 -0.071 0.000 2.058 344 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 344 E C 1.742 178.312 176.600 -0.050 0.000 0.997 344 E CA 1.004 57.364 56.400 -0.068 0.000 0.801 344 E CB 0.324 29.987 29.700 -0.061 0.000 0.746 344 E HN 0.234 nan 8.360 nan 0.000 0.450 345 K N 0.541 120.918 120.400 -0.039 0.000 2.020 345 K HA -0.271 4.049 4.320 -0.000 0.000 0.212 345 K C 2.140 178.725 176.600 -0.027 0.000 1.050 345 K CA 1.999 58.268 56.287 -0.029 0.000 0.929 345 K CB -0.119 32.367 32.500 -0.023 0.000 0.714 345 K HN -0.042 nan 8.250 nan 0.000 0.443 346 E N 0.512 120.695 120.200 -0.029 0.000 2.152 346 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 346 E C 1.872 178.456 176.600 -0.027 0.000 0.983 346 E CA 0.651 57.037 56.400 -0.023 0.000 0.818 346 E CB -0.176 29.512 29.700 -0.021 0.000 0.758 346 E HN 0.336 nan 8.360 nan 0.000 0.467 347 L N 0.158 121.356 121.223 -0.042 0.000 1.994 347 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 347 L C 2.104 178.954 176.870 -0.032 0.000 1.071 347 L CA 1.660 56.471 54.840 -0.049 0.000 0.745 347 L CB -0.496 41.511 42.059 -0.086 0.000 0.892 347 L HN 0.253 nan 8.230 nan 0.000 0.431 348 L N -0.286 120.918 121.223 -0.032 0.000 2.042 348 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 348 L C 2.694 179.557 176.870 -0.011 0.000 1.076 348 L CA 1.858 56.686 54.840 -0.021 0.000 0.749 348 L CB -0.761 41.285 42.059 -0.022 0.000 0.893 348 L HN 0.388 nan 8.230 nan 0.000 0.432 349 K N 0.546 120.939 120.400 -0.011 0.000 2.026 349 K HA -0.182 4.138 4.320 -0.000 0.000 0.208 349 K C 2.001 178.602 176.600 0.002 0.000 1.048 349 K CA 2.113 58.398 56.287 -0.004 0.000 0.929 349 K CB -0.086 32.411 32.500 -0.004 0.000 0.713 349 K HN 0.314 nan 8.250 nan 0.000 0.439 350 V N -0.740 119.175 119.914 0.000 0.000 2.809 350 V HA -0.103 4.016 4.120 -0.000 0.000 0.256 350 V C 2.086 178.187 176.094 0.012 0.000 1.080 350 V CA 1.090 63.395 62.300 0.007 0.000 1.102 350 V CB -0.527 31.299 31.823 0.006 0.000 0.705 350 V HN 0.196 nan 8.190 nan 0.000 0.475 351 L N -0.202 121.026 121.223 0.009 0.000 2.109 351 L HA 0.003 4.343 4.340 -0.000 0.000 0.207 351 L C 3.000 179.881 176.870 0.019 0.000 1.086 351 L CA 1.692 56.541 54.840 0.016 0.000 0.760 351 L CB -0.405 41.661 42.059 0.013 0.000 0.910 351 L HN 0.207 nan 8.230 nan 0.000 0.437 352 R N -0.780 119.728 120.500 0.013 0.000 2.200 352 R HA 0.083 4.423 4.340 -0.000 0.000 0.208 352 R C 0.339 176.649 176.300 0.016 0.000 1.033 352 R CA 0.424 56.532 56.100 0.014 0.000 1.000 352 R CB 0.290 30.595 30.300 0.008 0.000 0.906 352 R HN 0.229 nan 8.270 nan 0.000 0.462 353 E N 0.646 120.856 120.200 0.016 0.000 2.354 353 E HA 0.108 4.458 4.350 -0.000 0.000 0.283 353 E C -1.463 175.149 176.600 0.020 0.000 0.938 353 E CA -0.731 55.679 56.400 0.018 0.000 0.777 353 E CB 1.366 31.076 29.700 0.017 0.000 1.222 353 E HN 0.005 nan 8.360 nan 0.000 0.423 354 K N 2.372 122.785 120.400 0.022 0.000 2.295 354 K HA 0.250 4.570 4.320 -0.000 0.000 0.270 354 K C -0.413 176.203 176.600 0.026 0.000 1.011 354 K CA -0.298 56.001 56.287 0.020 0.000 0.953 354 K CB 0.936 33.446 32.500 0.017 0.000 0.956 354 K HN 0.310 nan 8.250 nan 0.000 0.477 355 E N 1.067 121.280 120.200 0.022 0.000 2.283 355 E HA 0.039 4.389 4.350 -0.000 0.000 0.271 355 E C -0.762 175.863 176.600 0.042 0.000 1.031 355 E CA -0.874 55.548 56.400 0.038 0.000 0.868 355 E CB 0.745 30.462 29.700 0.028 0.000 1.094 355 E HN 0.573 nan 8.360 nan 0.000 0.401 356 H N 0.206 119.277 119.070 0.003 0.000 3.001 356 H HA 0.138 4.694 4.556 -0.000 0.000 0.334 356 H C 1.150 176.478 175.328 0.001 0.000 1.034 356 H CA 1.869 57.918 56.048 0.002 0.000 1.420 356 H CB 0.351 30.113 29.762 -0.001 0.000 1.405 356 H HN 0.706 nan 8.280 nan 0.000 0.593 357 G N 3.235 111.651 108.800 -0.640 0.000 2.176 357 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.253 357 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.253 357 G C 0.406 175.204 174.900 -0.171 0.000 0.979 357 G CA 0.226 45.099 45.100 -0.377 0.000 0.641 357 G HN 0.805 nan 8.290 nan 0.000 0.530 358 E N 0.403 120.528 120.200 -0.125 0.000 2.452 358 E HA 0.290 4.640 4.350 -0.000 0.000 0.261 358 E C 1.085 177.655 176.600 -0.049 0.000 0.987 358 E CA -0.126 56.239 56.400 -0.058 0.000 0.926 358 E CB 0.123 29.804 29.700 -0.032 0.000 0.934 358 E HN 0.181 nan 8.360 nan 0.000 0.452 359 I N 2.607 123.159 120.570 -0.031 0.000 3.393 359 I HA 0.123 4.293 4.170 -0.000 0.000 0.250 359 I C 0.275 176.388 176.117 -0.005 0.000 1.122 359 I CA 0.494 61.782 61.300 -0.021 0.000 1.484 359 I CB -0.440 37.546 38.000 -0.023 0.000 1.468 359 I HN 0.364 nan 8.210 nan 0.000 0.461 360 K N 1.276 121.674 120.400 -0.003 0.000 2.565 360 K HA 0.530 4.850 4.320 -0.000 0.000 0.249 360 K C -1.379 175.225 176.600 0.006 0.000 0.958 360 K CA -0.145 56.145 56.287 0.005 0.000 0.806 360 K CB 1.317 33.820 32.500 0.006 0.000 1.194 360 K HN 0.053 nan 8.250 nan 0.000 0.434 361 I N 3.873 124.451 120.570 0.014 0.000 2.353 361 I HA 0.432 4.602 4.170 -0.000 0.000 0.293 361 I C 0.356 176.494 176.117 0.035 0.000 0.992 361 I CA -0.812 60.500 61.300 0.020 0.000 1.268 361 I CB 1.524 39.536 38.000 0.019 0.000 1.387 361 I HN 0.426 nan 8.210 nan 0.000 0.478 362 R N 5.918 126.445 120.500 0.044 0.000 2.532 362 R HA 0.664 5.004 4.340 -0.000 0.000 0.295 362 R C -0.995 175.376 176.300 0.117 0.000 0.968 362 R CA -0.675 55.477 56.100 0.087 0.000 0.916 362 R CB 1.399 31.735 30.300 0.060 0.000 1.124 362 R HN 0.548 nan 8.270 nan 0.000 0.463 363 I N 4.748 125.422 120.570 0.174 0.000 2.336 363 I HA 0.234 4.404 4.170 -0.000 0.000 0.292 363 I C -0.678 175.583 176.117 0.240 0.000 0.991 363 I CA -0.945 60.434 61.300 0.132 0.000 1.227 363 I CB 1.610 39.671 38.000 0.102 0.000 1.366 363 I HN 0.363 nan 8.210 nan 0.000 0.466 364 L N 6.980 128.279 121.223 0.127 0.000 2.295 364 L HA 0.490 4.830 4.340 -0.000 0.000 0.285 364 L C -1.480 175.384 176.870 -0.011 0.000 1.035 364 L CA -0.026 54.908 54.840 0.158 0.000 0.806 364 L CB 0.742 42.895 42.059 0.157 0.000 1.214 364 L HN 0.400 nan 8.230 nan 0.000 0.426 365 W N 5.465 126.742 121.300 -0.039 0.000 2.361 365 W HA 0.607 5.267 4.660 -0.000 0.000 0.309 365 W C 0.001 176.501 176.519 -0.033 0.000 1.122 365 W CA -0.177 57.155 57.345 -0.022 0.000 1.208 365 W CB 0.861 30.316 29.460 -0.008 0.000 1.246 365 W HN 0.668 nan 8.180 nan 0.000 0.490 366 E N 0.000 120.282 120.200 0.137 0.000 2.725 366 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 366 E CA 0.000 56.451 56.400 0.085 0.000 0.976 366 E CB 0.000 29.724 29.700 0.041 0.000 0.812 366 E HN 0.000 nan 8.360 nan 0.000 0.440