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 2xly_1_A DATA FIRST_RESID 7 DATA SEQUENCE DQEFDCERFR ADIRATAAAI GAPIAHRLTD TVLEAFRDNF AQGATLWKTT DATA SEQUENCE SQPGDQLSYR FFSRLKMDTV SRAIDAGLLD AAHPTLAVVD AWSSLYGGAP DATA SEQUENCE VQSGDFDAGR GMAKTWLYFG GLRPAEDILT VPALPASVQA RLKDFLALGL DATA SEQUENCE AHVRFAAVDW RHHSANVYFR GKGPLDTVQF ARIHALSGST PPAAHVVEEV DATA SEQUENCE LAYMPEDYCV AITLDLHSGD IERVCFYALK VPKNALPRIP TRIARFLEVA DATA SEQUENCE PSHDVEECNV IGWSFGRSGD YVKAERSYTG NMAEILAGWN CFFHGEEGRD DATA SEQUENCE HDLRALH 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 7 D HA 0.000 nan 4.640 nan 0.000 0.175 7 D C 0.000 176.148 176.300 -0.253 0.000 2.045 7 D CA 0.000 53.866 54.000 -0.223 0.000 0.868 7 D CB 0.000 40.728 40.800 -0.120 0.000 0.688 8 Q N -1.156 118.560 119.800 -0.140 0.000 2.482 8 Q HA 0.438 4.778 4.340 -0.000 0.000 0.209 8 Q C 0.910 176.886 176.000 -0.040 0.000 0.961 8 Q CA 1.674 57.437 55.803 -0.068 0.000 0.945 8 Q CB -1.139 27.572 28.738 -0.044 0.000 1.012 8 Q HN 0.843 nan 8.270 nan 0.000 0.515 9 E N -0.624 119.553 120.200 -0.039 0.000 2.371 9 E HA 0.582 4.932 4.350 -0.000 0.000 0.257 9 E C -0.589 176.027 176.600 0.027 0.000 1.134 9 E CA -0.703 55.699 56.400 0.004 0.000 0.919 9 E CB 0.407 30.107 29.700 0.001 0.000 1.025 9 E HN 0.674 nan 8.360 nan 0.000 0.438 10 F N 1.894 121.804 119.950 -0.067 0.000 2.391 10 F HA 0.423 4.950 4.527 -0.000 0.000 0.359 10 F C -0.407 175.389 175.800 -0.007 0.000 1.122 10 F CA -0.762 57.201 58.000 -0.062 0.000 1.120 10 F CB 1.339 40.297 39.000 -0.070 0.000 1.142 10 F HN 0.429 nan 8.300 nan 0.000 0.483 11 D N 5.311 125.360 120.400 -0.585 0.000 2.471 11 D HA 0.124 4.764 4.640 -0.000 0.000 0.245 11 D C 0.520 176.541 176.300 -0.464 0.000 1.116 11 D CA -0.492 53.303 54.000 -0.342 0.000 0.853 11 D CB 1.235 41.943 40.800 -0.152 0.000 1.123 11 D HN 0.675 nan 8.370 nan 0.000 0.540 12 C N 3.405 122.515 119.300 -0.316 0.000 2.425 12 C HA -0.030 4.430 4.460 -0.000 0.000 0.277 12 C C 2.455 177.400 174.990 -0.076 0.000 1.280 12 C CA 1.941 60.854 59.018 -0.175 0.000 1.744 12 C CB -1.217 26.555 27.740 0.054 0.000 1.989 12 C HN 0.803 nan 8.230 nan 0.000 0.491 13 E N 0.401 120.566 120.200 -0.059 0.000 2.110 13 E HA -0.253 4.097 4.350 -0.000 0.000 0.193 13 E C 2.166 178.746 176.600 -0.033 0.000 0.988 13 E CA 1.487 57.864 56.400 -0.038 0.000 0.804 13 E CB -0.728 28.957 29.700 -0.026 0.000 0.745 13 E HN 0.834 nan 8.360 nan 0.000 0.458 14 R N -1.673 118.812 120.500 -0.026 0.000 2.115 14 R HA 0.016 4.355 4.340 -0.000 0.000 0.226 14 R C 2.200 178.566 176.300 0.109 0.000 1.100 14 R CA 1.203 57.325 56.100 0.036 0.000 0.980 14 R CB -0.349 29.986 30.300 0.058 0.000 0.875 14 R HN 0.441 nan 8.270 nan 0.000 0.445 15 F N 1.657 121.530 119.950 -0.128 0.000 2.146 15 F HA -0.078 4.449 4.527 -0.000 0.000 0.298 15 F C 2.282 177.960 175.800 -0.204 0.000 1.096 15 F CA 1.352 59.246 58.000 -0.177 0.000 1.275 15 F CB -0.396 38.385 39.000 -0.365 0.000 1.008 15 F HN -0.106 nan 8.300 nan 0.000 0.480 16 R N 0.144 120.486 120.500 -0.264 0.000 2.112 16 R HA -0.252 4.088 4.340 -0.000 0.000 0.242 16 R C 2.417 178.570 176.300 -0.244 0.000 1.137 16 R CA 1.923 57.834 56.100 -0.316 0.000 0.944 16 R CB -0.845 29.364 30.300 -0.152 0.000 0.857 16 R HN 0.394 nan 8.270 nan 0.000 0.435 17 A N 0.790 123.537 122.820 -0.121 0.000 1.902 17 A HA -0.187 4.132 4.320 -0.000 0.000 0.217 17 A C 1.719 179.248 177.584 -0.091 0.000 1.181 17 A CA 1.866 53.856 52.037 -0.078 0.000 0.623 17 A CB -0.537 18.448 19.000 -0.025 0.000 0.818 17 A HN 0.335 nan 8.150 nan 0.000 0.443 18 D N 0.022 120.396 120.400 -0.044 0.000 2.123 18 D HA -0.140 4.499 4.640 -0.000 0.000 0.196 18 D C 1.817 178.011 176.300 -0.178 0.000 0.992 18 D CA 1.282 55.270 54.000 -0.021 0.000 0.833 18 D CB -0.320 40.620 40.800 0.233 0.000 0.954 18 D HN 0.533 nan 8.370 nan 0.000 0.455 19 I N 0.691 121.126 120.570 -0.225 0.000 2.113 19 I HA -0.260 3.910 4.170 -0.000 0.000 0.238 19 I C 2.583 178.545 176.117 -0.258 0.000 1.070 19 I CA 1.163 62.296 61.300 -0.278 0.000 1.332 19 I CB -0.178 37.499 38.000 -0.538 0.000 1.044 19 I HN -0.121 nan 8.210 nan 0.000 0.402 20 R N 0.633 120.990 120.500 -0.239 0.000 2.103 20 R HA -0.217 4.123 4.340 -0.000 0.000 0.242 20 R C 2.383 178.597 176.300 -0.142 0.000 1.142 20 R CA 1.679 57.672 56.100 -0.178 0.000 0.960 20 R CB -0.627 29.604 30.300 -0.116 0.000 0.858 20 R HN 0.454 nan 8.270 nan 0.000 0.439 21 A N 0.253 122.984 122.820 -0.149 0.000 1.873 21 A HA -0.128 4.192 4.320 -0.000 0.000 0.215 21 A C 2.194 179.668 177.584 -0.182 0.000 1.186 21 A CA 1.868 53.823 52.037 -0.137 0.000 0.616 21 A CB -0.723 18.204 19.000 -0.121 0.000 0.823 21 A HN 0.297 nan 8.150 nan 0.000 0.442 22 T N 0.388 114.769 114.554 -0.289 0.000 2.777 22 T HA 0.042 4.391 4.350 -0.000 0.000 0.266 22 T C 2.236 176.808 174.700 -0.213 0.000 1.040 22 T CA 1.451 63.335 62.100 -0.360 0.000 1.141 22 T CB -0.479 67.954 68.868 -0.726 0.000 0.868 22 T HN 0.571 nan 8.240 nan 0.000 0.444 23 A N 1.768 124.486 122.820 -0.171 0.000 1.883 23 A HA 0.110 4.429 4.320 -0.000 0.000 0.217 23 A C 2.698 180.240 177.584 -0.069 0.000 1.186 23 A CA 1.940 53.925 52.037 -0.087 0.000 0.624 23 A CB -1.272 17.681 19.000 -0.078 0.000 0.822 23 A HN 0.508 nan 8.150 nan 0.000 0.444 24 A N -0.121 122.651 122.820 -0.079 0.000 1.908 24 A HA 0.077 4.397 4.320 -0.000 0.000 0.218 24 A C 2.527 180.080 177.584 -0.051 0.000 1.181 24 A CA 2.417 54.422 52.037 -0.054 0.000 0.627 24 A CB -1.135 17.834 19.000 -0.051 0.000 0.818 24 A HN 1.155 nan 8.150 nan 0.000 0.445 25 A N 0.593 123.368 122.820 -0.075 0.000 1.873 25 A HA -0.146 4.173 4.320 -0.000 0.000 0.218 25 A C 2.043 179.601 177.584 -0.043 0.000 1.193 25 A CA 1.820 53.814 52.037 -0.071 0.000 0.629 25 A CB -0.753 18.179 19.000 -0.114 0.000 0.826 25 A HN 1.104 nan 8.150 nan 0.000 0.447 26 I N -4.531 116.020 120.570 -0.032 0.000 3.883 26 I HA 0.475 4.645 4.170 -0.000 0.000 0.326 26 I C 1.093 177.207 176.117 -0.004 0.000 1.283 26 I CA 0.604 61.905 61.300 0.001 0.000 1.161 26 I CB -0.223 37.807 38.000 0.052 0.000 1.012 26 I HN 0.464 nan 8.210 nan 0.000 0.421 27 G N 1.839 110.631 108.800 -0.013 0.000 2.171 27 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.238 27 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.238 27 G C 0.138 175.033 174.900 -0.009 0.000 1.039 27 G CA 0.039 45.132 45.100 -0.011 0.000 0.759 27 G HN 0.935 nan 8.290 nan 0.000 0.501 28 A N 0.261 123.076 122.820 -0.009 0.000 2.325 28 A HA 0.951 5.270 4.320 -0.000 0.000 0.333 28 A C -1.292 176.290 177.584 -0.004 0.000 1.155 28 A CA -1.269 50.767 52.037 -0.002 0.000 0.814 28 A CB 1.458 20.463 19.000 0.008 0.000 1.206 28 A HN 0.232 nan 8.150 nan 0.000 0.482 29 P HA 0.490 nan 4.420 nan 0.000 0.274 29 P C -0.938 176.354 177.300 -0.014 0.000 1.256 29 P CA -0.109 62.992 63.100 0.001 0.000 0.795 29 P CB 0.815 32.524 31.700 0.015 0.000 1.038 30 I N -0.636 119.912 120.570 -0.037 0.000 2.656 30 I HA 0.568 4.738 4.170 -0.000 0.000 0.292 30 I C -1.432 174.631 176.117 -0.090 0.000 1.144 30 I CA -0.890 60.342 61.300 -0.113 0.000 1.038 30 I CB 1.878 39.720 38.000 -0.264 0.000 1.244 30 I HN 0.398 nan 8.210 nan 0.000 0.420 31 A N 6.257 129.034 122.820 -0.072 0.000 2.316 31 A HA 0.420 4.740 4.320 -0.000 0.000 0.324 31 A C 0.408 177.976 177.584 -0.026 0.000 1.375 31 A CA -0.425 51.613 52.037 0.001 0.000 0.882 31 A CB -0.121 18.909 19.000 0.050 0.000 1.152 31 A HN 0.912 nan 8.150 nan 0.000 0.512 32 H N 1.717 120.793 119.070 0.010 0.000 2.326 32 H HA -0.088 4.468 4.556 -0.000 0.000 0.301 32 H C 1.906 177.236 175.328 0.002 0.000 1.081 32 H CA 1.945 57.989 56.048 -0.008 0.000 1.334 32 H CB 0.263 30.015 29.762 -0.016 0.000 1.385 32 H HN 0.709 nan 8.280 nan 0.000 0.504 33 R N 0.282 120.867 120.500 0.143 0.000 2.082 33 R HA -0.139 4.201 4.340 -0.000 0.000 0.234 33 R C 2.434 178.780 176.300 0.077 0.000 1.136 33 R CA 1.059 57.211 56.100 0.087 0.000 0.935 33 R CB -0.517 29.825 30.300 0.069 0.000 0.842 33 R HN 0.113 nan 8.270 nan 0.000 0.430 34 L N 1.006 122.278 121.223 0.083 0.000 2.043 34 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 34 L C 1.960 178.899 176.870 0.115 0.000 1.075 34 L CA 2.001 56.899 54.840 0.097 0.000 0.752 34 L CB -0.962 41.159 42.059 0.103 0.000 0.891 34 L HN 0.191 nan 8.230 nan 0.000 0.432 35 T N -0.853 113.756 114.554 0.092 0.000 2.737 35 T HA -0.141 4.209 4.350 -0.000 0.000 0.265 35 T C 1.492 176.222 174.700 0.050 0.000 1.038 35 T CA 1.262 63.413 62.100 0.086 0.000 1.144 35 T CB -0.390 68.451 68.868 -0.046 0.000 0.866 35 T HN 0.311 nan 8.240 nan 0.000 0.434 36 D N 1.285 121.702 120.400 0.029 0.000 2.203 36 D HA -0.100 4.540 4.640 -0.000 0.000 0.199 36 D C 2.268 178.599 176.300 0.051 0.000 0.997 36 D CA 1.518 55.535 54.000 0.027 0.000 0.863 36 D CB -0.475 40.344 40.800 0.032 0.000 0.928 36 D HN 0.464 nan 8.370 nan 0.000 0.458 37 T N -0.434 114.161 114.554 0.068 0.000 2.894 37 T HA -0.023 4.327 4.350 -0.000 0.000 0.258 37 T C 2.333 177.093 174.700 0.100 0.000 1.043 37 T CA 0.420 62.560 62.100 0.067 0.000 1.141 37 T CB -0.471 68.436 68.868 0.064 0.000 0.873 37 T HN -0.027 nan 8.240 nan 0.000 0.449 38 V N 1.534 121.545 119.914 0.162 0.000 2.324 38 V HA -0.132 3.987 4.120 -0.000 0.000 0.250 38 V C 2.454 178.722 176.094 0.291 0.000 1.060 38 V CA 1.424 63.866 62.300 0.237 0.000 1.042 38 V CB -0.693 31.260 31.823 0.215 0.000 0.650 38 V HN 0.284 nan 8.190 nan 0.000 0.450 39 L N -0.570 120.790 121.223 0.229 0.000 2.131 39 L HA -0.027 4.312 4.340 -0.000 0.000 0.206 39 L C 2.403 179.401 176.870 0.215 0.000 1.087 39 L CA 1.612 56.614 54.840 0.271 0.000 0.767 39 L CB -0.835 41.294 42.059 0.116 0.000 0.917 39 L HN 0.384 nan 8.230 nan 0.000 0.441 40 E N -0.283 119.983 120.200 0.111 0.000 2.051 40 E HA -0.232 4.118 4.350 -0.000 0.000 0.192 40 E C 2.144 178.738 176.600 -0.011 0.000 0.991 40 E CA 1.206 57.638 56.400 0.053 0.000 0.799 40 E CB 0.050 29.763 29.700 0.022 0.000 0.748 40 E HN 0.430 nan 8.360 nan 0.000 0.449 41 A N 0.015 122.775 122.820 -0.100 0.000 1.978 41 A HA -0.135 4.185 4.320 -0.000 0.000 0.220 41 A C 1.093 178.333 177.584 -0.573 0.000 1.170 41 A CA 1.189 52.991 52.037 -0.391 0.000 0.636 41 A CB -0.255 18.388 19.000 -0.594 0.000 0.810 41 A HN 0.309 nan 8.150 nan 0.000 0.448 42 F N -1.707 118.273 119.950 0.051 0.000 2.835 42 F HA 0.353 4.880 4.527 -0.000 0.000 0.342 42 F C 1.337 177.143 175.800 0.011 0.000 1.202 42 F CA -0.759 57.203 58.000 -0.063 0.000 1.240 42 F CB 0.008 38.907 39.000 -0.169 0.000 1.005 42 F HN 0.128 nan 8.300 nan 0.000 0.507 43 R N 0.697 121.322 120.500 0.208 0.000 2.091 43 R HA -0.178 4.162 4.340 -0.000 0.000 0.238 43 R C 1.120 177.473 176.300 0.088 0.000 1.136 43 R CA 2.401 58.642 56.100 0.236 0.000 0.959 43 R CB -0.057 30.345 30.300 0.170 0.000 0.856 43 R HN 0.175 nan 8.270 nan 0.000 0.437 44 D N -0.317 120.080 120.400 -0.004 0.000 2.144 44 D HA -0.086 4.554 4.640 -0.000 0.000 0.200 44 D C 1.476 177.655 176.300 -0.201 0.000 0.978 44 D CA 1.301 55.257 54.000 -0.074 0.000 0.833 44 D CB -0.239 40.531 40.800 -0.051 0.000 0.961 44 D HN 0.389 nan 8.370 nan 0.000 0.470 45 N N -0.369 118.127 118.700 -0.340 0.000 2.106 45 N HA -0.093 4.647 4.740 -0.000 0.000 0.188 45 N C 1.444 176.520 175.510 -0.724 0.000 1.029 45 N CA 0.696 53.332 53.050 -0.691 0.000 0.848 45 N CB -0.265 37.350 38.487 -1.452 0.000 1.007 45 N HN 0.047 nan 8.380 nan 0.000 0.423 46 F N 1.366 120.943 119.950 -0.622 0.000 2.095 46 F HA -0.086 4.441 4.527 -0.000 0.000 0.298 46 F C 2.445 177.604 175.800 -1.070 0.000 1.104 46 F CA 0.989 58.572 58.000 -0.695 0.000 1.232 46 F CB -0.916 37.714 39.000 -0.617 0.000 0.987 46 F HN 0.032 nan 8.300 nan 0.000 0.475 47 A N -0.662 121.732 122.820 -0.709 0.000 1.892 47 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 47 A C 2.037 179.427 177.584 -0.323 0.000 1.188 47 A CA 2.106 53.813 52.037 -0.550 0.000 0.631 47 A CB -0.828 18.092 19.000 -0.134 0.000 0.822 47 A HN 0.503 nan 8.150 nan 0.000 0.447 48 Q N -1.298 118.356 119.800 -0.244 0.000 2.319 48 Q HA 0.250 4.590 4.340 -0.000 0.000 0.202 48 Q C 1.043 176.971 176.000 -0.120 0.000 0.896 48 Q CA 0.160 55.878 55.803 -0.142 0.000 0.942 48 Q CB 0.501 29.178 28.738 -0.102 0.000 1.083 48 Q HN 0.661 nan 8.270 nan 0.000 0.510 49 G N -0.006 108.704 108.800 -0.150 0.000 3.008 49 G HA2 0.639 4.598 3.960 -0.000 0.000 0.181 49 G HA3 0.639 4.598 3.960 -0.000 0.000 0.181 49 G C -1.301 173.560 174.900 -0.066 0.000 1.309 49 G CA -0.406 44.658 45.100 -0.060 0.000 1.009 49 G HN 0.119 nan 8.290 nan 0.000 0.584 50 A N 0.353 123.166 122.820 -0.012 0.000 2.394 50 A HA 0.651 4.970 4.320 -0.000 0.000 0.333 50 A C 0.274 177.820 177.584 -0.064 0.000 1.397 50 A CA -0.365 51.648 52.037 -0.041 0.000 0.884 50 A CB -0.099 18.881 19.000 -0.033 0.000 1.147 50 A HN 0.493 nan 8.150 nan 0.000 0.505 51 T N 2.563 117.084 114.554 -0.056 0.000 2.926 51 T HA 0.480 4.830 4.350 -0.000 0.000 0.307 51 T C -0.001 174.598 174.700 -0.169 0.000 1.059 51 T CA 0.513 62.582 62.100 -0.052 0.000 1.122 51 T CB 0.224 69.039 68.868 -0.088 0.000 0.972 51 T HN 1.135 nan 8.240 nan 0.000 0.545 52 L N -0.895 120.163 121.223 -0.275 0.000 2.710 52 L HA 0.768 5.108 4.340 -0.000 0.000 0.260 52 L C -1.955 174.754 176.870 -0.269 0.000 0.993 52 L CA -1.348 53.303 54.840 -0.316 0.000 0.877 52 L CB 1.211 43.133 42.059 -0.229 0.000 1.461 52 L HN 0.645 nan 8.230 nan 0.000 0.413 53 W N 1.099 122.482 121.300 0.138 0.000 2.448 53 W HA 0.801 5.461 4.660 -0.000 0.000 0.339 53 W C -0.442 176.285 176.519 0.346 0.000 1.124 53 W CA -0.208 57.291 57.345 0.258 0.000 1.262 53 W CB 1.537 31.137 29.460 0.234 0.000 1.251 53 W HN 0.613 nan 8.180 nan 0.000 0.597 54 K N 0.364 121.104 120.400 0.566 0.000 2.532 54 K HA 0.862 5.182 4.320 -0.000 0.000 0.265 54 K C -0.978 175.535 176.600 -0.145 0.000 0.948 54 K CA -0.983 55.425 56.287 0.201 0.000 0.842 54 K CB 2.387 34.944 32.500 0.096 0.000 1.392 54 K HN 0.351 nan 8.250 nan 0.000 0.436 55 T N -0.254 113.929 114.554 -0.617 0.000 2.645 55 T HA 0.592 4.941 4.350 -0.000 0.000 0.300 55 T C -1.442 173.026 174.700 -0.386 0.000 1.210 55 T CA -0.188 61.623 62.100 -0.482 0.000 1.034 55 T CB 1.730 70.268 68.868 -0.551 0.000 1.537 55 T HN 0.913 nan 8.240 nan 0.000 0.492 56 T N -1.343 113.025 114.554 -0.310 0.000 2.907 56 T HA 0.525 4.875 4.350 -0.000 0.000 0.290 56 T C 1.176 175.743 174.700 -0.222 0.000 1.066 56 T CA 0.223 62.167 62.100 -0.260 0.000 1.012 56 T CB 1.272 69.865 68.868 -0.459 0.000 1.184 56 T HN 0.725 nan 8.240 nan 0.000 0.522 57 S N -0.463 115.152 115.700 -0.142 0.000 2.607 57 S HA 0.055 4.525 4.470 -0.000 0.000 0.224 57 S C 0.640 175.187 174.600 -0.089 0.000 0.969 57 S CA -0.180 57.967 58.200 -0.088 0.000 0.927 57 S CB -0.703 62.478 63.200 -0.032 0.000 0.772 57 S HN 0.752 nan 8.310 nan 0.000 0.533 58 Q N 2.657 122.355 119.800 -0.170 0.000 2.274 58 Q HA 0.228 4.568 4.340 -0.000 0.000 0.280 58 Q C -2.497 173.446 176.000 -0.095 0.000 1.047 58 Q CA -1.587 54.128 55.803 -0.146 0.000 0.907 58 Q CB 0.305 28.896 28.738 -0.245 0.000 1.171 58 Q HN 0.258 nan 8.270 nan 0.000 0.381 59 P HA -0.021 nan 4.420 nan 0.000 0.268 59 P C 0.097 177.374 177.300 -0.038 0.000 1.205 59 P CA 0.633 63.711 63.100 -0.037 0.000 0.771 59 P CB 0.669 32.359 31.700 -0.017 0.000 0.858 60 G N 1.555 110.337 108.800 -0.031 0.000 2.258 60 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.274 60 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.274 60 G C 0.227 175.109 174.900 -0.031 0.000 1.021 60 G CA 0.061 45.147 45.100 -0.023 0.000 0.798 60 G HN 0.574 nan 8.290 nan 0.000 0.507 61 D N -0.179 120.187 120.400 -0.057 0.000 2.357 61 D HA 0.313 4.953 4.640 -0.000 0.000 0.242 61 D C 1.048 177.324 176.300 -0.040 0.000 1.153 61 D CA -0.202 53.755 54.000 -0.071 0.000 0.918 61 D CB 0.494 41.210 40.800 -0.140 0.000 1.181 61 D HN 0.232 nan 8.370 nan 0.000 0.435 62 Q N 0.618 120.407 119.800 -0.018 0.000 2.432 62 Q HA 0.103 4.443 4.340 -0.000 0.000 0.264 62 Q C -0.345 175.678 176.000 0.039 0.000 1.035 62 Q CA -0.263 55.556 55.803 0.026 0.000 0.908 62 Q CB 0.792 29.562 28.738 0.053 0.000 1.280 62 Q HN 0.378 nan 8.270 nan 0.000 0.455 63 L N 1.577 122.857 121.223 0.095 0.000 2.278 63 L HA 0.181 4.521 4.340 -0.000 0.000 0.287 63 L C -0.624 176.414 176.870 0.281 0.000 1.072 63 L CA 0.461 55.409 54.840 0.181 0.000 0.819 63 L CB 0.844 43.011 42.059 0.181 0.000 1.176 63 L HN 0.394 nan 8.230 nan 0.000 0.435 64 S N 4.388 120.256 115.700 0.280 0.000 2.565 64 S HA 0.672 5.141 4.470 -0.000 0.000 0.290 64 S C -1.066 173.804 174.600 0.450 0.000 1.150 64 S CA -0.318 58.049 58.200 0.278 0.000 1.058 64 S CB 1.082 64.364 63.200 0.138 0.000 1.032 64 S HN 0.552 nan 8.310 nan 0.000 0.510 65 Y N -0.082 120.390 120.300 0.286 0.000 2.536 65 Y HA 0.841 5.390 4.550 -0.000 0.000 0.347 65 Y C -0.447 175.625 175.900 0.286 0.000 1.000 65 Y CA -1.351 56.892 58.100 0.239 0.000 1.051 65 Y CB 1.163 39.746 38.460 0.206 0.000 1.259 65 Y HN 0.680 nan 8.280 nan 0.000 0.468 66 R N 3.016 123.648 120.500 0.221 0.000 2.668 66 R HA 0.597 4.937 4.340 -0.000 0.000 0.272 66 R C -2.187 174.098 176.300 -0.026 0.000 1.019 66 R CA -0.827 55.252 56.100 -0.036 0.000 0.894 66 R CB 1.854 31.883 30.300 -0.451 0.000 1.228 66 R HN 0.847 nan 8.270 nan 0.000 0.460 67 F N 1.521 121.347 119.950 -0.208 0.000 2.469 67 F HA 0.636 5.163 4.527 -0.000 0.000 0.332 67 F C -1.615 174.026 175.800 -0.266 0.000 1.103 67 F CA -1.227 56.581 58.000 -0.321 0.000 0.979 67 F CB 0.977 39.627 39.000 -0.583 0.000 1.137 67 F HN 0.172 nan 8.300 nan 0.000 0.463 68 F N 2.314 122.244 119.950 -0.034 0.000 2.391 68 F HA 0.426 4.953 4.527 -0.000 0.000 0.359 68 F C 0.683 176.578 175.800 0.158 0.000 1.122 68 F CA -0.977 57.015 58.000 -0.013 0.000 1.120 68 F CB 1.132 40.051 39.000 -0.135 0.000 1.142 68 F HN 0.591 nan 8.300 nan 0.000 0.483 69 S N 3.674 119.663 115.700 0.481 0.000 2.573 69 S HA 0.193 4.663 4.470 -0.000 0.000 0.277 69 S C 1.366 176.088 174.600 0.204 0.000 1.346 69 S CA -0.213 58.190 58.200 0.338 0.000 1.034 69 S CB 0.858 64.252 63.200 0.324 0.000 0.879 69 S HN 0.630 nan 8.310 nan 0.000 0.528 70 R N -0.094 120.465 120.500 0.099 0.000 2.342 70 R HA 0.215 4.555 4.340 -0.000 0.000 0.204 70 R C -0.176 176.159 176.300 0.059 0.000 0.882 70 R CA -0.240 55.903 56.100 0.072 0.000 1.041 70 R CB 0.069 30.382 30.300 0.021 0.000 1.188 70 R HN 0.419 nan 8.270 nan 0.000 0.598 71 L N 3.015 124.255 121.223 0.028 0.000 2.342 71 L HA 0.170 4.510 4.340 -0.000 0.000 0.285 71 L C -0.064 176.840 176.870 0.057 0.000 1.095 71 L CA 0.151 55.002 54.840 0.019 0.000 0.843 71 L CB 0.424 42.463 42.059 -0.034 0.000 1.201 71 L HN -0.174 nan 8.230 nan 0.000 0.445 72 K N 7.666 128.108 120.400 0.070 0.000 2.339 72 K HA 0.536 4.856 4.320 -0.000 0.000 0.286 72 K C -0.768 175.879 176.600 0.077 0.000 1.050 72 K CA -0.172 56.167 56.287 0.087 0.000 0.956 72 K CB 0.369 32.916 32.500 0.079 0.000 0.990 72 K HN 0.887 nan 8.250 nan 0.000 0.475 73 M N 1.130 120.789 119.600 0.098 0.000 2.956 73 M HA 0.189 4.669 4.480 -0.000 0.000 0.272 73 M C -1.486 174.888 176.300 0.124 0.000 1.132 73 M CA -1.024 54.333 55.300 0.095 0.000 0.805 73 M CB 0.975 33.629 32.600 0.089 0.000 1.639 73 M HN 0.248 nan 8.290 nan 0.000 0.520 74 D N 1.904 122.373 120.400 0.115 0.000 2.508 74 D HA 0.188 4.828 4.640 -0.000 0.000 0.224 74 D C 1.290 177.699 176.300 0.182 0.000 1.171 74 D CA 0.655 54.731 54.000 0.126 0.000 1.006 74 D CB 0.768 41.623 40.800 0.092 0.000 1.073 74 D HN 0.753 nan 8.370 nan 0.000 0.513 75 T N -0.777 113.922 114.554 0.243 0.000 2.977 75 T HA -0.138 4.212 4.350 -0.000 0.000 0.271 75 T C 1.750 176.646 174.700 0.327 0.000 1.105 75 T CA 1.018 63.348 62.100 0.384 0.000 1.116 75 T CB -0.133 68.941 68.868 0.344 0.000 0.878 75 T HN 0.127 nan 8.240 nan 0.000 0.509 76 V N 1.497 121.531 119.914 0.199 0.000 2.273 76 V HA -0.093 4.026 4.120 -0.000 0.000 0.242 76 V C 3.042 179.183 176.094 0.079 0.000 1.035 76 V CA 1.735 64.108 62.300 0.121 0.000 1.013 76 V CB -1.176 30.717 31.823 0.118 0.000 0.652 76 V HN 0.647 nan 8.190 nan 0.000 0.452 77 S N 0.493 116.240 115.700 0.078 0.000 2.372 77 S HA -0.348 4.122 4.470 -0.000 0.000 0.227 77 S C 2.195 176.817 174.600 0.037 0.000 1.044 77 S CA 2.445 60.671 58.200 0.043 0.000 1.050 77 S CB -0.385 62.840 63.200 0.041 0.000 0.901 77 S HN 0.518 nan 8.310 nan 0.000 0.447 78 R N 1.623 122.167 120.500 0.073 0.000 2.094 78 R HA -0.018 4.322 4.340 -0.000 0.000 0.239 78 R C 2.406 178.716 176.300 0.016 0.000 1.137 78 R CA 2.257 58.369 56.100 0.020 0.000 0.943 78 R CB -1.451 28.885 30.300 0.060 0.000 0.850 78 R HN 0.445 nan 8.270 nan 0.000 0.433 79 A N 0.431 123.361 122.820 0.184 0.000 1.892 79 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 79 A C 2.400 179.990 177.584 0.010 0.000 1.188 79 A CA 2.009 54.153 52.037 0.178 0.000 0.631 79 A CB -0.774 18.321 19.000 0.159 0.000 0.822 79 A HN 0.437 nan 8.150 nan 0.000 0.447 80 I N -0.294 120.254 120.570 -0.036 0.000 2.127 80 I HA -0.281 3.888 4.170 -0.000 0.000 0.241 80 I C 2.171 178.268 176.117 -0.033 0.000 1.075 80 I CA 1.680 62.947 61.300 -0.056 0.000 1.334 80 I CB -0.479 37.487 38.000 -0.056 0.000 1.040 80 I HN 0.287 nan 8.210 nan 0.000 0.405 81 D N 1.020 121.402 120.400 -0.029 0.000 2.126 81 D HA -0.215 4.424 4.640 -0.000 0.000 0.190 81 D C 2.098 178.374 176.300 -0.039 0.000 1.001 81 D CA 1.914 55.894 54.000 -0.034 0.000 0.841 81 D CB -0.189 40.584 40.800 -0.045 0.000 0.949 81 D HN 0.387 nan 8.370 nan 0.000 0.446 82 A N -0.321 122.466 122.820 -0.055 0.000 2.248 82 A HA 0.256 4.575 4.320 -0.000 0.000 0.210 82 A C 1.713 179.291 177.584 -0.010 0.000 1.174 82 A CA 1.406 53.415 52.037 -0.047 0.000 0.750 82 A CB -0.447 18.504 19.000 -0.082 0.000 0.780 82 A HN 0.346 nan 8.150 nan 0.000 0.478 83 G N -1.092 107.702 108.800 -0.010 0.000 2.160 83 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.251 83 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.251 83 G C 0.540 175.448 174.900 0.012 0.000 1.008 83 G CA 0.488 45.587 45.100 -0.002 0.000 0.724 83 G HN 0.593 nan 8.290 nan 0.000 0.514 84 L N -1.184 120.055 121.223 0.026 0.000 2.591 84 L HA 0.560 4.899 4.340 -0.000 0.000 0.228 84 L C 0.601 177.453 176.870 -0.030 0.000 1.133 84 L CA 0.115 54.988 54.840 0.055 0.000 0.880 84 L CB 0.197 42.357 42.059 0.168 0.000 1.033 84 L HN 0.332 nan 8.230 nan 0.000 0.450 85 L N -0.779 120.390 121.223 -0.091 0.000 2.666 85 L HA 0.366 4.706 4.340 -0.000 0.000 0.259 85 L C -1.497 175.275 176.870 -0.163 0.000 0.919 85 L CA -0.564 54.137 54.840 -0.231 0.000 0.927 85 L CB 1.779 43.575 42.059 -0.437 0.000 1.423 85 L HN -0.112 nan 8.230 nan 0.000 0.426 86 D N 3.350 123.683 120.400 -0.113 0.000 2.312 86 D HA 0.565 5.204 4.640 -0.000 0.000 0.252 86 D C 1.127 177.418 176.300 -0.015 0.000 1.150 86 D CA 0.618 54.606 54.000 -0.020 0.000 0.870 86 D CB 2.102 42.935 40.800 0.054 0.000 1.153 86 D HN 0.788 nan 8.370 nan 0.000 0.457 87 A N 3.676 126.490 122.820 -0.011 0.000 2.019 87 A HA -0.015 4.305 4.320 -0.000 0.000 0.219 87 A C 1.895 179.498 177.584 0.031 0.000 1.164 87 A CA 1.496 53.531 52.037 -0.002 0.000 0.644 87 A CB -0.466 18.533 19.000 -0.001 0.000 0.805 87 A HN 0.637 nan 8.150 nan 0.000 0.449 88 A N -1.407 121.439 122.820 0.044 0.000 2.278 88 A HA 0.134 4.453 4.320 -0.000 0.000 0.212 88 A C 0.854 178.487 177.584 0.082 0.000 1.213 88 A CA -0.293 51.775 52.037 0.051 0.000 0.840 88 A CB -0.652 18.369 19.000 0.035 0.000 0.866 88 A HN 0.590 nan 8.150 nan 0.000 0.489 89 H N 1.693 120.774 119.070 0.019 0.000 3.004 89 H HA 0.071 4.627 4.556 -0.000 0.000 0.316 89 H C -1.786 173.592 175.328 0.084 0.000 1.014 89 H CA -0.737 55.344 56.048 0.056 0.000 1.454 89 H CB 1.246 31.021 29.762 0.022 0.000 1.472 89 H HN 0.164 nan 8.280 nan 0.000 0.571 90 P HA 0.033 nan 4.420 nan 0.000 0.253 90 P C 0.557 177.903 177.300 0.077 0.000 1.260 90 P CA 0.250 63.378 63.100 0.048 0.000 0.800 90 P CB 0.345 32.074 31.700 0.050 0.000 1.162 91 T N -0.533 114.194 114.554 0.289 0.000 3.069 91 T HA 0.194 4.543 4.350 -0.000 0.000 0.252 91 T C 1.643 176.393 174.700 0.083 0.000 1.053 91 T CA -0.036 62.109 62.100 0.075 0.000 0.964 91 T CB -0.281 68.541 68.868 -0.077 0.000 1.005 91 T HN 0.008 nan 8.240 nan 0.000 0.532 92 L N 1.179 122.565 121.223 0.271 0.000 2.012 92 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 92 L C 2.935 179.838 176.870 0.054 0.000 1.073 92 L CA 1.481 56.460 54.840 0.231 0.000 0.748 92 L CB -0.543 41.623 42.059 0.177 0.000 0.891 92 L HN 0.262 nan 8.230 nan 0.000 0.431 93 A N -0.851 121.969 122.820 0.000 0.000 2.070 93 A HA -0.101 4.219 4.320 -0.000 0.000 0.220 93 A C 2.269 179.765 177.584 -0.147 0.000 1.159 93 A CA 1.465 53.471 52.037 -0.052 0.000 0.656 93 A CB -0.569 18.404 19.000 -0.044 0.000 0.800 93 A HN 0.241 nan 8.150 nan 0.000 0.453 94 V N -0.742 119.016 119.914 -0.260 0.000 2.346 94 V HA -0.158 3.962 4.120 -0.000 0.000 0.244 94 V C 2.528 178.290 176.094 -0.553 0.000 1.037 94 V CA 1.678 63.653 62.300 -0.542 0.000 1.029 94 V CB -0.574 30.783 31.823 -0.776 0.000 0.663 94 V HN 0.357 nan 8.190 nan 0.000 0.454 95 V N 0.473 120.192 119.914 -0.324 0.000 2.392 95 V HA -0.317 3.803 4.120 -0.000 0.000 0.249 95 V C 2.226 178.327 176.094 0.011 0.000 1.059 95 V CA 2.501 64.743 62.300 -0.096 0.000 1.051 95 V CB -0.704 31.142 31.823 0.039 0.000 0.658 95 V HN 0.579 nan 8.190 nan 0.000 0.455 96 D N -0.125 120.270 120.400 -0.009 0.000 2.097 96 D HA -0.086 4.554 4.640 -0.000 0.000 0.197 96 D C 2.188 178.500 176.300 0.020 0.000 0.984 96 D CA 1.366 55.379 54.000 0.021 0.000 0.826 96 D CB -0.237 40.573 40.800 0.016 0.000 0.973 96 D HN 0.349 nan 8.370 nan 0.000 0.460 97 A N 0.378 123.173 122.820 -0.042 0.000 1.869 97 A HA -0.228 4.091 4.320 -0.000 0.000 0.218 97 A C 2.064 179.738 177.584 0.151 0.000 1.203 97 A CA 1.714 53.743 52.037 -0.013 0.000 0.638 97 A CB -1.382 17.544 19.000 -0.122 0.000 0.831 97 A HN 0.416 nan 8.150 nan 0.000 0.450 98 W N 0.206 121.522 121.300 0.026 0.000 2.358 98 W HA -0.049 4.611 4.660 -0.000 0.000 0.303 98 W C 2.849 179.427 176.519 0.099 0.000 1.208 98 W CA 0.977 58.392 57.345 0.115 0.000 1.274 98 W CB -1.463 28.097 29.460 0.167 0.000 1.138 98 W HN 0.344 nan 8.180 nan 0.000 0.515 99 S N -0.146 115.709 115.700 0.258 0.000 2.399 99 S HA -0.125 4.344 4.470 -0.000 0.000 0.231 99 S C 1.858 176.519 174.600 0.101 0.000 1.022 99 S CA 1.562 59.839 58.200 0.128 0.000 0.983 99 S CB -0.336 62.921 63.200 0.094 0.000 0.803 99 S HN 0.114 nan 8.310 nan 0.000 0.480 100 S N 0.951 116.705 115.700 0.090 0.000 2.527 100 S HA 0.230 4.700 4.470 -0.000 0.000 0.222 100 S C 0.638 175.236 174.600 -0.004 0.000 0.985 100 S CA 0.012 58.237 58.200 0.042 0.000 0.921 100 S CB -0.199 63.017 63.200 0.026 0.000 0.772 100 S HN 0.360 nan 8.310 nan 0.000 0.529 101 L N 1.686 122.894 121.223 -0.025 0.000 2.499 101 L HA 0.005 4.345 4.340 -0.000 0.000 0.281 101 L C 0.076 176.799 176.870 -0.243 0.000 1.234 101 L CA -0.219 54.443 54.840 -0.297 0.000 0.839 101 L CB -0.320 41.465 42.059 -0.457 0.000 1.104 101 L HN 0.372 nan 8.230 nan 0.000 0.500 102 Y N 0.697 121.007 120.300 0.017 0.000 3.001 102 Y HA -0.183 4.367 4.550 -0.000 0.000 0.207 102 Y C 1.364 177.266 175.900 0.003 0.000 1.231 102 Y CA 0.577 58.675 58.100 -0.003 0.000 1.024 102 Y CB -2.580 35.866 38.460 -0.022 0.000 1.267 102 Y HN 0.842 nan 8.280 nan 0.000 0.501 103 G N -0.040 108.791 108.800 0.052 0.000 2.266 103 G HA2 0.137 4.097 3.960 -0.000 0.000 0.269 103 G HA3 0.137 4.097 3.960 -0.000 0.000 0.269 103 G C 1.188 176.123 174.900 0.059 0.000 0.863 103 G CA 1.190 46.316 45.100 0.043 0.000 1.268 103 G HN 2.291 nan 8.290 nan 0.000 0.426 104 G N -0.890 107.945 108.800 0.059 0.000 2.168 104 G HA2 0.021 3.980 3.960 -0.000 0.000 0.257 104 G HA3 0.021 3.980 3.960 -0.000 0.000 0.257 104 G C 1.572 176.511 174.900 0.065 0.000 0.997 104 G CA 1.290 46.425 45.100 0.060 0.000 0.708 104 G HN 2.102 nan 8.290 nan 0.000 0.520 105 A N 0.447 123.324 122.820 0.095 0.000 1.883 105 A HA 0.237 4.557 4.320 -0.000 0.000 0.217 105 A C 0.046 177.634 177.584 0.007 0.000 1.186 105 A CA 1.817 53.890 52.037 0.061 0.000 0.624 105 A CB -1.051 17.995 19.000 0.076 0.000 0.822 105 A HN 0.529 nan 8.150 nan 0.000 0.444 106 P HA 0.337 nan 4.420 nan 0.000 0.270 106 P C -0.851 176.403 177.300 -0.077 0.000 1.227 106 P CA 0.090 63.110 63.100 -0.134 0.000 0.788 106 P CB 0.744 32.333 31.700 -0.186 0.000 0.926 107 V N 1.242 121.103 119.914 -0.089 0.000 2.638 107 V HA 0.291 4.411 4.120 -0.000 0.000 0.306 107 V C -0.090 176.027 176.094 0.039 0.000 1.052 107 V CA -0.742 61.575 62.300 0.029 0.000 0.885 107 V CB 1.579 33.473 31.823 0.119 0.000 0.999 107 V HN 0.439 nan 8.190 nan 0.000 0.424 108 Q N 1.533 121.385 119.800 0.088 0.000 2.259 108 Q HA 0.665 5.004 4.340 -0.000 0.000 0.249 108 Q C -0.362 175.734 176.000 0.161 0.000 0.914 108 Q CA -0.173 55.695 55.803 0.108 0.000 0.904 108 Q CB 1.681 30.495 28.738 0.127 0.000 1.213 108 Q HN 0.845 nan 8.270 nan 0.000 0.428 109 S N -0.353 115.392 115.700 0.075 0.000 2.709 109 S HA 0.838 5.308 4.470 -0.000 0.000 0.302 109 S C -0.747 173.513 174.600 -0.568 0.000 1.127 109 S CA -0.817 57.257 58.200 -0.211 0.000 0.905 109 S CB 1.898 65.091 63.200 -0.012 0.000 1.151 109 S HN 0.701 nan 8.310 nan 0.000 0.510 110 G N 0.731 108.697 108.800 -1.390 0.000 2.666 110 G HA2 0.605 4.565 3.960 -0.000 0.000 0.303 110 G HA3 0.605 4.565 3.960 -0.000 0.000 0.303 110 G C -2.028 172.335 174.900 -0.895 0.000 1.412 110 G CA -0.519 43.900 45.100 -1.135 0.000 0.979 110 G HN 0.448 nan 8.290 nan 0.000 0.507 111 D N 0.797 120.695 120.400 -0.837 0.000 2.278 111 D HA 0.704 5.344 4.640 -0.000 0.000 0.245 111 D C -0.633 175.147 176.300 -0.866 0.000 1.052 111 D CA 0.101 53.781 54.000 -0.533 0.000 0.834 111 D CB 1.794 42.537 40.800 -0.095 0.000 1.194 111 D HN 0.197 nan 8.370 nan 0.000 0.481 112 F N 0.164 119.922 119.950 -0.321 0.000 2.629 112 F HA 0.443 4.970 4.527 -0.000 0.000 0.316 112 F C -0.181 175.399 175.800 -0.367 0.000 1.081 112 F CA -0.995 56.763 58.000 -0.404 0.000 0.954 112 F CB 1.667 40.223 39.000 -0.741 0.000 1.337 112 F HN -0.043 nan 8.300 nan 0.000 0.474 113 D N -0.010 120.421 120.400 0.052 0.000 2.481 113 D HA 0.543 5.183 4.640 -0.000 0.000 0.244 113 D C 0.677 177.160 176.300 0.305 0.000 1.057 113 D CA -0.314 53.779 54.000 0.155 0.000 0.848 113 D CB 2.079 42.952 40.800 0.122 0.000 1.388 113 D HN 0.608 nan 8.370 nan 0.000 0.475 114 A N 2.111 125.141 122.820 0.351 0.000 1.896 114 A HA -0.102 4.217 4.320 -0.000 0.000 0.220 114 A C 1.503 179.171 177.584 0.140 0.000 1.206 114 A CA 2.222 54.412 52.037 0.255 0.000 0.647 114 A CB -0.511 18.569 19.000 0.133 0.000 0.828 114 A HN 0.575 nan 8.150 nan 0.000 0.455 115 G N -2.903 105.963 108.800 0.109 0.000 4.250 115 G HA2 0.473 4.432 3.960 -0.000 0.000 0.295 115 G HA3 0.473 4.432 3.960 -0.000 0.000 0.295 115 G C 0.684 175.632 174.900 0.080 0.000 1.081 115 G CA 0.191 45.333 45.100 0.070 0.000 0.854 115 G HN 0.357 nan 8.290 nan 0.000 0.524 116 R N -1.064 119.499 120.500 0.106 0.000 2.580 116 R HA 0.324 4.664 4.340 -0.000 0.000 0.285 116 R C 1.262 177.634 176.300 0.119 0.000 0.947 116 R CA 0.606 56.764 56.100 0.097 0.000 1.102 116 R CB 1.069 31.421 30.300 0.086 0.000 1.696 116 R HN 0.546 nan 8.270 nan 0.000 0.506 117 G N 1.965 110.863 108.800 0.165 0.000 2.498 117 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.245 117 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.245 117 G C -0.169 174.870 174.900 0.232 0.000 1.204 117 G CA 0.082 45.315 45.100 0.222 0.000 0.933 117 G HN 0.214 nan 8.290 nan 0.000 0.574 118 M N 1.911 121.650 119.600 0.233 0.000 2.248 118 M HA 0.516 4.996 4.480 -0.000 0.000 0.345 118 M C 1.183 177.483 176.300 0.000 0.000 1.243 118 M CA 1.802 57.142 55.300 0.066 0.000 1.090 118 M CB 0.984 33.589 32.600 0.008 0.000 1.683 118 M HN 1.662 nan 8.290 nan 0.000 0.450 119 A N 5.104 127.872 122.820 -0.087 0.000 1.989 119 A HA 0.398 4.718 4.320 -0.000 0.000 0.201 119 A C -0.014 177.642 177.584 0.120 0.000 1.720 119 A CA 0.153 52.209 52.037 0.032 0.000 0.956 119 A CB 0.506 19.497 19.000 -0.015 0.000 1.094 119 A HN 0.716 nan 8.150 nan 0.000 0.561 120 K N -0.764 119.650 120.400 0.024 0.000 2.480 120 K HA 0.617 4.936 4.320 -0.000 0.000 0.258 120 K C -1.581 175.038 176.600 0.031 0.000 0.990 120 K CA -0.538 55.742 56.287 -0.013 0.000 0.857 120 K CB 1.997 34.457 32.500 -0.066 0.000 1.384 120 K HN 0.080 nan 8.250 nan 0.000 0.446 121 T N 0.865 115.402 114.554 -0.029 0.000 2.797 121 T HA 0.399 4.748 4.350 -0.000 0.000 0.279 121 T C -1.337 173.343 174.700 -0.032 0.000 0.991 121 T CA -0.525 61.617 62.100 0.070 0.000 0.979 121 T CB 0.404 69.425 68.868 0.256 0.000 0.943 121 T HN 0.292 nan 8.240 nan 0.000 0.444 122 W N 2.971 124.194 121.300 -0.128 0.000 2.512 122 W HA 0.714 5.374 4.660 -0.000 0.000 0.335 122 W C -0.675 175.770 176.519 -0.123 0.000 1.088 122 W CA -0.721 56.560 57.345 -0.107 0.000 1.236 122 W CB 0.935 30.341 29.460 -0.090 0.000 1.307 122 W HN 0.306 nan 8.180 nan 0.000 0.567 123 L N 3.550 124.773 121.223 0.001 0.000 2.406 123 L HA 0.274 4.614 4.340 -0.000 0.000 0.272 123 L C -1.300 175.366 176.870 -0.340 0.000 0.980 123 L CA -1.261 53.414 54.840 -0.274 0.000 0.831 123 L CB 1.456 43.175 42.059 -0.567 0.000 1.253 123 L HN 0.319 nan 8.230 nan 0.000 0.406 124 Y N 3.031 123.059 120.300 -0.453 0.000 2.335 124 Y HA 0.309 4.859 4.550 -0.000 0.000 0.339 124 Y C 0.043 175.580 175.900 -0.606 0.000 0.987 124 Y CA -0.557 57.203 58.100 -0.568 0.000 1.140 124 Y CB 0.920 38.864 38.460 -0.859 0.000 1.173 124 Y HN 0.473 nan 8.280 nan 0.000 0.486 125 F N 3.692 123.070 119.950 -0.953 0.000 2.710 125 F HA 0.193 4.720 4.527 -0.000 0.000 0.298 125 F C 1.959 177.189 175.800 -0.951 0.000 1.137 125 F CA 1.160 58.718 58.000 -0.737 0.000 1.444 125 F CB 0.198 38.884 39.000 -0.523 0.000 1.111 125 F HN 0.889 nan 8.300 nan 0.000 0.580 126 G N -0.689 107.140 108.800 -1.619 0.000 2.284 126 G HA2 -0.102 3.857 3.960 -0.000 0.000 0.216 126 G HA3 -0.102 3.857 3.960 -0.000 0.000 0.216 126 G C 0.682 175.230 174.900 -0.587 0.000 1.009 126 G CA -0.190 44.239 45.100 -1.118 0.000 0.625 126 G HN 0.775 nan 8.290 nan 0.000 0.501 127 G N -1.051 107.431 108.800 -0.529 0.000 3.085 127 G HA2 0.610 4.570 3.960 -0.000 0.000 0.264 127 G HA3 0.610 4.570 3.960 -0.000 0.000 0.264 127 G C -0.951 173.767 174.900 -0.304 0.000 1.206 127 G CA -0.477 44.423 45.100 -0.332 0.000 0.809 127 G HN 0.731 nan 8.290 nan 0.000 0.592 128 L N 1.817 122.879 121.223 -0.268 0.000 2.709 128 L HA 0.396 4.736 4.340 -0.000 0.000 0.236 128 L C -0.042 176.728 176.870 -0.168 0.000 1.266 128 L CA -0.758 53.934 54.840 -0.247 0.000 0.987 128 L CB 0.425 42.287 42.059 -0.328 0.000 1.306 128 L HN 0.154 nan 8.230 nan 0.000 0.467 129 R N 1.082 121.452 120.500 -0.217 0.000 2.643 129 R HA 0.230 4.570 4.340 -0.000 0.000 0.270 129 R C -2.354 173.908 176.300 -0.064 0.000 1.061 129 R CA -2.946 53.037 56.100 -0.195 0.000 1.107 129 R CB -0.608 29.488 30.300 -0.339 0.000 0.999 129 R HN 0.018 nan 8.270 nan 0.000 0.460 130 P HA -0.049 nan 4.420 nan 0.000 0.261 130 P C 0.272 177.494 177.300 -0.130 0.000 1.183 130 P CA 0.433 63.501 63.100 -0.052 0.000 0.761 130 P CB 0.411 32.092 31.700 -0.030 0.000 0.785 131 A N 4.401 127.151 122.820 -0.116 0.000 1.971 131 A HA -0.300 4.020 4.320 -0.000 0.000 0.222 131 A C 2.125 179.670 177.584 -0.066 0.000 1.182 131 A CA 1.792 53.784 52.037 -0.076 0.000 0.649 131 A CB -1.084 17.969 19.000 0.090 0.000 0.818 131 A HN 0.582 nan 8.150 nan 0.000 0.458 132 E N -0.341 119.833 120.200 -0.044 0.000 2.023 132 E HA -0.251 4.098 4.350 -0.000 0.000 0.196 132 E C 1.616 178.188 176.600 -0.046 0.000 1.003 132 E CA 1.601 57.987 56.400 -0.023 0.000 0.809 132 E CB -0.249 29.439 29.700 -0.021 0.000 0.755 132 E HN 0.617 nan 8.360 nan 0.000 0.449 133 D N 0.412 120.765 120.400 -0.077 0.000 2.149 133 D HA -0.207 4.433 4.640 -0.000 0.000 0.194 133 D C 1.926 178.145 176.300 -0.135 0.000 1.001 133 D CA 1.040 54.980 54.000 -0.102 0.000 0.849 133 D CB -0.242 40.505 40.800 -0.088 0.000 0.939 133 D HN 0.250 nan 8.370 nan 0.000 0.449 134 I N 0.098 120.521 120.570 -0.245 0.000 2.235 134 I HA -0.109 4.061 4.170 -0.000 0.000 0.241 134 I C 2.403 178.539 176.117 0.032 0.000 1.085 134 I CA 0.699 61.797 61.300 -0.337 0.000 1.378 134 I CB -1.138 36.434 38.000 -0.712 0.000 1.076 134 I HN 0.030 nan 8.210 nan 0.000 0.415 135 L N 0.585 121.814 121.223 0.010 0.000 2.599 135 L HA -0.036 4.304 4.340 -0.000 0.000 0.230 135 L C 1.473 178.419 176.870 0.126 0.000 1.141 135 L CA 0.802 55.717 54.840 0.124 0.000 0.877 135 L CB -0.490 41.652 42.059 0.137 0.000 1.009 135 L HN 0.371 nan 8.230 nan 0.000 0.447 136 T N -4.016 110.591 114.554 0.088 0.000 3.091 136 T HA 0.178 4.527 4.350 -0.000 0.000 0.277 136 T C 0.439 175.167 174.700 0.047 0.000 0.996 136 T CA -0.184 61.951 62.100 0.058 0.000 0.897 136 T CB -0.363 68.523 68.868 0.031 0.000 1.109 136 T HN 0.003 nan 8.240 nan 0.000 0.534 137 V N 0.635 120.596 119.914 0.078 0.000 2.694 137 V HA 0.219 4.339 4.120 -0.000 0.000 0.306 137 V C -1.147 174.948 176.094 0.002 0.000 1.054 137 V CA -1.145 61.180 62.300 0.041 0.000 1.161 137 V CB 0.470 32.335 31.823 0.070 0.000 0.916 137 V HN -0.035 nan 8.190 nan 0.000 0.490 138 P HA -0.224 nan 4.420 nan 0.000 0.218 138 P C 1.599 178.876 177.300 -0.038 0.000 1.152 138 P CA 2.584 65.672 63.100 -0.020 0.000 0.857 138 P CB -0.077 31.611 31.700 -0.020 0.000 0.787 139 A N -1.442 121.339 122.820 -0.066 0.000 2.076 139 A HA -0.104 4.216 4.320 -0.000 0.000 0.220 139 A C 1.146 178.658 177.584 -0.119 0.000 1.160 139 A CA 0.931 52.906 52.037 -0.104 0.000 0.653 139 A CB -1.273 17.628 19.000 -0.166 0.000 0.801 139 A HN 0.177 nan 8.150 nan 0.000 0.455 140 L N 0.676 121.841 121.223 -0.095 0.000 2.292 140 L HA 0.335 4.675 4.340 -0.000 0.000 0.284 140 L C -2.190 174.660 176.870 -0.034 0.000 1.065 140 L CA -2.184 52.610 54.840 -0.076 0.000 0.806 140 L CB 0.949 42.991 42.059 -0.029 0.000 1.175 140 L HN -0.019 nan 8.230 nan 0.000 0.431 141 P HA -0.021 nan 4.420 nan 0.000 0.271 141 P C 0.216 177.521 177.300 0.007 0.000 1.238 141 P CA -0.075 63.021 63.100 -0.006 0.000 0.794 141 P CB 0.638 32.340 31.700 0.004 0.000 0.959 142 A N 1.401 124.227 122.820 0.010 0.000 1.865 142 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 142 A C 2.273 179.867 177.584 0.017 0.000 1.191 142 A CA 2.690 54.735 52.037 0.012 0.000 0.623 142 A CB -2.012 16.993 19.000 0.009 0.000 0.826 142 A HN 0.643 nan 8.150 nan 0.000 0.444 143 S N -0.145 115.566 115.700 0.017 0.000 2.392 143 S HA -0.203 4.267 4.470 -0.000 0.000 0.232 143 S C 1.691 176.307 174.600 0.028 0.000 1.041 143 S CA 1.975 60.186 58.200 0.019 0.000 1.026 143 S CB -1.193 62.022 63.200 0.025 0.000 0.845 143 S HN 0.463 nan 8.310 nan 0.000 0.465 144 V N 1.643 121.580 119.914 0.039 0.000 2.446 144 V HA -0.082 4.038 4.120 -0.000 0.000 0.244 144 V C 2.855 179.005 176.094 0.093 0.000 1.039 144 V CA 1.422 63.763 62.300 0.069 0.000 1.045 144 V CB -1.141 30.718 31.823 0.061 0.000 0.681 144 V HN 0.462 nan 8.190 nan 0.000 0.459 145 Q N 0.953 120.794 119.800 0.068 0.000 2.050 145 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 145 Q C 2.484 178.521 176.000 0.063 0.000 0.980 145 Q CA 1.744 57.592 55.803 0.074 0.000 0.840 145 Q CB -0.588 28.177 28.738 0.046 0.000 0.898 145 Q HN 0.627 nan 8.270 nan 0.000 0.424 146 A N 1.601 124.441 122.820 0.033 0.000 2.117 146 A HA -0.254 4.066 4.320 -0.000 0.000 0.224 146 A C 1.896 179.471 177.584 -0.016 0.000 1.167 146 A CA 1.490 53.531 52.037 0.006 0.000 0.664 146 A CB -0.381 18.616 19.000 -0.006 0.000 0.811 146 A HN 0.185 nan 8.150 nan 0.000 0.470 147 R N -1.284 119.218 120.500 0.004 0.000 2.246 147 R HA 0.091 4.431 4.340 -0.000 0.000 0.199 147 R C 1.839 178.084 176.300 -0.091 0.000 0.984 147 R CA 0.739 56.773 56.100 -0.109 0.000 1.015 147 R CB -1.270 28.988 30.300 -0.070 0.000 0.930 147 R HN 0.552 nan 8.270 nan 0.000 0.475 148 L N 2.819 124.136 121.223 0.155 0.000 2.051 148 L HA -0.253 4.087 4.340 -0.000 0.000 0.214 148 L C 2.252 179.188 176.870 0.109 0.000 1.076 148 L CA 2.033 57.029 54.840 0.259 0.000 0.758 148 L CB -0.422 41.732 42.059 0.158 0.000 0.890 148 L HN 0.191 nan 8.230 nan 0.000 0.433 149 K N -1.716 118.686 120.400 0.004 0.000 2.147 149 K HA -0.169 4.150 4.320 -0.000 0.000 0.205 149 K C 1.523 178.069 176.600 -0.090 0.000 1.049 149 K CA 1.608 57.876 56.287 -0.032 0.000 0.936 149 K CB -0.659 31.819 32.500 -0.038 0.000 0.722 149 K HN 0.355 nan 8.250 nan 0.000 0.446 150 D N 0.669 120.943 120.400 -0.210 0.000 2.144 150 D HA -0.091 4.548 4.640 -0.000 0.000 0.200 150 D C 1.865 177.993 176.300 -0.287 0.000 0.978 150 D CA 1.040 54.857 54.000 -0.305 0.000 0.833 150 D CB -0.254 40.258 40.800 -0.480 0.000 0.961 150 D HN 0.209 nan 8.370 nan 0.000 0.470 151 F N 1.079 120.971 119.950 -0.097 0.000 2.163 151 F HA 0.007 4.534 4.527 -0.000 0.000 0.297 151 F C 2.509 178.210 175.800 -0.164 0.000 1.094 151 F CA 0.395 58.277 58.000 -0.196 0.000 1.290 151 F CB -0.816 38.055 39.000 -0.214 0.000 1.017 151 F HN -0.106 nan 8.300 nan 0.000 0.483 152 L N -0.336 120.943 121.223 0.094 0.000 2.046 152 L HA -0.227 4.112 4.340 -0.000 0.000 0.208 152 L C 2.725 179.600 176.870 0.009 0.000 1.077 152 L CA 1.254 56.113 54.840 0.032 0.000 0.747 152 L CB -1.169 40.902 42.059 0.020 0.000 0.896 152 L HN 0.177 nan 8.230 nan 0.000 0.432 153 A N 0.267 123.079 122.820 -0.013 0.000 1.917 153 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 153 A C 2.127 179.704 177.584 -0.012 0.000 1.182 153 A CA 1.521 53.545 52.037 -0.022 0.000 0.633 153 A CB -0.721 18.249 19.000 -0.049 0.000 0.819 153 A HN 0.419 nan 8.150 nan 0.000 0.448 154 L N -0.969 120.242 121.223 -0.020 0.000 2.610 154 L HA 0.130 4.470 4.340 -0.000 0.000 0.232 154 L C 1.474 178.360 176.870 0.026 0.000 1.149 154 L CA 0.456 55.295 54.840 -0.002 0.000 0.872 154 L CB -0.453 41.597 42.059 -0.015 0.000 0.992 154 L HN 0.628 nan 8.230 nan 0.000 0.447 155 G N 0.924 109.741 108.800 0.029 0.000 2.248 155 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.263 155 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.263 155 G C 0.030 174.959 174.900 0.049 0.000 1.082 155 G CA -0.278 44.864 45.100 0.071 0.000 0.863 155 G HN 0.278 nan 8.290 nan 0.000 0.495 156 L N 0.094 121.294 121.223 -0.039 0.000 2.719 156 L HA 0.515 4.855 4.340 -0.000 0.000 0.236 156 L C 1.848 178.705 176.870 -0.022 0.000 1.221 156 L CA -0.016 54.736 54.840 -0.147 0.000 1.048 156 L CB 0.501 42.156 42.059 -0.674 0.000 1.364 156 L HN 0.315 nan 8.230 nan 0.000 0.447 157 A N -0.024 122.769 122.820 -0.046 0.000 1.969 157 A HA -0.065 4.254 4.320 -0.000 0.000 0.218 157 A C 0.498 177.852 177.584 -0.383 0.000 1.169 157 A CA 1.077 52.929 52.037 -0.309 0.000 0.635 157 A CB -0.358 18.245 19.000 -0.662 0.000 0.810 157 A HN 0.600 nan 8.150 nan 0.000 0.445 158 H N -1.801 117.375 119.070 0.176 0.000 2.547 158 H HA 0.552 5.108 4.556 -0.000 0.000 0.342 158 H C -0.932 174.378 175.328 -0.029 0.000 1.048 158 H CA -0.819 55.253 56.048 0.038 0.000 1.204 158 H CB 1.910 31.679 29.762 0.012 0.000 1.493 158 H HN 0.038 nan 8.280 nan 0.000 0.511 159 V N 3.338 123.153 119.914 -0.164 0.000 2.612 159 V HA 0.358 4.478 4.120 -0.000 0.000 0.301 159 V C 0.790 176.685 176.094 -0.331 0.000 1.046 159 V CA -0.630 61.419 62.300 -0.420 0.000 0.946 159 V CB 2.000 33.411 31.823 -0.686 0.000 1.003 159 V HN 0.856 nan 8.190 nan 0.000 0.459 160 R N 1.267 121.574 120.500 -0.321 0.000 2.276 160 R HA 0.430 4.770 4.340 -0.000 0.000 0.195 160 R C -0.560 175.260 176.300 -0.800 0.000 0.908 160 R CA 0.396 56.154 56.100 -0.569 0.000 1.083 160 R CB 0.609 30.490 30.300 -0.699 0.000 1.182 160 R HN 0.635 nan 8.270 nan 0.000 0.608 161 F N -0.718 119.249 119.950 0.028 0.000 2.650 161 F HA 0.764 5.290 4.527 -0.000 0.000 0.320 161 F C -0.602 175.196 175.800 -0.003 0.000 1.091 161 F CA -1.434 56.545 58.000 -0.036 0.000 0.962 161 F CB 1.756 40.644 39.000 -0.187 0.000 1.363 161 F HN -0.205 nan 8.300 nan 0.000 0.482 162 A N 0.465 123.331 122.820 0.075 0.000 2.547 162 A HA 0.867 5.187 4.320 -0.000 0.000 0.297 162 A C -1.812 175.636 177.584 -0.226 0.000 1.056 162 A CA -0.569 51.400 52.037 -0.113 0.000 0.688 162 A CB 1.358 20.093 19.000 -0.442 0.000 1.282 162 A HN 1.328 nan 8.150 nan 0.000 0.400 163 A N 1.779 124.414 122.820 -0.309 0.000 2.409 163 A HA 0.593 4.913 4.320 -0.000 0.000 0.300 163 A C -0.496 176.875 177.584 -0.354 0.000 1.273 163 A CA -0.387 51.281 52.037 -0.615 0.000 0.774 163 A CB 0.395 18.606 19.000 -1.315 0.000 1.144 163 A HN 1.358 nan 8.150 nan 0.000 0.472 164 V N 2.894 122.612 119.914 -0.327 0.000 2.450 164 V HA 0.045 4.165 4.120 -0.000 0.000 0.281 164 V C 0.294 176.004 176.094 -0.640 0.000 1.019 164 V CA 0.081 62.076 62.300 -0.507 0.000 1.062 164 V CB 0.507 31.837 31.823 -0.822 0.000 0.979 164 V HN 0.851 nan 8.190 nan 0.000 0.477 165 D N 4.087 124.243 120.400 -0.408 0.000 2.295 165 D HA 0.153 4.793 4.640 -0.000 0.000 0.248 165 D C 0.455 176.610 176.300 -0.242 0.000 1.154 165 D CA -0.252 53.608 54.000 -0.234 0.000 0.857 165 D CB 0.832 41.634 40.800 0.002 0.000 1.117 165 D HN 0.519 nan 8.370 nan 0.000 0.468 166 W N 3.007 124.260 121.300 -0.078 0.000 2.518 166 W HA -0.015 4.645 4.660 -0.000 0.000 0.273 166 W C 1.961 178.489 176.519 0.015 0.000 1.247 166 W CA -0.208 57.030 57.345 -0.177 0.000 1.288 166 W CB 0.185 29.482 29.460 -0.273 0.000 1.107 166 W HN 0.376 nan 8.180 nan 0.000 0.586 167 R N -0.720 119.912 120.500 0.220 0.000 2.062 167 R HA -0.038 4.302 4.340 -0.000 0.000 0.226 167 R C 1.229 177.631 176.300 0.170 0.000 1.125 167 R CA 1.367 57.517 56.100 0.084 0.000 0.966 167 R CB -1.039 29.072 30.300 -0.316 0.000 0.861 167 R HN 0.246 nan 8.270 nan 0.000 0.433 168 H N -0.745 118.510 119.070 0.307 0.000 2.529 168 H HA 0.189 4.745 4.556 -0.000 0.000 0.277 168 H C -0.557 174.972 175.328 0.335 0.000 1.004 168 H CA -0.205 55.999 56.048 0.261 0.000 1.167 168 H CB -0.108 29.735 29.762 0.136 0.000 1.445 168 H HN 0.221 nan 8.280 nan 0.000 0.554 169 H N 0.065 119.249 119.070 0.190 0.000 2.592 169 H HA -0.160 4.396 4.556 -0.000 0.000 0.323 169 H C -0.346 174.996 175.328 0.024 0.000 1.117 169 H CA 0.404 56.522 56.048 0.117 0.000 1.120 169 H CB -1.752 28.123 29.762 0.189 0.000 1.561 169 H HN 0.523 nan 8.280 nan 0.000 0.409 170 S N -1.806 113.935 115.700 0.068 0.000 2.596 170 S HA 0.941 5.411 4.470 -0.000 0.000 0.270 170 S C -0.557 174.008 174.600 -0.058 0.000 1.155 170 S CA -0.563 57.647 58.200 0.018 0.000 0.827 170 S CB 2.819 66.059 63.200 0.068 0.000 1.130 170 S HN 0.931 nan 8.310 nan 0.000 0.467 171 A N 1.290 124.093 122.820 -0.027 0.000 2.435 171 A HA 0.817 5.137 4.320 -0.000 0.000 0.304 171 A C -1.198 176.373 177.584 -0.021 0.000 1.064 171 A CA -0.941 51.088 52.037 -0.013 0.000 0.727 171 A CB 1.122 20.210 19.000 0.145 0.000 1.284 171 A HN 0.748 nan 8.150 nan 0.000 0.415 172 N N 1.009 119.657 118.700 -0.086 0.000 2.424 172 N HA 0.472 5.212 4.740 -0.000 0.000 0.271 172 N C -1.109 174.282 175.510 -0.199 0.000 0.985 172 N CA -0.188 52.764 53.050 -0.163 0.000 0.921 172 N CB 1.940 40.313 38.487 -0.190 0.000 1.149 172 N HN 0.346 nan 8.380 nan 0.000 0.492 173 V N 2.595 122.343 119.914 -0.276 0.000 2.384 173 V HA 0.331 4.451 4.120 -0.000 0.000 0.287 173 V C -0.754 175.048 176.094 -0.487 0.000 1.020 173 V CA -0.790 61.272 62.300 -0.397 0.000 0.850 173 V CB 0.282 31.775 31.823 -0.550 0.000 0.987 173 V HN 0.456 nan 8.190 nan 0.000 0.436 174 Y N 4.633 124.746 120.300 -0.310 0.000 2.404 174 Y HA 0.595 5.145 4.550 -0.000 0.000 0.344 174 Y C 0.012 175.781 175.900 -0.218 0.000 0.970 174 Y CA -0.355 57.715 58.100 -0.050 0.000 1.180 174 Y CB 0.729 39.349 38.460 0.266 0.000 1.138 174 Y HN 0.525 nan 8.280 nan 0.000 0.510 175 F N 2.211 122.229 119.950 0.113 0.000 2.410 175 F HA 0.660 5.187 4.527 -0.000 0.000 0.324 175 F C 0.219 176.103 175.800 0.139 0.000 1.093 175 F CA -1.025 57.012 58.000 0.062 0.000 1.028 175 F CB 1.312 40.314 39.000 0.003 0.000 1.309 175 F HN 0.225 nan 8.300 nan 0.000 0.499 176 R N 0.190 120.874 120.500 0.308 0.000 2.532 176 R HA 0.628 4.968 4.340 -0.000 0.000 0.297 176 R C -0.929 175.365 176.300 -0.010 0.000 0.984 176 R CA -0.522 55.665 56.100 0.145 0.000 0.884 176 R CB 1.507 31.883 30.300 0.127 0.000 1.182 176 R HN 0.808 nan 8.270 nan 0.000 0.442 177 G N 2.509 111.030 108.800 -0.466 0.000 2.389 177 G HA2 0.190 4.150 3.960 -0.000 0.000 0.317 177 G HA3 0.190 4.150 3.960 -0.000 0.000 0.317 177 G C -1.003 173.566 174.900 -0.552 0.000 1.137 177 G CA -0.700 43.986 45.100 -0.690 0.000 0.870 177 G HN 0.534 nan 8.290 nan 0.000 0.496 178 K N 1.880 122.098 120.400 -0.304 0.000 2.110 178 K HA 0.212 4.532 4.320 -0.000 0.000 0.260 178 K C 0.943 177.478 176.600 -0.108 0.000 1.126 178 K CA -0.206 55.938 56.287 -0.239 0.000 1.005 178 K CB -0.347 31.907 32.500 -0.409 0.000 1.336 178 K HN 0.509 nan 8.250 nan 0.000 0.369 179 G N 3.951 112.726 108.800 -0.042 0.000 2.494 179 G HA2 0.257 4.217 3.960 -0.000 0.000 0.270 179 G HA3 0.257 4.217 3.960 -0.000 0.000 0.270 179 G C -2.339 172.610 174.900 0.082 0.000 1.423 179 G CA -0.845 44.374 45.100 0.198 0.000 1.055 179 G HN 0.451 nan 8.290 nan 0.000 0.536 180 P HA 0.228 nan 4.420 nan 0.000 0.275 180 P C -0.840 176.548 177.300 0.146 0.000 1.266 180 P CA -0.586 62.590 63.100 0.126 0.000 0.793 180 P CB 0.935 32.660 31.700 0.043 0.000 1.074 181 L N 2.080 123.337 121.223 0.057 0.000 2.261 181 L HA 0.259 4.599 4.340 -0.000 0.000 0.289 181 L C -0.076 176.718 176.870 -0.126 0.000 1.059 181 L CA -0.162 54.592 54.840 -0.143 0.000 0.816 181 L CB -0.751 41.030 42.059 -0.463 0.000 1.191 181 L HN 0.350 nan 8.230 nan 0.000 0.431 182 D N 1.240 121.593 120.400 -0.079 0.000 2.387 182 D HA 0.230 4.870 4.640 -0.000 0.000 0.251 182 D C 1.009 177.253 176.300 -0.093 0.000 1.141 182 D CA -0.353 53.602 54.000 -0.076 0.000 0.987 182 D CB 0.534 41.311 40.800 -0.038 0.000 1.116 182 D HN 0.493 nan 8.370 nan 0.000 0.491 183 T N -0.165 114.327 114.554 -0.104 0.000 2.680 183 T HA -0.195 4.155 4.350 -0.000 0.000 0.268 183 T C 1.720 176.415 174.700 -0.008 0.000 1.033 183 T CA 1.293 63.332 62.100 -0.100 0.000 1.152 183 T CB -0.272 68.540 68.868 -0.094 0.000 0.859 183 T HN 0.290 nan 8.240 nan 0.000 0.452 184 V N 0.696 120.604 119.914 -0.011 0.000 2.379 184 V HA -0.090 4.030 4.120 -0.000 0.000 0.243 184 V C 2.613 178.717 176.094 0.016 0.000 1.035 184 V CA 1.632 63.934 62.300 0.004 0.000 1.035 184 V CB -0.424 31.395 31.823 -0.007 0.000 0.673 184 V HN 0.341 nan 8.190 nan 0.000 0.457 185 Q N 0.028 119.836 119.800 0.013 0.000 2.096 185 Q HA -0.250 4.090 4.340 -0.000 0.000 0.204 185 Q C 1.920 177.929 176.000 0.015 0.000 0.982 185 Q CA 2.365 58.179 55.803 0.019 0.000 0.850 185 Q CB -0.700 28.056 28.738 0.030 0.000 0.901 185 Q HN 0.601 nan 8.270 nan 0.000 0.422 186 F N 0.334 120.178 119.950 -0.175 0.000 2.069 186 F HA -0.198 4.328 4.527 -0.000 0.000 0.298 186 F C 1.984 177.736 175.800 -0.080 0.000 1.113 186 F CA 2.022 59.898 58.000 -0.206 0.000 1.214 186 F CB -0.866 37.894 39.000 -0.399 0.000 0.978 186 F HN 0.150 nan 8.300 nan 0.000 0.474 187 A N 0.851 123.728 122.820 0.095 0.000 1.892 187 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 187 A C 2.378 179.919 177.584 -0.072 0.000 1.188 187 A CA 1.993 54.027 52.037 -0.006 0.000 0.631 187 A CB -0.881 18.135 19.000 0.027 0.000 0.822 187 A HN 0.501 nan 8.150 nan 0.000 0.447 188 R N -0.837 119.636 120.500 -0.045 0.000 2.083 188 R HA -0.097 4.243 4.340 -0.000 0.000 0.237 188 R C 2.093 178.355 176.300 -0.062 0.000 1.137 188 R CA 1.744 57.819 56.100 -0.042 0.000 0.951 188 R CB -0.524 29.763 30.300 -0.022 0.000 0.851 188 R HN 0.614 nan 8.270 nan 0.000 0.434 189 I N -0.345 120.181 120.570 -0.074 0.000 2.202 189 I HA -0.297 3.873 4.170 -0.000 0.000 0.242 189 I C 2.727 178.761 176.117 -0.139 0.000 1.091 189 I CA 1.147 62.404 61.300 -0.070 0.000 1.368 189 I CB -0.530 37.482 38.000 0.020 0.000 1.058 189 I HN 0.293 nan 8.210 nan 0.000 0.410 190 H N 1.722 120.568 119.070 -0.374 0.000 2.387 190 H HA -0.175 4.381 4.556 -0.000 0.000 0.299 190 H C 2.150 177.346 175.328 -0.221 0.000 1.099 190 H CA 1.704 57.509 56.048 -0.404 0.000 1.315 190 H CB 0.144 29.482 29.762 -0.707 0.000 1.380 190 H HN 0.340 nan 8.280 nan 0.000 0.513 191 A N 1.189 124.001 122.820 -0.013 0.000 1.986 191 A HA -0.153 4.166 4.320 -0.000 0.000 0.220 191 A C 2.786 180.321 177.584 -0.082 0.000 1.171 191 A CA 1.524 53.554 52.037 -0.012 0.000 0.640 191 A CB -0.858 18.128 19.000 -0.023 0.000 0.811 191 A HN 0.472 nan 8.150 nan 0.000 0.451 192 L N 0.325 121.478 121.223 -0.117 0.000 2.291 192 L HA -0.120 4.220 4.340 -0.000 0.000 0.214 192 L C 2.817 179.616 176.870 -0.119 0.000 1.120 192 L CA 1.203 55.975 54.840 -0.114 0.000 0.799 192 L CB -0.481 41.517 42.059 -0.101 0.000 0.925 192 L HN 0.575 nan 8.230 nan 0.000 0.446 193 S N -0.204 115.388 115.700 -0.181 0.000 2.423 193 S HA -0.037 4.433 4.470 -0.000 0.000 0.231 193 S C 1.835 176.359 174.600 -0.126 0.000 1.014 193 S CA 0.729 58.824 58.200 -0.176 0.000 0.965 193 S CB -0.315 62.711 63.200 -0.289 0.000 0.785 193 S HN 0.532 nan 8.310 nan 0.000 0.495 194 G N 0.949 109.679 108.800 -0.117 0.000 2.184 194 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.264 194 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.264 194 G C 0.266 175.141 174.900 -0.041 0.000 0.975 194 G CA 0.579 45.642 45.100 -0.060 0.000 0.642 194 G HN 1.131 nan 8.290 nan 0.000 0.536 195 S N 0.061 115.701 115.700 -0.101 0.000 2.569 195 S HA 0.440 4.910 4.470 -0.000 0.000 0.274 195 S C 0.991 175.678 174.600 0.144 0.000 1.353 195 S CA 1.046 59.240 58.200 -0.010 0.000 1.023 195 S CB 0.369 63.514 63.200 -0.093 0.000 0.876 195 S HN 0.657 nan 8.310 nan 0.000 0.540 196 T N 5.774 120.424 114.554 0.160 0.000 2.902 196 T HA 0.242 4.592 4.350 -0.000 0.000 0.301 196 T C -2.320 172.515 174.700 0.225 0.000 1.012 196 T CA -0.400 61.793 62.100 0.156 0.000 1.151 196 T CB 0.317 69.246 68.868 0.103 0.000 0.946 196 T HN 0.532 nan 8.240 nan 0.000 0.542 197 P HA 0.137 nan 4.420 nan 0.000 0.265 197 P C -2.260 174.966 177.300 -0.123 0.000 1.187 197 P CA -0.829 62.178 63.100 -0.156 0.000 0.766 197 P CB -0.136 31.505 31.700 -0.099 0.000 0.820 198 P HA 0.375 nan 4.420 nan 0.000 0.284 198 P C -1.059 176.174 177.300 -0.111 0.000 1.287 198 P CA -0.775 62.257 63.100 -0.112 0.000 0.824 198 P CB 0.736 32.350 31.700 -0.144 0.000 1.180 199 A N 0.161 122.932 122.820 -0.082 0.000 2.351 199 A HA 0.466 4.786 4.320 -0.000 0.000 0.257 199 A C 1.657 179.189 177.584 -0.087 0.000 1.087 199 A CA 0.267 52.286 52.037 -0.031 0.000 0.798 199 A CB -0.582 18.479 19.000 0.101 0.000 1.033 199 A HN 0.584 nan 8.150 nan 0.000 0.488 200 A N 1.098 123.914 122.820 -0.006 0.000 1.909 200 A HA -0.301 4.019 4.320 -0.000 0.000 0.221 200 A C 1.889 179.427 177.584 -0.076 0.000 1.223 200 A CA 2.541 54.551 52.037 -0.046 0.000 0.658 200 A CB -1.342 17.659 19.000 0.001 0.000 0.831 200 A HN 1.196 nan 8.150 nan 0.000 0.462 201 H N -1.235 117.761 119.070 -0.123 0.000 2.428 201 H HA 0.020 4.576 4.556 -0.000 0.000 0.296 201 H C 1.995 177.231 175.328 -0.152 0.000 1.062 201 H CA 1.424 57.401 56.048 -0.118 0.000 1.350 201 H CB -1.509 28.217 29.762 -0.061 0.000 1.403 201 H HN 0.234 nan 8.280 nan 0.000 0.533 202 V N 1.582 121.097 119.914 -0.666 0.000 2.278 202 V HA -0.271 3.849 4.120 -0.000 0.000 0.251 202 V C 3.031 178.828 176.094 -0.496 0.000 1.062 202 V CA 1.882 63.895 62.300 -0.477 0.000 1.038 202 V CB -0.711 30.902 31.823 -0.350 0.000 0.646 202 V HN 0.302 nan 8.190 nan 0.000 0.447 203 V N -0.462 119.101 119.914 -0.586 0.000 2.379 203 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 203 V C 2.331 178.013 176.094 -0.685 0.000 1.044 203 V CA 1.884 63.620 62.300 -0.940 0.000 1.036 203 V CB -0.712 30.540 31.823 -0.951 0.000 0.664 203 V HN 0.598 nan 8.190 nan 0.000 0.453 204 E N 0.223 120.180 120.200 -0.405 0.000 2.023 204 E HA -0.281 4.068 4.350 -0.000 0.000 0.196 204 E C 2.274 178.738 176.600 -0.226 0.000 1.003 204 E CA 1.643 57.890 56.400 -0.255 0.000 0.809 204 E CB -0.190 29.436 29.700 -0.123 0.000 0.755 204 E HN 0.664 nan 8.360 nan 0.000 0.449 205 E N 0.439 120.519 120.200 -0.199 0.000 2.048 205 E HA -0.241 4.109 4.350 -0.000 0.000 0.202 205 E C 2.183 178.624 176.600 -0.264 0.000 1.021 205 E CA 1.700 58.026 56.400 -0.123 0.000 0.825 205 E CB 0.017 29.654 29.700 -0.105 0.000 0.756 205 E HN 0.035 nan 8.360 nan 0.000 0.454 206 V N 1.342 120.847 119.914 -0.681 0.000 2.282 206 V HA -0.314 3.806 4.120 -0.000 0.000 0.249 206 V C 2.476 178.324 176.094 -0.409 0.000 1.057 206 V CA 1.823 63.581 62.300 -0.904 0.000 1.032 206 V CB -0.519 30.699 31.823 -1.010 0.000 0.645 206 V HN 0.371 nan 8.190 nan 0.000 0.447 207 L N -0.115 120.867 121.223 -0.403 0.000 2.042 207 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 207 L C 2.763 179.576 176.870 -0.095 0.000 1.076 207 L CA 1.617 56.298 54.840 -0.265 0.000 0.749 207 L CB -0.928 40.950 42.059 -0.302 0.000 0.893 207 L HN 0.410 nan 8.230 nan 0.000 0.432 208 A N -0.658 122.133 122.820 -0.048 0.000 1.986 208 A HA -0.250 4.070 4.320 -0.000 0.000 0.220 208 A C 1.688 179.275 177.584 0.006 0.000 1.171 208 A CA 1.663 53.698 52.037 -0.004 0.000 0.640 208 A CB -0.749 18.276 19.000 0.043 0.000 0.811 208 A HN 0.473 nan 8.150 nan 0.000 0.451 209 Y N -1.232 119.098 120.300 0.050 0.000 2.493 209 Y HA 0.292 4.841 4.550 -0.000 0.000 0.275 209 Y C 0.561 176.603 175.900 0.236 0.000 1.183 209 Y CA -0.159 58.065 58.100 0.206 0.000 1.258 209 Y CB 0.144 38.759 38.460 0.258 0.000 1.108 209 Y HN 0.137 nan 8.280 nan 0.000 0.521 210 M N 1.068 120.805 119.600 0.229 0.000 2.264 210 M HA 0.349 4.829 4.480 -0.000 0.000 0.352 210 M C -2.441 173.984 176.300 0.208 0.000 1.173 210 M CA -2.558 52.884 55.300 0.236 0.000 1.075 210 M CB 0.664 33.342 32.600 0.129 0.000 1.621 210 M HN -0.093 nan 8.290 nan 0.000 0.457 211 P HA 0.104 nan 4.420 nan 0.000 0.271 211 P C 0.698 178.076 177.300 0.130 0.000 1.216 211 P CA -0.082 63.115 63.100 0.163 0.000 0.776 211 P CB 0.689 32.526 31.700 0.230 0.000 0.881 212 E N 1.475 121.681 120.200 0.010 0.000 2.086 212 E HA -0.244 4.106 4.350 -0.000 0.000 0.205 212 E C -0.263 176.376 176.600 0.065 0.000 1.027 212 E CA 1.421 57.828 56.400 0.011 0.000 0.830 212 E CB 0.000 29.653 29.700 -0.080 0.000 0.751 212 E HN 0.455 nan 8.360 nan 0.000 0.456 213 D N -0.082 120.294 120.400 -0.039 0.000 2.412 213 D HA 0.138 4.777 4.640 -0.000 0.000 0.224 213 D C -0.937 175.445 176.300 0.138 0.000 1.093 213 D CA -0.183 53.802 54.000 -0.025 0.000 0.850 213 D CB 0.619 41.376 40.800 -0.071 0.000 1.046 213 D HN 0.181 nan 8.370 nan 0.000 0.507 214 Y N -0.326 120.106 120.300 0.221 0.000 2.387 214 Y HA 0.558 5.108 4.550 -0.000 0.000 0.330 214 Y C 0.046 176.161 175.900 0.358 0.000 1.133 214 Y CA -1.814 56.465 58.100 0.299 0.000 1.152 214 Y CB 0.677 39.300 38.460 0.272 0.000 1.215 214 Y HN 0.322 nan 8.280 nan 0.000 0.466 215 C N 4.124 123.787 119.300 0.606 0.000 2.351 215 C HA 0.889 5.348 4.460 -0.000 0.000 0.326 215 C C -0.834 174.563 174.990 0.679 0.000 1.272 215 C CA -0.806 58.558 59.018 0.576 0.000 1.650 215 C CB 0.401 28.453 27.740 0.520 0.000 2.257 215 C HN 0.994 nan 8.230 nan 0.000 0.505 216 V N 5.106 125.352 119.914 0.554 0.000 2.686 216 V HA 0.828 4.947 4.120 -0.000 0.000 0.306 216 V C 0.029 176.215 176.094 0.152 0.000 1.065 216 V CA 0.159 62.648 62.300 0.315 0.000 0.894 216 V CB 1.852 33.828 31.823 0.257 0.000 1.004 216 V HN 1.487 nan 8.190 nan 0.000 0.424 217 A N 7.869 130.647 122.820 -0.069 0.000 2.288 217 A HA 0.840 5.159 4.320 -0.000 0.000 0.320 217 A C -0.756 176.689 177.584 -0.231 0.000 1.217 217 A CA -0.561 51.251 52.037 -0.376 0.000 0.840 217 A CB 0.545 19.203 19.000 -0.569 0.000 1.179 217 A HN 0.678 nan 8.150 nan 0.000 0.504 218 I N 2.076 122.558 120.570 -0.147 0.000 2.474 218 I HA 0.365 4.534 4.170 -0.000 0.000 0.294 218 I C -0.148 175.942 176.117 -0.046 0.000 1.005 218 I CA -0.160 61.120 61.300 -0.034 0.000 1.113 218 I CB 1.789 39.879 38.000 0.149 0.000 1.289 218 I HN 0.503 nan 8.210 nan 0.000 0.436 219 T N 7.240 121.780 114.554 -0.023 0.000 2.756 219 T HA 0.599 4.949 4.350 -0.000 0.000 0.290 219 T C -0.027 174.695 174.700 0.036 0.000 0.985 219 T CA -0.372 61.718 62.100 -0.017 0.000 0.955 219 T CB 0.977 69.821 68.868 -0.039 0.000 0.930 219 T HN 0.261 nan 8.240 nan 0.000 0.451 220 L N 2.832 124.091 121.223 0.059 0.000 2.317 220 L HA 0.471 4.811 4.340 -0.000 0.000 0.281 220 L C 0.256 177.160 176.870 0.057 0.000 1.024 220 L CA -1.034 53.858 54.840 0.085 0.000 0.810 220 L CB 1.602 43.741 42.059 0.133 0.000 1.240 220 L HN 0.576 nan 8.230 nan 0.000 0.427 221 D N 1.968 122.404 120.400 0.059 0.000 2.343 221 D HA 0.124 4.764 4.640 -0.000 0.000 0.255 221 D C 0.861 177.187 176.300 0.043 0.000 1.187 221 D CA -0.119 53.923 54.000 0.070 0.000 0.875 221 D CB 0.948 41.803 40.800 0.091 0.000 1.136 221 D HN 0.431 nan 8.370 nan 0.000 0.469 222 L N 3.571 124.784 121.223 -0.018 0.000 2.610 222 L HA -0.046 4.294 4.340 -0.000 0.000 0.232 222 L C 1.372 178.113 176.870 -0.215 0.000 1.149 222 L CA 0.372 55.133 54.840 -0.133 0.000 0.872 222 L CB -0.369 41.561 42.059 -0.216 0.000 0.992 222 L HN 0.646 nan 8.230 nan 0.000 0.447 223 H N -1.656 117.433 119.070 0.032 0.000 2.334 223 H HA 0.014 4.570 4.556 -0.000 0.000 0.315 223 H C 2.434 177.771 175.328 0.014 0.000 1.056 223 H CA 1.442 57.502 56.048 0.019 0.000 1.418 223 H CB -0.201 29.570 29.762 0.016 0.000 1.464 223 H HN 0.259 nan 8.280 nan 0.000 0.587 224 S N 0.312 116.108 115.700 0.160 0.000 2.423 224 S HA 0.005 4.475 4.470 -0.000 0.000 0.231 224 S C 1.897 176.529 174.600 0.054 0.000 1.014 224 S CA 1.233 59.483 58.200 0.083 0.000 0.965 224 S CB -0.352 62.889 63.200 0.067 0.000 0.785 224 S HN 0.737 nan 8.310 nan 0.000 0.495 225 G N 1.196 110.030 108.800 0.056 0.000 2.148 225 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.254 225 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.254 225 G C -0.448 174.477 174.900 0.042 0.000 0.981 225 G CA 0.251 45.381 45.100 0.050 0.000 0.670 225 G HN 0.604 nan 8.290 nan 0.000 0.528 226 D N -0.300 120.122 120.400 0.036 0.000 2.339 226 D HA 0.398 5.038 4.640 -0.000 0.000 0.245 226 D C 0.897 177.214 176.300 0.027 0.000 1.115 226 D CA -0.136 53.875 54.000 0.018 0.000 0.917 226 D CB 0.926 41.734 40.800 0.014 0.000 1.192 226 D HN 0.209 nan 8.370 nan 0.000 0.428 227 I N 2.188 122.763 120.570 0.008 0.000 2.256 227 I HA 0.006 4.176 4.170 -0.000 0.000 0.294 227 I C 1.527 177.636 176.117 -0.014 0.000 1.127 227 I CA -0.026 61.283 61.300 0.014 0.000 1.247 227 I CB 0.313 38.318 38.000 0.008 0.000 1.460 227 I HN 0.260 nan 8.210 nan 0.000 0.511 228 E N 5.606 125.802 120.200 -0.007 0.000 2.038 228 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 228 E C 0.503 177.075 176.600 -0.046 0.000 1.000 228 E CA 1.198 57.586 56.400 -0.020 0.000 0.803 228 E CB 0.200 29.891 29.700 -0.015 0.000 0.750 228 E HN 0.614 nan 8.360 nan 0.000 0.448 229 R N -1.409 119.056 120.500 -0.057 0.000 2.733 229 R HA 0.526 4.866 4.340 -0.000 0.000 0.272 229 R C -1.288 174.945 176.300 -0.111 0.000 1.029 229 R CA -0.918 55.125 56.100 -0.095 0.000 0.888 229 R CB 1.244 31.477 30.300 -0.111 0.000 1.251 229 R HN -0.029 nan 8.270 nan 0.000 0.464 230 V N -2.597 117.228 119.914 -0.150 0.000 2.962 230 V HA 0.863 4.983 4.120 -0.000 0.000 0.313 230 V C -0.973 174.961 176.094 -0.268 0.000 1.099 230 V CA -0.896 61.274 62.300 -0.217 0.000 0.971 230 V CB 1.586 33.244 31.823 -0.275 0.000 1.028 230 V HN 0.999 nan 8.190 nan 0.000 0.430 231 C N 3.948 123.014 119.300 -0.390 0.000 2.701 231 C HA 0.809 5.269 4.460 -0.000 0.000 0.336 231 C C -1.004 173.670 174.990 -0.527 0.000 1.123 231 C CA -0.507 58.264 59.018 -0.412 0.000 1.326 231 C CB 0.687 28.202 27.740 -0.375 0.000 1.833 231 C HN 0.858 nan 8.230 nan 0.000 0.473 232 F N 4.425 124.363 119.950 -0.020 0.000 2.443 232 F HA 0.603 5.130 4.527 -0.000 0.000 0.335 232 F C -0.276 175.555 175.800 0.051 0.000 1.104 232 F CA -0.344 57.739 58.000 0.139 0.000 1.013 232 F CB 1.017 40.198 39.000 0.302 0.000 1.136 232 F HN 0.491 nan 8.300 nan 0.000 0.470 233 Y N 1.423 122.084 120.300 0.602 0.000 2.429 233 Y HA 0.682 5.232 4.550 -0.000 0.000 0.342 233 Y C -0.146 176.048 175.900 0.489 0.000 1.004 233 Y CA -1.293 57.103 58.100 0.493 0.000 1.075 233 Y CB 2.016 40.726 38.460 0.417 0.000 1.214 233 Y HN 0.606 nan 8.280 nan 0.000 0.455 234 A N 4.638 127.829 122.820 0.617 0.000 2.332 234 A HA 0.731 5.051 4.320 -0.000 0.000 0.300 234 A C -1.300 176.541 177.584 0.430 0.000 1.153 234 A CA -0.573 51.782 52.037 0.531 0.000 0.764 234 A CB 0.303 19.654 19.000 0.585 0.000 1.174 234 A HN 0.783 nan 8.150 nan 0.000 0.467 235 L N 1.725 123.189 121.223 0.401 0.000 2.360 235 L HA 0.466 4.805 4.340 -0.000 0.000 0.271 235 L C 1.012 178.162 176.870 0.468 0.000 1.057 235 L CA -0.917 54.141 54.840 0.365 0.000 0.803 235 L CB 1.269 43.466 42.059 0.231 0.000 1.207 235 L HN 0.890 nan 8.230 nan 0.000 0.445 236 K N 1.523 122.187 120.400 0.439 0.000 3.834 236 K HA -0.178 4.141 4.320 -0.000 0.000 0.276 236 K C -1.031 175.764 176.600 0.325 0.000 0.850 236 K CA -0.152 56.343 56.287 0.346 0.000 0.704 236 K CB -0.672 32.004 32.500 0.293 0.000 1.644 236 K HN 0.339 nan 8.250 nan 0.000 0.440 237 V N 3.506 123.578 119.914 0.264 0.000 2.461 237 V HA 0.243 4.363 4.120 -0.000 0.000 0.275 237 V C -1.486 174.707 176.094 0.166 0.000 1.047 237 V CA -1.211 61.203 62.300 0.190 0.000 0.955 237 V CB 1.063 32.933 31.823 0.078 0.000 0.988 237 V HN 0.450 nan 8.190 nan 0.000 0.471 238 P HA 0.281 nan 4.420 nan 0.000 0.278 238 P C 0.394 177.763 177.300 0.114 0.000 1.238 238 P CA -0.588 62.595 63.100 0.139 0.000 0.794 238 P CB 1.174 32.960 31.700 0.145 0.000 0.955 239 K N 2.003 122.457 120.400 0.090 0.000 2.089 239 K HA -0.258 4.062 4.320 -0.000 0.000 0.210 239 K C 1.645 178.294 176.600 0.082 0.000 1.048 239 K CA 2.564 58.896 56.287 0.076 0.000 0.926 239 K CB -0.612 31.922 32.500 0.058 0.000 0.714 239 K HN 0.605 nan 8.250 nan 0.000 0.448 240 N N 0.546 119.297 118.700 0.086 0.000 2.289 240 N HA -0.134 4.606 4.740 -0.000 0.000 0.184 240 N C 1.103 176.681 175.510 0.112 0.000 1.016 240 N CA 1.400 54.503 53.050 0.087 0.000 0.872 240 N CB -0.067 38.467 38.487 0.079 0.000 0.973 240 N HN 0.110 nan 8.380 nan 0.000 0.433 241 A N -0.040 122.865 122.820 0.140 0.000 2.630 241 A HA 0.394 4.714 4.320 -0.000 0.000 0.290 241 A C -0.007 177.701 177.584 0.207 0.000 1.267 241 A CA -0.625 51.523 52.037 0.185 0.000 0.950 241 A CB -0.294 18.862 19.000 0.261 0.000 1.144 241 A HN 0.185 nan 8.150 nan 0.000 0.527 242 L N 1.290 122.613 121.223 0.167 0.000 2.453 242 L HA 0.299 4.639 4.340 -0.000 0.000 0.261 242 L C -1.495 175.482 176.870 0.179 0.000 1.179 242 L CA -1.691 53.236 54.840 0.144 0.000 0.813 242 L CB 0.382 42.484 42.059 0.071 0.000 1.110 242 L HN 0.257 nan 8.230 nan 0.000 0.466 243 P HA 0.119 nan 4.420 nan 0.000 0.289 243 P C -0.974 176.367 177.300 0.068 0.000 1.299 243 P CA -0.804 62.313 63.100 0.028 0.000 0.766 243 P CB 0.450 32.010 31.700 -0.232 0.000 1.226 244 R N 0.582 121.145 120.500 0.106 0.000 2.404 244 R HA 0.229 4.568 4.340 -0.000 0.000 0.315 244 R C 0.045 176.387 176.300 0.070 0.000 1.032 244 R CA 0.292 56.450 56.100 0.096 0.000 0.992 244 R CB -1.658 28.715 30.300 0.122 0.000 0.959 244 R HN 0.463 nan 8.270 nan 0.000 0.428 245 I N 1.616 122.207 120.570 0.035 0.000 2.797 245 I HA 0.714 4.884 4.170 -0.000 0.000 0.307 245 I C -2.140 173.984 176.117 0.012 0.000 1.033 245 I CA -3.088 58.209 61.300 -0.005 0.000 1.071 245 I CB 1.913 39.894 38.000 -0.032 0.000 1.255 245 I HN 0.459 nan 8.210 nan 0.000 0.445 246 P HA 0.263 nan 4.420 nan 0.000 0.274 246 P C 0.513 177.820 177.300 0.012 0.000 1.237 246 P CA -0.459 62.647 63.100 0.009 0.000 0.793 246 P CB 0.748 32.447 31.700 -0.002 0.000 0.977 247 T N -1.117 113.447 114.554 0.017 0.000 2.867 247 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 247 T C 1.748 176.462 174.700 0.023 0.000 1.057 247 T CA 0.801 62.913 62.100 0.021 0.000 1.136 247 T CB -0.341 68.539 68.868 0.020 0.000 0.874 247 T HN 0.349 nan 8.240 nan 0.000 0.466 248 R N 0.707 121.216 120.500 0.015 0.000 2.091 248 R HA -0.067 4.272 4.340 -0.000 0.000 0.238 248 R C 2.224 178.552 176.300 0.046 0.000 1.136 248 R CA 1.383 57.493 56.100 0.018 0.000 0.959 248 R CB -0.367 29.927 30.300 -0.011 0.000 0.856 248 R HN 0.294 nan 8.270 nan 0.000 0.437 249 I N 0.874 121.460 120.570 0.026 0.000 2.315 249 I HA -0.176 3.993 4.170 -0.000 0.000 0.248 249 I C 2.521 178.707 176.117 0.116 0.000 1.117 249 I CA 1.308 62.644 61.300 0.060 0.000 1.404 249 I CB -1.407 36.585 38.000 -0.013 0.000 1.071 249 I HN 0.302 nan 8.210 nan 0.000 0.419 250 A N 0.989 123.847 122.820 0.063 0.000 1.859 250 A HA -0.289 4.031 4.320 -0.000 0.000 0.217 250 A C 2.524 180.143 177.584 0.057 0.000 1.198 250 A CA 2.200 54.270 52.037 0.054 0.000 0.629 250 A CB -0.815 18.206 19.000 0.036 0.000 0.830 250 A HN 0.313 nan 8.150 nan 0.000 0.446 251 R N -1.686 118.848 120.500 0.056 0.000 2.097 251 R HA -0.214 4.125 4.340 -0.000 0.000 0.236 251 R C 2.002 178.333 176.300 0.050 0.000 1.135 251 R CA 2.187 58.311 56.100 0.040 0.000 0.934 251 R CB -0.634 29.690 30.300 0.039 0.000 0.846 251 R HN 0.533 nan 8.270 nan 0.000 0.431 252 F N 0.972 120.892 119.950 -0.050 0.000 2.147 252 F HA -0.211 4.316 4.527 -0.000 0.000 0.301 252 F C 1.614 177.381 175.800 -0.055 0.000 1.084 252 F CA 1.620 59.582 58.000 -0.064 0.000 1.268 252 F CB -0.092 38.883 39.000 -0.042 0.000 1.009 252 F HN 0.049 nan 8.300 nan 0.000 0.486 253 L N -0.490 120.718 121.223 -0.024 0.000 2.341 253 L HA -0.056 4.284 4.340 -0.000 0.000 0.214 253 L C 2.199 179.000 176.870 -0.115 0.000 1.115 253 L CA 0.783 55.564 54.840 -0.098 0.000 0.820 253 L CB -0.514 41.572 42.059 0.044 0.000 0.944 253 L HN 0.072 nan 8.230 nan 0.000 0.452 254 E N 0.042 120.190 120.200 -0.086 0.000 2.122 254 E HA -0.077 4.273 4.350 -0.000 0.000 0.190 254 E C 2.073 178.603 176.600 -0.118 0.000 0.977 254 E CA 0.892 57.249 56.400 -0.071 0.000 0.820 254 E CB 0.111 29.791 29.700 -0.034 0.000 0.770 254 E HN 0.126 nan 8.360 nan 0.000 0.462 255 V N 0.506 120.317 119.914 -0.172 0.000 2.725 255 V HA 0.216 4.336 4.120 -0.000 0.000 0.247 255 V C 0.968 176.868 176.094 -0.325 0.000 1.058 255 V CA 0.800 62.978 62.300 -0.203 0.000 1.080 255 V CB -0.235 31.484 31.823 -0.173 0.000 0.713 255 V HN 0.280 nan 8.190 nan 0.000 0.465 256 A N 2.724 125.240 122.820 -0.506 0.000 2.362 256 A HA 0.510 4.830 4.320 -0.000 0.000 0.276 256 A C -2.355 175.001 177.584 -0.381 0.000 1.153 256 A CA -1.202 50.389 52.037 -0.744 0.000 0.813 256 A CB -0.150 18.140 19.000 -1.184 0.000 1.081 256 A HN 0.240 nan 8.150 nan 0.000 0.507 257 P HA 0.189 nan 4.420 nan 0.000 0.276 257 P C -0.415 177.025 177.300 0.232 0.000 1.230 257 P CA 0.057 63.185 63.100 0.047 0.000 0.776 257 P CB 1.407 33.173 31.700 0.110 0.000 0.888 258 S N 2.197 117.924 115.700 0.045 0.000 2.500 258 S HA 0.380 4.850 4.470 -0.000 0.000 0.301 258 S C -0.206 174.385 174.600 -0.016 0.000 1.092 258 S CA -0.478 57.741 58.200 0.033 0.000 1.030 258 S CB 0.491 63.739 63.200 0.080 0.000 1.031 258 S HN 0.487 nan 8.310 nan 0.000 0.483 259 H N 1.538 120.568 119.070 -0.067 0.000 2.785 259 H HA 0.299 4.855 4.556 -0.000 0.000 0.268 259 H C -0.730 174.545 175.328 -0.089 0.000 1.153 259 H CA -0.728 55.256 56.048 -0.106 0.000 1.111 259 H CB 0.489 30.131 29.762 -0.201 0.000 1.633 259 H HN 0.476 nan 8.280 nan 0.000 0.576 260 D N 0.784 121.207 120.400 0.037 0.000 2.372 260 D HA -0.029 4.611 4.640 -0.000 0.000 0.243 260 D C 1.481 177.783 176.300 0.004 0.000 1.121 260 D CA -0.067 53.935 54.000 0.003 0.000 0.898 260 D CB 2.057 42.849 40.800 -0.013 0.000 1.202 260 D HN -0.038 nan 8.370 nan 0.000 0.428 261 V N 1.119 121.025 119.914 -0.014 0.000 2.295 261 V HA -0.140 3.980 4.120 -0.000 0.000 0.246 261 V C 1.336 177.417 176.094 -0.022 0.000 1.049 261 V CA 2.176 64.465 62.300 -0.019 0.000 1.024 261 V CB -1.157 30.649 31.823 -0.028 0.000 0.648 261 V HN 0.678 nan 8.190 nan 0.000 0.447 262 E N 1.190 121.368 120.200 -0.036 0.000 2.014 262 E HA 0.320 4.669 4.350 -0.000 0.000 0.275 262 E C 0.052 176.634 176.600 -0.030 0.000 0.997 262 E CA -0.454 55.917 56.400 -0.048 0.000 0.804 262 E CB 0.150 29.795 29.700 -0.091 0.000 1.090 262 E HN 0.564 nan 8.360 nan 0.000 0.401 263 E N 0.602 120.798 120.200 -0.006 0.000 2.415 263 E HA 0.284 4.634 4.350 -0.000 0.000 0.262 263 E C -0.888 175.726 176.600 0.024 0.000 1.038 263 E CA -0.016 56.395 56.400 0.019 0.000 0.921 263 E CB 0.907 30.625 29.700 0.031 0.000 0.950 263 E HN 0.664 nan 8.360 nan 0.000 0.438 264 C N 5.789 125.119 119.300 0.051 0.000 2.789 264 C HA 0.358 4.818 4.460 -0.000 0.000 0.367 264 C C -1.450 173.611 174.990 0.118 0.000 1.062 264 C CA -0.879 58.186 59.018 0.078 0.000 1.297 264 C CB -0.505 27.270 27.740 0.060 0.000 1.794 264 C HN 0.661 nan 8.230 nan 0.000 0.474 265 N N 3.762 122.545 118.700 0.138 0.000 2.405 265 N HA 0.672 5.411 4.740 -0.000 0.000 0.299 265 N C -0.808 174.813 175.510 0.185 0.000 1.075 265 N CA -0.336 52.809 53.050 0.157 0.000 0.884 265 N CB 2.168 40.735 38.487 0.134 0.000 1.194 265 N HN 0.437 nan 8.380 nan 0.000 0.491 266 V N 2.166 122.196 119.914 0.194 0.000 2.628 266 V HA 0.509 4.629 4.120 -0.000 0.000 0.306 266 V C -0.287 175.914 176.094 0.178 0.000 1.045 266 V CA -0.768 61.662 62.300 0.217 0.000 0.905 266 V CB 1.902 33.858 31.823 0.222 0.000 0.997 266 V HN 0.482 nan 8.190 nan 0.000 0.436 267 I N 2.925 123.583 120.570 0.147 0.000 2.608 267 I HA 0.809 4.979 4.170 -0.000 0.000 0.295 267 I C 0.390 176.470 176.117 -0.061 0.000 1.049 267 I CA -0.360 60.893 61.300 -0.079 0.000 1.063 267 I CB 1.794 39.592 38.000 -0.338 0.000 1.248 267 I HN 0.763 nan 8.210 nan 0.000 0.424 268 G N 4.864 113.506 108.800 -0.263 0.000 2.701 268 G HA2 0.487 4.446 3.960 -0.000 0.000 0.300 268 G HA3 0.487 4.446 3.960 -0.000 0.000 0.300 268 G C -1.860 172.793 174.900 -0.412 0.000 1.410 268 G CA -0.450 44.461 45.100 -0.316 0.000 1.014 268 G HN 0.448 nan 8.290 nan 0.000 0.509 269 W N 2.591 123.772 121.300 -0.199 0.000 2.288 269 W HA 0.433 5.093 4.660 -0.000 0.000 0.325 269 W C 0.164 176.350 176.519 -0.556 0.000 1.019 269 W CA -0.756 56.388 57.345 -0.334 0.000 1.403 269 W CB 1.859 31.259 29.460 -0.100 0.000 1.226 269 W HN 0.404 nan 8.180 nan 0.000 0.391 270 S N 3.142 118.497 115.700 -0.574 0.000 2.489 270 S HA 0.513 4.983 4.470 -0.000 0.000 0.277 270 S C -0.800 173.303 174.600 -0.828 0.000 1.230 270 S CA -0.296 57.507 58.200 -0.661 0.000 1.053 270 S CB 0.154 62.788 63.200 -0.944 0.000 0.955 270 S HN 0.227 nan 8.310 nan 0.000 0.488 271 F N 2.587 122.410 119.950 -0.211 0.000 2.467 271 F HA 0.713 5.239 4.527 -0.000 0.000 0.336 271 F C 0.848 176.505 175.800 -0.238 0.000 1.123 271 F CA -0.442 57.464 58.000 -0.157 0.000 0.964 271 F CB 2.141 41.106 39.000 -0.059 0.000 1.136 271 F HN 0.657 nan 8.300 nan 0.000 0.447 272 G N 1.917 110.698 108.800 -0.032 0.000 2.698 272 G HA2 0.360 4.320 3.960 -0.000 0.000 0.293 272 G HA3 0.360 4.320 3.960 -0.000 0.000 0.293 272 G C -0.258 174.633 174.900 -0.015 0.000 1.437 272 G CA -0.987 44.075 45.100 -0.062 0.000 0.852 272 G HN 0.682 nan 8.290 nan 0.000 0.499 273 R N -0.937 119.552 120.500 -0.018 0.000 2.236 273 R HA 0.020 4.360 4.340 -0.000 0.000 0.208 273 R C 1.538 177.852 176.300 0.023 0.000 1.036 273 R CA 1.831 57.932 56.100 0.002 0.000 1.001 273 R CB -0.042 30.252 30.300 -0.010 0.000 0.896 273 R HN 0.455 nan 8.270 nan 0.000 0.464 274 S N -0.587 115.129 115.700 0.026 0.000 2.660 274 S HA 0.318 4.787 4.470 -0.000 0.000 0.227 274 S C 0.391 175.029 174.600 0.063 0.000 0.948 274 S CA -0.018 58.207 58.200 0.042 0.000 0.948 274 S CB 0.511 63.735 63.200 0.041 0.000 0.779 274 S HN 0.628 nan 8.310 nan 0.000 0.487 275 G N 0.769 109.608 108.800 0.066 0.000 2.841 275 G HA2 0.112 4.072 3.960 -0.000 0.000 0.684 275 G HA3 0.112 4.072 3.960 -0.000 0.000 0.684 275 G C -1.778 173.163 174.900 0.069 0.000 1.273 275 G CA -1.030 44.122 45.100 0.086 0.000 0.811 275 G HN 0.217 nan 8.290 nan 0.000 0.631 276 D N 0.585 121.016 120.400 0.052 0.000 2.255 276 D HA 0.656 5.296 4.640 -0.000 0.000 0.249 276 D C 0.433 176.702 176.300 -0.051 0.000 1.078 276 D CA 0.538 54.488 54.000 -0.084 0.000 0.896 276 D CB 1.110 41.925 40.800 0.026 0.000 1.194 276 D HN 0.614 nan 8.370 nan 0.000 0.429 277 Y N -1.750 118.457 120.300 -0.155 0.000 2.715 277 Y HA 0.711 5.260 4.550 -0.000 0.000 0.331 277 Y C -1.228 174.542 175.900 -0.218 0.000 1.197 277 Y CA -1.415 56.599 58.100 -0.142 0.000 1.079 277 Y CB 0.663 39.060 38.460 -0.106 0.000 1.298 277 Y HN 0.049 nan 8.280 nan 0.000 0.477 278 V N 2.059 122.006 119.914 0.054 0.000 2.409 278 V HA 0.415 4.535 4.120 -0.000 0.000 0.291 278 V C -0.383 175.676 176.094 -0.058 0.000 1.020 278 V CA -1.122 61.075 62.300 -0.172 0.000 0.848 278 V CB 1.157 32.809 31.823 -0.286 0.000 0.990 278 V HN 0.700 nan 8.190 nan 0.000 0.430 279 K N 2.732 123.087 120.400 -0.075 0.000 2.087 279 K HA 0.869 5.189 4.320 -0.000 0.000 0.255 279 K C -0.320 176.247 176.600 -0.056 0.000 0.988 279 K CA -0.398 55.895 56.287 0.009 0.000 0.915 279 K CB 1.798 34.394 32.500 0.159 0.000 1.043 279 K HN 0.823 nan 8.250 nan 0.000 0.457 280 A N 1.992 124.776 122.820 -0.060 0.000 2.488 280 A HA 0.354 4.674 4.320 -0.000 0.000 0.298 280 A C -1.306 176.343 177.584 0.109 0.000 1.044 280 A CA -0.855 51.193 52.037 0.018 0.000 0.693 280 A CB 1.086 20.092 19.000 0.009 0.000 1.272 280 A HN 0.712 nan 8.150 nan 0.000 0.402 281 E N 0.855 121.195 120.200 0.233 0.000 2.235 281 E HA 0.743 5.093 4.350 -0.000 0.000 0.265 281 E C -0.624 176.192 176.600 0.361 0.000 0.940 281 E CA -0.971 55.600 56.400 0.284 0.000 0.819 281 E CB 2.585 32.370 29.700 0.140 0.000 1.206 281 E HN 0.578 nan 8.360 nan 0.000 0.409 282 R N 0.865 121.580 120.500 0.358 0.000 2.536 282 R HA 0.170 4.510 4.340 -0.000 0.000 0.269 282 R C -1.221 175.216 176.300 0.228 0.000 1.113 282 R CA -0.357 55.900 56.100 0.261 0.000 0.948 282 R CB 1.620 32.029 30.300 0.181 0.000 1.237 282 R HN 0.742 nan 8.270 nan 0.000 0.441 283 S N 3.126 118.910 115.700 0.140 0.000 2.565 283 S HA 0.123 4.593 4.470 -0.000 0.000 0.276 283 S C 0.048 174.721 174.600 0.122 0.000 1.326 283 S CA -0.493 57.749 58.200 0.070 0.000 1.045 283 S CB 1.090 64.310 63.200 0.035 0.000 0.918 283 S HN 0.630 nan 8.310 nan 0.000 0.505 284 Y N 3.258 123.460 120.300 -0.162 0.000 2.662 284 Y HA 0.292 4.841 4.550 -0.000 0.000 0.205 284 Y C 1.219 177.052 175.900 -0.112 0.000 0.979 284 Y CA 0.841 58.833 58.100 -0.180 0.000 1.320 284 Y CB -0.433 37.730 38.460 -0.495 0.000 1.075 284 Y HN 0.856 nan 8.280 nan 0.000 0.472 285 T N -1.851 112.593 114.554 -0.183 0.000 2.893 285 T HA 0.502 4.852 4.350 -0.000 0.000 0.279 285 T C 0.832 175.492 174.700 -0.065 0.000 0.991 285 T CA -0.321 61.685 62.100 -0.157 0.000 0.950 285 T CB 0.891 69.714 68.868 -0.076 0.000 1.223 285 T HN 1.068 nan 8.240 nan 0.000 0.585 286 G N 0.318 109.085 108.800 -0.055 0.000 2.176 286 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.232 286 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.232 286 G C 0.158 175.022 174.900 -0.061 0.000 0.986 286 G CA -0.049 45.016 45.100 -0.059 0.000 0.643 286 G HN 1.250 nan 8.290 nan 0.000 0.522 287 N N -1.154 117.511 118.700 -0.058 0.000 2.522 287 N HA -0.156 4.584 4.740 -0.000 0.000 0.281 287 N C 1.065 176.525 175.510 -0.084 0.000 1.267 287 N CA 1.027 54.036 53.050 -0.068 0.000 0.675 287 N CB -0.603 37.841 38.487 -0.071 0.000 0.890 287 N HN 0.632 nan 8.380 nan 0.000 0.542 288 M N 1.325 120.887 119.600 -0.064 0.000 2.134 288 M HA -0.043 4.436 4.480 -0.000 0.000 0.262 288 M C 2.110 178.366 176.300 -0.074 0.000 1.076 288 M CA 2.066 57.335 55.300 -0.052 0.000 1.143 288 M CB -0.107 32.489 32.600 -0.007 0.000 1.346 288 M HN 0.594 nan 8.290 nan 0.000 0.421 289 A N 0.417 123.201 122.820 -0.060 0.000 1.903 289 A HA -0.278 4.041 4.320 -0.000 0.000 0.219 289 A C 2.038 179.566 177.584 -0.092 0.000 1.191 289 A CA 2.270 54.254 52.037 -0.089 0.000 0.638 289 A CB -1.189 17.676 19.000 -0.225 0.000 0.823 289 A HN 0.708 nan 8.150 nan 0.000 0.451 290 E N -0.251 119.875 120.200 -0.123 0.000 2.058 290 E HA -0.184 4.165 4.350 -0.000 0.000 0.194 290 E C 1.978 178.455 176.600 -0.206 0.000 0.997 290 E CA 1.406 57.730 56.400 -0.127 0.000 0.801 290 E CB -0.222 29.414 29.700 -0.107 0.000 0.746 290 E HN 0.681 nan 8.360 nan 0.000 0.450 291 I N 0.824 121.202 120.570 -0.320 0.000 2.361 291 I HA -0.275 3.895 4.170 -0.000 0.000 0.251 291 I C 2.413 177.941 176.117 -0.982 0.000 1.133 291 I CA 0.691 61.600 61.300 -0.652 0.000 1.413 291 I CB -0.091 37.461 38.000 -0.748 0.000 1.073 291 I HN 0.201 nan 8.210 nan 0.000 0.424 292 L N 0.070 120.955 121.223 -0.564 0.000 2.095 292 L HA -0.093 4.247 4.340 -0.000 0.000 0.204 292 L C 2.826 179.631 176.870 -0.108 0.000 1.080 292 L CA 1.026 55.640 54.840 -0.377 0.000 0.759 292 L CB -0.580 41.459 42.059 -0.033 0.000 0.914 292 L HN 0.180 nan 8.230 nan 0.000 0.439 293 A N 0.396 123.291 122.820 0.125 0.000 1.902 293 A HA -0.145 4.174 4.320 -0.000 0.000 0.217 293 A C 2.312 179.898 177.584 0.004 0.000 1.181 293 A CA 1.686 53.821 52.037 0.163 0.000 0.623 293 A CB -1.273 17.859 19.000 0.220 0.000 0.818 293 A HN 0.439 nan 8.150 nan 0.000 0.443 294 G N -2.345 106.402 108.800 -0.089 0.000 2.535 294 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.218 294 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.218 294 G C 1.007 175.944 174.900 0.061 0.000 1.122 294 G CA 0.801 45.863 45.100 -0.063 0.000 0.769 294 G HN 0.616 nan 8.290 nan 0.000 0.549 295 W N -0.384 120.790 121.300 -0.210 0.000 3.211 295 W HA 0.342 5.001 4.660 -0.000 0.000 0.292 295 W C 0.955 177.357 176.519 -0.195 0.000 1.268 295 W CA -1.134 56.045 57.345 -0.277 0.000 1.702 295 W CB -0.552 28.673 29.460 -0.392 0.000 1.092 295 W HN 0.194 nan 8.180 nan 0.000 0.643 296 N N 0.034 118.719 118.700 -0.025 0.000 2.783 296 N HA -0.164 4.575 4.740 -0.000 0.000 0.247 296 N C 0.201 175.368 175.510 -0.573 0.000 1.089 296 N CA 0.779 53.679 53.050 -0.249 0.000 0.690 296 N CB -1.288 37.104 38.487 -0.159 0.000 0.991 296 N HN -0.079 nan 8.380 nan 0.000 0.552 297 C N -0.223 118.807 119.300 -0.450 0.000 2.776 297 C HA 0.502 4.961 4.460 -0.000 0.000 0.300 297 C C 0.618 175.002 174.990 -1.009 0.000 1.462 297 C CA -0.030 58.635 59.018 -0.588 0.000 2.246 297 C CB -0.227 27.287 27.740 -0.377 0.000 2.203 297 C HN 0.350 nan 8.230 nan 0.000 0.701 298 F N -0.474 119.240 119.950 -0.393 0.000 2.574 298 F HA 0.536 5.063 4.527 -0.000 0.000 0.313 298 F C -0.527 175.041 175.800 -0.387 0.000 1.130 298 F CA -0.773 57.020 58.000 -0.345 0.000 0.936 298 F CB 0.691 39.653 39.000 -0.063 0.000 1.219 298 F HN 0.286 nan 8.300 nan 0.000 0.445 299 F N 1.557 121.703 119.950 0.327 0.000 2.420 299 F HA 0.292 4.819 4.527 -0.000 0.000 0.342 299 F C 0.855 176.807 175.800 0.253 0.000 1.113 299 F CA -0.908 57.247 58.000 0.258 0.000 1.059 299 F CB 0.585 39.696 39.000 0.184 0.000 1.128 299 F HN 0.501 nan 8.300 nan 0.000 0.475 300 H N 2.605 121.892 119.070 0.362 0.000 3.219 300 H HA -0.056 4.500 4.556 -0.000 0.000 0.283 300 H C 1.096 176.536 175.328 0.186 0.000 0.894 300 H CA 1.213 57.416 56.048 0.259 0.000 1.406 300 H CB 0.139 30.066 29.762 0.276 0.000 1.349 300 H HN 0.996 nan 8.280 nan 0.000 0.550 301 G N 4.386 113.005 108.800 -0.301 0.000 2.246 301 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.273 301 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.273 301 G C -0.345 174.517 174.900 -0.064 0.000 1.055 301 G CA 0.535 45.471 45.100 -0.272 0.000 0.851 301 G HN 0.769 nan 8.290 nan 0.000 0.500 302 E N -1.254 118.962 120.200 0.027 0.000 2.291 302 E HA 0.515 4.865 4.350 -0.000 0.000 0.276 302 E C 0.859 177.480 176.600 0.036 0.000 0.896 302 E CA 0.158 56.604 56.400 0.077 0.000 0.774 302 E CB 1.368 31.187 29.700 0.198 0.000 1.227 302 E HN 0.986 nan 8.360 nan 0.000 0.413 303 E N 1.917 122.113 120.200 -0.006 0.000 4.001 303 E HA -0.442 3.908 4.350 -0.000 0.000 0.234 303 E C 1.393 177.848 176.600 -0.241 0.000 1.285 303 E CA 3.025 59.367 56.400 -0.098 0.000 2.099 303 E CB -2.199 27.457 29.700 -0.073 0.000 1.843 303 E HN 1.602 nan 8.360 nan 0.000 0.275 304 G N -0.482 108.037 108.800 -0.469 0.000 2.320 304 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.242 304 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.242 304 G C 0.650 175.004 174.900 -0.911 0.000 1.033 304 G CA 1.501 46.245 45.100 -0.594 0.000 0.620 304 G HN 1.369 nan 8.290 nan 0.000 0.517 305 R N 1.315 121.361 120.500 -0.758 0.000 2.254 305 R HA 0.505 4.845 4.340 -0.000 0.000 0.318 305 R C -1.262 174.666 176.300 -0.619 0.000 1.031 305 R CA -0.428 55.330 56.100 -0.570 0.000 0.905 305 R CB 0.641 30.693 30.300 -0.414 0.000 1.050 305 R HN 0.113 nan 8.270 nan 0.000 0.456 306 D N 2.265 122.447 120.400 -0.362 0.000 2.303 306 D HA 0.123 4.763 4.640 -0.000 0.000 0.236 306 D C 0.171 176.366 176.300 -0.176 0.000 1.068 306 D CA -0.275 53.664 54.000 -0.101 0.000 0.830 306 D CB 0.860 41.725 40.800 0.108 0.000 1.109 306 D HN 0.670 nan 8.370 nan 0.000 0.496 307 H N 2.266 121.376 119.070 0.067 0.000 2.486 307 H HA 0.004 4.560 4.556 -0.000 0.000 0.287 307 H C 0.684 176.029 175.328 0.029 0.000 1.010 307 H CA 0.382 56.453 56.048 0.039 0.000 1.324 307 H CB 0.565 30.349 29.762 0.037 0.000 1.446 307 H HN 0.461 nan 8.280 nan 0.000 0.537 308 D N 0.829 121.305 120.400 0.127 0.000 2.144 308 D HA -0.108 4.532 4.640 -0.000 0.000 0.199 308 D C 2.290 178.588 176.300 -0.004 0.000 0.984 308 D CA 0.436 54.460 54.000 0.040 0.000 0.834 308 D CB -0.158 40.641 40.800 -0.003 0.000 0.955 308 D HN 0.177 nan 8.370 nan 0.000 0.465 309 L N 0.747 121.971 121.223 0.001 0.000 2.023 309 L HA -0.026 4.313 4.340 -0.000 0.000 0.205 309 L C 2.138 179.108 176.870 0.167 0.000 1.073 309 L CA 1.464 56.313 54.840 0.016 0.000 0.745 309 L CB -0.129 41.949 42.059 0.031 0.000 0.900 309 L HN -0.189 nan 8.230 nan 0.000 0.435 310 R N -0.381 120.187 120.500 0.114 0.000 2.152 310 R HA -0.072 4.268 4.340 -0.000 0.000 0.232 310 R C 2.132 178.520 176.300 0.146 0.000 1.117 310 R CA 1.024 57.201 56.100 0.128 0.000 0.981 310 R CB -0.598 29.744 30.300 0.069 0.000 0.870 310 R HN 0.498 nan 8.270 nan 0.000 0.451 311 A N 0.845 123.732 122.820 0.111 0.000 2.119 311 A HA -0.015 4.304 4.320 -0.000 0.000 0.217 311 A C 1.774 179.396 177.584 0.064 0.000 1.153 311 A CA 0.819 52.903 52.037 0.078 0.000 0.692 311 A CB -0.161 18.874 19.000 0.058 0.000 0.799 311 A HN 0.197 nan 8.150 nan 0.000 0.458 312 L N -1.145 120.123 121.223 0.075 0.000 2.607 312 L HA 0.243 4.583 4.340 -0.000 0.000 0.228 312 L C 0.724 177.584 176.870 -0.018 0.000 1.123 312 L CA -0.223 54.638 54.840 0.034 0.000 0.890 312 L CB -0.342 41.742 42.059 0.041 0.000 1.103 312 L HN 0.340 nan 8.230 nan 0.000 0.468 313 H N 0.000 119.112 119.070 0.069 0.000 2.539 313 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 313 H CA 0.000 56.084 56.048 0.059 0.000 1.023 313 H CB 0.000 29.800 29.762 0.063 0.000 1.292 313 H HN 0.000 nan 8.280 nan 0.000 0.496