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 2ex9_1_A DATA FIRST_RESID 28 DATA SEQUENCE TQLPAGANLA LMVQKVGASA PAIDYHSQQM ALPASTQKVI TALAALIQLG DATA SEQUENCE PDFRFTTTLE TKGNVENGVL KGDLVARFGA DPTLKRQDIR NMVATLKKSG DATA SEQUENCE VNQIDGNVLI DTSIFASHDK APGWPWNDMT QcFSAPPAAA IVDRNcFSVS DATA SEQUENCE LYSAPKPGDM AFIRVASYYP VTMFSQVRTL PRGSAEAQYc ELDVVPGDLN DATA SEQUENCE RFTLTGcLPQ RSEPLPLAFA VQDGASYAGA ILKYELKQAG ITWSGTLLRQ DATA SEQUENCE TQVNEPGTVV ASKQSAPLHD LLKIMLKKSD NMIADTVFRM IGHARFNVPG DATA SEQUENCE TWRAGSDAVR QILRQQAGVD IGNTIIADGS GLSRHNLIAP ATMMQVLQYI DATA SEQUENCE AQHDNELNFI SMLPLAGYDG SLQYRAGLHQ AGVDGKVSAK TGSLQGVYNL DATA SEQUENCE AGFITTASGQ RMAFVQYLSG YAVEXXXXXX XXIPLVRFES RLYKDIYQNN 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 28 T HA 0.000 nan 4.350 nan 0.000 0.228 28 T C 0.000 174.749 174.700 0.081 0.000 1.109 28 T CA 0.000 62.164 62.100 0.107 0.000 1.349 28 T CB 0.000 68.853 68.868 -0.025 0.000 0.612 29 Q N 3.564 123.447 119.800 0.138 0.000 2.253 29 Q HA 0.287 4.627 4.340 -0.000 0.000 0.210 29 Q C 0.410 176.435 176.000 0.042 0.000 0.907 29 Q CA 0.117 55.972 55.803 0.088 0.000 0.948 29 Q CB 0.109 28.921 28.738 0.123 0.000 1.033 29 Q HN 0.664 nan 8.270 nan 0.000 0.471 30 L N 2.164 123.381 121.223 -0.010 0.000 2.357 30 L HA 0.314 4.654 4.340 -0.000 0.000 0.273 30 L C -1.721 175.084 176.870 -0.109 0.000 1.080 30 L CA -1.868 52.932 54.840 -0.066 0.000 0.803 30 L CB 0.298 42.272 42.059 -0.143 0.000 1.174 30 L HN -0.004 nan 8.230 nan 0.000 0.443 31 P HA -0.001 nan 4.420 nan 0.000 0.267 31 P C -0.700 176.499 177.300 -0.168 0.000 1.201 31 P CA -0.437 62.518 63.100 -0.243 0.000 0.775 31 P CB 0.450 31.854 31.700 -0.494 0.000 0.854 32 A N 1.681 124.429 122.820 -0.121 0.000 2.561 32 A HA 0.355 4.675 4.320 -0.000 0.000 0.251 32 A C 1.502 179.038 177.584 -0.081 0.000 1.062 32 A CA 0.749 52.739 52.037 -0.079 0.000 0.761 32 A CB -1.596 17.369 19.000 -0.059 0.000 0.986 32 A HN 0.990 nan 8.150 nan 0.000 0.510 33 G N 0.944 109.711 108.800 -0.056 0.000 2.141 33 G HA2 0.162 4.122 3.960 -0.000 0.000 0.242 33 G HA3 0.162 4.122 3.960 -0.000 0.000 0.242 33 G C 0.536 175.413 174.900 -0.038 0.000 0.982 33 G CA 0.418 45.493 45.100 -0.041 0.000 0.662 33 G HN 2.190 nan 8.290 nan 0.000 0.527 34 A N -0.444 122.345 122.820 -0.052 0.000 2.386 34 A HA 0.652 4.972 4.320 -0.000 0.000 0.248 34 A C 0.303 177.892 177.584 0.008 0.000 1.082 34 A CA 0.322 52.350 52.037 -0.016 0.000 0.789 34 A CB 0.293 19.283 19.000 -0.018 0.000 1.025 34 A HN 0.582 nan 8.150 nan 0.000 0.490 35 N N -0.010 118.710 118.700 0.034 0.000 2.446 35 N HA 0.485 5.225 4.740 -0.000 0.000 0.265 35 N C -1.227 174.334 175.510 0.086 0.000 0.975 35 N CA -0.391 52.684 53.050 0.042 0.000 0.928 35 N CB 1.770 40.267 38.487 0.017 0.000 1.160 35 N HN 0.519 nan 8.380 nan 0.000 0.495 36 L N 2.524 123.834 121.223 0.145 0.000 2.313 36 L HA 0.812 5.152 4.340 -0.000 0.000 0.283 36 L C -1.016 176.062 176.870 0.347 0.000 1.013 36 L CA -0.598 54.376 54.840 0.224 0.000 0.816 36 L CB 1.176 43.339 42.059 0.174 0.000 1.236 36 L HN 0.604 nan 8.230 nan 0.000 0.419 37 A N 5.596 128.601 122.820 0.308 0.000 2.319 37 A HA 0.767 5.087 4.320 -0.000 0.000 0.310 37 A C -1.698 176.047 177.584 0.268 0.000 1.152 37 A CA -0.453 51.761 52.037 0.296 0.000 0.783 37 A CB 1.115 20.254 19.000 0.231 0.000 1.184 37 A HN 0.737 nan 8.150 nan 0.000 0.474 38 L N 2.535 123.926 121.223 0.280 0.000 2.431 38 L HA 0.857 5.197 4.340 -0.000 0.000 0.266 38 L C -0.935 176.026 176.870 0.151 0.000 0.978 38 L CA -0.341 54.629 54.840 0.216 0.000 0.822 38 L CB 1.871 44.086 42.059 0.260 0.000 1.310 38 L HN 0.825 nan 8.230 nan 0.000 0.409 39 M N 5.112 124.772 119.600 0.099 0.000 2.324 39 M HA 0.729 5.209 4.480 -0.000 0.000 0.288 39 M C -2.062 174.295 176.300 0.096 0.000 1.097 39 M CA -0.565 54.779 55.300 0.074 0.000 0.928 39 M CB 2.090 34.708 32.600 0.031 0.000 1.648 39 M HN 0.410 nan 8.290 nan 0.000 0.460 40 V N 3.833 123.799 119.914 0.087 0.000 2.623 40 V HA 0.574 4.694 4.120 -0.000 0.000 0.304 40 V C -1.124 175.018 176.094 0.081 0.000 1.054 40 V CA -0.526 61.841 62.300 0.112 0.000 0.882 40 V CB 1.965 33.833 31.823 0.075 0.000 1.002 40 V HN 0.891 nan 8.190 nan 0.000 0.424 41 Q N 2.904 122.761 119.800 0.095 0.000 2.281 41 Q HA 0.393 4.733 4.340 -0.000 0.000 0.263 41 Q C -0.808 175.248 176.000 0.093 0.000 0.989 41 Q CA -0.782 55.066 55.803 0.075 0.000 0.852 41 Q CB 2.254 31.029 28.738 0.061 0.000 1.337 41 Q HN 0.751 nan 8.270 nan 0.000 0.418 42 K N 2.016 122.461 120.400 0.074 0.000 2.524 42 K HA 0.050 4.370 4.320 -0.000 0.000 0.279 42 K C -0.602 176.050 176.600 0.086 0.000 0.993 42 K CA -0.090 56.243 56.287 0.077 0.000 1.030 42 K CB 0.520 33.048 32.500 0.048 0.000 0.891 42 K HN 0.460 nan 8.250 nan 0.000 0.488 43 V N 4.500 124.475 119.914 0.102 0.000 2.509 43 V HA 0.053 4.173 4.120 -0.000 0.000 0.297 43 V C 1.458 177.582 176.094 0.048 0.000 1.014 43 V CA 1.598 63.953 62.300 0.093 0.000 1.127 43 V CB 0.196 32.068 31.823 0.081 0.000 0.925 43 V HN 1.167 nan 8.190 nan 0.000 0.480 44 G N 3.811 112.638 108.800 0.045 0.000 2.199 44 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.254 44 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.254 44 G C 0.419 175.334 174.900 0.026 0.000 0.982 44 G CA 0.201 45.316 45.100 0.024 0.000 0.632 44 G HN 1.480 nan 8.290 nan 0.000 0.529 45 A N 0.318 123.158 122.820 0.034 0.000 2.322 45 A HA 0.758 5.078 4.320 -0.000 0.000 0.269 45 A C 1.504 179.107 177.584 0.031 0.000 1.094 45 A CA 1.062 53.116 52.037 0.029 0.000 0.807 45 A CB 0.701 19.719 19.000 0.030 0.000 1.047 45 A HN 1.411 nan 8.150 nan 0.000 0.487 46 S N 0.145 115.861 115.700 0.026 0.000 2.503 46 S HA 0.460 4.930 4.470 -0.000 0.000 0.215 46 S C 0.665 175.279 174.600 0.024 0.000 1.003 46 S CA 0.438 58.653 58.200 0.026 0.000 0.910 46 S CB -0.047 63.167 63.200 0.022 0.000 0.790 46 S HN 1.446 nan 8.310 nan 0.000 0.514 47 A N 2.862 125.696 122.820 0.023 0.000 2.365 47 A HA 0.778 5.098 4.320 -0.000 0.000 0.318 47 A C -2.870 174.728 177.584 0.024 0.000 1.091 47 A CA -2.042 50.007 52.037 0.021 0.000 0.763 47 A CB 0.879 19.888 19.000 0.016 0.000 1.248 47 A HN 0.209 nan 8.150 nan 0.000 0.442 48 P HA 0.327 nan 4.420 nan 0.000 0.274 48 P C 0.575 177.890 177.300 0.025 0.000 1.231 48 P CA 0.142 63.260 63.100 0.030 0.000 0.790 48 P CB 1.616 33.335 31.700 0.032 0.000 0.951 49 A N 3.384 126.219 122.820 0.026 0.000 1.898 49 A HA 0.101 4.421 4.320 -0.000 0.000 0.214 49 A C 1.194 178.785 177.584 0.011 0.000 1.183 49 A CA 0.933 52.979 52.037 0.014 0.000 0.622 49 A CB -0.489 18.518 19.000 0.011 0.000 0.824 49 A HN 0.562 nan 8.150 nan 0.000 0.444 50 I N 0.266 120.848 120.570 0.020 0.000 2.406 50 I HA 0.328 4.498 4.170 -0.000 0.000 0.290 50 I C -1.397 174.751 176.117 0.052 0.000 0.999 50 I CA -0.551 60.764 61.300 0.025 0.000 1.124 50 I CB 1.986 39.987 38.000 0.002 0.000 1.289 50 I HN 0.064 nan 8.210 nan 0.000 0.441 51 D N 6.229 126.668 120.400 0.064 0.000 2.358 51 D HA 0.187 4.827 4.640 -0.000 0.000 0.253 51 D C -1.800 174.560 176.300 0.100 0.000 1.288 51 D CA -0.275 53.766 54.000 0.067 0.000 0.950 51 D CB 0.857 41.675 40.800 0.029 0.000 1.197 51 D HN 0.329 nan 8.370 nan 0.000 0.550 52 Y N 4.662 124.949 120.300 -0.021 0.000 2.363 52 Y HA 0.282 4.832 4.550 -0.000 0.000 0.325 52 Y C -0.032 175.876 175.900 0.013 0.000 0.984 52 Y CA -0.529 57.534 58.100 -0.061 0.000 1.248 52 Y CB 0.235 38.703 38.460 0.015 0.000 1.116 52 Y HN 0.428 nan 8.280 nan 0.000 0.470 53 H N 2.458 121.344 119.070 -0.307 0.000 2.713 53 H HA -0.204 4.352 4.556 -0.000 0.000 0.311 53 H C 1.465 176.760 175.328 -0.055 0.000 1.175 53 H CA 1.103 57.016 56.048 -0.225 0.000 1.143 53 H CB -1.325 28.235 29.762 -0.335 0.000 1.434 53 H HN 0.654 nan 8.280 nan 0.000 0.418 54 S N -1.201 114.526 115.700 0.046 0.000 2.481 54 S HA -0.096 4.374 4.470 -0.000 0.000 0.231 54 S C 1.765 176.397 174.600 0.053 0.000 0.996 54 S CA 1.110 59.344 58.200 0.055 0.000 0.942 54 S CB 0.302 63.524 63.200 0.036 0.000 0.768 54 S HN 0.361 nan 8.310 nan 0.000 0.520 55 Q N 0.772 120.603 119.800 0.050 0.000 2.425 55 Q HA 0.243 4.583 4.340 -0.000 0.000 0.204 55 Q C -0.060 175.976 176.000 0.060 0.000 0.933 55 Q CA 0.318 56.150 55.803 0.048 0.000 0.939 55 Q CB 0.121 28.879 28.738 0.034 0.000 1.044 55 Q HN 0.497 nan 8.270 nan 0.000 0.513 56 Q N 0.569 120.414 119.800 0.075 0.000 2.296 56 Q HA 0.139 4.479 4.340 -0.000 0.000 0.262 56 Q C -0.184 175.865 176.000 0.083 0.000 0.981 56 Q CA 0.110 55.950 55.803 0.061 0.000 0.905 56 Q CB 0.667 29.427 28.738 0.037 0.000 1.186 56 Q HN 0.254 nan 8.270 nan 0.000 0.399 57 M N 1.523 121.161 119.600 0.062 0.000 2.245 57 M HA 0.413 4.893 4.480 -0.000 0.000 0.344 57 M C 0.045 176.384 176.300 0.065 0.000 1.170 57 M CA 0.129 55.471 55.300 0.071 0.000 1.135 57 M CB 0.078 32.702 32.600 0.040 0.000 1.574 57 M HN 0.676 nan 8.290 nan 0.000 0.452 58 A N 2.573 125.433 122.820 0.067 0.000 2.593 58 A HA 0.727 5.047 4.320 -0.000 0.000 0.290 58 A C -1.416 176.087 177.584 -0.136 0.000 1.126 58 A CA -0.830 51.201 52.037 -0.009 0.000 0.695 58 A CB 1.251 20.285 19.000 0.056 0.000 1.290 58 A HN 0.660 nan 8.150 nan 0.000 0.414 59 L N 2.227 123.345 121.223 -0.175 0.000 2.433 59 L HA 0.380 4.720 4.340 -0.000 0.000 0.275 59 L C -1.275 175.335 176.870 -0.434 0.000 1.128 59 L CA -1.348 53.364 54.840 -0.212 0.000 0.875 59 L CB 0.680 42.653 42.059 -0.145 0.000 1.171 59 L HN 0.524 nan 8.230 nan 0.000 0.463 60 P HA 0.047 nan 4.420 nan 0.000 0.230 60 P C 0.665 177.795 177.300 -0.283 0.000 1.168 60 P CA 0.997 63.762 63.100 -0.558 0.000 0.793 60 P CB 0.223 31.786 31.700 -0.228 0.000 0.851 61 A N 0.477 123.182 122.820 -0.191 0.000 5.813 61 A HA -0.266 4.054 4.320 -0.000 0.000 0.291 61 A C 1.752 179.289 177.584 -0.077 0.000 1.970 61 A CA 1.579 53.537 52.037 -0.131 0.000 0.717 61 A CB -2.381 16.530 19.000 -0.149 0.000 1.222 61 A HN 0.183 nan 8.150 nan 0.000 0.377 62 S N 0.328 115.992 115.700 -0.060 0.000 2.584 62 S HA 0.001 4.471 4.470 -0.000 0.000 0.240 62 S C 1.832 176.449 174.600 0.027 0.000 0.975 62 S CA 1.826 60.015 58.200 -0.018 0.000 0.949 62 S CB -0.846 62.337 63.200 -0.028 0.000 0.761 62 S HN 1.589 nan 8.310 nan 0.000 0.536 63 T N -0.801 113.780 114.554 0.045 0.000 3.051 63 T HA -0.085 4.265 4.350 -0.000 0.000 0.269 63 T C 1.580 176.344 174.700 0.107 0.000 1.127 63 T CA 0.934 63.095 62.100 0.102 0.000 1.107 63 T CB -0.276 68.713 68.868 0.203 0.000 0.898 63 T HN 0.236 nan 8.240 nan 0.000 0.517 64 Q N 1.740 121.584 119.800 0.073 0.000 2.181 64 Q HA -0.071 4.269 4.340 -0.000 0.000 0.205 64 Q C 2.124 178.193 176.000 0.114 0.000 0.980 64 Q CA 1.576 57.429 55.803 0.083 0.000 0.862 64 Q CB -0.434 28.328 28.738 0.041 0.000 0.905 64 Q HN 0.610 nan 8.270 nan 0.000 0.429 65 K N -0.930 119.534 120.400 0.107 0.000 2.211 65 K HA -0.109 4.211 4.320 -0.000 0.000 0.204 65 K C 1.853 178.562 176.600 0.183 0.000 1.047 65 K CA 1.204 57.569 56.287 0.130 0.000 0.935 65 K CB -0.027 32.531 32.500 0.097 0.000 0.728 65 K HN 0.108 nan 8.250 nan 0.000 0.452 66 V N 1.639 121.673 119.914 0.199 0.000 2.295 66 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 66 V C 2.154 178.412 176.094 0.273 0.000 1.049 66 V CA 1.651 64.130 62.300 0.299 0.000 1.024 66 V CB -0.350 31.586 31.823 0.188 0.000 0.648 66 V HN 0.270 nan 8.190 nan 0.000 0.447 67 I N -0.073 120.606 120.570 0.181 0.000 2.226 67 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 67 I C 2.578 178.808 176.117 0.189 0.000 1.100 67 I CA 1.849 63.242 61.300 0.156 0.000 1.374 67 I CB -0.590 37.491 38.000 0.135 0.000 1.057 67 I HN 0.331 nan 8.210 nan 0.000 0.413 68 T N 0.825 115.508 114.554 0.215 0.000 2.652 68 T HA -0.231 4.119 4.350 -0.000 0.000 0.267 68 T C 2.052 176.872 174.700 0.200 0.000 1.039 68 T CA 1.623 63.865 62.100 0.236 0.000 1.153 68 T CB -0.435 68.585 68.868 0.252 0.000 0.863 68 T HN 0.490 nan 8.240 nan 0.000 0.428 69 A N 1.144 124.095 122.820 0.219 0.000 1.908 69 A HA -0.037 4.283 4.320 -0.000 0.000 0.218 69 A C 2.275 180.043 177.584 0.306 0.000 1.181 69 A CA 1.505 53.659 52.037 0.195 0.000 0.627 69 A CB -0.834 18.225 19.000 0.098 0.000 0.818 69 A HN 0.409 nan 8.150 nan 0.000 0.445 70 L N -0.289 121.185 121.223 0.418 0.000 2.027 70 L HA -0.010 4.330 4.340 -0.000 0.000 0.206 70 L C 2.668 179.626 176.870 0.146 0.000 1.074 70 L CA 2.302 57.330 54.840 0.314 0.000 0.745 70 L CB -0.858 41.292 42.059 0.151 0.000 0.898 70 L HN 0.324 nan 8.230 nan 0.000 0.433 71 A N -0.455 122.421 122.820 0.093 0.000 1.940 71 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 71 A C 2.432 180.013 177.584 -0.004 0.000 1.176 71 A CA 1.825 53.872 52.037 0.017 0.000 0.631 71 A CB -1.149 17.854 19.000 0.005 0.000 0.814 71 A HN 0.608 nan 8.150 nan 0.000 0.446 72 A N -0.343 122.495 122.820 0.030 0.000 1.898 72 A HA 0.001 4.321 4.320 -0.000 0.000 0.216 72 A C 2.163 179.741 177.584 -0.009 0.000 1.181 72 A CA 1.410 53.435 52.037 -0.019 0.000 0.620 72 A CB -0.529 18.482 19.000 0.018 0.000 0.819 72 A HN 0.466 nan 8.150 nan 0.000 0.442 73 L N -0.665 120.596 121.223 0.064 0.000 2.056 73 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 73 L C 2.470 179.377 176.870 0.063 0.000 1.078 73 L CA 1.127 56.023 54.840 0.094 0.000 0.749 73 L CB -0.439 41.725 42.059 0.175 0.000 0.901 73 L HN 0.384 nan 8.230 nan 0.000 0.433 74 I N -0.694 119.902 120.570 0.043 0.000 2.202 74 I HA -0.285 3.885 4.170 -0.000 0.000 0.242 74 I C 2.630 178.726 176.117 -0.035 0.000 1.091 74 I CA 1.120 62.425 61.300 0.007 0.000 1.368 74 I CB -0.106 37.880 38.000 -0.023 0.000 1.058 74 I HN 0.279 nan 8.210 nan 0.000 0.410 75 Q N 1.053 120.808 119.800 -0.075 0.000 2.062 75 Q HA -0.042 4.298 4.340 -0.000 0.000 0.196 75 Q C 2.005 177.927 176.000 -0.131 0.000 0.967 75 Q CA 1.655 57.382 55.803 -0.126 0.000 0.832 75 Q CB -0.024 28.603 28.738 -0.186 0.000 0.899 75 Q HN 0.455 nan 8.270 nan 0.000 0.442 76 L N -1.089 120.041 121.223 -0.155 0.000 2.354 76 L HA 0.357 4.697 4.340 -0.000 0.000 0.212 76 L C 0.956 177.823 176.870 -0.005 0.000 1.091 76 L CA 0.130 54.858 54.840 -0.186 0.000 0.828 76 L CB -0.270 41.494 42.059 -0.492 0.000 0.973 76 L HN 0.388 nan 8.230 nan 0.000 0.461 77 G N 0.687 109.499 108.800 0.020 0.000 2.787 77 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.685 77 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.685 77 G C -2.114 172.862 174.900 0.127 0.000 1.437 77 G CA -0.324 44.822 45.100 0.078 0.000 0.872 77 G HN 0.039 nan 8.290 nan 0.000 0.566 78 P HA 0.028 nan 4.420 nan 0.000 0.225 78 P C 0.545 177.938 177.300 0.155 0.000 1.148 78 P CA 1.543 64.750 63.100 0.179 0.000 0.779 78 P CB 0.200 31.989 31.700 0.148 0.000 0.780 79 D N -1.316 119.157 120.400 0.121 0.000 2.369 79 D HA 0.062 4.702 4.640 -0.000 0.000 0.211 79 D C 0.486 176.832 176.300 0.078 0.000 1.077 79 D CA -0.433 53.615 54.000 0.082 0.000 0.842 79 D CB -0.301 40.526 40.800 0.046 0.000 0.947 79 D HN 0.159 nan 8.370 nan 0.000 0.509 80 F N 2.615 122.553 119.950 -0.020 0.000 2.602 80 F HA 0.070 4.597 4.527 -0.000 0.000 0.367 80 F C 0.336 176.090 175.800 -0.077 0.000 1.126 80 F CA 0.089 58.046 58.000 -0.072 0.000 1.321 80 F CB 0.477 39.403 39.000 -0.123 0.000 1.094 80 F HN -0.345 nan 8.300 nan 0.000 0.594 81 R N 5.505 125.336 120.500 -1.115 0.000 2.686 81 R HA 0.362 4.702 4.340 -0.000 0.000 0.286 81 R C -1.308 174.276 176.300 -1.194 0.000 0.969 81 R CA -1.002 54.620 56.100 -0.796 0.000 0.898 81 R CB 1.546 31.642 30.300 -0.340 0.000 1.183 81 R HN 0.510 nan 8.270 nan 0.000 0.456 82 F N 0.775 120.432 119.950 -0.487 0.000 2.506 82 F HA 0.165 4.692 4.527 -0.000 0.000 0.351 82 F C 1.400 177.081 175.800 -0.198 0.000 1.136 82 F CA 0.705 58.578 58.000 -0.213 0.000 1.298 82 F CB 1.058 40.077 39.000 0.031 0.000 1.145 82 F HN 0.340 nan 8.300 nan 0.000 0.593 83 T N 0.436 115.012 114.554 0.035 0.000 2.909 83 T HA 0.654 5.004 4.350 -0.000 0.000 0.299 83 T C -0.818 173.860 174.700 -0.035 0.000 1.073 83 T CA -0.568 61.516 62.100 -0.027 0.000 0.999 83 T CB 1.486 70.301 68.868 -0.089 0.000 1.098 83 T HN 0.552 nan 8.240 nan 0.000 0.477 84 T N 3.046 117.547 114.554 -0.088 0.000 2.861 84 T HA 0.767 5.117 4.350 -0.000 0.000 0.287 84 T C -0.467 174.119 174.700 -0.191 0.000 1.003 84 T CA -0.731 61.253 62.100 -0.193 0.000 0.977 84 T CB 1.648 70.369 68.868 -0.245 0.000 0.996 84 T HN 1.041 nan 8.240 nan 0.000 0.448 85 T N 0.412 114.831 114.554 -0.225 0.000 2.903 85 T HA 0.752 5.102 4.350 -0.000 0.000 0.299 85 T C -0.918 173.671 174.700 -0.187 0.000 1.093 85 T CA -0.989 61.011 62.100 -0.166 0.000 1.002 85 T CB 0.950 69.751 68.868 -0.112 0.000 1.127 85 T HN 0.400 nan 8.240 nan 0.000 0.488 86 L N 1.532 122.673 121.223 -0.137 0.000 2.295 86 L HA 0.628 4.968 4.340 -0.000 0.000 0.285 86 L C 0.086 176.908 176.870 -0.080 0.000 1.035 86 L CA -0.714 54.058 54.840 -0.114 0.000 0.806 86 L CB 1.462 43.462 42.059 -0.098 0.000 1.214 86 L HN 0.752 nan 8.230 nan 0.000 0.426 87 E N 1.174 121.334 120.200 -0.068 0.000 2.288 87 E HA 0.460 4.810 4.350 -0.000 0.000 0.268 87 E C -0.890 175.687 176.600 -0.037 0.000 0.885 87 E CA -0.724 55.648 56.400 -0.047 0.000 0.767 87 E CB 2.597 32.273 29.700 -0.041 0.000 1.220 87 E HN 0.586 nan 8.360 nan 0.000 0.427 88 T N -0.470 114.068 114.554 -0.027 0.000 2.823 88 T HA 0.487 4.837 4.350 -0.000 0.000 0.279 88 T C -0.347 174.346 174.700 -0.012 0.000 0.998 88 T CA -1.070 61.018 62.100 -0.019 0.000 0.994 88 T CB 1.063 69.922 68.868 -0.014 0.000 0.960 88 T HN 0.232 nan 8.240 nan 0.000 0.448 89 K N 2.312 122.707 120.400 -0.008 0.000 2.404 89 K HA 0.643 4.963 4.320 -0.000 0.000 0.257 89 K C 0.117 176.719 176.600 0.002 0.000 1.026 89 K CA -0.707 55.579 56.287 -0.002 0.000 0.951 89 K CB 1.285 33.785 32.500 -0.001 0.000 1.203 89 K HN 1.151 nan 8.250 nan 0.000 0.446 90 G N 2.027 110.829 108.800 0.003 0.000 2.347 90 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.477 90 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.477 90 G C -1.532 173.371 174.900 0.005 0.000 1.349 90 G CA -1.146 43.957 45.100 0.006 0.000 1.000 90 G HN 0.424 nan 8.290 nan 0.000 0.605 91 N N -0.848 117.856 118.700 0.006 0.000 2.524 91 N HA 0.468 5.208 4.740 -0.000 0.000 0.283 91 N C 0.070 175.585 175.510 0.007 0.000 1.142 91 N CA -0.269 52.785 53.050 0.005 0.000 0.984 91 N CB 1.908 40.398 38.487 0.005 0.000 1.155 91 N HN 0.459 nan 8.380 nan 0.000 0.467 92 V N 2.144 122.061 119.914 0.006 0.000 2.348 92 V HA 0.189 4.309 4.120 -0.000 0.000 0.270 92 V C 0.112 176.210 176.094 0.007 0.000 1.037 92 V CA -0.382 61.923 62.300 0.007 0.000 0.872 92 V CB 0.240 32.066 31.823 0.005 0.000 1.002 92 V HN 0.531 nan 8.190 nan 0.000 0.464 93 E N 4.111 124.316 120.200 0.009 0.000 2.155 93 E HA 0.374 4.724 4.350 -0.000 0.000 0.264 93 E C 0.055 176.660 176.600 0.008 0.000 0.886 93 E CA -0.641 55.764 56.400 0.007 0.000 0.752 93 E CB 0.912 30.617 29.700 0.008 0.000 1.133 93 E HN 0.686 nan 8.360 nan 0.000 0.414 94 N N 2.513 121.216 118.700 0.006 0.000 2.740 94 N HA -0.246 4.494 4.740 -0.000 0.000 0.248 94 N C 0.643 176.157 175.510 0.007 0.000 1.062 94 N CA 1.216 54.269 53.050 0.005 0.000 0.704 94 N CB -0.855 37.635 38.487 0.005 0.000 0.968 94 N HN 0.951 nan 8.380 nan 0.000 0.547 95 G N -2.777 106.028 108.800 0.008 0.000 2.179 95 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.260 95 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.260 95 G C 0.008 174.918 174.900 0.017 0.000 0.977 95 G CA 0.305 45.411 45.100 0.011 0.000 0.641 95 G HN 0.671 nan 8.290 nan 0.000 0.533 96 V N 2.030 121.954 119.914 0.017 0.000 2.370 96 V HA 0.516 4.636 4.120 -0.000 0.000 0.283 96 V C 0.860 176.967 176.094 0.023 0.000 1.023 96 V CA -0.818 61.496 62.300 0.024 0.000 0.857 96 V CB 1.805 33.641 31.823 0.022 0.000 0.985 96 V HN 0.349 nan 8.190 nan 0.000 0.443 97 L N 5.921 127.161 121.223 0.029 0.000 2.361 97 L HA 0.331 4.671 4.340 -0.000 0.000 0.278 97 L C 0.274 177.161 176.870 0.028 0.000 1.113 97 L CA -0.312 54.543 54.840 0.025 0.000 0.849 97 L CB 0.638 42.712 42.059 0.024 0.000 1.155 97 L HN 0.570 nan 8.230 nan 0.000 0.452 98 K N 5.090 125.503 120.400 0.022 0.000 2.180 98 K HA 0.493 4.813 4.320 -0.000 0.000 0.250 98 K C 0.134 176.746 176.600 0.021 0.000 1.135 98 K CA -0.003 56.297 56.287 0.022 0.000 1.037 98 K CB 0.722 33.233 32.500 0.017 0.000 1.624 98 K HN 0.927 nan 8.250 nan 0.000 0.382 99 G N 1.398 110.214 108.800 0.026 0.000 2.339 99 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.275 99 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.275 99 G C -1.821 173.093 174.900 0.022 0.000 1.323 99 G CA -0.856 44.257 45.100 0.021 0.000 0.927 99 G HN 0.272 nan 8.290 nan 0.000 0.486 100 D N 0.015 120.422 120.400 0.012 0.000 2.181 100 D HA 0.562 5.202 4.640 -0.000 0.000 0.248 100 D C -0.317 175.975 176.300 -0.013 0.000 1.020 100 D CA -0.304 53.698 54.000 0.003 0.000 0.891 100 D CB 2.329 43.130 40.800 0.002 0.000 1.187 100 D HN 0.436 nan 8.370 nan 0.000 0.443 101 L N 2.090 123.293 121.223 -0.034 0.000 2.276 101 L HA 0.337 4.677 4.340 -0.000 0.000 0.286 101 L C -1.097 175.738 176.870 -0.059 0.000 1.061 101 L CA -0.345 54.462 54.840 -0.056 0.000 0.807 101 L CB 1.246 43.251 42.059 -0.090 0.000 1.177 101 L HN 0.085 nan 8.230 nan 0.000 0.429 102 V N 5.357 125.241 119.914 -0.049 0.000 2.384 102 V HA 0.689 4.809 4.120 -0.000 0.000 0.287 102 V C 0.222 176.281 176.094 -0.058 0.000 1.020 102 V CA -0.511 61.766 62.300 -0.038 0.000 0.850 102 V CB 1.261 33.069 31.823 -0.024 0.000 0.987 102 V HN 0.945 nan 8.190 nan 0.000 0.436 103 A N 5.505 128.300 122.820 -0.041 0.000 2.341 103 A HA 0.551 4.871 4.320 -0.000 0.000 0.326 103 A C 0.235 177.762 177.584 -0.095 0.000 1.402 103 A CA -0.473 51.503 52.037 -0.101 0.000 0.957 103 A CB 0.022 19.016 19.000 -0.010 0.000 1.151 103 A HN 0.812 nan 8.150 nan 0.000 0.533 104 R N 3.450 123.841 120.500 -0.182 0.000 2.205 104 R HA 0.429 4.769 4.340 -0.000 0.000 0.342 104 R C -1.394 174.772 176.300 -0.224 0.000 1.058 104 R CA -0.268 55.770 56.100 -0.104 0.000 0.904 104 R CB 0.079 30.334 30.300 -0.075 0.000 1.089 104 R HN 0.530 nan 8.270 nan 0.000 0.471 105 F N 1.234 121.150 119.950 -0.057 0.000 2.380 105 F HA 0.355 4.882 4.527 -0.000 0.000 0.325 105 F C 1.612 177.344 175.800 -0.113 0.000 1.136 105 F CA 0.331 58.291 58.000 -0.067 0.000 1.171 105 F CB 1.789 40.754 39.000 -0.058 0.000 1.230 105 F HN 0.678 nan 8.300 nan 0.000 0.554 106 G N 0.405 109.243 108.800 0.062 0.000 4.299 106 G HA2 0.423 4.383 3.960 -0.000 0.000 0.290 106 G HA3 0.423 4.383 3.960 -0.000 0.000 0.290 106 G C 0.373 175.294 174.900 0.034 0.000 1.019 106 G CA 0.044 45.136 45.100 -0.013 0.000 0.790 106 G HN 1.150 nan 8.290 nan 0.000 0.452 107 A N 0.450 123.234 122.820 -0.060 0.000 2.847 107 A HA -0.205 4.115 4.320 -0.000 0.000 0.263 107 A C 0.510 177.983 177.584 -0.185 0.000 1.391 107 A CA 0.875 52.865 52.037 -0.079 0.000 0.866 107 A CB -1.989 16.918 19.000 -0.157 0.000 1.057 107 A HN 0.565 nan 8.150 nan 0.000 0.673 108 D N 0.002 120.328 120.400 -0.124 0.000 2.363 108 D HA 0.292 4.932 4.640 -0.000 0.000 0.263 108 D C -0.443 175.681 176.300 -0.293 0.000 1.258 108 D CA -1.015 52.773 54.000 -0.352 0.000 0.907 108 D CB 0.800 41.588 40.800 -0.019 0.000 1.107 108 D HN 0.317 nan 8.370 nan 0.000 0.495 109 P HA -0.052 nan 4.420 nan 0.000 0.233 109 P C 0.752 178.010 177.300 -0.069 0.000 1.167 109 P CA 0.780 63.772 63.100 -0.180 0.000 0.770 109 P CB 0.075 31.666 31.700 -0.182 0.000 0.837 110 T N -4.208 110.306 114.554 -0.067 0.000 3.092 110 T HA 0.214 4.564 4.350 -0.000 0.000 0.258 110 T C 0.489 175.208 174.700 0.031 0.000 1.031 110 T CA -0.503 61.598 62.100 0.001 0.000 0.925 110 T CB -0.633 68.244 68.868 0.015 0.000 1.036 110 T HN -0.146 nan 8.240 nan 0.000 0.544 111 L N 2.446 123.692 121.223 0.039 0.000 2.485 111 L HA 0.370 4.710 4.340 -0.000 0.000 0.275 111 L C -0.092 176.836 176.870 0.096 0.000 1.207 111 L CA 0.617 55.502 54.840 0.074 0.000 0.855 111 L CB 0.311 42.439 42.059 0.115 0.000 1.114 111 L HN 0.160 nan 8.230 nan 0.000 0.485 112 K N 4.017 124.467 120.400 0.085 0.000 2.400 112 K HA 0.416 4.736 4.320 -0.000 0.000 0.246 112 K C 0.756 177.406 176.600 0.083 0.000 0.995 112 K CA -0.957 55.383 56.287 0.088 0.000 0.840 112 K CB 1.767 34.301 32.500 0.058 0.000 1.293 112 K HN 0.444 nan 8.250 nan 0.000 0.445 113 R N 0.796 121.342 120.500 0.077 0.000 2.096 113 R HA -0.195 4.145 4.340 -0.000 0.000 0.240 113 R C 1.986 178.304 176.300 0.030 0.000 1.139 113 R CA 1.784 57.914 56.100 0.051 0.000 0.952 113 R CB -0.032 30.264 30.300 -0.006 0.000 0.854 113 R HN 0.512 nan 8.270 nan 0.000 0.436 114 Q N 0.298 120.104 119.800 0.009 0.000 2.181 114 Q HA -0.188 4.152 4.340 -0.000 0.000 0.205 114 Q C 1.493 177.499 176.000 0.009 0.000 0.980 114 Q CA 1.314 57.118 55.803 0.003 0.000 0.862 114 Q CB -0.115 28.619 28.738 -0.005 0.000 0.905 114 Q HN 0.443 nan 8.270 nan 0.000 0.429 115 D N 0.546 120.957 120.400 0.019 0.000 2.117 115 D HA -0.136 4.504 4.640 -0.000 0.000 0.197 115 D C 1.963 178.265 176.300 0.003 0.000 0.987 115 D CA 0.747 54.753 54.000 0.010 0.000 0.829 115 D CB -0.044 40.766 40.800 0.016 0.000 0.961 115 D HN 0.199 nan 8.370 nan 0.000 0.460 116 I N 0.991 121.576 120.570 0.025 0.000 2.179 116 I HA -0.212 3.958 4.170 -0.000 0.000 0.242 116 I C 2.543 178.666 176.117 0.010 0.000 1.088 116 I CA 0.897 62.211 61.300 0.023 0.000 1.357 116 I CB -0.972 37.070 38.000 0.071 0.000 1.051 116 I HN 0.022 nan 8.210 nan 0.000 0.409 117 R N 1.161 121.672 120.500 0.018 0.000 2.081 117 R HA -0.175 4.165 4.340 -0.000 0.000 0.235 117 R C 2.069 178.365 176.300 -0.007 0.000 1.131 117 R CA 1.713 57.819 56.100 0.010 0.000 0.960 117 R CB -0.054 30.255 30.300 0.015 0.000 0.856 117 R HN 0.365 nan 8.270 nan 0.000 0.436 118 N N 0.458 119.153 118.700 -0.009 0.000 2.120 118 N HA -0.162 4.578 4.740 -0.000 0.000 0.188 118 N C 1.796 177.292 175.510 -0.023 0.000 1.024 118 N CA 1.626 54.667 53.050 -0.015 0.000 0.852 118 N CB -0.238 38.241 38.487 -0.014 0.000 1.003 118 N HN 0.301 nan 8.380 nan 0.000 0.424 119 M N 0.142 119.723 119.600 -0.031 0.000 2.159 119 M HA -0.106 4.374 4.480 -0.000 0.000 0.263 119 M C 1.950 178.225 176.300 -0.041 0.000 1.063 119 M CA 1.027 56.300 55.300 -0.045 0.000 1.110 119 M CB -0.086 32.474 32.600 -0.067 0.000 1.374 119 M HN -0.078 nan 8.290 nan 0.000 0.411 120 V N 0.134 120.027 119.914 -0.035 0.000 2.358 120 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 120 V C 2.570 178.649 176.094 -0.025 0.000 1.047 120 V CA 1.896 64.177 62.300 -0.032 0.000 1.035 120 V CB -1.118 30.688 31.823 -0.028 0.000 0.658 120 V HN 0.521 nan 8.190 nan 0.000 0.452 121 A N -0.369 122.438 122.820 -0.022 0.000 1.940 121 A HA -0.241 4.078 4.320 -0.000 0.000 0.219 121 A C 2.391 179.964 177.584 -0.019 0.000 1.176 121 A CA 2.568 54.594 52.037 -0.019 0.000 0.631 121 A CB -0.888 18.102 19.000 -0.017 0.000 0.814 121 A HN 0.504 nan 8.150 nan 0.000 0.446 122 T N -0.093 114.448 114.554 -0.022 0.000 2.777 122 T HA -0.091 4.259 4.350 -0.000 0.000 0.266 122 T C 1.836 176.522 174.700 -0.022 0.000 1.040 122 T CA 1.343 63.430 62.100 -0.022 0.000 1.141 122 T CB -0.355 68.497 68.868 -0.027 0.000 0.868 122 T HN 0.355 nan 8.240 nan 0.000 0.444 123 L N 1.687 122.895 121.223 -0.026 0.000 1.989 123 L HA -0.088 4.252 4.340 -0.000 0.000 0.211 123 L C 2.300 179.162 176.870 -0.013 0.000 1.071 123 L CA 2.002 56.828 54.840 -0.023 0.000 0.749 123 L CB -0.642 41.399 42.059 -0.029 0.000 0.890 123 L HN 0.023 nan 8.230 nan 0.000 0.431 124 K N 0.312 120.706 120.400 -0.011 0.000 2.020 124 K HA -0.288 4.032 4.320 -0.000 0.000 0.212 124 K C 2.308 178.905 176.600 -0.006 0.000 1.050 124 K CA 2.351 58.636 56.287 -0.005 0.000 0.929 124 K CB -0.470 32.027 32.500 -0.006 0.000 0.714 124 K HN 0.380 nan 8.250 nan 0.000 0.443 125 K N 0.144 120.539 120.400 -0.009 0.000 2.152 125 K HA -0.115 4.205 4.320 -0.000 0.000 0.206 125 K C 1.757 178.352 176.600 -0.008 0.000 1.048 125 K CA 1.665 57.946 56.287 -0.009 0.000 0.933 125 K CB -0.326 32.168 32.500 -0.011 0.000 0.721 125 K HN 0.323 nan 8.250 nan 0.000 0.447 126 S N -1.137 114.557 115.700 -0.010 0.000 2.547 126 S HA 0.024 4.494 4.470 -0.000 0.000 0.235 126 S C 1.296 175.892 174.600 -0.006 0.000 0.980 126 S CA 0.856 59.050 58.200 -0.009 0.000 0.941 126 S CB -0.132 63.060 63.200 -0.012 0.000 0.763 126 S HN 0.598 nan 8.310 nan 0.000 0.532 127 G N -0.602 108.196 108.800 -0.004 0.000 2.192 127 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.193 127 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.193 127 G C -0.115 174.787 174.900 0.004 0.000 0.999 127 G CA -0.170 44.930 45.100 -0.000 0.000 0.659 127 G HN 0.652 nan 8.290 nan 0.000 0.503 128 V N 2.080 121.997 119.914 0.004 0.000 2.364 128 V HA 0.418 4.538 4.120 -0.000 0.000 0.272 128 V C 0.605 176.711 176.094 0.019 0.000 1.036 128 V CA -0.328 61.979 62.300 0.012 0.000 0.880 128 V CB 1.435 33.264 31.823 0.009 0.000 0.991 128 V HN 0.306 nan 8.190 nan 0.000 0.460 129 N N 3.429 122.145 118.700 0.026 0.000 2.227 129 N HA 0.119 4.859 4.740 -0.000 0.000 0.196 129 N C 0.188 175.729 175.510 0.051 0.000 1.142 129 N CA 0.112 53.181 53.050 0.031 0.000 0.887 129 N CB 1.267 39.765 38.487 0.019 0.000 1.022 129 N HN 0.754 nan 8.380 nan 0.000 0.500 130 Q N 0.419 120.254 119.800 0.058 0.000 2.386 130 Q HA 0.443 4.783 4.340 -0.000 0.000 0.274 130 Q C -1.920 174.133 176.000 0.089 0.000 1.011 130 Q CA -0.419 55.431 55.803 0.079 0.000 0.867 130 Q CB 1.897 30.664 28.738 0.049 0.000 1.409 130 Q HN 0.001 nan 8.270 nan 0.000 0.395 131 I N 2.854 123.507 120.570 0.138 0.000 2.382 131 I HA 0.214 4.384 4.170 -0.000 0.000 0.285 131 I C -0.841 175.357 176.117 0.135 0.000 1.007 131 I CA -0.548 60.829 61.300 0.129 0.000 1.142 131 I CB 1.655 39.746 38.000 0.151 0.000 1.289 131 I HN 0.555 nan 8.210 nan 0.000 0.453 132 D N 6.039 126.490 120.400 0.086 0.000 2.563 132 D HA 0.570 5.210 4.640 -0.000 0.000 0.222 132 D C 0.201 176.544 176.300 0.072 0.000 1.145 132 D CA 0.354 54.397 54.000 0.072 0.000 1.001 132 D CB 0.216 41.043 40.800 0.046 0.000 1.049 132 D HN 0.759 nan 8.370 nan 0.000 0.515 133 G N 1.891 110.752 108.800 0.101 0.000 2.351 133 G HA2 0.041 4.001 3.960 -0.000 0.000 0.279 133 G HA3 0.041 4.001 3.960 -0.000 0.000 0.279 133 G C -1.133 173.839 174.900 0.120 0.000 1.297 133 G CA -1.071 44.081 45.100 0.087 0.000 0.886 133 G HN 0.398 nan 8.290 nan 0.000 0.493 134 N N -1.521 117.223 118.700 0.074 0.000 2.482 134 N HA 0.592 5.332 4.740 -0.000 0.000 0.279 134 N C -0.778 174.709 175.510 -0.037 0.000 1.182 134 N CA -0.623 52.459 53.050 0.054 0.000 0.969 134 N CB 2.520 41.032 38.487 0.041 0.000 1.201 134 N HN 0.316 nan 8.380 nan 0.000 0.523 135 V N 2.233 122.069 119.914 -0.129 0.000 2.357 135 V HA 0.317 4.437 4.120 -0.000 0.000 0.284 135 V C -0.372 175.658 176.094 -0.106 0.000 1.018 135 V CA -0.604 61.568 62.300 -0.213 0.000 0.841 135 V CB 0.632 32.164 31.823 -0.485 0.000 0.991 135 V HN 0.434 nan 8.190 nan 0.000 0.437 136 L N 5.719 126.908 121.223 -0.058 0.000 2.282 136 L HA 0.546 4.886 4.340 -0.000 0.000 0.288 136 L C -0.503 176.382 176.870 0.025 0.000 1.033 136 L CA -0.621 54.214 54.840 -0.009 0.000 0.807 136 L CB 1.596 43.656 42.059 0.002 0.000 1.209 136 L HN 0.405 nan 8.230 nan 0.000 0.423 137 I N 2.898 123.498 120.570 0.050 0.000 2.287 137 I HA 0.151 4.321 4.170 -0.000 0.000 0.290 137 I C -0.037 176.149 176.117 0.116 0.000 1.069 137 I CA -0.002 61.369 61.300 0.118 0.000 1.237 137 I CB 0.732 38.767 38.000 0.057 0.000 1.418 137 I HN 0.555 nan 8.210 nan 0.000 0.481 138 D N 5.437 125.937 120.400 0.167 0.000 2.317 138 D HA 0.199 4.839 4.640 -0.000 0.000 0.234 138 D C 0.715 177.097 176.300 0.136 0.000 1.112 138 D CA -0.083 53.983 54.000 0.111 0.000 0.840 138 D CB 1.365 42.204 40.800 0.066 0.000 1.078 138 D HN 0.586 nan 8.370 nan 0.000 0.486 139 T N -0.491 114.107 114.554 0.074 0.000 3.182 139 T HA 0.037 4.387 4.350 -0.000 0.000 0.277 139 T C 1.469 176.179 174.700 0.017 0.000 1.013 139 T CA 0.036 62.159 62.100 0.039 0.000 0.900 139 T CB -0.232 68.652 68.868 0.027 0.000 1.098 139 T HN 0.208 nan 8.240 nan 0.000 0.543 140 S N 1.054 116.767 115.700 0.021 0.000 2.500 140 S HA -0.074 4.396 4.470 -0.000 0.000 0.239 140 S C 1.758 176.365 174.600 0.012 0.000 0.989 140 S CA 0.377 58.595 58.200 0.030 0.000 0.951 140 S CB -0.774 62.447 63.200 0.034 0.000 0.759 140 S HN 0.440 nan 8.310 nan 0.000 0.523 141 I N 0.431 120.950 120.570 -0.085 0.000 2.423 141 I HA 0.120 4.290 4.170 -0.000 0.000 0.254 141 I C 0.365 176.494 176.117 0.019 0.000 1.151 141 I CA 0.975 62.132 61.300 -0.237 0.000 1.421 141 I CB -0.119 37.609 38.000 -0.455 0.000 1.079 141 I HN 0.365 nan 8.210 nan 0.000 0.431 142 F N -0.754 119.148 119.950 -0.080 0.000 2.598 142 F HA 0.668 5.195 4.527 -0.000 0.000 0.327 142 F C 0.238 176.015 175.800 -0.038 0.000 1.057 142 F CA -0.917 57.042 58.000 -0.069 0.000 0.957 142 F CB 1.443 40.399 39.000 -0.073 0.000 1.278 142 F HN -0.154 nan 8.300 nan 0.000 0.484 143 A N 1.048 123.950 122.820 0.137 0.000 2.564 143 A HA 0.727 5.047 4.320 -0.000 0.000 0.288 143 A C -0.224 177.357 177.584 -0.006 0.000 1.164 143 A CA -0.088 51.983 52.037 0.057 0.000 0.712 143 A CB 1.355 20.377 19.000 0.037 0.000 1.303 143 A HN 1.008 nan 8.150 nan 0.000 0.418 144 S N -1.089 114.587 115.700 -0.040 0.000 3.633 144 S HA -0.151 4.319 4.470 -0.000 0.000 0.637 144 S C -0.115 174.451 174.600 -0.057 0.000 2.289 144 S CA 0.421 58.541 58.200 -0.133 0.000 2.476 144 S CB -1.399 61.744 63.200 -0.095 0.000 0.330 144 S HN 1.325 nan 8.310 nan 0.000 1.787 145 H N 1.579 120.730 119.070 0.134 0.000 2.815 145 H HA 0.136 4.692 4.556 -0.000 0.000 0.350 145 H C 0.720 176.218 175.328 0.284 0.000 1.080 145 H CA 0.381 56.524 56.048 0.158 0.000 1.433 145 H CB 0.155 29.978 29.762 0.102 0.000 1.432 145 H HN 0.520 nan 8.280 nan 0.000 0.592 146 D N 2.153 122.774 120.400 0.369 0.000 2.324 146 D HA 0.023 4.663 4.640 -0.000 0.000 0.235 146 D C -0.014 176.542 176.300 0.426 0.000 1.095 146 D CA 0.642 54.877 54.000 0.391 0.000 0.871 146 D CB 0.492 41.464 40.800 0.286 0.000 0.906 146 D HN 0.387 nan 8.370 nan 0.000 0.522 147 K N 0.346 120.853 120.400 0.179 0.000 2.397 147 K HA 0.599 4.919 4.320 -0.000 0.000 0.253 147 K C -0.578 175.224 176.600 -1.330 0.000 0.932 147 K CA -0.649 55.329 56.287 -0.515 0.000 0.795 147 K CB 2.771 35.148 32.500 -0.206 0.000 1.159 147 K HN -0.144 nan 8.250 nan 0.000 0.424 148 A N 3.534 124.623 122.820 -2.885 0.000 2.351 148 A HA 0.412 4.732 4.320 -0.000 0.000 0.257 148 A C -2.228 174.434 177.584 -1.536 0.000 1.087 148 A CA -1.268 49.076 52.037 -2.822 0.000 0.798 148 A CB -0.384 16.869 19.000 -2.912 0.000 1.033 148 A HN 0.419 nan 8.150 nan 0.000 0.488 149 P HA 0.253 nan 4.420 nan 0.000 0.268 149 P C 0.802 177.687 177.300 -0.693 0.000 1.204 149 P CA 1.544 64.329 63.100 -0.526 0.000 0.768 149 P CB 0.692 32.286 31.700 -0.176 0.000 0.842 150 G N 1.023 109.378 108.800 -0.742 0.000 2.176 150 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.232 150 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.232 150 G C -0.579 174.187 174.900 -0.224 0.000 0.986 150 G CA -0.670 43.864 45.100 -0.942 0.000 0.643 150 G HN 0.334 nan 8.290 nan 0.000 0.522 151 W N 1.836 122.914 121.300 -0.371 0.000 2.311 151 W HA 0.573 5.233 4.660 -0.000 0.000 0.310 151 W C -1.901 174.514 176.519 -0.173 0.000 1.274 151 W CA -2.734 54.457 57.345 -0.256 0.000 1.215 151 W CB -0.017 29.285 29.460 -0.263 0.000 1.227 151 W HN -0.004 nan 8.180 nan 0.000 0.523 152 P HA -0.124 nan 4.420 nan 0.000 0.264 152 P C 1.300 178.565 177.300 -0.059 0.000 1.193 152 P CA -0.001 63.089 63.100 -0.017 0.000 0.763 152 P CB 0.322 31.960 31.700 -0.104 0.000 0.810 153 W N 5.476 126.771 121.300 -0.010 0.000 2.350 153 W HA -0.239 4.421 4.660 -0.000 0.000 0.289 153 W C 0.683 177.187 176.519 -0.025 0.000 1.215 153 W CA 1.606 58.940 57.345 -0.017 0.000 1.236 153 W CB -1.603 27.841 29.460 -0.027 0.000 1.130 153 W HN 0.413 nan 8.180 nan 0.000 0.541 154 N N 0.281 117.975 118.700 -1.676 0.000 2.396 154 N HA -0.168 4.572 4.740 -0.000 0.000 0.180 154 N C 0.939 175.977 175.510 -0.787 0.000 1.028 154 N CA 1.587 53.530 53.050 -1.846 0.000 0.893 154 N CB -0.613 37.002 38.487 -1.452 0.000 0.967 154 N HN -0.074 nan 8.380 nan 0.000 0.440 155 D N -0.368 119.717 120.400 -0.525 0.000 2.339 155 D HA 0.037 4.677 4.640 -0.000 0.000 0.217 155 D C 1.103 177.140 176.300 -0.439 0.000 1.050 155 D CA 0.082 53.829 54.000 -0.422 0.000 0.856 155 D CB 0.082 40.671 40.800 -0.351 0.000 0.922 155 D HN 0.255 nan 8.370 nan 0.000 0.518 156 M N 0.557 119.986 119.600 -0.286 0.000 2.446 156 M HA -0.090 4.390 4.480 -0.000 0.000 0.263 156 M C 1.720 177.954 176.300 -0.109 0.000 1.066 156 M CA 1.131 56.342 55.300 -0.149 0.000 1.087 156 M CB -0.322 32.287 32.600 0.015 0.000 1.406 156 M HN -0.034 nan 8.290 nan 0.000 0.459 157 T N -3.079 111.414 114.554 -0.102 0.000 3.081 157 T HA 0.155 4.505 4.350 -0.000 0.000 0.250 157 T C 0.761 175.449 174.700 -0.020 0.000 1.100 157 T CA -0.198 61.913 62.100 0.020 0.000 1.038 157 T CB -0.051 68.858 68.868 0.069 0.000 0.962 157 T HN 0.231 nan 8.240 nan 0.000 0.516 158 Q N 0.202 119.867 119.800 -0.224 0.000 2.293 158 Q HA 0.265 4.605 4.340 -0.000 0.000 0.251 158 Q C 0.847 176.612 176.000 -0.390 0.000 0.930 158 Q CA -0.315 55.300 55.803 -0.313 0.000 0.893 158 Q CB 1.409 29.853 28.738 -0.489 0.000 1.215 158 Q HN 0.305 nan 8.270 nan 0.000 0.425 159 c N 1.611 120.063 118.600 -0.247 0.000 2.411 159 c HA -0.181 4.389 4.570 -0.000 0.000 0.279 159 c C 2.310 176.302 174.090 -0.163 0.000 1.288 159 c CA 0.670 56.890 56.329 -0.183 0.000 1.764 159 c CB -1.294 41.135 42.510 -0.135 0.000 1.974 159 c HN 0.921 nan 8.230 nan 0.000 0.498 160 F N 0.589 120.454 119.950 -0.142 0.000 2.451 160 F HA 0.022 4.549 4.527 -0.000 0.000 0.299 160 F C 1.922 177.585 175.800 -0.229 0.000 1.101 160 F CA 1.346 59.249 58.000 -0.162 0.000 1.436 160 F CB -0.713 38.186 39.000 -0.168 0.000 1.074 160 F HN 0.105 nan 8.300 nan 0.000 0.553 161 S N 0.216 115.431 115.700 -0.808 0.000 2.664 161 S HA 0.599 5.069 4.470 -0.000 0.000 0.245 161 S C 0.630 175.003 174.600 -0.380 0.000 1.019 161 S CA -0.219 57.542 58.200 -0.732 0.000 0.996 161 S CB -1.044 61.568 63.200 -0.979 0.000 0.878 161 S HN 0.534 nan 8.310 nan 0.000 0.493 162 A N 2.992 125.680 122.820 -0.220 0.000 2.546 162 A HA 0.384 4.704 4.320 -0.000 0.000 0.243 162 A C -2.469 175.173 177.584 0.097 0.000 1.063 162 A CA -0.726 51.280 52.037 -0.050 0.000 0.757 162 A CB -0.411 18.572 19.000 -0.029 0.000 0.991 162 A HN 0.364 nan 8.150 nan 0.000 0.503 163 P HA 0.076 nan 4.420 nan 0.000 0.258 163 P C -2.310 175.173 177.300 0.306 0.000 1.187 163 P CA -0.443 62.861 63.100 0.340 0.000 0.767 163 P CB 0.077 31.926 31.700 0.250 0.000 0.770 164 P HA 0.123 nan 4.420 nan 0.000 0.237 164 P C -0.185 177.315 177.300 0.332 0.000 1.788 164 P CA 0.076 63.379 63.100 0.339 0.000 1.061 164 P CB -0.007 31.949 31.700 0.426 0.000 1.967 165 A N 2.649 125.623 122.820 0.257 0.000 2.280 165 A HA 0.512 4.832 4.320 -0.000 0.000 0.268 165 A C 1.750 179.464 177.584 0.217 0.000 1.111 165 A CA 0.163 52.350 52.037 0.250 0.000 0.814 165 A CB 0.042 19.130 19.000 0.146 0.000 1.093 165 A HN 0.343 nan 8.150 nan 0.000 0.498 166 A N -0.370 122.537 122.820 0.145 0.000 2.015 166 A HA 0.378 4.698 4.320 -0.000 0.000 0.219 166 A C 1.339 178.900 177.584 -0.038 0.000 1.163 166 A CA 1.538 53.494 52.037 -0.136 0.000 0.646 166 A CB -0.625 18.225 19.000 -0.250 0.000 0.806 166 A HN 1.817 nan 8.150 nan 0.000 0.448 167 A N 0.306 123.067 122.820 -0.098 0.000 2.341 167 A HA 0.639 4.959 4.320 -0.000 0.000 0.326 167 A C -0.400 177.105 177.584 -0.131 0.000 1.402 167 A CA -0.303 51.529 52.037 -0.340 0.000 0.957 167 A CB -0.244 18.316 19.000 -0.733 0.000 1.151 167 A HN 0.316 nan 8.150 nan 0.000 0.533 168 I N 2.652 123.234 120.570 0.019 0.000 2.465 168 I HA 0.501 4.671 4.170 -0.000 0.000 0.291 168 I C -0.911 175.307 176.117 0.169 0.000 1.014 168 I CA -0.894 60.460 61.300 0.090 0.000 1.093 168 I CB 2.318 40.364 38.000 0.076 0.000 1.267 168 I HN 0.266 nan 8.210 nan 0.000 0.431 169 V N 4.300 124.349 119.914 0.226 0.000 2.569 169 V HA 0.292 4.412 4.120 -0.000 0.000 0.301 169 V C -0.609 175.662 176.094 0.295 0.000 1.044 169 V CA -0.701 61.760 62.300 0.267 0.000 0.874 169 V CB 1.632 33.630 31.823 0.293 0.000 1.002 169 V HN 0.840 nan 8.190 nan 0.000 0.424 170 D N 4.032 124.562 120.400 0.217 0.000 2.689 170 D HA -0.197 4.443 4.640 -0.000 0.000 0.237 170 D C 1.090 177.499 176.300 0.182 0.000 1.148 170 D CA 1.099 55.226 54.000 0.211 0.000 0.656 170 D CB -0.521 40.451 40.800 0.288 0.000 1.050 170 D HN 0.901 nan 8.370 nan 0.000 0.426 171 R N -1.538 119.039 120.500 0.129 0.000 4.000 171 R HA -0.276 4.064 4.340 -0.000 0.000 0.362 171 R C 0.081 176.418 176.300 0.061 0.000 1.183 171 R CA 0.900 57.049 56.100 0.082 0.000 1.011 171 R CB -1.677 28.660 30.300 0.062 0.000 1.501 171 R HN 0.315 nan 8.270 nan 0.000 0.553 172 N N -1.408 117.337 118.700 0.075 0.000 2.727 172 N HA -0.188 4.552 4.740 -0.000 0.000 0.249 172 N C -0.795 174.681 175.510 -0.058 0.000 1.048 172 N CA 1.533 54.551 53.050 -0.053 0.000 0.714 172 N CB -1.211 37.249 38.487 -0.045 0.000 0.959 172 N HN 0.514 nan 8.380 nan 0.000 0.544 173 c N 1.085 119.688 118.600 0.004 0.000 2.609 173 c HA 0.865 5.435 4.570 -0.000 0.000 0.313 173 c C -0.864 173.204 174.090 -0.037 0.000 1.175 173 c CA -0.902 55.388 56.329 -0.064 0.000 1.434 173 c CB 0.260 42.726 42.510 -0.073 0.000 2.005 173 c HN 0.334 nan 8.230 nan 0.000 0.471 174 F N 3.457 123.182 119.950 -0.374 0.000 2.643 174 F HA 0.880 5.407 4.527 -0.000 0.000 0.314 174 F C -0.388 175.076 175.800 -0.561 0.000 1.096 174 F CA -0.465 57.084 58.000 -0.752 0.000 0.953 174 F CB 1.170 39.378 39.000 -1.321 0.000 1.345 174 F HN 0.613 nan 8.300 nan 0.000 0.468 175 S N 0.878 116.334 115.700 -0.407 0.000 2.638 175 S HA 0.934 5.404 4.470 -0.000 0.000 0.302 175 S C -1.487 173.074 174.600 -0.065 0.000 1.096 175 S CA -0.780 57.239 58.200 -0.302 0.000 0.953 175 S CB 1.913 65.027 63.200 -0.143 0.000 1.107 175 S HN 0.909 nan 8.310 nan 0.000 0.503 176 V N 0.582 120.423 119.914 -0.122 0.000 3.087 176 V HA 0.651 4.771 4.120 -0.000 0.000 0.306 176 V C -0.881 175.189 176.094 -0.040 0.000 1.187 176 V CA -0.575 61.728 62.300 0.006 0.000 0.999 176 V CB 2.667 34.524 31.823 0.058 0.000 1.049 176 V HN 1.031 nan 8.190 nan 0.000 0.431 177 S N 3.286 119.007 115.700 0.035 0.000 2.478 177 S HA 0.679 5.149 4.470 -0.000 0.000 0.312 177 S C -0.947 173.630 174.600 -0.038 0.000 1.094 177 S CA -0.342 57.827 58.200 -0.051 0.000 1.081 177 S CB 1.365 64.565 63.200 0.001 0.000 1.007 177 S HN 0.527 nan 8.310 nan 0.000 0.475 178 L N 4.736 125.851 121.223 -0.179 0.000 2.265 178 L HA 0.540 4.880 4.340 -0.000 0.000 0.289 178 L C -1.751 174.901 176.870 -0.363 0.000 1.033 178 L CA -0.288 54.464 54.840 -0.147 0.000 0.814 178 L CB 0.178 42.190 42.059 -0.078 0.000 1.203 178 L HN 0.573 nan 8.230 nan 0.000 0.423 179 Y N 2.872 122.902 120.300 -0.449 0.000 2.331 179 Y HA 0.446 4.996 4.550 -0.000 0.000 0.338 179 Y C 0.836 176.366 175.900 -0.617 0.000 0.992 179 Y CA -0.522 57.180 58.100 -0.663 0.000 1.121 179 Y CB 1.492 39.137 38.460 -1.358 0.000 1.184 179 Y HN 0.708 nan 8.280 nan 0.000 0.469 180 S N 1.823 117.404 115.700 -0.197 0.000 2.568 180 S HA 0.535 5.005 4.470 -0.000 0.000 0.282 180 S C 0.253 174.849 174.600 -0.006 0.000 1.338 180 S CA -0.830 57.320 58.200 -0.084 0.000 1.045 180 S CB 0.827 64.009 63.200 -0.031 0.000 0.873 180 S HN 0.813 nan 8.310 nan 0.000 0.516 181 A N 3.024 125.906 122.820 0.103 0.000 2.388 181 A HA 0.539 4.859 4.320 -0.000 0.000 0.257 181 A C -1.200 176.479 177.584 0.159 0.000 1.095 181 A CA -1.732 50.444 52.037 0.232 0.000 0.791 181 A CB -0.393 18.734 19.000 0.212 0.000 1.029 181 A HN 0.681 nan 8.150 nan 0.000 0.489 182 P HA -0.125 nan 4.420 nan 0.000 0.216 182 P C 0.027 177.375 177.300 0.079 0.000 1.153 182 P CA 1.322 64.488 63.100 0.111 0.000 0.858 182 P CB 0.119 31.881 31.700 0.102 0.000 0.789 183 K N 0.586 121.033 120.400 0.078 0.000 2.267 183 K HA 0.224 4.543 4.320 -0.000 0.000 0.282 183 K C -2.313 174.324 176.600 0.061 0.000 1.078 183 K CA -2.345 53.977 56.287 0.059 0.000 0.903 183 K CB 0.460 32.991 32.500 0.051 0.000 1.111 183 K HN 0.056 nan 8.250 nan 0.000 0.475 184 P HA -0.070 nan 4.420 nan 0.000 0.266 184 P C 0.644 177.970 177.300 0.043 0.000 1.195 184 P CA 0.723 63.850 63.100 0.044 0.000 0.768 184 P CB 0.932 32.652 31.700 0.034 0.000 0.838 185 G N 1.855 110.681 108.800 0.044 0.000 2.258 185 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.233 185 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.233 185 G C -0.094 174.837 174.900 0.052 0.000 1.006 185 G CA -0.143 44.983 45.100 0.043 0.000 0.620 185 G HN 0.529 nan 8.290 nan 0.000 0.511 186 D N 0.551 120.990 120.400 0.064 0.000 2.283 186 D HA 0.465 5.105 4.640 -0.000 0.000 0.248 186 D C 0.915 177.277 176.300 0.102 0.000 1.072 186 D CA -0.442 53.607 54.000 0.081 0.000 0.929 186 D CB 0.785 41.639 40.800 0.090 0.000 1.182 186 D HN 0.281 nan 8.370 nan 0.000 0.433 187 M N 1.584 121.254 119.600 0.117 0.000 2.284 187 M HA 0.118 4.598 4.480 -0.000 0.000 0.351 187 M C -0.080 176.338 176.300 0.197 0.000 1.443 187 M CA -0.200 55.184 55.300 0.140 0.000 1.031 187 M CB 0.318 33.003 32.600 0.142 0.000 1.893 187 M HN 0.405 nan 8.290 nan 0.000 0.456 188 A N 5.862 128.768 122.820 0.143 0.000 2.483 188 A HA 0.399 4.719 4.320 -0.000 0.000 0.238 188 A C -0.623 177.069 177.584 0.180 0.000 1.070 188 A CA -0.182 51.913 52.037 0.097 0.000 0.770 188 A CB -0.102 18.911 19.000 0.022 0.000 1.008 188 A HN 0.814 nan 8.150 nan 0.000 0.497 189 F N -0.314 119.720 119.950 0.140 0.000 2.561 189 F HA 0.803 5.330 4.527 -0.000 0.000 0.321 189 F C -0.680 175.233 175.800 0.189 0.000 1.065 189 F CA -1.537 56.541 58.000 0.129 0.000 0.934 189 F CB 1.173 40.215 39.000 0.069 0.000 1.215 189 F HN 0.324 nan 8.300 nan 0.000 0.471 190 I N 3.752 124.527 120.570 0.341 0.000 2.354 190 I HA 0.434 4.604 4.170 -0.000 0.000 0.292 190 I C -0.432 175.850 176.117 0.275 0.000 0.989 190 I CA -0.886 60.568 61.300 0.256 0.000 1.188 190 I CB 1.275 39.386 38.000 0.185 0.000 1.342 190 I HN 0.505 nan 8.210 nan 0.000 0.457 191 R N 5.414 126.096 120.500 0.303 0.000 2.393 191 R HA 0.671 5.011 4.340 -0.000 0.000 0.310 191 R C -1.002 175.408 176.300 0.185 0.000 0.968 191 R CA -0.758 55.487 56.100 0.241 0.000 0.867 191 R CB 2.335 32.818 30.300 0.306 0.000 1.124 191 R HN 0.438 nan 8.270 nan 0.000 0.450 192 V N 1.357 121.353 119.914 0.137 0.000 2.760 192 V HA 0.614 4.734 4.120 -0.000 0.000 0.309 192 V C -0.458 175.684 176.094 0.081 0.000 1.077 192 V CA -0.824 61.560 62.300 0.140 0.000 0.910 192 V CB 2.013 33.915 31.823 0.132 0.000 1.008 192 V HN 0.937 nan 8.190 nan 0.000 0.424 193 A N 4.215 127.076 122.820 0.068 0.000 2.540 193 A HA 0.348 4.668 4.320 -0.000 0.000 0.239 193 A C 1.453 178.880 177.584 -0.262 0.000 1.061 193 A CA 0.703 52.664 52.037 -0.128 0.000 0.758 193 A CB 0.282 19.073 19.000 -0.347 0.000 0.991 193 A HN 1.873 nan 8.150 nan 0.000 0.502 194 S N 1.721 117.328 115.700 -0.156 0.000 2.447 194 S HA -0.199 4.271 4.470 -0.000 0.000 0.233 194 S C 1.453 175.930 174.600 -0.206 0.000 1.006 194 S CA 1.434 59.558 58.200 -0.127 0.000 0.957 194 S CB -0.781 62.389 63.200 -0.050 0.000 0.773 194 S HN 1.059 nan 8.310 nan 0.000 0.507 195 Y N -0.170 119.969 120.300 -0.268 0.000 2.395 195 Y HA 0.338 4.888 4.550 -0.000 0.000 0.293 195 Y C 0.310 176.030 175.900 -0.300 0.000 1.123 195 Y CA -0.932 56.934 58.100 -0.389 0.000 1.227 195 Y CB -0.983 37.217 38.460 -0.434 0.000 1.012 195 Y HN 0.101 nan 8.280 nan 0.000 0.552 196 Y N 5.139 125.002 120.300 -0.728 0.000 2.713 196 Y HA 0.180 4.730 4.550 -0.000 0.000 0.341 196 Y C -2.099 173.622 175.900 -0.298 0.000 1.167 196 Y CA -3.454 54.381 58.100 -0.442 0.000 1.503 196 Y CB -0.066 38.137 38.460 -0.428 0.000 1.199 196 Y HN 0.131 nan 8.280 nan 0.000 0.525 197 P HA 0.095 nan 4.420 nan 0.000 0.231 197 P C -0.736 176.563 177.300 -0.003 0.000 1.811 197 P CA 0.153 63.199 63.100 -0.090 0.000 1.051 197 P CB -0.178 31.427 31.700 -0.158 0.000 1.951 198 V N -0.841 119.023 119.914 -0.083 0.000 3.074 198 V HA 0.766 4.886 4.120 -0.000 0.000 0.314 198 V C -0.393 175.655 176.094 -0.077 0.000 1.117 198 V CA -0.794 61.444 62.300 -0.104 0.000 1.014 198 V CB 2.021 33.550 31.823 -0.490 0.000 1.057 198 V HN 0.061 nan 8.190 nan 0.000 0.438 199 T N 5.017 119.561 114.554 -0.017 0.000 2.791 199 T HA 0.623 4.972 4.350 -0.000 0.000 0.288 199 T C -0.409 174.183 174.700 -0.181 0.000 0.999 199 T CA -0.376 61.641 62.100 -0.140 0.000 0.952 199 T CB 0.947 69.736 68.868 -0.131 0.000 0.938 199 T HN 0.638 nan 8.240 nan 0.000 0.444 200 M N 3.855 123.291 119.600 -0.273 0.000 2.238 200 M HA 0.546 5.026 4.480 -0.000 0.000 0.350 200 M C -0.971 175.082 176.300 -0.411 0.000 1.138 200 M CA -0.824 54.382 55.300 -0.157 0.000 1.040 200 M CB 0.595 33.199 32.600 0.007 0.000 1.639 200 M HN 0.484 nan 8.290 nan 0.000 0.451 201 F N 0.216 120.238 119.950 0.121 0.000 2.551 201 F HA 0.490 5.017 4.527 -0.000 0.000 0.316 201 F C 0.412 176.272 175.800 0.100 0.000 1.089 201 F CA -0.777 57.280 58.000 0.095 0.000 0.915 201 F CB 2.062 41.104 39.000 0.070 0.000 1.186 201 F HN 0.503 nan 8.300 nan 0.000 0.456 202 S N 1.787 117.656 115.700 0.281 0.000 2.449 202 S HA 0.376 4.846 4.470 -0.000 0.000 0.310 202 S C -0.385 174.318 174.600 0.171 0.000 1.096 202 S CA -0.422 57.900 58.200 0.203 0.000 1.095 202 S CB 1.062 64.373 63.200 0.186 0.000 1.007 202 S HN 0.785 nan 8.310 nan 0.000 0.474 203 Q N 3.111 122.990 119.800 0.132 0.000 2.141 203 Q HA 0.295 4.635 4.340 -0.000 0.000 0.248 203 Q C -0.859 175.191 176.000 0.083 0.000 0.834 203 Q CA -0.222 55.638 55.803 0.095 0.000 1.096 203 Q CB 1.168 29.947 28.738 0.068 0.000 1.189 203 Q HN 0.533 nan 8.270 nan 0.000 0.471 204 V N 1.503 121.473 119.914 0.092 0.000 2.461 204 V HA 0.250 4.370 4.120 -0.000 0.000 0.275 204 V C 0.347 176.484 176.094 0.072 0.000 1.047 204 V CA -0.256 62.090 62.300 0.076 0.000 0.955 204 V CB 1.089 32.956 31.823 0.074 0.000 0.988 204 V HN 0.271 nan 8.190 nan 0.000 0.471 205 R N 2.593 123.128 120.500 0.058 0.000 2.297 205 R HA 0.433 4.773 4.340 -0.000 0.000 0.308 205 R C -0.124 176.204 176.300 0.047 0.000 1.029 205 R CA -0.400 55.733 56.100 0.055 0.000 0.929 205 R CB 1.133 31.461 30.300 0.046 0.000 1.046 205 R HN 0.686 nan 8.270 nan 0.000 0.461 206 T N 4.550 119.134 114.554 0.051 0.000 2.780 206 T HA 0.265 4.615 4.350 -0.000 0.000 0.294 206 T C 0.265 174.986 174.700 0.034 0.000 0.949 206 T CA -0.352 61.773 62.100 0.041 0.000 1.074 206 T CB 0.473 69.372 68.868 0.053 0.000 0.910 206 T HN 0.220 nan 8.240 nan 0.000 0.501 207 L N 5.261 126.498 121.223 0.024 0.000 2.325 207 L HA 0.380 4.720 4.340 -0.000 0.000 0.279 207 L C -2.108 174.773 176.870 0.018 0.000 1.054 207 L CA -2.674 52.178 54.840 0.021 0.000 0.804 207 L CB 1.074 43.142 42.059 0.015 0.000 1.200 207 L HN 0.318 nan 8.230 nan 0.000 0.436 208 P HA -0.039 nan 4.420 nan 0.000 0.258 208 P C 0.027 177.332 177.300 0.009 0.000 1.187 208 P CA -0.019 63.090 63.100 0.015 0.000 0.767 208 P CB 0.177 31.886 31.700 0.015 0.000 0.770 209 R N 2.617 123.121 120.500 0.007 0.000 2.425 209 R HA -0.031 4.309 4.340 -0.000 0.000 0.206 209 R C 1.198 177.497 176.300 -0.003 0.000 1.117 209 R CA 1.065 57.166 56.100 0.000 0.000 1.098 209 R CB -1.017 29.282 30.300 -0.000 0.000 0.843 209 R HN 0.474 nan 8.270 nan 0.000 0.480 210 G N 0.368 109.167 108.800 -0.001 0.000 2.834 210 G HA2 0.022 3.982 3.960 -0.000 0.000 0.204 210 G HA3 0.022 3.982 3.960 -0.000 0.000 0.204 210 G C -0.042 174.856 174.900 -0.004 0.000 1.176 210 G CA -0.328 44.771 45.100 -0.003 0.000 0.818 210 G HN 0.247 nan 8.290 nan 0.000 0.638 211 S N 0.568 116.269 115.700 0.002 0.000 2.563 211 S HA 0.389 4.859 4.470 -0.000 0.000 0.269 211 S C 0.865 175.467 174.600 0.003 0.000 1.364 211 S CA 0.309 58.512 58.200 0.004 0.000 1.010 211 S CB 1.262 64.468 63.200 0.010 0.000 0.877 211 S HN 0.704 nan 8.310 nan 0.000 0.549 212 A N 1.081 123.905 122.820 0.007 0.000 2.833 212 A HA 0.258 4.578 4.320 -0.000 0.000 0.293 212 A C 1.146 178.743 177.584 0.021 0.000 1.338 212 A CA -0.385 51.654 52.037 0.003 0.000 0.959 212 A CB -0.349 18.653 19.000 0.002 0.000 1.094 212 A HN 0.849 nan 8.150 nan 0.000 0.569 213 E N -0.008 120.206 120.200 0.024 0.000 2.274 213 E HA -0.096 4.254 4.350 -0.000 0.000 0.194 213 E C 2.065 178.678 176.600 0.022 0.000 0.996 213 E CA 0.738 57.160 56.400 0.036 0.000 0.840 213 E CB 0.060 29.780 29.700 0.034 0.000 0.772 213 E HN 0.732 nan 8.360 nan 0.000 0.491 214 A N 1.067 123.885 122.820 -0.002 0.000 2.019 214 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 214 A C 2.043 179.589 177.584 -0.064 0.000 1.164 214 A CA 1.205 53.228 52.037 -0.023 0.000 0.644 214 A CB -0.310 18.674 19.000 -0.027 0.000 0.805 214 A HN 0.209 nan 8.150 nan 0.000 0.449 215 Q N -1.694 118.044 119.800 -0.104 0.000 2.016 215 Q HA -0.132 4.208 4.340 -0.000 0.000 0.200 215 Q C 0.877 176.636 176.000 -0.402 0.000 0.978 215 Q CA 1.682 57.315 55.803 -0.284 0.000 0.833 215 Q CB -0.075 28.451 28.738 -0.353 0.000 0.895 215 Q HN 0.803 nan 8.270 nan 0.000 0.427 216 Y N -1.541 118.766 120.300 0.011 0.000 2.531 216 Y HA 0.216 4.766 4.550 -0.000 0.000 0.249 216 Y C 0.074 175.984 175.900 0.017 0.000 1.168 216 Y CA -0.931 57.177 58.100 0.014 0.000 1.226 216 Y CB 1.040 39.508 38.460 0.013 0.000 1.177 216 Y HN 0.120 nan 8.280 nan 0.000 0.527 217 c N 3.148 121.818 118.600 0.117 0.000 2.373 217 c HA 0.267 4.837 4.570 -0.000 0.000 0.354 217 c C 0.296 174.426 174.090 0.066 0.000 1.249 217 c CA -0.517 55.864 56.329 0.086 0.000 1.784 217 c CB -0.979 41.567 42.510 0.060 0.000 2.408 217 c HN 0.266 nan 8.230 nan 0.000 0.542 218 E N 3.238 123.484 120.200 0.076 0.000 2.349 218 E HA 0.274 4.624 4.350 -0.000 0.000 0.262 218 E C -0.655 175.979 176.600 0.056 0.000 1.088 218 E CA -0.482 55.957 56.400 0.065 0.000 0.899 218 E CB 1.390 31.137 29.700 0.079 0.000 1.044 218 E HN 0.636 nan 8.360 nan 0.000 0.420 219 L N 2.683 123.937 121.223 0.050 0.000 2.265 219 L HA 0.313 4.653 4.340 -0.000 0.000 0.289 219 L C -0.909 176.002 176.870 0.069 0.000 1.033 219 L CA -0.073 54.800 54.840 0.055 0.000 0.814 219 L CB 0.728 42.814 42.059 0.044 0.000 1.203 219 L HN 0.226 nan 8.230 nan 0.000 0.423 220 D N 3.119 123.564 120.400 0.075 0.000 2.433 220 D HA 0.435 5.074 4.640 -0.000 0.000 0.236 220 D C -1.144 175.195 176.300 0.065 0.000 1.026 220 D CA -0.179 53.869 54.000 0.080 0.000 0.884 220 D CB 2.917 43.770 40.800 0.088 0.000 1.384 220 D HN 0.314 nan 8.370 nan 0.000 0.477 221 V N 1.381 121.319 119.914 0.039 0.000 2.459 221 V HA 0.508 4.628 4.120 -0.000 0.000 0.295 221 V C -1.120 174.986 176.094 0.020 0.000 1.029 221 V CA -0.370 61.899 62.300 -0.051 0.000 0.874 221 V CB 1.590 33.207 31.823 -0.343 0.000 0.985 221 V HN 0.280 nan 8.190 nan 0.000 0.438 222 V N 9.348 129.279 119.914 0.028 0.000 2.349 222 V HA 0.476 4.596 4.120 -0.000 0.000 0.284 222 V C -2.305 173.769 176.094 -0.034 0.000 1.014 222 V CA -1.477 60.843 62.300 0.033 0.000 0.826 222 V CB 1.748 33.589 31.823 0.030 0.000 1.009 222 V HN 0.858 nan 8.190 nan 0.000 0.431 223 P HA 0.426 nan 4.420 nan 0.000 0.279 223 P C 0.007 177.162 177.300 -0.242 0.000 1.239 223 P CA 0.248 63.135 63.100 -0.355 0.000 0.789 223 P CB 1.918 33.432 31.700 -0.311 0.000 0.933 224 G N 1.325 109.947 108.800 -0.297 0.000 3.013 224 G HA2 0.359 4.319 3.960 -0.000 0.000 0.278 224 G HA3 0.359 4.319 3.960 -0.000 0.000 0.278 224 G C -0.973 173.832 174.900 -0.158 0.000 1.353 224 G CA -0.580 44.424 45.100 -0.159 0.000 1.043 224 G HN 0.325 nan 8.290 nan 0.000 0.523 225 D N -0.132 120.220 120.400 -0.080 0.000 2.400 225 D HA 0.174 4.814 4.640 -0.000 0.000 0.238 225 D C 1.201 177.479 176.300 -0.036 0.000 1.157 225 D CA 0.385 54.356 54.000 -0.049 0.000 0.889 225 D CB 0.867 41.656 40.800 -0.019 0.000 1.199 225 D HN 0.392 nan 8.370 nan 0.000 0.436 226 L N 1.511 122.725 121.223 -0.014 0.000 3.717 226 L HA -0.327 4.013 4.340 -0.000 0.000 0.414 226 L C -0.076 176.804 176.870 0.016 0.000 1.228 226 L CA -0.057 54.794 54.840 0.017 0.000 0.918 226 L CB -1.580 40.500 42.059 0.035 0.000 1.865 226 L HN 0.562 nan 8.230 nan 0.000 0.922 227 N N -1.044 117.635 118.700 -0.034 0.000 2.735 227 N HA -0.168 4.572 4.740 -0.000 0.000 0.248 227 N C 0.319 175.824 175.510 -0.009 0.000 1.083 227 N CA 1.218 54.258 53.050 -0.016 0.000 0.703 227 N CB -0.466 38.109 38.487 0.147 0.000 1.005 227 N HN 0.490 nan 8.380 nan 0.000 0.550 228 R N -0.299 120.125 120.500 -0.126 0.000 2.410 228 R HA 0.581 4.920 4.340 -0.000 0.000 0.288 228 R C -0.148 176.006 176.300 -0.244 0.000 1.051 228 R CA 0.183 56.280 56.100 -0.004 0.000 1.021 228 R CB 0.430 30.806 30.300 0.128 0.000 1.032 228 R HN 0.052 nan 8.270 nan 0.000 0.481 229 F N -0.306 119.696 119.950 0.086 0.000 2.561 229 F HA 0.389 4.916 4.527 -0.000 0.000 0.313 229 F C -0.152 175.717 175.800 0.115 0.000 1.126 229 F CA -0.654 57.368 58.000 0.035 0.000 0.918 229 F CB 2.476 41.445 39.000 -0.051 0.000 1.199 229 F HN 0.267 nan 8.300 nan 0.000 0.444 230 T N 4.604 119.299 114.554 0.236 0.000 2.786 230 T HA 0.522 4.872 4.350 -0.000 0.000 0.283 230 T C -0.733 174.048 174.700 0.134 0.000 0.992 230 T CA -0.519 61.717 62.100 0.226 0.000 0.954 230 T CB 0.966 69.928 68.868 0.157 0.000 0.934 230 T HN 0.110 nan 8.240 nan 0.000 0.440 231 L N 4.380 125.687 121.223 0.141 0.000 2.305 231 L HA 0.602 4.942 4.340 -0.000 0.000 0.281 231 L C 1.020 177.950 176.870 0.099 0.000 1.085 231 L CA 0.048 54.952 54.840 0.105 0.000 0.813 231 L CB 0.767 42.900 42.059 0.124 0.000 1.157 231 L HN 0.887 nan 8.230 nan 0.000 0.436 232 T N -0.561 114.041 114.554 0.080 0.000 2.901 232 T HA 0.925 5.275 4.350 -0.000 0.000 0.293 232 T C 0.081 174.820 174.700 0.064 0.000 1.084 232 T CA -0.124 62.017 62.100 0.068 0.000 1.008 232 T CB 2.054 70.956 68.868 0.056 0.000 1.170 232 T HN 1.125 nan 8.240 nan 0.000 0.509 233 G N -0.239 108.595 108.800 0.057 0.000 2.464 233 G HA2 0.017 3.977 3.960 -0.000 0.000 0.216 233 G HA3 0.017 3.977 3.960 -0.000 0.000 0.216 233 G C -0.566 174.363 174.900 0.049 0.000 1.186 233 G CA -0.337 44.795 45.100 0.053 0.000 1.010 233 G HN 1.373 nan 8.290 nan 0.000 0.585 234 c N -0.783 117.843 118.600 0.044 0.000 2.634 234 c HA 0.842 5.412 4.570 -0.000 0.000 0.313 234 c C -0.317 173.789 174.090 0.025 0.000 1.198 234 c CA -0.389 55.961 56.329 0.035 0.000 1.605 234 c CB 1.013 43.542 42.510 0.032 0.000 2.196 234 c HN 1.061 nan 8.230 nan 0.000 0.486 235 L N 4.032 125.266 121.223 0.019 0.000 2.406 235 L HA 0.625 4.965 4.340 -0.000 0.000 0.272 235 L C -2.748 174.121 176.870 -0.002 0.000 0.980 235 L CA -1.666 53.175 54.840 0.002 0.000 0.831 235 L CB 1.645 43.700 42.059 -0.007 0.000 1.253 235 L HN 0.403 nan 8.230 nan 0.000 0.406 236 P HA 0.123 nan 4.420 nan 0.000 0.271 236 P C -1.070 176.223 177.300 -0.013 0.000 1.216 236 P CA -0.142 62.952 63.100 -0.009 0.000 0.776 236 P CB 0.405 32.096 31.700 -0.016 0.000 0.881 237 Q N 2.545 122.342 119.800 -0.004 0.000 2.283 237 Q HA 0.004 4.344 4.340 -0.000 0.000 0.301 237 Q C 0.281 176.273 176.000 -0.014 0.000 1.063 237 Q CA 0.965 56.767 55.803 -0.002 0.000 0.952 237 Q CB 0.207 28.951 28.738 0.011 0.000 1.166 237 Q HN 0.433 nan 8.270 nan 0.000 0.381 238 R N -0.258 120.228 120.500 -0.023 0.000 2.771 238 R HA 0.347 4.687 4.340 -0.000 0.000 0.274 238 R C 0.440 176.726 176.300 -0.023 0.000 0.987 238 R CA -0.513 55.567 56.100 -0.034 0.000 0.908 238 R CB 0.872 31.134 30.300 -0.062 0.000 1.213 238 R HN 0.603 nan 8.270 nan 0.000 0.468 239 S N -0.206 115.483 115.700 -0.018 0.000 2.436 239 S HA 0.021 4.491 4.470 -0.000 0.000 0.228 239 S C 0.301 174.897 174.600 -0.007 0.000 1.014 239 S CA 0.336 58.536 58.200 0.001 0.000 0.950 239 S CB -0.068 63.133 63.200 0.002 0.000 0.784 239 S HN 0.594 nan 8.310 nan 0.000 0.504 240 E N 2.213 122.383 120.200 -0.051 0.000 2.221 240 E HA 0.482 4.832 4.350 -0.000 0.000 0.268 240 E C -2.883 173.593 176.600 -0.207 0.000 0.933 240 E CA -2.597 53.747 56.400 -0.094 0.000 0.809 240 E CB 1.553 31.203 29.700 -0.082 0.000 1.190 240 E HN 0.208 nan 8.360 nan 0.000 0.406 241 P HA 0.143 nan 4.420 nan 0.000 0.278 241 P C -0.358 176.711 177.300 -0.386 0.000 1.238 241 P CA -0.651 62.064 63.100 -0.641 0.000 0.794 241 P CB 0.640 31.528 31.700 -1.353 0.000 0.955 242 L N 5.245 126.272 121.223 -0.326 0.000 2.315 242 L HA 0.364 4.704 4.340 -0.000 0.000 0.283 242 L C -2.254 174.484 176.870 -0.219 0.000 1.089 242 L CA -2.078 52.632 54.840 -0.217 0.000 0.833 242 L CB 0.132 42.095 42.059 -0.160 0.000 1.170 242 L HN 0.239 nan 8.230 nan 0.000 0.442 243 P HA 0.280 nan 4.420 nan 0.000 0.281 243 P C -1.365 175.785 177.300 -0.250 0.000 1.252 243 P CA -0.172 62.810 63.100 -0.197 0.000 0.778 243 P CB 1.050 32.654 31.700 -0.159 0.000 0.895 244 L N 2.190 123.204 121.223 -0.349 0.000 2.431 244 L HA 0.765 5.105 4.340 -0.000 0.000 0.266 244 L C -0.194 176.170 176.870 -0.843 0.000 0.978 244 L CA -0.962 53.511 54.840 -0.611 0.000 0.822 244 L CB 2.374 44.011 42.059 -0.704 0.000 1.310 244 L HN 0.327 nan 8.230 nan 0.000 0.409 245 A N 2.377 124.635 122.820 -0.937 0.000 2.343 245 A HA 0.918 5.238 4.320 -0.000 0.000 0.316 245 A C -1.411 175.499 177.584 -1.124 0.000 1.104 245 A CA -0.269 51.232 52.037 -0.894 0.000 0.768 245 A CB 0.872 19.576 19.000 -0.493 0.000 1.213 245 A HN 0.439 nan 8.150 nan 0.000 0.456 246 F N 0.622 120.020 119.950 -0.921 0.000 2.577 246 F HA 0.708 5.234 4.527 -0.000 0.000 0.318 246 F C 0.620 175.982 175.800 -0.731 0.000 1.065 246 F CA -0.877 56.598 58.000 -0.875 0.000 0.929 246 F CB 2.134 40.446 39.000 -1.147 0.000 1.237 246 F HN 0.700 nan 8.300 nan 0.000 0.468 247 A N 1.425 124.186 122.820 -0.098 0.000 2.328 247 A HA 0.607 4.927 4.320 -0.000 0.000 0.284 247 A C -0.615 177.103 177.584 0.224 0.000 1.160 247 A CA -0.590 51.444 52.037 -0.005 0.000 0.818 247 A CB 0.254 19.237 19.000 -0.029 0.000 1.087 247 A HN 0.562 nan 8.150 nan 0.000 0.504 248 V N 3.929 123.934 119.914 0.151 0.000 2.529 248 V HA -0.015 4.105 4.120 -0.000 0.000 0.292 248 V C 1.022 177.188 176.094 0.121 0.000 1.028 248 V CA 0.224 62.599 62.300 0.125 0.000 1.074 248 V CB 0.710 32.322 31.823 -0.351 0.000 0.958 248 V HN 1.026 nan 8.190 nan 0.000 0.481 249 Q N 2.142 122.033 119.800 0.152 0.000 2.250 249 Q HA 0.050 4.390 4.340 -0.000 0.000 0.200 249 Q C 0.640 176.675 176.000 0.057 0.000 0.941 249 Q CA 0.596 56.446 55.803 0.078 0.000 0.872 249 Q CB 0.172 28.913 28.738 0.005 0.000 0.965 249 Q HN 0.814 nan 8.270 nan 0.000 0.480 250 D N 0.027 120.454 120.400 0.046 0.000 2.434 250 D HA 0.226 4.866 4.640 -0.000 0.000 0.275 250 D C 0.927 177.263 176.300 0.060 0.000 1.172 250 D CA -0.314 53.716 54.000 0.051 0.000 0.916 250 D CB 0.532 41.358 40.800 0.043 0.000 1.041 250 D HN 0.110 nan 8.370 nan 0.000 0.501 251 G N 1.999 110.824 108.800 0.042 0.000 2.440 251 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 251 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 251 G C 1.463 176.356 174.900 -0.011 0.000 1.154 251 G CA 1.007 46.125 45.100 0.030 0.000 0.767 251 G HN 0.540 nan 8.290 nan 0.000 0.552 252 A N 0.788 123.579 122.820 -0.048 0.000 1.883 252 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 252 A C 2.716 180.276 177.584 -0.041 0.000 1.186 252 A CA 2.421 54.398 52.037 -0.101 0.000 0.624 252 A CB -0.710 18.261 19.000 -0.049 0.000 0.822 252 A HN 0.327 nan 8.150 nan 0.000 0.444 253 S N -2.096 113.622 115.700 0.031 0.000 2.383 253 S HA -0.113 4.357 4.470 -0.000 0.000 0.227 253 S C 1.820 176.479 174.600 0.097 0.000 1.026 253 S CA 1.339 59.574 58.200 0.060 0.000 0.981 253 S CB -0.485 62.758 63.200 0.072 0.000 0.818 253 S HN 0.673 nan 8.310 nan 0.000 0.472 254 Y N 2.255 122.544 120.300 -0.019 0.000 2.133 254 Y HA -0.040 4.510 4.550 -0.000 0.000 0.287 254 Y C 2.457 178.356 175.900 -0.001 0.000 1.134 254 Y CA 1.029 59.130 58.100 0.001 0.000 1.133 254 Y CB -0.808 37.662 38.460 0.017 0.000 0.987 254 Y HN 0.206 nan 8.280 nan 0.000 0.502 255 A N -0.031 122.821 122.820 0.054 0.000 1.902 255 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 255 A C 2.463 180.038 177.584 -0.014 0.000 1.181 255 A CA 1.738 53.739 52.037 -0.062 0.000 0.623 255 A CB -1.695 17.050 19.000 -0.424 0.000 0.818 255 A HN 0.593 nan 8.150 nan 0.000 0.443 256 G N -0.521 108.263 108.800 -0.025 0.000 2.418 256 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.217 256 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.217 256 G C 1.739 176.648 174.900 0.015 0.000 1.158 256 G CA 1.438 46.543 45.100 0.009 0.000 0.771 256 G HN 0.802 nan 8.290 nan 0.000 0.545 257 A N 0.578 123.402 122.820 0.006 0.000 1.933 257 A HA 0.082 4.402 4.320 -0.000 0.000 0.218 257 A C 2.395 179.996 177.584 0.027 0.000 1.175 257 A CA 1.209 53.258 52.037 0.019 0.000 0.628 257 A CB -0.318 18.674 19.000 -0.014 0.000 0.814 257 A HN 0.380 nan 8.150 nan 0.000 0.444 258 I N -0.877 119.669 120.570 -0.039 0.000 2.252 258 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 258 I C 2.409 178.589 176.117 0.105 0.000 1.102 258 I CA 1.115 62.424 61.300 0.016 0.000 1.385 258 I CB -0.222 37.747 38.000 -0.052 0.000 1.064 258 I HN 0.408 nan 8.210 nan 0.000 0.414 259 L N 1.294 122.560 121.223 0.072 0.000 2.042 259 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 259 L C 2.473 179.344 176.870 0.000 0.000 1.076 259 L CA 1.955 56.820 54.840 0.042 0.000 0.749 259 L CB -0.721 41.359 42.059 0.034 0.000 0.893 259 L HN 0.126 nan 8.230 nan 0.000 0.432 260 K N -1.697 118.711 120.400 0.014 0.000 2.032 260 K HA -0.297 4.023 4.320 -0.000 0.000 0.209 260 K C 2.318 179.049 176.600 0.218 0.000 1.048 260 K CA 2.046 58.375 56.287 0.070 0.000 0.927 260 K CB -0.602 32.008 32.500 0.184 0.000 0.712 260 K HN 0.448 nan 8.250 nan 0.000 0.441 261 Y N 1.921 122.274 120.300 0.090 0.000 2.128 261 Y HA -0.215 4.335 4.550 -0.000 0.000 0.284 261 Y C 2.021 177.965 175.900 0.074 0.000 1.154 261 Y CA 1.922 60.073 58.100 0.085 0.000 1.149 261 Y CB -0.052 38.434 38.460 0.045 0.000 0.976 261 Y HN 0.165 nan 8.280 nan 0.000 0.505 262 E N 0.418 120.636 120.200 0.031 0.000 2.106 262 E HA -0.170 4.179 4.350 -0.000 0.000 0.192 262 E C 2.360 178.912 176.600 -0.079 0.000 0.984 262 E CA 1.262 57.621 56.400 -0.069 0.000 0.806 262 E CB -0.514 29.209 29.700 0.038 0.000 0.750 262 E HN 0.558 nan 8.360 nan 0.000 0.458 263 L N 0.762 121.976 121.223 -0.015 0.000 2.017 263 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 263 L C 2.481 179.418 176.870 0.112 0.000 1.073 263 L CA 1.388 56.258 54.840 0.049 0.000 0.745 263 L CB -0.332 41.741 42.059 0.023 0.000 0.894 263 L HN 0.050 nan 8.230 nan 0.000 0.432 264 K N -0.647 119.833 120.400 0.132 0.000 2.097 264 K HA -0.190 4.129 4.320 -0.000 0.000 0.206 264 K C 2.212 178.758 176.600 -0.091 0.000 1.049 264 K CA 1.026 57.344 56.287 0.050 0.000 0.933 264 K CB -0.102 32.420 32.500 0.037 0.000 0.717 264 K HN 0.270 nan 8.250 nan 0.000 0.442 265 Q N -0.062 119.595 119.800 -0.238 0.000 2.167 265 Q HA -0.060 4.280 4.340 -0.000 0.000 0.202 265 Q C 1.844 177.771 176.000 -0.121 0.000 0.970 265 Q CA 1.327 56.980 55.803 -0.251 0.000 0.855 265 Q CB -0.086 28.407 28.738 -0.408 0.000 0.911 265 Q HN 0.306 nan 8.270 nan 0.000 0.438 266 A N -0.539 122.231 122.820 -0.082 0.000 2.238 266 A HA 0.349 4.669 4.320 -0.000 0.000 0.208 266 A C 1.419 178.995 177.584 -0.015 0.000 1.177 266 A CA 0.900 52.913 52.037 -0.040 0.000 0.804 266 A CB -0.220 18.763 19.000 -0.028 0.000 0.823 266 A HN 0.405 nan 8.150 nan 0.000 0.482 267 G N -0.742 108.051 108.800 -0.011 0.000 2.159 267 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.256 267 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.256 267 G C 0.127 175.046 174.900 0.032 0.000 0.977 267 G CA 0.287 45.388 45.100 0.001 0.000 0.652 267 G HN 0.492 nan 8.290 nan 0.000 0.531 268 I N 2.524 123.138 120.570 0.075 0.000 2.416 268 I HA 0.350 4.520 4.170 -0.000 0.000 0.288 268 I C 1.237 177.489 176.117 0.226 0.000 1.051 268 I CA 0.315 61.693 61.300 0.130 0.000 1.375 268 I CB 0.939 39.016 38.000 0.128 0.000 1.407 268 I HN 0.290 nan 8.210 nan 0.000 0.516 269 T N 2.385 117.035 114.554 0.160 0.000 2.944 269 T HA 0.691 5.041 4.350 -0.000 0.000 0.284 269 T C -0.912 173.947 174.700 0.266 0.000 1.010 269 T CA -0.722 61.423 62.100 0.075 0.000 1.025 269 T CB 1.587 70.416 68.868 -0.065 0.000 1.079 269 T HN 0.687 nan 8.240 nan 0.000 0.516 270 W N -0.369 120.930 121.300 -0.002 0.000 3.167 270 W HA 0.609 5.269 4.660 -0.000 0.000 0.324 270 W C 0.408 176.930 176.519 0.005 0.000 1.230 270 W CA -0.506 56.840 57.345 0.003 0.000 1.184 270 W CB 0.907 30.371 29.460 0.007 0.000 1.414 270 W HN 0.686 nan 8.180 nan 0.000 0.551 271 S N 0.384 116.163 115.700 0.133 0.000 2.503 271 S HA 0.385 4.854 4.470 -0.000 0.000 0.215 271 S C 0.837 175.496 174.600 0.098 0.000 1.003 271 S CA 0.432 58.654 58.200 0.036 0.000 0.910 271 S CB -0.112 63.114 63.200 0.044 0.000 0.790 271 S HN 0.843 nan 8.310 nan 0.000 0.514 272 G N 1.608 110.554 108.800 0.244 0.000 2.714 272 G HA2 0.545 4.505 3.960 -0.000 0.000 0.197 272 G HA3 0.545 4.505 3.960 -0.000 0.000 0.197 272 G C -0.085 175.000 174.900 0.308 0.000 1.449 272 G CA 0.219 45.452 45.100 0.222 0.000 1.065 272 G HN 0.614 nan 8.290 nan 0.000 0.575 273 T N -2.940 111.764 114.554 0.250 0.000 2.864 273 T HA 0.607 4.957 4.350 -0.000 0.000 0.289 273 T C -0.573 174.219 174.700 0.154 0.000 1.082 273 T CA -0.888 61.366 62.100 0.257 0.000 1.009 273 T CB 1.431 70.392 68.868 0.156 0.000 1.234 273 T HN 0.212 nan 8.240 nan 0.000 0.526 274 L N 1.783 123.082 121.223 0.127 0.000 2.313 274 L HA 0.480 4.820 4.340 -0.000 0.000 0.282 274 L C -0.484 176.410 176.870 0.039 0.000 1.092 274 L CA -0.234 54.623 54.840 0.028 0.000 0.831 274 L CB 0.324 42.400 42.059 0.028 0.000 1.159 274 L HN 0.628 nan 8.230 nan 0.000 0.442 275 L N 3.840 125.075 121.223 0.020 0.000 2.370 275 L HA 0.536 4.876 4.340 -0.000 0.000 0.266 275 L C 0.131 177.016 176.870 0.024 0.000 1.002 275 L CA -0.778 54.079 54.840 0.028 0.000 0.818 275 L CB 2.747 44.823 42.059 0.030 0.000 1.325 275 L HN 0.516 nan 8.230 nan 0.000 0.418 276 R N 1.678 122.194 120.500 0.027 0.000 2.390 276 R HA 0.222 4.562 4.340 -0.000 0.000 0.291 276 R C -0.604 175.714 176.300 0.030 0.000 1.070 276 R CA -0.236 55.881 56.100 0.028 0.000 1.014 276 R CB 0.923 31.239 30.300 0.027 0.000 1.007 276 R HN 0.578 nan 8.270 nan 0.000 0.466 277 Q N 2.333 122.153 119.800 0.035 0.000 2.394 277 Q HA 0.141 4.481 4.340 -0.000 0.000 0.259 277 Q C -0.025 175.997 176.000 0.037 0.000 1.021 277 Q CA -0.369 55.454 55.803 0.033 0.000 0.805 277 Q CB 1.388 30.145 28.738 0.032 0.000 1.226 277 Q HN 0.842 nan 8.270 nan 0.000 0.476 278 T N -0.126 114.449 114.554 0.034 0.000 3.014 278 T HA 0.191 4.541 4.350 -0.000 0.000 0.250 278 T C 0.417 175.139 174.700 0.037 0.000 1.060 278 T CA 0.030 62.153 62.100 0.037 0.000 1.040 278 T CB 0.361 69.249 68.868 0.034 0.000 0.971 278 T HN 0.507 nan 8.240 nan 0.000 0.497 279 Q N 2.075 121.895 119.800 0.033 0.000 2.235 279 Q HA 0.511 4.850 4.340 -0.000 0.000 0.250 279 Q C -0.066 175.956 176.000 0.036 0.000 0.909 279 Q CA -0.852 54.971 55.803 0.033 0.000 0.910 279 Q CB 2.299 31.053 28.738 0.027 0.000 1.223 279 Q HN 0.451 nan 8.270 nan 0.000 0.432 280 V N 0.811 120.751 119.914 0.043 0.000 2.788 280 V HA 0.177 4.297 4.120 -0.000 0.000 0.307 280 V C -0.391 175.726 176.094 0.037 0.000 1.069 280 V CA -0.167 62.162 62.300 0.048 0.000 1.173 280 V CB -0.069 31.791 31.823 0.062 0.000 0.925 280 V HN 0.984 nan 8.190 nan 0.000 0.492 281 N N 0.956 119.677 118.700 0.034 0.000 2.598 281 N HA 0.371 5.111 4.740 -0.000 0.000 0.263 281 N C -1.232 174.291 175.510 0.023 0.000 1.254 281 N CA -0.921 52.144 53.050 0.025 0.000 0.863 281 N CB 1.450 39.949 38.487 0.021 0.000 1.586 281 N HN 0.611 nan 8.380 nan 0.000 0.491 282 E N 1.316 121.527 120.200 0.018 0.000 2.384 282 E HA 0.200 4.550 4.350 -0.000 0.000 0.266 282 E C -2.020 174.586 176.600 0.010 0.000 1.012 282 E CA -1.319 55.090 56.400 0.015 0.000 0.901 282 E CB 0.182 29.889 29.700 0.012 0.000 0.967 282 E HN 0.510 nan 8.360 nan 0.000 0.435 283 P HA 0.040 nan 4.420 nan 0.000 0.269 283 P C 0.263 177.560 177.300 -0.004 0.000 1.209 283 P CA -0.091 63.008 63.100 -0.001 0.000 0.776 283 P CB 0.766 32.464 31.700 -0.003 0.000 0.876 284 G N 1.342 110.136 108.800 -0.010 0.000 2.509 284 G HA2 0.257 4.217 3.960 -0.000 0.000 0.269 284 G HA3 0.257 4.217 3.960 -0.000 0.000 0.269 284 G C -0.562 174.329 174.900 -0.014 0.000 1.416 284 G CA -0.369 44.724 45.100 -0.011 0.000 1.052 284 G HN 0.426 nan 8.290 nan 0.000 0.542 285 T N 0.602 115.148 114.554 -0.015 0.000 2.779 285 T HA 0.284 4.634 4.350 -0.000 0.000 0.296 285 T C 0.357 175.042 174.700 -0.024 0.000 0.938 285 T CA -0.162 61.928 62.100 -0.017 0.000 1.119 285 T CB 0.950 69.810 68.868 -0.014 0.000 0.891 285 T HN 0.245 nan 8.240 nan 0.000 0.526 286 V N 6.105 126.002 119.914 -0.028 0.000 2.415 286 V HA 0.038 4.158 4.120 -0.000 0.000 0.267 286 V C 1.507 177.580 176.094 -0.035 0.000 1.042 286 V CA 0.077 62.355 62.300 -0.037 0.000 1.000 286 V CB 0.360 32.160 31.823 -0.039 0.000 1.015 286 V HN 0.896 nan 8.190 nan 0.000 0.478 287 V N 2.230 122.120 119.914 -0.039 0.000 3.125 287 V HA 0.636 4.756 4.120 -0.000 0.000 0.249 287 V C 0.766 176.836 176.094 -0.039 0.000 1.113 287 V CA 0.818 63.097 62.300 -0.035 0.000 1.106 287 V CB 0.001 31.805 31.823 -0.031 0.000 0.768 287 V HN 0.831 nan 8.190 nan 0.000 0.468 288 A N 0.364 123.153 122.820 -0.051 0.000 2.549 288 A HA 0.882 5.202 4.320 -0.000 0.000 0.297 288 A C -0.400 177.142 177.584 -0.069 0.000 1.061 288 A CA 0.225 52.229 52.037 -0.055 0.000 0.690 288 A CB 1.811 20.777 19.000 -0.057 0.000 1.287 288 A HN 1.115 nan 8.150 nan 0.000 0.402 289 S N 0.443 116.104 115.700 -0.065 0.000 2.607 289 S HA 0.874 5.344 4.470 -0.000 0.000 0.273 289 S C -1.090 173.472 174.600 -0.064 0.000 1.148 289 S CA -0.766 57.389 58.200 -0.075 0.000 0.833 289 S CB 1.979 65.139 63.200 -0.067 0.000 1.130 289 S HN 1.158 nan 8.310 nan 0.000 0.470 290 K N 0.567 120.926 120.400 -0.068 0.000 2.513 290 K HA 0.482 4.802 4.320 -0.000 0.000 0.251 290 K C -1.574 175.001 176.600 -0.041 0.000 0.939 290 K CA -0.158 56.100 56.287 -0.047 0.000 0.793 290 K CB 1.967 34.442 32.500 -0.041 0.000 1.241 290 K HN 0.785 nan 8.250 nan 0.000 0.431 291 Q N 1.680 121.461 119.800 -0.032 0.000 2.342 291 Q HA 0.410 4.750 4.340 -0.000 0.000 0.267 291 Q C -0.480 175.521 176.000 0.003 0.000 1.038 291 Q CA -1.055 54.729 55.803 -0.032 0.000 0.832 291 Q CB 2.002 30.701 28.738 -0.066 0.000 1.323 291 Q HN 0.888 nan 8.270 nan 0.000 0.448 292 S N 0.727 116.454 115.700 0.044 0.000 2.617 292 S HA 0.512 4.982 4.470 -0.000 0.000 0.259 292 S C 0.381 175.017 174.600 0.060 0.000 1.301 292 S CA -0.559 57.693 58.200 0.087 0.000 0.984 292 S CB 0.701 64.032 63.200 0.220 0.000 0.954 292 S HN 0.711 nan 8.310 nan 0.000 0.572 293 A N 1.452 124.317 122.820 0.076 0.000 2.536 293 A HA 0.415 4.735 4.320 -0.000 0.000 0.234 293 A C -2.253 175.384 177.584 0.088 0.000 1.076 293 A CA -0.843 51.237 52.037 0.072 0.000 0.769 293 A CB -1.317 17.731 19.000 0.080 0.000 1.020 293 A HN 0.719 nan 8.150 nan 0.000 0.508 294 P HA 0.041 nan 4.420 nan 0.000 0.268 294 P C 0.989 178.383 177.300 0.156 0.000 1.208 294 P CA -0.402 62.752 63.100 0.089 0.000 0.777 294 P CB 0.367 32.116 31.700 0.083 0.000 0.875 295 L N 2.732 124.071 121.223 0.194 0.000 2.042 295 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 295 L C 2.209 179.187 176.870 0.180 0.000 1.076 295 L CA 2.009 56.994 54.840 0.242 0.000 0.749 295 L CB -1.382 40.844 42.059 0.279 0.000 0.893 295 L HN 0.509 nan 8.230 nan 0.000 0.432 296 H N -0.627 118.496 119.070 0.088 0.000 2.387 296 H HA -0.156 4.400 4.556 -0.000 0.000 0.299 296 H C 1.592 176.944 175.328 0.039 0.000 1.099 296 H CA 1.934 58.011 56.048 0.047 0.000 1.315 296 H CB 0.159 29.942 29.762 0.035 0.000 1.380 296 H HN 0.430 nan 8.280 nan 0.000 0.513 297 D N 0.383 120.896 120.400 0.189 0.000 2.117 297 D HA -0.101 4.539 4.640 -0.000 0.000 0.198 297 D C 2.643 178.991 176.300 0.080 0.000 0.982 297 D CA 0.550 54.628 54.000 0.130 0.000 0.828 297 D CB -0.326 40.543 40.800 0.115 0.000 0.967 297 D HN 0.352 nan 8.370 nan 0.000 0.464 298 L N 0.194 121.483 121.223 0.109 0.000 2.046 298 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 298 L C 2.492 179.402 176.870 0.067 0.000 1.077 298 L CA 0.674 55.585 54.840 0.118 0.000 0.747 298 L CB -0.402 41.792 42.059 0.225 0.000 0.896 298 L HN 0.054 nan 8.230 nan 0.000 0.432 299 L N -0.090 121.144 121.223 0.018 0.000 2.131 299 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 299 L C 2.679 179.465 176.870 -0.140 0.000 1.092 299 L CA 1.264 56.059 54.840 -0.074 0.000 0.759 299 L CB -0.482 41.472 42.059 -0.174 0.000 0.903 299 L HN 0.274 nan 8.230 nan 0.000 0.435 300 K N 1.038 121.348 120.400 -0.150 0.000 2.002 300 K HA -0.176 4.144 4.320 -0.000 0.000 0.209 300 K C 2.091 178.668 176.600 -0.039 0.000 1.048 300 K CA 1.422 57.641 56.287 -0.113 0.000 0.930 300 K CB -0.114 32.354 32.500 -0.053 0.000 0.714 300 K HN 0.151 nan 8.250 nan 0.000 0.438 301 I N 1.103 121.672 120.570 -0.002 0.000 2.151 301 I HA -0.357 3.813 4.170 -0.000 0.000 0.243 301 I C 2.709 178.833 176.117 0.013 0.000 1.080 301 I CA 1.564 62.873 61.300 0.016 0.000 1.339 301 I CB -0.299 37.722 38.000 0.034 0.000 1.039 301 I HN 0.405 nan 8.210 nan 0.000 0.409 302 M N 0.634 120.242 119.600 0.013 0.000 2.080 302 M HA -0.239 4.241 4.480 -0.000 0.000 0.260 302 M C 2.267 178.574 176.300 0.011 0.000 1.068 302 M CA 2.031 57.346 55.300 0.024 0.000 1.109 302 M CB -0.027 32.597 32.600 0.041 0.000 1.342 302 M HN 0.203 nan 8.290 nan 0.000 0.405 303 L N -0.357 120.854 121.223 -0.020 0.000 2.179 303 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 303 L C 2.523 179.396 176.870 0.005 0.000 1.096 303 L CA 0.560 55.392 54.840 -0.014 0.000 0.779 303 L CB -0.594 41.424 42.059 -0.068 0.000 0.922 303 L HN 0.184 nan 8.230 nan 0.000 0.443 304 K N 0.657 121.058 120.400 0.001 0.000 2.057 304 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 304 K C 1.773 178.386 176.600 0.021 0.000 1.050 304 K CA 1.306 57.603 56.287 0.017 0.000 0.935 304 K CB -0.032 32.479 32.500 0.019 0.000 0.715 304 K HN 0.299 nan 8.250 nan 0.000 0.439 305 K N 0.036 120.445 120.400 0.016 0.000 2.355 305 K HA 0.085 4.405 4.320 -0.000 0.000 0.198 305 K C 0.076 176.680 176.600 0.007 0.000 1.039 305 K CA -0.009 56.286 56.287 0.013 0.000 1.075 305 K CB 0.634 33.143 32.500 0.015 0.000 0.870 305 K HN -0.078 nan 8.250 nan 0.000 0.540 306 S N 2.466 118.173 115.700 0.011 0.000 3.797 306 S HA -0.133 4.337 4.470 -0.000 0.000 0.374 306 S C -0.571 174.036 174.600 0.011 0.000 0.970 306 S CA 0.242 58.447 58.200 0.009 0.000 1.177 306 S CB -1.234 61.960 63.200 -0.010 0.000 0.891 306 S HN 0.418 nan 8.310 nan 0.000 0.491 307 D N 1.367 121.783 120.400 0.026 0.000 2.402 307 D HA 0.205 4.845 4.640 -0.000 0.000 0.235 307 D C 1.357 177.688 176.300 0.052 0.000 1.226 307 D CA -0.350 53.671 54.000 0.036 0.000 0.918 307 D CB 0.174 40.998 40.800 0.041 0.000 1.043 307 D HN 0.420 nan 8.370 nan 0.000 0.506 308 N N 3.357 122.082 118.700 0.041 0.000 2.137 308 N HA -0.205 4.535 4.740 -0.000 0.000 0.190 308 N C 1.558 177.129 175.510 0.101 0.000 1.017 308 N CA 0.860 53.941 53.050 0.051 0.000 0.859 308 N CB -0.191 38.297 38.487 0.002 0.000 1.002 308 N HN 0.557 nan 8.380 nan 0.000 0.428 309 M N 0.055 119.708 119.600 0.088 0.000 2.236 309 M HA 0.035 4.515 4.480 -0.000 0.000 0.266 309 M C 1.702 178.075 176.300 0.121 0.000 1.070 309 M CA 1.041 56.409 55.300 0.114 0.000 1.137 309 M CB 0.114 32.759 32.600 0.075 0.000 1.378 309 M HN -0.004 nan 8.290 nan 0.000 0.426 310 I N 0.259 120.887 120.570 0.097 0.000 2.202 310 I HA -0.227 3.943 4.170 -0.000 0.000 0.242 310 I C 2.622 178.851 176.117 0.186 0.000 1.091 310 I CA 1.165 62.532 61.300 0.113 0.000 1.368 310 I CB -0.685 37.376 38.000 0.101 0.000 1.058 310 I HN 0.351 nan 8.210 nan 0.000 0.410 311 A N 0.445 123.369 122.820 0.173 0.000 1.908 311 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 311 A C 1.955 179.713 177.584 0.290 0.000 1.181 311 A CA 2.172 54.335 52.037 0.209 0.000 0.627 311 A CB -0.526 18.571 19.000 0.162 0.000 0.818 311 A HN 0.361 nan 8.150 nan 0.000 0.445 312 D N -0.910 119.676 120.400 0.309 0.000 2.249 312 D HA -0.064 4.576 4.640 -0.000 0.000 0.205 312 D C 2.283 178.787 176.300 0.340 0.000 0.962 312 D CA 1.754 56.004 54.000 0.418 0.000 0.860 312 D CB -0.389 40.772 40.800 0.602 0.000 0.955 312 D HN 0.632 nan 8.370 nan 0.000 0.505 313 T N -1.159 113.586 114.554 0.317 0.000 2.857 313 T HA -0.065 4.285 4.350 -0.000 0.000 0.266 313 T C 2.249 177.250 174.700 0.502 0.000 1.048 313 T CA 0.610 62.940 62.100 0.384 0.000 1.139 313 T CB -0.691 68.299 68.868 0.205 0.000 0.874 313 T HN -0.086 nan 8.240 nan 0.000 0.455 314 V N 1.064 121.262 119.914 0.474 0.000 2.287 314 V HA -0.094 4.026 4.120 -0.000 0.000 0.248 314 V C 2.184 178.416 176.094 0.231 0.000 1.053 314 V CA 1.976 64.506 62.300 0.383 0.000 1.027 314 V CB -0.982 31.029 31.823 0.313 0.000 0.646 314 V HN 0.461 nan 8.190 nan 0.000 0.447 315 F N 1.077 121.091 119.950 0.107 0.000 2.069 315 F HA -0.210 4.317 4.527 -0.000 0.000 0.298 315 F C 2.628 178.369 175.800 -0.098 0.000 1.113 315 F CA 1.933 59.955 58.000 0.036 0.000 1.214 315 F CB -0.253 38.821 39.000 0.123 0.000 0.978 315 F HN -0.052 nan 8.300 nan 0.000 0.474 316 R N -0.811 119.603 120.500 -0.143 0.000 2.148 316 R HA -0.136 4.204 4.340 -0.000 0.000 0.223 316 R C 2.079 178.244 176.300 -0.227 0.000 1.088 316 R CA 1.266 57.039 56.100 -0.544 0.000 0.985 316 R CB -0.416 29.085 30.300 -1.332 0.000 0.880 316 R HN 0.332 nan 8.270 nan 0.000 0.451 317 M N 0.914 120.570 119.600 0.093 0.000 2.159 317 M HA -0.100 4.380 4.480 -0.000 0.000 0.263 317 M C 1.797 178.056 176.300 -0.069 0.000 1.063 317 M CA 1.556 56.949 55.300 0.155 0.000 1.110 317 M CB -0.121 32.528 32.600 0.083 0.000 1.374 317 M HN 0.038 nan 8.290 nan 0.000 0.411 318 I N -0.740 119.714 120.570 -0.194 0.000 2.163 318 I HA -0.257 3.913 4.170 -0.000 0.000 0.243 318 I C 2.354 178.280 176.117 -0.317 0.000 1.085 318 I CA 1.526 62.657 61.300 -0.281 0.000 1.347 318 I CB -1.268 36.553 38.000 -0.298 0.000 1.044 318 I HN 0.470 nan 8.210 nan 0.000 0.408 319 G N -0.393 108.216 108.800 -0.318 0.000 2.418 319 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.217 319 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.217 319 G C 1.477 176.311 174.900 -0.110 0.000 1.158 319 G CA 1.296 46.247 45.100 -0.248 0.000 0.771 319 G HN 0.454 nan 8.290 nan 0.000 0.545 320 H N 1.207 120.216 119.070 -0.103 0.000 2.290 320 H HA 0.087 4.643 4.556 -0.000 0.000 0.298 320 H C 2.645 177.943 175.328 -0.051 0.000 1.087 320 H CA 2.214 58.259 56.048 -0.005 0.000 1.291 320 H CB -0.375 29.446 29.762 0.099 0.000 1.369 320 H HN 0.266 nan 8.280 nan 0.000 0.492 321 A N 0.515 123.200 122.820 -0.224 0.000 1.930 321 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 321 A C 2.492 179.887 177.584 -0.314 0.000 1.175 321 A CA 1.611 53.475 52.037 -0.289 0.000 0.627 321 A CB -0.651 18.222 19.000 -0.211 0.000 0.815 321 A HN 0.511 nan 8.150 nan 0.000 0.443 322 R N -1.954 118.293 120.500 -0.423 0.000 2.090 322 R HA -0.037 4.303 4.340 -0.000 0.000 0.228 322 R C 0.792 176.796 176.300 -0.493 0.000 1.110 322 R CA 1.551 57.304 56.100 -0.578 0.000 0.973 322 R CB -0.155 29.563 30.300 -0.970 0.000 0.869 322 R HN 0.477 nan 8.270 nan 0.000 0.440 323 F N 0.541 120.417 119.950 -0.124 0.000 2.678 323 F HA 0.303 4.830 4.527 -0.000 0.000 0.305 323 F C 0.087 175.820 175.800 -0.111 0.000 1.090 323 F CA -0.735 57.206 58.000 -0.098 0.000 1.272 323 F CB 0.092 39.047 39.000 -0.076 0.000 1.060 323 F HN -0.051 nan 8.300 nan 0.000 0.576 324 N N 1.394 120.057 118.700 -0.062 0.000 2.705 324 N HA -0.150 4.590 4.740 -0.000 0.000 0.255 324 N C -0.616 174.884 175.510 -0.017 0.000 1.008 324 N CA 1.042 54.012 53.050 -0.134 0.000 0.742 324 N CB -1.495 36.947 38.487 -0.075 0.000 0.906 324 N HN 0.301 nan 8.380 nan 0.000 0.541 325 V N -4.303 115.638 119.914 0.045 0.000 3.130 325 V HA 0.765 4.885 4.120 -0.000 0.000 0.310 325 V C -2.541 173.723 176.094 0.284 0.000 1.158 325 V CA -2.370 60.010 62.300 0.132 0.000 1.029 325 V CB 2.372 34.261 31.823 0.110 0.000 1.057 325 V HN -0.209 nan 8.190 nan 0.000 0.436 326 P HA 0.230 nan 4.420 nan 0.000 0.265 326 P C 0.319 177.746 177.300 0.210 0.000 1.193 326 P CA 0.820 64.074 63.100 0.256 0.000 0.765 326 P CB 0.310 32.099 31.700 0.149 0.000 0.823 327 G N 2.377 111.329 108.800 0.253 0.000 2.378 327 G HA2 0.462 4.422 3.960 -0.000 0.000 0.255 327 G HA3 0.462 4.422 3.960 -0.000 0.000 0.255 327 G C -0.104 174.605 174.900 -0.317 0.000 1.270 327 G CA -0.041 45.042 45.100 -0.027 0.000 0.876 327 G HN 0.540 nan 8.290 nan 0.000 0.521 328 T N -0.923 113.456 114.554 -0.291 0.000 2.887 328 T HA 0.346 4.696 4.350 -0.000 0.000 0.292 328 T C 0.698 175.210 174.700 -0.314 0.000 1.087 328 T CA -0.955 60.949 62.100 -0.327 0.000 1.009 328 T CB 1.218 70.033 68.868 -0.089 0.000 1.203 328 T HN 0.500 nan 8.240 nan 0.000 0.518 329 W N 0.196 121.488 121.300 -0.014 0.000 2.358 329 W HA 0.102 4.762 4.660 -0.000 0.000 0.303 329 W C 2.960 179.573 176.519 0.156 0.000 1.208 329 W CA 0.769 58.187 57.345 0.122 0.000 1.274 329 W CB -0.170 29.307 29.460 0.027 0.000 1.138 329 W HN 0.679 nan 8.180 nan 0.000 0.515 330 R N 0.588 121.248 120.500 0.266 0.000 2.092 330 R HA -0.103 4.237 4.340 -0.000 0.000 0.231 330 R C 2.245 178.617 176.300 0.120 0.000 1.119 330 R CA 1.632 57.840 56.100 0.180 0.000 0.970 330 R CB -0.526 29.841 30.300 0.112 0.000 0.864 330 R HN 0.116 nan 8.270 nan 0.000 0.440 331 A N 0.103 122.966 122.820 0.073 0.000 1.930 331 A HA -0.027 4.293 4.320 -0.000 0.000 0.217 331 A C 2.306 179.924 177.584 0.056 0.000 1.175 331 A CA 1.529 53.645 52.037 0.130 0.000 0.627 331 A CB -1.142 17.947 19.000 0.149 0.000 0.815 331 A HN 0.561 nan 8.150 nan 0.000 0.443 332 G N -0.473 108.205 108.800 -0.203 0.000 2.446 332 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.217 332 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.217 332 G C 1.846 176.410 174.900 -0.561 0.000 1.168 332 G CA 1.383 46.034 45.100 -0.749 0.000 0.771 332 G HN 0.481 nan 8.290 nan 0.000 0.551 333 S N 0.838 116.550 115.700 0.020 0.000 2.359 333 S HA -0.114 4.355 4.470 -0.000 0.000 0.224 333 S C 2.056 176.744 174.600 0.147 0.000 1.035 333 S CA 1.492 59.862 58.200 0.283 0.000 1.018 333 S CB -0.332 63.079 63.200 0.352 0.000 0.876 333 S HN 0.358 nan 8.310 nan 0.000 0.448 334 D N 1.562 122.050 120.400 0.147 0.000 2.117 334 D HA -0.010 4.630 4.640 -0.000 0.000 0.197 334 D C 2.135 178.572 176.300 0.228 0.000 0.987 334 D CA 1.276 55.384 54.000 0.181 0.000 0.829 334 D CB -0.499 40.403 40.800 0.171 0.000 0.961 334 D HN 0.374 nan 8.370 nan 0.000 0.460 335 A N 0.405 123.332 122.820 0.179 0.000 1.873 335 A HA -0.128 4.192 4.320 -0.000 0.000 0.215 335 A C 2.523 180.044 177.584 -0.105 0.000 1.186 335 A CA 1.270 53.240 52.037 -0.111 0.000 0.616 335 A CB -0.816 17.924 19.000 -0.433 0.000 0.823 335 A HN 0.140 nan 8.150 nan 0.000 0.442 336 V N 0.333 120.192 119.914 -0.091 0.000 2.332 336 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 336 V C 2.691 178.793 176.094 0.014 0.000 1.055 336 V CA 2.355 64.639 62.300 -0.028 0.000 1.038 336 V CB -0.839 31.026 31.823 0.069 0.000 0.651 336 V HN 0.697 nan 8.190 nan 0.000 0.450 337 R N -0.303 120.227 120.500 0.049 0.000 2.081 337 R HA -0.195 4.145 4.340 -0.000 0.000 0.235 337 R C 2.348 178.662 176.300 0.022 0.000 1.131 337 R CA 1.830 57.958 56.100 0.047 0.000 0.960 337 R CB -0.221 30.121 30.300 0.069 0.000 0.856 337 R HN 0.579 nan 8.270 nan 0.000 0.436 338 Q N 0.153 119.973 119.800 0.033 0.000 2.084 338 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 338 Q C 2.253 178.234 176.000 -0.031 0.000 0.978 338 Q CA 1.731 57.548 55.803 0.022 0.000 0.844 338 Q CB -0.056 28.725 28.738 0.072 0.000 0.898 338 Q HN 0.436 nan 8.270 nan 0.000 0.426 339 I N 0.608 121.140 120.570 -0.063 0.000 2.179 339 I HA -0.301 3.869 4.170 -0.000 0.000 0.242 339 I C 2.201 178.250 176.117 -0.114 0.000 1.088 339 I CA 1.009 62.251 61.300 -0.097 0.000 1.357 339 I CB -0.234 37.698 38.000 -0.112 0.000 1.051 339 I HN 0.195 nan 8.210 nan 0.000 0.409 340 L N 0.186 121.351 121.223 -0.095 0.000 2.042 340 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 340 L C 2.760 179.553 176.870 -0.129 0.000 1.076 340 L CA 1.336 56.100 54.840 -0.127 0.000 0.749 340 L CB -0.527 41.489 42.059 -0.071 0.000 0.893 340 L HN 0.229 nan 8.230 nan 0.000 0.432 341 R N 0.100 120.557 120.500 -0.073 0.000 2.062 341 R HA -0.110 4.230 4.340 -0.000 0.000 0.226 341 R C 2.187 178.451 176.300 -0.059 0.000 1.125 341 R CA 1.538 57.606 56.100 -0.052 0.000 0.966 341 R CB -0.173 30.115 30.300 -0.019 0.000 0.861 341 R HN 0.377 nan 8.270 nan 0.000 0.433 342 Q N -1.107 118.658 119.800 -0.060 0.000 2.204 342 Q HA 0.004 4.344 4.340 -0.000 0.000 0.198 342 Q C 1.836 177.797 176.000 -0.066 0.000 0.946 342 Q CA 1.012 56.787 55.803 -0.046 0.000 0.859 342 Q CB 0.310 29.029 28.738 -0.031 0.000 0.946 342 Q HN 0.238 nan 8.270 nan 0.000 0.474 343 Q N -0.527 119.207 119.800 -0.111 0.000 2.349 343 Q HA 0.183 4.523 4.340 -0.000 0.000 0.209 343 Q C 1.134 176.983 176.000 -0.252 0.000 0.920 343 Q CA 1.071 56.795 55.803 -0.131 0.000 0.901 343 Q CB 0.595 29.259 28.738 -0.122 0.000 1.021 343 Q HN 0.299 nan 8.270 nan 0.000 0.519 344 A N -1.035 121.542 122.820 -0.404 0.000 2.390 344 A HA 0.515 4.835 4.320 -0.000 0.000 0.232 344 A C 1.275 178.624 177.584 -0.392 0.000 1.233 344 A CA 0.437 51.958 52.037 -0.861 0.000 0.907 344 A CB -0.045 18.274 19.000 -1.137 0.000 0.967 344 A HN 0.301 nan 8.150 nan 0.000 0.512 345 G N -0.686 108.014 108.800 -0.167 0.000 2.179 345 G HA2 -0.186 3.773 3.960 -0.000 0.000 0.257 345 G HA3 -0.186 3.773 3.960 -0.000 0.000 0.257 345 G C 0.044 174.923 174.900 -0.035 0.000 1.010 345 G CA 0.420 45.492 45.100 -0.047 0.000 0.736 345 G HN 0.900 nan 8.290 nan 0.000 0.513 346 V N 0.833 120.702 119.914 -0.075 0.000 2.347 346 V HA 0.448 4.568 4.120 -0.000 0.000 0.280 346 V C -0.155 175.924 176.094 -0.025 0.000 1.021 346 V CA -0.829 61.448 62.300 -0.039 0.000 0.847 346 V CB 1.812 33.601 31.823 -0.056 0.000 0.990 346 V HN 0.339 nan 8.190 nan 0.000 0.444 347 D N 4.643 125.041 120.400 -0.003 0.000 2.380 347 D HA 0.228 4.868 4.640 -0.000 0.000 0.230 347 D C 1.079 177.388 176.300 0.014 0.000 1.154 347 D CA -0.458 53.545 54.000 0.005 0.000 0.859 347 D CB 1.234 42.040 40.800 0.010 0.000 1.045 347 D HN 0.589 nan 8.370 nan 0.000 0.495 348 I N 1.294 121.875 120.570 0.019 0.000 3.291 348 I HA 0.248 4.418 4.170 -0.000 0.000 0.279 348 I C 1.310 177.447 176.117 0.033 0.000 1.294 348 I CA 0.102 61.420 61.300 0.031 0.000 1.428 348 I CB -0.405 37.619 38.000 0.041 0.000 1.070 348 I HN 0.456 nan 8.210 nan 0.000 0.478 349 G N 3.828 112.645 108.800 0.028 0.000 2.591 349 G HA2 -0.449 3.511 3.960 -0.000 0.000 0.298 349 G HA3 -0.449 3.511 3.960 -0.000 0.000 0.298 349 G C 0.517 175.434 174.900 0.028 0.000 1.195 349 G CA 0.749 45.864 45.100 0.026 0.000 0.989 349 G HN 0.708 nan 8.290 nan 0.000 0.551 350 N N 1.181 119.898 118.700 0.027 0.000 2.370 350 N HA 0.149 4.889 4.740 -0.000 0.000 0.198 350 N C 0.738 176.267 175.510 0.032 0.000 1.156 350 N CA 1.212 54.278 53.050 0.025 0.000 0.839 350 N CB -0.469 38.029 38.487 0.019 0.000 0.989 350 N HN 0.616 nan 8.380 nan 0.000 0.468 351 T N 2.057 116.636 114.554 0.041 0.000 2.946 351 T HA 0.060 4.410 4.350 -0.000 0.000 0.312 351 T C 0.355 175.087 174.700 0.054 0.000 1.066 351 T CA 0.213 62.344 62.100 0.052 0.000 1.138 351 T CB 0.590 69.495 68.868 0.062 0.000 1.014 351 T HN 0.127 nan 8.240 nan 0.000 0.544 352 I N 4.241 124.843 120.570 0.054 0.000 2.362 352 I HA 0.386 4.556 4.170 -0.000 0.000 0.289 352 I C 0.035 176.200 176.117 0.081 0.000 0.994 352 I CA -0.451 60.885 61.300 0.061 0.000 1.158 352 I CB 1.347 39.372 38.000 0.041 0.000 1.315 352 I HN 0.534 nan 8.210 nan 0.000 0.451 353 I N 5.241 125.879 120.570 0.112 0.000 2.355 353 I HA 0.348 4.518 4.170 -0.000 0.000 0.288 353 I C 0.853 177.061 176.117 0.152 0.000 0.999 353 I CA -0.080 61.304 61.300 0.140 0.000 1.163 353 I CB 1.959 40.090 38.000 0.217 0.000 1.316 353 I HN 0.703 nan 8.210 nan 0.000 0.454 354 A N 4.446 127.301 122.820 0.058 0.000 2.167 354 A HA 0.214 4.534 4.320 -0.000 0.000 0.208 354 A C 0.205 177.679 177.584 -0.183 0.000 1.198 354 A CA 0.545 52.587 52.037 0.008 0.000 0.863 354 A CB 0.040 19.035 19.000 -0.008 0.000 0.904 354 A HN 0.761 nan 8.150 nan 0.000 0.484 355 D N -4.366 115.799 120.400 -0.393 0.000 2.825 355 D HA 0.424 5.064 4.640 -0.000 0.000 0.327 355 D C 0.803 176.465 176.300 -1.063 0.000 1.277 355 D CA 0.253 53.764 54.000 -0.814 0.000 0.950 355 D CB 0.352 41.006 40.800 -0.243 0.000 1.438 355 D HN -0.055 nan 8.370 nan 0.000 0.526 356 G N -1.179 107.193 108.800 -0.714 0.000 2.656 356 G HA2 0.032 3.992 3.960 -0.000 0.000 0.211 356 G HA3 0.032 3.992 3.960 -0.000 0.000 0.211 356 G C 1.123 176.053 174.900 0.049 0.000 1.137 356 G CA 0.743 45.774 45.100 -0.114 0.000 0.802 356 G HN 0.549 nan 8.290 nan 0.000 0.527 357 S N -0.541 115.199 115.700 0.067 0.000 2.446 357 S HA 0.329 4.799 4.470 -0.000 0.000 0.225 357 S C 1.963 176.571 174.600 0.013 0.000 1.016 357 S CA 1.177 59.415 58.200 0.064 0.000 0.943 357 S CB -0.039 63.197 63.200 0.061 0.000 0.786 357 S HN 1.448 nan 8.310 nan 0.000 0.508 358 G N 0.782 109.581 108.800 -0.001 0.000 2.175 358 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.244 358 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.244 358 G C 0.491 175.357 174.900 -0.056 0.000 0.982 358 G CA 0.324 45.408 45.100 -0.027 0.000 0.641 358 G HN 0.527 nan 8.290 nan 0.000 0.527 359 L N 1.734 122.912 121.223 -0.075 0.000 2.083 359 L HA 0.356 4.696 4.340 -0.000 0.000 0.209 359 L C 1.826 178.634 176.870 -0.102 0.000 1.083 359 L CA 2.201 56.921 54.840 -0.200 0.000 0.752 359 L CB -0.631 41.094 42.059 -0.556 0.000 0.899 359 L HN 0.462 nan 8.230 nan 0.000 0.433 360 S N -0.357 115.402 115.700 0.099 0.000 2.549 360 S HA 0.023 4.493 4.470 -0.000 0.000 0.286 360 S C 1.234 175.846 174.600 0.019 0.000 1.314 360 S CA -0.512 57.772 58.200 0.141 0.000 1.062 360 S CB 0.337 63.574 63.200 0.062 0.000 0.865 360 S HN 0.284 nan 8.310 nan 0.000 0.498 361 R N 3.001 123.499 120.500 -0.004 0.000 2.323 361 R HA 0.070 4.410 4.340 -0.000 0.000 0.198 361 R C 1.229 177.620 176.300 0.151 0.000 0.988 361 R CA 0.890 57.011 56.100 0.035 0.000 1.041 361 R CB -0.924 29.397 30.300 0.035 0.000 0.926 361 R HN 0.780 nan 8.270 nan 0.000 0.476 362 H N -0.558 118.505 119.070 -0.011 0.000 2.544 362 H HA 0.130 4.686 4.556 -0.000 0.000 0.269 362 H C -0.043 175.273 175.328 -0.019 0.000 0.970 362 H CA -0.446 55.590 56.048 -0.020 0.000 1.219 362 H CB 0.253 29.996 29.762 -0.031 0.000 1.421 362 H HN 0.227 nan 8.280 nan 0.000 0.555 363 N N 1.750 120.505 118.700 0.092 0.000 2.458 363 N HA 0.137 4.877 4.740 -0.000 0.000 0.258 363 N C -0.991 174.529 175.510 0.016 0.000 1.219 363 N CA 0.311 53.385 53.050 0.040 0.000 0.902 363 N CB 1.021 39.510 38.487 0.004 0.000 1.076 363 N HN 0.138 nan 8.380 nan 0.000 0.455 364 L N 3.410 124.645 121.223 0.021 0.000 2.614 364 L HA 0.544 4.884 4.340 -0.000 0.000 0.264 364 L C -1.554 175.341 176.870 0.041 0.000 0.940 364 L CA -0.395 54.453 54.840 0.013 0.000 0.903 364 L CB 1.374 43.442 42.059 0.015 0.000 1.306 364 L HN 0.617 nan 8.230 nan 0.000 0.410 365 I N 2.687 123.294 120.570 0.061 0.000 2.842 365 I HA 0.620 4.790 4.170 -0.000 0.000 0.297 365 I C -0.778 175.461 176.117 0.204 0.000 1.380 365 I CA -0.377 60.997 61.300 0.124 0.000 1.018 365 I CB 2.296 40.384 38.000 0.146 0.000 1.311 365 I HN 0.675 nan 8.210 nan 0.000 0.439 366 A N 7.070 129.991 122.820 0.167 0.000 2.316 366 A HA 0.632 4.952 4.320 -0.000 0.000 0.284 366 A C -2.189 175.477 177.584 0.137 0.000 1.115 366 A CA -1.451 50.685 52.037 0.165 0.000 0.812 366 A CB 0.347 19.403 19.000 0.094 0.000 1.064 366 A HN 0.603 nan 8.150 nan 0.000 0.489 367 P HA -0.240 nan 4.420 nan 0.000 0.217 367 P C 1.588 178.850 177.300 -0.063 0.000 1.151 367 P CA 2.470 65.481 63.100 -0.147 0.000 0.849 367 P CB 0.149 31.766 31.700 -0.138 0.000 0.787 368 A N -1.247 121.572 122.820 -0.002 0.000 1.972 368 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 368 A C 2.183 179.775 177.584 0.014 0.000 1.169 368 A CA 2.322 54.364 52.037 0.008 0.000 0.635 368 A CB -1.748 17.265 19.000 0.022 0.000 0.810 368 A HN 0.182 nan 8.150 nan 0.000 0.446 369 T N -0.631 113.940 114.554 0.028 0.000 2.770 369 T HA -0.122 4.227 4.350 -0.000 0.000 0.263 369 T C 1.921 176.637 174.700 0.026 0.000 1.039 369 T CA 1.731 63.852 62.100 0.036 0.000 1.142 369 T CB -0.276 68.626 68.868 0.056 0.000 0.868 369 T HN 0.392 nan 8.240 nan 0.000 0.435 370 M N 1.184 120.797 119.600 0.022 0.000 2.149 370 M HA 0.012 4.492 4.480 -0.000 0.000 0.261 370 M C 2.100 178.367 176.300 -0.055 0.000 1.064 370 M CA 1.388 56.683 55.300 -0.009 0.000 1.102 370 M CB -0.630 31.950 32.600 -0.033 0.000 1.369 370 M HN 0.163 nan 8.290 nan 0.000 0.408 371 M N 0.072 119.636 119.600 -0.061 0.000 2.149 371 M HA -0.237 4.243 4.480 -0.000 0.000 0.261 371 M C 1.887 178.188 176.300 0.002 0.000 1.064 371 M CA 1.969 57.240 55.300 -0.048 0.000 1.102 371 M CB -0.503 32.081 32.600 -0.027 0.000 1.369 371 M HN 0.457 nan 8.290 nan 0.000 0.408 372 Q N -1.325 118.488 119.800 0.021 0.000 2.119 372 Q HA -0.120 4.220 4.340 -0.000 0.000 0.201 372 Q C 2.029 178.075 176.000 0.075 0.000 0.972 372 Q CA 1.681 57.515 55.803 0.053 0.000 0.847 372 Q CB -0.253 28.510 28.738 0.043 0.000 0.903 372 Q HN 0.432 nan 8.270 nan 0.000 0.433 373 V N 1.204 121.142 119.914 0.039 0.000 2.261 373 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 373 V C 2.211 178.342 176.094 0.061 0.000 1.047 373 V CA 1.593 63.916 62.300 0.038 0.000 1.015 373 V CB -0.583 31.242 31.823 0.003 0.000 0.642 373 V HN 0.353 nan 8.190 nan 0.000 0.446 374 L N -0.382 120.846 121.223 0.009 0.000 2.043 374 L HA -0.243 4.097 4.340 -0.000 0.000 0.212 374 L C 2.829 179.842 176.870 0.237 0.000 1.075 374 L CA 1.552 56.419 54.840 0.046 0.000 0.752 374 L CB -0.776 41.145 42.059 -0.230 0.000 0.891 374 L HN 0.367 nan 8.230 nan 0.000 0.432 375 Q N -0.790 119.108 119.800 0.162 0.000 2.084 375 Q HA -0.255 4.085 4.340 -0.000 0.000 0.202 375 Q C 2.100 178.194 176.000 0.156 0.000 0.978 375 Q CA 1.892 57.794 55.803 0.164 0.000 0.844 375 Q CB -0.551 28.259 28.738 0.120 0.000 0.898 375 Q HN 0.541 nan 8.270 nan 0.000 0.426 376 Y N 1.096 121.439 120.300 0.072 0.000 2.145 376 Y HA -0.208 4.342 4.550 -0.000 0.000 0.286 376 Y C 2.152 178.112 175.900 0.100 0.000 1.145 376 Y CA 1.382 59.539 58.100 0.095 0.000 1.148 376 Y CB -0.266 38.205 38.460 0.018 0.000 0.981 376 Y HN -0.009 nan 8.280 nan 0.000 0.507 377 I N -0.035 120.604 120.570 0.116 0.000 2.179 377 I HA -0.359 3.811 4.170 -0.000 0.000 0.242 377 I C 2.674 178.724 176.117 -0.111 0.000 1.088 377 I CA 1.302 62.567 61.300 -0.058 0.000 1.357 377 I CB -0.758 37.096 38.000 -0.242 0.000 1.051 377 I HN 0.348 nan 8.210 nan 0.000 0.409 378 A N 0.143 122.910 122.820 -0.088 0.000 1.902 378 A HA -0.308 4.012 4.320 -0.000 0.000 0.217 378 A C 2.277 179.754 177.584 -0.179 0.000 1.181 378 A CA 2.074 53.961 52.037 -0.250 0.000 0.623 378 A CB -0.753 18.138 19.000 -0.181 0.000 0.818 378 A HN 0.531 nan 8.150 nan 0.000 0.443 379 Q N -1.161 118.549 119.800 -0.150 0.000 2.167 379 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 379 Q C 1.100 176.858 176.000 -0.403 0.000 0.970 379 Q CA 1.575 57.231 55.803 -0.245 0.000 0.855 379 Q CB -0.142 28.463 28.738 -0.222 0.000 0.911 379 Q HN 0.808 nan 8.270 nan 0.000 0.438 380 H N -0.722 118.148 119.070 -0.333 0.000 2.528 380 H HA 0.066 4.622 4.556 -0.000 0.000 0.282 380 H C 0.313 175.560 175.328 -0.136 0.000 1.097 380 H CA 0.245 56.129 56.048 -0.274 0.000 1.121 380 H CB 0.638 30.139 29.762 -0.435 0.000 1.590 380 H HN 0.386 nan 8.280 nan 0.000 0.553 381 D N 1.060 121.425 120.400 -0.059 0.000 2.178 381 D HA -0.130 4.510 4.640 -0.000 0.000 0.201 381 D C 1.550 177.862 176.300 0.019 0.000 0.980 381 D CA 1.129 55.124 54.000 -0.009 0.000 0.842 381 D CB 0.090 40.840 40.800 -0.084 0.000 0.948 381 D HN 0.401 nan 8.370 nan 0.000 0.472 382 N N -0.538 118.151 118.700 -0.020 0.000 2.309 382 N HA -0.094 4.645 4.740 -0.000 0.000 0.182 382 N C 1.360 176.881 175.510 0.019 0.000 1.018 382 N CA 0.659 53.704 53.050 -0.009 0.000 0.876 382 N CB 0.106 38.572 38.487 -0.035 0.000 0.972 382 N HN 0.347 nan 8.380 nan 0.000 0.434 383 E N 0.578 120.804 120.200 0.043 0.000 2.086 383 E HA -0.002 4.348 4.350 -0.000 0.000 0.190 383 E C 1.688 178.354 176.600 0.110 0.000 0.975 383 E CA 0.643 57.089 56.400 0.076 0.000 0.813 383 E CB 0.127 29.896 29.700 0.114 0.000 0.768 383 E HN 0.303 nan 8.360 nan 0.000 0.457 384 L N 0.540 121.857 121.223 0.156 0.000 2.307 384 L HA 0.033 4.373 4.340 -0.000 0.000 0.211 384 L C 0.789 177.828 176.870 0.281 0.000 1.099 384 L CA 0.082 55.068 54.840 0.242 0.000 0.816 384 L CB -0.405 41.850 42.059 0.327 0.000 0.952 384 L HN 0.241 nan 8.230 nan 0.000 0.455 385 N N -0.560 118.265 118.700 0.208 0.000 2.688 385 N HA -0.296 4.444 4.740 -0.000 0.000 0.258 385 N C 0.530 176.235 175.510 0.325 0.000 1.016 385 N CA 0.034 53.208 53.050 0.206 0.000 0.747 385 N CB -0.636 37.915 38.487 0.107 0.000 0.895 385 N HN 0.339 nan 8.380 nan 0.000 0.543 386 F N 0.738 120.765 119.950 0.129 0.000 2.343 386 F HA 0.272 4.799 4.527 -0.000 0.000 0.286 386 F C 2.054 177.900 175.800 0.078 0.000 1.057 386 F CA 0.384 58.448 58.000 0.106 0.000 1.365 386 F CB 0.038 39.101 39.000 0.104 0.000 1.114 386 F HN 0.209 nan 8.300 nan 0.000 0.545 387 I N 0.388 121.172 120.570 0.356 0.000 2.286 387 I HA -0.302 3.868 4.170 -0.000 0.000 0.248 387 I C 2.457 178.661 176.117 0.144 0.000 1.115 387 I CA 1.487 62.933 61.300 0.242 0.000 1.392 387 I CB -0.680 37.320 38.000 -0.001 0.000 1.065 387 I HN 0.263 nan 8.210 nan 0.000 0.418 388 S N 0.670 116.427 115.700 0.095 0.000 2.493 388 S HA -0.138 4.332 4.470 -0.000 0.000 0.243 388 S C 1.819 176.444 174.600 0.042 0.000 0.991 388 S CA 0.952 59.187 58.200 0.059 0.000 0.957 388 S CB -0.384 62.852 63.200 0.060 0.000 0.756 388 S HN 0.452 nan 8.310 nan 0.000 0.521 389 M N 0.477 120.080 119.600 0.005 0.000 2.476 389 M HA 0.303 4.783 4.480 -0.000 0.000 0.262 389 M C 0.193 176.470 176.300 -0.038 0.000 1.111 389 M CA 0.259 55.513 55.300 -0.077 0.000 1.127 389 M CB -0.230 32.197 32.600 -0.289 0.000 1.376 389 M HN 0.255 nan 8.290 nan 0.000 0.465 390 L N 1.596 122.843 121.223 0.039 0.000 2.439 390 L HA 0.184 4.524 4.340 -0.000 0.000 0.269 390 L C -2.073 174.842 176.870 0.075 0.000 1.179 390 L CA -1.983 52.910 54.840 0.088 0.000 0.828 390 L CB -0.288 41.886 42.059 0.192 0.000 1.106 390 L HN -0.229 nan 8.230 nan 0.000 0.467 391 P HA -0.037 nan 4.420 nan 0.000 0.264 391 P C -0.776 176.578 177.300 0.090 0.000 1.183 391 P CA -0.057 63.087 63.100 0.073 0.000 0.763 391 P CB 0.445 32.184 31.700 0.065 0.000 0.807 392 L N 3.926 125.207 121.223 0.097 0.000 2.272 392 L HA 0.567 4.907 4.340 -0.000 0.000 0.289 392 L C -0.071 176.913 176.870 0.190 0.000 1.032 392 L CA -0.865 54.037 54.840 0.104 0.000 0.810 392 L CB 0.480 42.535 42.059 -0.006 0.000 1.205 392 L HN 0.388 nan 8.230 nan 0.000 0.422 393 A N 3.966 126.883 122.820 0.161 0.000 2.548 393 A HA 0.452 4.772 4.320 -0.000 0.000 0.247 393 A C 1.370 179.097 177.584 0.238 0.000 1.067 393 A CA 0.636 52.757 52.037 0.140 0.000 0.757 393 A CB -0.686 18.355 19.000 0.068 0.000 0.996 393 A HN 1.904 nan 8.150 nan 0.000 0.504 394 G N 0.941 109.835 108.800 0.156 0.000 2.176 394 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.253 394 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.253 394 G C 0.426 175.251 174.900 -0.124 0.000 0.979 394 G CA 1.119 46.248 45.100 0.049 0.000 0.641 394 G HN 0.876 nan 8.290 nan 0.000 0.530 395 Y N 0.905 121.231 120.300 0.043 0.000 2.846 395 Y HA 0.399 4.949 4.550 -0.000 0.000 0.258 395 Y C 1.053 176.972 175.900 0.031 0.000 1.077 395 Y CA 0.728 58.849 58.100 0.035 0.000 1.270 395 Y CB 0.615 39.096 38.460 0.035 0.000 1.476 395 Y HN 0.435 nan 8.280 nan 0.000 0.460 396 D N -1.504 119.022 120.400 0.209 0.000 2.615 396 D HA 0.472 5.112 4.640 -0.000 0.000 0.267 396 D C 0.566 176.920 176.300 0.089 0.000 1.236 396 D CA -0.041 54.034 54.000 0.125 0.000 0.839 396 D CB 1.111 41.981 40.800 0.116 0.000 1.380 396 D HN 0.403 nan 8.370 nan 0.000 0.433 397 G N -0.010 108.827 108.800 0.063 0.000 2.578 397 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.275 397 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.275 397 G C 0.887 175.813 174.900 0.043 0.000 1.271 397 G CA 0.587 45.715 45.100 0.046 0.000 0.941 397 G HN 0.954 nan 8.290 nan 0.000 0.564 398 S N -0.211 115.510 115.700 0.034 0.000 2.469 398 S HA 0.024 4.494 4.470 -0.000 0.000 0.238 398 S C 1.922 176.536 174.600 0.024 0.000 0.998 398 S CA 1.570 59.784 58.200 0.023 0.000 0.957 398 S CB -0.111 63.100 63.200 0.018 0.000 0.764 398 S HN 0.510 nan 8.310 nan 0.000 0.514 399 L N 0.733 121.979 121.223 0.039 0.000 2.769 399 L HA 0.246 4.586 4.340 -0.000 0.000 0.240 399 L C 2.085 178.986 176.870 0.052 0.000 1.163 399 L CA -0.021 54.838 54.840 0.031 0.000 0.962 399 L CB -0.185 41.898 42.059 0.041 0.000 1.258 399 L HN 0.243 nan 8.230 nan 0.000 0.513 400 Q N 1.036 120.876 119.800 0.067 0.000 2.077 400 Q HA -0.229 4.111 4.340 -0.000 0.000 0.206 400 Q C 0.106 176.174 176.000 0.113 0.000 0.989 400 Q CA 1.845 57.696 55.803 0.079 0.000 0.853 400 Q CB 0.171 28.947 28.738 0.063 0.000 0.907 400 Q HN 0.426 nan 8.270 nan 0.000 0.418 401 Y N 0.074 120.352 120.300 -0.037 0.000 2.535 401 Y HA 0.419 4.969 4.550 -0.000 0.000 0.341 401 Y C -1.526 174.353 175.900 -0.034 0.000 1.041 401 Y CA -1.215 56.850 58.100 -0.059 0.000 1.307 401 Y CB 0.686 39.084 38.460 -0.104 0.000 1.095 401 Y HN -0.118 nan 8.280 nan 0.000 0.534 402 R N 4.090 124.359 120.500 -0.385 0.000 2.215 402 R HA 0.623 4.963 4.340 -0.000 0.000 0.337 402 R C 0.791 176.721 176.300 -0.617 0.000 1.010 402 R CA 0.633 56.477 56.100 -0.428 0.000 0.871 402 R CB 0.805 30.982 30.300 -0.205 0.000 1.134 402 R HN 0.783 nan 8.270 nan 0.000 0.477 403 A N 3.810 126.113 122.820 -0.862 0.000 1.917 403 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 403 A C 2.002 179.458 177.584 -0.213 0.000 1.182 403 A CA 1.952 53.606 52.037 -0.638 0.000 0.633 403 A CB -1.172 17.640 19.000 -0.314 0.000 0.819 403 A HN 0.873 nan 8.150 nan 0.000 0.448 404 G N -0.235 108.458 108.800 -0.178 0.000 2.446 404 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.217 404 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.217 404 G C 1.555 176.401 174.900 -0.089 0.000 1.168 404 G CA 1.164 46.210 45.100 -0.090 0.000 0.771 404 G HN 0.456 nan 8.290 nan 0.000 0.551 405 L N -0.611 120.529 121.223 -0.138 0.000 2.072 405 L HA -0.006 4.334 4.340 -0.000 0.000 0.205 405 L C 2.617 179.440 176.870 -0.079 0.000 1.079 405 L CA 1.368 56.123 54.840 -0.141 0.000 0.752 405 L CB -0.637 41.314 42.059 -0.180 0.000 0.906 405 L HN 0.317 nan 8.230 nan 0.000 0.436 406 H N 0.679 119.672 119.070 -0.129 0.000 2.290 406 H HA -0.207 4.349 4.556 -0.000 0.000 0.298 406 H C 2.269 177.579 175.328 -0.030 0.000 1.087 406 H CA 1.978 58.001 56.048 -0.042 0.000 1.291 406 H CB 0.010 29.816 29.762 0.074 0.000 1.369 406 H HN 0.277 nan 8.280 nan 0.000 0.492 407 Q N -0.466 119.269 119.800 -0.107 0.000 2.291 407 Q HA -0.025 4.315 4.340 -0.000 0.000 0.205 407 Q C 2.279 178.193 176.000 -0.143 0.000 0.970 407 Q CA 0.796 56.516 55.803 -0.140 0.000 0.876 407 Q CB 0.022 28.748 28.738 -0.021 0.000 0.935 407 Q HN 0.624 nan 8.270 nan 0.000 0.455 408 A N 0.410 123.156 122.820 -0.123 0.000 2.168 408 A HA 0.150 4.470 4.320 -0.000 0.000 0.215 408 A C 1.593 179.079 177.584 -0.164 0.000 1.152 408 A CA 0.900 52.874 52.037 -0.105 0.000 0.716 408 A CB -0.502 18.471 19.000 -0.044 0.000 0.794 408 A HN 0.468 nan 8.150 nan 0.000 0.465 409 G N -1.415 107.247 108.800 -0.229 0.000 2.147 409 G HA2 -0.198 3.761 3.960 -0.000 0.000 0.244 409 G HA3 -0.198 3.761 3.960 -0.000 0.000 0.244 409 G C 0.714 175.397 174.900 -0.361 0.000 1.005 409 G CA 0.845 45.780 45.100 -0.274 0.000 0.713 409 G HN 1.691 nan 8.290 nan 0.000 0.515 410 V N -2.856 116.885 119.914 -0.289 0.000 3.319 410 V HA 0.370 4.490 4.120 -0.000 0.000 0.317 410 V C 0.440 176.464 176.094 -0.117 0.000 1.411 410 V CA -0.186 61.936 62.300 -0.298 0.000 1.112 410 V CB 0.260 31.945 31.823 -0.230 0.000 1.031 410 V HN 0.101 nan 8.190 nan 0.000 0.448 411 D N 2.499 122.870 120.400 -0.049 0.000 2.525 411 D HA 0.366 5.006 4.640 -0.000 0.000 0.235 411 D C 1.555 177.942 176.300 0.144 0.000 1.137 411 D CA 2.122 56.171 54.000 0.081 0.000 0.868 411 D CB 0.901 41.772 40.800 0.120 0.000 1.180 411 D HN 0.642 nan 8.370 nan 0.000 0.465 412 G N 2.297 111.259 108.800 0.270 0.000 2.184 412 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.264 412 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.264 412 G C 1.124 176.077 174.900 0.088 0.000 0.975 412 G CA 0.291 45.527 45.100 0.228 0.000 0.642 412 G HN 0.451 nan 8.290 nan 0.000 0.536 413 K N -0.558 119.887 120.400 0.076 0.000 2.373 413 K HA 0.464 4.784 4.320 -0.000 0.000 0.200 413 K C 0.445 177.121 176.600 0.127 0.000 1.054 413 K CA 0.295 56.636 56.287 0.090 0.000 1.065 413 K CB 1.427 33.957 32.500 0.050 0.000 0.886 413 K HN 0.367 nan 8.250 nan 0.000 0.546 414 V N 1.333 121.314 119.914 0.113 0.000 2.531 414 V HA 0.324 4.444 4.120 -0.000 0.000 0.301 414 V C -0.591 175.604 176.094 0.169 0.000 1.034 414 V CA -0.708 61.691 62.300 0.164 0.000 0.865 414 V CB 2.003 33.872 31.823 0.077 0.000 0.995 414 V HN -0.058 nan 8.190 nan 0.000 0.424 415 S N 3.632 119.472 115.700 0.232 0.000 2.640 415 S HA 0.881 5.351 4.470 -0.000 0.000 0.320 415 S C -0.206 174.517 174.600 0.205 0.000 1.097 415 S CA -0.307 58.018 58.200 0.208 0.000 1.092 415 S CB 1.438 64.779 63.200 0.236 0.000 0.988 415 S HN 1.123 nan 8.310 nan 0.000 0.470 416 A N 2.890 125.788 122.820 0.130 0.000 2.604 416 A HA 0.802 5.122 4.320 -0.000 0.000 0.295 416 A C -1.390 176.221 177.584 0.045 0.000 1.067 416 A CA -0.882 51.176 52.037 0.036 0.000 0.683 416 A CB 1.354 20.380 19.000 0.043 0.000 1.281 416 A HN 0.469 nan 8.150 nan 0.000 0.407 417 K N 1.060 121.467 120.400 0.011 0.000 2.185 417 K HA 0.617 4.937 4.320 -0.000 0.000 0.269 417 K C 0.338 176.966 176.600 0.047 0.000 0.987 417 K CA 0.298 56.611 56.287 0.045 0.000 0.865 417 K CB 0.893 33.432 32.500 0.065 0.000 1.090 417 K HN 0.906 nan 8.250 nan 0.000 0.450 418 T N -0.027 114.557 114.554 0.050 0.000 2.874 418 T HA 0.692 5.042 4.350 -0.000 0.000 0.281 418 T C 0.343 175.070 174.700 0.045 0.000 0.994 418 T CA -0.757 61.377 62.100 0.057 0.000 1.015 418 T CB 1.446 70.338 68.868 0.040 0.000 1.028 418 T HN 0.543 nan 8.240 nan 0.000 0.523 419 G N 0.478 109.303 108.800 0.042 0.000 2.704 419 G HA2 0.523 4.483 3.960 -0.000 0.000 0.279 419 G HA3 0.523 4.483 3.960 -0.000 0.000 0.279 419 G C -1.061 173.803 174.900 -0.060 0.000 1.510 419 G CA -0.774 44.320 45.100 -0.010 0.000 1.144 419 G HN 0.770 nan 8.290 nan 0.000 0.564 420 S N 1.876 117.506 115.700 -0.117 0.000 2.605 420 S HA 0.791 5.261 4.470 -0.000 0.000 0.308 420 S C -0.334 174.109 174.600 -0.262 0.000 1.113 420 S CA -0.559 57.518 58.200 -0.205 0.000 1.049 420 S CB 1.479 64.590 63.200 -0.150 0.000 1.001 420 S HN 0.552 nan 8.310 nan 0.000 0.480 421 L N 1.264 122.294 121.223 -0.321 0.000 2.397 421 L HA 0.494 4.834 4.340 -0.000 0.000 0.251 421 L C -0.146 176.537 176.870 -0.312 0.000 1.064 421 L CA -1.016 53.654 54.840 -0.282 0.000 0.859 421 L CB 1.737 43.667 42.059 -0.214 0.000 1.468 421 L HN 0.575 nan 8.230 nan 0.000 0.411 422 Q N 0.882 120.546 119.800 -0.227 0.000 2.275 422 Q HA 0.103 4.443 4.340 -0.000 0.000 0.293 422 Q C 0.826 176.719 176.000 -0.178 0.000 1.129 422 Q CA 1.150 56.846 55.803 -0.179 0.000 0.971 422 Q CB 0.052 28.726 28.738 -0.108 0.000 1.098 422 Q HN 0.820 nan 8.270 nan 0.000 0.386 423 G N 2.730 111.394 108.800 -0.226 0.000 2.221 423 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.265 423 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.265 423 G C -0.355 174.410 174.900 -0.224 0.000 1.041 423 G CA 0.182 45.210 45.100 -0.119 0.000 0.807 423 G HN 0.558 nan 8.290 nan 0.000 0.502 424 V N -0.015 119.597 119.914 -0.503 0.000 2.531 424 V HA 0.631 4.751 4.120 -0.000 0.000 0.301 424 V C -0.788 174.946 176.094 -0.601 0.000 1.034 424 V CA -0.926 61.151 62.300 -0.371 0.000 0.865 424 V CB 1.758 33.434 31.823 -0.245 0.000 0.995 424 V HN 0.243 nan 8.190 nan 0.000 0.424 425 Y N 3.214 123.463 120.300 -0.085 0.000 2.705 425 Y HA 0.444 4.994 4.550 -0.000 0.000 0.355 425 Y C 0.383 176.311 175.900 0.046 0.000 1.039 425 Y CA -0.703 57.351 58.100 -0.076 0.000 1.233 425 Y CB 0.987 39.345 38.460 -0.169 0.000 1.103 425 Y HN 0.624 nan 8.280 nan 0.000 0.624 426 N N 2.493 121.303 118.700 0.183 0.000 2.472 426 N HA 0.789 5.529 4.740 -0.000 0.000 0.289 426 N C -1.423 174.237 175.510 0.251 0.000 1.156 426 N CA -0.836 52.377 53.050 0.271 0.000 0.940 426 N CB 1.820 40.468 38.487 0.268 0.000 1.200 426 N HN 0.260 nan 8.380 nan 0.000 0.511 427 L N 0.893 122.294 121.223 0.296 0.000 2.482 427 L HA 0.693 5.033 4.340 -0.000 0.000 0.263 427 L C -1.372 175.555 176.870 0.094 0.000 0.957 427 L CA -0.710 54.269 54.840 0.231 0.000 0.836 427 L CB 2.039 44.317 42.059 0.366 0.000 1.324 427 L HN 0.638 nan 8.230 nan 0.000 0.406 428 A N 2.102 124.837 122.820 -0.142 0.000 2.402 428 A HA 0.937 5.257 4.320 -0.000 0.000 0.291 428 A C -0.251 176.937 177.584 -0.660 0.000 1.051 428 A CA 0.315 52.088 52.037 -0.439 0.000 0.716 428 A CB 1.811 20.692 19.000 -0.198 0.000 1.223 428 A HN 0.931 nan 8.150 nan 0.000 0.425 429 G N 0.565 108.624 108.800 -1.235 0.000 2.600 429 G HA2 0.496 4.456 3.960 -0.000 0.000 0.103 429 G HA3 0.496 4.456 3.960 -0.000 0.000 0.103 429 G C -1.641 172.458 174.900 -1.336 0.000 1.090 429 G CA -0.348 44.081 45.100 -1.118 0.000 1.090 429 G HN 0.808 nan 8.290 nan 0.000 0.500 430 F N 0.260 120.161 119.950 -0.081 0.000 2.578 430 F HA 0.808 5.335 4.527 -0.000 0.000 0.311 430 F C -0.152 175.872 175.800 0.374 0.000 1.094 430 F CA -0.754 57.352 58.000 0.176 0.000 0.923 430 F CB 2.470 41.528 39.000 0.096 0.000 1.230 430 F HN 0.456 nan 8.300 nan 0.000 0.450 431 I N 1.268 122.164 120.570 0.543 0.000 2.582 431 I HA 0.500 4.670 4.170 -0.000 0.000 0.292 431 I C -0.986 175.304 176.117 0.290 0.000 1.066 431 I CA -0.161 61.363 61.300 0.373 0.000 1.053 431 I CB 1.888 40.056 38.000 0.280 0.000 1.241 431 I HN 0.528 nan 8.210 nan 0.000 0.421 432 T N 5.588 120.290 114.554 0.247 0.000 2.744 432 T HA 0.354 4.704 4.350 -0.000 0.000 0.291 432 T C 0.215 175.062 174.700 0.246 0.000 0.957 432 T CA -0.374 61.845 62.100 0.198 0.000 1.002 432 T CB 0.893 69.859 68.868 0.162 0.000 0.919 432 T HN 0.752 nan 8.240 nan 0.000 0.468 433 T N 0.412 115.024 114.554 0.096 0.000 2.852 433 T HA 0.614 4.963 4.350 -0.000 0.000 0.281 433 T C 1.846 176.265 174.700 -0.468 0.000 0.993 433 T CA -0.371 61.649 62.100 -0.134 0.000 0.933 433 T CB 0.721 69.510 68.868 -0.131 0.000 1.187 433 T HN 0.415 nan 8.240 nan 0.000 0.559 434 A N 0.667 122.877 122.820 -1.017 0.000 1.972 434 A HA -0.005 4.315 4.320 -0.000 0.000 0.219 434 A C 2.448 179.862 177.584 -0.284 0.000 1.169 434 A CA 1.852 53.425 52.037 -0.775 0.000 0.635 434 A CB -1.385 17.190 19.000 -0.707 0.000 0.810 434 A HN 1.109 nan 8.150 nan 0.000 0.446 435 S N -2.098 113.471 115.700 -0.218 0.000 2.603 435 S HA 0.359 4.829 4.470 -0.000 0.000 0.220 435 S C 1.446 176.007 174.600 -0.065 0.000 0.967 435 S CA 1.057 59.191 58.200 -0.109 0.000 0.920 435 S CB -0.268 62.879 63.200 -0.088 0.000 0.773 435 S HN 1.887 nan 8.310 nan 0.000 0.529 436 G N 0.799 109.563 108.800 -0.060 0.000 2.176 436 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.253 436 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.253 436 G C -0.111 174.792 174.900 0.005 0.000 0.979 436 G CA 0.190 45.285 45.100 -0.008 0.000 0.641 436 G HN 0.777 nan 8.290 nan 0.000 0.530 437 Q N 0.533 120.330 119.800 -0.006 0.000 2.311 437 Q HA 0.370 4.710 4.340 -0.000 0.000 0.272 437 Q C 0.577 176.609 176.000 0.052 0.000 1.012 437 Q CA -0.426 55.386 55.803 0.015 0.000 0.891 437 Q CB 0.384 29.123 28.738 0.003 0.000 1.201 437 Q HN 0.494 nan 8.270 nan 0.000 0.391 438 R N 4.711 125.250 120.500 0.066 0.000 2.265 438 R HA 0.331 4.671 4.340 -0.000 0.000 0.314 438 R C -0.810 175.584 176.300 0.156 0.000 1.053 438 R CA -0.045 56.125 56.100 0.118 0.000 0.931 438 R CB 0.605 30.955 30.300 0.083 0.000 1.024 438 R HN 0.685 nan 8.270 nan 0.000 0.457 439 M N 3.204 122.937 119.600 0.222 0.000 2.456 439 M HA 0.431 4.911 4.480 -0.000 0.000 0.324 439 M C -0.502 176.003 176.300 0.342 0.000 1.124 439 M CA -0.894 54.543 55.300 0.229 0.000 0.959 439 M CB 2.310 35.013 32.600 0.172 0.000 1.692 439 M HN 0.688 nan 8.290 nan 0.000 0.444 440 A N 2.769 125.748 122.820 0.264 0.000 2.304 440 A HA 0.904 5.224 4.320 -0.000 0.000 0.301 440 A C -1.012 176.632 177.584 0.100 0.000 1.132 440 A CA -0.365 51.711 52.037 0.064 0.000 0.819 440 A CB 0.368 19.368 19.000 0.000 0.000 1.094 440 A HN 0.785 nan 8.150 nan 0.000 0.492 441 F N -0.586 119.278 119.950 -0.144 0.000 2.645 441 F HA 0.750 5.277 4.527 -0.000 0.000 0.310 441 F C -1.328 174.403 175.800 -0.114 0.000 1.102 441 F CA -1.240 56.723 58.000 -0.061 0.000 0.952 441 F CB 1.478 40.514 39.000 0.060 0.000 1.326 441 F HN 0.324 nan 8.300 nan 0.000 0.456 442 V N 2.239 122.168 119.914 0.024 0.000 2.567 442 V HA 0.405 4.525 4.120 -0.000 0.000 0.298 442 V C -1.173 174.932 176.094 0.018 0.000 1.047 442 V CA -0.535 61.659 62.300 -0.177 0.000 0.880 442 V CB 1.487 33.062 31.823 -0.414 0.000 1.009 442 V HN 0.938 nan 8.190 nan 0.000 0.429 443 Q N 4.577 124.471 119.800 0.157 0.000 2.381 443 Q HA 0.473 4.813 4.340 -0.000 0.000 0.263 443 Q C -1.859 174.345 176.000 0.340 0.000 1.030 443 Q CA -0.510 55.475 55.803 0.303 0.000 0.772 443 Q CB 1.247 30.278 28.738 0.489 0.000 1.232 443 Q HN 0.817 nan 8.270 nan 0.000 0.476 444 Y N 4.452 124.865 120.300 0.189 0.000 2.402 444 Y HA 0.343 4.893 4.550 -0.000 0.000 0.332 444 Y C -0.657 175.318 175.900 0.125 0.000 0.960 444 Y CA -1.155 57.024 58.100 0.132 0.000 1.228 444 Y CB 1.454 39.971 38.460 0.096 0.000 1.120 444 Y HN 0.511 nan 8.280 nan 0.000 0.491 445 L N 5.166 126.550 121.223 0.268 0.000 2.343 445 L HA 0.566 4.906 4.340 -0.000 0.000 0.278 445 L C -0.379 176.570 176.870 0.131 0.000 0.996 445 L CA -0.138 54.809 54.840 0.177 0.000 0.831 445 L CB 1.070 43.230 42.059 0.168 0.000 1.232 445 L HN 0.558 nan 8.230 nan 0.000 0.413 446 S N 2.154 117.918 115.700 0.106 0.000 2.903 446 S HA 0.795 5.265 4.470 -0.000 0.000 0.314 446 S C 0.673 175.328 174.600 0.092 0.000 1.177 446 S CA -0.225 58.015 58.200 0.067 0.000 0.859 446 S CB 0.866 64.069 63.200 0.006 0.000 1.265 446 S HN 1.775 nan 8.310 nan 0.000 0.584 447 G N -0.123 108.710 108.800 0.054 0.000 2.269 447 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.277 447 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.277 447 G C -0.210 174.736 174.900 0.076 0.000 1.008 447 G CA 0.887 46.013 45.100 0.043 0.000 0.774 447 G HN 1.114 nan 8.290 nan 0.000 0.511 448 Y N 0.836 121.135 120.300 -0.002 0.000 2.402 448 Y HA 0.486 5.035 4.550 -0.000 0.000 0.333 448 Y C 0.336 176.252 175.900 0.027 0.000 1.076 448 Y CA 0.042 58.166 58.100 0.041 0.000 1.299 448 Y CB 0.663 39.202 38.460 0.131 0.000 1.197 448 Y HN 0.787 nan 8.280 nan 0.000 0.517 449 A N 5.338 128.082 122.820 -0.126 0.000 2.566 449 A HA 0.634 4.954 4.320 -0.000 0.000 0.297 449 A C -1.542 175.959 177.584 -0.139 0.000 1.059 449 A CA -0.380 51.639 52.037 -0.030 0.000 0.691 449 A CB 0.653 19.647 19.000 -0.011 0.000 1.282 449 A HN 0.987 nan 8.150 nan 0.000 0.401 450 V N -0.436 119.459 119.914 -0.033 0.000 2.630 450 V HA 0.668 4.788 4.120 -0.000 0.000 0.305 450 V C 0.514 176.596 176.094 -0.019 0.000 1.046 450 V CA -0.897 61.380 62.300 -0.038 0.000 0.934 450 V CB 1.289 33.132 31.823 0.033 0.000 1.003 450 V HN 0.918 nan 8.190 nan 0.000 0.451 461 P HA -0.050 nan 4.420 nan 0.000 0.216 461 P C 2.036 179.432 177.300 0.160 0.000 1.153 461 P CA 1.466 64.628 63.100 0.104 0.000 0.848 461 P CB 0.071 31.819 31.700 0.081 0.000 0.787 462 L N -0.281 121.037 121.223 0.158 0.000 1.994 462 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 462 L C 2.172 179.110 176.870 0.113 0.000 1.071 462 L CA 1.914 56.821 54.840 0.112 0.000 0.745 462 L CB -1.244 40.683 42.059 -0.219 0.000 0.892 462 L HN -0.210 nan 8.230 nan 0.000 0.431 463 V N 0.161 120.087 119.914 0.020 0.000 2.282 463 V HA -0.307 3.813 4.120 -0.000 0.000 0.249 463 V C 2.845 178.959 176.094 0.034 0.000 1.057 463 V CA 1.987 64.288 62.300 0.002 0.000 1.032 463 V CB -0.945 30.867 31.823 -0.019 0.000 0.645 463 V HN 0.449 nan 8.190 nan 0.000 0.447 464 R N -0.540 119.996 120.500 0.060 0.000 2.081 464 R HA -0.120 4.220 4.340 -0.000 0.000 0.235 464 R C 2.096 178.439 176.300 0.072 0.000 1.131 464 R CA 1.715 57.848 56.100 0.055 0.000 0.960 464 R CB -1.420 28.916 30.300 0.059 0.000 0.856 464 R HN 0.608 nan 8.270 nan 0.000 0.436 465 F N 2.091 122.041 119.950 0.000 0.000 2.046 465 F HA -0.213 4.314 4.527 -0.000 0.000 0.297 465 F C 2.091 177.890 175.800 -0.001 0.000 1.123 465 F CA 1.710 59.709 58.000 -0.003 0.000 1.199 465 F CB -0.067 38.946 39.000 0.023 0.000 0.972 465 F HN 0.045 nan 8.300 nan 0.000 0.474 466 E N 0.091 120.233 120.200 -0.097 0.000 2.077 466 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 466 E C 2.307 178.875 176.600 -0.053 0.000 0.989 466 E CA 1.603 57.953 56.400 -0.084 0.000 0.800 466 E CB -0.253 29.521 29.700 0.125 0.000 0.746 466 E HN 0.530 nan 8.360 nan 0.000 0.452 467 S N 1.143 116.809 115.700 -0.057 0.000 2.382 467 S HA -0.163 4.307 4.470 -0.000 0.000 0.228 467 S C 1.881 176.421 174.600 -0.100 0.000 1.027 467 S CA 0.840 59.007 58.200 -0.056 0.000 0.991 467 S CB -0.293 62.882 63.200 -0.043 0.000 0.823 467 S HN 0.180 nan 8.310 nan 0.000 0.469 468 R N 0.613 121.020 120.500 -0.155 0.000 2.062 468 R HA 0.097 4.437 4.340 -0.000 0.000 0.231 468 R C 2.470 178.601 176.300 -0.280 0.000 1.136 468 R CA 1.291 57.282 56.100 -0.182 0.000 0.948 468 R CB -0.729 29.472 30.300 -0.164 0.000 0.845 468 R HN 0.362 nan 8.270 nan 0.000 0.430 469 L N 0.059 120.983 121.223 -0.497 0.000 2.017 469 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 469 L C 1.829 178.297 176.870 -0.669 0.000 1.073 469 L CA 1.772 56.196 54.840 -0.692 0.000 0.745 469 L CB -0.527 40.843 42.059 -1.149 0.000 0.894 469 L HN 0.120 nan 8.230 nan 0.000 0.432 470 Y N -0.487 119.635 120.300 -0.297 0.000 2.314 470 Y HA -0.151 4.398 4.550 -0.000 0.000 0.293 470 Y C 2.563 178.390 175.900 -0.123 0.000 1.129 470 Y CA 1.345 59.304 58.100 -0.235 0.000 1.201 470 Y CB -0.398 37.903 38.460 -0.264 0.000 0.999 470 Y HN 0.201 nan 8.280 nan 0.000 0.541 471 K N 0.788 121.174 120.400 -0.024 0.000 2.026 471 K HA -0.203 4.117 4.320 -0.000 0.000 0.208 471 K C 1.868 178.472 176.600 0.007 0.000 1.048 471 K CA 1.867 58.157 56.287 0.006 0.000 0.929 471 K CB -0.540 31.940 32.500 -0.033 0.000 0.713 471 K HN 0.144 nan 8.250 nan 0.000 0.439 472 D N 0.406 120.757 120.400 -0.083 0.000 2.137 472 D HA -0.208 4.432 4.640 -0.000 0.000 0.189 472 D C 1.953 178.208 176.300 -0.074 0.000 0.998 472 D CA 2.003 55.945 54.000 -0.096 0.000 0.839 472 D CB -0.185 40.514 40.800 -0.167 0.000 0.962 472 D HN 0.316 nan 8.370 nan 0.000 0.446 473 I N -0.240 120.262 120.570 -0.114 0.000 2.163 473 I HA -0.311 3.859 4.170 -0.000 0.000 0.243 473 I C 2.513 178.637 176.117 0.013 0.000 1.085 473 I CA 1.187 62.442 61.300 -0.076 0.000 1.347 473 I CB -0.466 37.454 38.000 -0.133 0.000 1.044 473 I HN 0.124 nan 8.210 nan 0.000 0.408 474 Y N 1.320 121.591 120.300 -0.048 0.000 2.145 474 Y HA -0.320 4.230 4.550 -0.000 0.000 0.286 474 Y C 2.750 178.638 175.900 -0.020 0.000 1.145 474 Y CA 2.053 60.144 58.100 -0.016 0.000 1.148 474 Y CB -0.345 38.111 38.460 -0.006 0.000 0.981 474 Y HN 0.139 nan 8.280 nan 0.000 0.507 475 Q N -0.175 119.638 119.800 0.020 0.000 2.119 475 Q HA -0.149 4.191 4.340 -0.000 0.000 0.201 475 Q C 0.922 176.861 176.000 -0.102 0.000 0.972 475 Q CA 1.543 57.315 55.803 -0.051 0.000 0.847 475 Q CB -0.014 28.743 28.738 0.031 0.000 0.903 475 Q HN 0.445 nan 8.270 nan 0.000 0.433 476 N N 0.531 119.184 118.700 -0.078 0.000 2.268 476 N HA 0.112 4.852 4.740 -0.000 0.000 0.204 476 N C -0.642 174.824 175.510 -0.073 0.000 1.124 476 N CA 0.167 53.175 53.050 -0.069 0.000 0.838 476 N CB 0.388 38.842 38.487 -0.055 0.000 0.994 476 N HN 0.210 nan 8.380 nan 0.000 0.489 477 N N 0.000 118.640 118.700 -0.099 0.000 1.763 477 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 477 N CA 0.000 53.002 53.050 -0.079 0.000 0.885 477 N CB 0.000 38.457 38.487 -0.051 0.000 1.341 477 N HN 0.000 nan 8.380 nan 0.000 0.667