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 2rjb_1_B DATA FIRST_RESID 5 DATA SEQUENCE ITADEIREQF SQAXSAXYQQ EVPQYGTLLE LVADVNLAVL ENNPQLHEKX DATA SEQUENCE VNADELARLN VERHGAIRVG TAQELATLRR XFAIXGXYPV SYYDLSQAGV DATA SEQUENCE PVHSTAFRPI DDASLARNPF RVFTSLLRLE LIENEILRQK AAEILRQRDI DATA SEQUENCE FTPRCRQLLE EYEQQGGFNE TQAQEFVQEA LETFRWHQLA TVDEETYRAL DATA SEQUENCE HNEHRLIADV VCFPGCHINH LTPRTLDIDR VQSXXPECGI EPKILIEGPP DATA SEQUENCE RREVPILLRQ TSFKALEETV LFAGQKQGTH TARFGEIEQR GVALTPKGRQ DATA SEQUENCE LYDDLLRNAG TGQDNLTHQX HLQETFRTFP DSEFLXRQQG LAWFRYRLTP DATA SEQUENCE SGXXXXXAIH PGDDPQPLIE RGWVVAQPIT YEDFLPVSXX XXXXXXXXXX DATA SEQUENCE XXXXXXXNAS REAFEQALGC PVLDEFQLYQ EAEERSKRRC GL 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 5 I HA 0.000 nan 4.170 nan 0.000 0.288 5 I C 0.000 176.178 176.117 0.102 0.000 1.063 5 I CA 0.000 61.358 61.300 0.097 0.000 1.566 5 I CB 0.000 38.062 38.000 0.103 0.000 1.214 6 T N 0.648 115.256 114.554 0.090 0.000 2.899 6 T HA 0.580 4.930 4.350 -0.000 0.000 0.295 6 T C 1.043 175.806 174.700 0.105 0.000 1.033 6 T CA 0.406 62.559 62.100 0.088 0.000 1.084 6 T CB 1.430 70.343 68.868 0.074 0.000 0.979 6 T HN 0.842 nan 8.240 nan 0.000 0.532 7 A N 3.356 126.236 122.820 0.100 0.000 1.877 7 A HA -0.042 4.278 4.320 -0.000 0.000 0.216 7 A C 1.985 179.631 177.584 0.104 0.000 1.186 7 A CA 1.940 54.035 52.037 0.097 0.000 0.620 7 A CB -0.857 18.192 19.000 0.082 0.000 0.822 7 A HN 0.898 nan 8.150 nan 0.000 0.443 8 D N -0.536 119.922 120.400 0.098 0.000 2.158 8 D HA -0.186 4.454 4.640 -0.000 0.000 0.197 8 D C 1.823 178.179 176.300 0.092 0.000 0.995 8 D CA 1.599 55.657 54.000 0.096 0.000 0.846 8 D CB -0.345 40.506 40.800 0.084 0.000 0.941 8 D HN 0.740 nan 8.370 nan 0.000 0.456 9 E N -0.166 120.088 120.200 0.090 0.000 2.106 9 E HA -0.096 4.254 4.350 -0.000 0.000 0.192 9 E C 2.169 178.830 176.600 0.102 0.000 0.984 9 E CA 0.440 56.891 56.400 0.086 0.000 0.806 9 E CB 0.047 29.797 29.700 0.082 0.000 0.750 9 E HN 0.262 nan 8.360 nan 0.000 0.458 10 I N 0.452 121.099 120.570 0.128 0.000 2.193 10 I HA -0.231 3.939 4.170 -0.000 0.000 0.240 10 I C 2.838 179.050 176.117 0.159 0.000 1.084 10 I CA 0.865 62.262 61.300 0.163 0.000 1.365 10 I CB -0.417 37.708 38.000 0.207 0.000 1.064 10 I HN 0.096 nan 8.210 nan 0.000 0.410 11 R N 1.842 122.431 120.500 0.148 0.000 2.094 11 R HA -0.254 4.086 4.340 -0.000 0.000 0.239 11 R C 2.201 178.534 176.300 0.054 0.000 1.137 11 R CA 2.478 58.667 56.100 0.148 0.000 0.943 11 R CB -0.363 30.036 30.300 0.164 0.000 0.850 11 R HN 0.583 nan 8.270 nan 0.000 0.433 12 E N -0.118 120.112 120.200 0.050 0.000 2.204 12 E HA -0.233 4.117 4.350 -0.000 0.000 0.195 12 E C 1.868 178.457 176.600 -0.018 0.000 0.990 12 E CA 1.148 57.550 56.400 0.003 0.000 0.821 12 E CB -0.152 29.568 29.700 0.032 0.000 0.750 12 E HN 0.558 nan 8.360 nan 0.000 0.477 13 Q N -0.325 119.495 119.800 0.033 0.000 2.163 13 Q HA -0.044 4.296 4.340 -0.000 0.000 0.198 13 Q C 1.839 177.863 176.000 0.041 0.000 0.954 13 Q CA 0.891 56.717 55.803 0.038 0.000 0.851 13 Q CB -0.156 28.625 28.738 0.072 0.000 0.928 13 Q HN 0.282 nan 8.270 nan 0.000 0.459 14 F N 1.439 121.315 119.950 -0.122 0.000 2.046 14 F HA -0.265 4.262 4.527 -0.000 0.000 0.297 14 F C 2.516 178.130 175.800 -0.310 0.000 1.123 14 F CA 1.833 59.728 58.000 -0.175 0.000 1.199 14 F CB -0.951 37.950 39.000 -0.165 0.000 0.972 14 F HN -0.039 nan 8.300 nan 0.000 0.474 15 S N -0.316 114.954 115.700 -0.716 0.000 2.372 15 S HA -0.374 4.096 4.470 -0.000 0.000 0.227 15 S C 2.137 176.455 174.600 -0.470 0.000 1.044 15 S CA 1.957 59.551 58.200 -1.010 0.000 1.050 15 S CB -0.727 61.924 63.200 -0.915 0.000 0.901 15 S HN 0.651 nan 8.310 nan 0.000 0.447 16 Q N 1.520 121.169 119.800 -0.252 0.000 2.079 16 Q HA 0.229 4.569 4.340 -0.000 0.000 0.200 16 Q C 0.956 176.888 176.000 -0.114 0.000 0.974 16 Q CA 1.345 57.077 55.803 -0.118 0.000 0.840 16 Q CB -0.931 27.775 28.738 -0.053 0.000 0.898 16 Q HN 0.651 nan 8.270 nan 0.000 0.430 23 Q N 0.741 120.492 119.800 -0.081 0.000 2.084 23 Q HA -0.277 4.062 4.340 -0.000 0.000 0.202 23 Q C 1.801 177.762 176.000 -0.065 0.000 0.978 23 Q CA 2.364 58.202 55.803 0.059 0.000 0.844 23 Q CB 0.001 28.874 28.738 0.225 0.000 0.898 23 Q HN 0.506 nan 8.270 nan 0.000 0.426 24 Q N 0.579 120.340 119.800 -0.066 0.000 2.119 24 Q HA -0.149 4.191 4.340 -0.000 0.000 0.201 24 Q C 1.463 177.380 176.000 -0.138 0.000 0.972 24 Q CA 1.919 57.678 55.803 -0.075 0.000 0.847 24 Q CB 0.126 28.838 28.738 -0.043 0.000 0.903 24 Q HN 0.492 nan 8.270 nan 0.000 0.433 25 E N -1.319 118.758 120.200 -0.204 0.000 2.107 25 E HA -0.009 4.341 4.350 -0.000 0.000 0.191 25 E C -0.298 176.064 176.600 -0.396 0.000 0.982 25 E CA 0.905 57.139 56.400 -0.276 0.000 0.809 25 E CB 0.518 30.053 29.700 -0.276 0.000 0.756 25 E HN 0.013 nan 8.360 nan 0.000 0.459 26 V N 2.386 121.989 119.914 -0.519 0.000 2.320 26 V HA 0.096 4.216 4.120 -0.000 0.000 0.268 26 V C -2.019 173.912 176.094 -0.271 0.000 1.021 26 V CA -1.065 60.933 62.300 -0.504 0.000 0.813 26 V CB 1.236 32.543 31.823 -0.860 0.000 1.054 26 V HN -0.031 nan 8.190 nan 0.000 0.444 27 P HA -0.270 nan 4.420 nan 0.000 0.217 27 P C 1.809 179.116 177.300 0.012 0.000 1.158 27 P CA 1.379 64.446 63.100 -0.056 0.000 0.887 27 P CB 0.368 32.032 31.700 -0.059 0.000 0.792 28 Q N -1.551 118.264 119.800 0.024 0.000 2.133 28 Q HA -0.254 4.086 4.340 -0.000 0.000 0.208 28 Q C 2.059 178.166 176.000 0.178 0.000 0.991 28 Q CA 1.791 57.659 55.803 0.109 0.000 0.867 28 Q CB -1.428 27.429 28.738 0.199 0.000 0.911 28 Q HN 0.303 nan 8.270 nan 0.000 0.417 29 Y N -0.477 119.868 120.300 0.075 0.000 2.241 29 Y HA -0.212 4.338 4.550 -0.000 0.000 0.286 29 Y C 1.873 177.827 175.900 0.090 0.000 1.166 29 Y CA 1.917 60.107 58.100 0.149 0.000 1.203 29 Y CB -0.620 37.943 38.460 0.171 0.000 0.977 29 Y HN 0.184 nan 8.280 nan 0.000 0.529 30 G N -1.250 107.620 108.800 0.117 0.000 2.402 30 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.216 30 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.216 30 G C 1.635 176.499 174.900 -0.060 0.000 1.162 30 G CA 1.351 46.458 45.100 0.013 0.000 0.777 30 G HN 0.424 nan 8.290 nan 0.000 0.539 31 T N 1.103 115.638 114.554 -0.032 0.000 2.821 31 T HA -0.081 4.269 4.350 -0.000 0.000 0.267 31 T C 2.220 176.866 174.700 -0.089 0.000 1.046 31 T CA 1.033 63.102 62.100 -0.052 0.000 1.139 31 T CB -0.175 68.671 68.868 -0.036 0.000 0.871 31 T HN 0.126 nan 8.240 nan 0.000 0.454 32 L N 1.378 122.543 121.223 -0.097 0.000 1.989 32 L HA 0.013 4.353 4.340 -0.000 0.000 0.211 32 L C 2.172 178.939 176.870 -0.172 0.000 1.071 32 L CA 1.652 56.415 54.840 -0.129 0.000 0.749 32 L CB -0.911 41.117 42.059 -0.052 0.000 0.890 32 L HN 0.231 nan 8.230 nan 0.000 0.431 33 L N -0.505 120.552 121.223 -0.276 0.000 2.081 33 L HA -0.271 4.069 4.340 -0.000 0.000 0.212 33 L C 2.592 179.381 176.870 -0.134 0.000 1.080 33 L CA 1.847 56.543 54.840 -0.241 0.000 0.754 33 L CB -0.663 41.212 42.059 -0.308 0.000 0.893 33 L HN 0.495 nan 8.230 nan 0.000 0.433 34 E N 0.413 120.546 120.200 -0.112 0.000 2.028 34 E HA -0.265 4.085 4.350 -0.000 0.000 0.191 34 E C 2.191 178.750 176.600 -0.068 0.000 0.988 34 E CA 1.119 57.475 56.400 -0.074 0.000 0.799 34 E CB -0.070 29.594 29.700 -0.060 0.000 0.755 34 E HN 0.271 nan 8.360 nan 0.000 0.447 35 L N 0.697 121.873 121.223 -0.079 0.000 1.971 35 L HA -0.186 4.154 4.340 -0.000 0.000 0.215 35 L C 2.334 179.164 176.870 -0.067 0.000 1.072 35 L CA 1.665 56.461 54.840 -0.074 0.000 0.758 35 L CB -0.827 41.177 42.059 -0.093 0.000 0.889 35 L HN 0.100 nan 8.230 nan 0.000 0.433 36 V N 0.221 120.089 119.914 -0.076 0.000 2.453 36 V HA -0.345 3.775 4.120 -0.000 0.000 0.252 36 V C 2.755 178.819 176.094 -0.050 0.000 1.068 36 V CA 1.680 63.942 62.300 -0.063 0.000 1.070 36 V CB -1.381 30.400 31.823 -0.070 0.000 0.664 36 V HN 0.683 nan 8.190 nan 0.000 0.461 37 A N -0.339 122.450 122.820 -0.052 0.000 1.854 37 A HA -0.195 4.125 4.320 -0.000 0.000 0.214 37 A C 2.043 179.609 177.584 -0.030 0.000 1.192 37 A CA 1.658 53.673 52.037 -0.038 0.000 0.611 37 A CB -0.601 18.377 19.000 -0.037 0.000 0.832 37 A HN 0.510 nan 8.150 nan 0.000 0.442 38 D N -0.116 120.264 120.400 -0.032 0.000 2.133 38 D HA -0.132 4.507 4.640 -0.000 0.000 0.195 38 D C 2.040 178.326 176.300 -0.023 0.000 0.997 38 D CA 1.542 55.527 54.000 -0.026 0.000 0.840 38 D CB -0.407 40.375 40.800 -0.030 0.000 0.947 38 D HN 0.207 nan 8.370 nan 0.000 0.452 39 V N 1.592 121.488 119.914 -0.030 0.000 2.358 39 V HA -0.183 3.937 4.120 -0.000 0.000 0.246 39 V C 2.072 178.153 176.094 -0.021 0.000 1.047 39 V CA 1.334 63.618 62.300 -0.027 0.000 1.035 39 V CB -0.341 31.462 31.823 -0.034 0.000 0.658 39 V HN 0.147 nan 8.190 nan 0.000 0.452 40 N N 0.129 118.815 118.700 -0.024 0.000 2.142 40 N HA -0.121 4.619 4.740 -0.000 0.000 0.186 40 N C 1.696 177.198 175.510 -0.014 0.000 1.023 40 N CA 1.172 54.208 53.050 -0.023 0.000 0.852 40 N CB -0.507 37.963 38.487 -0.029 0.000 0.998 40 N HN 0.340 nan 8.380 nan 0.000 0.424 41 L N 1.316 122.534 121.223 -0.009 0.000 2.012 41 L HA -0.064 4.275 4.340 -0.000 0.000 0.210 41 L C 2.087 178.966 176.870 0.015 0.000 1.073 41 L CA 1.614 56.458 54.840 0.006 0.000 0.748 41 L CB -1.122 40.940 42.059 0.004 0.000 0.891 41 L HN 0.129 nan 8.230 nan 0.000 0.431 42 A N -1.073 121.749 122.820 0.005 0.000 1.845 42 A HA -0.163 4.157 4.320 -0.000 0.000 0.215 42 A C 2.292 179.883 177.584 0.012 0.000 1.195 42 A CA 2.104 54.145 52.037 0.007 0.000 0.616 42 A CB -1.287 17.711 19.000 -0.003 0.000 0.832 42 A HN 0.277 nan 8.150 nan 0.000 0.443 43 V N 0.304 120.221 119.914 0.005 0.000 2.313 43 V HA -0.328 3.791 4.120 -0.000 0.000 0.253 43 V C 2.593 178.701 176.094 0.024 0.000 1.070 43 V CA 2.270 64.574 62.300 0.007 0.000 1.057 43 V CB -0.744 31.077 31.823 -0.004 0.000 0.653 43 V HN 0.562 nan 8.190 nan 0.000 0.450 44 L N -0.700 120.543 121.223 0.034 0.000 2.072 44 L HA -0.158 4.182 4.340 -0.000 0.000 0.205 44 L C 2.525 179.460 176.870 0.109 0.000 1.079 44 L CA 1.871 56.760 54.840 0.082 0.000 0.752 44 L CB -0.610 41.502 42.059 0.088 0.000 0.906 44 L HN 0.371 nan 8.230 nan 0.000 0.436 45 E N 0.652 120.897 120.200 0.076 0.000 2.268 45 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 45 E C 1.185 177.805 176.600 0.033 0.000 0.995 45 E CA 0.921 57.353 56.400 0.052 0.000 0.836 45 E CB 0.108 29.828 29.700 0.034 0.000 0.763 45 E HN 0.582 nan 8.360 nan 0.000 0.491 46 N N -0.311 118.408 118.700 0.031 0.000 2.236 46 N HA 0.051 4.791 4.740 -0.000 0.000 0.196 46 N C -0.335 175.190 175.510 0.025 0.000 1.114 46 N CA -0.056 53.006 53.050 0.021 0.000 0.859 46 N CB 0.418 38.913 38.487 0.013 0.000 0.982 46 N HN -0.014 nan 8.380 nan 0.000 0.493 47 N N 0.579 119.302 118.700 0.039 0.000 2.732 47 N HA 0.115 4.855 4.740 -0.000 0.000 0.235 47 N C -2.317 173.235 175.510 0.069 0.000 1.466 47 N CA -1.367 51.709 53.050 0.042 0.000 0.751 47 N CB 1.072 39.580 38.487 0.035 0.000 1.317 47 N HN -0.138 nan 8.380 nan 0.000 0.525 48 P HA -0.173 nan 4.420 nan 0.000 0.218 48 P C 0.926 178.273 177.300 0.078 0.000 1.149 48 P CA 1.151 64.290 63.100 0.065 0.000 0.817 48 P CB 0.506 32.209 31.700 0.006 0.000 0.785 49 Q N -0.091 119.743 119.800 0.056 0.000 2.061 49 Q HA -0.117 4.223 4.340 -0.000 0.000 0.204 49 Q C 2.417 178.460 176.000 0.073 0.000 0.984 49 Q CA 1.243 57.078 55.803 0.054 0.000 0.846 49 Q CB -1.180 27.581 28.738 0.039 0.000 0.902 49 Q HN 0.221 nan 8.270 nan 0.000 0.421 50 L N -0.275 120.991 121.223 0.073 0.000 2.046 50 L HA -0.245 4.095 4.340 -0.000 0.000 0.208 50 L C 2.491 179.414 176.870 0.088 0.000 1.077 50 L CA 1.413 56.291 54.840 0.064 0.000 0.747 50 L CB -0.302 41.783 42.059 0.044 0.000 0.896 50 L HN 0.470 nan 8.230 nan 0.000 0.432 51 H N 0.591 119.669 119.070 0.014 0.000 2.319 51 H HA -0.207 4.349 4.556 -0.000 0.000 0.299 51 H C 1.985 177.324 175.328 0.018 0.000 1.092 51 H CA 2.237 58.293 56.048 0.014 0.000 1.302 51 H CB 0.094 29.863 29.762 0.012 0.000 1.373 51 H HN 0.487 nan 8.280 nan 0.000 0.497 52 E N 0.943 121.295 120.200 0.253 0.000 2.023 52 E HA -0.106 4.244 4.350 -0.000 0.000 0.196 52 E C 1.173 177.845 176.600 0.120 0.000 1.003 52 E CA 0.596 57.096 56.400 0.166 0.000 0.809 52 E CB 0.084 29.836 29.700 0.087 0.000 0.755 52 E HN 0.369 nan 8.360 nan 0.000 0.449 56 N N 1.433 120.173 118.700 0.067 0.000 2.457 56 N HA 0.108 4.848 4.740 -0.000 0.000 0.180 56 N C 1.300 176.843 175.510 0.055 0.000 1.050 56 N CA 1.365 54.452 53.050 0.061 0.000 0.906 56 N CB 0.374 38.899 38.487 0.064 0.000 0.968 56 N HN 0.611 nan 8.380 nan 0.000 0.445 57 A N 0.096 122.946 122.820 0.050 0.000 2.535 57 A HA 0.091 4.411 4.320 -0.000 0.000 0.273 57 A C 0.179 177.786 177.584 0.038 0.000 1.267 57 A CA -0.299 51.767 52.037 0.047 0.000 0.940 57 A CB 0.174 19.202 19.000 0.046 0.000 1.101 57 A HN 0.056 nan 8.150 nan 0.000 0.521 58 D N 0.571 120.993 120.400 0.036 0.000 2.740 58 D HA -0.161 4.479 4.640 -0.000 0.000 0.231 58 D C 0.252 176.565 176.300 0.023 0.000 1.194 58 D CA 1.225 55.243 54.000 0.031 0.000 0.673 58 D CB -0.892 39.929 40.800 0.034 0.000 0.995 58 D HN 0.717 nan 8.370 nan 0.000 0.411 59 E N -0.339 119.869 120.200 0.013 0.000 2.758 59 E HA 0.142 4.492 4.350 -0.000 0.000 0.215 59 E C 1.514 178.105 176.600 -0.014 0.000 0.985 59 E CA -0.288 56.114 56.400 0.005 0.000 1.102 59 E CB 0.693 30.397 29.700 0.007 0.000 1.042 59 E HN 0.375 nan 8.360 nan 0.000 0.480 60 L N 0.091 121.300 121.223 -0.023 0.000 2.357 60 L HA 0.226 4.566 4.340 -0.000 0.000 0.211 60 L C 2.206 179.059 176.870 -0.029 0.000 1.075 60 L CA 0.647 55.455 54.840 -0.054 0.000 0.830 60 L CB 0.122 42.123 42.059 -0.096 0.000 0.996 60 L HN 0.142 nan 8.230 nan 0.000 0.467 61 A N 1.427 124.244 122.820 -0.006 0.000 1.908 61 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 61 A C 2.200 179.790 177.584 0.011 0.000 1.181 61 A CA 1.985 54.027 52.037 0.007 0.000 0.627 61 A CB -0.520 18.491 19.000 0.018 0.000 0.818 61 A HN 0.647 nan 8.150 nan 0.000 0.445 62 R N -0.603 119.904 120.500 0.012 0.000 2.075 62 R HA 0.021 4.360 4.340 -0.000 0.000 0.232 62 R C 1.858 178.167 176.300 0.015 0.000 1.126 62 R CA 1.395 57.507 56.100 0.020 0.000 0.963 62 R CB -1.059 29.255 30.300 0.023 0.000 0.858 62 R HN 0.317 nan 8.270 nan 0.000 0.435 63 L N 1.932 123.155 121.223 0.000 0.000 2.197 63 L HA -0.197 4.143 4.340 -0.000 0.000 0.215 63 L C 1.276 178.145 176.870 -0.002 0.000 1.095 63 L CA 1.829 56.665 54.840 -0.006 0.000 0.764 63 L CB -0.598 41.445 42.059 -0.025 0.000 0.897 63 L HN 0.331 nan 8.230 nan 0.000 0.436 64 N N -0.729 117.971 118.700 -0.000 0.000 2.396 64 N HA -0.062 4.678 4.740 -0.000 0.000 0.180 64 N C 1.373 176.892 175.510 0.014 0.000 1.028 64 N CA 1.672 54.724 53.050 0.002 0.000 0.893 64 N CB 0.238 38.727 38.487 0.003 0.000 0.967 64 N HN 0.544 nan 8.380 nan 0.000 0.440 65 V N -2.036 117.893 119.914 0.026 0.000 3.330 65 V HA 0.271 4.391 4.120 -0.000 0.000 0.309 65 V C 0.370 176.504 176.094 0.066 0.000 1.481 65 V CA -0.458 61.867 62.300 0.041 0.000 1.068 65 V CB -0.203 31.643 31.823 0.038 0.000 0.935 65 V HN -0.075 nan 8.190 nan 0.000 0.453 66 E N 2.193 122.427 120.200 0.057 0.000 2.415 66 E HA 0.429 4.779 4.350 -0.000 0.000 0.263 66 E C -0.092 176.560 176.600 0.086 0.000 0.995 66 E CA 0.192 56.636 56.400 0.072 0.000 0.915 66 E CB 0.449 30.175 29.700 0.042 0.000 0.951 66 E HN 0.616 nan 8.360 nan 0.000 0.449 67 R N 2.417 122.996 120.500 0.130 0.000 2.690 67 R HA 0.285 4.625 4.340 -0.000 0.000 0.269 67 R C -1.270 175.097 176.300 0.111 0.000 1.037 67 R CA -0.887 55.282 56.100 0.115 0.000 0.877 67 R CB 1.635 32.044 30.300 0.181 0.000 1.255 67 R HN 0.759 nan 8.270 nan 0.000 0.467 68 H N -0.836 118.240 119.070 0.009 0.000 2.954 68 H HA 0.581 5.137 4.556 -0.000 0.000 0.361 68 H C -1.291 173.952 175.328 -0.141 0.000 1.122 68 H CA -0.875 55.087 56.048 -0.142 0.000 1.217 68 H CB 2.375 32.141 29.762 0.008 0.000 1.776 68 H HN 0.723 nan 8.280 nan 0.000 0.533 69 G N 0.686 109.398 108.800 -0.147 0.000 2.471 69 G HA2 0.646 4.606 3.960 -0.000 0.000 0.332 69 G HA3 0.646 4.606 3.960 -0.000 0.000 0.332 69 G C -1.291 173.525 174.900 -0.139 0.000 1.176 69 G CA -0.490 44.495 45.100 -0.193 0.000 0.949 69 G HN 0.817 nan 8.290 nan 0.000 0.488 70 A N 0.427 123.059 122.820 -0.314 0.000 2.359 70 A HA 0.759 5.079 4.320 -0.000 0.000 0.303 70 A C -0.440 177.059 177.584 -0.142 0.000 1.066 70 A CA -0.629 51.248 52.037 -0.265 0.000 0.730 70 A CB 0.805 19.394 19.000 -0.685 0.000 1.211 70 A HN 1.400 nan 8.150 nan 0.000 0.439 71 I N -1.166 119.400 120.570 -0.007 0.000 3.074 71 I HA 0.866 5.036 4.170 -0.000 0.000 0.310 71 I C -0.818 175.352 176.117 0.089 0.000 1.153 71 I CA -1.335 60.011 61.300 0.078 0.000 0.993 71 I CB 2.373 40.474 38.000 0.168 0.000 1.237 71 I HN 0.602 nan 8.210 nan 0.000 0.443 72 R N 2.305 122.863 120.500 0.096 0.000 2.686 72 R HA 0.808 5.148 4.340 -0.000 0.000 0.286 72 R C -1.218 175.121 176.300 0.065 0.000 0.969 72 R CA -0.888 55.258 56.100 0.077 0.000 0.898 72 R CB 2.649 32.993 30.300 0.075 0.000 1.183 72 R HN 0.658 nan 8.270 nan 0.000 0.456 73 V N -1.448 118.510 119.914 0.074 0.000 2.962 73 V HA 0.729 4.849 4.120 -0.000 0.000 0.313 73 V C 0.496 176.621 176.094 0.051 0.000 1.099 73 V CA -0.627 61.702 62.300 0.049 0.000 0.971 73 V CB 1.891 33.756 31.823 0.070 0.000 1.028 73 V HN 0.874 nan 8.190 nan 0.000 0.430 74 G N 1.004 109.816 108.800 0.020 0.000 2.796 74 G HA2 0.408 4.368 3.960 -0.000 0.000 0.210 74 G HA3 0.408 4.368 3.960 -0.000 0.000 0.210 74 G C 0.535 175.457 174.900 0.036 0.000 1.146 74 G CA 0.841 45.957 45.100 0.027 0.000 0.779 74 G HN 1.175 nan 8.290 nan 0.000 0.535 75 T N -4.200 110.373 114.554 0.032 0.000 2.887 75 T HA 0.649 4.999 4.350 -0.000 0.000 0.292 75 T C 1.220 175.941 174.700 0.036 0.000 1.087 75 T CA 0.228 62.349 62.100 0.034 0.000 1.009 75 T CB 1.739 70.618 68.868 0.018 0.000 1.203 75 T HN 0.155 nan 8.240 nan 0.000 0.518 76 A N 0.158 122.993 122.820 0.025 0.000 1.969 76 A HA -0.001 4.318 4.320 -0.000 0.000 0.218 76 A C 2.178 179.763 177.584 0.002 0.000 1.169 76 A CA 1.469 53.505 52.037 -0.002 0.000 0.635 76 A CB -0.991 18.004 19.000 -0.008 0.000 0.810 76 A HN 0.870 nan 8.150 nan 0.000 0.445 77 Q N 0.224 120.036 119.800 0.019 0.000 2.050 77 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 77 Q C 1.849 177.897 176.000 0.079 0.000 0.980 77 Q CA 1.811 57.634 55.803 0.034 0.000 0.840 77 Q CB -0.326 28.434 28.738 0.037 0.000 0.898 77 Q HN 0.774 nan 8.270 nan 0.000 0.424 78 E N 0.418 120.676 120.200 0.097 0.000 2.118 78 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 78 E C 1.916 178.621 176.600 0.175 0.000 0.992 78 E CA 1.067 57.571 56.400 0.173 0.000 0.804 78 E CB -0.193 29.526 29.700 0.030 0.000 0.741 78 E HN 0.199 nan 8.360 nan 0.000 0.458 79 L N 0.899 122.175 121.223 0.089 0.000 2.109 79 L HA -0.023 4.317 4.340 -0.000 0.000 0.207 79 L C 2.217 179.113 176.870 0.044 0.000 1.086 79 L CA 1.779 56.665 54.840 0.078 0.000 0.760 79 L CB -0.501 41.571 42.059 0.021 0.000 0.910 79 L HN 0.023 nan 8.230 nan 0.000 0.437 80 A N -1.259 121.565 122.820 0.007 0.000 1.902 80 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 80 A C 2.257 179.800 177.584 -0.069 0.000 1.181 80 A CA 2.301 54.326 52.037 -0.020 0.000 0.623 80 A CB -1.259 17.725 19.000 -0.028 0.000 0.818 80 A HN 0.503 nan 8.150 nan 0.000 0.443 81 T N 0.342 114.841 114.554 -0.091 0.000 2.788 81 T HA -0.080 4.270 4.350 -0.000 0.000 0.268 81 T C 1.791 176.255 174.700 -0.394 0.000 1.044 81 T CA 1.331 63.258 62.100 -0.288 0.000 1.139 81 T CB -0.333 68.268 68.868 -0.445 0.000 0.867 81 T HN 0.345 nan 8.240 nan 0.000 0.454 82 L N 0.755 121.831 121.223 -0.245 0.000 2.083 82 L HA -0.090 4.250 4.340 -0.000 0.000 0.209 82 L C 2.859 179.309 176.870 -0.700 0.000 1.083 82 L CA 1.337 55.895 54.840 -0.471 0.000 0.752 82 L CB -0.409 41.510 42.059 -0.233 0.000 0.899 82 L HN 0.246 nan 8.230 nan 0.000 0.433 83 R N 0.454 120.758 120.500 -0.326 0.000 2.105 83 R HA -0.132 4.208 4.340 -0.000 0.000 0.239 83 R C 1.240 177.468 176.300 -0.121 0.000 1.135 83 R CA 0.746 56.791 56.100 -0.092 0.000 0.967 83 R CB -0.004 30.432 30.300 0.228 0.000 0.861 83 R HN 0.241 nan 8.270 nan 0.000 0.442 87 A N 0.922 123.685 122.820 -0.095 0.000 1.930 87 A HA 0.093 4.413 4.320 -0.000 0.000 0.217 87 A C 1.371 178.797 177.584 -0.264 0.000 1.175 87 A CA 0.768 52.666 52.037 -0.230 0.000 0.627 87 A CB -0.630 18.292 19.000 -0.130 0.000 0.815 87 A HN 0.223 nan 8.150 nan 0.000 0.443 93 P HA 0.161 nan 4.420 nan 0.000 0.273 93 P C -0.707 176.514 177.300 -0.131 0.000 1.428 93 P CA 0.136 62.998 63.100 -0.397 0.000 0.995 93 P CB 0.456 31.930 31.700 -0.377 0.000 1.286 94 V N 2.955 122.810 119.914 -0.098 0.000 2.432 94 V HA 0.332 4.452 4.120 -0.000 0.000 0.271 94 V C 0.986 177.065 176.094 -0.025 0.000 1.046 94 V CA 0.203 62.468 62.300 -0.060 0.000 0.945 94 V CB 0.057 31.838 31.823 -0.071 0.000 0.992 94 V HN 0.894 nan 8.190 nan 0.000 0.471 95 S N 3.688 119.358 115.700 -0.051 0.000 3.960 95 S HA -0.197 4.273 4.470 -0.000 0.000 0.671 95 S C -1.138 173.406 174.600 -0.093 0.000 1.405 95 S CA 0.278 58.414 58.200 -0.106 0.000 1.519 95 S CB -0.443 62.642 63.200 -0.192 0.000 0.362 95 S HN 1.523 nan 8.310 nan 0.000 1.244 96 Y N 1.655 121.691 120.300 -0.440 0.000 2.421 96 Y HA 0.667 5.217 4.550 -0.000 0.000 0.339 96 Y C -1.434 174.125 175.900 -0.568 0.000 0.996 96 Y CA -0.724 57.128 58.100 -0.414 0.000 1.046 96 Y CB 1.092 39.392 38.460 -0.267 0.000 1.226 96 Y HN 0.636 nan 8.280 nan 0.000 0.445 97 Y N 4.246 124.042 120.300 -0.839 0.000 2.350 97 Y HA 0.345 4.895 4.550 -0.000 0.000 0.338 97 Y C -0.589 174.783 175.900 -0.880 0.000 0.961 97 Y CA -1.316 56.414 58.100 -0.615 0.000 1.100 97 Y CB 1.523 39.902 38.460 -0.135 0.000 1.179 97 Y HN 0.555 nan 8.280 nan 0.000 0.454 98 D N 3.546 123.650 120.400 -0.492 0.000 2.493 98 D HA 0.216 4.855 4.640 -0.000 0.000 0.235 98 D C -0.002 176.264 176.300 -0.055 0.000 1.117 98 D CA -0.202 53.647 54.000 -0.252 0.000 0.930 98 D CB 0.748 41.518 40.800 -0.051 0.000 1.010 98 D HN 0.485 nan 8.370 nan 0.000 0.514 99 L N 2.286 123.495 121.223 -0.024 0.000 2.551 99 L HA -0.019 4.321 4.340 -0.000 0.000 0.228 99 L C 2.354 179.226 176.870 0.002 0.000 1.153 99 L CA 0.643 55.494 54.840 0.017 0.000 0.851 99 L CB -0.562 41.524 42.059 0.045 0.000 0.959 99 L HN 0.403 nan 8.230 nan 0.000 0.451 100 S N -1.123 114.567 115.700 -0.016 0.000 2.547 100 S HA -0.151 4.319 4.470 -0.000 0.000 0.235 100 S C 1.789 176.389 174.600 -0.000 0.000 0.980 100 S CA 0.471 58.656 58.200 -0.024 0.000 0.941 100 S CB -0.111 63.059 63.200 -0.049 0.000 0.763 100 S HN 0.428 nan 8.310 nan 0.000 0.532 101 Q N 1.378 121.186 119.800 0.014 0.000 2.172 101 Q HA 0.272 4.612 4.340 -0.000 0.000 0.200 101 Q C 2.051 178.066 176.000 0.026 0.000 0.964 101 Q CA 1.423 57.241 55.803 0.025 0.000 0.855 101 Q CB -1.020 27.739 28.738 0.036 0.000 0.918 101 Q HN 0.728 nan 8.270 nan 0.000 0.444 102 A N -0.288 122.548 122.820 0.026 0.000 2.327 102 A HA 0.507 4.827 4.320 -0.000 0.000 0.228 102 A C 1.323 178.927 177.584 0.033 0.000 1.275 102 A CA 0.875 52.929 52.037 0.028 0.000 0.875 102 A CB -0.370 18.647 19.000 0.027 0.000 0.925 102 A HN 0.400 nan 8.150 nan 0.000 0.493 103 G N -1.232 107.586 108.800 0.029 0.000 2.956 103 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.210 103 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.210 103 G C 0.428 175.339 174.900 0.018 0.000 1.316 103 G CA -0.144 44.982 45.100 0.043 0.000 0.819 103 G HN 0.818 nan 8.290 nan 0.000 0.544 104 V N 4.660 124.580 119.914 0.010 0.000 2.681 104 V HA 0.260 4.380 4.120 -0.000 0.000 0.306 104 V C -1.183 174.820 176.094 -0.152 0.000 1.077 104 V CA 0.814 63.042 62.300 -0.120 0.000 1.224 104 V CB 1.010 32.801 31.823 -0.053 0.000 0.879 104 V HN 0.460 nan 8.190 nan 0.000 0.494 105 P HA 0.323 nan 4.420 nan 0.000 0.225 105 P C -0.839 176.392 177.300 -0.116 0.000 1.830 105 P CA 0.164 63.166 63.100 -0.165 0.000 1.051 105 P CB 0.256 31.848 31.700 -0.181 0.000 1.929 106 V N -0.227 119.639 119.914 -0.080 0.000 3.225 106 V HA 0.684 4.804 4.120 -0.000 0.000 0.293 106 V C -1.831 174.289 176.094 0.043 0.000 1.405 106 V CA -1.027 61.276 62.300 0.005 0.000 1.038 106 V CB 2.393 34.236 31.823 0.033 0.000 1.123 106 V HN 0.488 nan 8.190 nan 0.000 0.447 107 H N 0.197 119.233 119.070 -0.057 0.000 2.851 107 H HA 0.957 5.513 4.556 -0.000 0.000 0.372 107 H C -0.656 174.459 175.328 -0.355 0.000 1.158 107 H CA -0.957 54.960 56.048 -0.219 0.000 1.159 107 H CB 1.405 31.102 29.762 -0.109 0.000 1.757 107 H HN 0.918 nan 8.280 nan 0.000 0.546 108 S N 0.300 115.669 115.700 -0.553 0.000 2.794 108 S HA 0.770 5.240 4.470 -0.000 0.000 0.299 108 S C -0.593 173.651 174.600 -0.595 0.000 1.179 108 S CA -0.605 57.214 58.200 -0.636 0.000 0.838 108 S CB 2.428 65.070 63.200 -0.929 0.000 1.206 108 S HN 0.946 nan 8.310 nan 0.000 0.523 109 T N -0.312 114.036 114.554 -0.344 0.000 2.821 109 T HA 0.697 5.047 4.350 -0.000 0.000 0.306 109 T C -2.042 172.571 174.700 -0.146 0.000 1.313 109 T CA -0.317 61.743 62.100 -0.067 0.000 1.012 109 T CB 1.386 70.290 68.868 0.059 0.000 1.298 109 T HN 0.994 nan 8.240 nan 0.000 0.502 110 A N 2.117 124.943 122.820 0.011 0.000 2.331 110 A HA 0.792 5.112 4.320 -0.000 0.000 0.320 110 A C -1.241 176.268 177.584 -0.124 0.000 1.138 110 A CA -0.524 51.549 52.037 0.059 0.000 0.790 110 A CB 0.373 19.626 19.000 0.422 0.000 1.206 110 A HN 0.646 nan 8.150 nan 0.000 0.470 111 F N 2.577 122.505 119.950 -0.037 0.000 2.404 111 F HA 0.577 5.104 4.527 -0.000 0.000 0.358 111 F C 1.087 176.793 175.800 -0.156 0.000 1.120 111 F CA 0.312 58.244 58.000 -0.112 0.000 1.144 111 F CB 1.119 39.913 39.000 -0.343 0.000 1.133 111 F HN 0.759 nan 8.300 nan 0.000 0.495 112 R N 3.005 123.553 120.500 0.081 0.000 2.781 112 R HA 0.696 5.035 4.340 -0.000 0.000 0.269 112 R C -3.424 172.954 176.300 0.130 0.000 1.025 112 R CA -2.252 53.876 56.100 0.047 0.000 0.914 112 R CB 1.294 31.586 30.300 -0.013 0.000 1.236 112 R HN 0.146 nan 8.270 nan 0.000 0.465 113 P HA 0.200 nan 4.420 nan 0.000 0.273 113 P C 0.065 177.445 177.300 0.133 0.000 1.250 113 P CA -0.488 62.724 63.100 0.188 0.000 0.793 113 P CB 0.465 32.244 31.700 0.132 0.000 1.011 114 I N -4.204 116.435 120.570 0.114 0.000 4.541 114 I HA 0.349 4.519 4.170 -0.000 0.000 0.337 114 I C 0.005 176.093 176.117 -0.049 0.000 1.338 114 I CA -0.018 61.267 61.300 -0.026 0.000 1.244 114 I CB 0.459 38.399 38.000 -0.100 0.000 1.417 114 I HN 0.101 nan 8.210 nan 0.000 0.501 115 D N 2.515 122.919 120.400 0.008 0.000 2.256 115 D HA 0.033 4.672 4.640 -0.000 0.000 0.250 115 D C 0.236 176.542 176.300 0.010 0.000 1.093 115 D CA 0.014 54.016 54.000 0.003 0.000 0.882 115 D CB 1.645 42.466 40.800 0.035 0.000 1.185 115 D HN 0.050 nan 8.370 nan 0.000 0.437 116 D N 3.349 123.750 120.400 0.002 0.000 2.126 116 D HA -0.209 4.431 4.640 -0.000 0.000 0.190 116 D C 1.716 178.033 176.300 0.027 0.000 1.001 116 D CA 1.825 55.833 54.000 0.013 0.000 0.841 116 D CB -0.366 40.444 40.800 0.017 0.000 0.949 116 D HN 0.591 nan 8.370 nan 0.000 0.446 117 A N 0.432 123.271 122.820 0.032 0.000 1.930 117 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 117 A C 2.480 180.092 177.584 0.046 0.000 1.175 117 A CA 1.737 53.797 52.037 0.038 0.000 0.627 117 A CB -0.513 18.511 19.000 0.039 0.000 0.815 117 A HN 0.150 nan 8.150 nan 0.000 0.443 118 S N -0.335 115.396 115.700 0.053 0.000 2.355 118 S HA -0.055 4.415 4.470 -0.000 0.000 0.222 118 S C 1.812 176.451 174.600 0.065 0.000 1.031 118 S CA 1.306 59.547 58.200 0.069 0.000 0.993 118 S CB -0.414 62.840 63.200 0.090 0.000 0.859 118 S HN 0.521 nan 8.310 nan 0.000 0.453 119 L N 0.923 122.176 121.223 0.051 0.000 2.191 119 L HA -0.124 4.216 4.340 -0.000 0.000 0.212 119 L C 2.512 179.406 176.870 0.039 0.000 1.103 119 L CA 1.066 55.930 54.840 0.041 0.000 0.769 119 L CB -0.485 41.585 42.059 0.018 0.000 0.908 119 L HN 0.319 nan 8.230 nan 0.000 0.438 120 A N -0.419 122.424 122.820 0.039 0.000 2.067 120 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 120 A C 2.405 180.013 177.584 0.040 0.000 1.156 120 A CA 1.038 53.096 52.037 0.036 0.000 0.683 120 A CB -0.299 18.722 19.000 0.035 0.000 0.808 120 A HN 0.363 nan 8.150 nan 0.000 0.455 121 R N -1.153 119.376 120.500 0.048 0.000 2.087 121 R HA 0.068 4.408 4.340 -0.000 0.000 0.216 121 R C -0.280 176.054 176.300 0.056 0.000 1.114 121 R CA 0.882 57.012 56.100 0.049 0.000 1.002 121 R CB 0.233 30.564 30.300 0.053 0.000 0.903 121 R HN 0.396 nan 8.270 nan 0.000 0.445 122 N N 0.028 118.771 118.700 0.071 0.000 2.699 122 N HA 0.114 4.854 4.740 -0.000 0.000 0.271 122 N C -2.696 172.885 175.510 0.120 0.000 1.216 122 N CA -1.141 51.963 53.050 0.091 0.000 0.844 122 N CB 2.255 40.796 38.487 0.090 0.000 1.462 122 N HN 0.025 nan 8.380 nan 0.000 0.555 123 P HA 0.102 nan 4.420 nan 0.000 0.253 123 P C 0.156 177.534 177.300 0.130 0.000 1.508 123 P CA -0.330 62.827 63.100 0.094 0.000 0.883 123 P CB -0.793 30.931 31.700 0.040 0.000 1.519 124 F N 2.492 122.460 119.950 0.030 0.000 2.579 124 F HA -0.070 4.457 4.527 -0.000 0.000 0.397 124 F C 0.651 176.466 175.800 0.026 0.000 1.027 124 F CA 0.662 58.680 58.000 0.030 0.000 1.217 124 F CB 0.329 39.352 39.000 0.039 0.000 0.986 124 F HN -0.028 nan 8.300 nan 0.000 0.551 125 R N 3.450 123.613 120.500 -0.561 0.000 2.854 125 R HA 0.810 5.150 4.340 -0.000 0.000 0.271 125 R C -1.637 174.295 176.300 -0.612 0.000 0.994 125 R CA -1.235 54.624 56.100 -0.401 0.000 0.945 125 R CB 2.402 32.637 30.300 -0.108 0.000 1.194 125 R HN 0.405 nan 8.270 nan 0.000 0.476 126 V N 2.695 122.400 119.914 -0.348 0.000 2.532 126 V HA 0.229 4.349 4.120 -0.000 0.000 0.294 126 V C -1.226 174.860 176.094 -0.014 0.000 1.036 126 V CA -0.702 61.432 62.300 -0.277 0.000 0.876 126 V CB 1.491 33.020 31.823 -0.490 0.000 1.012 126 V HN 0.582 nan 8.190 nan 0.000 0.432 127 F N 4.265 124.082 119.950 -0.222 0.000 2.506 127 F HA 0.517 5.044 4.527 -0.000 0.000 0.371 127 F C 0.617 176.354 175.800 -0.105 0.000 1.078 127 F CA 0.532 58.321 58.000 -0.351 0.000 1.195 127 F CB 0.879 39.440 39.000 -0.732 0.000 1.099 127 F HN 0.443 nan 8.300 nan 0.000 0.548 128 T N 5.143 119.480 114.554 -0.362 0.000 2.815 128 T HA 0.391 4.741 4.350 -0.000 0.000 0.289 128 T C -0.667 173.900 174.700 -0.222 0.000 1.000 128 T CA -0.649 61.409 62.100 -0.070 0.000 0.958 128 T CB 1.005 70.120 68.868 0.411 0.000 0.944 128 T HN 0.503 nan 8.240 nan 0.000 0.442 129 S N 2.678 118.293 115.700 -0.141 0.000 2.509 129 S HA 0.630 5.100 4.470 -0.000 0.000 0.297 129 S C -0.783 173.883 174.600 0.109 0.000 1.118 129 S CA -0.760 57.394 58.200 -0.077 0.000 1.074 129 S CB 1.269 64.423 63.200 -0.078 0.000 1.038 129 S HN 0.569 nan 8.310 nan 0.000 0.498 130 L N 4.110 125.467 121.223 0.224 0.000 2.294 130 L HA 0.551 4.890 4.340 -0.000 0.000 0.283 130 L C -0.645 176.388 176.870 0.271 0.000 1.015 130 L CA -0.750 54.255 54.840 0.275 0.000 0.831 130 L CB 0.769 43.055 42.059 0.377 0.000 1.217 130 L HN 0.637 nan 8.230 nan 0.000 0.420 131 L N 5.476 126.788 121.223 0.149 0.000 2.506 131 L HA 0.183 4.523 4.340 -0.000 0.000 0.281 131 L C -0.002 176.924 176.870 0.093 0.000 1.228 131 L CA 0.848 55.740 54.840 0.086 0.000 0.850 131 L CB 0.138 42.227 42.059 0.049 0.000 1.110 131 L HN 0.657 nan 8.230 nan 0.000 0.496 132 R N 5.811 126.321 120.500 0.017 0.000 2.396 132 R HA 0.248 4.588 4.340 -0.000 0.000 0.292 132 R C 0.948 177.239 176.300 -0.015 0.000 1.240 132 R CA -0.411 55.677 56.100 -0.019 0.000 1.270 132 R CB 0.423 30.637 30.300 -0.143 0.000 1.108 132 R HN 0.759 nan 8.270 nan 0.000 0.573 133 L N 1.887 123.115 121.223 0.010 0.000 2.051 133 L HA -0.281 4.059 4.340 -0.000 0.000 0.214 133 L C 2.450 179.319 176.870 -0.002 0.000 1.076 133 L CA 1.489 56.332 54.840 0.005 0.000 0.758 133 L CB -0.345 41.722 42.059 0.014 0.000 0.890 133 L HN 0.613 nan 8.230 nan 0.000 0.433 134 E N 0.565 120.764 120.200 -0.001 0.000 2.501 134 E HA -0.219 4.131 4.350 -0.000 0.000 0.203 134 E C 1.157 177.750 176.600 -0.012 0.000 1.072 134 E CA 1.057 57.455 56.400 -0.003 0.000 0.885 134 E CB -0.084 29.617 29.700 0.001 0.000 0.813 134 E HN 0.372 nan 8.360 nan 0.000 0.556 135 L N 1.139 122.350 121.223 -0.021 0.000 3.066 135 L HA 0.378 4.718 4.340 -0.000 0.000 0.265 135 L C 0.030 176.892 176.870 -0.014 0.000 1.232 135 L CA -0.211 54.614 54.840 -0.024 0.000 1.031 135 L CB 0.300 42.330 42.059 -0.048 0.000 1.379 135 L HN 0.066 nan 8.230 nan 0.000 0.563 136 I N -0.406 120.161 120.570 -0.006 0.000 2.312 136 I HA 0.155 4.325 4.170 -0.000 0.000 0.290 136 I C 1.172 177.292 176.117 0.006 0.000 1.008 136 I CA -0.531 60.770 61.300 0.002 0.000 1.226 136 I CB 1.383 39.385 38.000 0.003 0.000 1.371 136 I HN 0.125 nan 8.210 nan 0.000 0.468 137 E N 3.847 124.054 120.200 0.011 0.000 2.026 137 E HA -0.219 4.131 4.350 -0.000 0.000 0.206 137 E C 0.826 177.431 176.600 0.009 0.000 1.028 137 E CA 1.256 57.662 56.400 0.011 0.000 0.845 137 E CB -0.365 29.343 29.700 0.014 0.000 0.772 137 E HN 0.587 nan 8.360 nan 0.000 0.462 138 N N 2.259 120.964 118.700 0.009 0.000 2.427 138 N HA -0.102 4.638 4.740 -0.000 0.000 0.269 138 N C 0.693 176.207 175.510 0.007 0.000 1.235 138 N CA 0.257 53.312 53.050 0.008 0.000 0.934 138 N CB 0.772 39.264 38.487 0.008 0.000 1.121 138 N HN 0.049 nan 8.380 nan 0.000 0.480 139 E N 3.838 124.041 120.200 0.006 0.000 2.472 139 E HA -0.072 4.278 4.350 -0.000 0.000 0.200 139 E C 1.241 177.844 176.600 0.004 0.000 1.046 139 E CA 0.423 56.826 56.400 0.005 0.000 0.871 139 E CB 0.257 29.960 29.700 0.005 0.000 0.806 139 E HN 0.710 nan 8.360 nan 0.000 0.533 140 I N -0.635 119.937 120.570 0.004 0.000 2.364 140 I HA -0.173 3.997 4.170 -0.000 0.000 0.241 140 I C 2.420 178.539 176.117 0.003 0.000 1.082 140 I CA 0.259 61.561 61.300 0.004 0.000 1.401 140 I CB -0.376 37.626 38.000 0.003 0.000 1.126 140 I HN 0.003 nan 8.210 nan 0.000 0.429 141 L N 0.904 122.130 121.223 0.004 0.000 2.043 141 L HA -0.269 4.071 4.340 -0.000 0.000 0.212 141 L C 2.863 179.735 176.870 0.004 0.000 1.075 141 L CA 1.515 56.358 54.840 0.004 0.000 0.752 141 L CB -0.568 41.495 42.059 0.006 0.000 0.891 141 L HN 0.289 nan 8.230 nan 0.000 0.432 142 R N -0.058 120.445 120.500 0.004 0.000 2.097 142 R HA -0.287 4.053 4.340 -0.000 0.000 0.236 142 R C 2.356 178.658 176.300 0.003 0.000 1.135 142 R CA 2.242 58.345 56.100 0.004 0.000 0.934 142 R CB -0.278 30.025 30.300 0.005 0.000 0.846 142 R HN 0.211 nan 8.270 nan 0.000 0.431 143 Q N 0.875 120.677 119.800 0.003 0.000 2.096 143 Q HA -0.204 4.136 4.340 -0.000 0.000 0.204 143 Q C 1.865 177.865 176.000 0.001 0.000 0.982 143 Q CA 2.252 58.057 55.803 0.002 0.000 0.850 143 Q CB -0.130 28.610 28.738 0.002 0.000 0.901 143 Q HN 0.329 nan 8.270 nan 0.000 0.422 144 K N -1.220 119.180 120.400 0.000 0.000 2.217 144 K HA -0.009 4.311 4.320 -0.000 0.000 0.202 144 K C 1.710 178.308 176.600 -0.002 0.000 1.051 144 K CA 0.907 57.194 56.287 -0.001 0.000 0.952 144 K CB -0.147 32.353 32.500 -0.000 0.000 0.736 144 K HN 0.243 nan 8.250 nan 0.000 0.453 145 A N 1.023 123.843 122.820 -0.001 0.000 1.872 145 A HA 0.006 4.326 4.320 -0.000 0.000 0.214 145 A C 2.334 179.917 177.584 -0.002 0.000 1.187 145 A CA 1.449 53.486 52.037 -0.002 0.000 0.614 145 A CB -0.832 18.169 19.000 0.001 0.000 0.826 145 A HN 0.404 nan 8.150 nan 0.000 0.442 146 A N -0.236 122.585 122.820 0.000 0.000 2.024 146 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 146 A C 2.016 179.598 177.584 -0.003 0.000 1.164 146 A CA 1.802 53.840 52.037 0.001 0.000 0.643 146 A CB -0.479 18.523 19.000 0.004 0.000 0.806 146 A HN 0.699 nan 8.150 nan 0.000 0.451 147 E N 0.240 120.437 120.200 -0.005 0.000 2.001 147 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 147 E C 1.922 178.514 176.600 -0.013 0.000 1.002 147 E CA 1.489 57.884 56.400 -0.008 0.000 0.819 147 E CB -0.321 29.375 29.700 -0.007 0.000 0.769 147 E HN 0.603 nan 8.360 nan 0.000 0.454 148 I N 1.021 121.583 120.570 -0.015 0.000 2.236 148 I HA -0.302 3.868 4.170 -0.000 0.000 0.249 148 I C 2.594 178.694 176.117 -0.028 0.000 1.102 148 I CA 0.548 61.834 61.300 -0.023 0.000 1.365 148 I CB -0.305 37.682 38.000 -0.022 0.000 1.051 148 I HN 0.235 nan 8.210 nan 0.000 0.420 149 L N 1.247 122.457 121.223 -0.021 0.000 1.976 149 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 149 L C 2.682 179.536 176.870 -0.026 0.000 1.071 149 L CA 1.987 56.813 54.840 -0.023 0.000 0.746 149 L CB -0.785 41.267 42.059 -0.011 0.000 0.890 149 L HN 0.296 nan 8.230 nan 0.000 0.432 150 R N -0.836 119.654 120.500 -0.017 0.000 2.323 150 R HA -0.046 4.294 4.340 -0.000 0.000 0.198 150 R C 0.857 177.145 176.300 -0.020 0.000 0.988 150 R CA 0.601 56.692 56.100 -0.015 0.000 1.041 150 R CB -0.378 29.918 30.300 -0.007 0.000 0.926 150 R HN 0.385 nan 8.270 nan 0.000 0.476 151 Q N 1.443 121.228 119.800 -0.026 0.000 2.465 151 Q HA 0.193 4.533 4.340 -0.000 0.000 0.361 151 Q C -0.891 175.083 176.000 -0.042 0.000 0.957 151 Q CA -0.413 55.372 55.803 -0.029 0.000 1.065 151 Q CB 0.666 29.389 28.738 -0.024 0.000 1.274 151 Q HN 0.361 nan 8.270 nan 0.000 0.421 152 R N -1.748 118.721 120.500 -0.052 0.000 2.734 152 R HA 0.566 4.906 4.340 -0.000 0.000 0.271 152 R C -1.750 174.499 176.300 -0.085 0.000 1.021 152 R CA -0.969 55.085 56.100 -0.076 0.000 0.893 152 R CB 1.121 31.365 30.300 -0.093 0.000 1.244 152 R HN -0.099 nan 8.270 nan 0.000 0.464 153 D N 1.983 122.318 120.400 -0.109 0.000 2.346 153 D HA 0.220 4.860 4.640 -0.000 0.000 0.255 153 D C 0.913 177.092 176.300 -0.202 0.000 1.276 153 D CA -0.845 53.088 54.000 -0.111 0.000 0.941 153 D CB 1.078 41.849 40.800 -0.049 0.000 1.199 153 D HN 0.676 nan 8.370 nan 0.000 0.537 154 I N -0.904 119.437 120.570 -0.382 0.000 2.756 154 I HA 0.161 4.331 4.170 -0.000 0.000 0.262 154 I C -0.351 175.372 176.117 -0.657 0.000 1.225 154 I CA 0.505 61.450 61.300 -0.591 0.000 1.472 154 I CB -0.307 37.188 38.000 -0.842 0.000 1.094 154 I HN 0.024 nan 8.210 nan 0.000 0.454 155 F N 2.590 122.459 119.950 -0.136 0.000 2.427 155 F HA 0.378 4.905 4.527 -0.000 0.000 0.346 155 F C 1.062 176.805 175.800 -0.095 0.000 1.120 155 F CA -1.314 56.602 58.000 -0.139 0.000 1.033 155 F CB 1.124 40.047 39.000 -0.127 0.000 1.126 155 F HN -0.095 nan 8.300 nan 0.000 0.462 156 T N 0.729 115.334 114.554 0.084 0.000 2.932 156 T HA 0.123 4.473 4.350 -0.000 0.000 0.312 156 T C -1.968 172.766 174.700 0.058 0.000 1.071 156 T CA -1.249 60.875 62.100 0.041 0.000 1.128 156 T CB 1.104 69.984 68.868 0.022 0.000 0.984 156 T HN 0.320 nan 8.240 nan 0.000 0.549 157 P HA -0.117 nan 4.420 nan 0.000 0.215 157 P C 1.781 179.100 177.300 0.032 0.000 1.157 157 P CA 0.808 63.927 63.100 0.032 0.000 0.874 157 P CB 0.036 31.748 31.700 0.020 0.000 0.790 158 R N -0.260 120.258 120.500 0.029 0.000 2.097 158 R HA -0.195 4.145 4.340 -0.000 0.000 0.236 158 R C 2.339 178.669 176.300 0.051 0.000 1.135 158 R CA 2.138 58.257 56.100 0.031 0.000 0.934 158 R CB -1.667 28.647 30.300 0.023 0.000 0.846 158 R HN 0.191 nan 8.270 nan 0.000 0.431 159 C N 0.554 119.887 119.300 0.054 0.000 2.375 159 C HA -0.175 4.285 4.460 -0.000 0.000 0.274 159 C C 2.604 177.638 174.990 0.073 0.000 1.190 159 C CA 1.778 60.844 59.018 0.080 0.000 1.775 159 C CB -0.938 26.825 27.740 0.037 0.000 2.067 159 C HN 0.582 nan 8.230 nan 0.000 0.463 160 R N -0.170 120.345 120.500 0.026 0.000 2.081 160 R HA -0.151 4.189 4.340 -0.000 0.000 0.235 160 R C 2.502 178.810 176.300 0.014 0.000 1.131 160 R CA 2.021 58.113 56.100 -0.014 0.000 0.960 160 R CB -0.386 29.911 30.300 -0.006 0.000 0.856 160 R HN 0.716 nan 8.270 nan 0.000 0.436 161 Q N 0.497 120.318 119.800 0.035 0.000 1.993 161 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 161 Q C 2.261 178.306 176.000 0.075 0.000 0.984 161 Q CA 1.454 57.281 55.803 0.041 0.000 0.837 161 Q CB -0.243 28.517 28.738 0.035 0.000 0.902 161 Q HN 0.314 nan 8.270 nan 0.000 0.423 162 L N 0.657 121.944 121.223 0.106 0.000 2.129 162 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 162 L C 2.415 179.434 176.870 0.248 0.000 1.087 162 L CA 0.838 55.785 54.840 0.179 0.000 0.757 162 L CB -0.405 41.758 42.059 0.172 0.000 0.896 162 L HN 0.326 nan 8.230 nan 0.000 0.434 163 L N -0.679 120.615 121.223 0.119 0.000 2.056 163 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 163 L C 2.723 179.603 176.870 0.016 0.000 1.078 163 L CA 1.338 56.179 54.840 0.002 0.000 0.749 163 L CB -0.159 41.862 42.059 -0.063 0.000 0.901 163 L HN 0.292 nan 8.230 nan 0.000 0.433 164 E N -0.028 120.189 120.200 0.028 0.000 2.072 164 E HA -0.207 4.143 4.350 -0.000 0.000 0.190 164 E C 1.968 178.589 176.600 0.035 0.000 0.982 164 E CA 1.017 57.428 56.400 0.017 0.000 0.803 164 E CB -0.149 29.554 29.700 0.005 0.000 0.755 164 E HN 0.592 nan 8.360 nan 0.000 0.453 165 E N 0.268 120.517 120.200 0.082 0.000 2.097 165 E HA -0.236 4.114 4.350 -0.000 0.000 0.196 165 E C 1.986 178.619 176.600 0.054 0.000 1.000 165 E CA 1.246 57.702 56.400 0.094 0.000 0.804 165 E CB -0.346 29.455 29.700 0.168 0.000 0.740 165 E HN 0.266 nan 8.360 nan 0.000 0.454 166 Y N 1.938 122.196 120.300 -0.070 0.000 2.049 166 Y HA -0.270 4.280 4.550 -0.000 0.000 0.277 166 Y C 2.102 177.813 175.900 -0.315 0.000 1.143 166 Y CA 2.083 59.903 58.100 -0.467 0.000 1.115 166 Y CB -0.081 37.840 38.460 -0.898 0.000 0.975 166 Y HN -0.020 nan 8.280 nan 0.000 0.487 167 E N -0.264 119.913 120.200 -0.039 0.000 2.118 167 E HA -0.304 4.046 4.350 -0.000 0.000 0.195 167 E C 2.143 178.656 176.600 -0.146 0.000 0.992 167 E CA 1.517 57.874 56.400 -0.071 0.000 0.804 167 E CB -0.235 29.464 29.700 -0.001 0.000 0.741 167 E HN 0.681 nan 8.360 nan 0.000 0.458 168 Q N 0.038 119.769 119.800 -0.115 0.000 2.170 168 Q HA -0.181 4.159 4.340 -0.000 0.000 0.203 168 Q C 1.836 177.757 176.000 -0.131 0.000 0.976 168 Q CA 1.429 57.175 55.803 -0.095 0.000 0.858 168 Q CB 0.067 28.774 28.738 -0.052 0.000 0.907 168 Q HN 0.377 nan 8.270 nan 0.000 0.433 169 Q N -1.885 117.789 119.800 -0.209 0.000 2.139 169 Q HA 0.234 4.574 4.340 -0.000 0.000 0.219 169 Q C 0.727 176.533 176.000 -0.323 0.000 0.805 169 Q CA 0.404 56.080 55.803 -0.212 0.000 1.024 169 Q CB 0.910 29.559 28.738 -0.148 0.000 1.163 169 Q HN 0.235 nan 8.270 nan 0.000 0.485 170 G N -0.154 108.374 108.800 -0.454 0.000 2.186 170 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.266 170 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.266 170 G C 0.359 174.817 174.900 -0.737 0.000 0.982 170 G CA 0.461 45.255 45.100 -0.511 0.000 0.670 170 G HN 1.004 nan 8.290 nan 0.000 0.533 171 G N -2.061 106.166 108.800 -0.954 0.000 2.427 171 G HA2 0.628 4.588 3.960 -0.000 0.000 0.306 171 G HA3 0.628 4.588 3.960 -0.000 0.000 0.306 171 G C -1.123 173.496 174.900 -0.468 0.000 1.280 171 G CA -0.568 44.081 45.100 -0.751 0.000 0.837 171 G HN 0.548 nan 8.290 nan 0.000 0.482 172 F N -0.105 119.802 119.950 -0.071 0.000 2.675 172 F HA 0.530 5.057 4.527 -0.000 0.000 0.324 172 F C -0.607 175.190 175.800 -0.003 0.000 1.106 172 F CA -1.157 56.838 58.000 -0.009 0.000 0.970 172 F CB 2.995 42.030 39.000 0.058 0.000 1.385 172 F HN 0.652 nan 8.300 nan 0.000 0.489 173 N N -0.302 118.523 118.700 0.209 0.000 2.352 173 N HA 0.205 4.945 4.740 -0.000 0.000 0.291 173 N C -0.028 175.512 175.510 0.050 0.000 1.040 173 N CA -0.725 52.383 53.050 0.096 0.000 0.864 173 N CB 1.927 40.448 38.487 0.058 0.000 1.440 173 N HN 0.727 nan 8.380 nan 0.000 0.483 174 E N 0.878 121.110 120.200 0.054 0.000 2.571 174 E HA -0.474 3.876 4.350 -0.000 0.000 0.249 174 E C 1.199 177.798 176.600 -0.001 0.000 1.061 174 E CA 3.645 60.066 56.400 0.035 0.000 1.264 174 E CB -0.445 29.274 29.700 0.031 0.000 1.145 174 E HN 0.874 nan 8.360 nan 0.000 0.484 175 T N -1.534 113.012 114.554 -0.013 0.000 2.635 175 T HA -0.270 4.080 4.350 -0.000 0.000 0.267 175 T C 1.889 176.537 174.700 -0.087 0.000 1.040 175 T CA 1.979 64.059 62.100 -0.034 0.000 1.156 175 T CB -0.500 68.352 68.868 -0.026 0.000 0.863 175 T HN 0.350 nan 8.240 nan 0.000 0.430 176 Q N 1.296 121.009 119.800 -0.145 0.000 1.993 176 Q HA 0.012 4.352 4.340 -0.000 0.000 0.202 176 Q C 2.975 178.693 176.000 -0.469 0.000 0.984 176 Q CA 1.531 57.121 55.803 -0.354 0.000 0.837 176 Q CB -0.653 27.804 28.738 -0.468 0.000 0.902 176 Q HN 0.716 nan 8.270 nan 0.000 0.423 177 A N 1.172 123.784 122.820 -0.346 0.000 1.927 177 A HA -0.322 3.998 4.320 -0.000 0.000 0.220 177 A C 2.011 179.601 177.584 0.010 0.000 1.185 177 A CA 2.044 54.019 52.037 -0.103 0.000 0.639 177 A CB -0.735 18.334 19.000 0.115 0.000 0.820 177 A HN 0.416 nan 8.150 nan 0.000 0.451 178 Q N -0.990 118.804 119.800 -0.010 0.000 2.291 178 Q HA -0.169 4.171 4.340 -0.000 0.000 0.205 178 Q C 1.979 177.979 176.000 0.001 0.000 0.970 178 Q CA 1.575 57.386 55.803 0.015 0.000 0.876 178 Q CB -0.054 28.689 28.738 0.009 0.000 0.935 178 Q HN 0.854 nan 8.270 nan 0.000 0.455 179 E N -0.931 119.247 120.200 -0.036 0.000 2.170 179 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 179 E C 1.502 178.104 176.600 0.004 0.000 0.981 179 E CA 0.345 56.727 56.400 -0.029 0.000 0.830 179 E CB -0.102 29.563 29.700 -0.058 0.000 0.775 179 E HN 0.371 nan 8.360 nan 0.000 0.470 180 F N 1.347 121.179 119.950 -0.197 0.000 2.051 180 F HA -0.205 4.322 4.527 -0.000 0.000 0.296 180 F C 2.031 177.785 175.800 -0.077 0.000 1.122 180 F CA 1.405 59.308 58.000 -0.161 0.000 1.201 180 F CB -0.718 38.156 39.000 -0.210 0.000 0.978 180 F HN -0.128 nan 8.300 nan 0.000 0.472 181 V N 0.819 120.676 119.914 -0.096 0.000 2.370 181 V HA -0.357 3.763 4.120 -0.000 0.000 0.252 181 V C 2.452 178.523 176.094 -0.038 0.000 1.068 181 V CA 2.258 64.492 62.300 -0.109 0.000 1.061 181 V CB -0.751 31.121 31.823 0.081 0.000 0.656 181 V HN 0.446 nan 8.190 nan 0.000 0.455 182 Q N -1.090 118.697 119.800 -0.021 0.000 2.137 182 Q HA -0.090 4.250 4.340 -0.000 0.000 0.198 182 Q C 2.253 178.243 176.000 -0.017 0.000 0.960 182 Q CA 0.857 56.664 55.803 0.007 0.000 0.847 182 Q CB -0.286 28.458 28.738 0.010 0.000 0.915 182 Q HN 0.585 nan 8.270 nan 0.000 0.448 183 E N 0.896 121.058 120.200 -0.062 0.000 2.107 183 E HA -0.021 4.329 4.350 -0.000 0.000 0.191 183 E C 1.832 178.370 176.600 -0.104 0.000 0.982 183 E CA 1.001 57.366 56.400 -0.059 0.000 0.809 183 E CB -0.039 29.641 29.700 -0.034 0.000 0.756 183 E HN 0.291 nan 8.360 nan 0.000 0.459 184 A N 0.982 123.654 122.820 -0.247 0.000 1.929 184 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 184 A C 2.216 179.817 177.584 0.027 0.000 1.176 184 A CA 0.821 52.695 52.037 -0.270 0.000 0.628 184 A CB -0.553 18.021 19.000 -0.709 0.000 0.816 184 A HN 0.248 nan 8.150 nan 0.000 0.444 185 L N -0.246 121.076 121.223 0.165 0.000 2.263 185 L HA -0.171 4.169 4.340 -0.000 0.000 0.216 185 L C 2.000 178.986 176.870 0.194 0.000 1.111 185 L CA 1.851 56.894 54.840 0.338 0.000 0.773 185 L CB -0.281 41.907 42.059 0.215 0.000 0.906 185 L HN 0.325 nan 8.230 nan 0.000 0.439 186 E N -1.033 119.202 120.200 0.057 0.000 2.208 186 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 186 E C 2.022 178.590 176.600 -0.053 0.000 0.988 186 E CA 1.250 57.661 56.400 0.020 0.000 0.828 186 E CB -0.162 29.545 29.700 0.012 0.000 0.763 186 E HN 0.478 nan 8.360 nan 0.000 0.478 187 T N 0.045 114.454 114.554 -0.243 0.000 3.051 187 T HA -0.050 4.300 4.350 -0.000 0.000 0.269 187 T C 0.775 175.096 174.700 -0.631 0.000 1.127 187 T CA 0.659 62.430 62.100 -0.548 0.000 1.107 187 T CB -0.145 68.193 68.868 -0.883 0.000 0.898 187 T HN 0.119 nan 8.240 nan 0.000 0.517 188 F N 0.080 120.094 119.950 0.106 0.000 2.688 188 F HA 0.398 4.925 4.527 -0.000 0.000 0.310 188 F C 0.926 176.811 175.800 0.142 0.000 1.098 188 F CA -0.954 57.123 58.000 0.128 0.000 1.228 188 F CB 0.328 39.425 39.000 0.163 0.000 1.042 188 F HN -0.197 nan 8.300 nan 0.000 0.557 189 R N 0.965 121.585 120.500 0.199 0.000 2.641 189 R HA 0.028 4.367 4.340 -0.000 0.000 0.269 189 R C -0.499 175.865 176.300 0.108 0.000 1.074 189 R CA -0.434 55.734 56.100 0.113 0.000 1.133 189 R CB 0.570 30.845 30.300 -0.042 0.000 1.029 189 R HN 0.312 nan 8.270 nan 0.000 0.488 190 W N 4.419 125.667 121.300 -0.087 0.000 2.338 190 W HA 0.177 4.837 4.660 -0.000 0.000 0.307 190 W C -1.229 175.174 176.519 -0.193 0.000 1.167 190 W CA -0.356 56.930 57.345 -0.098 0.000 1.208 190 W CB 0.643 30.003 29.460 -0.167 0.000 1.228 190 W HN 0.685 nan 8.180 nan 0.000 0.499 191 H N 4.440 123.272 119.070 -0.397 0.000 2.587 191 H HA 0.128 4.684 4.556 -0.000 0.000 0.325 191 H C 1.160 176.344 175.328 -0.240 0.000 1.012 191 H CA -0.258 55.684 56.048 -0.176 0.000 1.213 191 H CB 2.205 31.919 29.762 -0.080 0.000 1.431 191 H HN 0.414 nan 8.280 nan 0.000 0.492 192 Q N 2.021 121.884 119.800 0.105 0.000 2.046 192 Q HA -0.056 4.284 4.340 -0.000 0.000 0.200 192 Q C 0.481 176.535 176.000 0.091 0.000 0.975 192 Q CA 0.672 56.567 55.803 0.153 0.000 0.836 192 Q CB 0.314 29.140 28.738 0.147 0.000 0.896 192 Q HN 0.440 nan 8.270 nan 0.000 0.428 193 L N 1.599 122.853 121.223 0.052 0.000 2.513 193 L HA 0.156 4.496 4.340 -0.000 0.000 0.272 193 L C -0.270 176.558 176.870 -0.069 0.000 1.187 193 L CA 0.182 54.999 54.840 -0.038 0.000 0.895 193 L CB 0.069 42.122 42.059 -0.009 0.000 1.147 193 L HN 0.049 nan 8.230 nan 0.000 0.483 194 A N 3.653 126.328 122.820 -0.242 0.000 2.287 194 A HA 0.447 4.767 4.320 -0.000 0.000 0.273 194 A C 1.063 178.530 177.584 -0.195 0.000 1.091 194 A CA 0.159 51.976 52.037 -0.367 0.000 0.817 194 A CB 0.370 19.056 19.000 -0.524 0.000 1.069 194 A HN 0.846 nan 8.150 nan 0.000 0.492 195 T N -2.039 112.388 114.554 -0.210 0.000 3.122 195 T HA 0.380 4.730 4.350 -0.000 0.000 0.250 195 T C 0.365 175.032 174.700 -0.056 0.000 1.067 195 T CA 0.545 62.576 62.100 -0.116 0.000 0.966 195 T CB -1.424 67.370 68.868 -0.123 0.000 1.002 195 T HN 1.515 nan 8.240 nan 0.000 0.542 196 V N -2.074 117.833 119.914 -0.011 0.000 3.165 196 V HA 0.674 4.794 4.120 -0.000 0.000 0.309 196 V C -1.525 174.647 176.094 0.129 0.000 1.267 196 V CA -1.491 60.837 62.300 0.047 0.000 1.067 196 V CB 1.796 33.648 31.823 0.050 0.000 1.082 196 V HN 0.311 nan 8.190 nan 0.000 0.451 197 D N -0.287 120.155 120.400 0.070 0.000 2.302 197 D HA 0.140 4.780 4.640 -0.000 0.000 0.248 197 D C 0.781 177.004 176.300 -0.129 0.000 1.094 197 D CA 0.001 54.005 54.000 0.007 0.000 0.897 197 D CB 1.970 42.751 40.800 -0.033 0.000 1.200 197 D HN 0.899 nan 8.370 nan 0.000 0.429 198 E N 1.090 120.940 120.200 -0.584 0.000 2.169 198 E HA -0.346 4.004 4.350 -0.000 0.000 0.202 198 E C 1.414 177.777 176.600 -0.396 0.000 1.016 198 E CA 1.489 57.194 56.400 -1.158 0.000 0.817 198 E CB 0.106 28.952 29.700 -1.424 0.000 0.736 198 E HN 0.683 nan 8.360 nan 0.000 0.462 199 E N -0.612 119.451 120.200 -0.229 0.000 2.110 199 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 199 E C 1.761 178.344 176.600 -0.028 0.000 0.988 199 E CA 1.698 58.038 56.400 -0.100 0.000 0.804 199 E CB 0.033 29.688 29.700 -0.075 0.000 0.745 199 E HN 0.275 nan 8.360 nan 0.000 0.458 200 T N -0.089 114.461 114.554 -0.007 0.000 2.896 200 T HA -0.138 4.212 4.350 -0.000 0.000 0.263 200 T C 1.453 176.203 174.700 0.083 0.000 1.050 200 T CA 1.043 63.163 62.100 0.032 0.000 1.140 200 T CB -0.489 68.397 68.868 0.030 0.000 0.877 200 T HN 0.325 nan 8.240 nan 0.000 0.457 201 Y N 1.993 122.296 120.300 0.006 0.000 2.333 201 Y HA -0.087 4.463 4.550 -0.000 0.000 0.290 201 Y C 2.466 178.424 175.900 0.096 0.000 1.144 201 Y CA 1.091 59.242 58.100 0.084 0.000 1.228 201 Y CB -0.093 38.505 38.460 0.231 0.000 0.985 201 Y HN -0.071 nan 8.280 nan 0.000 0.542 202 R N 0.273 120.885 120.500 0.187 0.000 2.075 202 R HA 0.053 4.393 4.340 -0.000 0.000 0.226 202 R C 2.434 178.785 176.300 0.085 0.000 1.114 202 R CA 1.325 57.506 56.100 0.135 0.000 0.972 202 R CB -0.835 29.512 30.300 0.079 0.000 0.869 202 R HN 0.352 nan 8.270 nan 0.000 0.437 203 A N 0.688 123.537 122.820 0.049 0.000 1.851 203 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 203 A C 2.155 179.753 177.584 0.024 0.000 1.195 203 A CA 1.677 53.733 52.037 0.033 0.000 0.622 203 A CB -0.894 18.117 19.000 0.019 0.000 0.831 203 A HN 0.321 nan 8.150 nan 0.000 0.444 204 L N -1.531 119.694 121.223 0.003 0.000 2.127 204 L HA -0.238 4.102 4.340 -0.000 0.000 0.211 204 L C 2.612 179.468 176.870 -0.024 0.000 1.089 204 L CA 1.846 56.675 54.840 -0.017 0.000 0.757 204 L CB -0.741 41.293 42.059 -0.042 0.000 0.899 204 L HN 0.651 nan 8.230 nan 0.000 0.434 205 H N 0.222 119.200 119.070 -0.153 0.000 2.326 205 H HA -0.184 4.372 4.556 -0.000 0.000 0.301 205 H C 2.104 177.403 175.328 -0.049 0.000 1.081 205 H CA 1.983 57.946 56.048 -0.142 0.000 1.334 205 H CB 0.047 29.697 29.762 -0.185 0.000 1.385 205 H HN 0.209 nan 8.280 nan 0.000 0.504 206 N N -0.188 118.546 118.700 0.056 0.000 2.519 206 N HA -0.130 4.610 4.740 -0.000 0.000 0.186 206 N C 1.616 177.108 175.510 -0.030 0.000 1.062 206 N CA 0.915 53.974 53.050 0.014 0.000 0.910 206 N CB 0.000 38.519 38.487 0.053 0.000 0.958 206 N HN 0.397 nan 8.380 nan 0.000 0.445 207 E N -0.597 119.591 120.200 -0.020 0.000 2.112 207 E HA -0.002 4.348 4.350 -0.000 0.000 0.190 207 E C -0.485 176.144 176.600 0.049 0.000 0.979 207 E CA 0.828 57.234 56.400 0.012 0.000 0.814 207 E CB 0.183 29.896 29.700 0.022 0.000 0.762 207 E HN 0.320 nan 8.360 nan 0.000 0.460 208 H N -1.700 117.297 119.070 -0.121 0.000 2.998 208 H HA 0.028 4.584 4.556 -0.000 0.000 0.293 208 H C -0.015 175.189 175.328 -0.206 0.000 1.248 208 H CA 0.306 56.271 56.048 -0.139 0.000 1.691 208 H CB 0.193 29.915 29.762 -0.067 0.000 2.267 208 H HN 0.122 nan 8.280 nan 0.000 0.448 209 R N 2.602 122.901 120.500 -0.334 0.000 2.261 209 R HA -0.135 4.204 4.340 -0.000 0.000 0.236 209 R C 1.248 177.637 176.300 0.148 0.000 1.141 209 R CA 1.854 57.805 56.100 -0.248 0.000 1.001 209 R CB -0.007 30.180 30.300 -0.189 0.000 0.866 209 R HN 0.230 nan 8.270 nan 0.000 0.468 210 L N 0.834 122.297 121.223 0.401 0.000 2.068 210 L HA 0.108 4.448 4.340 -0.000 0.000 0.204 210 L C 2.203 179.156 176.870 0.138 0.000 1.076 210 L CA 1.287 56.279 54.840 0.253 0.000 0.753 210 L CB -0.108 42.006 42.059 0.090 0.000 0.910 210 L HN 0.162 nan 8.230 nan 0.000 0.439 211 I N -0.251 120.375 120.570 0.095 0.000 2.264 211 I HA -0.318 3.852 4.170 -0.000 0.000 0.248 211 I C 2.465 178.607 176.117 0.041 0.000 1.111 211 I CA 1.248 62.575 61.300 0.045 0.000 1.382 211 I CB -0.523 37.494 38.000 0.028 0.000 1.060 211 I HN 0.355 nan 8.210 nan 0.000 0.418 212 A N -0.007 122.826 122.820 0.021 0.000 2.014 212 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 212 A C 1.956 179.612 177.584 0.120 0.000 1.163 212 A CA 1.903 53.899 52.037 -0.068 0.000 0.652 212 A CB -0.482 18.340 19.000 -0.296 0.000 0.808 212 A HN 0.435 nan 8.150 nan 0.000 0.449 213 D N -0.483 120.068 120.400 0.252 0.000 2.123 213 D HA -0.096 4.544 4.640 -0.000 0.000 0.200 213 D C 1.755 178.274 176.300 0.364 0.000 0.976 213 D CA 1.592 55.859 54.000 0.445 0.000 0.831 213 D CB 0.027 41.056 40.800 0.382 0.000 0.974 213 D HN 0.153 nan 8.370 nan 0.000 0.469 214 V N -0.179 119.846 119.914 0.184 0.000 2.407 214 V HA -0.093 4.027 4.120 -0.000 0.000 0.245 214 V C 2.398 178.531 176.094 0.066 0.000 1.041 214 V CA 1.067 63.422 62.300 0.091 0.000 1.040 214 V CB -0.039 31.817 31.823 0.056 0.000 0.671 214 V HN 0.121 nan 8.190 nan 0.000 0.455 215 V N -1.152 118.794 119.914 0.053 0.000 3.306 215 V HA -0.096 4.024 4.120 -0.000 0.000 0.264 215 V C 1.646 177.724 176.094 -0.027 0.000 1.149 215 V CA 1.199 63.504 62.300 0.008 0.000 1.143 215 V CB -0.482 31.342 31.823 0.000 0.000 0.767 215 V HN 0.662 nan 8.190 nan 0.000 0.476 216 C N -0.593 118.676 119.300 -0.050 0.000 2.884 216 C HA 0.487 4.947 4.460 -0.000 0.000 0.287 216 C C 0.362 174.984 174.990 -0.615 0.000 1.310 216 C CA -0.733 58.129 59.018 -0.260 0.000 1.725 216 C CB -1.495 26.127 27.740 -0.197 0.000 2.060 216 C HN 0.348 nan 8.230 nan 0.000 0.618 217 F N 0.494 120.421 119.950 -0.038 0.000 2.577 217 F HA 0.444 4.971 4.527 -0.000 0.000 0.318 217 F C -1.526 174.173 175.800 -0.169 0.000 1.065 217 F CA -2.060 55.873 58.000 -0.112 0.000 0.929 217 F CB 0.690 39.607 39.000 -0.138 0.000 1.237 217 F HN -0.218 nan 8.300 nan 0.000 0.468 218 P HA -0.101 nan 4.420 nan 0.000 0.213 218 P C 0.530 177.728 177.300 -0.170 0.000 1.176 218 P CA 1.706 64.695 63.100 -0.185 0.000 0.919 218 P CB 0.054 31.481 31.700 -0.456 0.000 0.791 219 G N -2.049 106.669 108.800 -0.137 0.000 3.122 219 G HA2 0.421 4.381 3.960 -0.000 0.000 0.180 219 G HA3 0.421 4.381 3.960 -0.000 0.000 0.180 219 G C -0.970 173.804 174.900 -0.210 0.000 1.279 219 G CA -0.020 44.960 45.100 -0.199 0.000 0.987 219 G HN 0.375 nan 8.290 nan 0.000 0.589 220 C N 0.621 119.794 119.300 -0.212 0.000 2.317 220 C HA 0.702 5.162 4.460 -0.000 0.000 0.306 220 C C 0.192 175.198 174.990 0.027 0.000 1.087 220 C CA -1.574 57.342 59.018 -0.170 0.000 1.529 220 C CB -1.659 26.056 27.740 -0.042 0.000 1.880 220 C HN 0.798 nan 8.230 nan 0.000 0.417 221 H N 0.910 120.041 119.070 0.102 0.000 2.745 221 H HA 0.535 5.091 4.556 -0.000 0.000 0.373 221 H C 0.028 175.516 175.328 0.267 0.000 1.226 221 H CA -1.230 54.943 56.048 0.209 0.000 1.435 221 H CB 0.210 30.051 29.762 0.132 0.000 1.461 221 H HN 0.639 nan 8.280 nan 0.000 0.616 222 I N 1.697 122.545 120.570 0.463 0.000 2.598 222 I HA -0.098 4.072 4.170 -0.000 0.000 0.284 222 I C 0.810 177.078 176.117 0.253 0.000 1.140 222 I CA 0.567 61.999 61.300 0.220 0.000 1.420 222 I CB 0.100 38.134 38.000 0.056 0.000 1.387 222 I HN 0.673 nan 8.210 nan 0.000 0.553 223 N N 4.447 123.216 118.700 0.115 0.000 2.207 223 N HA -0.020 4.720 4.740 -0.000 0.000 0.182 223 N C -0.098 175.491 175.510 0.133 0.000 1.020 223 N CA 0.671 53.822 53.050 0.168 0.000 0.858 223 N CB 0.164 38.723 38.487 0.120 0.000 0.991 223 N HN 0.671 nan 8.380 nan 0.000 0.427 224 H N -1.444 117.604 119.070 -0.037 0.000 3.068 224 H HA 0.263 4.819 4.556 -0.000 0.000 0.342 224 H C -1.706 173.386 175.328 -0.393 0.000 1.284 224 H CA -0.752 55.188 56.048 -0.180 0.000 1.181 224 H CB 0.978 30.707 29.762 -0.056 0.000 1.898 224 H HN -0.131 nan 8.280 nan 0.000 0.540 225 L N 2.739 123.648 121.223 -0.524 0.000 2.353 225 L HA 0.286 4.626 4.340 -0.000 0.000 0.270 225 L C -0.629 176.175 176.870 -0.110 0.000 1.003 225 L CA -0.353 54.172 54.840 -0.524 0.000 0.862 225 L CB 1.444 42.830 42.059 -1.123 0.000 1.221 225 L HN 0.712 nan 8.230 nan 0.000 0.430 226 T N 5.464 119.890 114.554 -0.214 0.000 2.744 226 T HA 0.390 4.740 4.350 -0.000 0.000 0.291 226 T C -2.346 172.288 174.700 -0.111 0.000 0.957 226 T CA -1.094 60.891 62.100 -0.192 0.000 1.002 226 T CB 1.342 69.913 68.868 -0.495 0.000 0.919 226 T HN 0.389 nan 8.240 nan 0.000 0.468 227 P HA 0.353 nan 4.420 nan 0.000 0.279 227 P C -0.642 176.662 177.300 0.007 0.000 1.276 227 P CA -0.881 62.228 63.100 0.015 0.000 0.801 227 P CB 1.234 32.923 31.700 -0.018 0.000 1.127 228 R N -0.273 120.232 120.500 0.008 0.000 2.437 228 R HA 0.518 4.858 4.340 -0.000 0.000 0.310 228 R C -0.700 175.596 176.300 -0.006 0.000 0.955 228 R CA -0.359 55.747 56.100 0.009 0.000 0.851 228 R CB 1.134 31.442 30.300 0.014 0.000 1.161 228 R HN 0.452 nan 8.270 nan 0.000 0.446 229 T N 2.943 117.492 114.554 -0.008 0.000 2.912 229 T HA 0.276 4.626 4.350 -0.000 0.000 0.288 229 T C 0.635 175.323 174.700 -0.020 0.000 1.030 229 T CA -0.696 61.393 62.100 -0.018 0.000 1.020 229 T CB 1.273 70.128 68.868 -0.022 0.000 1.056 229 T HN 0.466 nan 8.240 nan 0.000 0.480 230 L N 1.909 123.118 121.223 -0.024 0.000 2.270 230 L HA 0.401 4.741 4.340 -0.000 0.000 0.210 230 L C 0.681 177.536 176.870 -0.025 0.000 1.104 230 L CA 1.438 56.263 54.840 -0.025 0.000 0.804 230 L CB -0.020 42.023 42.059 -0.026 0.000 0.937 230 L HN 0.657 nan 8.230 nan 0.000 0.450 231 D N -1.259 119.126 120.400 -0.025 0.000 2.386 231 D HA 0.100 4.740 4.640 -0.000 0.000 0.247 231 D C 0.919 177.202 176.300 -0.028 0.000 1.336 231 D CA -0.076 53.908 54.000 -0.026 0.000 0.976 231 D CB 1.119 41.905 40.800 -0.023 0.000 1.257 231 D HN 0.043 nan 8.370 nan 0.000 0.570 232 I N 2.666 123.219 120.570 -0.029 0.000 2.394 232 I HA -0.187 3.982 4.170 -0.000 0.000 0.251 232 I C 1.298 177.397 176.117 -0.030 0.000 1.136 232 I CA 0.964 62.248 61.300 -0.027 0.000 1.425 232 I CB 0.431 38.416 38.000 -0.024 0.000 1.079 232 I HN 0.308 nan 8.210 nan 0.000 0.425 233 D N 0.600 120.982 120.400 -0.030 0.000 2.084 233 D HA -0.245 4.395 4.640 -0.000 0.000 0.194 233 D C 2.138 178.421 176.300 -0.030 0.000 0.990 233 D CA 1.116 55.099 54.000 -0.028 0.000 0.826 233 D CB -0.263 40.521 40.800 -0.027 0.000 0.971 233 D HN 0.187 nan 8.370 nan 0.000 0.453 234 R N 1.124 121.607 120.500 -0.029 0.000 2.127 234 R HA -0.101 4.239 4.340 -0.000 0.000 0.238 234 R C 2.048 178.325 176.300 -0.038 0.000 1.134 234 R CA 0.892 56.974 56.100 -0.030 0.000 0.975 234 R CB -0.671 29.613 30.300 -0.026 0.000 0.865 234 R HN 0.049 nan 8.270 nan 0.000 0.447 235 V N 0.311 120.199 119.914 -0.043 0.000 2.323 235 V HA -0.169 3.951 4.120 -0.000 0.000 0.244 235 V C 2.422 178.473 176.094 -0.071 0.000 1.041 235 V CA 1.997 64.262 62.300 -0.058 0.000 1.025 235 V CB -0.580 31.210 31.823 -0.056 0.000 0.656 235 V HN 0.463 nan 8.190 nan 0.000 0.451 236 Q N 0.878 120.643 119.800 -0.059 0.000 2.135 236 Q HA -0.136 4.204 4.340 -0.000 0.000 0.204 236 Q C 1.479 177.444 176.000 -0.059 0.000 0.981 236 Q CA 1.487 57.254 55.803 -0.061 0.000 0.856 236 Q CB 0.003 28.719 28.738 -0.037 0.000 0.902 236 Q HN 0.780 nan 8.270 nan 0.000 0.425 241 E N 0.285 120.457 120.200 -0.048 0.000 2.333 241 E HA -0.051 4.299 4.350 -0.000 0.000 0.198 241 E C 0.204 176.777 176.600 -0.045 0.000 1.007 241 E CA 1.230 57.606 56.400 -0.040 0.000 0.845 241 E CB -0.069 29.608 29.700 -0.038 0.000 0.766 241 E HN 0.329 nan 8.360 nan 0.000 0.507 242 C N 0.019 119.283 119.300 -0.060 0.000 2.760 242 C HA 0.460 4.920 4.460 -0.000 0.000 0.293 242 C C 1.323 176.277 174.990 -0.059 0.000 1.383 242 C CA 0.116 59.097 59.018 -0.061 0.000 1.771 242 C CB -0.382 27.311 27.740 -0.078 0.000 2.353 242 C HN 0.722 nan 8.230 nan 0.000 0.578 243 G N 1.540 110.310 108.800 -0.050 0.000 2.336 243 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.233 243 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.233 243 G C 0.138 175.013 174.900 -0.041 0.000 1.053 243 G CA -0.078 45.000 45.100 -0.036 0.000 0.625 243 G HN 0.512 nan 8.290 nan 0.000 0.511 244 I N 2.022 122.538 120.570 -0.091 0.000 2.471 244 I HA 0.247 4.417 4.170 -0.000 0.000 0.286 244 I C 0.670 176.718 176.117 -0.114 0.000 1.079 244 I CA 0.027 61.239 61.300 -0.147 0.000 1.398 244 I CB 1.263 39.029 38.000 -0.390 0.000 1.403 244 I HN 0.298 nan 8.210 nan 0.000 0.530 245 E N 9.647 129.831 120.200 -0.026 0.000 1.993 245 E HA 0.273 4.623 4.350 -0.000 0.000 0.271 245 E C -2.214 174.408 176.600 0.035 0.000 1.008 245 E CA -1.920 54.487 56.400 0.013 0.000 0.814 245 E CB 0.731 30.467 29.700 0.060 0.000 1.098 245 E HN 0.318 nan 8.360 nan 0.000 0.407 246 P HA 0.020 nan 4.420 nan 0.000 0.271 246 P C -0.969 176.366 177.300 0.059 0.000 1.216 246 P CA -0.134 62.969 63.100 0.004 0.000 0.776 246 P CB 0.896 32.566 31.700 -0.050 0.000 0.881 247 K N 3.593 124.051 120.400 0.096 0.000 2.248 247 K HA 0.145 4.465 4.320 -0.000 0.000 0.281 247 K C 1.334 177.958 176.600 0.041 0.000 1.054 247 K CA -0.725 55.606 56.287 0.074 0.000 0.903 247 K CB 0.331 32.881 32.500 0.083 0.000 1.077 247 K HN 0.142 nan 8.250 nan 0.000 0.474 248 I N 3.530 124.117 120.570 0.028 0.000 2.145 248 I HA -0.244 3.925 4.170 -0.000 0.000 0.244 248 I C 1.231 177.360 176.117 0.020 0.000 1.075 248 I CA 0.978 62.291 61.300 0.021 0.000 1.332 248 I CB -1.099 36.913 38.000 0.021 0.000 1.033 248 I HN 0.685 nan 8.210 nan 0.000 0.410 249 L N 1.844 123.077 121.223 0.017 0.000 2.540 249 L HA 0.035 4.375 4.340 -0.000 0.000 0.276 249 L C -0.069 176.810 176.870 0.015 0.000 1.212 249 L CA 0.926 55.777 54.840 0.019 0.000 0.893 249 L CB -0.097 41.962 42.059 0.000 0.000 1.138 249 L HN -0.003 nan 8.230 nan 0.000 0.491 250 I N 5.377 125.959 120.570 0.020 0.000 2.418 250 I HA 0.308 4.478 4.170 -0.000 0.000 0.287 250 I C -0.125 175.996 176.117 0.008 0.000 1.008 250 I CA -0.596 60.707 61.300 0.005 0.000 1.104 250 I CB 1.336 39.332 38.000 -0.008 0.000 1.264 250 I HN 0.647 nan 8.210 nan 0.000 0.438 251 E N 4.302 124.503 120.200 0.001 0.000 2.283 251 E HA 0.675 5.025 4.350 -0.000 0.000 0.267 251 E C 0.301 176.900 176.600 -0.002 0.000 1.045 251 E CA -0.358 56.048 56.400 0.011 0.000 0.884 251 E CB 1.724 31.427 29.700 0.006 0.000 1.106 251 E HN 0.827 nan 8.360 nan 0.000 0.408 252 G N 1.618 110.434 108.800 0.026 0.000 2.610 252 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.304 252 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.304 252 G C -2.708 172.159 174.900 -0.054 0.000 1.309 252 G CA -0.857 44.258 45.100 0.024 0.000 0.906 252 G HN 0.467 nan 8.290 nan 0.000 0.521 253 P HA 0.301 nan 4.420 nan 0.000 0.271 253 P C -2.380 174.675 177.300 -0.409 0.000 1.233 253 P CA -0.651 62.174 63.100 -0.459 0.000 0.789 253 P CB 0.383 31.795 31.700 -0.481 0.000 0.951 254 P HA 0.165 nan 4.420 nan 0.000 0.274 254 P C 0.035 177.208 177.300 -0.211 0.000 1.256 254 P CA -0.480 62.446 63.100 -0.290 0.000 0.795 254 P CB 0.611 32.154 31.700 -0.260 0.000 1.038 255 R N 1.235 121.658 120.500 -0.129 0.000 2.537 255 R HA 0.021 4.361 4.340 -0.000 0.000 0.281 255 R C 0.037 176.288 176.300 -0.082 0.000 0.988 255 R CA 0.723 56.768 56.100 -0.092 0.000 1.077 255 R CB 0.100 30.366 30.300 -0.057 0.000 0.932 255 R HN 0.481 nan 8.270 nan 0.000 0.409 256 R N 2.534 122.989 120.500 -0.074 0.000 2.774 256 R HA 0.077 4.417 4.340 -0.000 0.000 0.272 256 R C 0.102 176.389 176.300 -0.022 0.000 1.000 256 R CA -0.855 55.218 56.100 -0.046 0.000 0.906 256 R CB 1.421 31.676 30.300 -0.075 0.000 1.227 256 R HN 0.636 nan 8.270 nan 0.000 0.468 257 E N 0.111 120.315 120.200 0.007 0.000 2.106 257 E HA -0.040 4.310 4.350 -0.000 0.000 0.192 257 E C -0.093 176.516 176.600 0.015 0.000 0.984 257 E CA 0.987 57.396 56.400 0.016 0.000 0.806 257 E CB 0.411 30.132 29.700 0.035 0.000 0.750 257 E HN 0.173 nan 8.360 nan 0.000 0.458 258 V N 2.694 122.620 119.914 0.019 0.000 2.250 258 V HA 0.264 4.384 4.120 -0.000 0.000 0.268 258 V C -2.384 173.688 176.094 -0.038 0.000 1.043 258 V CA -1.806 60.503 62.300 0.016 0.000 0.814 258 V CB 0.793 32.656 31.823 0.067 0.000 1.072 258 V HN 0.061 nan 8.190 nan 0.000 0.451 259 P HA 0.134 nan 4.420 nan 0.000 0.266 259 P C -0.249 176.952 177.300 -0.166 0.000 1.186 259 P CA 0.545 63.572 63.100 -0.121 0.000 0.767 259 P CB 0.475 32.118 31.700 -0.095 0.000 0.820 260 I N -0.800 119.616 120.570 -0.256 0.000 3.002 260 I HA 0.431 4.601 4.170 -0.000 0.000 0.310 260 I C 0.839 176.706 176.117 -0.416 0.000 1.087 260 I CA -1.272 59.824 61.300 -0.339 0.000 1.017 260 I CB 1.232 38.953 38.000 -0.464 0.000 1.226 260 I HN 0.267 nan 8.210 nan 0.000 0.443 261 L N 0.846 121.718 121.223 -0.585 0.000 5.005 261 L HA -0.306 4.034 4.340 -0.000 0.000 0.053 261 L C 0.028 176.687 176.870 -0.352 0.000 2.947 261 L CA 2.232 56.550 54.840 -0.869 0.000 1.617 261 L CB -1.222 40.273 42.059 -0.941 0.000 2.837 261 L HN 0.824 nan 8.230 nan 0.000 0.872 262 L N -3.095 117.974 121.223 -0.256 0.000 2.720 262 L HA 0.725 5.065 4.340 -0.000 0.000 0.261 262 L C -1.204 175.605 176.870 -0.101 0.000 1.046 262 L CA -1.215 53.563 54.840 -0.103 0.000 0.886 262 L CB 2.321 44.384 42.059 0.007 0.000 1.493 262 L HN 0.377 nan 8.230 nan 0.000 0.407 263 R N 1.412 121.874 120.500 -0.063 0.000 2.621 263 R HA 0.555 4.895 4.340 -0.000 0.000 0.292 263 R C -1.505 174.785 176.300 -0.016 0.000 0.969 263 R CA -0.689 55.380 56.100 -0.052 0.000 0.887 263 R CB 2.394 32.654 30.300 -0.067 0.000 1.180 263 R HN 0.804 nan 8.270 nan 0.000 0.450 264 Q N 0.795 120.591 119.800 -0.007 0.000 2.379 264 Q HA 0.567 4.907 4.340 -0.000 0.000 0.278 264 Q C -1.355 174.647 176.000 0.004 0.000 1.068 264 Q CA -0.906 54.902 55.803 0.009 0.000 0.816 264 Q CB 2.616 31.367 28.738 0.023 0.000 1.387 264 Q HN 0.403 nan 8.270 nan 0.000 0.413 265 T N 1.358 115.925 114.554 0.022 0.000 2.907 265 T HA 0.657 5.007 4.350 -0.000 0.000 0.292 265 T C -0.606 174.141 174.700 0.079 0.000 1.043 265 T CA -0.536 61.586 62.100 0.038 0.000 1.003 265 T CB 1.706 70.601 68.868 0.046 0.000 1.084 265 T HN 0.770 nan 8.240 nan 0.000 0.483 266 S N 1.248 116.997 115.700 0.082 0.000 2.751 266 S HA 0.982 5.452 4.470 -0.000 0.000 0.310 266 S C -1.094 173.696 174.600 0.317 0.000 1.128 266 S CA -0.899 57.369 58.200 0.113 0.000 0.931 266 S CB 1.454 64.604 63.200 -0.082 0.000 1.177 266 S HN 0.908 nan 8.310 nan 0.000 0.530 267 F N -2.203 117.821 119.950 0.122 0.000 2.770 267 F HA 0.646 5.173 4.527 -0.000 0.000 0.313 267 F C -1.242 174.758 175.800 0.334 0.000 1.154 267 F CA -1.264 56.845 58.000 0.182 0.000 0.923 267 F CB 1.122 40.182 39.000 0.100 0.000 1.301 267 F HN 0.723 nan 8.300 nan 0.000 0.449 268 K N 1.615 122.240 120.400 0.374 0.000 2.316 268 K HA 0.700 5.020 4.320 -0.000 0.000 0.289 268 K C 0.306 176.932 176.600 0.043 0.000 1.070 268 K CA 0.366 56.697 56.287 0.073 0.000 0.928 268 K CB 1.321 33.870 32.500 0.081 0.000 1.039 268 K HN 0.850 nan 8.250 nan 0.000 0.480 269 A N 5.479 128.164 122.820 -0.226 0.000 1.956 269 A HA 0.189 4.509 4.320 -0.000 0.000 0.212 269 A C 0.095 177.622 177.584 -0.094 0.000 1.188 269 A CA 0.339 52.325 52.037 -0.085 0.000 0.675 269 A CB 0.125 18.989 19.000 -0.227 0.000 0.845 269 A HN 0.599 nan 8.150 nan 0.000 0.455 270 L N -0.690 120.405 121.223 -0.214 0.000 2.643 270 L HA 0.471 4.811 4.340 -0.000 0.000 0.256 270 L C -2.216 174.503 176.870 -0.253 0.000 0.931 270 L CA -0.401 54.314 54.840 -0.208 0.000 0.895 270 L CB 1.607 43.518 42.059 -0.247 0.000 1.430 270 L HN 0.183 nan 8.230 nan 0.000 0.419 271 E N 2.510 122.608 120.200 -0.171 0.000 2.200 271 E HA 0.432 4.782 4.350 -0.000 0.000 0.283 271 E C -0.974 175.541 176.600 -0.141 0.000 1.015 271 E CA -0.031 56.292 56.400 -0.128 0.000 0.819 271 E CB 1.130 30.820 29.700 -0.017 0.000 1.081 271 E HN 0.502 nan 8.360 nan 0.000 0.397 272 E N 2.282 122.388 120.200 -0.158 0.000 2.179 272 E HA 0.332 4.682 4.350 -0.000 0.000 0.275 272 E C -1.062 175.550 176.600 0.021 0.000 0.945 272 E CA -0.609 55.697 56.400 -0.158 0.000 0.792 272 E CB 1.154 30.623 29.700 -0.386 0.000 1.125 272 E HN 0.440 nan 8.360 nan 0.000 0.397 273 T N 2.632 117.204 114.554 0.031 0.000 2.907 273 T HA 0.372 4.722 4.350 -0.000 0.000 0.298 273 T C -0.450 174.306 174.700 0.093 0.000 1.017 273 T CA -0.503 61.635 62.100 0.063 0.000 1.118 273 T CB 0.634 69.517 68.868 0.024 0.000 0.948 273 T HN 0.242 nan 8.240 nan 0.000 0.531 274 V N 4.692 124.620 119.914 0.022 0.000 2.409 274 V HA 0.442 4.562 4.120 -0.000 0.000 0.291 274 V C -0.104 175.770 176.094 -0.366 0.000 1.020 274 V CA -0.850 61.377 62.300 -0.121 0.000 0.848 274 V CB 1.089 32.785 31.823 -0.213 0.000 0.990 274 V HN 0.712 nan 8.190 nan 0.000 0.430 275 L N 4.462 125.459 121.223 -0.377 0.000 2.344 275 L HA 0.686 5.026 4.340 -0.000 0.000 0.272 275 L C -0.953 175.539 176.870 -0.630 0.000 1.035 275 L CA -0.376 54.248 54.840 -0.361 0.000 0.807 275 L CB 1.715 43.700 42.059 -0.122 0.000 1.237 275 L HN 0.438 nan 8.230 nan 0.000 0.442 276 F N 0.474 120.390 119.950 -0.056 0.000 2.532 276 F HA 0.576 5.103 4.527 -0.000 0.000 0.321 276 F C 0.495 176.270 175.800 -0.041 0.000 1.089 276 F CA -0.836 57.123 58.000 -0.069 0.000 0.926 276 F CB 1.698 40.649 39.000 -0.081 0.000 1.168 276 F HN 0.410 nan 8.300 nan 0.000 0.459 277 A N 1.577 124.480 122.820 0.139 0.000 2.492 277 A HA 0.452 4.772 4.320 -0.000 0.000 0.254 277 A C 1.032 178.658 177.584 0.069 0.000 1.091 277 A CA 0.565 52.644 52.037 0.071 0.000 0.768 277 A CB -0.830 18.195 19.000 0.041 0.000 1.028 277 A HN 1.714 nan 8.150 nan 0.000 0.498 278 G N 1.429 110.257 108.800 0.048 0.000 2.149 278 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.235 278 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.235 278 G C -0.209 174.713 174.900 0.036 0.000 1.018 278 G CA 0.425 45.546 45.100 0.034 0.000 0.728 278 G HN 2.077 nan 8.290 nan 0.000 0.508 279 Q N -1.977 117.854 119.800 0.052 0.000 2.541 279 Q HA 0.471 4.811 4.340 -0.000 0.000 0.259 279 Q C 0.596 176.631 176.000 0.059 0.000 0.974 279 Q CA -0.618 55.214 55.803 0.048 0.000 0.955 279 Q CB 0.513 29.278 28.738 0.045 0.000 1.517 279 Q HN 0.123 nan 8.270 nan 0.000 0.412 280 K N 0.898 121.322 120.400 0.040 0.000 2.211 280 K HA -0.045 4.275 4.320 -0.000 0.000 0.203 280 K C 0.194 176.823 176.600 0.049 0.000 1.050 280 K CA 0.933 57.242 56.287 0.036 0.000 0.945 280 K CB 0.125 32.638 32.500 0.022 0.000 0.732 280 K HN 0.509 nan 8.250 nan 0.000 0.451 281 Q N 1.042 120.879 119.800 0.061 0.000 2.296 281 Q HA 0.227 4.567 4.340 -0.000 0.000 0.257 281 Q C 0.009 176.107 176.000 0.165 0.000 0.942 281 Q CA -0.456 55.393 55.803 0.077 0.000 0.939 281 Q CB 1.726 30.493 28.738 0.048 0.000 1.198 281 Q HN 0.291 nan 8.270 nan 0.000 0.429 282 G N 1.170 110.066 108.800 0.160 0.000 2.990 282 G HA2 0.527 4.486 3.960 -0.000 0.000 0.208 282 G HA3 0.527 4.486 3.960 -0.000 0.000 0.208 282 G C -0.537 174.498 174.900 0.224 0.000 1.334 282 G CA -0.078 45.173 45.100 0.253 0.000 1.024 282 G HN 0.503 nan 8.290 nan 0.000 0.574 283 T N -2.146 112.520 114.554 0.186 0.000 2.573 283 T HA 0.610 4.960 4.350 -0.000 0.000 0.259 283 T C -1.463 173.389 174.700 0.255 0.000 0.886 283 T CA -0.373 61.871 62.100 0.240 0.000 1.110 283 T CB 1.219 70.234 68.868 0.245 0.000 1.421 283 T HN 0.970 nan 8.240 nan 0.000 0.523 284 H N -0.606 118.487 119.070 0.039 0.000 3.016 284 H HA 0.748 5.304 4.556 -0.000 0.000 0.362 284 H C -1.264 174.119 175.328 0.091 0.000 1.233 284 H CA -0.670 55.402 56.048 0.040 0.000 1.124 284 H CB 1.314 31.084 29.762 0.014 0.000 1.850 284 H HN 0.676 nan 8.280 nan 0.000 0.549 285 T N -0.111 114.462 114.554 0.032 0.000 2.868 285 T HA 0.727 5.077 4.350 -0.000 0.000 0.306 285 T C -1.198 173.464 174.700 -0.064 0.000 1.224 285 T CA -0.026 62.092 62.100 0.029 0.000 1.012 285 T CB 1.446 70.473 68.868 0.264 0.000 1.221 285 T HN 1.052 nan 8.240 nan 0.000 0.499 286 A N 2.506 125.247 122.820 -0.132 0.000 2.311 286 A HA 0.878 5.198 4.320 -0.000 0.000 0.334 286 A C -0.521 176.788 177.584 -0.457 0.000 1.139 286 A CA -0.771 51.045 52.037 -0.369 0.000 0.830 286 A CB 0.944 19.591 19.000 -0.587 0.000 1.234 286 A HN 0.804 nan 8.150 nan 0.000 0.483 287 R N 0.883 121.042 120.500 -0.567 0.000 2.337 287 R HA 0.440 4.780 4.340 -0.000 0.000 0.319 287 R C -1.778 174.228 176.300 -0.490 0.000 0.954 287 R CA -0.147 55.691 56.100 -0.437 0.000 0.840 287 R CB 1.169 31.193 30.300 -0.461 0.000 1.164 287 R HN 0.580 nan 8.270 nan 0.000 0.472 288 F N 0.588 120.465 119.950 -0.121 0.000 2.385 288 F HA 0.436 4.963 4.527 -0.000 0.000 0.336 288 F C 1.373 176.972 175.800 -0.335 0.000 1.100 288 F CA -0.253 57.606 58.000 -0.235 0.000 1.116 288 F CB 1.425 40.340 39.000 -0.141 0.000 1.166 288 F HN 0.493 nan 8.300 nan 0.000 0.511 289 G N 1.245 109.662 108.800 -0.640 0.000 2.437 289 G HA2 0.539 4.499 3.960 -0.000 0.000 0.319 289 G HA3 0.539 4.499 3.960 -0.000 0.000 0.319 289 G C -1.562 173.139 174.900 -0.331 0.000 1.158 289 G CA -0.407 44.249 45.100 -0.740 0.000 0.899 289 G HN 0.619 nan 8.290 nan 0.000 0.502 290 E N -0.292 119.899 120.200 -0.015 0.000 2.393 290 E HA 0.674 5.024 4.350 -0.000 0.000 0.273 290 E C -1.632 175.053 176.600 0.141 0.000 0.918 290 E CA -0.831 55.575 56.400 0.010 0.000 0.773 290 E CB 2.690 32.235 29.700 -0.258 0.000 1.275 290 E HN 0.410 nan 8.360 nan 0.000 0.451 291 I N 1.789 122.428 120.570 0.115 0.000 2.827 291 I HA 0.381 4.551 4.170 -0.000 0.000 0.298 291 I C -1.780 174.375 176.117 0.063 0.000 1.235 291 I CA -0.295 61.061 61.300 0.093 0.000 1.021 291 I CB 1.738 39.797 38.000 0.098 0.000 1.259 291 I HN 0.758 nan 8.210 nan 0.000 0.427 292 E N 5.825 126.056 120.200 0.052 0.000 2.446 292 E HA 0.423 4.773 4.350 -0.000 0.000 0.276 292 E C -1.952 174.661 176.600 0.022 0.000 0.969 292 E CA -0.894 55.535 56.400 0.050 0.000 0.800 292 E CB 2.184 31.946 29.700 0.104 0.000 1.341 292 E HN 0.556 nan 8.360 nan 0.000 0.460 293 Q N 1.454 121.257 119.800 0.006 0.000 2.274 293 Q HA 0.356 4.696 4.340 -0.000 0.000 0.268 293 Q C -1.421 174.568 176.000 -0.019 0.000 1.015 293 Q CA -0.684 55.112 55.803 -0.012 0.000 0.775 293 Q CB 1.681 30.404 28.738 -0.026 0.000 1.256 293 Q HN 0.551 nan 8.270 nan 0.000 0.442 294 R N 1.998 122.488 120.500 -0.016 0.000 2.474 294 R HA 0.648 4.988 4.340 -0.000 0.000 0.295 294 R C 0.135 176.419 176.300 -0.027 0.000 0.980 294 R CA -0.385 55.708 56.100 -0.012 0.000 0.934 294 R CB 1.771 32.067 30.300 -0.007 0.000 1.101 294 R HN 0.715 nan 8.270 nan 0.000 0.469 295 G N 1.008 109.781 108.800 -0.045 0.000 3.099 295 G HA2 0.354 4.314 3.960 -0.000 0.000 0.151 295 G HA3 0.354 4.314 3.960 -0.000 0.000 0.151 295 G C -0.863 173.995 174.900 -0.070 0.000 1.265 295 G CA -0.410 44.644 45.100 -0.077 0.000 0.981 295 G HN 0.362 nan 8.290 nan 0.000 0.601 296 V N 0.236 120.073 119.914 -0.128 0.000 2.743 296 V HA 0.680 4.800 4.120 -0.000 0.000 0.301 296 V C 0.642 176.625 176.094 -0.186 0.000 1.057 296 V CA -0.232 61.977 62.300 -0.152 0.000 1.006 296 V CB 1.079 32.769 31.823 -0.220 0.000 1.024 296 V HN 1.048 nan 8.190 nan 0.000 0.473 297 A N 6.316 129.040 122.820 -0.160 0.000 2.351 297 A HA 0.681 5.001 4.320 -0.000 0.000 0.257 297 A C -0.398 177.097 177.584 -0.149 0.000 1.087 297 A CA -0.445 51.470 52.037 -0.203 0.000 0.798 297 A CB 0.222 18.820 19.000 -0.670 0.000 1.033 297 A HN 0.873 nan 8.150 nan 0.000 0.488 298 L N 0.500 121.664 121.223 -0.098 0.000 2.331 298 L HA 0.515 4.855 4.340 -0.000 0.000 0.268 298 L C 0.582 177.494 176.870 0.069 0.000 1.015 298 L CA -0.793 54.009 54.840 -0.062 0.000 0.807 298 L CB 1.755 43.806 42.059 -0.013 0.000 1.293 298 L HN 0.689 nan 8.230 nan 0.000 0.451 299 T N 0.122 114.513 114.554 -0.272 0.000 2.881 299 T HA 0.195 4.545 4.350 -0.000 0.000 0.278 299 T C -1.846 172.684 174.700 -0.283 0.000 0.982 299 T CA -1.098 60.756 62.100 -0.409 0.000 0.989 299 T CB 1.681 70.119 68.868 -0.716 0.000 1.058 299 T HN 0.366 nan 8.240 nan 0.000 0.529 300 P HA -0.117 nan 4.420 nan 0.000 0.216 300 P C 1.530 178.692 177.300 -0.229 0.000 1.153 300 P CA 1.114 63.848 63.100 -0.610 0.000 0.858 300 P CB 0.174 31.553 31.700 -0.535 0.000 0.789 301 K N -0.492 119.785 120.400 -0.206 0.000 2.057 301 K HA -0.099 4.221 4.320 -0.000 0.000 0.207 301 K C 2.115 178.664 176.600 -0.086 0.000 1.049 301 K CA 1.844 58.048 56.287 -0.140 0.000 0.931 301 K CB -0.959 31.440 32.500 -0.169 0.000 0.714 301 K HN 0.100 nan 8.250 nan 0.000 0.440 302 G N 0.566 109.323 108.800 -0.072 0.000 2.484 302 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.218 302 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.218 302 G C 1.571 176.612 174.900 0.235 0.000 1.130 302 G CA -0.056 45.085 45.100 0.069 0.000 0.784 302 G HN 0.126 nan 8.290 nan 0.000 0.543 303 R N -0.036 120.567 120.500 0.170 0.000 2.080 303 R HA 0.081 4.421 4.340 -0.000 0.000 0.222 303 R C 2.486 178.940 176.300 0.255 0.000 1.107 303 R CA 0.994 57.252 56.100 0.263 0.000 0.980 303 R CB -0.730 29.765 30.300 0.326 0.000 0.879 303 R HN 0.505 nan 8.270 nan 0.000 0.439 304 Q N 0.448 120.328 119.800 0.133 0.000 2.096 304 Q HA -0.185 4.155 4.340 -0.000 0.000 0.204 304 Q C 2.029 178.078 176.000 0.082 0.000 0.982 304 Q CA 1.528 57.382 55.803 0.085 0.000 0.850 304 Q CB -0.084 28.663 28.738 0.015 0.000 0.901 304 Q HN 0.103 nan 8.270 nan 0.000 0.422 305 L N -0.015 121.257 121.223 0.081 0.000 2.017 305 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 305 L C 2.202 179.168 176.870 0.160 0.000 1.073 305 L CA 1.992 56.862 54.840 0.050 0.000 0.745 305 L CB -1.004 41.023 42.059 -0.054 0.000 0.894 305 L HN 0.372 nan 8.230 nan 0.000 0.432 306 Y N 0.610 121.060 120.300 0.250 0.000 2.053 306 Y HA -0.329 4.221 4.550 -0.000 0.000 0.277 306 Y C 2.323 178.328 175.900 0.174 0.000 1.159 306 Y CA 2.250 60.520 58.100 0.283 0.000 1.125 306 Y CB -0.633 37.965 38.460 0.229 0.000 0.969 306 Y HN 0.330 nan 8.280 nan 0.000 0.492 307 D N 0.327 120.798 120.400 0.117 0.000 2.106 307 D HA -0.210 4.430 4.640 -0.000 0.000 0.191 307 D C 1.765 178.013 176.300 -0.086 0.000 0.997 307 D CA 1.889 55.885 54.000 -0.007 0.000 0.834 307 D CB -0.541 40.332 40.800 0.121 0.000 0.956 307 D HN 0.487 nan 8.370 nan 0.000 0.448 308 D N 0.157 120.523 120.400 -0.057 0.000 2.144 308 D HA -0.095 4.545 4.640 -0.000 0.000 0.199 308 D C 2.351 178.556 176.300 -0.159 0.000 0.984 308 D CA 0.366 54.315 54.000 -0.085 0.000 0.834 308 D CB -0.314 40.443 40.800 -0.071 0.000 0.955 308 D HN 0.269 nan 8.370 nan 0.000 0.465 309 L N 0.070 121.134 121.223 -0.265 0.000 2.109 309 L HA -0.041 4.299 4.340 -0.000 0.000 0.207 309 L C 2.532 179.233 176.870 -0.282 0.000 1.086 309 L CA 0.381 54.954 54.840 -0.445 0.000 0.760 309 L CB -0.168 41.275 42.059 -1.027 0.000 0.910 309 L HN 0.043 nan 8.230 nan 0.000 0.437 310 L N -0.281 120.824 121.223 -0.197 0.000 2.093 310 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 310 L C 2.881 179.722 176.870 -0.049 0.000 1.085 310 L CA 1.106 55.901 54.840 -0.074 0.000 0.755 310 L CB -0.302 41.627 42.059 -0.217 0.000 0.904 310 L HN 0.291 nan 8.230 nan 0.000 0.435 311 R N 0.247 120.704 120.500 -0.071 0.000 2.070 311 R HA -0.218 4.122 4.340 -0.000 0.000 0.233 311 R C 2.186 178.472 176.300 -0.022 0.000 1.137 311 R CA 1.864 57.947 56.100 -0.029 0.000 0.945 311 R CB -0.363 29.921 30.300 -0.027 0.000 0.845 311 R HN 0.358 nan 8.270 nan 0.000 0.430 312 N N 0.811 119.475 118.700 -0.059 0.000 2.104 312 N HA -0.121 4.619 4.740 -0.000 0.000 0.190 312 N C -0.081 175.408 175.510 -0.035 0.000 1.024 312 N CA 1.157 54.177 53.050 -0.051 0.000 0.853 312 N CB -0.177 38.253 38.487 -0.096 0.000 1.008 312 N HN 0.289 nan 8.380 nan 0.000 0.424 313 A N -0.052 122.710 122.820 -0.097 0.000 2.445 313 A HA 0.509 4.829 4.320 -0.000 0.000 0.242 313 A C 0.901 178.535 177.584 0.082 0.000 1.075 313 A CA 0.155 52.100 52.037 -0.153 0.000 0.777 313 A CB 0.312 19.200 19.000 -0.187 0.000 1.013 313 A HN 0.406 nan 8.150 nan 0.000 0.493 314 G N -0.282 108.673 108.800 0.259 0.000 2.829 314 G HA2 0.426 4.386 3.960 -0.000 0.000 0.173 314 G HA3 0.426 4.386 3.960 -0.000 0.000 0.173 314 G C 0.624 175.675 174.900 0.252 0.000 1.476 314 G CA 0.770 46.002 45.100 0.220 0.000 1.072 314 G HN 0.609 nan 8.290 nan 0.000 0.577 315 T N -0.784 113.857 114.554 0.145 0.000 3.026 315 T HA 0.341 4.691 4.350 -0.000 0.000 0.245 315 T C 1.458 176.110 174.700 -0.080 0.000 1.004 315 T CA 1.064 63.154 62.100 -0.017 0.000 1.069 315 T CB 0.248 69.088 68.868 -0.046 0.000 1.005 315 T HN 1.736 nan 8.240 nan 0.000 0.472 316 G N 2.072 110.896 108.800 0.039 0.000 2.314 316 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.292 316 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.292 316 G C 0.386 175.269 174.900 -0.028 0.000 1.059 316 G CA 0.535 45.655 45.100 0.034 0.000 0.982 316 G HN 0.907 nan 8.290 nan 0.000 0.505 317 Q N -0.486 119.293 119.800 -0.036 0.000 1.523 317 Q HA 0.300 4.640 4.340 -0.000 0.000 0.074 317 Q C 1.112 177.096 176.000 -0.027 0.000 0.662 317 Q CA 2.148 57.927 55.803 -0.041 0.000 1.079 317 Q CB -0.535 28.188 28.738 -0.025 0.000 1.412 317 Q HN 0.986 nan 8.270 nan 0.000 0.272 318 D N -1.848 118.535 120.400 -0.028 0.000 1.952 318 D HA -0.095 4.545 4.640 -0.000 0.000 0.047 318 D C -0.611 175.686 176.300 -0.004 0.000 1.444 318 D CA 0.402 54.394 54.000 -0.013 0.000 0.875 318 D CB -0.538 40.260 40.800 -0.004 0.000 3.060 318 D HN 0.724 nan 8.370 nan 0.000 0.193 319 N N 2.702 121.409 118.700 0.012 0.000 2.529 319 N HA 0.223 4.963 4.740 -0.000 0.000 0.278 319 N C 0.319 175.862 175.510 0.055 0.000 1.146 319 N CA -0.510 52.556 53.050 0.027 0.000 0.980 319 N CB 1.514 40.017 38.487 0.027 0.000 1.124 319 N HN 0.146 nan 8.380 nan 0.000 0.458 320 L N 2.839 124.096 121.223 0.057 0.000 2.533 320 L HA 0.047 4.387 4.340 -0.000 0.000 0.239 320 L C 1.093 178.017 176.870 0.090 0.000 1.376 320 L CA 0.543 55.438 54.840 0.093 0.000 1.240 320 L CB -1.138 40.961 42.059 0.065 0.000 1.487 320 L HN 0.931 nan 8.230 nan 0.000 0.419 321 T N -4.755 109.862 114.554 0.105 0.000 3.091 321 T HA -0.004 4.345 4.350 -0.000 0.000 0.277 321 T C 1.549 176.321 174.700 0.121 0.000 0.996 321 T CA -0.120 62.027 62.100 0.078 0.000 0.897 321 T CB -0.160 68.738 68.868 0.051 0.000 1.109 321 T HN 0.529 nan 8.240 nan 0.000 0.534 322 H N 0.423 119.524 119.070 0.053 0.000 2.482 322 H HA 0.167 4.723 4.556 -0.000 0.000 0.286 322 H C 0.969 176.351 175.328 0.089 0.000 1.017 322 H CA 0.564 56.665 56.048 0.088 0.000 1.322 322 H CB 0.116 29.916 29.762 0.063 0.000 1.426 322 H HN 0.426 nan 8.280 nan 0.000 0.546 326 L N 0.998 122.126 121.223 -0.159 0.000 1.994 326 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 326 L C 1.818 178.694 176.870 0.010 0.000 1.071 326 L CA 2.140 56.890 54.840 -0.149 0.000 0.745 326 L CB -0.266 41.629 42.059 -0.274 0.000 0.892 326 L HN 0.459 nan 8.230 nan 0.000 0.431 327 Q N -0.444 119.340 119.800 -0.027 0.000 2.135 327 Q HA -0.271 4.069 4.340 -0.000 0.000 0.204 327 Q C 1.945 177.982 176.000 0.062 0.000 0.981 327 Q CA 1.892 57.706 55.803 0.018 0.000 0.856 327 Q CB -0.066 28.670 28.738 -0.003 0.000 0.902 327 Q HN 0.588 nan 8.270 nan 0.000 0.425 328 E N -0.233 119.994 120.200 0.044 0.000 2.047 328 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 328 E C 2.088 178.701 176.600 0.023 0.000 0.987 328 E CA 1.511 57.940 56.400 0.049 0.000 0.799 328 E CB 0.022 29.775 29.700 0.088 0.000 0.752 328 E HN 0.265 nan 8.360 nan 0.000 0.449 329 T N 0.785 115.313 114.554 -0.043 0.000 2.684 329 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 329 T C 1.299 175.941 174.700 -0.096 0.000 1.036 329 T CA 1.040 63.068 62.100 -0.120 0.000 1.148 329 T CB -0.361 68.357 68.868 -0.251 0.000 0.863 329 T HN 0.077 nan 8.240 nan 0.000 0.436 330 F N 1.510 121.424 119.950 -0.060 0.000 2.722 330 F HA 0.131 4.658 4.527 -0.000 0.000 0.298 330 F C 2.198 178.031 175.800 0.056 0.000 1.175 330 F CA 0.105 58.112 58.000 0.011 0.000 1.462 330 F CB -0.395 38.597 39.000 -0.014 0.000 1.111 330 F HN 0.004 nan 8.300 nan 0.000 0.592 331 R N -0.775 119.798 120.500 0.121 0.000 2.152 331 R HA -0.117 4.223 4.340 -0.000 0.000 0.232 331 R C 1.869 178.209 176.300 0.067 0.000 1.117 331 R CA 1.615 57.770 56.100 0.093 0.000 0.981 331 R CB -0.688 29.642 30.300 0.051 0.000 0.870 331 R HN 0.164 nan 8.270 nan 0.000 0.451 332 T N 0.183 114.741 114.554 0.008 0.000 3.007 332 T HA -0.113 4.237 4.350 -0.000 0.000 0.270 332 T C 0.107 174.794 174.700 -0.022 0.000 1.107 332 T CA 0.696 62.769 62.100 -0.046 0.000 1.118 332 T CB -0.149 68.641 68.868 -0.130 0.000 0.889 332 T HN 0.006 nan 8.240 nan 0.000 0.506 333 F N 3.001 122.927 119.950 -0.041 0.000 2.371 333 F HA 0.393 4.920 4.527 -0.000 0.000 0.363 333 F C -2.468 173.362 175.800 0.051 0.000 1.122 333 F CA -3.675 54.336 58.000 0.019 0.000 1.129 333 F CB 0.814 39.901 39.000 0.145 0.000 1.173 333 F HN -0.153 nan 8.300 nan 0.000 0.489 334 P HA -0.090 nan 4.420 nan 0.000 0.259 334 P C -0.602 176.873 177.300 0.291 0.000 1.163 334 P CA 0.664 63.836 63.100 0.119 0.000 0.760 334 P CB 0.403 32.084 31.700 -0.030 0.000 0.762 335 D N 1.588 122.108 120.400 0.199 0.000 2.894 335 D HA 0.166 4.806 4.640 -0.000 0.000 0.273 335 D C -0.676 175.708 176.300 0.141 0.000 1.328 335 D CA -0.113 53.994 54.000 0.178 0.000 0.845 335 D CB -0.177 40.705 40.800 0.136 0.000 1.072 335 D HN 0.230 nan 8.370 nan 0.000 0.484 336 S N -1.661 114.133 115.700 0.158 0.000 2.540 336 S HA 0.340 4.810 4.470 -0.000 0.000 0.275 336 S C 0.876 175.586 174.600 0.182 0.000 1.123 336 S CA -0.769 57.527 58.200 0.160 0.000 0.907 336 S CB 1.875 65.183 63.200 0.180 0.000 1.081 336 S HN 0.024 nan 8.310 nan 0.000 0.476 337 E N 0.908 121.228 120.200 0.201 0.000 2.110 337 E HA -0.093 4.257 4.350 -0.000 0.000 0.193 337 E C 1.227 177.880 176.600 0.088 0.000 0.988 337 E CA 1.342 57.900 56.400 0.263 0.000 0.804 337 E CB -0.266 29.616 29.700 0.304 0.000 0.745 337 E HN 0.725 nan 8.360 nan 0.000 0.458 338 F N 1.862 121.798 119.950 -0.023 0.000 2.069 338 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 338 F C 1.039 176.796 175.800 -0.071 0.000 1.113 338 F CA 1.107 59.056 58.000 -0.084 0.000 1.214 338 F CB -0.286 38.686 39.000 -0.047 0.000 0.978 338 F HN -0.172 nan 8.300 nan 0.000 0.474 342 Q N 1.049 120.590 119.800 -0.432 0.000 2.197 342 Q HA -0.174 4.166 4.340 -0.000 0.000 0.207 342 Q C 0.943 176.800 176.000 -0.238 0.000 0.984 342 Q CA 1.976 57.552 55.803 -0.379 0.000 0.869 342 Q CB 0.093 28.468 28.738 -0.604 0.000 0.906 342 Q HN 0.481 nan 8.270 nan 0.000 0.426 343 Q N -1.193 118.477 119.800 -0.218 0.000 2.320 343 Q HA 0.141 4.481 4.340 -0.000 0.000 0.201 343 Q C 0.289 176.193 176.000 -0.159 0.000 0.910 343 Q CA 0.293 55.992 55.803 -0.174 0.000 0.946 343 Q CB 0.646 29.273 28.738 -0.184 0.000 1.062 343 Q HN 0.609 nan 8.270 nan 0.000 0.503 344 G N 0.995 109.709 108.800 -0.143 0.000 2.273 344 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.280 344 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.280 344 G C 0.399 175.163 174.900 -0.226 0.000 1.047 344 G CA 0.327 45.326 45.100 -0.168 0.000 0.869 344 G HN 0.397 nan 8.290 nan 0.000 0.502 345 L N -1.507 119.613 121.223 -0.171 0.000 2.316 345 L HA 0.508 4.848 4.340 -0.000 0.000 0.207 345 L C 1.770 178.537 176.870 -0.172 0.000 1.070 345 L CA 1.129 55.872 54.840 -0.162 0.000 0.820 345 L CB -0.225 41.755 42.059 -0.132 0.000 0.992 345 L HN 0.533 nan 8.230 nan 0.000 0.466 346 A N -1.323 121.417 122.820 -0.132 0.000 2.414 346 A HA 0.594 4.914 4.320 -0.000 0.000 0.278 346 A C -2.069 175.285 177.584 -0.385 0.000 1.228 346 A CA -0.424 51.455 52.037 -0.263 0.000 0.857 346 A CB 0.542 19.413 19.000 -0.216 0.000 1.389 346 A HN 0.135 nan 8.150 nan 0.000 0.452 347 W N -0.648 120.462 121.300 -0.317 0.000 2.573 347 W HA 0.664 5.324 4.660 -0.000 0.000 0.326 347 W C -1.312 174.912 176.519 -0.491 0.000 1.049 347 W CA -0.104 57.133 57.345 -0.180 0.000 1.220 347 W CB 1.538 30.951 29.460 -0.078 0.000 1.373 347 W HN 0.426 nan 8.180 nan 0.000 0.507 348 F N 1.564 121.625 119.950 0.185 0.000 2.563 348 F HA 0.489 5.016 4.527 -0.000 0.000 0.316 348 F C 0.178 175.914 175.800 -0.105 0.000 1.076 348 F CA -1.489 56.472 58.000 -0.065 0.000 0.921 348 F CB 1.832 40.636 39.000 -0.327 0.000 1.209 348 F HN 0.132 nan 8.300 nan 0.000 0.462 349 R N 2.463 122.998 120.500 0.059 0.000 2.198 349 R HA 0.377 4.716 4.340 -0.000 0.000 0.339 349 R C -1.669 174.650 176.300 0.032 0.000 1.020 349 R CA -0.429 55.720 56.100 0.081 0.000 0.864 349 R CB 0.302 30.652 30.300 0.085 0.000 1.105 349 R HN 0.631 nan 8.270 nan 0.000 0.463 350 Y N 4.158 124.560 120.300 0.170 0.000 2.316 350 Y HA 0.259 4.809 4.550 -0.000 0.000 0.331 350 Y C 0.487 176.453 175.900 0.109 0.000 1.083 350 Y CA -0.050 58.132 58.100 0.137 0.000 1.206 350 Y CB 1.022 39.554 38.460 0.121 0.000 1.195 350 Y HN 0.521 nan 8.280 nan 0.000 0.497 351 R N 2.370 123.017 120.500 0.244 0.000 2.698 351 R HA 0.672 5.011 4.340 -0.000 0.000 0.275 351 R C -2.113 174.282 176.300 0.157 0.000 1.001 351 R CA -0.927 55.275 56.100 0.170 0.000 0.896 351 R CB 1.093 31.468 30.300 0.124 0.000 1.218 351 R HN 0.614 nan 8.270 nan 0.000 0.462 352 L N 2.163 123.461 121.223 0.125 0.000 2.380 352 L HA 0.280 4.620 4.340 -0.000 0.000 0.273 352 L C 0.267 177.196 176.870 0.098 0.000 1.138 352 L CA -0.401 54.507 54.840 0.114 0.000 0.832 352 L CB 1.439 43.544 42.059 0.077 0.000 1.124 352 L HN 0.708 nan 8.230 nan 0.000 0.454 353 T N 4.274 118.899 114.554 0.117 0.000 2.913 353 T HA 0.120 4.470 4.350 -0.000 0.000 0.297 353 T C -1.189 173.546 174.700 0.059 0.000 1.029 353 T CA -1.062 61.099 62.100 0.100 0.000 1.104 353 T CB 1.347 70.298 68.868 0.139 0.000 0.964 353 T HN 0.513 nan 8.240 nan 0.000 0.532 354 P HA -0.203 nan 4.420 nan 0.000 0.218 354 P C 1.420 178.707 177.300 -0.022 0.000 1.154 354 P CA 1.466 64.573 63.100 0.012 0.000 0.872 354 P CB -0.129 31.582 31.700 0.018 0.000 0.790 355 S N -1.499 114.198 115.700 -0.004 0.000 2.603 355 S HA 0.185 4.655 4.470 -0.000 0.000 0.229 355 S C 1.073 175.526 174.600 -0.244 0.000 0.972 355 S CA 0.271 58.435 58.200 -0.060 0.000 0.935 355 S CB -0.851 62.377 63.200 0.047 0.000 0.769 355 S HN 0.313 nan 8.310 nan 0.000 0.536 363 I N 3.681 124.067 120.570 -0.307 0.000 2.337 363 I HA 0.377 4.547 4.170 -0.000 0.000 0.285 363 I C -0.697 175.306 176.117 -0.190 0.000 1.041 363 I CA -0.597 60.589 61.300 -0.191 0.000 1.199 363 I CB 0.771 38.761 38.000 -0.017 0.000 1.370 363 I HN 0.385 nan 8.210 nan 0.000 0.470 364 H N 5.879 124.979 119.070 0.051 0.000 2.505 364 H HA 0.351 4.907 4.556 -0.000 0.000 0.351 364 H C -2.286 173.054 175.328 0.021 0.000 1.151 364 H CA -2.569 53.497 56.048 0.031 0.000 1.339 364 H CB 0.522 30.301 29.762 0.028 0.000 1.483 364 H HN 0.230 nan 8.280 nan 0.000 0.558 365 P HA 0.021 nan 4.420 nan 0.000 0.268 365 P C 1.012 178.348 177.300 0.060 0.000 1.208 365 P CA 1.238 64.382 63.100 0.072 0.000 0.777 365 P CB 0.455 32.190 31.700 0.057 0.000 0.875 366 G N 0.789 109.606 108.800 0.029 0.000 2.234 366 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.260 366 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.260 366 G C -0.065 174.842 174.900 0.011 0.000 0.987 366 G CA -0.081 45.030 45.100 0.018 0.000 0.625 366 G HN 0.524 nan 8.290 nan 0.000 0.532 367 D N 1.534 121.947 120.400 0.020 0.000 2.455 367 D HA 0.397 5.037 4.640 -0.000 0.000 0.241 367 D C 0.408 176.690 176.300 -0.030 0.000 1.138 367 D CA -0.025 53.981 54.000 0.010 0.000 0.877 367 D CB 0.821 41.636 40.800 0.025 0.000 1.187 367 D HN 0.252 nan 8.370 nan 0.000 0.451 368 D N 2.548 122.931 120.400 -0.028 0.000 2.417 368 D HA 0.014 4.654 4.640 -0.000 0.000 0.250 368 D C -1.573 174.692 176.300 -0.059 0.000 1.166 368 D CA -1.560 52.412 54.000 -0.046 0.000 0.881 368 D CB 1.250 42.032 40.800 -0.029 0.000 1.164 368 D HN 0.122 nan 8.370 nan 0.000 0.467 369 P HA -0.107 nan 4.420 nan 0.000 0.230 369 P C 1.138 178.435 177.300 -0.005 0.000 1.168 369 P CA 0.423 63.474 63.100 -0.081 0.000 0.793 369 P CB 0.543 32.097 31.700 -0.244 0.000 0.851 370 Q N 1.597 121.400 119.800 0.004 0.000 2.077 370 Q HA -0.124 4.216 4.340 -0.000 0.000 0.206 370 Q C -0.738 175.261 176.000 -0.000 0.000 0.989 370 Q CA 2.612 58.437 55.803 0.035 0.000 0.853 370 Q CB -1.976 26.787 28.738 0.043 0.000 0.907 370 Q HN 0.193 nan 8.270 nan 0.000 0.418 371 P HA -0.144 nan 4.420 nan 0.000 0.214 371 P C 1.016 178.214 177.300 -0.170 0.000 1.163 371 P CA 1.422 64.464 63.100 -0.097 0.000 0.883 371 P CB -0.211 31.433 31.700 -0.093 0.000 0.788 372 L N -1.590 119.549 121.223 -0.140 0.000 2.265 372 L HA -0.141 4.199 4.340 -0.000 0.000 0.215 372 L C 2.265 179.072 176.870 -0.104 0.000 1.117 372 L CA 1.158 55.900 54.840 -0.163 0.000 0.782 372 L CB -0.829 41.242 42.059 0.020 0.000 0.914 372 L HN -0.018 nan 8.230 nan 0.000 0.441 373 I N -0.773 119.775 120.570 -0.037 0.000 2.716 373 I HA -0.125 4.044 4.170 -0.000 0.000 0.259 373 I C 2.372 178.464 176.117 -0.042 0.000 1.172 373 I CA 0.531 61.838 61.300 0.012 0.000 1.478 373 I CB -0.165 37.875 38.000 0.068 0.000 1.104 373 I HN 0.226 nan 8.210 nan 0.000 0.439 374 E N 1.330 121.473 120.200 -0.096 0.000 2.107 374 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 374 E C 2.201 178.699 176.600 -0.170 0.000 0.982 374 E CA 0.932 57.263 56.400 -0.116 0.000 0.809 374 E CB -0.217 29.410 29.700 -0.122 0.000 0.756 374 E HN 0.525 nan 8.360 nan 0.000 0.459 375 R N -0.222 120.087 120.500 -0.318 0.000 2.148 375 R HA 0.010 4.350 4.340 -0.000 0.000 0.223 375 R C 1.352 177.507 176.300 -0.241 0.000 1.088 375 R CA 0.835 56.648 56.100 -0.477 0.000 0.985 375 R CB -0.009 29.537 30.300 -1.258 0.000 0.880 375 R HN 0.270 nan 8.270 nan 0.000 0.451 376 G N -0.372 108.363 108.800 -0.110 0.000 2.130 376 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.216 376 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.216 376 G C 0.179 175.254 174.900 0.292 0.000 0.999 376 G CA -0.007 45.146 45.100 0.088 0.000 0.686 376 G HN 0.262 nan 8.290 nan 0.000 0.515 377 W N -0.536 120.779 121.300 0.026 0.000 2.525 377 W HA 0.509 5.168 4.660 -0.000 0.000 0.288 377 W C 1.294 177.837 176.519 0.041 0.000 1.200 377 W CA 0.252 57.611 57.345 0.024 0.000 1.349 377 W CB -0.523 28.942 29.460 0.009 0.000 1.102 377 W HN 0.195 nan 8.180 nan 0.000 0.558 378 V N 0.268 120.347 119.914 0.274 0.000 3.096 378 V HA 0.661 4.781 4.120 -0.000 0.000 0.319 378 V C -0.612 175.592 176.094 0.184 0.000 1.103 378 V CA -1.139 61.291 62.300 0.216 0.000 1.016 378 V CB 2.257 34.205 31.823 0.208 0.000 1.090 378 V HN -0.349 nan 8.190 nan 0.000 0.449 379 V N 1.730 121.759 119.914 0.192 0.000 2.737 379 V HA 0.785 4.905 4.120 -0.000 0.000 0.298 379 V C -0.428 175.740 176.094 0.124 0.000 1.163 379 V CA -0.168 62.218 62.300 0.143 0.000 0.925 379 V CB 1.694 33.586 31.823 0.115 0.000 1.037 379 V HN 1.188 nan 8.190 nan 0.000 0.433 380 A N 6.110 128.961 122.820 0.053 0.000 2.276 380 A HA 0.770 5.090 4.320 -0.000 0.000 0.300 380 A C -0.189 177.439 177.584 0.072 0.000 1.235 380 A CA -0.346 51.632 52.037 -0.098 0.000 0.867 380 A CB 0.467 19.255 19.000 -0.353 0.000 1.137 380 A HN 0.875 nan 8.150 nan 0.000 0.527 381 Q N 3.497 123.365 119.800 0.114 0.000 2.293 381 Q HA 0.389 4.729 4.340 -0.000 0.000 0.261 381 Q C -2.524 173.585 176.000 0.181 0.000 0.960 381 Q CA -2.171 53.726 55.803 0.158 0.000 0.882 381 Q CB 2.381 31.172 28.738 0.089 0.000 1.275 381 Q HN 0.554 nan 8.270 nan 0.000 0.445 382 P HA 0.065 nan 4.420 nan 0.000 0.276 382 P C -0.584 176.612 177.300 -0.173 0.000 1.243 382 P CA 0.163 63.092 63.100 -0.284 0.000 0.768 382 P CB 0.687 32.259 31.700 -0.214 0.000 0.856 383 I N 2.695 123.146 120.570 -0.198 0.000 2.471 383 I HA 0.058 4.228 4.170 -0.000 0.000 0.286 383 I C 1.194 177.285 176.117 -0.045 0.000 1.079 383 I CA 0.101 61.375 61.300 -0.045 0.000 1.398 383 I CB 0.143 38.174 38.000 0.052 0.000 1.403 383 I HN 0.227 nan 8.210 nan 0.000 0.530 384 T N 5.806 120.362 114.554 0.003 0.000 2.916 384 T HA -0.012 4.338 4.350 -0.000 0.000 0.303 384 T C -0.240 174.502 174.700 0.070 0.000 1.025 384 T CA 0.099 62.208 62.100 0.015 0.000 1.142 384 T CB -0.039 68.835 68.868 0.011 0.000 0.947 384 T HN 0.235 nan 8.240 nan 0.000 0.544 385 Y N 3.402 123.640 120.300 -0.103 0.000 2.569 385 Y HA 0.082 4.632 4.550 -0.000 0.000 0.332 385 Y C 1.248 177.111 175.900 -0.062 0.000 1.120 385 Y CA -0.557 57.478 58.100 -0.109 0.000 1.416 385 Y CB 0.405 38.759 38.460 -0.178 0.000 1.210 385 Y HN 0.625 nan 8.280 nan 0.000 0.528 386 E N 3.381 123.363 120.200 -0.364 0.000 2.481 386 E HA 0.042 4.392 4.350 -0.000 0.000 0.198 386 E C -0.165 176.005 176.600 -0.717 0.000 1.027 386 E CA 0.330 56.488 56.400 -0.403 0.000 0.900 386 E CB 0.439 30.015 29.700 -0.208 0.000 0.993 386 E HN 0.751 nan 8.360 nan 0.000 0.482 387 D N -0.392 119.271 120.400 -1.228 0.000 2.443 387 D HA 0.402 5.042 4.640 -0.000 0.000 0.249 387 D C -0.033 175.595 176.300 -1.120 0.000 1.218 387 D CA -0.310 53.084 54.000 -1.009 0.000 1.108 387 D CB 0.498 41.007 40.800 -0.485 0.000 1.197 387 D HN -0.168 nan 8.370 nan 0.000 0.600 388 F N -0.574 119.342 119.950 -0.057 0.000 2.620 388 F HA 0.380 4.907 4.527 -0.000 0.000 0.320 388 F C -0.057 175.881 175.800 0.230 0.000 1.069 388 F CA -1.023 56.972 58.000 -0.008 0.000 0.953 388 F CB 1.008 39.725 39.000 -0.473 0.000 1.322 388 F HN -0.074 nan 8.300 nan 0.000 0.479 389 L N 4.025 125.411 121.223 0.271 0.000 2.490 389 L HA 0.177 4.517 4.340 -0.000 0.000 0.274 389 L C -1.897 175.126 176.870 0.255 0.000 1.201 389 L CA -1.524 53.422 54.840 0.177 0.000 0.869 389 L CB -0.125 41.988 42.059 0.090 0.000 1.123 389 L HN 0.314 nan 8.230 nan 0.000 0.484 390 P HA 0.073 nan 4.420 nan 0.000 0.272 390 P C -0.719 176.713 177.300 0.220 0.000 1.230 390 P CA -0.384 62.886 63.100 0.283 0.000 0.788 390 P CB 1.038 32.887 31.700 0.248 0.000 0.949 391 V N -0.857 119.172 119.914 0.192 0.000 2.583 391 V HA 0.435 4.555 4.120 -0.000 0.000 0.287 391 V C 0.407 176.564 176.094 0.105 0.000 1.051 391 V CA -0.231 62.144 62.300 0.126 0.000 1.010 391 V CB 0.637 32.522 31.823 0.103 0.000 0.988 391 V HN 0.656 nan 8.190 nan 0.000 0.478 413 A N 0.595 123.431 122.820 0.028 0.000 2.456 413 A HA 0.403 4.723 4.320 -0.000 0.000 0.237 413 A C 1.563 179.174 177.584 0.045 0.000 1.217 413 A CA 0.925 52.977 52.037 0.024 0.000 0.962 413 A CB -0.024 18.994 19.000 0.030 0.000 1.079 413 A HN 0.516 nan 8.150 nan 0.000 0.536 414 S N -0.615 115.130 115.700 0.075 0.000 2.503 414 S HA 0.065 4.535 4.470 -0.000 0.000 0.217 414 S C 1.788 176.462 174.600 0.123 0.000 0.999 414 S CA 0.471 58.776 58.200 0.176 0.000 0.914 414 S CB -0.171 63.169 63.200 0.232 0.000 0.782 414 S HN 0.523 nan 8.310 nan 0.000 0.520 415 R N 1.586 121.971 120.500 -0.192 0.000 2.062 415 R HA -0.013 4.327 4.340 -0.000 0.000 0.229 415 R C 2.044 178.212 176.300 -0.221 0.000 1.128 415 R CA 1.519 57.216 56.100 -0.672 0.000 0.960 415 R CB -0.224 29.705 30.300 -0.620 0.000 0.855 415 R HN 0.541 nan 8.270 nan 0.000 0.432 416 E N 0.162 120.302 120.200 -0.099 0.000 2.023 416 E HA -0.216 4.134 4.350 -0.000 0.000 0.196 416 E C 1.976 178.585 176.600 0.016 0.000 1.003 416 E CA 1.399 57.780 56.400 -0.033 0.000 0.809 416 E CB -0.216 29.476 29.700 -0.013 0.000 0.755 416 E HN 0.437 nan 8.360 nan 0.000 0.449 417 A N 0.876 123.736 122.820 0.067 0.000 1.948 417 A HA -0.217 4.102 4.320 -0.000 0.000 0.220 417 A C 1.978 179.646 177.584 0.139 0.000 1.177 417 A CA 1.348 53.453 52.037 0.114 0.000 0.636 417 A CB -0.711 18.391 19.000 0.170 0.000 0.815 417 A HN 0.341 nan 8.150 nan 0.000 0.449 418 F N 0.688 120.626 119.950 -0.021 0.000 2.163 418 F HA -0.067 4.460 4.527 -0.000 0.000 0.297 418 F C 2.247 177.985 175.800 -0.104 0.000 1.094 418 F CA 1.914 59.831 58.000 -0.139 0.000 1.290 418 F CB -0.184 38.639 39.000 -0.294 0.000 1.017 418 F HN 0.333 nan 8.300 nan 0.000 0.483 419 E N -0.231 119.957 120.200 -0.019 0.000 2.072 419 E HA -0.295 4.055 4.350 -0.000 0.000 0.191 419 E C 2.133 178.660 176.600 -0.121 0.000 0.985 419 E CA 1.224 57.570 56.400 -0.090 0.000 0.801 419 E CB -0.462 29.225 29.700 -0.022 0.000 0.750 419 E HN 0.563 nan 8.360 nan 0.000 0.452 420 Q N 0.509 120.266 119.800 -0.071 0.000 2.234 420 Q HA -0.151 4.189 4.340 -0.000 0.000 0.206 420 Q C 1.874 177.827 176.000 -0.079 0.000 0.980 420 Q CA 1.295 57.066 55.803 -0.053 0.000 0.869 420 Q CB 0.003 28.729 28.738 -0.019 0.000 0.912 420 Q HN 0.214 nan 8.270 nan 0.000 0.436 421 A N 0.175 122.914 122.820 -0.135 0.000 2.081 421 A HA 0.033 4.352 4.320 -0.000 0.000 0.214 421 A C 1.868 179.328 177.584 -0.207 0.000 1.158 421 A CA 0.099 52.046 52.037 -0.150 0.000 0.724 421 A CB -0.202 18.705 19.000 -0.155 0.000 0.826 421 A HN 0.445 nan 8.150 nan 0.000 0.463 422 L N -1.645 119.396 121.223 -0.304 0.000 2.068 422 L HA 0.089 4.429 4.340 -0.000 0.000 0.204 422 L C 1.930 178.744 176.870 -0.094 0.000 1.076 422 L CA 1.619 56.310 54.840 -0.247 0.000 0.753 422 L CB -0.057 41.812 42.059 -0.316 0.000 0.910 422 L HN 0.563 nan 8.230 nan 0.000 0.439 423 G N -1.547 107.204 108.800 -0.081 0.000 2.316 423 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.203 423 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.203 423 G C 0.129 175.017 174.900 -0.020 0.000 0.999 423 G CA -0.047 45.031 45.100 -0.037 0.000 0.649 423 G HN 0.530 nan 8.290 nan 0.000 0.489 424 C N -1.060 118.228 119.300 -0.020 0.000 3.241 424 C HA 0.923 5.383 4.460 -0.000 0.000 0.312 424 C C -2.484 172.502 174.990 -0.007 0.000 1.350 424 C CA -1.579 57.438 59.018 -0.002 0.000 1.415 424 C CB 1.732 29.489 27.740 0.028 0.000 1.770 424 C HN 0.318 nan 8.230 nan 0.000 0.466 425 P HA 0.324 nan 4.420 nan 0.000 0.272 425 P C -0.021 177.286 177.300 0.012 0.000 1.230 425 P CA 0.315 63.415 63.100 0.000 0.000 0.788 425 P CB 0.794 32.491 31.700 -0.005 0.000 0.949 426 V N 0.047 119.975 119.914 0.024 0.000 2.863 426 V HA 0.365 4.485 4.120 -0.000 0.000 0.307 426 V C 0.494 176.584 176.094 -0.006 0.000 1.061 426 V CA -1.003 61.311 62.300 0.023 0.000 1.024 426 V CB 0.161 32.025 31.823 0.069 0.000 1.049 426 V HN 0.296 nan 8.190 nan 0.000 0.471 427 L N 1.970 123.176 121.223 -0.028 0.000 2.439 427 L HA 0.331 4.671 4.340 -0.000 0.000 0.269 427 L C 0.328 177.162 176.870 -0.061 0.000 1.179 427 L CA -0.026 54.781 54.840 -0.054 0.000 0.828 427 L CB 0.532 42.541 42.059 -0.084 0.000 1.106 427 L HN 0.806 nan 8.230 nan 0.000 0.467 428 D N 1.403 121.770 120.400 -0.056 0.000 2.380 428 D HA 0.076 4.716 4.640 -0.000 0.000 0.230 428 D C 0.802 177.045 176.300 -0.095 0.000 1.154 428 D CA -0.406 53.573 54.000 -0.035 0.000 0.859 428 D CB 1.230 42.052 40.800 0.036 0.000 1.045 428 D HN 0.485 nan 8.370 nan 0.000 0.495 429 E N 2.650 122.742 120.200 -0.179 0.000 2.171 429 E HA -0.201 4.149 4.350 -0.000 0.000 0.197 429 E C 1.397 177.863 176.600 -0.222 0.000 0.997 429 E CA 1.193 57.410 56.400 -0.305 0.000 0.810 429 E CB -0.488 29.053 29.700 -0.265 0.000 0.738 429 E HN 0.441 nan 8.360 nan 0.000 0.467 430 F N 1.223 121.249 119.950 0.128 0.000 2.075 430 F HA -0.130 4.397 4.527 -0.000 0.000 0.297 430 F C 2.680 178.467 175.800 -0.021 0.000 1.113 430 F CA 1.565 59.711 58.000 0.243 0.000 1.218 430 F CB -0.979 38.205 39.000 0.307 0.000 0.984 430 F HN 0.053 nan 8.300 nan 0.000 0.472 431 Q N 0.350 120.241 119.800 0.152 0.000 2.217 431 Q HA -0.221 4.119 4.340 -0.000 0.000 0.209 431 Q C 2.084 177.993 176.000 -0.151 0.000 0.988 431 Q CA 1.496 57.302 55.803 0.004 0.000 0.878 431 Q CB -0.284 28.459 28.738 0.009 0.000 0.909 431 Q HN 0.471 nan 8.270 nan 0.000 0.424 432 L N -0.936 120.134 121.223 -0.255 0.000 2.217 432 L HA -0.144 4.196 4.340 -0.000 0.000 0.211 432 L C 1.754 178.311 176.870 -0.522 0.000 1.107 432 L CA 0.679 55.282 54.840 -0.394 0.000 0.783 432 L CB -0.261 41.498 42.059 -0.501 0.000 0.919 432 L HN 0.280 nan 8.230 nan 0.000 0.442 433 Y N -0.408 119.618 120.300 -0.456 0.000 2.314 433 Y HA -0.153 4.397 4.550 -0.000 0.000 0.294 433 Y C 2.747 178.029 175.900 -1.030 0.000 1.119 433 Y CA 0.778 58.406 58.100 -0.788 0.000 1.179 433 Y CB -0.405 37.296 38.460 -1.264 0.000 1.025 433 Y HN 0.165 nan 8.280 nan 0.000 0.541 434 Q N 0.751 119.987 119.800 -0.939 0.000 2.020 434 Q HA -0.240 4.100 4.340 -0.000 0.000 0.202 434 Q C 1.826 177.682 176.000 -0.240 0.000 0.982 434 Q CA 2.081 57.481 55.803 -0.671 0.000 0.838 434 Q CB -0.078 28.499 28.738 -0.269 0.000 0.899 434 Q HN 0.540 nan 8.270 nan 0.000 0.423 435 E N 0.082 120.170 120.200 -0.186 0.000 2.070 435 E HA -0.238 4.112 4.350 -0.000 0.000 0.197 435 E C 1.901 178.457 176.600 -0.073 0.000 1.004 435 E CA 1.105 57.446 56.400 -0.098 0.000 0.805 435 E CB -0.218 29.419 29.700 -0.104 0.000 0.744 435 E HN 0.489 nan 8.360 nan 0.000 0.451 436 A N 1.088 123.839 122.820 -0.114 0.000 1.972 436 A HA -0.263 4.057 4.320 -0.000 0.000 0.219 436 A C 2.031 179.632 177.584 0.029 0.000 1.169 436 A CA 1.698 53.706 52.037 -0.048 0.000 0.635 436 A CB -0.375 18.587 19.000 -0.062 0.000 0.810 436 A HN 0.278 nan 8.150 nan 0.000 0.446 437 E N -0.176 120.047 120.200 0.039 0.000 2.033 437 E HA -0.160 4.190 4.350 -0.000 0.000 0.189 437 E C 1.908 178.630 176.600 0.203 0.000 0.979 437 E CA 0.969 57.484 56.400 0.192 0.000 0.802 437 E CB -0.140 29.756 29.700 0.327 0.000 0.763 437 E HN 0.709 nan 8.360 nan 0.000 0.449 438 E N 0.525 120.805 120.200 0.135 0.000 2.097 438 E HA -0.268 4.082 4.350 -0.000 0.000 0.196 438 E C 2.259 178.914 176.600 0.092 0.000 1.000 438 E CA 1.072 57.540 56.400 0.113 0.000 0.804 438 E CB -0.237 29.506 29.700 0.072 0.000 0.740 438 E HN 0.178 nan 8.360 nan 0.000 0.454 439 R N 1.222 121.763 120.500 0.068 0.000 2.091 439 R HA -0.173 4.167 4.340 -0.000 0.000 0.238 439 R C 2.523 178.873 176.300 0.084 0.000 1.136 439 R CA 2.008 58.142 56.100 0.057 0.000 0.959 439 R CB -0.233 30.086 30.300 0.032 0.000 0.856 439 R HN 0.203 nan 8.270 nan 0.000 0.437 440 S N 0.375 116.147 115.700 0.121 0.000 2.368 440 S HA -0.133 4.337 4.470 -0.000 0.000 0.225 440 S C 1.813 176.512 174.600 0.165 0.000 1.030 440 S CA 1.181 59.474 58.200 0.154 0.000 0.999 440 S CB -0.204 63.121 63.200 0.209 0.000 0.844 440 S HN 0.397 nan 8.310 nan 0.000 0.459 441 K N 1.001 121.504 120.400 0.173 0.000 2.057 441 K HA -0.052 4.268 4.320 -0.000 0.000 0.207 441 K C 2.562 179.201 176.600 0.066 0.000 1.049 441 K CA 1.262 57.609 56.287 0.100 0.000 0.931 441 K CB -0.248 32.283 32.500 0.051 0.000 0.714 441 K HN 0.380 nan 8.250 nan 0.000 0.440 442 R N 1.726 122.265 120.500 0.066 0.000 2.094 442 R HA -0.159 4.181 4.340 -0.000 0.000 0.239 442 R C 1.672 178.002 176.300 0.049 0.000 1.137 442 R CA 1.828 57.958 56.100 0.050 0.000 0.943 442 R CB -0.084 30.242 30.300 0.044 0.000 0.850 442 R HN 0.181 nan 8.270 nan 0.000 0.433 443 R N -0.895 119.640 120.500 0.058 0.000 2.386 443 R HA 0.050 4.390 4.340 -0.000 0.000 0.216 443 R C 0.799 177.134 176.300 0.058 0.000 1.119 443 R CA 0.210 56.342 56.100 0.053 0.000 1.158 443 R CB -0.210 30.123 30.300 0.055 0.000 1.057 443 R HN 0.187 nan 8.270 nan 0.000 0.489 444 C N -0.769 118.566 119.300 0.058 0.000 3.919 444 C HA 0.377 4.837 4.460 -0.000 0.000 0.422 444 C C 1.016 176.029 174.990 0.038 0.000 1.533 444 C CA 0.231 59.283 59.018 0.057 0.000 2.014 444 C CB 0.526 28.310 27.740 0.074 0.000 2.967 444 C HN 0.812 nan 8.230 nan 0.000 0.692 445 G N 1.868 110.689 108.800 0.036 0.000 2.756 445 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.272 445 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.272 445 G C -0.979 173.940 174.900 0.032 0.000 1.128 445 G CA 0.133 45.254 45.100 0.036 0.000 1.145 445 G HN 0.314 nan 8.290 nan 0.000 0.545 446 L N 0.000 121.237 121.223 0.024 0.000 2.949 446 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 446 L CA 0.000 54.847 54.840 0.011 0.000 0.813 446 L CB 0.000 42.041 42.059 -0.029 0.000 0.961 446 L HN 0.000 nan 8.230 nan 0.000 0.502