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 2e1z_1_A DATA FIRST_RESID 4 DATA SEQUENCE FPVVLVINCG SSSIKFSVLD VATCDVLMAG IADGMNTENA FLSINGDKPI DATA SEQUENCE NLAHSNYEDA LKAIAFELEK RDLTDSVALI GHRIAHGGEL FTQSVIITDE DATA SEQUENCE IIDNIRRVSP LAPLHNYANL SGIDAARHLF PAVRQVAVFD TSFHQTLAPE DATA SEQUENCE AYLYGLPWEY FSSLGVRRYG FHGTSHRYVS RRAYELLDLD EKDSGLIVAH DATA SEQUENCE LGNGASICAV RNGQSVDTSM GMTPLEGLMM GTRSGDVDFG AMAWIAKETG DATA SEQUENCE QTLSDLERVV NKESGLLGIS GLSSDLRVLE KAWHEGHERA RLAIKTFVHR DATA SEQUENCE IARHIAGHAA SLHRLDGIIF TGGIGENSVL IRQLVIEHLG VLGLTLDVEM DATA SEQUENCE NKQPNSHGER IISANPSQVI CAVIPTNEEK MIALDAIHLG NVKA 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 4 F HA 0.000 nan 4.527 nan 0.000 0.279 4 F C 0.000 175.804 175.800 0.006 0.000 0.967 4 F CA 0.000 58.004 58.000 0.007 0.000 1.383 4 F CB 0.000 39.004 39.000 0.007 0.000 1.145 5 P HA 0.531 nan 4.420 nan 0.000 0.269 5 P C -0.175 177.123 177.300 -0.004 0.000 1.209 5 P CA 0.376 63.477 63.100 0.002 0.000 0.776 5 P CB 2.323 34.023 31.700 0.001 0.000 0.876 6 V N -0.198 119.710 119.914 -0.011 0.000 3.046 6 V HA 0.640 4.762 4.120 0.002 0.000 0.316 6 V C -0.489 175.581 176.094 -0.041 0.000 1.104 6 V CA -1.000 61.288 62.300 -0.020 0.000 1.006 6 V CB 2.014 33.829 31.823 -0.014 0.000 1.058 6 V HN 0.254 nan 8.190 nan 0.000 0.440 7 V N 3.422 123.307 119.914 -0.048 0.000 2.398 7 V HA 0.477 4.598 4.120 0.002 0.000 0.286 7 V C -0.228 175.813 176.094 -0.089 0.000 1.026 7 V CA -0.434 61.821 62.300 -0.073 0.000 0.868 7 V CB 1.251 33.038 31.823 -0.060 0.000 0.982 7 V HN 0.887 nan 8.190 nan 0.000 0.443 8 L N 7.057 128.193 121.223 -0.146 0.000 2.265 8 L HA 0.613 4.955 4.340 0.002 0.000 0.288 8 L C -0.379 176.389 176.870 -0.170 0.000 1.058 8 L CA 0.355 55.103 54.840 -0.153 0.000 0.809 8 L CB 1.322 43.211 42.059 -0.283 0.000 1.179 8 L HN 0.446 nan 8.230 nan 0.000 0.429 9 V N 7.012 126.865 119.914 -0.100 0.000 2.417 9 V HA 0.514 4.635 4.120 0.002 0.000 0.291 9 V C 0.055 176.099 176.094 -0.085 0.000 1.024 9 V CA -0.409 61.817 62.300 -0.123 0.000 0.861 9 V CB 1.528 33.294 31.823 -0.095 0.000 0.985 9 V HN 0.644 nan 8.190 nan 0.000 0.436 10 I N 4.140 124.613 120.570 -0.162 0.000 2.498 10 I HA 0.476 4.648 4.170 0.002 0.000 0.290 10 I C -0.568 175.512 176.117 -0.061 0.000 1.032 10 I CA -0.481 60.760 61.300 -0.098 0.000 1.073 10 I CB 2.165 40.042 38.000 -0.204 0.000 1.251 10 I HN 0.526 nan 8.210 nan 0.000 0.426 11 N N 5.304 124.003 118.700 -0.002 0.000 2.573 11 N HA 0.276 5.017 4.740 0.002 0.000 0.262 11 N C -1.547 173.984 175.510 0.035 0.000 1.029 11 N CA -0.302 52.751 53.050 0.004 0.000 0.882 11 N CB 1.505 39.992 38.487 -0.000 0.000 1.204 11 N HN 0.602 nan 8.380 nan 0.000 0.519 12 C N 3.846 123.159 119.300 0.022 0.000 2.206 12 C HA 0.857 5.319 4.460 0.002 0.000 0.324 12 C C 0.987 175.977 174.990 -0.000 0.000 1.120 12 C CA -0.279 58.753 59.018 0.024 0.000 1.546 12 C CB -1.503 26.215 27.740 -0.037 0.000 2.023 12 C HN 0.740 nan 8.230 nan 0.000 0.448 13 G N 3.136 111.984 108.800 0.080 0.000 2.568 13 G HA2 0.406 4.368 3.960 0.002 0.000 0.293 13 G HA3 0.406 4.368 3.960 0.002 0.000 0.293 13 G C 0.986 175.952 174.900 0.111 0.000 1.347 13 G CA 0.342 45.491 45.100 0.082 0.000 1.039 13 G HN 0.833 nan 8.290 nan 0.000 0.523 14 S N -0.630 115.080 115.700 0.017 0.000 2.383 14 S HA -0.179 4.292 4.470 0.002 0.000 0.229 14 S C 1.894 176.552 174.600 0.097 0.000 1.030 14 S CA 1.914 60.118 58.200 0.006 0.000 1.002 14 S CB -0.299 62.798 63.200 -0.171 0.000 0.829 14 S HN 1.078 nan 8.310 nan 0.000 0.467 15 S N -0.256 115.481 115.700 0.063 0.000 2.733 15 S HA 0.460 4.931 4.470 0.002 0.000 0.247 15 S C 0.249 174.844 174.600 -0.008 0.000 1.043 15 S CA -0.011 58.197 58.200 0.014 0.000 1.066 15 S CB 0.260 63.458 63.200 -0.002 0.000 1.045 15 S HN 0.703 nan 8.310 nan 0.000 0.586 16 S N 0.671 116.403 115.700 0.053 0.000 2.625 16 S HA 0.763 5.235 4.470 0.002 0.000 0.271 16 S C -1.380 173.285 174.600 0.107 0.000 1.161 16 S CA -1.011 57.204 58.200 0.026 0.000 0.820 16 S CB 0.901 64.098 63.200 -0.005 0.000 1.137 16 S HN 0.286 nan 8.310 nan 0.000 0.470 17 I N 1.244 121.865 120.570 0.085 0.000 2.476 17 I HA 0.360 4.532 4.170 0.002 0.000 0.281 17 I C -0.538 175.660 176.117 0.135 0.000 1.040 17 I CA -0.571 60.804 61.300 0.124 0.000 1.094 17 I CB 1.753 39.839 38.000 0.143 0.000 1.219 17 I HN 0.519 nan 8.210 nan 0.000 0.450 18 K N 6.733 127.195 120.400 0.103 0.000 2.205 18 K HA 0.596 4.918 4.320 0.002 0.000 0.279 18 K C -0.828 175.859 176.600 0.145 0.000 1.027 18 K CA -0.354 55.982 56.287 0.081 0.000 0.932 18 K CB 1.384 33.889 32.500 0.009 0.000 1.032 18 K HN 0.475 nan 8.250 nan 0.000 0.466 19 F N -1.694 118.232 119.950 -0.040 0.000 2.599 19 F HA 0.656 5.184 4.527 0.002 0.000 0.311 19 F C -0.911 174.855 175.800 -0.057 0.000 1.076 19 F CA -0.787 57.178 58.000 -0.059 0.000 0.937 19 F CB 1.896 40.863 39.000 -0.055 0.000 1.282 19 F HN 0.239 nan 8.300 nan 0.000 0.460 20 S N 1.285 116.936 115.700 -0.083 0.000 2.546 20 S HA 0.711 5.182 4.470 0.002 0.000 0.274 20 S C -1.463 173.145 174.600 0.013 0.000 1.121 20 S CA -0.779 57.325 58.200 -0.160 0.000 0.887 20 S CB 2.109 65.221 63.200 -0.147 0.000 1.094 20 S HN 0.626 nan 8.310 nan 0.000 0.474 21 V N 3.333 123.254 119.914 0.011 0.000 2.384 21 V HA 0.522 4.643 4.120 0.002 0.000 0.287 21 V C -1.065 175.019 176.094 -0.017 0.000 1.020 21 V CA -0.582 61.733 62.300 0.026 0.000 0.850 21 V CB 0.993 32.859 31.823 0.072 0.000 0.987 21 V HN 0.629 nan 8.190 nan 0.000 0.436 22 L N 3.706 124.912 121.223 -0.029 0.000 2.329 22 L HA 0.501 4.842 4.340 0.002 0.000 0.279 22 L C -0.045 176.811 176.870 -0.023 0.000 1.014 22 L CA -0.215 54.606 54.840 -0.032 0.000 0.814 22 L CB 1.612 43.645 42.059 -0.043 0.000 1.257 22 L HN 0.666 nan 8.230 nan 0.000 0.424 23 D N 1.287 121.677 120.400 -0.016 0.000 2.425 23 D HA 0.074 4.715 4.640 0.002 0.000 0.247 23 D C 0.950 177.245 176.300 -0.009 0.000 1.147 23 D CA 0.072 54.066 54.000 -0.010 0.000 0.879 23 D CB 1.281 42.077 40.800 -0.006 0.000 1.179 23 D HN 0.295 nan 8.370 nan 0.000 0.456 24 V N 4.013 123.923 119.914 -0.006 0.000 2.515 24 V HA -0.183 3.939 4.120 0.002 0.000 0.250 24 V C 2.131 178.227 176.094 0.004 0.000 1.058 24 V CA 2.094 64.393 62.300 -0.002 0.000 1.064 24 V CB -0.693 31.129 31.823 -0.002 0.000 0.675 24 V HN 0.761 nan 8.190 nan 0.000 0.461 25 A N 0.271 123.093 122.820 0.004 0.000 1.930 25 A HA -0.125 4.196 4.320 0.002 0.000 0.215 25 A C 2.313 179.902 177.584 0.008 0.000 1.176 25 A CA 2.112 54.153 52.037 0.007 0.000 0.632 25 A CB -0.423 18.581 19.000 0.006 0.000 0.819 25 A HN 0.611 nan 8.150 nan 0.000 0.445 26 T N -7.351 107.206 114.554 0.005 0.000 3.003 26 T HA 0.152 4.504 4.350 0.002 0.000 0.261 26 T C 0.682 175.384 174.700 0.004 0.000 1.003 26 T CA 0.680 62.783 62.100 0.005 0.000 0.917 26 T CB -0.735 68.134 68.868 0.002 0.000 1.084 26 T HN 0.737 nan 8.240 nan 0.000 0.522 27 C N 2.347 121.647 119.300 -0.001 0.000 4.297 27 C HA -0.127 4.334 4.460 0.002 0.000 0.290 27 C C 0.176 175.154 174.990 -0.020 0.000 1.444 27 C CA 0.281 59.294 59.018 -0.009 0.000 1.982 27 C CB -2.663 25.078 27.740 0.002 0.000 1.276 27 C HN 0.641 nan 8.230 nan 0.000 0.797 28 D N 0.074 120.463 120.400 -0.017 0.000 2.304 28 D HA 0.390 5.031 4.640 0.002 0.000 0.247 28 D C 0.282 176.563 176.300 -0.032 0.000 1.089 28 D CA 0.048 54.034 54.000 -0.024 0.000 0.910 28 D CB 1.212 42.002 40.800 -0.017 0.000 1.199 28 D HN 0.185 nan 8.370 nan 0.000 0.426 29 V N 3.240 123.128 119.914 -0.043 0.000 2.508 29 V HA 0.022 4.143 4.120 0.002 0.000 0.281 29 V C 1.489 177.560 176.094 -0.038 0.000 1.041 29 V CA 0.051 62.319 62.300 -0.052 0.000 1.016 29 V CB 0.871 32.650 31.823 -0.075 0.000 0.984 29 V HN 0.427 nan 8.190 nan 0.000 0.478 30 L N 4.047 125.254 121.223 -0.028 0.000 2.408 30 L HA 0.393 4.735 4.340 0.002 0.000 0.215 30 L C 0.571 177.436 176.870 -0.009 0.000 1.081 30 L CA 0.702 55.535 54.840 -0.012 0.000 0.840 30 L CB 0.174 42.234 42.059 0.003 0.000 1.002 30 L HN 0.602 nan 8.230 nan 0.000 0.468 31 M N -0.420 119.167 119.600 -0.022 0.000 2.414 31 M HA 0.635 5.116 4.480 0.002 0.000 0.287 31 M C -2.195 174.005 176.300 -0.167 0.000 1.181 31 M CA -0.409 54.873 55.300 -0.030 0.000 0.933 31 M CB 2.605 35.255 32.600 0.084 0.000 1.732 31 M HN -0.107 nan 8.290 nan 0.000 0.486 32 A N 2.083 124.722 122.820 -0.302 0.000 2.594 32 A HA 1.057 5.378 4.320 0.002 0.000 0.291 32 A C -0.766 176.375 177.584 -0.738 0.000 1.105 32 A CA 0.007 51.670 52.037 -0.623 0.000 0.694 32 A CB 1.917 20.700 19.000 -0.361 0.000 1.291 32 A HN 1.277 nan 8.150 nan 0.000 0.410 33 G N -1.047 107.138 108.800 -1.025 0.000 2.428 33 G HA2 0.597 4.559 3.960 0.002 0.000 0.304 33 G HA3 0.597 4.559 3.960 0.002 0.000 0.304 33 G C -1.871 172.915 174.900 -0.189 0.000 1.303 33 G CA 0.209 45.037 45.100 -0.454 0.000 0.825 33 G HN 1.751 nan 8.290 nan 0.000 0.484 34 I N -0.165 120.463 120.570 0.096 0.000 2.690 34 I HA 0.602 4.773 4.170 0.002 0.000 0.286 34 I C -0.296 175.848 176.117 0.045 0.000 1.313 34 I CA -0.816 60.538 61.300 0.090 0.000 1.070 34 I CB 1.376 39.377 38.000 0.002 0.000 1.323 34 I HN 1.062 nan 8.210 nan 0.000 0.432 35 A N 5.435 128.279 122.820 0.040 0.000 2.362 35 A HA 0.575 4.896 4.320 0.002 0.000 0.276 35 A C -0.748 176.702 177.584 -0.223 0.000 1.153 35 A CA 0.026 52.005 52.037 -0.097 0.000 0.813 35 A CB 0.483 19.457 19.000 -0.043 0.000 1.081 35 A HN 0.722 nan 8.150 nan 0.000 0.507 36 D N 0.873 120.965 120.400 -0.513 0.000 2.523 36 D HA 0.552 5.194 4.640 0.002 0.000 0.236 36 D C 0.648 176.623 176.300 -0.542 0.000 1.094 36 D CA 0.715 54.372 54.000 -0.572 0.000 0.942 36 D CB 1.652 41.966 40.800 -0.809 0.000 1.447 36 D HN 1.230 nan 8.370 nan 0.000 0.479 37 G N 1.779 110.417 108.800 -0.270 0.000 2.295 37 G HA2 -0.212 3.749 3.960 0.002 0.000 0.287 37 G HA3 -0.212 3.749 3.960 0.002 0.000 0.287 37 G C 0.317 175.143 174.900 -0.123 0.000 1.055 37 G CA 0.271 45.302 45.100 -0.114 0.000 0.922 37 G HN 0.268 nan 8.290 nan 0.000 0.503 38 M N -0.089 119.416 119.600 -0.158 0.000 2.243 38 M HA 0.381 4.862 4.480 0.002 0.000 0.341 38 M C 1.536 177.716 176.300 -0.199 0.000 1.130 38 M CA 1.081 56.244 55.300 -0.229 0.000 1.162 38 M CB -0.634 31.770 32.600 -0.326 0.000 1.497 38 M HN 1.561 nan 8.290 nan 0.000 0.456 39 N N -0.401 118.158 118.700 -0.235 0.000 2.708 39 N HA -0.151 4.591 4.740 0.002 0.000 0.251 39 N C 0.185 175.648 175.510 -0.078 0.000 1.123 39 N CA 1.594 54.555 53.050 -0.149 0.000 0.739 39 N CB -2.556 35.859 38.487 -0.120 0.000 1.113 39 N HN 1.148 nan 8.380 nan 0.000 0.561 40 T N -4.006 110.508 114.554 -0.067 0.000 2.926 40 T HA 0.916 5.268 4.350 0.002 0.000 0.289 40 T C 1.249 175.940 174.700 -0.016 0.000 1.054 40 T CA 1.307 63.390 62.100 -0.029 0.000 1.015 40 T CB 0.342 69.203 68.868 -0.012 0.000 1.167 40 T HN 1.388 nan 8.240 nan 0.000 0.526 41 E N -0.109 120.092 120.200 0.001 0.000 2.077 41 E HA 0.070 4.422 4.350 0.002 0.000 0.193 41 E C 1.260 177.875 176.600 0.024 0.000 0.989 41 E CA 1.607 58.011 56.400 0.008 0.000 0.800 41 E CB -1.251 28.455 29.700 0.010 0.000 0.746 41 E HN 1.191 nan 8.360 nan 0.000 0.452 42 N N 0.169 118.897 118.700 0.046 0.000 2.955 42 N HA 0.659 5.401 4.740 0.002 0.000 0.242 42 N C -0.146 175.457 175.510 0.155 0.000 1.123 42 N CA 0.270 53.375 53.050 0.091 0.000 0.949 42 N CB 0.753 39.295 38.487 0.092 0.000 1.214 42 N HN 0.785 nan 8.380 nan 0.000 0.504 43 A N 1.098 123.981 122.820 0.104 0.000 2.293 43 A HA 0.963 5.285 4.320 0.002 0.000 0.302 43 A C -0.288 177.405 177.584 0.182 0.000 1.119 43 A CA -0.523 51.548 52.037 0.057 0.000 0.823 43 A CB 0.118 19.089 19.000 -0.047 0.000 1.097 43 A HN 1.394 nan 8.150 nan 0.000 0.491 44 F N -0.693 119.255 119.950 -0.004 0.000 2.693 44 F HA 0.675 5.203 4.527 0.002 0.000 0.309 44 F C -1.531 174.283 175.800 0.024 0.000 1.129 44 F CA -1.173 56.832 58.000 0.008 0.000 0.948 44 F CB 1.488 40.493 39.000 0.008 0.000 1.315 44 F HN 0.510 nan 8.300 nan 0.000 0.447 45 L N 3.109 124.452 121.223 0.199 0.000 2.343 45 L HA 0.711 5.052 4.340 0.002 0.000 0.278 45 L C -0.919 176.080 176.870 0.214 0.000 0.996 45 L CA -0.427 54.490 54.840 0.128 0.000 0.831 45 L CB 1.608 43.720 42.059 0.089 0.000 1.232 45 L HN 0.887 nan 8.230 nan 0.000 0.413 46 S N 5.332 121.160 115.700 0.213 0.000 2.594 46 S HA 0.580 5.052 4.470 0.002 0.000 0.322 46 S C -0.455 174.227 174.600 0.137 0.000 1.085 46 S CA -0.666 57.649 58.200 0.192 0.000 1.116 46 S CB 0.708 64.048 63.200 0.232 0.000 0.979 46 S HN 0.520 nan 8.310 nan 0.000 0.465 47 I N 3.446 124.093 120.570 0.129 0.000 2.342 47 I HA 0.258 4.430 4.170 0.002 0.000 0.291 47 I C 0.187 176.326 176.117 0.036 0.000 1.010 47 I CA -0.539 60.821 61.300 0.100 0.000 1.308 47 I CB 0.414 38.508 38.000 0.156 0.000 1.400 47 I HN 0.699 nan 8.210 nan 0.000 0.488 48 N N 4.459 123.146 118.700 -0.022 0.000 2.681 48 N HA -0.198 4.543 4.740 0.002 0.000 0.250 48 N C 0.813 176.319 175.510 -0.005 0.000 1.133 48 N CA 1.160 54.193 53.050 -0.027 0.000 0.732 48 N CB -1.463 37.015 38.487 -0.016 0.000 1.107 48 N HN 1.127 nan 8.380 nan 0.000 0.559 49 G N 0.809 109.616 108.800 0.011 0.000 2.386 49 G HA2 -0.265 3.696 3.960 0.002 0.000 0.295 49 G HA3 -0.265 3.696 3.960 0.002 0.000 0.295 49 G C 0.530 175.443 174.900 0.022 0.000 0.979 49 G CA 1.147 46.262 45.100 0.024 0.000 1.193 49 G HN 0.779 nan 8.290 nan 0.000 0.508 50 D N -1.472 118.947 120.400 0.032 0.000 2.482 50 D HA 0.412 5.054 4.640 0.002 0.000 0.251 50 D C 1.200 177.517 176.300 0.027 0.000 1.073 50 D CA 1.546 55.561 54.000 0.025 0.000 0.892 50 D CB 0.099 40.914 40.800 0.026 0.000 1.202 50 D HN 1.252 nan 8.370 nan 0.000 0.496 51 K N 0.674 121.099 120.400 0.041 0.000 3.009 51 K HA 0.422 4.744 4.320 0.002 0.000 0.228 51 K C -2.820 173.812 176.600 0.055 0.000 1.307 51 K CA -0.965 55.343 56.287 0.036 0.000 0.882 51 K CB -0.371 32.149 32.500 0.033 0.000 1.275 51 K HN -0.045 nan 8.250 nan 0.000 0.551 52 P HA 0.019 nan 4.420 nan 0.000 0.197 52 P C 0.387 177.735 177.300 0.079 0.000 1.121 52 P CA 0.589 63.739 63.100 0.085 0.000 1.318 52 P CB -0.765 30.896 31.700 -0.065 0.000 1.634 53 I N 0.067 120.712 120.570 0.125 0.000 2.496 53 I HA 0.370 4.542 4.170 0.002 0.000 0.285 53 I C 1.037 177.237 176.117 0.139 0.000 1.080 53 I CA -0.460 60.898 61.300 0.098 0.000 1.404 53 I CB -1.014 37.035 38.000 0.082 0.000 1.403 53 I HN 0.411 nan 8.210 nan 0.000 0.539 54 N N 2.849 121.606 118.700 0.095 0.000 2.508 54 N HA 0.832 5.573 4.740 0.002 0.000 0.264 54 N C -0.143 175.422 175.510 0.091 0.000 1.216 54 N CA 0.454 53.570 53.050 0.111 0.000 0.943 54 N CB 1.176 39.697 38.487 0.057 0.000 1.113 54 N HN 2.503 nan 8.380 nan 0.000 0.447 55 L N -0.187 121.093 121.223 0.094 0.000 2.685 55 L HA 0.848 5.189 4.340 0.002 0.000 0.297 55 L C 0.816 177.705 176.870 0.031 0.000 1.367 55 L CA -0.243 54.625 54.840 0.047 0.000 0.703 55 L CB -0.847 41.231 42.059 0.031 0.000 1.039 55 L HN 1.419 nan 8.230 nan 0.000 0.529 56 A N -0.462 122.379 122.820 0.036 0.000 2.546 56 A HA 0.537 4.858 4.320 0.002 0.000 0.243 56 A C 1.304 178.889 177.584 0.003 0.000 1.063 56 A CA 1.576 53.628 52.037 0.025 0.000 0.757 56 A CB -1.032 17.982 19.000 0.024 0.000 0.991 56 A HN 2.666 nan 8.150 nan 0.000 0.503 57 H N -0.971 118.094 119.070 -0.009 0.000 2.841 57 H HA 0.250 4.808 4.556 0.002 0.000 0.334 57 H C 0.262 175.571 175.328 -0.032 0.000 1.119 57 H CA 1.133 57.168 56.048 -0.022 0.000 1.109 57 H CB -1.908 27.846 29.762 -0.013 0.000 1.614 57 H HN 2.559 nan 8.280 nan 0.000 0.397 58 S N 1.594 117.261 115.700 -0.055 0.000 2.557 58 S HA 0.680 5.152 4.470 0.002 0.000 0.291 58 S C 0.373 174.906 174.600 -0.112 0.000 1.116 58 S CA -0.322 57.840 58.200 -0.063 0.000 0.992 58 S CB 0.839 64.006 63.200 -0.055 0.000 1.028 58 S HN 1.568 nan 8.310 nan 0.000 0.484 59 N N 0.212 118.863 118.700 -0.082 0.000 2.327 59 N HA 0.304 5.046 4.740 0.002 0.000 0.257 59 N C 0.390 175.839 175.510 -0.100 0.000 1.281 59 N CA -0.252 52.737 53.050 -0.101 0.000 0.942 59 N CB -0.109 38.376 38.487 -0.003 0.000 1.199 59 N HN 0.565 nan 8.380 nan 0.000 0.532 60 Y N -1.757 118.545 120.300 0.003 0.000 2.207 60 Y HA -0.167 4.385 4.550 0.002 0.000 0.287 60 Y C 2.366 178.271 175.900 0.009 0.000 1.156 60 Y CA 1.637 59.739 58.100 0.003 0.000 1.182 60 Y CB -0.094 38.370 38.460 0.006 0.000 0.979 60 Y HN 0.755 nan 8.280 nan 0.000 0.521 61 E N 0.098 120.396 120.200 0.164 0.000 2.152 61 E HA -0.176 4.176 4.350 0.002 0.000 0.192 61 E C 1.365 178.005 176.600 0.066 0.000 0.983 61 E CA 1.197 57.666 56.400 0.115 0.000 0.818 61 E CB 0.056 29.837 29.700 0.135 0.000 0.758 61 E HN 0.391 nan 8.360 nan 0.000 0.467 62 D N 0.391 120.813 120.400 0.038 0.000 2.097 62 D HA -0.121 4.520 4.640 0.002 0.000 0.197 62 D C 1.869 178.166 176.300 -0.004 0.000 0.984 62 D CA 1.338 55.343 54.000 0.008 0.000 0.826 62 D CB -0.365 40.430 40.800 -0.009 0.000 0.973 62 D HN 0.286 nan 8.370 nan 0.000 0.460 63 A N 1.034 123.848 122.820 -0.011 0.000 1.883 63 A HA -0.142 4.179 4.320 0.002 0.000 0.217 63 A C 2.315 179.888 177.584 -0.019 0.000 1.186 63 A CA 0.980 53.004 52.037 -0.021 0.000 0.624 63 A CB -0.852 18.129 19.000 -0.032 0.000 0.822 63 A HN 0.245 nan 8.150 nan 0.000 0.444 64 L N -1.092 120.139 121.223 0.013 0.000 2.217 64 L HA -0.131 4.210 4.340 0.002 0.000 0.211 64 L C 3.128 179.993 176.870 -0.009 0.000 1.107 64 L CA 1.489 56.328 54.840 -0.002 0.000 0.783 64 L CB -0.383 41.713 42.059 0.062 0.000 0.919 64 L HN 0.539 nan 8.230 nan 0.000 0.442 65 K N -0.147 120.252 120.400 -0.002 0.000 2.097 65 K HA -0.052 4.270 4.320 0.002 0.000 0.205 65 K C 2.038 178.617 176.600 -0.036 0.000 1.050 65 K CA 1.246 57.520 56.287 -0.022 0.000 0.938 65 K CB -1.104 31.386 32.500 -0.016 0.000 0.718 65 K HN 0.501 nan 8.250 nan 0.000 0.442 66 A N 1.071 123.871 122.820 -0.034 0.000 1.883 66 A HA -0.047 4.274 4.320 0.002 0.000 0.217 66 A C 2.462 180.007 177.584 -0.065 0.000 1.186 66 A CA 1.707 53.724 52.037 -0.034 0.000 0.624 66 A CB -0.413 18.574 19.000 -0.022 0.000 0.822 66 A HN 0.500 nan 8.150 nan 0.000 0.444 67 I N -0.186 120.307 120.570 -0.129 0.000 2.163 67 I HA -0.298 3.873 4.170 0.002 0.000 0.243 67 I C 2.945 178.946 176.117 -0.194 0.000 1.085 67 I CA 1.147 62.274 61.300 -0.289 0.000 1.347 67 I CB -0.309 37.345 38.000 -0.577 0.000 1.044 67 I HN 0.356 nan 8.210 nan 0.000 0.408 68 A N 0.513 123.284 122.820 -0.081 0.000 1.972 68 A HA -0.212 4.109 4.320 0.002 0.000 0.219 68 A C 2.584 180.165 177.584 -0.006 0.000 1.169 68 A CA 2.120 54.169 52.037 0.021 0.000 0.635 68 A CB -1.577 17.427 19.000 0.008 0.000 0.810 68 A HN 0.443 nan 8.150 nan 0.000 0.446 69 F N 0.045 119.977 119.950 -0.029 0.000 2.102 69 F HA -0.116 4.413 4.527 0.002 0.000 0.298 69 F C 2.324 178.124 175.800 0.000 0.000 1.105 69 F CA 1.811 59.801 58.000 -0.017 0.000 1.239 69 F CB -0.866 38.124 39.000 -0.017 0.000 0.991 69 F HN 0.374 nan 8.300 nan 0.000 0.474 70 E N 0.007 120.206 120.200 -0.001 0.000 2.204 70 E HA -0.122 4.229 4.350 0.002 0.000 0.194 70 E C 2.147 178.772 176.600 0.042 0.000 0.989 70 E CA 1.041 57.457 56.400 0.027 0.000 0.824 70 E CB -0.496 29.232 29.700 0.046 0.000 0.756 70 E HN 0.607 nan 8.360 nan 0.000 0.477 71 L N 1.136 122.379 121.223 0.033 0.000 2.072 71 L HA -0.155 4.187 4.340 0.002 0.000 0.205 71 L C 2.448 179.352 176.870 0.056 0.000 1.079 71 L CA 1.742 56.617 54.840 0.059 0.000 0.752 71 L CB -0.554 41.551 42.059 0.077 0.000 0.906 71 L HN 0.213 nan 8.230 nan 0.000 0.436 72 E N -0.171 120.054 120.200 0.043 0.000 2.208 72 E HA -0.169 4.183 4.350 0.002 0.000 0.193 72 E C 2.088 178.703 176.600 0.024 0.000 0.988 72 E CA 1.248 57.667 56.400 0.032 0.000 0.828 72 E CB -0.218 29.489 29.700 0.013 0.000 0.763 72 E HN 0.346 nan 8.360 nan 0.000 0.478 73 K N 1.835 122.250 120.400 0.024 0.000 2.283 73 K HA 0.007 4.329 4.320 0.002 0.000 0.202 73 K C 1.913 178.528 176.600 0.026 0.000 1.048 73 K CA 1.290 57.590 56.287 0.022 0.000 0.948 73 K CB -0.618 31.895 32.500 0.022 0.000 0.742 73 K HN 0.214 nan 8.250 nan 0.000 0.458 74 R N 0.289 120.810 120.500 0.034 0.000 2.507 74 R HA 0.113 4.454 4.340 0.002 0.000 0.298 74 R C -0.652 175.668 176.300 0.033 0.000 0.999 74 R CA 0.006 56.127 56.100 0.034 0.000 1.082 74 R CB 0.318 30.644 30.300 0.044 0.000 1.246 74 R HN 0.339 nan 8.270 nan 0.000 0.553 75 D N 0.843 121.261 120.400 0.031 0.000 2.737 75 D HA -0.217 4.425 4.640 0.002 0.000 0.233 75 D C 0.508 176.830 176.300 0.037 0.000 1.155 75 D CA 0.822 54.841 54.000 0.030 0.000 0.667 75 D CB -0.799 40.014 40.800 0.023 0.000 1.060 75 D HN 0.382 nan 8.370 nan 0.000 0.427 76 L N -0.712 120.539 121.223 0.046 0.000 2.463 76 L HA -0.028 4.313 4.340 0.002 0.000 0.219 76 L C 2.471 179.381 176.870 0.068 0.000 1.088 76 L CA 0.598 55.468 54.840 0.051 0.000 0.849 76 L CB 0.006 42.098 42.059 0.055 0.000 1.012 76 L HN -0.001 nan 8.230 nan 0.000 0.468 77 T N -0.249 114.358 114.554 0.088 0.000 2.699 77 T HA -0.203 4.149 4.350 0.002 0.000 0.268 77 T C 1.232 176.009 174.700 0.129 0.000 1.036 77 T CA 1.678 63.864 62.100 0.144 0.000 1.147 77 T CB -0.163 68.773 68.868 0.112 0.000 0.862 77 T HN 0.324 nan 8.240 nan 0.000 0.446 78 D N 0.518 120.965 120.400 0.078 0.000 2.347 78 D HA 0.081 4.723 4.640 0.002 0.000 0.215 78 D C 1.824 178.155 176.300 0.052 0.000 0.976 78 D CA 0.441 54.479 54.000 0.063 0.000 0.884 78 D CB -0.021 40.804 40.800 0.041 0.000 0.915 78 D HN 0.273 nan 8.370 nan 0.000 0.526 79 S N -0.079 115.648 115.700 0.046 0.000 2.535 79 S HA 0.065 4.536 4.470 0.002 0.000 0.214 79 S C 0.851 175.461 174.600 0.016 0.000 0.980 79 S CA -0.234 57.983 58.200 0.028 0.000 0.907 79 S CB 0.871 64.084 63.200 0.021 0.000 0.790 79 S HN -0.007 nan 8.310 nan 0.000 0.510 80 V N 3.006 122.932 119.914 0.021 0.000 2.400 80 V HA 0.142 4.264 4.120 0.002 0.000 0.263 80 V C 1.154 177.235 176.094 -0.022 0.000 1.026 80 V CA 0.220 62.500 62.300 -0.034 0.000 1.077 80 V CB 0.000 31.761 31.823 -0.103 0.000 1.054 80 V HN 0.431 nan 8.190 nan 0.000 0.477 81 A N 6.033 128.835 122.820 -0.030 0.000 2.169 81 A HA 0.538 4.860 4.320 0.002 0.000 0.210 81 A C 0.525 178.092 177.584 -0.029 0.000 1.168 81 A CA 0.447 52.476 52.037 -0.015 0.000 0.813 81 A CB 0.239 19.235 19.000 -0.007 0.000 0.861 81 A HN 0.625 nan 8.150 nan 0.000 0.481 82 L N -0.299 120.886 121.223 -0.063 0.000 2.506 82 L HA 0.532 4.874 4.340 0.002 0.000 0.257 82 L C -1.427 175.363 176.870 -0.133 0.000 0.964 82 L CA -0.447 54.352 54.840 -0.069 0.000 0.836 82 L CB 2.406 44.439 42.059 -0.044 0.000 1.384 82 L HN 0.066 nan 8.230 nan 0.000 0.410 83 I N 1.112 121.601 120.570 -0.136 0.000 2.436 83 I HA 0.544 4.715 4.170 0.002 0.000 0.289 83 I C 0.148 176.164 176.117 -0.170 0.000 1.010 83 I CA -0.532 60.637 61.300 -0.219 0.000 1.098 83 I CB 2.080 39.910 38.000 -0.282 0.000 1.266 83 I HN 0.649 nan 8.210 nan 0.000 0.434 84 G N 4.717 113.384 108.800 -0.222 0.000 2.368 84 G HA2 0.488 4.449 3.960 0.002 0.000 0.320 84 G HA3 0.488 4.449 3.960 0.002 0.000 0.320 84 G C -0.804 173.929 174.900 -0.279 0.000 1.158 84 G CA -0.309 44.691 45.100 -0.167 0.000 0.912 84 G HN 0.599 nan 8.290 nan 0.000 0.456 85 H N 1.674 120.653 119.070 -0.151 0.000 2.481 85 H HA 0.291 4.848 4.556 0.002 0.000 0.333 85 H C -0.135 175.058 175.328 -0.225 0.000 1.066 85 H CA -0.598 55.348 56.048 -0.171 0.000 1.209 85 H CB 2.337 31.985 29.762 -0.190 0.000 1.445 85 H HN 0.484 nan 8.280 nan 0.000 0.488 86 R N 3.669 124.121 120.500 -0.080 0.000 2.267 86 R HA 0.194 4.535 4.340 0.002 0.000 0.319 86 R C -0.682 175.525 176.300 -0.154 0.000 1.067 86 R CA -0.426 55.599 56.100 -0.125 0.000 0.936 86 R CB 0.150 30.404 30.300 -0.075 0.000 1.006 86 R HN 0.412 nan 8.270 nan 0.000 0.452 87 I N 4.459 124.868 120.570 -0.269 0.000 2.404 87 I HA 0.219 4.390 4.170 0.002 0.000 0.293 87 I C 1.073 177.163 176.117 -0.046 0.000 0.992 87 I CA -0.545 60.609 61.300 -0.243 0.000 1.149 87 I CB 1.134 38.779 38.000 -0.591 0.000 1.315 87 I HN 0.835 nan 8.210 nan 0.000 0.446 88 A N 5.198 128.038 122.820 0.032 0.000 1.930 88 A HA -0.094 4.227 4.320 0.002 0.000 0.217 88 A C 0.800 178.530 177.584 0.243 0.000 1.175 88 A CA 1.533 53.627 52.037 0.094 0.000 0.627 88 A CB -0.132 18.892 19.000 0.041 0.000 0.815 88 A HN 0.746 nan 8.150 nan 0.000 0.443 89 H N -2.104 117.070 119.070 0.175 0.000 3.017 89 H HA 0.423 4.981 4.556 0.003 0.000 0.340 89 H C 0.260 175.691 175.328 0.172 0.000 1.014 89 H CA 0.172 56.317 56.048 0.162 0.000 1.341 89 H CB 1.411 31.214 29.762 0.069 0.000 1.739 89 H HN 0.081 nan 8.280 nan 0.000 0.506 90 G N 2.253 111.225 108.800 0.287 0.000 3.393 90 G HA2 0.331 4.293 3.960 0.002 0.000 0.255 90 G HA3 0.331 4.293 3.960 0.002 0.000 0.255 90 G C 0.943 175.929 174.900 0.143 0.000 1.097 90 G CA 0.322 45.512 45.100 0.151 0.000 0.780 90 G HN 0.961 nan 8.290 nan 0.000 0.540 91 G N 1.240 110.129 108.800 0.147 0.000 2.602 91 G HA2 -0.355 3.607 3.960 0.002 0.000 0.306 91 G HA3 -0.355 3.607 3.960 0.002 0.000 0.306 91 G C 0.777 175.727 174.900 0.083 0.000 1.301 91 G CA 0.640 45.697 45.100 -0.071 0.000 0.974 91 G HN 0.394 nan 8.290 nan 0.000 0.547 92 E N 0.147 120.397 120.200 0.082 0.000 2.474 92 E HA 0.245 4.597 4.350 0.002 0.000 0.194 92 E C 2.576 179.091 176.600 -0.143 0.000 1.041 92 E CA 0.009 56.414 56.400 0.008 0.000 0.874 92 E CB 0.093 29.794 29.700 0.002 0.000 0.914 92 E HN 0.447 nan 8.360 nan 0.000 0.498 93 L N -0.157 120.903 121.223 -0.272 0.000 2.313 93 L HA 0.057 4.399 4.340 0.002 0.000 0.214 93 L C 0.277 176.630 176.870 -0.862 0.000 1.119 93 L CA 0.625 55.112 54.840 -0.589 0.000 0.809 93 L CB 0.041 41.615 42.059 -0.809 0.000 0.933 93 L HN 0.022 nan 8.230 nan 0.000 0.449 94 F N -0.576 119.185 119.950 -0.315 0.000 2.449 94 F HA 0.216 4.745 4.527 0.002 0.000 0.342 94 F C 1.033 176.689 175.800 -0.239 0.000 1.127 94 F CA -0.672 57.076 58.000 -0.420 0.000 0.975 94 F CB 1.552 39.879 39.000 -1.122 0.000 1.146 94 F HN -0.215 nan 8.300 nan 0.000 0.444 95 T N -1.400 113.170 114.554 0.027 0.000 3.010 95 T HA 0.247 4.598 4.350 0.002 0.000 0.257 95 T C -0.015 174.742 174.700 0.095 0.000 1.020 95 T CA -0.077 62.047 62.100 0.039 0.000 0.938 95 T CB -0.002 68.870 68.868 0.007 0.000 1.049 95 T HN 0.677 nan 8.240 nan 0.000 0.522 96 Q N -0.232 119.657 119.800 0.147 0.000 2.630 96 Q HA 0.605 4.946 4.340 0.002 0.000 0.295 96 Q C -1.573 174.579 176.000 0.253 0.000 0.944 96 Q CA -1.002 54.903 55.803 0.170 0.000 0.766 96 Q CB 0.914 29.724 28.738 0.121 0.000 1.471 96 Q HN -0.031 nan 8.270 nan 0.000 0.416 97 S N 0.494 116.320 115.700 0.210 0.000 2.576 97 S HA 0.501 4.973 4.470 0.002 0.000 0.276 97 S C -0.075 174.648 174.600 0.205 0.000 1.339 97 S CA -0.254 58.071 58.200 0.208 0.000 1.039 97 S CB 0.827 64.092 63.200 0.109 0.000 0.902 97 S HN 0.615 nan 8.310 nan 0.000 0.516 98 V N 0.571 120.607 119.914 0.203 0.000 3.007 98 V HA 0.605 4.726 4.120 0.002 0.000 0.311 98 V C -0.460 175.705 176.094 0.118 0.000 1.120 98 V CA -1.206 61.206 62.300 0.187 0.000 0.980 98 V CB 1.300 33.285 31.823 0.269 0.000 1.033 98 V HN 0.777 nan 8.190 nan 0.000 0.429 99 I N 3.240 123.873 120.570 0.105 0.000 2.598 99 I HA 0.211 4.383 4.170 0.002 0.000 0.284 99 I C 0.231 176.390 176.117 0.071 0.000 1.140 99 I CA 0.179 61.523 61.300 0.074 0.000 1.420 99 I CB 0.633 38.671 38.000 0.064 0.000 1.387 99 I HN 0.506 nan 8.210 nan 0.000 0.553 100 I N 6.608 127.203 120.570 0.042 0.000 2.471 100 I HA 0.116 4.287 4.170 0.002 0.000 0.286 100 I C 0.707 176.845 176.117 0.035 0.000 1.079 100 I CA 0.283 61.597 61.300 0.023 0.000 1.398 100 I CB 0.567 38.544 38.000 -0.038 0.000 1.403 100 I HN 0.688 nan 8.210 nan 0.000 0.530 101 T N 0.060 114.643 114.554 0.048 0.000 2.804 101 T HA 0.268 4.619 4.350 0.002 0.000 0.290 101 T C 0.546 175.274 174.700 0.046 0.000 1.099 101 T CA -0.790 61.338 62.100 0.047 0.000 1.011 101 T CB 1.743 70.645 68.868 0.057 0.000 1.291 101 T HN 0.415 nan 8.240 nan 0.000 0.523 102 D N 0.164 120.590 120.400 0.042 0.000 2.149 102 D HA -0.128 4.514 4.640 0.002 0.000 0.198 102 D C 1.674 178.006 176.300 0.054 0.000 0.990 102 D CA 1.476 55.501 54.000 0.041 0.000 0.839 102 D CB -0.013 40.808 40.800 0.035 0.000 0.948 102 D HN 0.803 nan 8.370 nan 0.000 0.460 103 E N 0.146 120.384 120.200 0.062 0.000 2.051 103 E HA -0.161 4.191 4.350 0.002 0.000 0.192 103 E C 2.079 178.752 176.600 0.122 0.000 0.991 103 E CA 0.633 57.077 56.400 0.074 0.000 0.799 103 E CB 0.130 29.869 29.700 0.065 0.000 0.748 103 E HN 0.081 nan 8.360 nan 0.000 0.449 104 I N 1.303 121.966 120.570 0.155 0.000 2.226 104 I HA -0.258 3.914 4.170 0.002 0.000 0.245 104 I C 2.479 178.716 176.117 0.201 0.000 1.100 104 I CA 1.100 62.553 61.300 0.256 0.000 1.374 104 I CB -1.078 37.044 38.000 0.203 0.000 1.057 104 I HN 0.250 nan 8.210 nan 0.000 0.413 105 I N 0.879 121.509 120.570 0.100 0.000 2.163 105 I HA -0.321 3.851 4.170 0.002 0.000 0.243 105 I C 2.191 178.362 176.117 0.090 0.000 1.085 105 I CA 1.473 62.810 61.300 0.062 0.000 1.347 105 I CB -0.460 37.551 38.000 0.019 0.000 1.044 105 I HN 0.194 nan 8.210 nan 0.000 0.408 106 D N 0.786 121.239 120.400 0.088 0.000 2.123 106 D HA -0.161 4.481 4.640 0.002 0.000 0.196 106 D C 1.909 178.269 176.300 0.101 0.000 0.992 106 D CA 1.181 55.228 54.000 0.079 0.000 0.833 106 D CB -0.494 40.340 40.800 0.057 0.000 0.954 106 D HN 0.325 nan 8.370 nan 0.000 0.455 107 N N 0.477 119.265 118.700 0.148 0.000 2.216 107 N HA -0.034 4.708 4.740 0.002 0.000 0.183 107 N C 2.103 177.782 175.510 0.280 0.000 1.017 107 N CA 0.279 53.430 53.050 0.168 0.000 0.861 107 N CB -0.115 38.457 38.487 0.143 0.000 0.986 107 N HN 0.284 nan 8.380 nan 0.000 0.428 108 I N 0.710 121.476 120.570 0.327 0.000 2.286 108 I HA -0.214 3.957 4.170 0.002 0.000 0.248 108 I C 2.527 178.721 176.117 0.127 0.000 1.115 108 I CA 0.852 62.299 61.300 0.245 0.000 1.392 108 I CB -0.091 37.990 38.000 0.135 0.000 1.065 108 I HN 0.030 nan 8.210 nan 0.000 0.418 109 R N 0.834 121.405 120.500 0.119 0.000 2.096 109 R HA -0.104 4.237 4.340 0.002 0.000 0.235 109 R C 2.457 178.819 176.300 0.103 0.000 1.127 109 R CA 1.235 57.412 56.100 0.128 0.000 0.968 109 R CB -0.081 30.294 30.300 0.126 0.000 0.861 109 R HN 0.216 nan 8.270 nan 0.000 0.440 110 R N -0.362 120.184 120.500 0.077 0.000 2.105 110 R HA -0.108 4.233 4.340 0.002 0.000 0.239 110 R C 2.040 178.346 176.300 0.009 0.000 1.135 110 R CA 1.788 57.911 56.100 0.039 0.000 0.967 110 R CB -0.198 30.111 30.300 0.015 0.000 0.861 110 R HN 0.284 nan 8.270 nan 0.000 0.442 111 V N -2.914 117.005 119.914 0.007 0.000 3.608 111 V HA 0.098 4.219 4.120 0.002 0.000 0.269 111 V C 1.617 177.626 176.094 -0.142 0.000 1.245 111 V CA 0.781 63.043 62.300 -0.062 0.000 1.138 111 V CB 0.743 32.558 31.823 -0.013 0.000 0.841 111 V HN 0.022 nan 8.190 nan 0.000 0.451 112 S N 1.662 117.291 115.700 -0.118 0.000 2.399 112 S HA -0.022 4.450 4.470 0.002 0.000 0.231 112 S C -0.231 174.208 174.600 -0.268 0.000 1.022 112 S CA 1.986 60.005 58.200 -0.301 0.000 0.983 112 S CB -1.188 61.703 63.200 -0.515 0.000 0.803 112 S HN 0.574 nan 8.310 nan 0.000 0.480 113 P HA -0.056 nan 4.420 nan 0.000 0.221 113 P C 1.054 178.297 177.300 -0.096 0.000 1.145 113 P CA 0.848 63.936 63.100 -0.019 0.000 0.795 113 P CB -0.150 31.559 31.700 0.015 0.000 0.775 114 L N -2.021 119.062 121.223 -0.233 0.000 2.291 114 L HA -0.000 4.341 4.340 0.002 0.000 0.214 114 L C 1.184 177.880 176.870 -0.291 0.000 1.120 114 L CA 0.798 55.421 54.840 -0.362 0.000 0.799 114 L CB -0.435 41.110 42.059 -0.856 0.000 0.925 114 L HN -0.077 nan 8.230 nan 0.000 0.446 115 A N -1.047 121.635 122.820 -0.230 0.000 3.370 115 A HA 0.379 4.700 4.320 0.002 0.000 0.295 115 A C -1.917 175.619 177.584 -0.081 0.000 1.030 115 A CA -0.809 51.196 52.037 -0.055 0.000 0.883 115 A CB 0.052 19.087 19.000 0.058 0.000 1.191 115 A HN -0.111 nan 8.150 nan 0.000 0.507 116 P HA -0.183 nan 4.420 nan 0.000 0.214 116 P C 2.120 179.454 177.300 0.056 0.000 1.163 116 P CA 2.494 65.597 63.100 0.006 0.000 0.889 116 P CB -0.030 31.769 31.700 0.164 0.000 0.790 117 L N 0.025 121.294 121.223 0.077 0.000 1.970 117 L HA -0.210 4.131 4.340 0.002 0.000 0.212 117 L C 2.727 179.539 176.870 -0.097 0.000 1.071 117 L CA 2.849 57.682 54.840 -0.013 0.000 0.751 117 L CB -2.870 39.074 42.059 -0.191 0.000 0.889 117 L HN 0.074 nan 8.230 nan 0.000 0.432 118 H N -0.633 118.411 119.070 -0.043 0.000 2.357 118 H HA -0.090 4.468 4.556 0.002 0.000 0.301 118 H C 2.348 177.607 175.328 -0.115 0.000 1.082 118 H CA 1.646 57.657 56.048 -0.061 0.000 1.342 118 H CB -0.142 29.584 29.762 -0.061 0.000 1.389 118 H HN 0.577 nan 8.280 nan 0.000 0.511 119 N N -0.190 118.457 118.700 -0.089 0.000 2.188 119 N HA -0.129 4.612 4.740 0.002 0.000 0.184 119 N C 1.226 176.589 175.510 -0.245 0.000 1.018 119 N CA 1.000 53.923 53.050 -0.210 0.000 0.858 119 N CB -0.240 38.056 38.487 -0.319 0.000 0.989 119 N HN 0.454 nan 8.380 nan 0.000 0.426 120 Y N 0.140 120.418 120.300 -0.036 0.000 2.314 120 Y HA -0.012 4.540 4.550 0.002 0.000 0.293 120 Y C 2.323 178.125 175.900 -0.162 0.000 1.129 120 Y CA 0.601 58.657 58.100 -0.072 0.000 1.201 120 Y CB -0.155 38.280 38.460 -0.042 0.000 0.999 120 Y HN 0.054 nan 8.280 nan 0.000 0.541 121 A N 0.941 123.710 122.820 -0.085 0.000 1.902 121 A HA -0.248 4.073 4.320 0.002 0.000 0.217 121 A C 1.822 179.185 177.584 -0.368 0.000 1.181 121 A CA 2.070 53.883 52.037 -0.374 0.000 0.623 121 A CB -1.003 17.846 19.000 -0.253 0.000 0.818 121 A HN 0.611 nan 8.150 nan 0.000 0.443 122 N N -0.155 118.434 118.700 -0.186 0.000 2.120 122 N HA -0.108 4.634 4.740 0.002 0.000 0.188 122 N C 1.589 176.998 175.510 -0.169 0.000 1.024 122 N CA 1.333 54.293 53.050 -0.149 0.000 0.852 122 N CB -0.298 38.121 38.487 -0.114 0.000 1.003 122 N HN 0.420 nan 8.380 nan 0.000 0.424 123 L N 0.489 121.631 121.223 -0.136 0.000 2.093 123 L HA -0.097 4.244 4.340 0.002 0.000 0.208 123 L C 2.283 179.072 176.870 -0.135 0.000 1.085 123 L CA 0.771 55.545 54.840 -0.111 0.000 0.755 123 L CB -0.218 41.840 42.059 -0.002 0.000 0.904 123 L HN 0.143 nan 8.230 nan 0.000 0.435 124 S N -0.067 115.524 115.700 -0.181 0.000 2.368 124 S HA -0.148 4.323 4.470 0.002 0.000 0.225 124 S C 2.045 176.543 174.600 -0.171 0.000 1.030 124 S CA 1.276 59.356 58.200 -0.200 0.000 0.999 124 S CB -0.678 62.289 63.200 -0.389 0.000 0.844 124 S HN 0.615 nan 8.310 nan 0.000 0.459 125 G N 1.609 110.283 108.800 -0.210 0.000 2.440 125 G HA2 -0.157 3.805 3.960 0.002 0.000 0.218 125 G HA3 -0.157 3.805 3.960 0.002 0.000 0.218 125 G C 1.346 176.257 174.900 0.020 0.000 1.154 125 G CA 0.710 45.785 45.100 -0.041 0.000 0.767 125 G HN 0.483 nan 8.290 nan 0.000 0.552 126 I N 0.598 121.059 120.570 -0.181 0.000 2.179 126 I HA -0.138 4.034 4.170 0.002 0.000 0.242 126 I C 2.441 178.435 176.117 -0.206 0.000 1.088 126 I CA 1.495 62.562 61.300 -0.388 0.000 1.357 126 I CB -0.237 37.467 38.000 -0.493 0.000 1.051 126 I HN 0.133 nan 8.210 nan 0.000 0.409 127 D N 0.885 121.160 120.400 -0.208 0.000 2.104 127 D HA -0.200 4.442 4.640 0.002 0.000 0.194 127 D C 2.181 178.204 176.300 -0.461 0.000 0.994 127 D CA 1.707 55.508 54.000 -0.331 0.000 0.830 127 D CB 0.039 40.690 40.800 -0.248 0.000 0.959 127 D HN 0.306 nan 8.370 nan 0.000 0.452 128 A N 0.393 123.102 122.820 -0.186 0.000 1.877 128 A HA -0.004 4.317 4.320 0.002 0.000 0.216 128 A C 2.359 179.980 177.584 0.061 0.000 1.186 128 A CA 2.385 54.400 52.037 -0.037 0.000 0.620 128 A CB -1.137 17.904 19.000 0.068 0.000 0.822 128 A HN 0.322 nan 8.150 nan 0.000 0.443 129 A N -0.630 122.268 122.820 0.130 0.000 1.969 129 A HA -0.120 4.202 4.320 0.002 0.000 0.218 129 A C 2.224 179.968 177.584 0.267 0.000 1.169 129 A CA 1.278 53.482 52.037 0.279 0.000 0.635 129 A CB -0.417 18.778 19.000 0.325 0.000 0.810 129 A HN 0.459 nan 8.150 nan 0.000 0.445 130 R N -0.833 119.729 120.500 0.103 0.000 2.092 130 R HA -0.099 4.243 4.340 0.002 0.000 0.231 130 R C 1.905 178.302 176.300 0.161 0.000 1.119 130 R CA 1.599 57.756 56.100 0.095 0.000 0.970 130 R CB -0.726 29.573 30.300 -0.003 0.000 0.864 130 R HN 0.800 nan 8.270 nan 0.000 0.440 131 H N 0.274 119.380 119.070 0.061 0.000 2.357 131 H HA -0.022 4.536 4.556 0.002 0.000 0.301 131 H C 2.030 177.336 175.328 -0.036 0.000 1.082 131 H CA 0.949 57.005 56.048 0.014 0.000 1.342 131 H CB 0.103 29.870 29.762 0.008 0.000 1.389 131 H HN 0.050 nan 8.280 nan 0.000 0.511 132 L N -0.498 120.770 121.223 0.074 0.000 2.446 132 L HA 0.022 4.364 4.340 0.002 0.000 0.219 132 L C -0.167 176.326 176.870 -0.628 0.000 1.116 132 L CA 0.432 55.111 54.840 -0.269 0.000 0.844 132 L CB 0.463 42.332 42.059 -0.317 0.000 0.970 132 L HN 0.159 nan 8.230 nan 0.000 0.457 133 F N -1.018 118.959 119.950 0.046 0.000 2.627 133 F HA 0.302 4.830 4.527 0.002 0.000 0.344 133 F C -1.910 173.913 175.800 0.038 0.000 1.505 133 F CA -1.325 56.694 58.000 0.032 0.000 1.111 133 F CB 0.429 39.441 39.000 0.021 0.000 1.585 133 F HN -0.167 nan 8.300 nan 0.000 0.582 134 P HA -0.010 nan 4.420 nan 0.000 0.231 134 P C 1.251 178.607 177.300 0.094 0.000 1.168 134 P CA 0.772 63.938 63.100 0.110 0.000 0.779 134 P CB 0.361 32.104 31.700 0.072 0.000 0.844 135 A N -0.597 122.280 122.820 0.096 0.000 2.337 135 A HA 0.271 4.593 4.320 0.002 0.000 0.227 135 A C 0.529 178.164 177.584 0.086 0.000 1.259 135 A CA 0.097 52.180 52.037 0.076 0.000 0.870 135 A CB -0.319 18.717 19.000 0.060 0.000 0.927 135 A HN 0.019 nan 8.150 nan 0.000 0.497 136 V N 0.706 120.688 119.914 0.114 0.000 2.417 136 V HA 0.298 4.419 4.120 0.002 0.000 0.291 136 V C 0.502 176.633 176.094 0.062 0.000 1.024 136 V CA -0.914 61.439 62.300 0.088 0.000 0.861 136 V CB 1.346 33.232 31.823 0.105 0.000 0.985 136 V HN 0.610 nan 8.190 nan 0.000 0.436 137 R N 4.092 124.614 120.500 0.037 0.000 2.585 137 R HA 0.185 4.527 4.340 0.002 0.000 0.275 137 R C -0.357 175.958 176.300 0.026 0.000 1.018 137 R CA 0.384 56.503 56.100 0.032 0.000 1.072 137 R CB 0.428 30.740 30.300 0.021 0.000 0.953 137 R HN 0.773 nan 8.270 nan 0.000 0.419 138 Q N 2.464 122.290 119.800 0.044 0.000 2.394 138 Q HA 0.501 4.842 4.340 0.002 0.000 0.273 138 Q C -1.403 174.634 176.000 0.063 0.000 1.089 138 Q CA -1.133 54.711 55.803 0.068 0.000 0.812 138 Q CB 2.916 31.727 28.738 0.123 0.000 1.353 138 Q HN 0.350 nan 8.270 nan 0.000 0.438 139 V N 0.621 120.580 119.914 0.076 0.000 2.789 139 V HA 0.736 4.857 4.120 0.002 0.000 0.311 139 V C -1.060 175.031 176.094 -0.005 0.000 1.073 139 V CA -0.766 61.553 62.300 0.032 0.000 0.921 139 V CB 1.980 33.815 31.823 0.021 0.000 1.009 139 V HN 0.873 nan 8.190 nan 0.000 0.426 140 A N 3.904 126.661 122.820 -0.105 0.000 2.288 140 A HA 0.856 5.178 4.320 0.002 0.000 0.320 140 A C -0.931 176.392 177.584 -0.435 0.000 1.217 140 A CA -0.493 51.329 52.037 -0.359 0.000 0.840 140 A CB 1.296 19.969 19.000 -0.545 0.000 1.179 140 A HN 0.737 nan 8.150 nan 0.000 0.504 141 V N 3.046 122.662 119.914 -0.497 0.000 2.407 141 V HA 0.439 4.560 4.120 0.002 0.000 0.291 141 V C -1.094 174.749 176.094 -0.418 0.000 1.018 141 V CA -0.292 61.831 62.300 -0.296 0.000 0.842 141 V CB 0.800 32.544 31.823 -0.130 0.000 0.996 141 V HN 0.713 nan 8.190 nan 0.000 0.426 142 F N 2.088 121.998 119.950 -0.066 0.000 2.420 142 F HA 0.438 4.966 4.527 0.002 0.000 0.342 142 F C 1.358 177.146 175.800 -0.021 0.000 1.113 142 F CA -0.651 57.314 58.000 -0.058 0.000 1.059 142 F CB 1.216 40.178 39.000 -0.064 0.000 1.128 142 F HN 0.453 nan 8.300 nan 0.000 0.475 143 D N 0.603 121.092 120.400 0.148 0.000 2.348 143 D HA -0.088 4.553 4.640 0.002 0.000 0.216 143 D C 1.953 178.307 176.300 0.088 0.000 0.970 143 D CA 1.295 55.368 54.000 0.121 0.000 0.889 143 D CB 0.042 40.937 40.800 0.158 0.000 0.912 143 D HN 0.634 nan 8.370 nan 0.000 0.524 144 T N -2.552 112.029 114.554 0.045 0.000 3.037 144 T HA -0.029 4.322 4.350 0.002 0.000 0.251 144 T C 2.020 176.726 174.700 0.010 0.000 1.079 144 T CA 0.643 62.695 62.100 -0.080 0.000 1.067 144 T CB 0.114 68.824 68.868 -0.262 0.000 0.948 144 T HN 0.027 nan 8.240 nan 0.000 0.496 145 S N 1.357 117.108 115.700 0.084 0.000 2.383 145 S HA -0.077 4.395 4.470 0.002 0.000 0.227 145 S C 1.724 176.368 174.600 0.073 0.000 1.026 145 S CA 0.371 58.625 58.200 0.090 0.000 0.981 145 S CB -1.068 62.236 63.200 0.173 0.000 0.818 145 S HN 0.347 nan 8.310 nan 0.000 0.472 146 F N 3.292 123.152 119.950 -0.148 0.000 2.202 146 F HA -0.104 4.425 4.527 0.002 0.000 0.301 146 F C 2.155 177.830 175.800 -0.209 0.000 1.082 146 F CA 1.516 59.390 58.000 -0.209 0.000 1.313 146 F CB -0.501 38.316 39.000 -0.305 0.000 1.024 146 F HN 0.335 nan 8.300 nan 0.000 0.495 147 H N -0.864 118.172 119.070 -0.056 0.000 2.539 147 H HA 0.128 4.686 4.556 0.002 0.000 0.267 147 H C 1.747 176.982 175.328 -0.154 0.000 0.982 147 H CA 0.332 56.277 56.048 -0.172 0.000 1.146 147 H CB -0.128 29.559 29.762 -0.125 0.000 1.382 147 H HN 0.347 nan 8.280 nan 0.000 0.577 148 Q N 0.592 120.372 119.800 -0.034 0.000 2.488 148 Q HA -0.042 4.300 4.340 0.002 0.000 0.211 148 Q C 1.568 177.536 176.000 -0.054 0.000 0.967 148 Q CA 0.867 56.641 55.803 -0.048 0.000 0.926 148 Q CB -0.154 28.565 28.738 -0.032 0.000 0.992 148 Q HN 0.568 nan 8.270 nan 0.000 0.506 149 T N -2.608 111.894 114.554 -0.087 0.000 3.148 149 T HA 0.096 4.447 4.350 0.002 0.000 0.253 149 T C 0.771 175.443 174.700 -0.047 0.000 1.134 149 T CA -0.268 61.786 62.100 -0.076 0.000 1.051 149 T CB -0.034 68.755 68.868 -0.133 0.000 0.959 149 T HN -0.087 nan 8.240 nan 0.000 0.525 150 L N 2.392 123.603 121.223 -0.021 0.000 2.490 150 L HA 0.456 4.798 4.340 0.002 0.000 0.274 150 L C 0.853 177.788 176.870 0.108 0.000 1.201 150 L CA -0.007 54.844 54.840 0.018 0.000 0.869 150 L CB -0.077 42.004 42.059 0.036 0.000 1.123 150 L HN 0.354 nan 8.230 nan 0.000 0.484 151 A N 5.942 128.748 122.820 -0.024 0.000 2.386 151 A HA 0.430 4.751 4.320 0.002 0.000 0.248 151 A C -1.542 175.775 177.584 -0.445 0.000 1.082 151 A CA -0.985 50.982 52.037 -0.116 0.000 0.789 151 A CB -0.231 18.688 19.000 -0.135 0.000 1.025 151 A HN 0.718 nan 8.150 nan 0.000 0.490 152 P HA -0.257 nan 4.420 nan 0.000 0.216 152 P C 1.312 178.076 177.300 -0.894 0.000 1.154 152 P CA 1.943 64.215 63.100 -1.380 0.000 0.865 152 P CB -0.017 31.294 31.700 -0.649 0.000 0.789 153 E N -0.147 119.763 120.200 -0.483 0.000 2.160 153 E HA -0.197 4.155 4.350 0.002 0.000 0.195 153 E C 1.691 178.096 176.600 -0.325 0.000 0.991 153 E CA 1.634 57.838 56.400 -0.326 0.000 0.810 153 E CB -0.857 28.715 29.700 -0.213 0.000 0.742 153 E HN 0.186 nan 8.360 nan 0.000 0.466 154 A N 0.515 123.128 122.820 -0.346 0.000 2.095 154 A HA 0.034 4.356 4.320 0.002 0.000 0.212 154 A C 1.615 179.033 177.584 -0.277 0.000 1.162 154 A CA 0.532 52.405 52.037 -0.273 0.000 0.753 154 A CB -0.373 18.503 19.000 -0.208 0.000 0.840 154 A HN 0.549 nan 8.150 nan 0.000 0.468 155 Y N -1.731 118.366 120.300 -0.340 0.000 2.462 155 Y HA 0.567 5.119 4.550 0.002 0.000 0.253 155 Y C 0.249 175.801 175.900 -0.579 0.000 1.095 155 Y CA -1.181 56.650 58.100 -0.447 0.000 1.283 155 Y CB -0.565 37.655 38.460 -0.400 0.000 1.138 155 Y HN -0.012 nan 8.280 nan 0.000 0.522 156 L N 1.842 122.758 121.223 -0.511 0.000 2.380 156 L HA 0.169 4.511 4.340 0.002 0.000 0.273 156 L C -0.487 176.120 176.870 -0.438 0.000 1.138 156 L CA -0.389 54.177 54.840 -0.457 0.000 0.832 156 L CB 0.426 42.228 42.059 -0.429 0.000 1.124 156 L HN 0.150 nan 8.230 nan 0.000 0.454 157 Y N 0.215 120.447 120.300 -0.113 0.000 2.326 157 Y HA 0.205 4.757 4.550 0.002 0.000 0.324 157 Y C 1.337 177.204 175.900 -0.055 0.000 1.291 157 Y CA -0.390 57.664 58.100 -0.075 0.000 1.348 157 Y CB 0.874 39.295 38.460 -0.066 0.000 1.294 157 Y HN 0.624 nan 8.280 nan 0.000 0.525 158 G N 1.838 110.727 108.800 0.147 0.000 3.374 158 G HA2 0.230 4.192 3.960 0.002 0.000 0.252 158 G HA3 0.230 4.192 3.960 0.002 0.000 0.252 158 G C -0.106 174.839 174.900 0.074 0.000 1.326 158 G CA -0.143 45.007 45.100 0.082 0.000 1.133 158 G HN 0.315 nan 8.290 nan 0.000 0.528 159 L N -0.013 121.263 121.223 0.088 0.000 2.439 159 L HA 0.359 4.700 4.340 0.002 0.000 0.259 159 L C -1.750 175.236 176.870 0.194 0.000 1.129 159 L CA -2.076 52.790 54.840 0.042 0.000 0.803 159 L CB 0.745 42.749 42.059 -0.093 0.000 1.161 159 L HN -0.066 nan 8.230 nan 0.000 0.462 160 P HA -0.165 nan 4.420 nan 0.000 0.265 160 P C 0.170 177.726 177.300 0.427 0.000 1.187 160 P CA 0.080 63.401 63.100 0.367 0.000 0.766 160 P CB 0.355 32.303 31.700 0.413 0.000 0.820 161 W N 2.989 124.402 121.300 0.189 0.000 2.331 161 W HA -0.292 4.369 4.660 0.002 0.000 0.291 161 W C 1.844 178.481 176.519 0.198 0.000 1.214 161 W CA 2.390 59.858 57.345 0.205 0.000 1.228 161 W CB -0.393 29.154 29.460 0.144 0.000 1.135 161 W HN 0.519 nan 8.180 nan 0.000 0.537 162 E N 0.215 120.515 120.200 0.166 0.000 2.110 162 E HA -0.268 4.083 4.350 0.002 0.000 0.193 162 E C 1.542 178.035 176.600 -0.178 0.000 0.988 162 E CA 1.695 58.056 56.400 -0.064 0.000 0.804 162 E CB -1.574 28.039 29.700 -0.145 0.000 0.745 162 E HN 0.582 nan 8.360 nan 0.000 0.458 163 Y N -0.828 119.476 120.300 0.006 0.000 2.224 163 Y HA -0.047 4.504 4.550 0.002 0.000 0.289 163 Y C 2.268 178.167 175.900 -0.002 0.000 1.146 163 Y CA 1.631 59.735 58.100 0.007 0.000 1.182 163 Y CB -0.356 38.124 38.460 0.033 0.000 0.983 163 Y HN 0.428 nan 8.280 nan 0.000 0.524 164 F N 0.783 120.679 119.950 -0.089 0.000 2.074 164 F HA -0.166 4.362 4.527 0.002 0.000 0.293 164 F C 2.610 178.222 175.800 -0.314 0.000 1.116 164 F CA 1.467 59.319 58.000 -0.246 0.000 1.212 164 F CB -1.042 37.669 39.000 -0.481 0.000 0.998 164 F HN 0.005 nan 8.300 nan 0.000 0.471 165 S N -0.464 114.702 115.700 -0.891 0.000 2.383 165 S HA -0.146 4.325 4.470 0.002 0.000 0.227 165 S C 2.136 176.471 174.600 -0.441 0.000 1.026 165 S CA 1.234 58.919 58.200 -0.858 0.000 0.981 165 S CB -1.141 61.754 63.200 -0.508 0.000 0.818 165 S HN 0.573 nan 8.310 nan 0.000 0.472 166 S N 1.203 116.733 115.700 -0.284 0.000 2.441 166 S HA 0.293 4.764 4.470 0.002 0.000 0.224 166 S C 1.696 176.214 174.600 -0.136 0.000 1.043 166 S CA 0.068 58.163 58.200 -0.175 0.000 0.948 166 S CB -0.561 62.559 63.200 -0.132 0.000 0.810 166 S HN 0.496 nan 8.310 nan 0.000 0.504 167 L N 0.737 121.895 121.223 -0.109 0.000 2.590 167 L HA 0.407 4.748 4.340 0.002 0.000 0.227 167 L C 1.645 178.518 176.870 0.006 0.000 1.099 167 L CA 0.347 55.171 54.840 -0.027 0.000 0.872 167 L CB -0.227 41.857 42.059 0.041 0.000 1.088 167 L HN 0.592 nan 8.230 nan 0.000 0.479 168 G N 1.090 109.866 108.800 -0.040 0.000 2.176 168 G HA2 -0.244 3.718 3.960 0.002 0.000 0.252 168 G HA3 -0.244 3.718 3.960 0.002 0.000 0.252 168 G C 0.165 175.201 174.900 0.226 0.000 1.024 168 G CA 0.050 45.179 45.100 0.049 0.000 0.755 168 G HN 0.106 nan 8.290 nan 0.000 0.507 169 V N 1.335 121.388 119.914 0.232 0.000 2.415 169 V HA 0.610 4.732 4.120 0.002 0.000 0.267 169 V C 0.813 177.105 176.094 0.330 0.000 1.042 169 V CA 0.959 63.432 62.300 0.288 0.000 1.000 169 V CB 0.119 32.089 31.823 0.245 0.000 1.015 169 V HN 0.908 nan 8.190 nan 0.000 0.478 170 R N 3.412 124.051 120.500 0.231 0.000 2.741 170 R HA 0.533 4.874 4.340 0.002 0.000 0.276 170 R C -0.690 175.501 176.300 -0.181 0.000 1.028 170 R CA -1.162 54.918 56.100 -0.033 0.000 0.865 170 R CB 1.271 31.438 30.300 -0.222 0.000 1.268 170 R HN 0.432 nan 8.270 nan 0.000 0.475 171 R N 0.869 121.120 120.500 -0.414 0.000 2.442 171 R HA 0.119 4.461 4.340 0.002 0.000 0.291 171 R C -0.616 175.372 176.300 -0.520 0.000 1.069 171 R CA 0.302 56.210 56.100 -0.320 0.000 1.022 171 R CB 0.337 30.425 30.300 -0.353 0.000 0.976 171 R HN 0.754 nan 8.270 nan 0.000 0.443 172 Y N 2.827 123.033 120.300 -0.156 0.000 2.576 172 Y HA 0.268 4.819 4.550 0.002 0.000 0.282 172 Y C 1.144 176.754 175.900 -0.483 0.000 1.139 172 Y CA 0.753 58.656 58.100 -0.329 0.000 1.265 172 Y CB 0.429 38.628 38.460 -0.434 0.000 1.376 172 Y HN 0.961 nan 8.280 nan 0.000 0.511 173 G N 0.508 109.018 108.800 -0.483 0.000 2.716 173 G HA2 -0.171 3.790 3.960 0.002 0.000 0.686 173 G HA3 -0.171 3.790 3.960 0.002 0.000 0.686 173 G C -1.023 173.409 174.900 -0.780 0.000 1.337 173 G CA -0.595 44.176 45.100 -0.549 0.000 0.829 173 G HN 0.123 nan 8.290 nan 0.000 0.599 174 F N -1.444 118.551 119.950 0.074 0.000 2.922 174 F HA 0.687 5.215 4.527 0.002 0.000 0.345 174 F C 1.266 177.148 175.800 0.136 0.000 1.209 174 F CA 0.095 58.109 58.000 0.022 0.000 1.018 174 F CB 0.814 39.674 39.000 -0.234 0.000 1.472 174 F HN 0.814 nan 8.300 nan 0.000 0.521 175 H N -1.441 117.775 119.070 0.243 0.000 2.884 175 H HA -0.181 4.376 4.556 0.003 0.000 0.289 175 H C 1.477 176.840 175.328 0.057 0.000 1.142 175 H CA 0.184 56.197 56.048 -0.059 0.000 1.158 175 H CB -1.422 28.086 29.762 -0.424 0.000 1.325 175 H HN 0.807 nan 8.280 nan 0.000 0.366 176 G N -0.490 108.440 108.800 0.217 0.000 2.432 176 G HA2 -0.267 3.694 3.960 0.002 0.000 0.219 176 G HA3 -0.267 3.694 3.960 0.002 0.000 0.219 176 G C 1.611 176.487 174.900 -0.040 0.000 1.135 176 G CA 1.359 46.489 45.100 0.052 0.000 0.767 176 G HN 0.478 nan 8.290 nan 0.000 0.550 177 T N 0.380 114.916 114.554 -0.029 0.000 2.821 177 T HA -0.096 4.255 4.350 0.002 0.000 0.267 177 T C 2.648 177.296 174.700 -0.086 0.000 1.046 177 T CA 1.481 63.538 62.100 -0.071 0.000 1.139 177 T CB -0.217 68.623 68.868 -0.047 0.000 0.871 177 T HN 0.327 nan 8.240 nan 0.000 0.454 178 S N 0.327 115.972 115.700 -0.091 0.000 2.355 178 S HA -0.150 4.322 4.470 0.002 0.000 0.222 178 S C 1.864 176.416 174.600 -0.079 0.000 1.031 178 S CA 1.305 59.459 58.200 -0.077 0.000 0.993 178 S CB -0.382 62.732 63.200 -0.142 0.000 0.859 178 S HN 0.673 nan 8.310 nan 0.000 0.453 179 H N 0.268 119.324 119.070 -0.025 0.000 2.387 179 H HA 0.012 4.570 4.556 0.002 0.000 0.299 179 H C 2.455 177.552 175.328 -0.385 0.000 1.090 179 H CA 1.747 57.764 56.048 -0.052 0.000 1.332 179 H CB -0.036 29.833 29.762 0.178 0.000 1.386 179 H HN 0.296 nan 8.280 nan 0.000 0.516 180 R N -0.107 119.985 120.500 -0.680 0.000 2.062 180 R HA -0.197 4.145 4.340 0.002 0.000 0.231 180 R C 2.103 178.186 176.300 -0.360 0.000 1.136 180 R CA 1.584 57.080 56.100 -1.006 0.000 0.948 180 R CB -0.470 29.263 30.300 -0.946 0.000 0.845 180 R HN 0.371 nan 8.270 nan 0.000 0.430 181 Y N 0.627 120.759 120.300 -0.280 0.000 2.128 181 Y HA -0.230 4.322 4.550 0.002 0.000 0.284 181 Y C 1.948 177.762 175.900 -0.143 0.000 1.154 181 Y CA 1.943 59.945 58.100 -0.164 0.000 1.149 181 Y CB -0.369 38.019 38.460 -0.119 0.000 0.976 181 Y HN -0.099 nan 8.280 nan 0.000 0.505 182 V N 0.315 120.169 119.914 -0.100 0.000 2.427 182 V HA -0.281 3.840 4.120 0.002 0.000 0.248 182 V C 2.589 178.520 176.094 -0.271 0.000 1.051 182 V CA 1.963 64.165 62.300 -0.164 0.000 1.048 182 V CB -1.045 30.782 31.823 0.008 0.000 0.666 182 V HN 0.663 nan 8.190 nan 0.000 0.456 183 S N 0.522 116.073 115.700 -0.248 0.000 2.368 183 S HA -0.226 4.245 4.470 0.002 0.000 0.225 183 S C 2.082 176.253 174.600 -0.715 0.000 1.030 183 S CA 0.953 58.914 58.200 -0.398 0.000 0.999 183 S CB -0.427 62.689 63.200 -0.141 0.000 0.844 183 S HN 0.445 nan 8.310 nan 0.000 0.459 184 R N 1.585 121.854 120.500 -0.384 0.000 2.073 184 R HA 0.152 4.493 4.340 0.002 0.000 0.234 184 R C 2.457 178.593 176.300 -0.274 0.000 1.134 184 R CA 1.055 57.039 56.100 -0.193 0.000 0.952 184 R CB -0.905 29.316 30.300 -0.132 0.000 0.850 184 R HN 0.395 nan 8.270 nan 0.000 0.433 185 R N 0.735 120.986 120.500 -0.416 0.000 2.096 185 R HA 0.024 4.365 4.340 0.002 0.000 0.235 185 R C 2.099 178.249 176.300 -0.250 0.000 1.127 185 R CA 1.362 57.255 56.100 -0.346 0.000 0.968 185 R CB -0.883 29.143 30.300 -0.457 0.000 0.861 185 R HN 0.267 nan 8.270 nan 0.000 0.440 186 A N 0.217 122.829 122.820 -0.346 0.000 1.933 186 A HA -0.148 4.173 4.320 0.002 0.000 0.218 186 A C 1.986 179.449 177.584 -0.202 0.000 1.175 186 A CA 1.007 52.873 52.037 -0.286 0.000 0.628 186 A CB -0.697 18.091 19.000 -0.353 0.000 0.814 186 A HN 0.391 nan 8.150 nan 0.000 0.444 187 Y N 0.280 120.557 120.300 -0.039 0.000 2.224 187 Y HA -0.200 4.351 4.550 0.002 0.000 0.289 187 Y C 2.620 178.506 175.900 -0.023 0.000 1.146 187 Y CA 1.223 59.309 58.100 -0.023 0.000 1.182 187 Y CB -0.141 38.307 38.460 -0.020 0.000 0.983 187 Y HN 0.374 nan 8.280 nan 0.000 0.524 188 E N 0.029 120.277 120.200 0.081 0.000 2.028 188 E HA -0.186 4.165 4.350 0.002 0.000 0.190 188 E C 2.117 178.727 176.600 0.018 0.000 0.984 188 E CA 1.060 57.483 56.400 0.039 0.000 0.800 188 E CB -0.409 29.294 29.700 0.006 0.000 0.758 188 E HN 0.320 nan 8.360 nan 0.000 0.448 189 L N 0.825 122.041 121.223 -0.011 0.000 2.042 189 L HA -0.159 4.183 4.340 0.002 0.000 0.210 189 L C 1.922 178.797 176.870 0.009 0.000 1.076 189 L CA 1.497 56.333 54.840 -0.007 0.000 0.749 189 L CB -0.153 41.891 42.059 -0.024 0.000 0.893 189 L HN 0.037 nan 8.230 nan 0.000 0.432 190 L N -0.441 120.791 121.223 0.016 0.000 2.592 190 L HA 0.152 4.493 4.340 0.002 0.000 0.227 190 L C 0.341 177.239 176.870 0.047 0.000 1.127 190 L CA 0.379 55.237 54.840 0.030 0.000 0.884 190 L CB -0.896 41.181 42.059 0.030 0.000 1.065 190 L HN 0.303 nan 8.230 nan 0.000 0.457 191 D N 0.514 120.945 120.400 0.052 0.000 2.735 191 D HA -0.241 4.400 4.640 0.002 0.000 0.235 191 D C -0.502 175.836 176.300 0.063 0.000 1.175 191 D CA 0.666 54.697 54.000 0.052 0.000 0.683 191 D CB -0.763 40.058 40.800 0.035 0.000 1.008 191 D HN 0.151 nan 8.370 nan 0.000 0.416 192 L N 0.665 121.949 121.223 0.103 0.000 2.334 192 L HA 0.402 4.743 4.340 0.002 0.000 0.273 192 L C 0.542 177.444 176.870 0.053 0.000 1.013 192 L CA -1.137 53.767 54.840 0.107 0.000 0.816 192 L CB 1.492 43.676 42.059 0.209 0.000 1.278 192 L HN 0.016 nan 8.230 nan 0.000 0.431 193 D N 1.722 122.120 120.400 -0.004 0.000 2.338 193 D HA -0.029 4.613 4.640 0.002 0.000 0.255 193 D C 0.971 177.149 176.300 -0.202 0.000 1.237 193 D CA 0.247 54.202 54.000 -0.075 0.000 0.883 193 D CB 1.084 41.855 40.800 -0.048 0.000 1.087 193 D HN 0.606 nan 8.370 nan 0.000 0.485 194 E N 3.448 123.399 120.200 -0.416 0.000 2.086 194 E HA -0.266 4.085 4.350 0.002 0.000 0.200 194 E C 0.940 177.291 176.600 -0.414 0.000 1.012 194 E CA 1.180 57.072 56.400 -0.847 0.000 0.812 194 E CB 0.289 29.509 29.700 -0.800 0.000 0.743 194 E HN 0.294 nan 8.360 nan 0.000 0.453 195 K N 0.230 120.497 120.400 -0.223 0.000 2.486 195 K HA -0.060 4.262 4.320 0.002 0.000 0.194 195 K C 0.110 176.672 176.600 -0.063 0.000 1.033 195 K CA 0.557 56.775 56.287 -0.115 0.000 1.004 195 K CB 0.120 32.573 32.500 -0.078 0.000 0.798 195 K HN 0.112 nan 8.250 nan 0.000 0.495 196 D N 0.919 121.281 120.400 -0.062 0.000 2.443 196 D HA 0.105 4.746 4.640 0.002 0.000 0.281 196 D C -1.350 174.955 176.300 0.007 0.000 1.210 196 D CA -0.322 53.671 54.000 -0.011 0.000 0.875 196 D CB 0.302 41.098 40.800 -0.006 0.000 1.125 196 D HN 0.006 nan 8.370 nan 0.000 0.503 197 S N 0.282 115.998 115.700 0.026 0.000 2.537 197 S HA 0.817 5.289 4.470 0.002 0.000 0.271 197 S C -0.339 174.314 174.600 0.088 0.000 1.148 197 S CA -0.969 57.275 58.200 0.073 0.000 0.868 197 S CB 1.572 64.843 63.200 0.119 0.000 1.115 197 S HN 0.289 nan 8.310 nan 0.000 0.461 198 G N 1.346 110.200 108.800 0.089 0.000 2.702 198 G HA2 0.634 4.596 3.960 0.002 0.000 0.295 198 G HA3 0.634 4.596 3.960 0.002 0.000 0.295 198 G C -1.260 173.678 174.900 0.064 0.000 1.446 198 G CA -0.706 44.430 45.100 0.060 0.000 0.983 198 G HN 0.747 nan 8.290 nan 0.000 0.520 199 L N 2.712 123.975 121.223 0.067 0.000 2.354 199 L HA 0.600 4.941 4.340 0.002 0.000 0.269 199 L C -0.580 176.293 176.870 0.006 0.000 1.005 199 L CA -1.249 53.609 54.840 0.029 0.000 0.819 199 L CB 2.414 44.484 42.059 0.018 0.000 1.311 199 L HN 0.220 nan 8.230 nan 0.000 0.423 200 I N 2.660 123.210 120.570 -0.035 0.000 2.406 200 I HA 0.393 4.564 4.170 0.002 0.000 0.290 200 I C -0.213 175.847 176.117 -0.095 0.000 0.999 200 I CA -0.628 60.635 61.300 -0.063 0.000 1.124 200 I CB 1.893 39.837 38.000 -0.093 0.000 1.289 200 I HN 0.163 nan 8.210 nan 0.000 0.441 201 V N 5.229 125.117 119.914 -0.043 0.000 2.398 201 V HA 0.620 4.741 4.120 0.002 0.000 0.286 201 V C 0.461 176.570 176.094 0.024 0.000 1.026 201 V CA -0.703 61.608 62.300 0.019 0.000 0.868 201 V CB 1.623 33.593 31.823 0.245 0.000 0.982 201 V HN 0.860 nan 8.190 nan 0.000 0.443 202 A N 3.220 125.982 122.820 -0.096 0.000 2.412 202 A HA 0.477 4.799 4.320 0.002 0.000 0.334 202 A C -0.325 177.282 177.584 0.038 0.000 1.419 202 A CA -0.389 51.611 52.037 -0.062 0.000 0.930 202 A CB -0.405 18.446 19.000 -0.248 0.000 1.149 202 A HN 1.010 nan 8.150 nan 0.000 0.515 203 H N 3.136 122.212 119.070 0.009 0.000 3.004 203 H HA 0.497 5.054 4.556 0.002 0.000 0.267 203 H C -0.880 174.385 175.328 -0.105 0.000 1.165 203 H CA -0.001 55.954 56.048 -0.154 0.000 1.450 203 H CB 0.031 29.509 29.762 -0.474 0.000 1.488 203 H HN 0.526 nan 8.280 nan 0.000 0.478 204 L N 5.970 127.088 121.223 -0.175 0.000 2.324 204 L HA 0.506 4.848 4.340 0.002 0.000 0.274 204 L C 0.688 177.528 176.870 -0.050 0.000 1.012 204 L CA -0.381 54.475 54.840 0.027 0.000 0.859 204 L CB 1.335 43.488 42.059 0.157 0.000 1.224 204 L HN 0.764 nan 8.230 nan 0.000 0.429 205 G N 1.094 109.908 108.800 0.022 0.000 3.183 205 G HA2 0.184 4.146 3.960 0.002 0.000 0.247 205 G HA3 0.184 4.146 3.960 0.002 0.000 0.247 205 G C 0.298 175.256 174.900 0.098 0.000 1.211 205 G CA -0.305 44.806 45.100 0.018 0.000 0.835 205 G HN 0.369 nan 8.290 nan 0.000 0.604 206 N N 0.169 118.924 118.700 0.090 0.000 2.188 206 N HA -0.014 4.727 4.740 0.002 0.000 0.184 206 N C 1.214 176.808 175.510 0.140 0.000 1.018 206 N CA 1.125 54.227 53.050 0.087 0.000 0.858 206 N CB -0.178 38.349 38.487 0.067 0.000 0.989 206 N HN 0.497 nan 8.380 nan 0.000 0.426 207 G N -0.791 108.134 108.800 0.208 0.000 2.389 207 G HA2 0.637 4.598 3.960 0.002 0.000 0.317 207 G HA3 0.637 4.598 3.960 0.002 0.000 0.317 207 G C -1.156 173.976 174.900 0.387 0.000 1.137 207 G CA -0.193 45.086 45.100 0.298 0.000 0.870 207 G HN 0.246 nan 8.290 nan 0.000 0.496 208 A N 0.862 123.929 122.820 0.411 0.000 2.427 208 A HA 0.868 5.189 4.320 0.002 0.000 0.298 208 A C -0.188 177.600 177.584 0.340 0.000 1.036 208 A CA -0.125 52.119 52.037 0.345 0.000 0.701 208 A CB 1.668 20.842 19.000 0.289 0.000 1.250 208 A HN 1.980 nan 8.150 nan 0.000 0.412 209 S N 1.765 117.669 115.700 0.340 0.000 2.550 209 S HA 0.797 5.269 4.470 0.002 0.000 0.270 209 S C -1.049 173.675 174.600 0.207 0.000 1.145 209 S CA -0.712 57.655 58.200 0.278 0.000 0.852 209 S CB 1.100 64.576 63.200 0.459 0.000 1.119 209 S HN 0.629 nan 8.310 nan 0.000 0.465 210 I N 1.129 121.652 120.570 -0.079 0.000 2.607 210 I HA 0.647 4.819 4.170 0.002 0.000 0.305 210 I C -0.123 175.753 176.117 -0.401 0.000 0.995 210 I CA -0.885 60.246 61.300 -0.281 0.000 1.148 210 I CB 1.389 38.981 38.000 -0.680 0.000 1.323 210 I HN 1.008 nan 8.210 nan 0.000 0.461 211 C N 4.528 123.597 119.300 -0.385 0.000 2.608 211 C HA 0.815 5.277 4.460 0.002 0.000 0.325 211 C C -0.080 174.860 174.990 -0.084 0.000 1.147 211 C CA -0.327 58.502 59.018 -0.315 0.000 1.359 211 C CB 0.636 27.959 27.740 -0.694 0.000 1.912 211 C HN 0.926 nan 8.230 nan 0.000 0.466 212 A N 4.924 127.772 122.820 0.045 0.000 2.289 212 A HA 0.701 5.022 4.320 0.002 0.000 0.298 212 A C -0.673 176.926 177.584 0.024 0.000 1.208 212 A CA -0.263 51.799 52.037 0.042 0.000 0.845 212 A CB 0.576 19.604 19.000 0.047 0.000 1.125 212 A HN 1.100 nan 8.150 nan 0.000 0.517 213 V N 3.844 123.791 119.914 0.054 0.000 2.350 213 V HA 0.440 4.561 4.120 0.002 0.000 0.285 213 V C 0.234 176.376 176.094 0.079 0.000 1.014 213 V CA -0.513 61.846 62.300 0.099 0.000 0.831 213 V CB 1.045 33.008 31.823 0.233 0.000 1.000 213 V HN 0.927 nan 8.190 nan 0.000 0.433 214 R N 4.383 124.894 120.500 0.018 0.000 2.295 214 R HA 0.377 4.718 4.340 0.002 0.000 0.324 214 R C 0.158 176.466 176.300 0.014 0.000 0.968 214 R CA -0.379 55.713 56.100 -0.012 0.000 0.837 214 R CB 0.454 30.688 30.300 -0.110 0.000 1.133 214 R HN 0.784 nan 8.270 nan 0.000 0.450 215 N N 3.196 121.913 118.700 0.028 0.000 2.721 215 N HA -0.221 4.520 4.740 0.002 0.000 0.249 215 N C 0.588 176.087 175.510 -0.017 0.000 1.072 215 N CA 1.587 54.631 53.050 -0.010 0.000 0.710 215 N CB -1.179 37.308 38.487 -0.000 0.000 0.993 215 N HN 1.079 nan 8.380 nan 0.000 0.547 216 G N -1.494 107.343 108.800 0.061 0.000 2.199 216 G HA2 -0.327 3.635 3.960 0.002 0.000 0.254 216 G HA3 -0.327 3.635 3.960 0.002 0.000 0.254 216 G C -0.174 174.840 174.900 0.190 0.000 0.982 216 G CA 0.544 45.737 45.100 0.156 0.000 0.632 216 G HN 0.539 nan 8.290 nan 0.000 0.529 217 Q N 0.446 120.277 119.800 0.052 0.000 2.312 217 Q HA 0.591 4.933 4.340 0.002 0.000 0.263 217 Q C -0.067 175.799 176.000 -0.224 0.000 0.995 217 Q CA -0.270 55.465 55.803 -0.114 0.000 0.853 217 Q CB 1.959 30.637 28.738 -0.099 0.000 1.300 217 Q HN 0.213 nan 8.270 nan 0.000 0.448 218 S N 1.080 116.417 115.700 -0.604 0.000 2.515 218 S HA 0.086 4.557 4.470 0.002 0.000 0.285 218 S C 0.713 175.183 174.600 -0.216 0.000 1.265 218 S CA -0.312 57.626 58.200 -0.436 0.000 1.079 218 S CB 0.149 62.983 63.200 -0.611 0.000 0.877 218 S HN 0.543 nan 8.310 nan 0.000 0.493 219 V N 1.099 120.937 119.914 -0.128 0.000 3.604 219 V HA 0.521 4.642 4.120 0.002 0.000 0.277 219 V C 0.114 176.137 176.094 -0.119 0.000 1.399 219 V CA 0.011 62.242 62.300 -0.116 0.000 1.034 219 V CB 0.183 31.935 31.823 -0.119 0.000 0.824 219 V HN 0.686 nan 8.190 nan 0.000 0.439 220 D N -0.988 119.354 120.400 -0.096 0.000 2.717 220 D HA 0.630 5.272 4.640 0.002 0.000 0.223 220 D C -1.142 175.144 176.300 -0.024 0.000 1.240 220 D CA 0.215 54.135 54.000 -0.133 0.000 0.801 220 D CB 2.594 43.232 40.800 -0.269 0.000 1.556 220 D HN 0.133 nan 8.370 nan 0.000 0.462 221 T N -0.394 114.119 114.554 -0.068 0.000 2.853 221 T HA 0.441 4.792 4.350 0.002 0.000 0.311 221 T C 0.621 175.379 174.700 0.097 0.000 1.307 221 T CA 0.141 62.211 62.100 -0.049 0.000 1.019 221 T CB 1.193 69.712 68.868 -0.582 0.000 1.264 221 T HN 0.290 nan 8.240 nan 0.000 0.497 222 S N 2.014 117.732 115.700 0.030 0.000 2.483 222 S HA 0.326 4.798 4.470 0.002 0.000 0.221 222 S C 0.991 175.558 174.600 -0.055 0.000 1.030 222 S CA -0.208 57.951 58.200 -0.068 0.000 0.925 222 S CB -0.292 62.670 63.200 -0.396 0.000 0.795 222 S HN 0.643 nan 8.310 nan 0.000 0.511 223 M N 1.658 121.261 119.600 0.005 0.000 2.198 223 M HA 0.436 4.918 4.480 0.002 0.000 0.315 223 M C 1.195 177.568 176.300 0.121 0.000 1.134 223 M CA 0.213 55.583 55.300 0.116 0.000 1.171 223 M CB 0.586 33.342 32.600 0.258 0.000 1.413 223 M HN 0.421 nan 8.290 nan 0.000 0.467 224 G N -0.068 108.880 108.800 0.246 0.000 3.134 224 G HA2 0.264 4.225 3.960 0.002 0.000 0.158 224 G HA3 0.264 4.225 3.960 0.002 0.000 0.158 224 G C 0.543 175.669 174.900 0.376 0.000 1.334 224 G CA -0.479 44.803 45.100 0.304 0.000 1.001 224 G HN 0.763 nan 8.290 nan 0.000 0.600 225 M N 0.448 120.333 119.600 0.475 0.000 2.202 225 M HA 0.033 4.515 4.480 0.002 0.000 0.262 225 M C 1.214 177.902 176.300 0.646 0.000 1.063 225 M CA 1.727 57.381 55.300 0.590 0.000 1.097 225 M CB -0.206 32.665 32.600 0.452 0.000 1.382 225 M HN 0.567 nan 8.290 nan 0.000 0.413 226 T N -3.934 110.901 114.554 0.470 0.000 2.926 226 T HA 0.453 4.805 4.350 0.002 0.000 0.289 226 T C -2.507 172.324 174.700 0.218 0.000 1.054 226 T CA -1.744 60.535 62.100 0.299 0.000 1.015 226 T CB 1.256 70.199 68.868 0.124 0.000 1.167 226 T HN -0.123 nan 8.240 nan 0.000 0.526 227 P HA 0.190 nan 4.420 nan 0.000 0.239 227 P C 1.148 178.448 177.300 0.000 0.000 1.184 227 P CA 0.344 63.349 63.100 -0.158 0.000 0.760 227 P CB -0.099 31.358 31.700 -0.405 0.000 0.884 228 L N -1.157 120.090 121.223 0.040 0.000 2.478 228 L HA 0.022 4.363 4.340 0.002 0.000 0.223 228 L C 1.332 178.260 176.870 0.096 0.000 1.140 228 L CA 0.464 55.343 54.840 0.066 0.000 0.842 228 L CB -0.164 41.934 42.059 0.064 0.000 0.953 228 L HN 0.059 nan 8.230 nan 0.000 0.452 229 E N -0.956 119.315 120.200 0.119 0.000 2.319 229 E HA 0.416 4.767 4.350 0.002 0.000 0.268 229 E C 0.575 177.230 176.600 0.092 0.000 1.050 229 E CA 0.518 56.994 56.400 0.127 0.000 0.878 229 E CB 0.949 30.749 29.700 0.167 0.000 1.066 229 E HN 0.145 nan 8.360 nan 0.000 0.406 230 G N 2.481 111.334 108.800 0.087 0.000 2.826 230 G HA2 -0.243 3.718 3.960 0.002 0.000 0.233 230 G HA3 -0.243 3.718 3.960 0.002 0.000 0.233 230 G C -0.490 174.451 174.900 0.068 0.000 1.296 230 G CA -0.283 44.790 45.100 -0.046 0.000 1.001 230 G HN 0.544 nan 8.290 nan 0.000 0.576 231 L N 1.501 122.728 121.223 0.007 0.000 2.461 231 L HA 0.378 4.720 4.340 0.002 0.000 0.272 231 L C 1.484 178.448 176.870 0.156 0.000 1.197 231 L CA -0.147 54.753 54.840 0.100 0.000 0.836 231 L CB 0.781 42.868 42.059 0.047 0.000 1.105 231 L HN 0.720 nan 8.230 nan 0.000 0.477 232 M N 3.205 122.919 119.600 0.190 0.000 2.245 232 M HA 0.243 4.724 4.480 0.002 0.000 0.344 232 M C -0.354 176.168 176.300 0.371 0.000 1.170 232 M CA 0.821 56.269 55.300 0.246 0.000 1.135 232 M CB 0.641 33.399 32.600 0.263 0.000 1.574 232 M HN 0.595 nan 8.290 nan 0.000 0.452 233 M N 1.992 121.759 119.600 0.278 0.000 2.828 233 M HA 0.438 4.919 4.480 0.002 0.000 0.284 233 M C 1.195 177.551 176.300 0.093 0.000 1.166 233 M CA -0.557 54.895 55.300 0.254 0.000 0.770 233 M CB 0.256 32.977 32.600 0.202 0.000 1.741 233 M HN 0.733 nan 8.290 nan 0.000 0.443 234 G N -0.058 108.767 108.800 0.043 0.000 2.433 234 G HA2 -0.152 3.810 3.960 0.002 0.000 0.216 234 G HA3 -0.152 3.810 3.960 0.002 0.000 0.216 234 G C 1.257 176.159 174.900 0.003 0.000 1.186 234 G CA 1.909 46.995 45.100 -0.022 0.000 0.779 234 G HN 0.768 nan 8.290 nan 0.000 0.543 235 T N -2.984 111.590 114.554 0.033 0.000 3.043 235 T HA 0.389 4.740 4.350 0.002 0.000 0.272 235 T C 0.842 175.574 174.700 0.053 0.000 0.990 235 T CA -0.477 61.646 62.100 0.037 0.000 0.897 235 T CB 0.431 69.319 68.868 0.033 0.000 1.111 235 T HN 0.116 nan 8.240 nan 0.000 0.529 236 R N 1.767 122.309 120.500 0.070 0.000 2.407 236 R HA 0.472 4.814 4.340 0.002 0.000 0.303 236 R C 1.479 177.836 176.300 0.096 0.000 0.981 236 R CA 0.244 56.391 56.100 0.078 0.000 0.905 236 R CB 1.467 31.815 30.300 0.080 0.000 1.099 236 R HN 0.356 nan 8.270 nan 0.000 0.459 237 S N 1.681 117.434 115.700 0.089 0.000 2.382 237 S HA -0.073 4.398 4.470 0.002 0.000 0.228 237 S C 1.244 175.914 174.600 0.117 0.000 1.027 237 S CA 0.514 58.772 58.200 0.096 0.000 0.991 237 S CB -0.442 62.809 63.200 0.084 0.000 0.823 237 S HN 1.012 nan 8.310 nan 0.000 0.469 238 G N 1.720 110.592 108.800 0.119 0.000 2.598 238 G HA2 -0.202 3.759 3.960 0.002 0.000 0.244 238 G HA3 -0.202 3.759 3.960 0.002 0.000 0.244 238 G C -1.089 173.889 174.900 0.130 0.000 1.302 238 G CA -0.203 44.976 45.100 0.131 0.000 0.903 238 G HN 0.474 nan 8.290 nan 0.000 0.575 239 D N -0.002 120.490 120.400 0.154 0.000 2.586 239 D HA 0.319 4.960 4.640 0.002 0.000 0.234 239 D C 0.278 176.649 176.300 0.119 0.000 1.132 239 D CA 1.183 55.273 54.000 0.151 0.000 0.860 239 D CB 1.369 42.278 40.800 0.182 0.000 1.159 239 D HN 0.971 nan 8.370 nan 0.000 0.490 240 V N 3.066 123.046 119.914 0.111 0.000 2.668 240 V HA 0.074 4.196 4.120 0.002 0.000 0.304 240 V C -0.887 175.269 176.094 0.104 0.000 1.071 240 V CA -1.011 61.346 62.300 0.094 0.000 0.894 240 V CB 2.223 34.097 31.823 0.085 0.000 1.008 240 V HN 0.440 nan 8.190 nan 0.000 0.425 241 D N 4.475 124.922 120.400 0.080 0.000 2.570 241 D HA -0.112 4.530 4.640 0.002 0.000 0.243 241 D C 0.709 177.075 176.300 0.109 0.000 1.171 241 D CA 0.515 54.566 54.000 0.085 0.000 0.879 241 D CB 0.510 41.330 40.800 0.034 0.000 1.143 241 D HN 0.548 nan 8.370 nan 0.000 0.511 242 F N 3.695 123.657 119.950 0.020 0.000 2.216 242 F HA 0.022 4.551 4.527 0.002 0.000 0.300 242 F C 2.110 177.934 175.800 0.041 0.000 1.085 242 F CA 1.719 59.731 58.000 0.020 0.000 1.326 242 F CB -0.124 38.874 39.000 -0.003 0.000 1.027 242 F HN 0.478 nan 8.300 nan 0.000 0.497 243 G N -0.264 108.563 108.800 0.045 0.000 2.422 243 G HA2 -0.227 3.734 3.960 0.002 0.000 0.218 243 G HA3 -0.227 3.734 3.960 0.002 0.000 0.218 243 G C 1.850 176.737 174.900 -0.021 0.000 1.146 243 G CA 0.736 45.835 45.100 -0.002 0.000 0.769 243 G HN 0.559 nan 8.290 nan 0.000 0.547 244 A N 0.613 123.417 122.820 -0.027 0.000 1.902 244 A HA 0.027 4.348 4.320 0.002 0.000 0.217 244 A C 2.438 180.045 177.584 0.038 0.000 1.181 244 A CA 1.988 54.022 52.037 -0.005 0.000 0.623 244 A CB -0.321 18.660 19.000 -0.032 0.000 0.818 244 A HN 0.283 nan 8.150 nan 0.000 0.443 245 M N -0.243 119.305 119.600 -0.087 0.000 2.117 245 M HA -0.078 4.404 4.480 0.002 0.000 0.262 245 M C 2.481 178.665 176.300 -0.192 0.000 1.065 245 M CA 1.569 56.788 55.300 -0.136 0.000 1.114 245 M CB -1.686 30.786 32.600 -0.212 0.000 1.361 245 M HN 0.474 nan 8.290 nan 0.000 0.408 246 A N -1.284 121.322 122.820 -0.356 0.000 1.930 246 A HA -0.208 4.114 4.320 0.002 0.000 0.217 246 A C 2.107 179.663 177.584 -0.047 0.000 1.175 246 A CA 1.296 53.178 52.037 -0.259 0.000 0.627 246 A CB -1.212 17.596 19.000 -0.321 0.000 0.815 246 A HN 0.677 nan 8.150 nan 0.000 0.443 247 W N 0.615 121.828 121.300 -0.145 0.000 2.358 247 W HA -0.155 4.507 4.660 0.003 0.000 0.303 247 W C 1.756 178.233 176.519 -0.069 0.000 1.208 247 W CA 1.912 59.207 57.345 -0.083 0.000 1.274 247 W CB -0.172 29.250 29.460 -0.064 0.000 1.138 247 W HN 0.293 nan 8.180 nan 0.000 0.515 248 I N 0.750 121.474 120.570 0.256 0.000 2.163 248 I HA -0.356 3.816 4.170 0.002 0.000 0.243 248 I C 2.658 178.724 176.117 -0.086 0.000 1.085 248 I CA 1.545 62.904 61.300 0.098 0.000 1.347 248 I CB -1.149 36.938 38.000 0.146 0.000 1.044 248 I HN 0.107 nan 8.210 nan 0.000 0.408 249 A N 1.071 123.845 122.820 -0.077 0.000 1.892 249 A HA -0.280 4.041 4.320 0.002 0.000 0.218 249 A C 2.292 179.796 177.584 -0.133 0.000 1.188 249 A CA 2.104 54.087 52.037 -0.090 0.000 0.631 249 A CB -0.570 18.383 19.000 -0.079 0.000 0.822 249 A HN 0.367 nan 8.150 nan 0.000 0.447 250 K N -0.960 119.328 120.400 -0.186 0.000 2.148 250 K HA -0.133 4.188 4.320 0.002 0.000 0.204 250 K C 2.079 178.506 176.600 -0.288 0.000 1.050 250 K CA 1.483 57.639 56.287 -0.218 0.000 0.942 250 K CB -0.052 32.304 32.500 -0.240 0.000 0.724 250 K HN 0.495 nan 8.250 nan 0.000 0.446 251 E N 0.057 120.001 120.200 -0.427 0.000 2.112 251 E HA -0.085 4.267 4.350 0.002 0.000 0.190 251 E C 1.679 178.129 176.600 -0.250 0.000 0.979 251 E CA 1.479 57.600 56.400 -0.465 0.000 0.814 251 E CB 0.201 29.400 29.700 -0.835 0.000 0.762 251 E HN 0.361 nan 8.360 nan 0.000 0.460 252 T N -4.300 110.146 114.554 -0.180 0.000 3.023 252 T HA 0.295 4.646 4.350 0.002 0.000 0.253 252 T C 1.451 176.106 174.700 -0.074 0.000 1.038 252 T CA 0.407 62.448 62.100 -0.098 0.000 0.962 252 T CB 0.472 69.305 68.868 -0.058 0.000 1.018 252 T HN 0.246 nan 8.240 nan 0.000 0.521 253 G N 1.515 110.264 108.800 -0.085 0.000 2.153 253 G HA2 -0.257 3.705 3.960 0.002 0.000 0.252 253 G HA3 -0.257 3.705 3.960 0.002 0.000 0.252 253 G C -0.197 174.679 174.900 -0.040 0.000 0.994 253 G CA 0.215 45.279 45.100 -0.061 0.000 0.698 253 G HN 0.698 nan 8.290 nan 0.000 0.521 254 Q N 0.358 120.135 119.800 -0.038 0.000 2.306 254 Q HA 0.566 4.908 4.340 0.002 0.000 0.241 254 Q C 1.010 177.000 176.000 -0.016 0.000 0.948 254 Q CA 0.273 56.065 55.803 -0.020 0.000 0.886 254 Q CB 0.981 29.712 28.738 -0.012 0.000 1.227 254 Q HN 0.522 nan 8.270 nan 0.000 0.457 255 T N -2.152 112.401 114.554 -0.003 0.000 2.897 255 T HA 0.316 4.667 4.350 0.002 0.000 0.278 255 T C 1.138 175.847 174.700 0.016 0.000 0.981 255 T CA -0.762 61.341 62.100 0.006 0.000 0.973 255 T CB 0.471 69.347 68.868 0.013 0.000 1.092 255 T HN 0.559 nan 8.240 nan 0.000 0.543 256 L N 0.431 121.672 121.223 0.029 0.000 2.042 256 L HA -0.113 4.229 4.340 0.002 0.000 0.210 256 L C 3.100 179.997 176.870 0.046 0.000 1.076 256 L CA 1.463 56.331 54.840 0.047 0.000 0.749 256 L CB -0.647 41.454 42.059 0.071 0.000 0.893 256 L HN 0.772 nan 8.230 nan 0.000 0.432 257 S N -0.480 115.244 115.700 0.040 0.000 2.402 257 S HA -0.167 4.304 4.470 0.002 0.000 0.229 257 S C 1.410 176.030 174.600 0.033 0.000 1.021 257 S CA 1.282 59.504 58.200 0.038 0.000 0.974 257 S CB -0.269 62.952 63.200 0.034 0.000 0.800 257 S HN 0.462 nan 8.310 nan 0.000 0.484 258 D N 1.731 122.146 120.400 0.026 0.000 2.097 258 D HA -0.012 4.629 4.640 0.002 0.000 0.197 258 D C 1.820 178.136 176.300 0.026 0.000 0.984 258 D CA 0.821 54.835 54.000 0.022 0.000 0.826 258 D CB -0.402 40.406 40.800 0.014 0.000 0.973 258 D HN 0.308 nan 8.370 nan 0.000 0.460 259 L N 0.413 121.652 121.223 0.027 0.000 2.156 259 L HA -0.090 4.251 4.340 0.002 0.000 0.208 259 L C 2.356 179.252 176.870 0.043 0.000 1.095 259 L CA 0.708 55.566 54.840 0.031 0.000 0.770 259 L CB -0.286 41.786 42.059 0.023 0.000 0.914 259 L HN -0.020 nan 8.230 nan 0.000 0.439 260 E N 0.852 121.081 120.200 0.047 0.000 2.058 260 E HA -0.280 4.071 4.350 0.002 0.000 0.194 260 E C 2.363 178.992 176.600 0.048 0.000 0.997 260 E CA 1.395 57.827 56.400 0.053 0.000 0.801 260 E CB -0.153 29.579 29.700 0.055 0.000 0.746 260 E HN 0.169 nan 8.360 nan 0.000 0.450 261 R N 0.422 120.947 120.500 0.042 0.000 2.066 261 R HA -0.086 4.256 4.340 0.002 0.000 0.232 261 R C 2.209 178.533 176.300 0.039 0.000 1.131 261 R CA 1.582 57.706 56.100 0.039 0.000 0.955 261 R CB -0.607 29.713 30.300 0.034 0.000 0.851 261 R HN 0.279 nan 8.270 nan 0.000 0.432 262 V N 0.850 120.787 119.914 0.037 0.000 2.282 262 V HA -0.236 3.885 4.120 0.002 0.000 0.249 262 V C 2.557 178.677 176.094 0.044 0.000 1.057 262 V CA 1.819 64.141 62.300 0.038 0.000 1.032 262 V CB -0.418 31.426 31.823 0.036 0.000 0.645 262 V HN 0.155 nan 8.190 nan 0.000 0.447 263 V N 0.286 120.229 119.914 0.048 0.000 2.667 263 V HA -0.169 3.952 4.120 0.002 0.000 0.252 263 V C 2.181 178.308 176.094 0.056 0.000 1.065 263 V CA 2.176 64.509 62.300 0.056 0.000 1.083 263 V CB -0.763 31.097 31.823 0.062 0.000 0.692 263 V HN 0.608 nan 8.190 nan 0.000 0.468 264 N N -0.440 118.290 118.700 0.051 0.000 2.387 264 N HA -0.015 4.726 4.740 0.002 0.000 0.176 264 N C 1.656 177.194 175.510 0.047 0.000 1.022 264 N CA 0.881 53.960 53.050 0.049 0.000 0.883 264 N CB 0.229 38.745 38.487 0.049 0.000 1.019 264 N HN 0.162 nan 8.380 nan 0.000 0.435 265 K N -0.198 120.228 120.400 0.043 0.000 2.425 265 K HA 0.261 4.582 4.320 0.002 0.000 0.201 265 K C 0.121 176.741 176.600 0.035 0.000 1.128 265 K CA 0.338 56.648 56.287 0.039 0.000 1.000 265 K CB 1.042 33.564 32.500 0.037 0.000 0.961 265 K HN 0.263 nan 8.250 nan 0.000 0.555 266 E N 0.195 120.416 120.200 0.036 0.000 2.630 266 E HA 0.175 4.527 4.350 0.002 0.000 0.218 266 E C -0.057 176.564 176.600 0.035 0.000 0.977 266 E CA -0.131 56.288 56.400 0.032 0.000 1.038 266 E CB 1.156 30.875 29.700 0.031 0.000 1.051 266 E HN -0.080 nan 8.360 nan 0.000 0.487 267 S N -0.482 115.242 115.700 0.041 0.000 2.667 267 S HA 0.705 5.177 4.470 0.002 0.000 0.292 267 S C 0.711 175.340 174.600 0.048 0.000 1.108 267 S CA -0.136 58.093 58.200 0.047 0.000 0.992 267 S CB 1.059 64.293 63.200 0.056 0.000 1.269 267 S HN 0.393 nan 8.310 nan 0.000 0.528 268 G N 0.507 109.345 108.800 0.063 0.000 2.547 268 G HA2 -0.251 3.711 3.960 0.002 0.000 0.271 268 G HA3 -0.251 3.711 3.960 0.002 0.000 0.271 268 G C 0.626 175.550 174.900 0.041 0.000 1.209 268 G CA 0.345 45.489 45.100 0.072 0.000 0.959 268 G HN 0.584 nan 8.290 nan 0.000 0.563 269 L N -0.456 120.766 121.223 -0.000 0.000 2.042 269 L HA -0.093 4.248 4.340 0.002 0.000 0.210 269 L C 3.005 179.859 176.870 -0.026 0.000 1.076 269 L CA 1.866 56.675 54.840 -0.052 0.000 0.749 269 L CB -0.650 41.310 42.059 -0.164 0.000 0.893 269 L HN 0.536 nan 8.230 nan 0.000 0.432 270 L N 0.331 121.544 121.223 -0.016 0.000 1.989 270 L HA -0.123 4.218 4.340 0.002 0.000 0.211 270 L C 2.387 179.264 176.870 0.012 0.000 1.071 270 L CA 2.341 57.179 54.840 -0.004 0.000 0.749 270 L CB -1.236 40.825 42.059 0.003 0.000 0.890 270 L HN 0.154 nan 8.230 nan 0.000 0.431 271 G N -0.482 108.331 108.800 0.022 0.000 2.421 271 G HA2 -0.236 3.725 3.960 0.002 0.000 0.216 271 G HA3 -0.236 3.725 3.960 0.002 0.000 0.216 271 G C 1.646 176.566 174.900 0.032 0.000 1.171 271 G CA 1.199 46.317 45.100 0.030 0.000 0.775 271 G HN 0.480 nan 8.290 nan 0.000 0.543 272 I N 1.488 122.077 120.570 0.032 0.000 2.233 272 I HA -0.153 4.018 4.170 0.002 0.000 0.243 272 I C 3.184 179.326 176.117 0.041 0.000 1.093 272 I CA 1.489 62.808 61.300 0.032 0.000 1.380 272 I CB -0.205 37.813 38.000 0.030 0.000 1.067 272 I HN 0.357 nan 8.210 nan 0.000 0.413 273 S N 0.635 116.360 115.700 0.041 0.000 2.406 273 S HA -0.026 4.445 4.470 0.002 0.000 0.228 273 S C 1.891 176.551 174.600 0.101 0.000 1.020 273 S CA 0.759 59.005 58.200 0.077 0.000 0.965 273 S CB -0.424 62.788 63.200 0.019 0.000 0.798 273 S HN 0.602 nan 8.310 nan 0.000 0.488 274 G N 0.744 109.576 108.800 0.053 0.000 2.168 274 G HA2 -0.236 3.725 3.960 0.002 0.000 0.257 274 G HA3 -0.236 3.725 3.960 0.002 0.000 0.257 274 G C 0.396 175.311 174.900 0.024 0.000 0.997 274 G CA 0.819 45.947 45.100 0.048 0.000 0.708 274 G HN 0.547 nan 8.290 nan 0.000 0.520 275 L N -1.599 119.616 121.223 -0.013 0.000 2.666 275 L HA 0.586 4.927 4.340 0.002 0.000 0.184 275 L C 1.107 177.949 176.870 -0.046 0.000 1.092 275 L CA 0.967 55.771 54.840 -0.060 0.000 0.857 275 L CB 0.836 42.796 42.059 -0.166 0.000 1.281 275 L HN 0.360 nan 8.230 nan 0.000 0.489 276 S N -1.869 113.803 115.700 -0.046 0.000 2.552 276 S HA 0.167 4.639 4.470 0.002 0.000 0.272 276 S C 0.366 174.940 174.600 -0.043 0.000 1.150 276 S CA 0.032 58.208 58.200 -0.040 0.000 0.849 276 S CB 1.467 64.639 63.200 -0.047 0.000 1.113 276 S HN 0.230 nan 8.310 nan 0.000 0.458 277 S N 1.209 116.887 115.700 -0.037 0.000 2.527 277 S HA 0.098 4.570 4.470 0.002 0.000 0.222 277 S C 0.383 174.939 174.600 -0.072 0.000 0.985 277 S CA 0.236 58.406 58.200 -0.049 0.000 0.921 277 S CB -0.277 62.908 63.200 -0.024 0.000 0.772 277 S HN 0.716 nan 8.310 nan 0.000 0.529 278 D N 1.237 121.602 120.400 -0.058 0.000 2.317 278 D HA 0.111 4.753 4.640 0.002 0.000 0.252 278 D C 0.838 177.095 176.300 -0.072 0.000 1.174 278 D CA -0.250 53.716 54.000 -0.057 0.000 0.866 278 D CB 1.244 42.022 40.800 -0.037 0.000 1.127 278 D HN 0.141 nan 8.370 nan 0.000 0.467 279 L N 5.855 127.024 121.223 -0.089 0.000 2.083 279 L HA -0.115 4.226 4.340 0.002 0.000 0.209 279 L C 2.324 179.176 176.870 -0.030 0.000 1.083 279 L CA 1.572 56.360 54.840 -0.086 0.000 0.752 279 L CB -0.254 41.744 42.059 -0.101 0.000 0.899 279 L HN 0.417 nan 8.230 nan 0.000 0.433 280 R N -1.464 119.020 120.500 -0.027 0.000 2.081 280 R HA -0.133 4.208 4.340 0.002 0.000 0.235 280 R C 2.137 178.429 176.300 -0.014 0.000 1.131 280 R CA 1.566 57.655 56.100 -0.018 0.000 0.960 280 R CB -0.688 29.597 30.300 -0.024 0.000 0.856 280 R HN 0.274 nan 8.270 nan 0.000 0.436 281 V N 1.586 121.487 119.914 -0.022 0.000 2.287 281 V HA -0.255 3.867 4.120 0.002 0.000 0.248 281 V C 2.280 178.366 176.094 -0.014 0.000 1.053 281 V CA 1.806 64.091 62.300 -0.025 0.000 1.027 281 V CB -0.449 31.351 31.823 -0.038 0.000 0.646 281 V HN 0.291 nan 8.190 nan 0.000 0.447 282 L N -0.629 120.588 121.223 -0.009 0.000 2.109 282 L HA -0.133 4.208 4.340 0.002 0.000 0.207 282 L C 2.581 179.528 176.870 0.128 0.000 1.086 282 L CA 1.411 56.266 54.840 0.024 0.000 0.760 282 L CB -0.687 41.372 42.059 0.000 0.000 0.910 282 L HN 0.375 nan 8.230 nan 0.000 0.437 283 E N 0.743 121.014 120.200 0.118 0.000 2.085 283 E HA -0.270 4.082 4.350 0.002 0.000 0.194 283 E C 2.547 179.229 176.600 0.136 0.000 0.994 283 E CA 1.849 58.345 56.400 0.160 0.000 0.801 283 E CB -0.111 29.632 29.700 0.071 0.000 0.743 283 E HN 0.527 nan 8.360 nan 0.000 0.453 284 K N 0.982 121.424 120.400 0.071 0.000 2.057 284 K HA 0.048 4.369 4.320 0.002 0.000 0.206 284 K C 2.148 178.832 176.600 0.140 0.000 1.050 284 K CA 1.284 57.608 56.287 0.063 0.000 0.935 284 K CB -1.003 31.500 32.500 0.005 0.000 0.715 284 K HN 0.206 nan 8.250 nan 0.000 0.439 285 A N 0.001 122.890 122.820 0.114 0.000 1.883 285 A HA -0.141 4.181 4.320 0.002 0.000 0.217 285 A C 2.215 179.971 177.584 0.287 0.000 1.186 285 A CA 1.862 53.970 52.037 0.119 0.000 0.624 285 A CB -0.826 18.142 19.000 -0.054 0.000 0.822 285 A HN 0.854 nan 8.150 nan 0.000 0.444 286 W N 0.497 121.858 121.300 0.100 0.000 2.355 286 W HA -0.217 4.445 4.660 0.003 0.000 0.309 286 W C 2.057 178.640 176.519 0.106 0.000 1.206 286 W CA 1.826 59.239 57.345 0.112 0.000 1.284 286 W CB -1.343 28.173 29.460 0.094 0.000 1.145 286 W HN 0.644 nan 8.180 nan 0.000 0.502 287 H N 0.178 119.298 119.070 0.083 0.000 2.394 287 H HA -0.186 4.371 4.556 0.002 0.000 0.297 287 H C 1.652 176.996 175.328 0.026 0.000 1.113 287 H CA 2.693 58.700 56.048 -0.069 0.000 1.277 287 H CB -0.233 29.482 29.762 -0.078 0.000 1.370 287 H HN 0.281 nan 8.280 nan 0.000 0.506 288 E N -1.048 119.251 120.200 0.164 0.000 2.445 288 E HA 0.110 4.461 4.350 0.002 0.000 0.189 288 E C 0.896 177.567 176.600 0.119 0.000 1.069 288 E CA 0.317 56.786 56.400 0.114 0.000 0.871 288 E CB 0.432 30.214 29.700 0.136 0.000 0.991 288 E HN 0.725 nan 8.360 nan 0.000 0.481 289 G N 1.907 110.805 108.800 0.164 0.000 2.141 289 G HA2 -0.277 3.685 3.960 0.002 0.000 0.242 289 G HA3 -0.277 3.685 3.960 0.002 0.000 0.242 289 G C -0.016 174.987 174.900 0.172 0.000 0.982 289 G CA -0.130 45.066 45.100 0.161 0.000 0.662 289 G HN 0.499 nan 8.290 nan 0.000 0.527 290 H N 0.825 119.973 119.070 0.129 0.000 2.878 290 H HA 0.314 4.872 4.556 0.002 0.000 0.290 290 H C 1.345 176.691 175.328 0.030 0.000 1.065 290 H CA 0.728 56.821 56.048 0.075 0.000 1.477 290 H CB 1.199 31.006 29.762 0.076 0.000 1.484 290 H HN 0.350 nan 8.280 nan 0.000 0.504 291 E N 4.437 124.495 120.200 -0.237 0.000 2.072 291 E HA -0.106 4.245 4.350 0.002 0.000 0.190 291 E C 1.899 178.402 176.600 -0.161 0.000 0.982 291 E CA 1.060 57.356 56.400 -0.174 0.000 0.803 291 E CB 0.161 29.765 29.700 -0.160 0.000 0.755 291 E HN 0.658 nan 8.360 nan 0.000 0.453 292 R N -0.282 120.102 120.500 -0.193 0.000 2.115 292 R HA 0.047 4.388 4.340 0.002 0.000 0.230 292 R C 2.264 178.626 176.300 0.104 0.000 1.111 292 R CA 0.922 57.009 56.100 -0.021 0.000 0.976 292 R CB -0.246 30.070 30.300 0.027 0.000 0.870 292 R HN 0.218 nan 8.270 nan 0.000 0.445 293 A N 1.222 124.249 122.820 0.345 0.000 1.902 293 A HA -0.192 4.129 4.320 0.002 0.000 0.217 293 A C 2.106 179.660 177.584 -0.050 0.000 1.181 293 A CA 1.315 53.452 52.037 0.166 0.000 0.623 293 A CB -0.457 18.665 19.000 0.204 0.000 0.818 293 A HN 0.236 nan 8.150 nan 0.000 0.443 294 R N -0.236 120.117 120.500 -0.245 0.000 2.081 294 R HA -0.080 4.261 4.340 0.002 0.000 0.235 294 R C 1.956 177.949 176.300 -0.512 0.000 1.131 294 R CA 1.640 57.248 56.100 -0.819 0.000 0.960 294 R CB -0.432 29.204 30.300 -1.106 0.000 0.856 294 R HN 0.512 nan 8.270 nan 0.000 0.436 295 L N 0.355 121.415 121.223 -0.271 0.000 2.083 295 L HA -0.127 4.215 4.340 0.002 0.000 0.209 295 L C 2.755 179.575 176.870 -0.083 0.000 1.083 295 L CA 1.263 56.007 54.840 -0.159 0.000 0.752 295 L CB -0.546 41.453 42.059 -0.100 0.000 0.899 295 L HN 0.350 nan 8.230 nan 0.000 0.433 296 A N 0.245 123.032 122.820 -0.054 0.000 1.902 296 A HA -0.169 4.152 4.320 0.002 0.000 0.217 296 A C 2.200 179.812 177.584 0.047 0.000 1.181 296 A CA 1.490 53.530 52.037 0.004 0.000 0.623 296 A CB -0.567 18.431 19.000 -0.002 0.000 0.818 296 A HN 0.341 nan 8.150 nan 0.000 0.443 297 I N -0.745 119.825 120.570 -0.001 0.000 2.286 297 I HA -0.198 3.973 4.170 0.002 0.000 0.245 297 I C 2.343 178.550 176.117 0.150 0.000 1.104 297 I CA 1.048 62.410 61.300 0.103 0.000 1.397 297 I CB -0.154 37.907 38.000 0.103 0.000 1.072 297 I HN 0.127 nan 8.210 nan 0.000 0.417 298 K N 0.377 120.768 120.400 -0.014 0.000 2.057 298 K HA -0.111 4.211 4.320 0.002 0.000 0.207 298 K C 2.122 178.798 176.600 0.127 0.000 1.049 298 K CA 1.599 57.908 56.287 0.037 0.000 0.931 298 K CB -0.802 31.653 32.500 -0.076 0.000 0.714 298 K HN 0.298 nan 8.250 nan 0.000 0.440 299 T N 1.427 116.045 114.554 0.106 0.000 2.708 299 T HA -0.138 4.214 4.350 0.002 0.000 0.266 299 T C 1.605 176.440 174.700 0.225 0.000 1.037 299 T CA 1.186 63.373 62.100 0.146 0.000 1.146 299 T CB -0.401 68.528 68.868 0.102 0.000 0.865 299 T HN 0.162 nan 8.240 nan 0.000 0.435 300 F N 1.950 121.947 119.950 0.080 0.000 2.091 300 F HA -0.162 4.366 4.527 0.002 0.000 0.299 300 F C 2.260 178.117 175.800 0.095 0.000 1.103 300 F CA 0.951 59.002 58.000 0.086 0.000 1.228 300 F CB -0.737 38.307 39.000 0.074 0.000 0.984 300 F HN -0.082 nan 8.300 nan 0.000 0.477 301 V N -0.199 119.780 119.914 0.107 0.000 2.358 301 V HA -0.325 3.797 4.120 0.002 0.000 0.246 301 V C 2.356 178.423 176.094 -0.045 0.000 1.047 301 V CA 2.331 64.637 62.300 0.011 0.000 1.035 301 V CB -1.037 30.889 31.823 0.172 0.000 0.658 301 V HN 0.529 nan 8.190 nan 0.000 0.452 302 H N 0.710 119.760 119.070 -0.033 0.000 2.352 302 H HA -0.147 4.410 4.556 0.002 0.000 0.299 302 H C 2.444 177.649 175.328 -0.205 0.000 1.097 302 H CA 2.071 58.042 56.048 -0.129 0.000 1.311 302 H CB -0.036 29.761 29.762 0.058 0.000 1.377 302 H HN 0.285 nan 8.280 nan 0.000 0.504 303 R N -0.428 119.998 120.500 -0.123 0.000 2.115 303 R HA -0.003 4.339 4.340 0.002 0.000 0.226 303 R C 2.442 178.650 176.300 -0.154 0.000 1.100 303 R CA 1.301 57.322 56.100 -0.132 0.000 0.980 303 R CB -0.047 30.279 30.300 0.045 0.000 0.875 303 R HN 0.394 nan 8.270 nan 0.000 0.445 304 I N 0.502 120.939 120.570 -0.223 0.000 2.202 304 I HA -0.244 3.928 4.170 0.002 0.000 0.242 304 I C 2.573 178.576 176.117 -0.191 0.000 1.091 304 I CA 1.228 62.406 61.300 -0.205 0.000 1.368 304 I CB -0.368 37.463 38.000 -0.281 0.000 1.058 304 I HN 0.170 nan 8.210 nan 0.000 0.410 305 A N 0.582 123.220 122.820 -0.303 0.000 1.902 305 A HA -0.246 4.076 4.320 0.002 0.000 0.217 305 A C 2.453 179.858 177.584 -0.298 0.000 1.181 305 A CA 1.671 53.510 52.037 -0.331 0.000 0.623 305 A CB -0.643 17.944 19.000 -0.688 0.000 0.818 305 A HN 0.311 nan 8.150 nan 0.000 0.443 306 R N -1.579 118.673 120.500 -0.413 0.000 2.081 306 R HA -0.155 4.186 4.340 0.002 0.000 0.235 306 R C 2.141 178.303 176.300 -0.230 0.000 1.131 306 R CA 1.556 57.445 56.100 -0.352 0.000 0.960 306 R CB -0.361 29.650 30.300 -0.481 0.000 0.856 306 R HN 0.662 nan 8.270 nan 0.000 0.436 307 H N 0.076 119.079 119.070 -0.112 0.000 2.428 307 H HA -0.032 4.526 4.556 0.002 0.000 0.296 307 H C 2.167 177.495 175.328 0.001 0.000 1.062 307 H CA 1.358 57.406 56.048 -0.001 0.000 1.350 307 H CB 0.034 29.764 29.762 -0.053 0.000 1.403 307 H HN 0.234 nan 8.280 nan 0.000 0.533 308 I N 0.367 120.939 120.570 0.003 0.000 2.142 308 I HA -0.250 3.921 4.170 0.002 0.000 0.240 308 I C 2.778 178.903 176.117 0.014 0.000 1.078 308 I CA 1.058 62.332 61.300 -0.043 0.000 1.343 308 I CB -0.285 37.658 38.000 -0.096 0.000 1.046 308 I HN 0.142 nan 8.210 nan 0.000 0.405 309 A N 0.847 123.662 122.820 -0.010 0.000 1.902 309 A HA -0.139 4.183 4.320 0.002 0.000 0.217 309 A C 2.424 180.018 177.584 0.017 0.000 1.181 309 A CA 1.938 53.973 52.037 -0.003 0.000 0.623 309 A CB -1.461 17.524 19.000 -0.024 0.000 0.818 309 A HN 0.475 nan 8.150 nan 0.000 0.443 310 G N -1.362 107.457 108.800 0.031 0.000 2.418 310 G HA2 -0.242 3.719 3.960 0.002 0.000 0.217 310 G HA3 -0.242 3.719 3.960 0.002 0.000 0.217 310 G C 1.387 176.303 174.900 0.028 0.000 1.158 310 G CA 1.321 46.435 45.100 0.023 0.000 0.771 310 G HN 0.671 nan 8.290 nan 0.000 0.545 311 H N 0.570 119.634 119.070 -0.011 0.000 2.457 311 H HA 0.224 4.781 4.556 0.002 0.000 0.294 311 H C 2.757 178.054 175.328 -0.051 0.000 1.064 311 H CA 0.914 56.943 56.048 -0.031 0.000 1.330 311 H CB -0.115 29.626 29.762 -0.036 0.000 1.395 311 H HN 0.384 nan 8.280 nan 0.000 0.541 312 A N 0.784 123.643 122.820 0.066 0.000 2.024 312 A HA -0.127 4.194 4.320 0.002 0.000 0.220 312 A C 2.512 180.084 177.584 -0.020 0.000 1.164 312 A CA 1.347 53.392 52.037 0.012 0.000 0.643 312 A CB -0.951 18.054 19.000 0.009 0.000 0.806 312 A HN 0.470 nan 8.150 nan 0.000 0.451 313 A N -0.542 122.260 122.820 -0.030 0.000 2.024 313 A HA -0.061 4.261 4.320 0.002 0.000 0.220 313 A C 2.146 179.685 177.584 -0.075 0.000 1.164 313 A CA 1.829 53.838 52.037 -0.047 0.000 0.643 313 A CB -0.591 18.376 19.000 -0.056 0.000 0.806 313 A HN 0.431 nan 8.150 nan 0.000 0.451 314 S N -0.664 114.976 115.700 -0.100 0.000 2.650 314 S HA 0.316 4.787 4.470 0.002 0.000 0.219 314 S C 0.342 174.828 174.600 -0.191 0.000 0.960 314 S CA -0.052 58.065 58.200 -0.139 0.000 0.925 314 S CB -0.343 62.771 63.200 -0.145 0.000 0.775 314 S HN 0.430 nan 8.310 nan 0.000 0.525 315 L N 0.829 121.958 121.223 -0.157 0.000 2.344 315 L HA 0.455 4.797 4.340 0.002 0.000 0.272 315 L C 1.175 177.933 176.870 -0.187 0.000 1.035 315 L CA -0.943 53.777 54.840 -0.200 0.000 0.807 315 L CB 0.686 42.699 42.059 -0.078 0.000 1.237 315 L HN 0.114 nan 8.230 nan 0.000 0.442 316 H N 0.789 119.856 119.070 -0.005 0.000 2.448 316 H HA 0.176 4.733 4.556 0.002 0.000 0.292 316 H C 0.325 175.653 175.328 -0.000 0.000 1.035 316 H CA 0.668 56.712 56.048 -0.006 0.000 1.349 316 H CB 0.352 30.109 29.762 -0.007 0.000 1.425 316 H HN 0.398 nan 8.280 nan 0.000 0.539 317 R N 0.455 121.015 120.500 0.100 0.000 2.535 317 R HA 0.232 4.574 4.340 0.002 0.000 0.274 317 R C -1.796 174.527 176.300 0.039 0.000 1.090 317 R CA -0.882 55.257 56.100 0.064 0.000 0.930 317 R CB 1.653 31.994 30.300 0.069 0.000 1.223 317 R HN -0.013 nan 8.270 nan 0.000 0.441 318 L N 4.688 125.929 121.223 0.029 0.000 2.255 318 L HA 0.333 4.674 4.340 0.002 0.000 0.289 318 L C -0.056 176.831 176.870 0.028 0.000 1.046 318 L CA 0.416 55.270 54.840 0.022 0.000 0.816 318 L CB 1.191 43.259 42.059 0.014 0.000 1.197 318 L HN 0.725 nan 8.230 nan 0.000 0.427 319 D N 3.341 123.762 120.400 0.034 0.000 2.324 319 D HA 0.243 4.885 4.640 0.002 0.000 0.212 319 D C 0.568 176.885 176.300 0.030 0.000 0.984 319 D CA 0.788 54.812 54.000 0.039 0.000 0.885 319 D CB 0.881 41.716 40.800 0.058 0.000 0.996 319 D HN 0.608 nan 8.370 nan 0.000 0.505 320 G N 0.211 109.022 108.800 0.018 0.000 2.733 320 G HA2 0.582 4.543 3.960 0.002 0.000 0.297 320 G HA3 0.582 4.543 3.960 0.002 0.000 0.297 320 G C -1.469 173.412 174.900 -0.033 0.000 1.422 320 G CA -0.577 44.523 45.100 0.000 0.000 0.942 320 G HN -0.032 nan 8.290 nan 0.000 0.510 321 I N 2.118 122.656 120.570 -0.053 0.000 2.418 321 I HA 0.398 4.570 4.170 0.002 0.000 0.287 321 I C -0.720 175.287 176.117 -0.184 0.000 1.008 321 I CA -0.877 60.334 61.300 -0.148 0.000 1.104 321 I CB 1.921 39.819 38.000 -0.171 0.000 1.264 321 I HN 0.136 nan 8.210 nan 0.000 0.438 322 I N 6.269 126.694 120.570 -0.242 0.000 2.406 322 I HA 0.392 4.563 4.170 0.002 0.000 0.290 322 I C -0.514 175.455 176.117 -0.247 0.000 0.999 322 I CA -0.534 60.676 61.300 -0.150 0.000 1.124 322 I CB 1.085 39.034 38.000 -0.085 0.000 1.289 322 I HN 0.309 nan 8.210 nan 0.000 0.441 323 F N 3.720 123.663 119.950 -0.011 0.000 2.399 323 F HA 0.638 5.167 4.527 0.002 0.000 0.334 323 F C 0.898 176.675 175.800 -0.039 0.000 1.097 323 F CA -0.118 57.870 58.000 -0.021 0.000 1.076 323 F CB 1.928 40.917 39.000 -0.018 0.000 1.162 323 F HN 0.459 nan 8.300 nan 0.000 0.495 324 T N 0.670 115.281 114.554 0.094 0.000 2.711 324 T HA 0.668 5.019 4.350 0.002 0.000 0.302 324 T C -0.542 174.024 174.700 -0.223 0.000 1.373 324 T CA 0.137 62.215 62.100 -0.037 0.000 1.000 324 T CB 1.124 69.972 68.868 -0.034 0.000 1.483 324 T HN 1.344 nan 8.240 nan 0.000 0.499 325 G N -0.322 108.269 108.800 -0.349 0.000 2.795 325 G HA2 0.155 4.116 3.960 0.002 0.000 0.664 325 G HA3 0.155 4.116 3.960 0.002 0.000 0.664 325 G C 0.936 175.719 174.900 -0.196 0.000 1.381 325 G CA 0.113 44.925 45.100 -0.479 0.000 0.853 325 G HN 1.521 nan 8.290 nan 0.000 0.545 326 G N -0.732 107.982 108.800 -0.144 0.000 2.440 326 G HA2 -0.050 3.912 3.960 0.002 0.000 0.218 326 G HA3 -0.050 3.912 3.960 0.002 0.000 0.218 326 G C 1.838 176.717 174.900 -0.035 0.000 1.154 326 G CA 1.745 46.806 45.100 -0.065 0.000 0.767 326 G HN 0.837 nan 8.290 nan 0.000 0.552 327 I N 0.777 121.338 120.570 -0.015 0.000 2.339 327 I HA 0.046 4.218 4.170 0.002 0.000 0.245 327 I C 3.062 179.202 176.117 0.038 0.000 1.096 327 I CA 0.824 62.148 61.300 0.039 0.000 1.408 327 I CB -0.363 37.716 38.000 0.133 0.000 1.092 327 I HN 0.220 nan 8.210 nan 0.000 0.423 328 G N 0.328 109.154 108.800 0.042 0.000 2.432 328 G HA2 -0.204 3.758 3.960 0.002 0.000 0.219 328 G HA3 -0.204 3.758 3.960 0.002 0.000 0.219 328 G C 1.519 176.438 174.900 0.032 0.000 1.135 328 G CA 0.579 45.733 45.100 0.091 0.000 0.767 328 G HN 0.394 nan 8.290 nan 0.000 0.550 329 E N 0.078 120.277 120.200 -0.002 0.000 2.158 329 E HA 0.004 4.356 4.350 0.002 0.000 0.191 329 E C 1.843 178.433 176.600 -0.018 0.000 0.982 329 E CA 0.606 57.002 56.400 -0.006 0.000 0.823 329 E CB 0.116 29.806 29.700 -0.017 0.000 0.766 329 E HN 0.345 nan 8.360 nan 0.000 0.468 330 N N -0.314 118.372 118.700 -0.023 0.000 2.332 330 N HA -0.004 4.738 4.740 0.002 0.000 0.190 330 N C 0.114 175.605 175.510 -0.032 0.000 1.117 330 N CA 0.129 53.164 53.050 -0.025 0.000 0.883 330 N CB 0.999 39.474 38.487 -0.020 0.000 1.089 330 N HN -0.141 nan 8.380 nan 0.000 0.480 331 S N 1.560 117.241 115.700 -0.032 0.000 2.485 331 S HA 0.220 4.691 4.470 0.002 0.000 0.312 331 S C 1.527 176.086 174.600 -0.068 0.000 1.102 331 S CA -0.430 57.753 58.200 -0.028 0.000 1.066 331 S CB 0.207 63.417 63.200 0.018 0.000 1.102 331 S HN -0.093 nan 8.310 nan 0.000 0.519 332 V N 6.255 126.129 119.914 -0.067 0.000 2.287 332 V HA -0.162 3.959 4.120 0.002 0.000 0.248 332 V C 2.272 178.320 176.094 -0.077 0.000 1.053 332 V CA 1.907 64.156 62.300 -0.085 0.000 1.027 332 V CB -0.720 31.060 31.823 -0.071 0.000 0.646 332 V HN 0.795 nan 8.190 nan 0.000 0.447 333 L N -0.299 120.900 121.223 -0.040 0.000 1.994 333 L HA -0.116 4.226 4.340 0.002 0.000 0.208 333 L C 2.158 179.048 176.870 0.033 0.000 1.071 333 L CA 1.968 56.806 54.840 -0.004 0.000 0.745 333 L CB -0.597 41.472 42.059 0.015 0.000 0.892 333 L HN 0.162 nan 8.230 nan 0.000 0.431 334 I N -0.222 120.382 120.570 0.055 0.000 2.226 334 I HA -0.251 3.920 4.170 0.002 0.000 0.245 334 I C 2.692 178.782 176.117 -0.045 0.000 1.100 334 I CA 1.336 62.691 61.300 0.092 0.000 1.374 334 I CB -0.685 37.428 38.000 0.189 0.000 1.057 334 I HN 0.242 nan 8.210 nan 0.000 0.413 335 R N -0.365 119.999 120.500 -0.228 0.000 2.073 335 R HA -0.236 4.105 4.340 0.002 0.000 0.234 335 R C 2.260 178.398 176.300 -0.271 0.000 1.134 335 R CA 1.710 57.476 56.100 -0.557 0.000 0.952 335 R CB -0.467 29.388 30.300 -0.741 0.000 0.850 335 R HN 0.483 nan 8.270 nan 0.000 0.433 336 Q N 0.954 120.675 119.800 -0.131 0.000 2.050 336 Q HA -0.127 4.214 4.340 0.002 0.000 0.202 336 Q C 2.142 178.160 176.000 0.029 0.000 0.980 336 Q CA 1.304 57.081 55.803 -0.043 0.000 0.840 336 Q CB -0.035 28.686 28.738 -0.027 0.000 0.898 336 Q HN 0.315 nan 8.270 nan 0.000 0.424 337 L N -0.198 121.064 121.223 0.066 0.000 2.083 337 L HA -0.184 4.158 4.340 0.002 0.000 0.209 337 L C 2.392 179.358 176.870 0.160 0.000 1.083 337 L CA 0.775 55.695 54.840 0.134 0.000 0.752 337 L CB -0.450 41.725 42.059 0.192 0.000 0.899 337 L HN 0.175 nan 8.230 nan 0.000 0.433 338 V N 0.198 120.189 119.914 0.128 0.000 2.307 338 V HA -0.279 3.842 4.120 0.002 0.000 0.245 338 V C 2.315 178.522 176.094 0.189 0.000 1.045 338 V CA 1.831 64.227 62.300 0.160 0.000 1.024 338 V CB -0.269 31.680 31.823 0.211 0.000 0.651 338 V HN 0.298 nan 8.190 nan 0.000 0.449 339 I N -0.202 120.471 120.570 0.172 0.000 2.226 339 I HA -0.248 3.924 4.170 0.002 0.000 0.245 339 I C 2.499 178.693 176.117 0.129 0.000 1.100 339 I CA 1.620 63.017 61.300 0.162 0.000 1.374 339 I CB -0.358 37.721 38.000 0.132 0.000 1.057 339 I HN 0.362 nan 8.210 nan 0.000 0.413 340 E N -0.472 119.797 120.200 0.115 0.000 2.204 340 E HA -0.261 4.090 4.350 0.002 0.000 0.194 340 E C 1.776 178.448 176.600 0.119 0.000 0.989 340 E CA 0.819 57.276 56.400 0.096 0.000 0.824 340 E CB -0.157 29.588 29.700 0.075 0.000 0.756 340 E HN 0.569 nan 8.360 nan 0.000 0.477 341 H N -0.500 118.610 119.070 0.065 0.000 2.563 341 H HA 0.075 4.633 4.556 0.002 0.000 0.272 341 H C 0.865 176.218 175.328 0.042 0.000 1.005 341 H CA 0.310 56.394 56.048 0.060 0.000 1.171 341 H CB 0.277 30.078 29.762 0.065 0.000 1.351 341 H HN 0.025 nan 8.280 nan 0.000 0.602 342 L N -0.479 120.860 121.223 0.194 0.000 3.110 342 L HA 0.266 4.608 4.340 0.002 0.000 0.266 342 L C 2.043 178.966 176.870 0.088 0.000 1.257 342 L CA -0.012 54.904 54.840 0.127 0.000 1.038 342 L CB 0.877 42.994 42.059 0.096 0.000 1.395 342 L HN 0.284 nan 8.230 nan 0.000 0.566 343 G N -0.036 108.811 108.800 0.079 0.000 2.470 343 G HA2 -0.215 3.747 3.960 0.002 0.000 0.220 343 G HA3 -0.215 3.747 3.960 0.002 0.000 0.220 343 G C 1.441 176.368 174.900 0.044 0.000 1.121 343 G CA 0.870 46.002 45.100 0.053 0.000 0.766 343 G HN 0.240 nan 8.290 nan 0.000 0.553 344 V N 0.542 120.486 119.914 0.049 0.000 2.594 344 V HA -0.011 4.111 4.120 0.002 0.000 0.253 344 V C 2.434 178.548 176.094 0.034 0.000 1.069 344 V CA 1.331 63.655 62.300 0.039 0.000 1.082 344 V CB -0.119 31.730 31.823 0.043 0.000 0.680 344 V HN 0.433 nan 8.190 nan 0.000 0.469 345 L N 0.164 121.410 121.223 0.038 0.000 2.591 345 L HA 0.358 4.700 4.340 0.002 0.000 0.228 345 L C 1.611 178.500 176.870 0.031 0.000 1.133 345 L CA 0.748 55.606 54.840 0.031 0.000 0.880 345 L CB -0.474 41.604 42.059 0.030 0.000 1.033 345 L HN 0.498 nan 8.230 nan 0.000 0.450 346 G N 0.792 109.612 108.800 0.033 0.000 2.137 346 G HA2 -0.249 3.713 3.960 0.002 0.000 0.237 346 G HA3 -0.249 3.713 3.960 0.002 0.000 0.237 346 G C 0.159 175.079 174.900 0.034 0.000 1.002 346 G CA -0.333 44.784 45.100 0.030 0.000 0.702 346 G HN 0.217 nan 8.290 nan 0.000 0.515 347 L N 0.725 121.973 121.223 0.042 0.000 2.416 347 L HA 0.481 4.822 4.340 0.002 0.000 0.272 347 L C 0.453 177.350 176.870 0.044 0.000 1.161 347 L CA 0.288 55.157 54.840 0.049 0.000 0.845 347 L CB 0.957 43.056 42.059 0.067 0.000 1.119 347 L HN 0.144 nan 8.230 nan 0.000 0.464 348 T N 3.896 118.475 114.554 0.041 0.000 2.840 348 T HA 0.391 4.742 4.350 0.002 0.000 0.287 348 T C -0.506 174.214 174.700 0.034 0.000 0.991 348 T CA -0.472 61.647 62.100 0.033 0.000 0.964 348 T CB 1.687 70.570 68.868 0.025 0.000 0.954 348 T HN 0.217 nan 8.240 nan 0.000 0.438 349 L N 3.326 124.567 121.223 0.030 0.000 2.326 349 L HA 0.457 4.799 4.340 0.002 0.000 0.278 349 L C 0.005 176.880 176.870 0.009 0.000 1.092 349 L CA -0.188 54.665 54.840 0.022 0.000 0.810 349 L CB 0.806 42.874 42.059 0.016 0.000 1.153 349 L HN 0.514 nan 8.230 nan 0.000 0.439 350 D N 3.781 124.183 120.400 0.004 0.000 2.428 350 D HA 0.104 4.745 4.640 0.002 0.000 0.221 350 D C 0.890 177.179 176.300 -0.019 0.000 1.123 350 D CA -0.167 53.830 54.000 -0.006 0.000 0.869 350 D CB 1.301 42.098 40.800 -0.005 0.000 1.032 350 D HN 0.416 nan 8.370 nan 0.000 0.506 351 V N 4.092 123.993 119.914 -0.021 0.000 2.515 351 V HA -0.162 3.960 4.120 0.002 0.000 0.250 351 V C 2.285 178.353 176.094 -0.043 0.000 1.058 351 V CA 1.173 63.455 62.300 -0.031 0.000 1.064 351 V CB -0.235 31.573 31.823 -0.026 0.000 0.675 351 V HN 0.507 nan 8.190 nan 0.000 0.461 352 E N -0.364 119.812 120.200 -0.040 0.000 2.077 352 E HA -0.164 4.188 4.350 0.002 0.000 0.193 352 E C 2.240 178.796 176.600 -0.073 0.000 0.989 352 E CA 1.176 57.544 56.400 -0.052 0.000 0.800 352 E CB -0.286 29.389 29.700 -0.041 0.000 0.746 352 E HN 0.397 nan 8.360 nan 0.000 0.452 353 M N 0.477 120.040 119.600 -0.062 0.000 2.175 353 M HA -0.115 4.367 4.480 0.002 0.000 0.264 353 M C 1.892 178.143 176.300 -0.083 0.000 1.063 353 M CA 1.030 56.286 55.300 -0.074 0.000 1.119 353 M CB -1.182 31.392 32.600 -0.043 0.000 1.377 353 M HN 0.029 nan 8.290 nan 0.000 0.415 354 N N 1.022 119.682 118.700 -0.067 0.000 2.309 354 N HA -0.120 4.621 4.740 0.002 0.000 0.182 354 N C 1.692 177.148 175.510 -0.089 0.000 1.018 354 N CA 2.047 55.050 53.050 -0.077 0.000 0.876 354 N CB -0.045 38.397 38.487 -0.074 0.000 0.972 354 N HN 0.389 nan 8.380 nan 0.000 0.434 355 K N 0.094 120.441 120.400 -0.088 0.000 2.288 355 K HA 0.049 4.370 4.320 0.002 0.000 0.201 355 K C 0.755 177.290 176.600 -0.108 0.000 1.048 355 K CA 0.697 56.931 56.287 -0.088 0.000 0.956 355 K CB -0.552 31.903 32.500 -0.075 0.000 0.746 355 K HN 0.279 nan 8.250 nan 0.000 0.461 356 Q N 1.262 120.964 119.800 -0.164 0.000 2.286 356 Q HA 0.121 4.462 4.340 0.002 0.000 0.290 356 Q C -2.137 173.792 176.000 -0.118 0.000 1.049 356 Q CA -1.922 53.721 55.803 -0.266 0.000 0.923 356 Q CB 0.729 29.154 28.738 -0.521 0.000 1.183 356 Q HN 0.378 nan 8.270 nan 0.000 0.383 357 P HA 0.039 nan 4.420 nan 0.000 0.274 357 P C 0.343 177.712 177.300 0.116 0.000 1.256 357 P CA -0.290 62.844 63.100 0.058 0.000 0.795 357 P CB 0.730 32.478 31.700 0.081 0.000 1.038 358 N N -0.003 118.736 118.700 0.065 0.000 2.520 358 N HA -0.131 4.611 4.740 0.002 0.000 0.185 358 N C 1.596 177.143 175.510 0.062 0.000 1.068 358 N CA 1.206 54.290 53.050 0.055 0.000 0.911 358 N CB -0.554 37.945 38.487 0.020 0.000 0.961 358 N HN 0.346 nan 8.380 nan 0.000 0.446 359 S N -1.072 114.664 115.700 0.061 0.000 2.440 359 S HA -0.178 4.293 4.470 0.002 0.000 0.238 359 S C 1.472 176.031 174.600 -0.068 0.000 1.010 359 S CA 0.905 59.097 58.200 -0.013 0.000 0.972 359 S CB -0.692 62.479 63.200 -0.048 0.000 0.774 359 S HN 0.484 nan 8.310 nan 0.000 0.501 360 H N 1.792 120.857 119.070 -0.007 0.000 2.556 360 H HA 0.233 4.791 4.556 0.002 0.000 0.268 360 H C 1.941 177.269 175.328 0.000 0.000 0.996 360 H CA 0.347 56.392 56.048 -0.004 0.000 1.157 360 H CB -0.480 29.279 29.762 -0.006 0.000 1.355 360 H HN 0.622 nan 8.280 nan 0.000 0.597 361 G N 1.746 110.598 108.800 0.087 0.000 2.574 361 G HA2 -0.331 3.630 3.960 0.002 0.000 0.286 361 G HA3 -0.331 3.630 3.960 0.002 0.000 0.286 361 G C -0.189 174.746 174.900 0.059 0.000 1.212 361 G CA -0.087 45.046 45.100 0.054 0.000 0.979 361 G HN 0.462 nan 8.290 nan 0.000 0.557 362 E N 2.029 122.256 120.200 0.045 0.000 2.328 362 E HA 0.389 4.740 4.350 0.002 0.000 0.265 362 E C 0.817 177.440 176.600 0.039 0.000 1.057 362 E CA 0.410 56.831 56.400 0.035 0.000 0.916 362 E CB 0.223 29.932 29.700 0.016 0.000 0.993 362 E HN 0.663 nan 8.360 nan 0.000 0.446 363 R N 2.612 123.136 120.500 0.040 0.000 2.566 363 R HA 0.431 4.772 4.340 0.002 0.000 0.271 363 R C -1.081 175.239 176.300 0.034 0.000 1.071 363 R CA -0.797 55.326 56.100 0.038 0.000 0.915 363 R CB 0.801 31.127 30.300 0.044 0.000 1.228 363 R HN 0.305 nan 8.270 nan 0.000 0.449 364 I N 4.247 124.834 120.570 0.027 0.000 2.395 364 I HA 0.186 4.357 4.170 0.002 0.000 0.289 364 I C 1.391 177.521 176.117 0.023 0.000 1.023 364 I CA -0.479 60.839 61.300 0.030 0.000 1.350 364 I CB 1.411 39.426 38.000 0.025 0.000 1.409 364 I HN 0.728 nan 8.210 nan 0.000 0.507 365 I N 1.380 121.971 120.570 0.034 0.000 4.154 365 I HA 0.236 4.407 4.170 0.002 0.000 0.334 365 I C 0.449 176.581 176.117 0.025 0.000 1.371 365 I CA -0.273 61.038 61.300 0.018 0.000 1.110 365 I CB 0.202 38.208 38.000 0.009 0.000 1.085 365 I HN 0.456 nan 8.210 nan 0.000 0.398 366 S N 1.745 117.468 115.700 0.038 0.000 2.610 366 S HA 0.794 5.265 4.470 0.002 0.000 0.273 366 S C 0.356 174.970 174.600 0.023 0.000 1.274 366 S CA -0.441 57.782 58.200 0.037 0.000 1.023 366 S CB 1.878 65.106 63.200 0.047 0.000 0.962 366 S HN 0.367 nan 8.310 nan 0.000 0.523 367 A N 1.822 124.654 122.820 0.021 0.000 2.313 367 A HA 0.360 4.681 4.320 0.002 0.000 0.261 367 A C 1.212 178.806 177.584 0.017 0.000 1.090 367 A CA -0.774 51.272 52.037 0.015 0.000 0.807 367 A CB -0.148 18.859 19.000 0.013 0.000 1.055 367 A HN 0.901 nan 8.150 nan 0.000 0.492 368 N N 0.763 119.471 118.700 0.014 0.000 2.120 368 N HA -0.098 4.644 4.740 0.002 0.000 0.188 368 N C -1.005 174.514 175.510 0.016 0.000 1.024 368 N CA 1.766 54.825 53.050 0.015 0.000 0.852 368 N CB -1.560 36.934 38.487 0.012 0.000 1.003 368 N HN 0.496 nan 8.380 nan 0.000 0.424 369 P HA -0.009 nan 4.420 nan 0.000 0.228 369 P C 0.303 177.614 177.300 0.019 0.000 1.151 369 P CA 0.396 63.505 63.100 0.015 0.000 0.770 369 P CB 0.036 31.744 31.700 0.014 0.000 0.786 370 S N 0.036 115.749 115.700 0.022 0.000 2.546 370 S HA -0.054 4.417 4.470 0.002 0.000 0.290 370 S C 1.337 175.952 174.600 0.026 0.000 1.290 370 S CA -0.044 58.172 58.200 0.026 0.000 1.069 370 S CB 0.250 63.469 63.200 0.032 0.000 0.846 370 S HN 0.167 nan 8.310 nan 0.000 0.495 371 Q N 2.282 122.097 119.800 0.026 0.000 2.297 371 Q HA 0.057 4.399 4.340 0.002 0.000 0.204 371 Q C -0.134 175.882 176.000 0.026 0.000 0.962 371 Q CA 0.707 56.524 55.803 0.024 0.000 0.879 371 Q CB 0.239 28.991 28.738 0.023 0.000 0.947 371 Q HN 0.512 nan 8.270 nan 0.000 0.462 372 V N 1.111 121.043 119.914 0.029 0.000 2.604 372 V HA 0.305 4.426 4.120 0.002 0.000 0.305 372 V C -0.246 175.868 176.094 0.033 0.000 1.043 372 V CA -0.766 61.552 62.300 0.029 0.000 0.888 372 V CB 1.972 33.811 31.823 0.026 0.000 0.995 372 V HN 0.101 nan 8.190 nan 0.000 0.429 373 I N 3.252 123.841 120.570 0.031 0.000 2.496 373 I HA 0.244 4.415 4.170 0.002 0.000 0.285 373 I C -0.121 176.021 176.117 0.042 0.000 1.080 373 I CA 0.253 61.574 61.300 0.035 0.000 1.404 373 I CB 0.583 38.601 38.000 0.030 0.000 1.403 373 I HN 0.537 nan 8.210 nan 0.000 0.539 374 C N 5.716 125.055 119.300 0.065 0.000 2.382 374 C HA 0.912 5.373 4.460 0.002 0.000 0.327 374 C C 0.358 175.414 174.990 0.111 0.000 1.250 374 C CA -0.412 58.672 59.018 0.110 0.000 1.707 374 C CB 0.624 28.470 27.740 0.178 0.000 2.272 374 C HN 0.893 nan 8.230 nan 0.000 0.506 375 A N 2.219 125.120 122.820 0.136 0.000 2.556 375 A HA 0.877 5.199 4.320 0.002 0.000 0.294 375 A C -1.426 176.259 177.584 0.169 0.000 1.091 375 A CA -0.376 51.726 52.037 0.108 0.000 0.704 375 A CB 1.060 20.088 19.000 0.047 0.000 1.300 375 A HN 0.656 nan 8.150 nan 0.000 0.406 376 V N 1.490 121.474 119.914 0.117 0.000 2.459 376 V HA 0.529 4.651 4.120 0.002 0.000 0.295 376 V C -0.586 175.548 176.094 0.068 0.000 1.029 376 V CA -0.144 62.226 62.300 0.116 0.000 0.874 376 V CB 1.242 33.109 31.823 0.074 0.000 0.985 376 V HN 0.655 nan 8.190 nan 0.000 0.438 377 I N 6.499 127.105 120.570 0.061 0.000 2.476 377 I HA 0.350 4.522 4.170 0.002 0.000 0.281 377 I C -2.623 173.533 176.117 0.064 0.000 1.040 377 I CA -1.981 59.344 61.300 0.042 0.000 1.094 377 I CB 2.720 40.718 38.000 -0.003 0.000 1.219 377 I HN 0.421 nan 8.210 nan 0.000 0.450 378 P HA 0.002 nan 4.420 nan 0.000 0.264 378 P C 0.022 177.395 177.300 0.121 0.000 1.193 378 P CA 0.256 63.393 63.100 0.062 0.000 0.763 378 P CB 0.569 32.296 31.700 0.045 0.000 0.810 379 T N 2.790 117.380 114.554 0.060 0.000 2.868 379 T HA 0.237 4.588 4.350 0.002 0.000 0.292 379 T C 0.047 174.659 174.700 -0.148 0.000 1.028 379 T CA -0.082 62.052 62.100 0.056 0.000 1.059 379 T CB -0.234 68.659 68.868 0.041 0.000 0.991 379 T HN 0.291 nan 8.240 nan 0.000 0.531 380 N N 2.207 120.596 118.700 -0.518 0.000 2.751 380 N HA 0.175 4.917 4.740 0.002 0.000 0.238 380 N C 0.280 175.415 175.510 -0.625 0.000 1.351 380 N CA -0.272 52.431 53.050 -0.578 0.000 0.751 380 N CB 0.999 39.108 38.487 -0.630 0.000 1.342 380 N HN 0.687 nan 8.380 nan 0.000 0.540 381 E N 0.532 120.537 120.200 -0.324 0.000 2.106 381 E HA -0.119 4.233 4.350 0.002 0.000 0.192 381 E C 0.667 177.149 176.600 -0.198 0.000 0.984 381 E CA 1.286 57.550 56.400 -0.226 0.000 0.806 381 E CB 0.408 30.038 29.700 -0.117 0.000 0.750 381 E HN 0.511 nan 8.360 nan 0.000 0.458 382 E N 0.883 120.972 120.200 -0.184 0.000 2.077 382 E HA -0.195 4.156 4.350 0.002 0.000 0.193 382 E C 1.830 178.343 176.600 -0.145 0.000 0.989 382 E CA 1.063 57.376 56.400 -0.144 0.000 0.800 382 E CB -0.041 29.581 29.700 -0.128 0.000 0.746 382 E HN 0.081 nan 8.360 nan 0.000 0.452 383 K N 0.098 120.380 120.400 -0.197 0.000 2.057 383 K HA -0.167 4.154 4.320 0.002 0.000 0.207 383 K C 2.100 178.639 176.600 -0.102 0.000 1.049 383 K CA 1.345 57.541 56.287 -0.151 0.000 0.931 383 K CB -0.076 32.315 32.500 -0.181 0.000 0.714 383 K HN 0.045 nan 8.250 nan 0.000 0.440 384 M N 1.227 120.730 119.600 -0.162 0.000 2.086 384 M HA -0.105 4.376 4.480 0.002 0.000 0.261 384 M C 1.686 177.968 176.300 -0.030 0.000 1.067 384 M CA 1.557 56.839 55.300 -0.030 0.000 1.116 384 M CB -0.144 32.436 32.600 -0.033 0.000 1.348 384 M HN 0.227 nan 8.290 nan 0.000 0.407 385 I N -0.276 120.255 120.570 -0.066 0.000 2.163 385 I HA -0.300 3.872 4.170 0.002 0.000 0.243 385 I C 2.405 178.498 176.117 -0.040 0.000 1.085 385 I CA 1.271 62.536 61.300 -0.057 0.000 1.347 385 I CB -0.823 37.127 38.000 -0.083 0.000 1.044 385 I HN 0.408 nan 8.210 nan 0.000 0.408 386 A N 0.929 123.721 122.820 -0.046 0.000 1.902 386 A HA -0.168 4.153 4.320 0.002 0.000 0.217 386 A C 2.293 179.878 177.584 0.001 0.000 1.181 386 A CA 1.441 53.459 52.037 -0.031 0.000 0.623 386 A CB -0.867 18.110 19.000 -0.039 0.000 0.818 386 A HN 0.375 nan 8.150 nan 0.000 0.443 387 L N -0.552 120.680 121.223 0.015 0.000 2.046 387 L HA -0.211 4.131 4.340 0.002 0.000 0.208 387 L C 2.154 179.062 176.870 0.062 0.000 1.077 387 L CA 1.503 56.370 54.840 0.044 0.000 0.747 387 L CB -0.649 41.445 42.059 0.058 0.000 0.896 387 L HN 0.285 nan 8.230 nan 0.000 0.432 388 D N 0.083 120.510 120.400 0.045 0.000 2.123 388 D HA -0.174 4.468 4.640 0.002 0.000 0.196 388 D C 2.224 178.583 176.300 0.098 0.000 0.992 388 D CA 1.543 55.581 54.000 0.063 0.000 0.833 388 D CB -0.092 40.730 40.800 0.037 0.000 0.954 388 D HN 0.325 nan 8.370 nan 0.000 0.455 389 A N 0.361 123.213 122.820 0.052 0.000 1.898 389 A HA -0.113 4.208 4.320 0.002 0.000 0.216 389 A C 2.361 179.973 177.584 0.048 0.000 1.181 389 A CA 0.861 52.921 52.037 0.039 0.000 0.620 389 A CB -0.694 18.305 19.000 -0.002 0.000 0.819 389 A HN 0.196 nan 8.150 nan 0.000 0.442 390 I N -1.080 119.520 120.570 0.050 0.000 2.179 390 I HA -0.302 3.869 4.170 0.002 0.000 0.242 390 I C 2.507 178.663 176.117 0.065 0.000 1.088 390 I CA 1.927 63.254 61.300 0.046 0.000 1.357 390 I CB -0.510 37.516 38.000 0.042 0.000 1.051 390 I HN 0.651 nan 8.210 nan 0.000 0.409 391 H N 1.252 120.333 119.070 0.017 0.000 2.319 391 H HA -0.160 4.397 4.556 0.002 0.000 0.299 391 H C 2.113 177.455 175.328 0.024 0.000 1.092 391 H CA 1.818 57.879 56.048 0.023 0.000 1.302 391 H CB -0.142 29.637 29.762 0.029 0.000 1.373 391 H HN 0.214 nan 8.280 nan 0.000 0.497 392 L N -0.133 121.122 121.223 0.053 0.000 2.275 392 L HA -0.019 4.322 4.340 0.002 0.000 0.215 392 L C 2.777 179.618 176.870 -0.049 0.000 1.119 392 L CA 0.743 55.581 54.840 -0.003 0.000 0.790 392 L CB -0.494 41.627 42.059 0.103 0.000 0.919 392 L HN 0.549 nan 8.230 nan 0.000 0.443 393 G N -0.004 108.777 108.800 -0.031 0.000 2.470 393 G HA2 -0.238 3.724 3.960 0.002 0.000 0.220 393 G HA3 -0.238 3.724 3.960 0.002 0.000 0.220 393 G C 1.258 176.130 174.900 -0.046 0.000 1.121 393 G CA 0.515 45.599 45.100 -0.027 0.000 0.766 393 G HN 0.371 nan 8.290 nan 0.000 0.553 394 N N -0.075 118.569 118.700 -0.092 0.000 2.463 394 N HA 0.036 4.777 4.740 0.002 0.000 0.181 394 N C 0.667 176.124 175.510 -0.089 0.000 1.078 394 N CA -0.019 52.976 53.050 -0.093 0.000 0.902 394 N CB 0.366 38.778 38.487 -0.125 0.000 0.970 394 N HN 0.125 nan 8.380 nan 0.000 0.451 395 V N 2.113 121.971 119.914 -0.093 0.000 2.715 395 V HA 0.038 4.160 4.120 0.002 0.000 0.299 395 V C 0.558 176.637 176.094 -0.024 0.000 1.054 395 V CA -0.274 61.990 62.300 -0.060 0.000 1.077 395 V CB 0.910 32.708 31.823 -0.042 0.000 0.972 395 V HN 0.013 nan 8.190 nan 0.000 0.484 396 K N 4.435 124.827 120.400 -0.013 0.000 2.266 396 K HA 0.595 4.916 4.320 0.002 0.000 0.274 396 K C 0.084 176.688 176.600 0.008 0.000 1.090 396 K CA 0.073 56.359 56.287 -0.001 0.000 0.925 396 K CB 1.131 33.631 32.500 0.000 0.000 1.225 396 K HN 0.748 nan 8.250 nan 0.000 0.458 397 A N 0.000 122.828 122.820 0.013 0.000 2.254 397 A HA 0.000 4.321 4.320 0.002 0.000 0.244 397 A CA 0.000 52.049 52.037 0.021 0.000 0.836 397 A CB 0.000 19.016 19.000 0.027 0.000 0.831 397 A HN 0.000 nan 8.150 nan 0.000 0.486