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 3kdn_1_H DATA FIRST_RESID 7 DATA SEQUENCE TIYDYYVDKG YEPSKKRDII AVFRVTPAEG YTIEQAAGAV AAESSTGTWT DATA SEQUENCE TLYPWYEQER WADLSAKAYD FHDMGDGSWI VRIAYPFHAF EEANLPGLLA DATA SEQUENCE SIAGNIFGMK RVKGLRLEDL YFPEKLIREF DGPAFGIEGV RKMLEIKDRP DATA SEQUENCE IYGVVPKPKV GYSPEEFEKL AYDLLSNGAD YMXDDENLTS PWYNRFEERA DATA SEQUENCE EIMAKIIDKV ENETGEKKTW FANITADLLE MEQRLEVLAD LGLKHAMVDV DATA SEQUENCE VITGWGALRY IRDLAADYGL AIHGHRAMHA AFTRNPYHGI SMFVLAKLYR DATA SEQUENCE LIGIDQLHVG TAGAGKLEGE RDITIQNARI LRESHYKPDE NDVFHLEQKF DATA SEQUENCE YSIKAAFPTS SGGLHPGNIQ PVIEALGTDI VLQLGGGTLG HPDGPAAGAR DATA SEQUENCE AVRQAIDAIM QGIPLDEYAK THKELARALE KWGHVTPV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.756 174.700 0.093 0.000 1.109 7 T CA 0.000 62.141 62.100 0.068 0.000 1.349 7 T CB 0.000 68.881 68.868 0.021 0.000 0.612 8 I N 1.036 121.610 120.570 0.007 0.000 2.248 8 I HA 0.064 4.233 4.170 -0.001 0.000 0.248 8 I C 2.512 178.813 176.117 0.306 0.000 1.107 8 I CA 2.543 63.882 61.300 0.065 0.000 1.373 8 I CB -1.878 36.061 38.000 -0.101 0.000 1.055 8 I HN 0.630 nan 8.210 nan 0.000 0.418 9 Y N 1.558 122.010 120.300 0.254 0.000 2.439 9 Y HA 0.053 4.602 4.550 -0.001 0.000 0.292 9 Y C 2.763 178.865 175.900 0.337 0.000 1.130 9 Y CA 0.608 58.872 58.100 0.272 0.000 1.254 9 Y CB -1.598 36.941 38.460 0.131 0.000 1.000 9 Y HN 0.630 nan 8.280 nan 0.000 0.554 10 D N -1.055 119.585 120.400 0.400 0.000 2.178 10 D HA -0.258 4.381 4.640 -0.001 0.000 0.202 10 D C 1.854 178.313 176.300 0.264 0.000 0.974 10 D CA 1.085 55.249 54.000 0.274 0.000 0.841 10 D CB -1.155 39.754 40.800 0.181 0.000 0.953 10 D HN 0.519 nan 8.370 nan 0.000 0.478 11 Y N -0.416 119.999 120.300 0.192 0.000 2.384 11 Y HA -0.142 4.408 4.550 -0.001 0.000 0.289 11 Y C 1.343 177.172 175.900 -0.119 0.000 1.152 11 Y CA 1.431 59.539 58.100 0.014 0.000 1.258 11 Y CB -0.225 38.212 38.460 -0.037 0.000 0.979 11 Y HN 0.376 nan 8.280 nan 0.000 0.549 12 Y N -0.870 119.495 120.300 0.108 0.000 2.466 12 Y HA 0.212 4.761 4.550 -0.001 0.000 0.272 12 Y C 0.288 176.154 175.900 -0.057 0.000 1.169 12 Y CA -0.397 57.693 58.100 -0.016 0.000 1.285 12 Y CB 0.120 38.623 38.460 0.071 0.000 1.078 12 Y HN -0.228 nan 8.280 nan 0.000 0.523 13 V N 1.213 121.177 119.914 0.082 0.000 2.439 13 V HA 0.222 4.341 4.120 -0.001 0.000 0.282 13 V C -0.497 175.607 176.094 0.017 0.000 1.039 13 V CA -0.470 61.893 62.300 0.105 0.000 0.913 13 V CB 1.536 33.428 31.823 0.115 0.000 0.983 13 V HN 0.087 nan 8.190 nan 0.000 0.460 14 D N 3.309 123.765 120.400 0.094 0.000 2.527 14 D HA 0.218 4.858 4.640 -0.001 0.000 0.242 14 D C 0.604 177.032 176.300 0.213 0.000 1.285 14 D CA -0.465 53.581 54.000 0.076 0.000 0.886 14 D CB 1.007 41.799 40.800 -0.013 0.000 1.402 14 D HN 0.475 nan 8.370 nan 0.000 0.528 15 K N 0.332 120.843 120.400 0.185 0.000 2.555 15 K HA 0.108 4.428 4.320 -0.001 0.000 0.193 15 K C 1.634 178.352 176.600 0.196 0.000 1.032 15 K CA 0.601 57.027 56.287 0.232 0.000 1.004 15 K CB 0.526 33.096 32.500 0.117 0.000 0.804 15 K HN 0.295 nan 8.250 nan 0.000 0.496 16 G N 0.097 108.990 108.800 0.156 0.000 2.838 16 G HA2 -0.130 3.830 3.960 -0.001 0.000 0.210 16 G HA3 -0.130 3.830 3.960 -0.001 0.000 0.210 16 G C -0.064 174.908 174.900 0.120 0.000 1.153 16 G CA -0.258 44.909 45.100 0.111 0.000 0.778 16 G HN 0.197 nan 8.290 nan 0.000 0.539 17 Y N 1.478 121.805 120.300 0.046 0.000 2.425 17 Y HA 0.426 4.975 4.550 -0.001 0.000 0.331 17 Y C -0.157 175.688 175.900 -0.092 0.000 1.157 17 Y CA -0.744 57.338 58.100 -0.031 0.000 1.372 17 Y CB 0.945 39.375 38.460 -0.050 0.000 1.253 17 Y HN 0.030 nan 8.280 nan 0.000 0.536 18 E N 7.821 127.531 120.200 -0.816 0.000 2.145 18 E HA 0.427 4.777 4.350 -0.001 0.000 0.270 18 E C -2.768 173.229 176.600 -1.006 0.000 0.906 18 E CA -2.743 53.261 56.400 -0.659 0.000 0.761 18 E CB 1.004 30.482 29.700 -0.370 0.000 1.116 18 E HN 0.346 nan 8.360 nan 0.000 0.408 19 P HA 0.116 nan 4.420 nan 0.000 0.275 19 P C -0.900 176.269 177.300 -0.219 0.000 1.228 19 P CA -0.478 62.382 63.100 -0.401 0.000 0.786 19 P CB 1.184 32.688 31.700 -0.326 0.000 0.927 20 S N 1.654 117.320 115.700 -0.057 0.000 2.430 20 S HA 0.136 4.605 4.470 -0.001 0.000 0.289 20 S C 1.044 175.703 174.600 0.099 0.000 1.143 20 S CA -0.553 57.656 58.200 0.015 0.000 1.067 20 S CB -0.082 63.159 63.200 0.068 0.000 0.964 20 S HN 0.238 nan 8.310 nan 0.000 0.485 21 K N 3.243 123.686 120.400 0.072 0.000 2.147 21 K HA -0.037 4.283 4.320 -0.001 0.000 0.205 21 K C 1.279 178.056 176.600 0.295 0.000 1.049 21 K CA 0.977 57.351 56.287 0.144 0.000 0.936 21 K CB 0.022 32.574 32.500 0.085 0.000 0.722 21 K HN 0.464 nan 8.250 nan 0.000 0.446 22 K N 0.305 120.831 120.400 0.210 0.000 2.379 22 K HA 0.065 4.384 4.320 -0.001 0.000 0.194 22 K C 1.431 178.182 176.600 0.252 0.000 1.031 22 K CA 0.571 56.975 56.287 0.195 0.000 1.037 22 K CB 0.498 33.074 32.500 0.127 0.000 0.824 22 K HN 0.173 nan 8.250 nan 0.000 0.516 23 R N -0.070 120.617 120.500 0.311 0.000 2.453 23 R HA 0.154 4.493 4.340 -0.001 0.000 0.233 23 R C -0.379 176.185 176.300 0.441 0.000 0.895 23 R CA -0.140 56.228 56.100 0.446 0.000 1.028 23 R CB 0.899 31.366 30.300 0.279 0.000 1.255 23 R HN -0.026 nan 8.270 nan 0.000 0.571 24 D N 1.046 121.674 120.400 0.380 0.000 2.217 24 D HA 0.252 4.891 4.640 -0.001 0.000 0.243 24 D C -0.550 176.041 176.300 0.484 0.000 1.054 24 D CA -0.485 53.745 54.000 0.383 0.000 0.838 24 D CB 1.931 42.913 40.800 0.303 0.000 1.162 24 D HN -0.164 nan 8.370 nan 0.000 0.472 25 I N 2.535 123.404 120.570 0.498 0.000 2.441 25 I HA 0.170 4.340 4.170 -0.001 0.000 0.287 25 I C 0.354 176.805 176.117 0.557 0.000 1.049 25 I CA -0.018 61.591 61.300 0.516 0.000 1.381 25 I CB 0.504 38.761 38.000 0.429 0.000 1.409 25 I HN 0.162 nan 8.210 nan 0.000 0.523 26 I N 6.053 126.945 120.570 0.535 0.000 2.389 26 I HA 0.571 4.741 4.170 -0.001 0.000 0.288 26 I C -0.124 176.176 176.117 0.305 0.000 0.999 26 I CA -0.671 60.897 61.300 0.446 0.000 1.129 26 I CB 1.559 39.778 38.000 0.365 0.000 1.288 26 I HN 0.610 nan 8.210 nan 0.000 0.444 27 A N 6.726 129.717 122.820 0.285 0.000 2.271 27 A HA 0.663 4.982 4.320 -0.001 0.000 0.317 27 A C -0.469 177.059 177.584 -0.093 0.000 1.245 27 A CA -0.479 51.560 52.037 0.003 0.000 0.857 27 A CB 0.855 19.848 19.000 -0.011 0.000 1.175 27 A HN 0.467 nan 8.150 nan 0.000 0.512 28 V N 3.901 123.704 119.914 -0.184 0.000 2.368 28 V HA 0.333 4.452 4.120 -0.001 0.000 0.266 28 V C -0.614 175.342 176.094 -0.231 0.000 1.045 28 V CA 0.115 62.342 62.300 -0.123 0.000 0.899 28 V CB -0.415 31.388 31.823 -0.033 0.000 1.006 28 V HN 0.689 nan 8.190 nan 0.000 0.470 29 F N 3.446 123.407 119.950 0.018 0.000 2.470 29 F HA 0.638 5.165 4.527 -0.001 0.000 0.329 29 F C 0.554 176.391 175.800 0.061 0.000 1.072 29 F CA -0.879 57.139 58.000 0.030 0.000 0.989 29 F CB 1.617 40.608 39.000 -0.016 0.000 1.193 29 F HN 0.279 nan 8.300 nan 0.000 0.481 30 R N 1.807 122.505 120.500 0.331 0.000 2.239 30 R HA 0.630 4.970 4.340 -0.001 0.000 0.332 30 R C -1.946 174.527 176.300 0.289 0.000 0.988 30 R CA -0.315 55.953 56.100 0.279 0.000 0.859 30 R CB 0.708 31.152 30.300 0.240 0.000 1.148 30 R HN 0.529 nan 8.270 nan 0.000 0.482 31 V N 3.785 123.859 119.914 0.267 0.000 2.398 31 V HA 0.365 4.484 4.120 -0.001 0.000 0.286 31 V C -0.132 176.118 176.094 0.260 0.000 1.026 31 V CA -0.515 61.906 62.300 0.201 0.000 0.868 31 V CB 1.920 33.798 31.823 0.093 0.000 0.982 31 V HN 0.739 nan 8.190 nan 0.000 0.443 32 T N 7.357 122.045 114.554 0.224 0.000 2.893 32 T HA 0.379 4.729 4.350 -0.001 0.000 0.324 32 T C -2.662 172.117 174.700 0.131 0.000 1.082 32 T CA -1.205 61.024 62.100 0.214 0.000 0.983 32 T CB 1.505 70.501 68.868 0.213 0.000 1.005 32 T HN 0.399 nan 8.240 nan 0.000 0.475 33 P HA 0.257 nan 4.420 nan 0.000 0.269 33 P C -0.627 176.737 177.300 0.106 0.000 1.209 33 P CA -0.405 62.743 63.100 0.081 0.000 0.776 33 P CB 0.426 32.176 31.700 0.084 0.000 0.876 34 A N 2.231 125.112 122.820 0.102 0.000 2.409 34 A HA 0.162 4.481 4.320 -0.001 0.000 0.262 34 A C 0.395 178.145 177.584 0.277 0.000 1.113 34 A CA -0.119 52.009 52.037 0.151 0.000 0.790 34 A CB -0.507 18.545 19.000 0.087 0.000 1.046 34 A HN 0.481 nan 8.150 nan 0.000 0.496 35 E N 1.252 121.552 120.200 0.167 0.000 2.829 35 E HA 0.217 4.567 4.350 -0.001 0.000 0.264 35 E C 1.339 177.997 176.600 0.096 0.000 0.922 35 E CA 1.998 58.468 56.400 0.115 0.000 0.960 35 E CB -0.086 29.656 29.700 0.069 0.000 0.918 35 E HN 1.642 nan 8.360 nan 0.000 0.497 36 G N 2.929 111.733 108.800 0.007 0.000 2.132 36 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.234 36 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.234 36 G C -0.575 174.106 174.900 -0.366 0.000 0.989 36 G CA 0.182 45.184 45.100 -0.163 0.000 0.676 36 G HN 0.406 nan 8.290 nan 0.000 0.522 37 Y N 0.948 121.254 120.300 0.010 0.000 2.361 37 Y HA 0.568 5.117 4.550 -0.001 0.000 0.337 37 Y C 0.998 176.881 175.900 -0.029 0.000 0.965 37 Y CA -0.226 57.874 58.100 0.000 0.000 1.091 37 Y CB 1.739 40.205 38.460 0.009 0.000 1.182 37 Y HN 0.329 nan 8.280 nan 0.000 0.450 38 T N -0.192 114.414 114.554 0.086 0.000 2.898 38 T HA 0.087 4.436 4.350 -0.001 0.000 0.301 38 T C 1.213 175.866 174.700 -0.079 0.000 1.049 38 T CA -0.495 61.586 62.100 -0.031 0.000 1.095 38 T CB 0.860 69.690 68.868 -0.064 0.000 0.976 38 T HN 0.625 nan 8.240 nan 0.000 0.539 39 I N 1.578 121.981 120.570 -0.279 0.000 2.118 39 I HA -0.141 4.028 4.170 -0.001 0.000 0.241 39 I C 2.224 178.271 176.117 -0.117 0.000 1.070 39 I CA 1.675 62.773 61.300 -0.337 0.000 1.327 39 I CB -0.921 36.546 38.000 -0.888 0.000 1.034 39 I HN 0.866 nan 8.210 nan 0.000 0.405 40 E N 0.200 120.295 120.200 -0.174 0.000 2.114 40 E HA -0.307 4.042 4.350 -0.001 0.000 0.199 40 E C 2.240 178.861 176.600 0.035 0.000 1.008 40 E CA 1.939 58.297 56.400 -0.070 0.000 0.810 40 E CB -0.376 29.211 29.700 -0.189 0.000 0.739 40 E HN 0.643 nan 8.360 nan 0.000 0.456 41 Q N -0.391 119.432 119.800 0.039 0.000 2.124 41 Q HA -0.127 4.213 4.340 -0.001 0.000 0.202 41 Q C 2.156 178.182 176.000 0.044 0.000 0.977 41 Q CA 1.313 57.184 55.803 0.113 0.000 0.850 41 Q CB -0.158 28.713 28.738 0.222 0.000 0.901 41 Q HN 0.342 nan 8.270 nan 0.000 0.429 42 A N 1.109 123.924 122.820 -0.008 0.000 1.832 42 A HA -0.084 4.236 4.320 -0.001 0.000 0.214 42 A C 2.333 179.845 177.584 -0.120 0.000 1.200 42 A CA 1.453 53.435 52.037 -0.092 0.000 0.610 42 A CB -1.158 17.800 19.000 -0.070 0.000 0.842 42 A HN 0.389 nan 8.150 nan 0.000 0.444 43 A N -0.442 122.351 122.820 -0.045 0.000 1.896 43 A HA -0.083 4.236 4.320 -0.001 0.000 0.220 43 A C 2.505 180.053 177.584 -0.059 0.000 1.206 43 A CA 2.609 54.617 52.037 -0.047 0.000 0.647 43 A CB -1.718 17.351 19.000 0.114 0.000 0.828 43 A HN 0.988 nan 8.150 nan 0.000 0.455 44 G N -0.808 108.009 108.800 0.029 0.000 2.476 44 G HA2 -0.093 3.867 3.960 -0.001 0.000 0.218 44 G HA3 -0.093 3.867 3.960 -0.001 0.000 0.218 44 G C 1.780 176.587 174.900 -0.156 0.000 1.164 44 G CA 1.887 47.029 45.100 0.071 0.000 0.768 44 G HN 1.002 nan 8.290 nan 0.000 0.560 45 A N -0.166 122.430 122.820 -0.373 0.000 1.902 45 A HA 0.098 4.417 4.320 -0.001 0.000 0.217 45 A C 2.626 179.824 177.584 -0.643 0.000 1.181 45 A CA 1.897 53.374 52.037 -0.933 0.000 0.623 45 A CB -0.577 17.939 19.000 -0.805 0.000 0.818 45 A HN 0.289 nan 8.150 nan 0.000 0.443 46 V N -0.280 119.375 119.914 -0.432 0.000 2.358 46 V HA -0.202 3.917 4.120 -0.001 0.000 0.246 46 V C 3.036 178.938 176.094 -0.321 0.000 1.047 46 V CA 1.870 63.923 62.300 -0.413 0.000 1.035 46 V CB -1.137 30.392 31.823 -0.490 0.000 0.658 46 V HN 0.606 nan 8.190 nan 0.000 0.452 47 A N -0.089 122.578 122.820 -0.256 0.000 1.898 47 A HA -0.053 4.267 4.320 -0.001 0.000 0.216 47 A C 2.408 179.801 177.584 -0.317 0.000 1.181 47 A CA 1.932 53.863 52.037 -0.177 0.000 0.620 47 A CB -0.704 18.253 19.000 -0.071 0.000 0.819 47 A HN 0.543 nan 8.150 nan 0.000 0.442 48 A N -0.349 122.088 122.820 -0.637 0.000 1.877 48 A HA -0.128 4.191 4.320 -0.001 0.000 0.216 48 A C 1.908 179.235 177.584 -0.428 0.000 1.186 48 A CA 1.608 52.987 52.037 -1.098 0.000 0.620 48 A CB -0.393 18.075 19.000 -0.888 0.000 0.822 48 A HN 0.432 nan 8.150 nan 0.000 0.443 49 E N 0.417 120.438 120.200 -0.298 0.000 2.285 49 E HA -0.067 4.282 4.350 -0.001 0.000 0.194 49 E C 1.833 178.400 176.600 -0.056 0.000 0.997 49 E CA 1.131 57.453 56.400 -0.131 0.000 0.845 49 E CB -0.232 29.371 29.700 -0.161 0.000 0.782 49 E HN 0.720 nan 8.360 nan 0.000 0.491 50 S N -0.570 115.108 115.700 -0.036 0.000 2.597 50 S HA 0.124 4.594 4.470 -0.001 0.000 0.224 50 S C 1.341 176.091 174.600 0.250 0.000 0.955 50 S CA 0.359 58.622 58.200 0.106 0.000 0.933 50 S CB 0.191 63.492 63.200 0.168 0.000 0.788 50 S HN 0.165 nan 8.310 nan 0.000 0.488 51 S N 1.490 117.273 115.700 0.138 0.000 3.830 51 S HA 0.216 4.686 4.470 -0.001 0.000 0.172 51 S C 1.156 175.810 174.600 0.091 0.000 0.966 51 S CA 0.553 58.844 58.200 0.152 0.000 1.124 51 S CB -0.105 63.181 63.200 0.144 0.000 1.697 51 S HN 0.537 nan 8.310 nan 0.000 0.872 52 T N -0.923 113.706 114.554 0.126 0.000 3.058 52 T HA 0.528 4.877 4.350 -0.001 0.000 0.278 52 T C 0.606 175.516 174.700 0.350 0.000 0.974 52 T CA 0.299 62.527 62.100 0.213 0.000 0.893 52 T CB 0.239 69.212 68.868 0.175 0.000 1.138 52 T HN 0.823 nan 8.240 nan 0.000 0.529 53 G N 0.037 108.970 108.800 0.221 0.000 2.432 53 G HA2 0.581 4.540 3.960 -0.001 0.000 0.331 53 G HA3 0.581 4.540 3.960 -0.001 0.000 0.331 53 G C -0.844 174.170 174.900 0.191 0.000 1.170 53 G CA -0.380 44.880 45.100 0.267 0.000 0.943 53 G HN 0.213 nan 8.290 nan 0.000 0.483 54 T N -0.690 113.980 114.554 0.194 0.000 2.678 54 T HA 0.443 4.792 4.350 -0.001 0.000 0.260 54 T C 0.788 175.572 174.700 0.139 0.000 0.932 54 T CA -0.457 61.767 62.100 0.208 0.000 1.043 54 T CB 0.701 69.625 68.868 0.095 0.000 1.413 54 T HN 0.663 nan 8.240 nan 0.000 0.568 55 W N 0.367 121.671 121.300 0.007 0.000 2.737 55 W HA 0.304 4.963 4.660 -0.001 0.000 0.262 55 W C 0.429 176.801 176.519 -0.246 0.000 1.282 55 W CA 0.223 57.450 57.345 -0.196 0.000 1.386 55 W CB -1.020 28.441 29.460 0.002 0.000 1.099 55 W HN 0.488 nan 8.180 nan 0.000 0.621 56 T N 1.845 115.848 114.554 -0.918 0.000 2.930 56 T HA 0.368 4.717 4.350 -0.001 0.000 0.290 56 T C 0.144 174.570 174.700 -0.458 0.000 1.052 56 T CA -0.074 61.529 62.100 -0.827 0.000 1.017 56 T CB 1.665 69.689 68.868 -1.406 0.000 1.137 56 T HN 0.041 nan 8.240 nan 0.000 0.511 57 T N 2.062 116.432 114.554 -0.306 0.000 2.932 57 T HA 0.512 4.861 4.350 -0.001 0.000 0.312 57 T C 0.094 174.694 174.700 -0.166 0.000 1.071 57 T CA -0.465 61.520 62.100 -0.192 0.000 1.128 57 T CB -0.030 68.757 68.868 -0.136 0.000 0.984 57 T HN 0.446 nan 8.240 nan 0.000 0.549 58 L N 1.403 122.562 121.223 -0.106 0.000 2.303 58 L HA 0.499 4.839 4.340 -0.001 0.000 0.266 58 L C -0.435 176.484 176.870 0.082 0.000 1.011 58 L CA -1.619 53.227 54.840 0.010 0.000 0.818 58 L CB 1.591 43.690 42.059 0.066 0.000 1.326 58 L HN 0.739 nan 8.230 nan 0.000 0.435 59 Y N 3.202 123.560 120.300 0.096 0.000 2.316 59 Y HA 0.268 4.818 4.550 -0.001 0.000 0.331 59 Y C -1.924 174.074 175.900 0.163 0.000 1.083 59 Y CA -2.021 56.139 58.100 0.100 0.000 1.206 59 Y CB 1.001 39.521 38.460 0.101 0.000 1.195 59 Y HN 0.232 nan 8.280 nan 0.000 0.497 60 P HA -0.046 nan 4.420 nan 0.000 0.266 60 P C -0.263 176.767 177.300 -0.450 0.000 1.419 60 P CA 0.426 63.124 63.100 -0.670 0.000 1.112 60 P CB -0.475 30.834 31.700 -0.651 0.000 1.438 61 W N 3.797 124.944 121.300 -0.255 0.000 2.714 61 W HA 0.186 4.846 4.660 -0.001 0.000 0.353 61 W C -0.992 175.561 176.519 0.057 0.000 0.999 61 W CA -0.637 56.730 57.345 0.038 0.000 1.629 61 W CB -0.717 28.916 29.460 0.289 0.000 1.106 61 W HN 0.126 nan 8.180 nan 0.000 0.545 62 Y N -0.245 119.683 120.300 -0.620 0.000 2.576 62 Y HA 0.621 5.171 4.550 -0.001 0.000 0.346 62 Y C -0.057 175.632 175.900 -0.352 0.000 1.018 62 Y CA -2.168 55.555 58.100 -0.629 0.000 1.050 62 Y CB 0.459 38.278 38.460 -1.068 0.000 1.280 62 Y HN -0.050 nan 8.280 nan 0.000 0.474 63 E N 1.697 121.830 120.200 -0.111 0.000 2.415 63 E HA -0.054 4.296 4.350 -0.001 0.000 0.260 63 E C 0.385 176.978 176.600 -0.012 0.000 1.016 63 E CA 0.018 56.365 56.400 -0.089 0.000 0.924 63 E CB 1.084 30.773 29.700 -0.018 0.000 0.961 63 E HN 0.841 nan 8.360 nan 0.000 0.459 64 Q N 3.563 123.290 119.800 -0.122 0.000 2.119 64 Q HA -0.193 4.147 4.340 -0.001 0.000 0.201 64 Q C 2.179 178.289 176.000 0.183 0.000 0.972 64 Q CA 2.430 58.225 55.803 -0.013 0.000 0.847 64 Q CB -0.091 28.564 28.738 -0.138 0.000 0.903 64 Q HN 0.769 nan 8.270 nan 0.000 0.433 65 E N 0.705 120.956 120.200 0.085 0.000 2.051 65 E HA -0.234 4.115 4.350 -0.001 0.000 0.192 65 E C 1.871 178.525 176.600 0.089 0.000 0.991 65 E CA 1.490 57.939 56.400 0.081 0.000 0.799 65 E CB -0.681 29.039 29.700 0.033 0.000 0.748 65 E HN 0.430 nan 8.360 nan 0.000 0.449 66 R N -1.394 119.161 120.500 0.091 0.000 2.083 66 R HA -0.152 4.188 4.340 -0.001 0.000 0.237 66 R C 2.342 178.688 176.300 0.076 0.000 1.137 66 R CA 2.009 58.150 56.100 0.068 0.000 0.951 66 R CB -0.580 29.755 30.300 0.059 0.000 0.851 66 R HN 0.677 nan 8.270 nan 0.000 0.434 67 W N 1.024 122.307 121.300 -0.028 0.000 2.317 67 W HA -0.248 4.411 4.660 -0.001 0.000 0.318 67 W C 2.041 178.527 176.519 -0.055 0.000 1.227 67 W CA 2.412 59.719 57.345 -0.062 0.000 1.269 67 W CB -0.574 28.884 29.460 -0.003 0.000 1.155 67 W HN 0.213 nan 8.180 nan 0.000 0.484 68 A N -0.021 122.728 122.820 -0.118 0.000 1.908 68 A HA -0.272 4.048 4.320 -0.001 0.000 0.218 68 A C 1.718 179.124 177.584 -0.296 0.000 1.181 68 A CA 2.320 54.129 52.037 -0.379 0.000 0.627 68 A CB -1.376 17.632 19.000 0.014 0.000 0.818 68 A HN 0.456 nan 8.150 nan 0.000 0.445 69 D N -0.411 119.897 120.400 -0.153 0.000 2.178 69 D HA -0.095 4.544 4.640 -0.001 0.000 0.201 69 D C 1.603 177.773 176.300 -0.216 0.000 0.980 69 D CA 1.112 55.043 54.000 -0.115 0.000 0.842 69 D CB -0.132 40.661 40.800 -0.011 0.000 0.948 69 D HN 0.448 nan 8.370 nan 0.000 0.472 70 L N -0.347 120.695 121.223 -0.302 0.000 2.554 70 L HA 0.191 4.530 4.340 -0.001 0.000 0.225 70 L C 0.686 177.339 176.870 -0.362 0.000 1.104 70 L CA -0.150 54.458 54.840 -0.387 0.000 0.866 70 L CB 0.070 41.920 42.059 -0.348 0.000 1.047 70 L HN -0.142 nan 8.230 nan 0.000 0.468 71 S N 0.988 116.436 115.700 -0.420 0.000 2.562 71 S HA 0.411 4.880 4.470 -0.001 0.000 0.281 71 S C 0.470 174.913 174.600 -0.260 0.000 1.333 71 S CA -0.549 57.452 58.200 -0.331 0.000 1.052 71 S CB 1.326 64.188 63.200 -0.563 0.000 0.884 71 S HN 0.271 nan 8.310 nan 0.000 0.506 72 A N 3.191 125.914 122.820 -0.163 0.000 2.287 72 A HA 0.549 4.869 4.320 -0.001 0.000 0.273 72 A C -0.081 177.340 177.584 -0.273 0.000 1.091 72 A CA -0.548 51.256 52.037 -0.387 0.000 0.817 72 A CB 0.379 18.873 19.000 -0.843 0.000 1.069 72 A HN 0.775 nan 8.150 nan 0.000 0.492 73 K N 0.665 120.855 120.400 -0.350 0.000 2.545 73 K HA 0.525 4.845 4.320 -0.001 0.000 0.252 73 K C -0.839 175.744 176.600 -0.028 0.000 0.948 73 K CA -0.388 55.764 56.287 -0.225 0.000 0.827 73 K CB 2.140 34.371 32.500 -0.449 0.000 1.128 73 K HN 0.741 nan 8.250 nan 0.000 0.429 74 A N 3.145 125.976 122.820 0.018 0.000 2.395 74 A HA 0.226 4.545 4.320 -0.001 0.000 0.286 74 A C 0.009 177.685 177.584 0.153 0.000 1.193 74 A CA -0.075 51.958 52.037 -0.006 0.000 0.852 74 A CB -0.552 18.430 19.000 -0.030 0.000 1.118 74 A HN 0.942 nan 8.150 nan 0.000 0.524 75 Y N 0.094 120.426 120.300 0.053 0.000 2.423 75 Y HA 0.500 5.050 4.550 -0.001 0.000 0.257 75 Y C -0.056 175.982 175.900 0.231 0.000 1.087 75 Y CA -0.418 57.800 58.100 0.196 0.000 1.258 75 Y CB 0.314 38.914 38.460 0.234 0.000 1.237 75 Y HN 0.454 nan 8.280 nan 0.000 0.517 76 D N 0.541 120.622 120.400 -0.533 0.000 2.649 76 D HA 0.459 5.098 4.640 -0.001 0.000 0.249 76 D C -1.844 174.280 176.300 -0.293 0.000 1.112 76 D CA -0.368 53.482 54.000 -0.250 0.000 0.850 76 D CB 1.319 41.865 40.800 -0.424 0.000 1.399 76 D HN 0.064 nan 8.370 nan 0.000 0.503 77 F N 2.021 122.010 119.950 0.064 0.000 2.518 77 F HA 0.355 4.881 4.527 -0.001 0.000 0.323 77 F C -0.459 175.523 175.800 0.302 0.000 1.129 77 F CA -1.014 57.120 58.000 0.223 0.000 0.920 77 F CB 1.887 41.035 39.000 0.247 0.000 1.160 77 F HN 0.349 nan 8.300 nan 0.000 0.440 78 H N 1.933 121.189 119.070 0.309 0.000 2.609 78 H HA 0.268 4.824 4.556 -0.001 0.000 0.344 78 H C -1.409 173.824 175.328 -0.160 0.000 1.040 78 H CA -0.740 55.344 56.048 0.060 0.000 1.216 78 H CB 1.341 31.068 29.762 -0.059 0.000 1.529 78 H HN 0.516 nan 8.280 nan 0.000 0.519 79 D N 5.210 124.963 120.400 -1.079 0.000 2.295 79 D HA 0.023 4.663 4.640 -0.001 0.000 0.248 79 D C 0.744 176.442 176.300 -1.002 0.000 1.154 79 D CA -0.284 52.829 54.000 -1.479 0.000 0.857 79 D CB 0.996 40.858 40.800 -1.564 0.000 1.117 79 D HN 0.603 nan 8.370 nan 0.000 0.468 80 M N 2.006 121.239 119.600 -0.612 0.000 2.506 80 M HA 0.121 4.601 4.480 -0.001 0.000 0.260 80 M C 1.308 177.481 176.300 -0.212 0.000 1.104 80 M CA 0.441 55.588 55.300 -0.255 0.000 1.112 80 M CB -0.783 31.796 32.600 -0.034 0.000 1.401 80 M HN 0.706 nan 8.290 nan 0.000 0.473 81 G N 2.934 111.553 108.800 -0.301 0.000 2.248 81 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.263 81 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.263 81 G C -0.243 174.625 174.900 -0.053 0.000 1.082 81 G CA 0.545 45.538 45.100 -0.178 0.000 0.863 81 G HN 0.614 nan 8.290 nan 0.000 0.495 82 D N -2.908 117.489 120.400 -0.005 0.000 2.583 82 D HA 0.409 5.048 4.640 -0.001 0.000 0.282 82 D C 1.513 177.867 176.300 0.089 0.000 1.485 82 D CA 1.072 55.109 54.000 0.061 0.000 0.834 82 D CB -0.435 40.440 40.800 0.124 0.000 1.258 82 D HN 1.544 nan 8.370 nan 0.000 0.470 83 G N 0.247 109.125 108.800 0.130 0.000 2.213 83 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.236 83 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.236 83 G C 0.275 175.374 174.900 0.333 0.000 0.991 83 G CA 0.227 45.452 45.100 0.209 0.000 0.629 83 G HN 1.132 nan 8.290 nan 0.000 0.517 84 S N -0.705 115.193 115.700 0.330 0.000 2.537 84 S HA 0.815 5.285 4.470 -0.001 0.000 0.301 84 S C -0.900 173.943 174.600 0.405 0.000 1.092 84 S CA -0.654 57.811 58.200 0.442 0.000 1.048 84 S CB 1.970 65.464 63.200 0.490 0.000 1.053 84 S HN 0.600 nan 8.310 nan 0.000 0.501 85 W N 1.302 122.689 121.300 0.145 0.000 2.819 85 W HA 0.542 5.201 4.660 -0.001 0.000 0.337 85 W C -0.756 175.825 176.519 0.102 0.000 1.077 85 W CA -1.319 56.095 57.345 0.115 0.000 1.226 85 W CB 1.100 30.638 29.460 0.130 0.000 1.419 85 W HN 0.465 nan 8.180 nan 0.000 0.502 86 I N 4.071 124.809 120.570 0.279 0.000 2.363 86 I HA 0.173 4.342 4.170 -0.001 0.000 0.292 86 I C -0.124 176.041 176.117 0.080 0.000 1.075 86 I CA -0.766 60.621 61.300 0.145 0.000 1.333 86 I CB -0.380 37.623 38.000 0.005 0.000 1.415 86 I HN 0.032 nan 8.210 nan 0.000 0.502 87 V N 7.903 127.818 119.914 0.001 0.000 2.417 87 V HA 0.446 4.565 4.120 -0.001 0.000 0.291 87 V C 0.422 176.397 176.094 -0.199 0.000 1.024 87 V CA -0.915 61.230 62.300 -0.259 0.000 0.861 87 V CB 1.836 33.446 31.823 -0.355 0.000 0.985 87 V HN 0.607 nan 8.190 nan 0.000 0.436 88 R N 5.041 125.295 120.500 -0.410 0.000 2.312 88 R HA 0.713 5.052 4.340 -0.001 0.000 0.311 88 R C -1.081 175.017 176.300 -0.338 0.000 1.004 88 R CA -0.468 55.415 56.100 -0.362 0.000 0.902 88 R CB 1.621 31.582 30.300 -0.565 0.000 1.073 88 R HN 0.588 nan 8.270 nan 0.000 0.457 89 I N 1.673 122.296 120.570 0.089 0.000 2.498 89 I HA 0.395 4.564 4.170 -0.001 0.000 0.290 89 I C -0.336 175.956 176.117 0.291 0.000 1.032 89 I CA -0.890 60.508 61.300 0.164 0.000 1.073 89 I CB 2.159 40.248 38.000 0.149 0.000 1.251 89 I HN 0.610 nan 8.210 nan 0.000 0.426 90 A N 6.424 129.339 122.820 0.159 0.000 2.304 90 A HA 0.784 5.103 4.320 -0.001 0.000 0.323 90 A C -1.472 176.033 177.584 -0.131 0.000 1.195 90 A CA -0.273 51.857 52.037 0.156 0.000 0.826 90 A CB 0.480 19.539 19.000 0.099 0.000 1.184 90 A HN 0.639 nan 8.150 nan 0.000 0.496 91 Y N 2.603 123.019 120.300 0.195 0.000 2.376 91 Y HA 0.473 5.023 4.550 -0.001 0.000 0.340 91 Y C -2.184 173.803 175.900 0.145 0.000 0.965 91 Y CA -2.602 55.594 58.100 0.161 0.000 1.078 91 Y CB 2.208 40.913 38.460 0.409 0.000 1.193 91 Y HN 0.500 nan 8.280 nan 0.000 0.452 92 P HA -0.023 nan 4.420 nan 0.000 0.276 92 P C 0.526 177.839 177.300 0.022 0.000 1.235 92 P CA -0.218 62.882 63.100 0.000 0.000 0.772 92 P CB 0.506 32.077 31.700 -0.214 0.000 0.871 93 F N 3.530 123.632 119.950 0.253 0.000 2.236 93 F HA -0.217 4.309 4.527 -0.001 0.000 0.302 93 F C 1.740 177.658 175.800 0.197 0.000 1.073 93 F CA 1.436 59.597 58.000 0.269 0.000 1.336 93 F CB -1.795 37.308 39.000 0.173 0.000 1.040 93 F HN 0.455 nan 8.300 nan 0.000 0.507 94 H N -0.415 118.388 119.070 -0.444 0.000 2.533 94 H HA 0.509 5.065 4.556 -0.001 0.000 0.271 94 H C 1.630 176.826 175.328 -0.220 0.000 1.000 94 H CA 0.526 56.425 56.048 -0.249 0.000 1.149 94 H CB -0.670 28.814 29.762 -0.463 0.000 1.375 94 H HN 0.407 nan 8.280 nan 0.000 0.582 95 A N 0.689 123.108 122.820 -0.669 0.000 2.067 95 A HA 0.156 4.476 4.320 -0.001 0.000 0.217 95 A C 0.149 177.346 177.584 -0.646 0.000 1.156 95 A CA 0.066 51.633 52.037 -0.784 0.000 0.683 95 A CB -0.268 18.106 19.000 -1.044 0.000 0.808 95 A HN 0.190 nan 8.150 nan 0.000 0.455 96 F N -0.160 119.776 119.950 -0.023 0.000 2.458 96 F HA 0.448 4.975 4.527 -0.001 0.000 0.330 96 F C 0.461 176.264 175.800 0.006 0.000 1.082 96 F CA -1.522 56.470 58.000 -0.013 0.000 0.995 96 F CB 0.823 39.803 39.000 -0.032 0.000 1.170 96 F HN 0.170 nan 8.300 nan 0.000 0.478 97 E N 1.784 122.089 120.200 0.174 0.000 2.414 97 E HA 0.011 4.361 4.350 -0.001 0.000 0.263 97 E C -0.542 176.095 176.600 0.061 0.000 1.000 97 E CA -0.324 56.130 56.400 0.091 0.000 0.914 97 E CB 0.483 30.215 29.700 0.053 0.000 0.948 97 E HN 0.606 nan 8.360 nan 0.000 0.444 98 E N 2.464 122.681 120.200 0.029 0.000 2.413 98 E HA 0.128 4.478 4.350 -0.001 0.000 0.263 98 E C 0.098 176.637 176.600 -0.102 0.000 1.015 98 E CA 0.561 56.937 56.400 -0.040 0.000 0.916 98 E CB 0.599 30.273 29.700 -0.043 0.000 0.947 98 E HN 0.742 nan 8.360 nan 0.000 0.440 99 A N 3.763 126.465 122.820 -0.197 0.000 2.687 99 A HA -0.220 4.100 4.320 -0.001 0.000 0.299 99 A C 0.048 177.524 177.584 -0.181 0.000 1.497 99 A CA 0.975 52.852 52.037 -0.266 0.000 0.751 99 A CB -1.587 17.275 19.000 -0.229 0.000 1.048 99 A HN 0.509 nan 8.150 nan 0.000 0.464 100 N N -0.370 118.241 118.700 -0.149 0.000 2.750 100 N HA 0.340 5.079 4.740 -0.001 0.000 0.253 100 N C 0.391 175.847 175.510 -0.089 0.000 1.408 100 N CA -0.177 52.823 53.050 -0.083 0.000 0.780 100 N CB 0.459 38.925 38.487 -0.035 0.000 1.191 100 N HN 0.410 nan 8.380 nan 0.000 0.511 101 L N 3.774 124.954 121.223 -0.072 0.000 2.079 101 L HA 0.170 4.510 4.340 -0.001 0.000 0.210 101 L C -1.047 175.749 176.870 -0.123 0.000 1.081 101 L CA 2.064 56.868 54.840 -0.061 0.000 0.752 101 L CB -0.825 41.288 42.059 0.089 0.000 0.896 101 L HN 0.325 nan 8.230 nan 0.000 0.433 102 P HA -0.077 nan 4.420 nan 0.000 0.216 102 P C 1.636 178.907 177.300 -0.049 0.000 1.153 102 P CA 1.737 64.820 63.100 -0.029 0.000 0.848 102 P CB -0.360 31.382 31.700 0.069 0.000 0.787 103 G N -0.148 108.633 108.800 -0.031 0.000 2.422 103 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.218 103 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.218 103 G C 1.484 176.361 174.900 -0.039 0.000 1.140 103 G CA 0.359 45.455 45.100 -0.007 0.000 0.775 103 G HN 0.280 nan 8.290 nan 0.000 0.545 104 L N -0.116 121.020 121.223 -0.146 0.000 2.109 104 L HA 0.185 4.524 4.340 -0.001 0.000 0.207 104 L C 2.631 179.328 176.870 -0.288 0.000 1.086 104 L CA 0.773 55.412 54.840 -0.336 0.000 0.760 104 L CB -0.112 41.647 42.059 -0.500 0.000 0.910 104 L HN 0.158 nan 8.230 nan 0.000 0.437 105 L N 0.002 121.078 121.223 -0.246 0.000 2.141 105 L HA -0.139 4.200 4.340 -0.001 0.000 0.209 105 L C 2.768 179.573 176.870 -0.108 0.000 1.094 105 L CA 0.909 55.608 54.840 -0.235 0.000 0.763 105 L CB -0.797 41.035 42.059 -0.379 0.000 0.908 105 L HN 0.352 nan 8.230 nan 0.000 0.437 106 A N -1.259 121.523 122.820 -0.063 0.000 2.125 106 A HA -0.154 4.166 4.320 -0.001 0.000 0.219 106 A C 2.448 180.045 177.584 0.022 0.000 1.156 106 A CA 1.943 53.982 52.037 0.004 0.000 0.671 106 A CB -0.261 18.754 19.000 0.025 0.000 0.794 106 A HN 0.363 nan 8.150 nan 0.000 0.459 107 S N -0.952 114.748 115.700 -0.000 0.000 2.433 107 S HA 0.198 4.667 4.470 -0.001 0.000 0.216 107 S C 1.499 176.093 174.600 -0.010 0.000 1.031 107 S CA 0.595 58.819 58.200 0.041 0.000 0.931 107 S CB -0.202 63.090 63.200 0.155 0.000 0.875 107 S HN 0.491 nan 8.310 nan 0.000 0.553 108 I N 1.295 121.798 120.570 -0.112 0.000 3.564 108 I HA 0.139 4.308 4.170 -0.001 0.000 0.294 108 I C 0.830 176.988 176.117 0.068 0.000 1.289 108 I CA 0.356 61.616 61.300 -0.067 0.000 1.325 108 I CB 0.082 37.940 38.000 -0.238 0.000 1.039 108 I HN 0.223 nan 8.210 nan 0.000 0.474 109 A N 0.197 123.043 122.820 0.043 0.000 2.758 109 A HA 0.601 4.920 4.320 -0.001 0.000 0.223 109 A C 0.496 178.240 177.584 0.266 0.000 0.877 109 A CA -0.009 52.148 52.037 0.201 0.000 1.152 109 A CB -0.523 18.597 19.000 0.200 0.000 1.239 109 A HN 0.306 nan 8.150 nan 0.000 0.470 110 G N 0.155 109.028 108.800 0.121 0.000 3.441 110 G HA2 0.285 4.245 3.960 -0.001 0.000 0.195 110 G HA3 0.285 4.245 3.960 -0.001 0.000 0.195 110 G C 0.711 175.699 174.900 0.147 0.000 1.633 110 G CA 0.260 45.443 45.100 0.137 0.000 0.895 110 G HN 0.176 nan 8.290 nan 0.000 0.654 111 N N 1.210 119.955 118.700 0.075 0.000 2.258 111 N HA -0.135 4.604 4.740 -0.001 0.000 0.187 111 N C 2.334 177.855 175.510 0.017 0.000 1.012 111 N CA 1.265 54.353 53.050 0.062 0.000 0.870 111 N CB -0.476 38.036 38.487 0.043 0.000 0.977 111 N HN 0.594 nan 8.380 nan 0.000 0.434 112 I N -2.857 117.656 120.570 -0.096 0.000 2.423 112 I HA -0.211 3.958 4.170 -0.001 0.000 0.254 112 I C 1.272 177.272 176.117 -0.195 0.000 1.151 112 I CA 1.290 62.451 61.300 -0.232 0.000 1.421 112 I CB -0.730 37.017 38.000 -0.423 0.000 1.079 112 I HN -0.177 nan 8.210 nan 0.000 0.431 113 F N 2.388 122.333 119.950 -0.008 0.000 2.451 113 F HA 0.057 4.583 4.527 -0.001 0.000 0.299 113 F C 2.375 178.263 175.800 0.146 0.000 1.101 113 F CA 1.288 59.321 58.000 0.054 0.000 1.436 113 F CB -0.430 38.582 39.000 0.020 0.000 1.074 113 F HN 0.174 nan 8.300 nan 0.000 0.553 114 G N -1.078 107.852 108.800 0.216 0.000 3.453 114 G HA2 0.203 4.162 3.960 -0.001 0.000 0.263 114 G HA3 0.203 4.162 3.960 -0.001 0.000 0.263 114 G C 0.496 175.431 174.900 0.058 0.000 1.060 114 G CA -0.344 44.842 45.100 0.143 0.000 0.793 114 G HN 0.039 nan 8.290 nan 0.000 0.532 115 M N 1.007 120.617 119.600 0.018 0.000 2.246 115 M HA 0.159 4.638 4.480 -0.001 0.000 0.350 115 M C 1.316 177.590 176.300 -0.044 0.000 1.406 115 M CA 0.122 55.397 55.300 -0.041 0.000 1.089 115 M CB 1.280 33.812 32.600 -0.114 0.000 1.782 115 M HN 0.028 nan 8.290 nan 0.000 0.457 116 K N 1.699 122.068 120.400 -0.051 0.000 2.063 116 K HA -0.220 4.099 4.320 -0.001 0.000 0.208 116 K C 1.812 178.344 176.600 -0.113 0.000 1.048 116 K CA 1.561 57.816 56.287 -0.054 0.000 0.928 116 K CB -0.112 32.363 32.500 -0.042 0.000 0.713 116 K HN 0.455 nan 8.250 nan 0.000 0.442 117 R N 0.802 121.179 120.500 -0.205 0.000 2.185 117 R HA -0.100 4.240 4.340 -0.001 0.000 0.247 117 R C 0.309 176.444 176.300 -0.276 0.000 1.159 117 R CA 0.912 56.765 56.100 -0.411 0.000 0.988 117 R CB -0.074 29.990 30.300 -0.392 0.000 0.871 117 R HN 0.020 nan 8.270 nan 0.000 0.458 118 V N 0.138 119.969 119.914 -0.137 0.000 2.628 118 V HA 0.227 4.346 4.120 -0.001 0.000 0.306 118 V C 0.493 176.594 176.094 0.012 0.000 1.045 118 V CA -0.771 61.498 62.300 -0.052 0.000 0.905 118 V CB 1.879 33.676 31.823 -0.043 0.000 0.997 118 V HN 0.294 nan 8.190 nan 0.000 0.436 119 K N 4.024 124.452 120.400 0.048 0.000 2.284 119 K HA 0.389 4.708 4.320 -0.001 0.000 0.198 119 K C 0.503 177.151 176.600 0.081 0.000 1.048 119 K CA 0.954 57.271 56.287 0.050 0.000 0.987 119 K CB 0.388 32.920 32.500 0.054 0.000 0.800 119 K HN 0.855 nan 8.250 nan 0.000 0.486 120 G N 1.062 109.968 108.800 0.176 0.000 2.759 120 G HA2 0.494 4.454 3.960 -0.001 0.000 0.297 120 G HA3 0.494 4.454 3.960 -0.001 0.000 0.297 120 G C -2.415 172.717 174.900 0.387 0.000 1.434 120 G CA -0.643 44.669 45.100 0.353 0.000 0.980 120 G HN 0.065 nan 8.290 nan 0.000 0.531 121 L N 1.309 122.852 121.223 0.533 0.000 2.482 121 L HA 0.826 5.165 4.340 -0.001 0.000 0.269 121 L C -0.406 176.644 176.870 0.299 0.000 0.967 121 L CA -0.835 54.159 54.840 0.257 0.000 0.851 121 L CB 1.905 43.960 42.059 -0.007 0.000 1.242 121 L HN 0.673 nan 8.230 nan 0.000 0.404 122 R N 4.372 125.081 120.500 0.348 0.000 2.480 122 R HA 0.652 4.992 4.340 -0.001 0.000 0.306 122 R C -1.608 174.911 176.300 0.365 0.000 0.958 122 R CA -0.745 55.565 56.100 0.349 0.000 0.861 122 R CB 1.433 31.875 30.300 0.237 0.000 1.171 122 R HN 0.646 nan 8.270 nan 0.000 0.445 123 L N 4.692 126.108 121.223 0.322 0.000 2.325 123 L HA 0.247 4.586 4.340 -0.001 0.000 0.284 123 L C 0.333 177.204 176.870 0.002 0.000 1.089 123 L CA 0.639 55.463 54.840 -0.026 0.000 0.836 123 L CB 0.948 42.999 42.059 -0.013 0.000 1.184 123 L HN 0.823 nan 8.230 nan 0.000 0.444 124 E N 2.340 122.517 120.200 -0.038 0.000 2.216 124 E HA 0.097 4.446 4.350 -0.001 0.000 0.192 124 E C -0.164 176.516 176.600 0.134 0.000 0.973 124 E CA 0.381 56.819 56.400 0.063 0.000 0.851 124 E CB 0.507 30.268 29.700 0.101 0.000 0.804 124 E HN 0.675 nan 8.360 nan 0.000 0.477 125 D N -0.730 119.699 120.400 0.047 0.000 2.599 125 D HA 0.368 5.007 4.640 -0.001 0.000 0.252 125 D C -1.884 174.390 176.300 -0.042 0.000 1.232 125 D CA -0.729 53.353 54.000 0.136 0.000 0.819 125 D CB 1.821 42.771 40.800 0.250 0.000 1.401 125 D HN -0.129 nan 8.370 nan 0.000 0.429 126 L N 3.072 124.250 121.223 -0.076 0.000 2.555 126 L HA 0.385 4.724 4.340 -0.001 0.000 0.264 126 L C -1.834 174.886 176.870 -0.249 0.000 0.972 126 L CA -0.629 54.088 54.840 -0.206 0.000 0.876 126 L CB 1.048 42.868 42.059 -0.398 0.000 1.216 126 L HN 0.421 nan 8.230 nan 0.000 0.415 127 Y N 5.108 125.342 120.300 -0.111 0.000 2.336 127 Y HA 0.633 5.183 4.550 -0.001 0.000 0.335 127 Y C -1.244 174.744 175.900 0.146 0.000 1.046 127 Y CA -0.233 57.846 58.100 -0.035 0.000 1.198 127 Y CB 0.671 39.184 38.460 0.088 0.000 1.182 127 Y HN 0.418 nan 8.280 nan 0.000 0.502 128 F N 7.920 127.386 119.950 -0.808 0.000 2.444 128 F HA 0.437 4.963 4.527 -0.001 0.000 0.342 128 F C -2.167 173.097 175.800 -0.894 0.000 1.121 128 F CA -3.543 54.084 58.000 -0.621 0.000 0.997 128 F CB 1.214 40.002 39.000 -0.353 0.000 1.130 128 F HN 0.438 nan 8.300 nan 0.000 0.454 129 P HA 0.036 nan 4.420 nan 0.000 0.272 129 P C 0.777 178.024 177.300 -0.089 0.000 1.230 129 P CA -0.070 62.982 63.100 -0.080 0.000 0.788 129 P CB 1.048 32.827 31.700 0.132 0.000 0.949 130 E N 1.741 121.922 120.200 -0.030 0.000 2.169 130 E HA -0.302 4.048 4.350 -0.001 0.000 0.202 130 E C 1.780 178.232 176.600 -0.246 0.000 1.016 130 E CA 1.806 58.097 56.400 -0.180 0.000 0.817 130 E CB -0.104 29.363 29.700 -0.387 0.000 0.736 130 E HN 0.381 nan 8.360 nan 0.000 0.462 131 K N -0.180 120.071 120.400 -0.249 0.000 2.032 131 K HA -0.193 4.127 4.320 -0.001 0.000 0.209 131 K C 2.143 178.564 176.600 -0.297 0.000 1.048 131 K CA 1.424 57.512 56.287 -0.332 0.000 0.927 131 K CB -0.072 32.100 32.500 -0.545 0.000 0.712 131 K HN 0.104 nan 8.250 nan 0.000 0.441 132 L N 1.115 122.171 121.223 -0.278 0.000 2.093 132 L HA -0.146 4.193 4.340 -0.001 0.000 0.208 132 L C 2.165 178.998 176.870 -0.060 0.000 1.085 132 L CA 1.047 55.716 54.840 -0.285 0.000 0.755 132 L CB -0.392 41.348 42.059 -0.531 0.000 0.904 132 L HN 0.250 nan 8.230 nan 0.000 0.435 133 I N -0.203 120.378 120.570 0.019 0.000 2.118 133 I HA -0.331 3.838 4.170 -0.001 0.000 0.241 133 I C 2.342 178.547 176.117 0.146 0.000 1.070 133 I CA 1.563 62.961 61.300 0.163 0.000 1.327 133 I CB -0.982 37.074 38.000 0.093 0.000 1.034 133 I HN 0.330 nan 8.210 nan 0.000 0.405 134 R N 0.531 121.011 120.500 -0.033 0.000 2.357 134 R HA -0.100 4.239 4.340 -0.001 0.000 0.202 134 R C 1.511 177.763 176.300 -0.080 0.000 1.047 134 R CA 0.342 56.404 56.100 -0.063 0.000 1.034 134 R CB -0.134 30.075 30.300 -0.153 0.000 0.875 134 R HN 0.515 nan 8.270 nan 0.000 0.473 135 E N -0.544 119.580 120.200 -0.128 0.000 2.489 135 E HA 0.027 4.376 4.350 -0.001 0.000 0.193 135 E C -0.489 175.870 176.600 -0.402 0.000 1.057 135 E CA 0.214 56.438 56.400 -0.292 0.000 0.866 135 E CB 0.312 29.752 29.700 -0.433 0.000 0.916 135 E HN 0.079 nan 8.360 nan 0.000 0.500 136 F N -0.260 119.670 119.950 -0.034 0.000 2.523 136 F HA 0.222 4.749 4.527 -0.001 0.000 0.329 136 F C 1.249 177.056 175.800 0.011 0.000 1.061 136 F CA -0.842 57.162 58.000 0.007 0.000 0.967 136 F CB 1.287 40.313 39.000 0.044 0.000 1.218 136 F HN -0.225 nan 8.300 nan 0.000 0.480 137 D N 0.543 121.075 120.400 0.220 0.000 2.338 137 D HA 0.203 4.843 4.640 -0.001 0.000 0.208 137 D C 1.153 177.526 176.300 0.121 0.000 0.997 137 D CA 1.159 55.232 54.000 0.122 0.000 0.880 137 D CB 0.389 41.233 40.800 0.072 0.000 0.980 137 D HN 0.732 nan 8.370 nan 0.000 0.509 138 G N 1.640 110.534 108.800 0.156 0.000 2.804 138 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.230 138 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.230 138 G C -2.651 172.289 174.900 0.066 0.000 1.386 138 G CA -0.987 44.172 45.100 0.099 0.000 0.875 138 G HN -0.017 nan 8.290 nan 0.000 0.557 139 P HA 0.390 nan 4.420 nan 0.000 0.265 139 P C 0.787 178.109 177.300 0.037 0.000 1.193 139 P CA 0.917 64.047 63.100 0.049 0.000 0.765 139 P CB 0.904 32.623 31.700 0.032 0.000 0.823 140 A N 2.396 125.248 122.820 0.054 0.000 2.016 140 A HA -0.052 4.267 4.320 -0.001 0.000 0.217 140 A C 1.294 178.752 177.584 -0.210 0.000 1.162 140 A CA 1.380 53.376 52.037 -0.069 0.000 0.662 140 A CB -0.995 17.966 19.000 -0.065 0.000 0.812 140 A HN 0.503 nan 8.150 nan 0.000 0.450 141 F N -1.257 118.678 119.950 -0.025 0.000 2.479 141 F HA 0.421 4.947 4.527 -0.001 0.000 0.280 141 F C 1.775 177.561 175.800 -0.024 0.000 0.982 141 F CA 0.698 58.686 58.000 -0.021 0.000 1.276 141 F CB -0.526 38.458 39.000 -0.026 0.000 1.137 141 F HN 0.438 nan 8.300 nan 0.000 0.660 142 G N 1.268 110.176 108.800 0.179 0.000 2.752 142 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.234 142 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.234 142 G C 0.721 175.627 174.900 0.010 0.000 1.367 142 G CA -0.005 45.121 45.100 0.044 0.000 0.879 142 G HN 0.261 nan 8.290 nan 0.000 0.563 143 I N 0.191 120.637 120.570 -0.206 0.000 2.179 143 I HA -0.153 4.016 4.170 -0.001 0.000 0.242 143 I C 2.681 178.697 176.117 -0.169 0.000 1.088 143 I CA 2.229 63.233 61.300 -0.494 0.000 1.357 143 I CB -0.344 37.184 38.000 -0.787 0.000 1.051 143 I HN 0.838 nan 8.210 nan 0.000 0.409 144 E N 1.125 121.265 120.200 -0.101 0.000 2.049 144 E HA -0.251 4.098 4.350 -0.001 0.000 0.198 144 E C 2.235 178.875 176.600 0.067 0.000 1.007 144 E CA 1.751 58.140 56.400 -0.018 0.000 0.809 144 E CB -0.308 29.378 29.700 -0.023 0.000 0.749 144 E HN 0.527 nan 8.360 nan 0.000 0.450 145 G N 0.270 109.141 108.800 0.118 0.000 2.418 145 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.217 145 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.217 145 G C 1.661 176.744 174.900 0.306 0.000 1.158 145 G CA 0.968 46.219 45.100 0.251 0.000 0.771 145 G HN 0.253 nan 8.290 nan 0.000 0.545 146 V N 0.634 120.711 119.914 0.271 0.000 2.307 146 V HA -0.134 3.985 4.120 -0.001 0.000 0.245 146 V C 2.890 179.142 176.094 0.263 0.000 1.045 146 V CA 1.818 64.278 62.300 0.267 0.000 1.024 146 V CB -0.495 31.566 31.823 0.396 0.000 0.651 146 V HN 0.288 nan 8.190 nan 0.000 0.449 147 R N 0.042 120.703 120.500 0.269 0.000 2.105 147 R HA -0.228 4.111 4.340 -0.001 0.000 0.239 147 R C 2.422 178.814 176.300 0.153 0.000 1.135 147 R CA 1.797 58.027 56.100 0.216 0.000 0.967 147 R CB -0.334 30.067 30.300 0.168 0.000 0.861 147 R HN 0.481 nan 8.270 nan 0.000 0.442 148 K N 0.930 121.414 120.400 0.140 0.000 2.057 148 K HA -0.128 4.192 4.320 -0.001 0.000 0.206 148 K C 2.223 178.897 176.600 0.124 0.000 1.050 148 K CA 1.238 57.594 56.287 0.116 0.000 0.935 148 K CB -0.037 32.526 32.500 0.105 0.000 0.715 148 K HN 0.088 nan 8.250 nan 0.000 0.439 149 M N 0.628 120.319 119.600 0.151 0.000 2.065 149 M HA -0.177 4.303 4.480 -0.001 0.000 0.259 149 M C 1.487 177.860 176.300 0.122 0.000 1.069 149 M CA 1.739 57.120 55.300 0.136 0.000 1.110 149 M CB -0.077 32.596 32.600 0.121 0.000 1.328 149 M HN 0.155 nan 8.290 nan 0.000 0.405 150 L N -0.018 121.288 121.223 0.138 0.000 2.492 150 L HA 0.086 4.425 4.340 -0.001 0.000 0.223 150 L C 0.237 177.167 176.870 0.100 0.000 1.132 150 L CA 0.259 55.173 54.840 0.123 0.000 0.850 150 L CB -0.449 41.694 42.059 0.141 0.000 0.966 150 L HN 0.436 nan 8.230 nan 0.000 0.454 151 E N 0.662 120.924 120.200 0.102 0.000 2.340 151 E HA -0.206 4.143 4.350 -0.001 0.000 0.240 151 E C -0.366 176.282 176.600 0.080 0.000 1.154 151 E CA 0.220 56.670 56.400 0.083 0.000 0.717 151 E CB -1.535 28.205 29.700 0.066 0.000 1.250 151 E HN 0.463 nan 8.360 nan 0.000 0.386 152 I N -0.397 120.233 120.570 0.100 0.000 2.390 152 I HA 0.211 4.380 4.170 -0.001 0.000 0.283 152 I C 1.280 177.460 176.117 0.105 0.000 1.016 152 I CA -0.042 61.316 61.300 0.097 0.000 1.151 152 I CB 1.111 39.176 38.000 0.108 0.000 1.293 152 I HN 0.175 nan 8.210 nan 0.000 0.458 153 K N 3.782 124.229 120.400 0.078 0.000 2.021 153 K HA -0.033 4.286 4.320 -0.001 0.000 0.205 153 K C 1.164 177.806 176.600 0.069 0.000 1.047 153 K CA 1.452 57.780 56.287 0.068 0.000 0.943 153 K CB -0.176 32.353 32.500 0.048 0.000 0.725 153 K HN 0.586 nan 8.250 nan 0.000 0.439 154 D N -0.649 119.787 120.400 0.060 0.000 2.735 154 D HA 0.050 4.689 4.640 -0.001 0.000 0.267 154 D C 0.819 177.157 176.300 0.063 0.000 1.081 154 D CA 0.230 54.261 54.000 0.051 0.000 0.980 154 D CB -0.238 40.580 40.800 0.030 0.000 1.129 154 D HN 0.542 nan 8.370 nan 0.000 0.459 155 R N 2.009 122.540 120.500 0.052 0.000 2.811 155 R HA 0.209 4.549 4.340 -0.001 0.000 0.265 155 R C -2.497 173.851 176.300 0.079 0.000 1.026 155 R CA -0.879 55.248 56.100 0.044 0.000 1.142 155 R CB -0.833 29.480 30.300 0.022 0.000 1.027 155 R HN -0.098 nan 8.270 nan 0.000 0.465 156 P HA 0.011 nan 4.420 nan 0.000 0.271 156 P C -0.398 176.940 177.300 0.063 0.000 1.233 156 P CA -0.199 62.947 63.100 0.077 0.000 0.789 156 P CB 0.371 32.097 31.700 0.043 0.000 0.951 157 I N 1.185 121.760 120.570 0.010 0.000 2.396 157 I HA 0.209 4.379 4.170 -0.001 0.000 0.292 157 I C -0.143 176.057 176.117 0.138 0.000 0.999 157 I CA -0.550 60.776 61.300 0.044 0.000 1.310 157 I CB -0.162 37.797 38.000 -0.068 0.000 1.404 157 I HN 0.393 nan 8.210 nan 0.000 0.496 158 Y N 4.803 125.083 120.300 -0.033 0.000 2.350 158 Y HA 0.756 5.305 4.550 -0.001 0.000 0.338 158 Y C -0.227 175.320 175.900 -0.588 0.000 0.961 158 Y CA -0.733 57.262 58.100 -0.174 0.000 1.100 158 Y CB 1.631 39.992 38.460 -0.166 0.000 1.179 158 Y HN 0.676 nan 8.280 nan 0.000 0.454 159 G N 3.149 111.025 108.800 -1.540 0.000 2.733 159 G HA2 0.650 4.610 3.960 -0.001 0.000 0.288 159 G HA3 0.650 4.610 3.960 -0.001 0.000 0.288 159 G C -2.240 171.859 174.900 -1.334 0.000 1.373 159 G CA -1.035 42.435 45.100 -2.716 0.000 0.895 159 G HN 0.610 nan 8.290 nan 0.000 0.479 160 V N 0.025 119.388 119.914 -0.918 0.000 2.623 160 V HA 0.443 4.562 4.120 -0.001 0.000 0.304 160 V C -0.455 175.550 176.094 -0.149 0.000 1.054 160 V CA -0.730 61.326 62.300 -0.406 0.000 0.882 160 V CB 1.763 33.365 31.823 -0.368 0.000 1.002 160 V HN 0.565 nan 8.190 nan 0.000 0.424 161 V N 6.962 126.857 119.914 -0.032 0.000 2.334 161 V HA 0.310 4.429 4.120 -0.001 0.000 0.267 161 V C -2.169 173.946 176.094 0.034 0.000 1.040 161 V CA -1.893 60.439 62.300 0.053 0.000 0.866 161 V CB 1.427 33.309 31.823 0.099 0.000 1.019 161 V HN 0.739 nan 8.190 nan 0.000 0.468 162 P HA 0.055 nan 4.420 nan 0.000 0.263 162 P C -0.565 176.715 177.300 -0.033 0.000 1.175 162 P CA 0.362 63.418 63.100 -0.074 0.000 0.761 162 P CB 0.372 31.940 31.700 -0.221 0.000 0.794 163 K N 3.293 123.660 120.400 -0.054 0.000 2.427 163 K HA 0.440 4.760 4.320 -0.001 0.000 0.252 163 K C -2.353 174.244 176.600 -0.005 0.000 0.931 163 K CA -1.934 54.361 56.287 0.013 0.000 0.793 163 K CB 1.120 33.639 32.500 0.032 0.000 1.211 163 K HN 0.326 nan 8.250 nan 0.000 0.426 164 P HA 0.101 nan 4.420 nan 0.000 0.268 164 P C 0.335 177.742 177.300 0.178 0.000 1.208 164 P CA -0.148 63.012 63.100 0.100 0.000 0.777 164 P CB 0.937 32.694 31.700 0.096 0.000 0.875 165 K N 0.139 120.620 120.400 0.135 0.000 2.034 165 K HA -0.083 4.236 4.320 -0.001 0.000 0.214 165 K C 1.049 177.766 176.600 0.195 0.000 1.051 165 K CA 1.741 58.116 56.287 0.146 0.000 0.931 165 K CB -0.478 32.070 32.500 0.080 0.000 0.715 165 K HN 0.537 nan 8.250 nan 0.000 0.446 166 V N -5.595 114.386 119.914 0.111 0.000 3.114 166 V HA 0.776 4.895 4.120 -0.001 0.000 0.308 166 V C 0.149 176.174 176.094 -0.115 0.000 1.168 166 V CA -0.317 61.986 62.300 0.005 0.000 1.015 166 V CB 1.752 33.600 31.823 0.042 0.000 1.050 166 V HN 0.432 nan 8.190 nan 0.000 0.433 167 G N 1.092 109.677 108.800 -0.359 0.000 2.198 167 G HA2 -0.087 3.873 3.960 -0.001 0.000 0.156 167 G HA3 -0.087 3.873 3.960 -0.001 0.000 0.156 167 G C -0.443 174.343 174.900 -0.190 0.000 1.012 167 G CA 0.133 44.951 45.100 -0.469 0.000 0.692 167 G HN 2.199 nan 8.290 nan 0.000 0.492 168 Y N 1.137 121.388 120.300 -0.082 0.000 2.528 168 Y HA 0.848 5.398 4.550 -0.000 0.000 0.335 168 Y C 0.374 176.297 175.900 0.037 0.000 1.093 168 Y CA -1.041 57.053 58.100 -0.009 0.000 1.134 168 Y CB 1.234 39.714 38.460 0.033 0.000 1.253 168 Y HN 0.476 nan 8.280 nan 0.000 0.478 169 S N 0.129 115.945 115.700 0.193 0.000 2.690 169 S HA 0.480 4.950 4.470 -0.001 0.000 0.291 169 S C -2.304 172.410 174.600 0.190 0.000 1.138 169 S CA -1.557 56.704 58.200 0.102 0.000 1.013 169 S CB 1.810 65.066 63.200 0.093 0.000 1.053 169 S HN 0.555 nan 8.310 nan 0.000 0.539 170 P HA -0.044 nan 4.420 nan 0.000 0.216 170 P C 0.860 178.261 177.300 0.167 0.000 1.150 170 P CA 1.182 64.359 63.100 0.128 0.000 0.837 170 P CB 0.013 31.724 31.700 0.019 0.000 0.786 171 E N -0.157 120.106 120.200 0.105 0.000 2.072 171 E HA -0.166 4.184 4.350 -0.001 0.000 0.191 171 E C 1.949 178.591 176.600 0.070 0.000 0.985 171 E CA 1.139 57.578 56.400 0.065 0.000 0.801 171 E CB -0.655 29.072 29.700 0.045 0.000 0.750 171 E HN 0.394 nan 8.360 nan 0.000 0.452 172 E N -0.137 120.133 120.200 0.116 0.000 2.072 172 E HA -0.167 4.183 4.350 -0.001 0.000 0.191 172 E C 1.760 178.419 176.600 0.098 0.000 0.985 172 E CA 0.867 57.328 56.400 0.102 0.000 0.801 172 E CB -0.214 29.570 29.700 0.141 0.000 0.750 172 E HN 0.226 nan 8.360 nan 0.000 0.452 173 F N 2.220 122.203 119.950 0.056 0.000 2.216 173 F HA -0.192 4.335 4.527 -0.001 0.000 0.300 173 F C 2.171 177.930 175.800 -0.069 0.000 1.085 173 F CA 1.693 59.688 58.000 -0.008 0.000 1.326 173 F CB -0.024 39.058 39.000 0.136 0.000 1.027 173 F HN -0.048 nan 8.300 nan 0.000 0.497 174 E N 0.388 120.505 120.200 -0.138 0.000 2.058 174 E HA -0.320 4.030 4.350 -0.001 0.000 0.194 174 E C 2.228 178.684 176.600 -0.240 0.000 0.997 174 E CA 1.562 57.816 56.400 -0.244 0.000 0.801 174 E CB -0.203 29.437 29.700 -0.100 0.000 0.746 174 E HN 0.261 nan 8.360 nan 0.000 0.450 175 K N 0.635 120.945 120.400 -0.151 0.000 2.026 175 K HA -0.164 4.156 4.320 -0.001 0.000 0.208 175 K C 2.096 178.628 176.600 -0.113 0.000 1.048 175 K CA 1.242 57.471 56.287 -0.097 0.000 0.929 175 K CB -0.782 31.679 32.500 -0.065 0.000 0.713 175 K HN 0.207 nan 8.250 nan 0.000 0.439 176 L N 0.761 121.869 121.223 -0.190 0.000 1.956 176 L HA -0.117 4.222 4.340 -0.001 0.000 0.216 176 L C 2.200 178.887 176.870 -0.304 0.000 1.073 176 L CA 2.565 57.270 54.840 -0.225 0.000 0.762 176 L CB -1.398 40.510 42.059 -0.252 0.000 0.889 176 L HN 0.279 nan 8.230 nan 0.000 0.433 177 A N -1.445 121.047 122.820 -0.547 0.000 1.915 177 A HA -0.371 3.948 4.320 -0.001 0.000 0.220 177 A C 2.353 179.750 177.584 -0.312 0.000 1.198 177 A CA 2.441 54.132 52.037 -0.576 0.000 0.647 177 A CB -1.500 16.901 19.000 -0.999 0.000 0.825 177 A HN 0.725 nan 8.150 nan 0.000 0.456 178 Y N 0.895 120.997 120.300 -0.330 0.000 2.145 178 Y HA -0.207 4.342 4.550 -0.001 0.000 0.286 178 Y C 2.012 177.808 175.900 -0.174 0.000 1.145 178 Y CA 2.045 60.013 58.100 -0.220 0.000 1.148 178 Y CB -0.222 38.129 38.460 -0.181 0.000 0.981 178 Y HN 0.363 nan 8.280 nan 0.000 0.507 179 D N 0.223 120.519 120.400 -0.174 0.000 2.097 179 D HA -0.187 4.453 4.640 -0.001 0.000 0.195 179 D C 2.370 178.522 176.300 -0.246 0.000 0.989 179 D CA 1.665 55.537 54.000 -0.213 0.000 0.827 179 D CB -0.474 40.272 40.800 -0.090 0.000 0.966 179 D HN 0.395 nan 8.370 nan 0.000 0.456 180 L N 0.398 121.487 121.223 -0.223 0.000 1.970 180 L HA -0.166 4.173 4.340 -0.001 0.000 0.212 180 L C 2.674 179.404 176.870 -0.233 0.000 1.071 180 L CA 0.866 55.581 54.840 -0.209 0.000 0.751 180 L CB -0.514 41.409 42.059 -0.226 0.000 0.889 180 L HN 0.034 nan 8.230 nan 0.000 0.432 181 L N -1.034 120.025 121.223 -0.272 0.000 2.127 181 L HA -0.203 4.136 4.340 -0.001 0.000 0.211 181 L C 2.608 179.328 176.870 -0.250 0.000 1.089 181 L CA 0.930 55.620 54.840 -0.251 0.000 0.757 181 L CB -0.475 41.447 42.059 -0.229 0.000 0.899 181 L HN 0.195 nan 8.230 nan 0.000 0.434 182 S N -0.696 114.793 115.700 -0.351 0.000 2.453 182 S HA -0.053 4.416 4.470 -0.001 0.000 0.231 182 S C 1.235 175.706 174.600 -0.215 0.000 1.005 182 S CA 0.715 58.703 58.200 -0.354 0.000 0.949 182 S CB -0.228 62.616 63.200 -0.594 0.000 0.774 182 S HN 0.473 nan 8.310 nan 0.000 0.510 183 N N 0.050 118.643 118.700 -0.179 0.000 2.380 183 N HA 0.251 4.990 4.740 -0.001 0.000 0.255 183 N C 0.797 176.270 175.510 -0.061 0.000 1.158 183 N CA 0.399 53.382 53.050 -0.112 0.000 0.878 183 N CB 0.940 39.361 38.487 -0.110 0.000 1.138 183 N HN 0.439 nan 8.380 nan 0.000 0.509 184 G N 0.509 109.275 108.800 -0.056 0.000 2.259 184 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.217 184 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.217 184 G C 0.291 175.218 174.900 0.044 0.000 1.001 184 G CA -0.106 44.995 45.100 0.001 0.000 0.627 184 G HN 0.472 nan 8.290 nan 0.000 0.501 185 A N 0.720 123.524 122.820 -0.026 0.000 2.511 185 A HA 0.493 4.813 4.320 -0.001 0.000 0.242 185 A C 1.176 178.592 177.584 -0.280 0.000 1.069 185 A CA 1.077 52.953 52.037 -0.270 0.000 0.763 185 A CB 0.239 18.958 19.000 -0.468 0.000 1.001 185 A HN 0.242 nan 8.150 nan 0.000 0.498 186 D N -0.184 120.000 120.400 -0.361 0.000 2.213 186 D HA 0.107 4.747 4.640 -0.001 0.000 0.205 186 D C 0.019 176.226 176.300 -0.155 0.000 0.961 186 D CA 1.851 55.751 54.000 -0.167 0.000 0.853 186 D CB 0.046 40.834 40.800 -0.021 0.000 0.967 186 D HN 0.729 nan 8.370 nan 0.000 0.496 187 Y N -1.942 118.126 120.300 -0.386 0.000 2.609 187 Y HA 0.541 5.090 4.550 -0.001 0.000 0.336 187 Y C -0.718 174.902 175.900 -0.466 0.000 1.129 187 Y CA -1.442 56.383 58.100 -0.459 0.000 1.040 187 Y CB 0.722 38.691 38.460 -0.818 0.000 1.310 187 Y HN -0.395 nan 8.280 nan 0.000 0.460 191 D N 1.146 121.583 120.400 0.061 0.000 2.341 191 D HA 0.005 4.645 4.640 -0.001 0.000 0.245 191 D C 1.377 177.611 176.300 -0.110 0.000 1.106 191 D CA -0.061 53.940 54.000 0.001 0.000 0.905 191 D CB 1.218 42.050 40.800 0.052 0.000 1.202 191 D HN 0.404 nan 8.370 nan 0.000 0.426 192 E N 3.015 123.044 120.200 -0.285 0.000 2.331 192 E HA -0.241 4.109 4.350 -0.001 0.000 0.199 192 E C 0.652 177.133 176.600 -0.199 0.000 1.008 192 E CA 1.119 57.263 56.400 -0.426 0.000 0.843 192 E CB -0.230 28.919 29.700 -0.919 0.000 0.761 192 E HN 0.504 nan 8.360 nan 0.000 0.507 193 N N 0.790 119.422 118.700 -0.113 0.000 2.236 193 N HA 0.004 4.743 4.740 -0.001 0.000 0.196 193 N C 0.261 175.745 175.510 -0.043 0.000 1.114 193 N CA -0.298 52.717 53.050 -0.059 0.000 0.859 193 N CB -0.176 38.296 38.487 -0.025 0.000 0.982 193 N HN 0.102 nan 8.380 nan 0.000 0.493 194 L N 2.469 123.663 121.223 -0.048 0.000 2.312 194 L HA 0.321 4.660 4.340 -0.001 0.000 0.287 194 L C 0.852 177.689 176.870 -0.055 0.000 1.091 194 L CA 0.044 54.848 54.840 -0.060 0.000 0.846 194 L CB 0.424 42.454 42.059 -0.048 0.000 1.219 194 L HN 0.252 nan 8.230 nan 0.000 0.439 195 T N -0.195 114.311 114.554 -0.080 0.000 2.281 195 T HA 0.242 4.591 4.350 -0.001 0.000 0.180 195 T C 0.538 175.219 174.700 -0.032 0.000 0.683 195 T CA 0.198 62.272 62.100 -0.043 0.000 1.735 195 T CB 0.073 68.901 68.868 -0.068 0.000 3.036 195 T HN 0.320 nan 8.240 nan 0.000 0.399 196 S N 3.035 118.686 115.700 -0.081 0.000 2.327 196 S HA 0.441 4.911 4.470 -0.001 0.000 0.203 196 S C -2.700 171.788 174.600 -0.186 0.000 1.326 196 S CA -1.308 56.843 58.200 -0.081 0.000 1.248 196 S CB -0.086 63.122 63.200 0.013 0.000 1.199 196 S HN 0.493 nan 8.310 nan 0.000 0.422 197 P HA 0.193 nan 4.420 nan 0.000 0.276 197 P C 1.583 178.550 177.300 -0.555 0.000 1.252 197 P CA -0.729 62.048 63.100 -0.539 0.000 0.802 197 P CB 0.321 31.382 31.700 -1.065 0.000 1.035 198 W N 2.207 123.344 121.300 -0.272 0.000 2.308 198 W HA -0.258 4.403 4.660 0.002 0.000 0.301 198 W C 1.313 177.768 176.519 -0.108 0.000 1.220 198 W CA 1.332 58.605 57.345 -0.121 0.000 1.240 198 W CB -2.003 27.454 29.460 -0.004 0.000 1.142 198 W HN 0.400 nan 8.180 nan 0.000 0.521 199 Y N 0.111 119.786 120.300 -1.041 0.000 2.546 199 Y HA 0.327 4.876 4.550 -0.002 0.000 0.287 199 Y C 0.642 176.259 175.900 -0.473 0.000 1.158 199 Y CA 0.620 58.129 58.100 -0.986 0.000 1.307 199 Y CB -0.926 36.620 38.460 -1.525 0.000 1.036 199 Y HN -0.095 nan 8.280 nan 0.000 0.532 200 N N 1.246 119.571 118.700 -0.625 0.000 2.976 200 N HA 0.081 4.820 4.740 -0.001 0.000 0.220 200 N C -1.478 173.840 175.510 -0.321 0.000 1.428 200 N CA -0.260 52.546 53.050 -0.406 0.000 0.748 200 N CB 0.657 38.862 38.487 -0.469 0.000 1.484 200 N HN 0.056 nan 8.380 nan 0.000 0.578 201 R N 1.573 121.969 120.500 -0.173 0.000 2.537 201 R HA 0.078 4.418 4.340 -0.001 0.000 0.280 201 R C 1.354 177.650 176.300 -0.007 0.000 1.058 201 R CA -0.310 55.751 56.100 -0.065 0.000 1.057 201 R CB 0.026 30.321 30.300 -0.008 0.000 0.973 201 R HN 0.491 nan 8.270 nan 0.000 0.438 202 F N 3.522 123.429 119.950 -0.071 0.000 2.091 202 F HA -0.292 4.234 4.527 -0.002 0.000 0.299 202 F C 2.219 178.052 175.800 0.056 0.000 1.103 202 F CA 2.211 60.214 58.000 0.005 0.000 1.228 202 F CB 0.188 39.188 39.000 0.001 0.000 0.984 202 F HN 0.606 nan 8.300 nan 0.000 0.477 203 E N 0.467 120.811 120.200 0.240 0.000 2.204 203 E HA -0.215 4.135 4.350 -0.001 0.000 0.194 203 E C 1.741 178.341 176.600 -0.000 0.000 0.989 203 E CA 1.579 58.064 56.400 0.142 0.000 0.824 203 E CB -0.902 28.896 29.700 0.163 0.000 0.756 203 E HN 0.634 nan 8.360 nan 0.000 0.477 204 E N 1.191 121.376 120.200 -0.024 0.000 2.028 204 E HA -0.149 4.201 4.350 -0.001 0.000 0.191 204 E C 2.384 178.915 176.600 -0.115 0.000 0.988 204 E CA 1.460 57.829 56.400 -0.051 0.000 0.799 204 E CB -0.239 29.440 29.700 -0.035 0.000 0.755 204 E HN 0.394 nan 8.360 nan 0.000 0.447 205 R N 0.987 121.371 120.500 -0.195 0.000 2.148 205 R HA 0.077 4.416 4.340 -0.001 0.000 0.223 205 R C 2.204 178.187 176.300 -0.527 0.000 1.088 205 R CA 1.057 56.968 56.100 -0.314 0.000 0.985 205 R CB -0.277 29.736 30.300 -0.478 0.000 0.880 205 R HN 0.053 nan 8.270 nan 0.000 0.451 206 A N 1.992 124.556 122.820 -0.427 0.000 1.877 206 A HA -0.147 4.173 4.320 -0.001 0.000 0.216 206 A C 1.996 179.480 177.584 -0.166 0.000 1.186 206 A CA 1.395 53.259 52.037 -0.288 0.000 0.620 206 A CB -0.323 18.648 19.000 -0.050 0.000 0.822 206 A HN 0.356 nan 8.150 nan 0.000 0.443 207 E N -0.091 120.045 120.200 -0.106 0.000 2.085 207 E HA -0.177 4.172 4.350 -0.001 0.000 0.194 207 E C 2.013 178.559 176.600 -0.089 0.000 0.994 207 E CA 1.275 57.638 56.400 -0.062 0.000 0.801 207 E CB -0.396 29.282 29.700 -0.036 0.000 0.743 207 E HN 0.733 nan 8.360 nan 0.000 0.453 208 I N 0.671 121.168 120.570 -0.122 0.000 2.226 208 I HA -0.276 3.894 4.170 -0.001 0.000 0.245 208 I C 2.470 178.494 176.117 -0.154 0.000 1.100 208 I CA 0.857 62.089 61.300 -0.112 0.000 1.374 208 I CB -0.201 37.760 38.000 -0.066 0.000 1.057 208 I HN 0.104 nan 8.210 nan 0.000 0.413 209 M N 0.259 119.700 119.600 -0.266 0.000 2.175 209 M HA -0.111 4.368 4.480 -0.001 0.000 0.264 209 M C 2.614 178.849 176.300 -0.107 0.000 1.063 209 M CA 1.755 56.882 55.300 -0.289 0.000 1.119 209 M CB -1.392 30.800 32.600 -0.679 0.000 1.377 209 M HN 0.281 nan 8.290 nan 0.000 0.415 210 A N 0.749 123.534 122.820 -0.059 0.000 1.908 210 A HA -0.195 4.124 4.320 -0.001 0.000 0.218 210 A C 2.516 180.097 177.584 -0.005 0.000 1.181 210 A CA 2.993 55.034 52.037 0.008 0.000 0.627 210 A CB -0.945 18.068 19.000 0.021 0.000 0.818 210 A HN 0.496 nan 8.150 nan 0.000 0.445 211 K N -0.015 120.366 120.400 -0.030 0.000 2.062 211 K HA 0.137 4.456 4.320 -0.001 0.000 0.205 211 K C 1.882 178.469 176.600 -0.021 0.000 1.051 211 K CA 1.271 57.542 56.287 -0.026 0.000 0.941 211 K CB -0.977 31.498 32.500 -0.042 0.000 0.719 211 K HN 0.539 nan 8.250 nan 0.000 0.440 212 I N 0.395 120.943 120.570 -0.038 0.000 2.163 212 I HA -0.244 3.926 4.170 -0.001 0.000 0.243 212 I C 2.564 178.691 176.117 0.017 0.000 1.085 212 I CA 1.473 62.770 61.300 -0.005 0.000 1.347 212 I CB -0.312 37.652 38.000 -0.059 0.000 1.044 212 I HN 0.230 nan 8.210 nan 0.000 0.408 213 I N 0.768 121.336 120.570 -0.002 0.000 2.208 213 I HA -0.327 3.842 4.170 -0.001 0.000 0.245 213 I C 2.089 178.221 176.117 0.026 0.000 1.097 213 I CA 1.492 62.801 61.300 0.016 0.000 1.363 213 I CB -0.460 37.566 38.000 0.044 0.000 1.051 213 I HN 0.248 nan 8.210 nan 0.000 0.413 214 D N 0.590 121.006 120.400 0.026 0.000 2.117 214 D HA -0.198 4.441 4.640 -0.001 0.000 0.197 214 D C 2.063 178.381 176.300 0.030 0.000 0.987 214 D CA 1.146 55.162 54.000 0.027 0.000 0.829 214 D CB -0.168 40.645 40.800 0.021 0.000 0.961 214 D HN 0.280 nan 8.370 nan 0.000 0.460 215 K N 0.640 121.063 120.400 0.039 0.000 2.001 215 K HA -0.089 4.231 4.320 -0.001 0.000 0.208 215 K C 1.967 178.618 176.600 0.086 0.000 1.048 215 K CA 0.884 57.209 56.287 0.064 0.000 0.932 215 K CB -0.037 32.511 32.500 0.080 0.000 0.715 215 K HN -0.095 nan 8.250 nan 0.000 0.437 216 V N 1.844 121.805 119.914 0.080 0.000 2.407 216 V HA -0.207 3.913 4.120 -0.001 0.000 0.248 216 V C 2.061 178.151 176.094 -0.006 0.000 1.055 216 V CA 1.908 64.212 62.300 0.007 0.000 1.049 216 V CB -0.433 31.345 31.823 -0.075 0.000 0.662 216 V HN 0.392 nan 8.190 nan 0.000 0.455 217 E N 0.342 120.547 120.200 0.008 0.000 2.106 217 E HA -0.193 4.156 4.350 -0.001 0.000 0.192 217 E C 2.318 178.927 176.600 0.015 0.000 0.984 217 E CA 1.325 57.732 56.400 0.011 0.000 0.806 217 E CB -0.389 29.325 29.700 0.023 0.000 0.750 217 E HN 0.829 nan 8.360 nan 0.000 0.458 218 N N 1.365 120.078 118.700 0.022 0.000 2.244 218 N HA -0.184 4.556 4.740 -0.001 0.000 0.183 218 N C 1.671 177.192 175.510 0.019 0.000 1.016 218 N CA 1.355 54.418 53.050 0.021 0.000 0.866 218 N CB -0.405 38.096 38.487 0.023 0.000 0.980 218 N HN 0.222 nan 8.380 nan 0.000 0.430 219 E N -0.797 119.416 120.200 0.021 0.000 2.086 219 E HA -0.066 4.283 4.350 -0.001 0.000 0.190 219 E C 2.261 178.862 176.600 0.001 0.000 0.975 219 E CA 1.537 57.947 56.400 0.018 0.000 0.813 219 E CB 0.098 29.819 29.700 0.036 0.000 0.768 219 E HN 0.797 nan 8.360 nan 0.000 0.457 220 T N -3.141 111.407 114.554 -0.010 0.000 3.044 220 T HA 0.213 4.562 4.350 -0.001 0.000 0.250 220 T C 1.651 176.347 174.700 -0.007 0.000 1.081 220 T CA 0.483 62.572 62.100 -0.019 0.000 1.040 220 T CB 0.560 69.403 68.868 -0.042 0.000 0.962 220 T HN 0.256 nan 8.240 nan 0.000 0.506 221 G N 1.569 110.370 108.800 0.002 0.000 2.186 221 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.266 221 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.266 221 G C -0.017 174.890 174.900 0.012 0.000 0.982 221 G CA 0.518 45.624 45.100 0.009 0.000 0.670 221 G HN 0.632 nan 8.290 nan 0.000 0.533 222 E N -0.018 120.185 120.200 0.005 0.000 2.312 222 E HA 0.504 4.853 4.350 -0.001 0.000 0.259 222 E C 0.258 176.869 176.600 0.018 0.000 1.122 222 E CA -0.464 55.941 56.400 0.009 0.000 0.922 222 E CB 0.686 30.384 29.700 -0.005 0.000 1.109 222 E HN 0.102 nan 8.360 nan 0.000 0.442 223 K N 1.375 121.794 120.400 0.030 0.000 2.159 223 K HA 0.409 4.728 4.320 -0.001 0.000 0.266 223 K C -0.044 176.582 176.600 0.042 0.000 0.975 223 K CA -0.671 55.644 56.287 0.045 0.000 0.865 223 K CB 1.265 33.804 32.500 0.066 0.000 1.087 223 K HN 0.247 nan 8.250 nan 0.000 0.446 224 K N 0.664 121.094 120.400 0.049 0.000 2.443 224 K HA 0.567 4.886 4.320 -0.001 0.000 0.251 224 K C -0.249 176.409 176.600 0.097 0.000 0.972 224 K CA -0.706 55.608 56.287 0.044 0.000 0.833 224 K CB 2.317 34.818 32.500 0.002 0.000 1.317 224 K HN 0.658 nan 8.250 nan 0.000 0.441 225 T N -0.586 114.036 114.554 0.113 0.000 2.731 225 T HA 0.635 4.985 4.350 -0.001 0.000 0.300 225 T C -2.114 172.709 174.700 0.204 0.000 1.283 225 T CA -0.574 61.644 62.100 0.197 0.000 1.005 225 T CB 0.908 69.953 68.868 0.295 0.000 1.420 225 T HN 0.539 nan 8.240 nan 0.000 0.503 226 W N 2.856 124.180 121.300 0.041 0.000 3.042 226 W HA 0.636 5.295 4.660 -0.001 0.000 0.337 226 W C -2.229 174.381 176.519 0.152 0.000 1.086 226 W CA -1.848 55.491 57.345 -0.010 0.000 1.236 226 W CB 0.867 30.350 29.460 0.038 0.000 1.381 226 W HN 0.417 nan 8.180 nan 0.000 0.472 227 F N 5.940 125.635 119.950 -0.425 0.000 2.462 227 F HA 0.500 5.026 4.527 -0.001 0.000 0.354 227 F C 0.927 176.194 175.800 -0.888 0.000 1.192 227 F CA -1.406 56.232 58.000 -0.604 0.000 1.173 227 F CB -0.663 37.983 39.000 -0.590 0.000 1.402 227 F HN 0.457 nan 8.300 nan 0.000 0.595 228 A N 2.907 125.088 122.820 -1.065 0.000 2.347 228 A HA 0.253 4.573 4.320 -0.001 0.000 0.287 228 A C 0.474 177.881 177.584 -0.294 0.000 1.199 228 A CA -0.549 50.739 52.037 -1.249 0.000 0.851 228 A CB -0.141 17.769 19.000 -1.816 0.000 1.118 228 A HN 0.544 nan 8.150 nan 0.000 0.525 229 N N 2.774 121.432 118.700 -0.071 0.000 2.402 229 N HA 0.125 4.864 4.740 -0.001 0.000 0.259 229 N C 0.727 176.292 175.510 0.093 0.000 1.167 229 N CA -0.327 52.734 53.050 0.018 0.000 0.949 229 N CB 0.138 38.623 38.487 -0.004 0.000 1.212 229 N HN 0.623 nan 8.380 nan 0.000 0.493 230 I N -0.316 120.223 120.570 -0.052 0.000 3.684 230 I HA 0.194 4.363 4.170 -0.001 0.000 0.304 230 I C -0.001 175.995 176.117 -0.201 0.000 1.278 230 I CA -0.272 60.876 61.300 -0.253 0.000 1.272 230 I CB -0.436 37.414 38.000 -0.251 0.000 1.029 230 I HN 0.107 nan 8.210 nan 0.000 0.458 231 T N 3.462 117.942 114.554 -0.123 0.000 2.822 231 T HA 0.409 4.759 4.350 -0.001 0.000 0.288 231 T C 0.208 174.846 174.700 -0.103 0.000 0.991 231 T CA 0.767 62.804 62.100 -0.104 0.000 1.176 231 T CB 0.297 69.112 68.868 -0.090 0.000 0.951 231 T HN 0.713 nan 8.240 nan 0.000 0.526 232 A N 3.573 126.339 122.820 -0.090 0.000 2.375 232 A HA 0.483 4.802 4.320 -0.001 0.000 0.299 232 A C -1.255 176.296 177.584 -0.054 0.000 1.044 232 A CA -0.996 50.996 52.037 -0.076 0.000 0.585 232 A CB 0.426 19.364 19.000 -0.103 0.000 1.438 232 A HN 0.615 nan 8.150 nan 0.000 0.574 233 D N 0.004 120.379 120.400 -0.042 0.000 2.378 233 D HA 0.225 4.865 4.640 -0.001 0.000 0.238 233 D C 1.498 177.786 176.300 -0.019 0.000 1.180 233 D CA -0.025 53.960 54.000 -0.024 0.000 0.895 233 D CB 0.898 41.687 40.800 -0.018 0.000 1.192 233 D HN 0.528 nan 8.370 nan 0.000 0.438 234 L N 2.124 123.348 121.223 0.001 0.000 1.976 234 L HA -0.283 4.056 4.340 -0.001 0.000 0.223 234 L C 2.124 179.013 176.870 0.032 0.000 1.081 234 L CA 1.808 56.666 54.840 0.031 0.000 0.784 234 L CB -0.662 41.419 42.059 0.036 0.000 0.896 234 L HN 0.378 nan 8.230 nan 0.000 0.438 235 L N -0.469 120.765 121.223 0.018 0.000 2.043 235 L HA -0.247 4.092 4.340 -0.001 0.000 0.212 235 L C 2.590 179.455 176.870 -0.008 0.000 1.075 235 L CA 1.734 56.585 54.840 0.017 0.000 0.752 235 L CB -1.413 40.651 42.059 0.007 0.000 0.891 235 L HN 0.362 nan 8.230 nan 0.000 0.432 236 E N -1.308 118.870 120.200 -0.036 0.000 2.106 236 E HA -0.163 4.186 4.350 -0.001 0.000 0.192 236 E C 2.318 178.840 176.600 -0.129 0.000 0.984 236 E CA 1.033 57.385 56.400 -0.081 0.000 0.806 236 E CB -0.268 29.378 29.700 -0.090 0.000 0.750 236 E HN 0.399 nan 8.360 nan 0.000 0.458 237 M N 0.097 119.637 119.600 -0.100 0.000 2.117 237 M HA -0.168 4.311 4.480 -0.001 0.000 0.262 237 M C 1.996 178.245 176.300 -0.083 0.000 1.065 237 M CA 1.441 56.668 55.300 -0.121 0.000 1.114 237 M CB -0.361 32.198 32.600 -0.067 0.000 1.361 237 M HN 0.117 nan 8.290 nan 0.000 0.408 238 E N 0.271 120.468 120.200 -0.006 0.000 2.085 238 E HA -0.244 4.105 4.350 -0.001 0.000 0.194 238 E C 2.061 178.666 176.600 0.009 0.000 0.994 238 E CA 1.327 57.755 56.400 0.045 0.000 0.801 238 E CB -0.176 29.589 29.700 0.108 0.000 0.743 238 E HN 0.598 nan 8.360 nan 0.000 0.453 239 Q N 0.264 120.043 119.800 -0.035 0.000 2.084 239 Q HA -0.141 4.198 4.340 -0.001 0.000 0.202 239 Q C 2.212 178.148 176.000 -0.107 0.000 0.978 239 Q CA 1.199 56.972 55.803 -0.051 0.000 0.844 239 Q CB -0.099 28.607 28.738 -0.055 0.000 0.898 239 Q HN 0.146 nan 8.270 nan 0.000 0.426 240 R N 0.223 120.580 120.500 -0.237 0.000 2.115 240 R HA -0.045 4.295 4.340 -0.001 0.000 0.226 240 R C 2.221 178.412 176.300 -0.182 0.000 1.100 240 R CA 0.795 56.635 56.100 -0.433 0.000 0.980 240 R CB -0.157 29.473 30.300 -1.116 0.000 0.875 240 R HN 0.199 nan 8.270 nan 0.000 0.445 241 L N 0.425 121.561 121.223 -0.145 0.000 2.093 241 L HA -0.169 4.170 4.340 -0.001 0.000 0.208 241 L C 2.559 179.232 176.870 -0.328 0.000 1.085 241 L CA 1.360 56.135 54.840 -0.109 0.000 0.755 241 L CB -0.340 41.743 42.059 0.039 0.000 0.904 241 L HN 0.282 nan 8.230 nan 0.000 0.435 242 E N 0.012 120.045 120.200 -0.278 0.000 2.106 242 E HA -0.179 4.171 4.350 -0.001 0.000 0.192 242 E C 2.236 178.705 176.600 -0.219 0.000 0.984 242 E CA 1.113 57.284 56.400 -0.382 0.000 0.806 242 E CB 0.176 29.813 29.700 -0.105 0.000 0.750 242 E HN 0.242 nan 8.360 nan 0.000 0.458 243 V N 1.424 121.304 119.914 -0.057 0.000 2.343 243 V HA -0.272 3.847 4.120 -0.001 0.000 0.247 243 V C 2.442 178.572 176.094 0.061 0.000 1.051 243 V CA 1.467 63.803 62.300 0.059 0.000 1.036 243 V CB -0.412 31.544 31.823 0.221 0.000 0.654 243 V HN 0.353 nan 8.190 nan 0.000 0.451 244 L N -0.060 121.201 121.223 0.065 0.000 2.012 244 L HA -0.193 4.146 4.340 -0.001 0.000 0.210 244 L C 2.738 179.583 176.870 -0.041 0.000 1.073 244 L CA 1.757 56.629 54.840 0.054 0.000 0.748 244 L CB -0.844 41.238 42.059 0.039 0.000 0.891 244 L HN 0.374 nan 8.230 nan 0.000 0.431 245 A N -0.224 122.469 122.820 -0.212 0.000 1.902 245 A HA -0.221 4.098 4.320 -0.001 0.000 0.217 245 A C 1.898 179.429 177.584 -0.089 0.000 1.181 245 A CA 1.923 53.828 52.037 -0.221 0.000 0.623 245 A CB -0.523 18.107 19.000 -0.616 0.000 0.818 245 A HN 0.362 nan 8.150 nan 0.000 0.443 246 D N -0.183 120.165 120.400 -0.087 0.000 2.218 246 D HA -0.063 4.577 4.640 -0.001 0.000 0.204 246 D C 1.550 177.856 176.300 0.011 0.000 0.976 246 D CA 0.830 54.817 54.000 -0.021 0.000 0.853 246 D CB -0.162 40.631 40.800 -0.013 0.000 0.939 246 D HN 0.453 nan 8.370 nan 0.000 0.481 247 L N -0.681 120.555 121.223 0.022 0.000 2.592 247 L HA 0.194 4.534 4.340 -0.001 0.000 0.227 247 L C 1.211 178.111 176.870 0.050 0.000 1.127 247 L CA 0.158 55.023 54.840 0.042 0.000 0.884 247 L CB 0.092 42.189 42.059 0.064 0.000 1.065 247 L HN 0.054 nan 8.230 nan 0.000 0.457 248 G N 1.043 109.869 108.800 0.043 0.000 2.221 248 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.265 248 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.265 248 G C 0.146 175.088 174.900 0.070 0.000 1.041 248 G CA 0.045 45.177 45.100 0.053 0.000 0.807 248 G HN 0.230 nan 8.290 nan 0.000 0.502 249 L N -1.506 119.766 121.223 0.081 0.000 2.479 249 L HA 0.502 4.841 4.340 -0.001 0.000 0.249 249 L C 1.718 178.629 176.870 0.069 0.000 1.178 249 L CA -0.310 54.599 54.840 0.115 0.000 0.811 249 L CB 0.651 42.819 42.059 0.182 0.000 1.187 249 L HN 0.151 nan 8.230 nan 0.000 0.480 250 K N -1.282 119.161 120.400 0.071 0.000 2.399 250 K HA 0.217 4.537 4.320 -0.001 0.000 0.196 250 K C -0.374 176.072 176.600 -0.257 0.000 1.103 250 K CA 0.029 56.278 56.287 -0.063 0.000 0.986 250 K CB 0.573 33.058 32.500 -0.026 0.000 0.952 250 K HN 0.434 nan 8.250 nan 0.000 0.541 251 H N -0.391 118.635 119.070 -0.072 0.000 2.637 251 H HA 0.558 5.114 4.556 -0.001 0.000 0.363 251 H C -1.421 173.804 175.328 -0.171 0.000 1.131 251 H CA -0.692 55.272 56.048 -0.140 0.000 1.183 251 H CB 2.110 31.841 29.762 -0.050 0.000 1.637 251 H HN 0.132 nan 8.280 nan 0.000 0.531 252 A N 3.378 126.164 122.820 -0.056 0.000 2.343 252 A HA 0.498 4.817 4.320 -0.001 0.000 0.308 252 A C -0.770 176.758 177.584 -0.094 0.000 1.092 252 A CA -0.760 51.225 52.037 -0.087 0.000 0.751 252 A CB 0.912 19.876 19.000 -0.060 0.000 1.203 252 A HN 0.720 nan 8.150 nan 0.000 0.452 253 M N 3.474 123.010 119.600 -0.108 0.000 2.300 253 M HA 0.695 5.175 4.480 -0.001 0.000 0.348 253 M C -1.817 174.439 176.300 -0.073 0.000 1.151 253 M CA -0.397 54.864 55.300 -0.065 0.000 1.046 253 M CB 1.262 33.840 32.600 -0.037 0.000 1.647 253 M HN 0.387 nan 8.290 nan 0.000 0.451 254 V N 3.722 123.585 119.914 -0.085 0.000 2.623 254 V HA 0.264 4.383 4.120 -0.001 0.000 0.304 254 V C -1.114 174.905 176.094 -0.125 0.000 1.054 254 V CA -0.907 61.325 62.300 -0.113 0.000 0.882 254 V CB 1.986 33.728 31.823 -0.135 0.000 1.002 254 V HN 0.769 nan 8.190 nan 0.000 0.424 255 D N 3.408 123.742 120.400 -0.109 0.000 2.441 255 D HA 0.079 4.719 4.640 -0.001 0.000 0.243 255 D C 1.372 177.579 176.300 -0.155 0.000 1.257 255 D CA 0.157 54.101 54.000 -0.093 0.000 1.027 255 D CB 1.274 42.029 40.800 -0.074 0.000 1.084 255 D HN 0.502 nan 8.370 nan 0.000 0.514 256 V N 0.632 120.385 119.914 -0.267 0.000 2.343 256 V HA -0.234 3.885 4.120 -0.001 0.000 0.247 256 V C 1.944 177.829 176.094 -0.348 0.000 1.051 256 V CA 1.024 63.069 62.300 -0.424 0.000 1.036 256 V CB -0.742 30.556 31.823 -0.876 0.000 0.654 256 V HN 0.289 nan 8.190 nan 0.000 0.451 257 V N 0.416 120.199 119.914 -0.218 0.000 2.358 257 V HA -0.162 3.957 4.120 -0.001 0.000 0.246 257 V C 2.535 178.589 176.094 -0.067 0.000 1.047 257 V CA 2.399 64.658 62.300 -0.068 0.000 1.035 257 V CB -0.558 31.323 31.823 0.097 0.000 0.658 257 V HN 0.454 nan 8.190 nan 0.000 0.452 258 I N -0.008 120.530 120.570 -0.052 0.000 2.252 258 I HA -0.208 3.962 4.170 -0.001 0.000 0.245 258 I C 2.568 178.647 176.117 -0.064 0.000 1.102 258 I CA 1.659 62.938 61.300 -0.035 0.000 1.385 258 I CB -0.606 37.380 38.000 -0.024 0.000 1.064 258 I HN 0.310 nan 8.210 nan 0.000 0.414 259 T N 0.399 114.895 114.554 -0.096 0.000 2.665 259 T HA -0.010 4.339 4.350 -0.001 0.000 0.268 259 T C 0.943 175.589 174.700 -0.089 0.000 1.035 259 T CA 1.312 63.359 62.100 -0.087 0.000 1.151 259 T CB -0.553 68.254 68.868 -0.100 0.000 0.862 259 T HN 0.682 nan 8.240 nan 0.000 0.438 260 G N -0.815 107.880 108.800 -0.176 0.000 2.663 260 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.686 260 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.686 260 G C 0.045 174.829 174.900 -0.193 0.000 1.288 260 G CA -0.297 44.674 45.100 -0.215 0.000 0.836 260 G HN 0.363 nan 8.290 nan 0.000 0.584 261 W N 0.361 121.722 121.300 0.101 0.000 2.518 261 W HA 0.248 4.908 4.660 -0.001 0.000 0.273 261 W C 2.494 179.065 176.519 0.086 0.000 1.247 261 W CA 0.898 58.305 57.345 0.104 0.000 1.288 261 W CB 0.010 29.512 29.460 0.070 0.000 1.107 261 W HN 0.925 nan 8.180 nan 0.000 0.586 262 G N 0.316 109.264 108.800 0.247 0.000 2.470 262 G HA2 0.001 3.960 3.960 -0.001 0.000 0.220 262 G HA3 0.001 3.960 3.960 -0.001 0.000 0.220 262 G C 1.325 176.303 174.900 0.131 0.000 1.121 262 G CA 1.129 46.328 45.100 0.164 0.000 0.766 262 G HN 0.285 nan 8.290 nan 0.000 0.553 263 A N -1.124 121.776 122.820 0.133 0.000 2.653 263 A HA 0.498 4.818 4.320 -0.001 0.000 0.248 263 A C 1.568 179.253 177.584 0.169 0.000 1.211 263 A CA -0.050 52.074 52.037 0.145 0.000 0.991 263 A CB 0.074 19.141 19.000 0.112 0.000 1.252 263 A HN 0.183 nan 8.150 nan 0.000 0.593 264 L N 0.410 121.723 121.223 0.149 0.000 2.093 264 L HA 0.038 4.377 4.340 -0.001 0.000 0.208 264 L C 2.240 179.199 176.870 0.147 0.000 1.085 264 L CA 2.075 56.989 54.840 0.123 0.000 0.755 264 L CB -0.597 41.543 42.059 0.136 0.000 0.904 264 L HN 0.504 nan 8.230 nan 0.000 0.435 265 R N -2.030 118.587 120.500 0.194 0.000 2.081 265 R HA -0.244 4.095 4.340 -0.001 0.000 0.235 265 R C 2.379 178.764 176.300 0.142 0.000 1.131 265 R CA 1.786 57.990 56.100 0.173 0.000 0.960 265 R CB -0.531 29.873 30.300 0.175 0.000 0.856 265 R HN 0.435 nan 8.270 nan 0.000 0.436 266 Y N 1.244 121.573 120.300 0.047 0.000 2.097 266 Y HA -0.248 4.301 4.550 -0.001 0.000 0.282 266 Y C 1.970 177.880 175.900 0.016 0.000 1.152 266 Y CA 1.516 59.629 58.100 0.023 0.000 1.136 266 Y CB -0.282 38.189 38.460 0.018 0.000 0.975 266 Y HN 0.001 nan 8.280 nan 0.000 0.498 267 I N 0.942 121.467 120.570 -0.074 0.000 2.208 267 I HA -0.294 3.875 4.170 -0.001 0.000 0.245 267 I C 2.652 178.689 176.117 -0.133 0.000 1.097 267 I CA 1.616 62.822 61.300 -0.156 0.000 1.363 267 I CB -1.328 36.653 38.000 -0.032 0.000 1.051 267 I HN 0.332 nan 8.210 nan 0.000 0.413 268 R N 1.128 121.597 120.500 -0.052 0.000 2.075 268 R HA -0.170 4.170 4.340 -0.001 0.000 0.232 268 R C 1.610 177.882 176.300 -0.047 0.000 1.126 268 R CA 1.639 57.726 56.100 -0.022 0.000 0.963 268 R CB -0.306 30.017 30.300 0.039 0.000 0.858 268 R HN 0.286 nan 8.270 nan 0.000 0.435 269 D N 0.921 121.276 120.400 -0.075 0.000 2.144 269 D HA -0.149 4.491 4.640 -0.001 0.000 0.200 269 D C 1.858 178.046 176.300 -0.186 0.000 0.978 269 D CA 0.660 54.602 54.000 -0.096 0.000 0.833 269 D CB -0.156 40.605 40.800 -0.064 0.000 0.961 269 D HN 0.142 nan 8.370 nan 0.000 0.470 270 L N 0.937 121.976 121.223 -0.307 0.000 2.027 270 L HA -0.028 4.312 4.340 -0.001 0.000 0.206 270 L C 2.164 178.900 176.870 -0.224 0.000 1.074 270 L CA 1.564 56.176 54.840 -0.379 0.000 0.745 270 L CB -0.911 40.855 42.059 -0.489 0.000 0.898 270 L HN -0.034 nan 8.230 nan 0.000 0.433 271 A N -0.683 122.098 122.820 -0.066 0.000 1.902 271 A HA -0.138 4.182 4.320 -0.001 0.000 0.217 271 A C 2.444 180.075 177.584 0.078 0.000 1.181 271 A CA 1.886 53.965 52.037 0.070 0.000 0.623 271 A CB -1.139 17.879 19.000 0.030 0.000 0.818 271 A HN 0.533 nan 8.150 nan 0.000 0.443 272 A N 0.084 122.917 122.820 0.022 0.000 1.902 272 A HA -0.206 4.114 4.320 -0.001 0.000 0.217 272 A C 1.749 179.329 177.584 -0.007 0.000 1.181 272 A CA 1.993 54.053 52.037 0.039 0.000 0.623 272 A CB -0.682 18.316 19.000 -0.003 0.000 0.818 272 A HN 0.448 nan 8.150 nan 0.000 0.443 273 D N -1.435 118.898 120.400 -0.111 0.000 2.182 273 D HA -0.132 4.507 4.640 -0.001 0.000 0.201 273 D C 1.247 177.469 176.300 -0.129 0.000 0.986 273 D CA 1.186 55.080 54.000 -0.176 0.000 0.847 273 D CB -0.328 40.276 40.800 -0.327 0.000 0.942 273 D HN 0.589 nan 8.370 nan 0.000 0.467 274 Y N -0.174 120.131 120.300 0.008 0.000 2.546 274 Y HA 0.249 4.799 4.550 -0.001 0.000 0.287 274 Y C 1.827 177.761 175.900 0.056 0.000 1.158 274 Y CA 0.337 58.450 58.100 0.022 0.000 1.307 274 Y CB -0.060 38.405 38.460 0.009 0.000 1.036 274 Y HN 0.005 nan 8.280 nan 0.000 0.532 275 G N 0.757 109.687 108.800 0.216 0.000 2.198 275 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.257 275 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.257 275 G C -0.272 174.820 174.900 0.321 0.000 1.042 275 G CA -0.009 45.256 45.100 0.275 0.000 0.791 275 G HN 0.273 nan 8.290 nan 0.000 0.502 276 L N 0.533 121.887 121.223 0.217 0.000 2.272 276 L HA 0.703 5.042 4.340 -0.001 0.000 0.289 276 L C 1.048 177.823 176.870 -0.158 0.000 1.032 276 L CA -0.485 54.344 54.840 -0.018 0.000 0.810 276 L CB 1.570 43.636 42.059 0.012 0.000 1.205 276 L HN 0.343 nan 8.230 nan 0.000 0.422 277 A N 5.201 127.561 122.820 -0.767 0.000 2.445 277 A HA 0.523 4.842 4.320 -0.001 0.000 0.242 277 A C -0.198 177.175 177.584 -0.352 0.000 1.075 277 A CA -0.021 51.543 52.037 -0.787 0.000 0.777 277 A CB 0.066 18.261 19.000 -1.342 0.000 1.013 277 A HN 0.667 nan 8.150 nan 0.000 0.493 278 I N 1.178 121.657 120.570 -0.152 0.000 2.378 278 I HA 0.234 4.403 4.170 -0.001 0.000 0.291 278 I C -0.281 175.768 176.117 -0.113 0.000 0.992 278 I CA -0.353 60.889 61.300 -0.098 0.000 1.154 278 I CB 1.627 39.585 38.000 -0.070 0.000 1.315 278 I HN 0.828 nan 8.210 nan 0.000 0.448 279 H N 4.622 123.531 119.070 -0.268 0.000 2.541 279 H HA 0.554 5.110 4.556 -0.001 0.000 0.316 279 H C -0.018 175.165 175.328 -0.243 0.000 1.043 279 H CA -0.346 55.476 56.048 -0.376 0.000 1.232 279 H CB 1.267 30.569 29.762 -0.766 0.000 1.406 279 H HN 0.708 nan 8.280 nan 0.000 0.469 280 G N 4.276 112.730 108.800 -0.577 0.000 2.322 280 G HA2 0.157 4.117 3.960 -0.001 0.000 0.309 280 G HA3 0.157 4.117 3.960 -0.001 0.000 0.309 280 G C -1.130 173.488 174.900 -0.470 0.000 1.121 280 G CA -0.413 44.417 45.100 -0.450 0.000 0.886 280 G HN 0.751 nan 8.290 nan 0.000 0.447 281 H N 2.408 121.229 119.070 -0.415 0.000 2.459 281 H HA 0.240 4.796 4.556 -0.001 0.000 0.332 281 H C 0.844 175.971 175.328 -0.334 0.000 1.094 281 H CA -0.630 55.160 56.048 -0.431 0.000 1.224 281 H CB 1.472 31.053 29.762 -0.301 0.000 1.449 281 H HN 0.669 nan 8.280 nan 0.000 0.484 282 R N 2.981 123.182 120.500 -0.498 0.000 2.356 282 R HA 0.358 4.698 4.340 -0.001 0.000 0.234 282 R C 0.466 176.777 176.300 0.018 0.000 0.929 282 R CA -0.223 55.734 56.100 -0.239 0.000 1.084 282 R CB 0.161 30.238 30.300 -0.371 0.000 1.105 282 R HN 0.358 nan 8.270 nan 0.000 0.515 283 A N 2.103 124.998 122.820 0.126 0.000 2.592 283 A HA -0.003 4.316 4.320 -0.001 0.000 0.250 283 A C 0.883 178.520 177.584 0.087 0.000 1.017 283 A CA 1.243 53.393 52.037 0.188 0.000 0.794 283 A CB -0.346 18.799 19.000 0.242 0.000 0.917 283 A HN 0.839 nan 8.150 nan 0.000 0.515 284 M N 0.844 120.453 119.600 0.015 0.000 3.061 284 M HA -0.266 4.214 4.480 -0.001 0.000 0.224 284 M C 0.853 177.048 176.300 -0.174 0.000 0.550 284 M CA 1.760 57.034 55.300 -0.043 0.000 0.859 284 M CB -2.136 30.487 32.600 0.039 0.000 3.055 284 M HN 1.247 nan 8.290 nan 0.000 0.304 285 H N -0.393 118.522 119.070 -0.258 0.000 2.353 285 H HA 0.293 4.849 4.556 -0.001 0.000 0.300 285 H C 1.788 176.672 175.328 -0.739 0.000 1.090 285 H CA 2.013 57.699 56.048 -0.604 0.000 1.327 285 H CB -0.727 28.825 29.762 -0.350 0.000 1.383 285 H HN 0.480 nan 8.280 nan 0.000 0.508 286 A N 1.334 123.467 122.820 -1.144 0.000 2.139 286 A HA -0.081 4.238 4.320 -0.001 0.000 0.221 286 A C 2.562 179.914 177.584 -0.386 0.000 1.159 286 A CA 1.362 52.974 52.037 -0.707 0.000 0.662 286 A CB -1.258 17.384 19.000 -0.597 0.000 0.796 286 A HN 0.754 nan 8.150 nan 0.000 0.463 287 A N -0.914 121.696 122.820 -0.350 0.000 2.070 287 A HA 0.146 4.466 4.320 -0.001 0.000 0.220 287 A C 1.451 179.048 177.584 0.021 0.000 1.159 287 A CA 1.493 53.467 52.037 -0.105 0.000 0.656 287 A CB -0.565 18.445 19.000 0.017 0.000 0.800 287 A HN 1.252 nan 8.150 nan 0.000 0.453 288 F N -3.745 116.194 119.950 -0.018 0.000 2.974 288 F HA 0.233 4.759 4.527 -0.001 0.000 0.357 288 F C 1.144 176.949 175.800 0.009 0.000 1.114 288 F CA 0.507 58.496 58.000 -0.019 0.000 1.099 288 F CB -0.358 38.600 39.000 -0.070 0.000 1.205 288 F HN 0.015 nan 8.300 nan 0.000 0.535 289 T N -2.838 111.594 114.554 -0.203 0.000 3.044 289 T HA 0.277 4.626 4.350 -0.001 0.000 0.260 289 T C 1.531 176.230 174.700 -0.002 0.000 1.019 289 T CA 0.148 62.231 62.100 -0.028 0.000 0.921 289 T CB 0.036 68.884 68.868 -0.034 0.000 1.053 289 T HN 0.374 nan 8.240 nan 0.000 0.533 290 R N 1.147 121.629 120.500 -0.030 0.000 2.105 290 R HA 0.205 4.544 4.340 -0.001 0.000 0.214 290 R C 0.511 176.833 176.300 0.035 0.000 1.091 290 R CA 0.121 56.214 56.100 -0.012 0.000 1.007 290 R CB -0.047 30.226 30.300 -0.044 0.000 0.912 290 R HN 0.262 nan 8.270 nan 0.000 0.450 291 N N 1.935 120.682 118.700 0.078 0.000 2.431 291 N HA 0.013 4.753 4.740 -0.001 0.000 0.265 291 N C -1.905 173.678 175.510 0.122 0.000 1.184 291 N CA -1.727 51.402 53.050 0.132 0.000 0.943 291 N CB 1.557 40.160 38.487 0.193 0.000 1.080 291 N HN 0.080 nan 8.380 nan 0.000 0.477 292 P HA -0.064 nan 4.420 nan 0.000 0.237 292 P C -0.036 177.140 177.300 -0.208 0.000 1.178 292 P CA 1.081 64.107 63.100 -0.124 0.000 0.766 292 P CB 0.042 31.591 31.700 -0.252 0.000 0.876 293 Y N -2.021 118.381 120.300 0.170 0.000 2.481 293 Y HA 0.327 4.877 4.550 -0.001 0.000 0.247 293 Y C 0.612 176.697 175.900 0.309 0.000 1.151 293 Y CA -0.232 57.995 58.100 0.212 0.000 1.238 293 Y CB 0.296 38.861 38.460 0.176 0.000 1.179 293 Y HN 0.029 nan 8.280 nan 0.000 0.524 294 H N -1.094 118.145 119.070 0.281 0.000 3.112 294 H HA 0.562 5.118 4.556 -0.001 0.000 0.347 294 H C 0.133 175.611 175.328 0.249 0.000 1.188 294 H CA -0.223 55.998 56.048 0.288 0.000 1.240 294 H CB 1.256 31.164 29.762 0.243 0.000 1.920 294 H HN 0.225 nan 8.280 nan 0.000 0.535 295 G N 2.054 110.762 108.800 -0.154 0.000 2.408 295 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.204 295 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.204 295 G C -1.364 173.597 174.900 0.102 0.000 1.186 295 G CA -0.291 44.714 45.100 -0.158 0.000 1.139 295 G HN 0.677 nan 8.290 nan 0.000 0.563 296 I N 0.795 121.487 120.570 0.203 0.000 2.569 296 I HA 0.526 4.696 4.170 -0.001 0.000 0.290 296 I C 0.430 176.717 176.117 0.283 0.000 1.088 296 I CA -0.675 60.788 61.300 0.271 0.000 1.047 296 I CB 2.118 40.253 38.000 0.224 0.000 1.237 296 I HN 0.647 nan 8.210 nan 0.000 0.421 297 S N 4.082 119.899 115.700 0.195 0.000 2.580 297 S HA 0.164 4.633 4.470 -0.001 0.000 0.274 297 S C 0.938 175.635 174.600 0.163 0.000 1.329 297 S CA -0.433 57.862 58.200 0.158 0.000 1.036 297 S CB 0.854 64.136 63.200 0.137 0.000 0.919 297 S HN 0.649 nan 8.310 nan 0.000 0.515 298 M N 4.719 124.394 119.600 0.125 0.000 2.358 298 M HA 0.049 4.528 4.480 -0.001 0.000 0.264 298 M C 1.132 177.465 176.300 0.055 0.000 1.064 298 M CA 1.479 56.823 55.300 0.075 0.000 1.093 298 M CB -0.808 31.803 32.600 0.017 0.000 1.401 298 M HN 0.822 nan 8.290 nan 0.000 0.440 299 F N -0.665 119.243 119.950 -0.071 0.000 2.134 299 F HA -0.164 4.363 4.527 -0.001 0.000 0.299 299 F C 1.851 177.559 175.800 -0.153 0.000 1.097 299 F CA 1.651 59.560 58.000 -0.152 0.000 1.264 299 F CB -0.438 38.450 39.000 -0.186 0.000 1.001 299 F HN -0.029 nan 8.300 nan 0.000 0.479 300 V N -0.214 119.699 119.914 -0.002 0.000 2.358 300 V HA -0.266 3.853 4.120 -0.001 0.000 0.246 300 V C 2.343 178.317 176.094 -0.200 0.000 1.047 300 V CA 1.361 63.579 62.300 -0.138 0.000 1.035 300 V CB -0.666 31.121 31.823 -0.061 0.000 0.658 300 V HN 0.243 nan 8.190 nan 0.000 0.452 301 L N 0.543 121.716 121.223 -0.084 0.000 2.012 301 L HA -0.168 4.172 4.340 -0.001 0.000 0.210 301 L C 2.634 179.388 176.870 -0.194 0.000 1.073 301 L CA 2.419 57.184 54.840 -0.126 0.000 0.748 301 L CB -1.291 40.821 42.059 0.088 0.000 0.891 301 L HN 0.298 nan 8.230 nan 0.000 0.431 302 A N -0.885 121.849 122.820 -0.143 0.000 1.883 302 A HA -0.293 4.027 4.320 -0.001 0.000 0.217 302 A C 2.450 179.896 177.584 -0.231 0.000 1.186 302 A CA 2.155 54.101 52.037 -0.153 0.000 0.624 302 A CB -0.573 18.283 19.000 -0.240 0.000 0.822 302 A HN 0.419 nan 8.150 nan 0.000 0.444 303 K N -0.355 119.824 120.400 -0.369 0.000 2.057 303 K HA -0.059 4.261 4.320 -0.001 0.000 0.207 303 K C 1.910 178.337 176.600 -0.289 0.000 1.049 303 K CA 1.394 57.480 56.287 -0.335 0.000 0.931 303 K CB -0.292 31.933 32.500 -0.458 0.000 0.714 303 K HN 0.489 nan 8.250 nan 0.000 0.440 304 L N -0.004 121.015 121.223 -0.339 0.000 2.093 304 L HA -0.165 4.175 4.340 -0.001 0.000 0.208 304 L C 2.330 179.119 176.870 -0.135 0.000 1.085 304 L CA 0.980 55.624 54.840 -0.326 0.000 0.755 304 L CB -0.492 41.344 42.059 -0.372 0.000 0.904 304 L HN 0.199 nan 8.230 nan 0.000 0.435 305 Y N -0.148 120.171 120.300 0.032 0.000 2.242 305 Y HA -0.173 4.376 4.550 -0.001 0.000 0.291 305 Y C 2.779 178.649 175.900 -0.051 0.000 1.137 305 Y CA 0.891 59.001 58.100 0.017 0.000 1.181 305 Y CB -0.644 37.797 38.460 -0.032 0.000 0.989 305 Y HN 0.096 nan 8.280 nan 0.000 0.527 306 R N 0.413 120.934 120.500 0.035 0.000 2.081 306 R HA -0.154 4.185 4.340 -0.001 0.000 0.235 306 R C 2.018 178.295 176.300 -0.038 0.000 1.131 306 R CA 1.443 57.520 56.100 -0.038 0.000 0.960 306 R CB -0.505 29.716 30.300 -0.131 0.000 0.856 306 R HN 0.338 nan 8.270 nan 0.000 0.436 307 L N 0.480 121.623 121.223 -0.134 0.000 2.017 307 L HA -0.199 4.141 4.340 -0.001 0.000 0.208 307 L C 2.533 179.365 176.870 -0.063 0.000 1.073 307 L CA 1.372 56.044 54.840 -0.279 0.000 0.745 307 L CB -0.428 41.045 42.059 -0.976 0.000 0.894 307 L HN 0.261 nan 8.230 nan 0.000 0.432 308 I N -0.346 120.238 120.570 0.023 0.000 2.194 308 I HA -0.235 3.935 4.170 -0.001 0.000 0.246 308 I C 1.446 177.675 176.117 0.187 0.000 1.093 308 I CA 1.497 62.958 61.300 0.267 0.000 1.355 308 I CB -0.455 37.735 38.000 0.317 0.000 1.046 308 I HN 0.551 nan 8.210 nan 0.000 0.413 309 G N 0.506 109.377 108.800 0.118 0.000 2.157 309 G HA2 -0.102 3.857 3.960 -0.001 0.000 0.114 309 G HA3 -0.102 3.857 3.960 -0.001 0.000 0.114 309 G C 0.024 174.956 174.900 0.053 0.000 1.041 309 G CA -0.763 44.386 45.100 0.082 0.000 0.714 309 G HN 0.059 nan 8.290 nan 0.000 0.492 310 I N 1.759 122.352 120.570 0.037 0.000 2.587 310 I HA 0.131 4.300 4.170 -0.001 0.000 0.284 310 I C 0.982 177.085 176.117 -0.024 0.000 1.134 310 I CA -0.069 61.215 61.300 -0.027 0.000 1.410 310 I CB 0.465 38.413 38.000 -0.086 0.000 1.392 310 I HN 0.125 nan 8.210 nan 0.000 0.545 311 D N 4.922 125.311 120.400 -0.018 0.000 2.234 311 D HA -0.044 4.595 4.640 -0.001 0.000 0.205 311 D C 0.298 176.616 176.300 0.029 0.000 0.962 311 D CA 1.082 55.098 54.000 0.026 0.000 0.855 311 D CB 0.576 41.410 40.800 0.056 0.000 0.951 311 D HN 0.619 nan 8.370 nan 0.000 0.500 312 Q N 0.225 119.985 119.800 -0.066 0.000 2.289 312 Q HA 0.546 4.885 4.340 -0.001 0.000 0.270 312 Q C -1.510 174.325 176.000 -0.275 0.000 1.038 312 Q CA -0.567 55.177 55.803 -0.099 0.000 0.812 312 Q CB 3.048 31.721 28.738 -0.109 0.000 1.300 312 Q HN -0.064 nan 8.270 nan 0.000 0.427 313 L N 1.146 122.255 121.223 -0.189 0.000 2.422 313 L HA 0.434 4.773 4.340 -0.001 0.000 0.264 313 L C -1.244 175.556 176.870 -0.117 0.000 0.984 313 L CA -0.301 54.421 54.840 -0.197 0.000 0.819 313 L CB 1.902 43.882 42.059 -0.132 0.000 1.330 313 L HN 0.673 nan 8.230 nan 0.000 0.410 314 H N 3.738 122.627 119.070 -0.302 0.000 2.767 314 H HA 0.277 4.833 4.556 -0.001 0.000 0.316 314 H C 0.517 175.717 175.328 -0.213 0.000 1.059 314 H CA 0.402 56.312 56.048 -0.231 0.000 1.461 314 H CB 1.715 31.300 29.762 -0.296 0.000 1.475 314 H HN 0.653 nan 8.280 nan 0.000 0.531 315 V N 0.900 120.762 119.914 -0.087 0.000 3.151 315 V HA 0.505 4.625 4.120 -0.001 0.000 0.241 315 V C 0.945 177.002 176.094 -0.063 0.000 1.173 315 V CA 0.650 62.899 62.300 -0.085 0.000 1.154 315 V CB 0.645 32.429 31.823 -0.065 0.000 0.898 315 V HN 0.963 nan 8.190 nan 0.000 0.473 316 G N 0.571 109.342 108.800 -0.049 0.000 2.359 316 G HA2 0.246 4.205 3.960 -0.001 0.000 0.303 316 G HA3 0.246 4.205 3.960 -0.001 0.000 0.303 316 G C 0.111 174.998 174.900 -0.022 0.000 1.293 316 G CA 0.459 45.548 45.100 -0.018 0.000 0.964 316 G HN 0.952 nan 8.290 nan 0.000 0.531 317 T N -2.476 112.072 114.554 -0.010 0.000 3.044 317 T HA 0.599 4.949 4.350 -0.001 0.000 0.260 317 T C 1.378 176.068 174.700 -0.016 0.000 1.019 317 T CA 1.617 63.705 62.100 -0.019 0.000 0.921 317 T CB 0.448 69.304 68.868 -0.021 0.000 1.053 317 T HN 2.679 nan 8.240 nan 0.000 0.533 318 A N 0.351 123.167 122.820 -0.006 0.000 2.971 318 A HA 0.249 4.568 4.320 -0.001 0.000 0.280 318 A C 1.755 179.339 177.584 -0.001 0.000 1.430 318 A CA 0.925 52.961 52.037 -0.002 0.000 0.749 318 A CB -2.247 16.750 19.000 -0.004 0.000 1.038 318 A HN 2.119 nan 8.150 nan 0.000 0.510 319 G N -1.935 106.867 108.800 0.003 0.000 2.284 319 G HA2 0.041 4.001 3.960 -0.001 0.000 0.261 319 G HA3 0.041 4.001 3.960 -0.001 0.000 0.261 319 G C 1.507 176.410 174.900 0.005 0.000 0.997 319 G CA 1.360 46.464 45.100 0.007 0.000 0.621 319 G HN 2.432 nan 8.290 nan 0.000 0.534 320 A N 0.352 123.169 122.820 -0.006 0.000 2.238 320 A HA 0.636 4.955 4.320 -0.001 0.000 0.208 320 A C 1.546 179.118 177.584 -0.020 0.000 1.177 320 A CA 1.804 53.832 52.037 -0.016 0.000 0.804 320 A CB -0.193 18.783 19.000 -0.040 0.000 0.823 320 A HN 1.769 nan 8.150 nan 0.000 0.482 321 G N -0.784 108.012 108.800 -0.007 0.000 3.175 321 G HA2 0.431 4.390 3.960 -0.001 0.000 0.255 321 G HA3 0.431 4.390 3.960 -0.001 0.000 0.255 321 G C 0.578 175.488 174.900 0.016 0.000 1.352 321 G CA 0.130 45.229 45.100 -0.002 0.000 1.037 321 G HN 0.218 nan 8.290 nan 0.000 0.556 322 K N -1.280 119.133 120.400 0.022 0.000 2.361 322 K HA 0.212 4.532 4.320 -0.001 0.000 0.196 322 K C -0.173 176.444 176.600 0.028 0.000 1.039 322 K CA 0.151 56.455 56.287 0.028 0.000 1.001 322 K CB -0.177 32.343 32.500 0.032 0.000 0.795 322 K HN 0.141 nan 8.250 nan 0.000 0.495 323 L N 2.397 123.638 121.223 0.030 0.000 2.322 323 L HA 0.320 4.660 4.340 -0.001 0.000 0.279 323 L C 0.161 177.047 176.870 0.027 0.000 1.036 323 L CA -0.354 54.504 54.840 0.029 0.000 0.807 323 L CB 1.094 43.180 42.059 0.046 0.000 1.226 323 L HN 0.157 nan 8.230 nan 0.000 0.433 324 E N 1.036 121.247 120.200 0.019 0.000 2.558 324 E HA 0.431 4.781 4.350 -0.001 0.000 0.255 324 E C 0.599 177.216 176.600 0.029 0.000 0.968 324 E CA 0.442 56.853 56.400 0.019 0.000 0.939 324 E CB -0.120 29.586 29.700 0.009 0.000 0.921 324 E HN 0.989 nan 8.360 nan 0.000 0.477 325 G N 1.037 109.851 108.800 0.022 0.000 3.747 325 G HA2 0.583 4.542 3.960 -0.001 0.000 0.289 325 G HA3 0.583 4.542 3.960 -0.001 0.000 0.289 325 G C -0.061 174.846 174.900 0.011 0.000 3.650 325 G CA 0.305 45.417 45.100 0.021 0.000 0.560 325 G HN 0.989 nan 8.290 nan 0.000 0.267 326 E N 1.394 121.598 120.200 0.006 0.000 2.437 326 E HA 0.257 4.607 4.350 -0.001 0.000 0.263 326 E C 1.390 177.992 176.600 0.005 0.000 1.030 326 E CA 0.413 56.815 56.400 0.004 0.000 0.934 326 E CB 0.569 30.267 29.700 -0.003 0.000 0.943 326 E HN 0.751 nan 8.360 nan 0.000 0.444 327 R N 1.044 121.548 120.500 0.007 0.000 2.096 327 R HA -0.224 4.116 4.340 -0.001 0.000 0.240 327 R C 2.369 178.677 176.300 0.013 0.000 1.139 327 R CA 2.992 59.097 56.100 0.009 0.000 0.952 327 R CB -0.863 29.443 30.300 0.009 0.000 0.854 327 R HN 0.861 nan 8.270 nan 0.000 0.436 328 D N 0.634 121.042 120.400 0.013 0.000 2.078 328 D HA -0.132 4.508 4.640 -0.001 0.000 0.193 328 D C 1.976 178.289 176.300 0.022 0.000 0.990 328 D CA 1.730 55.742 54.000 0.021 0.000 0.827 328 D CB -0.545 40.265 40.800 0.016 0.000 0.975 328 D HN 0.385 nan 8.370 nan 0.000 0.451 329 I N 0.785 121.355 120.570 0.001 0.000 2.335 329 I HA -0.189 3.980 4.170 -0.001 0.000 0.251 329 I C 2.729 178.860 176.117 0.023 0.000 1.129 329 I CA 1.732 63.032 61.300 -0.001 0.000 1.402 329 I CB -0.510 37.475 38.000 -0.025 0.000 1.069 329 I HN 0.215 nan 8.210 nan 0.000 0.424 330 T N 1.011 115.575 114.554 0.017 0.000 2.857 330 T HA -0.022 4.327 4.350 -0.001 0.000 0.266 330 T C 1.941 176.656 174.700 0.024 0.000 1.048 330 T CA 1.045 63.153 62.100 0.014 0.000 1.139 330 T CB -0.131 68.740 68.868 0.005 0.000 0.874 330 T HN 0.251 nan 8.240 nan 0.000 0.455 331 I N 1.055 121.645 120.570 0.035 0.000 2.286 331 I HA -0.184 3.985 4.170 -0.001 0.000 0.248 331 I C 2.796 178.961 176.117 0.081 0.000 1.115 331 I CA 0.977 62.307 61.300 0.049 0.000 1.392 331 I CB -0.273 37.758 38.000 0.052 0.000 1.065 331 I HN 0.168 nan 8.210 nan 0.000 0.418 332 Q N 0.616 120.474 119.800 0.098 0.000 2.050 332 Q HA -0.174 4.165 4.340 -0.001 0.000 0.202 332 Q C 1.975 178.080 176.000 0.174 0.000 0.980 332 Q CA 1.375 57.272 55.803 0.157 0.000 0.840 332 Q CB -0.795 27.954 28.738 0.018 0.000 0.898 332 Q HN 0.516 nan 8.270 nan 0.000 0.424 333 N N 1.080 119.843 118.700 0.106 0.000 2.037 333 N HA -0.185 4.555 4.740 -0.001 0.000 0.196 333 N C 1.675 177.145 175.510 -0.065 0.000 1.034 333 N CA 1.862 54.910 53.050 -0.002 0.000 0.861 333 N CB -0.463 38.015 38.487 -0.016 0.000 1.039 333 N HN 0.319 nan 8.380 nan 0.000 0.427 334 A N 1.156 123.964 122.820 -0.021 0.000 1.930 334 A HA -0.063 4.257 4.320 -0.001 0.000 0.217 334 A C 2.285 179.846 177.584 -0.038 0.000 1.175 334 A CA 1.002 53.020 52.037 -0.031 0.000 0.627 334 A CB -0.325 18.675 19.000 -0.001 0.000 0.815 334 A HN 0.224 nan 8.150 nan 0.000 0.443 335 R N -1.205 119.309 120.500 0.023 0.000 2.073 335 R HA -0.087 4.252 4.340 -0.001 0.000 0.234 335 R C 1.856 178.145 176.300 -0.018 0.000 1.134 335 R CA 1.516 57.665 56.100 0.083 0.000 0.952 335 R CB -0.452 30.013 30.300 0.275 0.000 0.850 335 R HN 0.484 nan 8.270 nan 0.000 0.433 336 I N 0.869 121.334 120.570 -0.175 0.000 2.916 336 I HA -0.141 4.028 4.170 -0.001 0.000 0.267 336 I C 1.652 177.486 176.117 -0.472 0.000 1.263 336 I CA 1.063 62.109 61.300 -0.424 0.000 1.471 336 I CB 0.061 37.505 38.000 -0.926 0.000 1.089 336 I HN 0.140 nan 8.210 nan 0.000 0.468 337 L N -0.820 120.198 121.223 -0.341 0.000 2.249 337 L HA 0.006 4.345 4.340 -0.001 0.000 0.207 337 L C 2.328 178.990 176.870 -0.347 0.000 1.090 337 L CA 0.706 55.352 54.840 -0.322 0.000 0.802 337 L CB -0.232 41.712 42.059 -0.192 0.000 0.947 337 L HN 0.105 nan 8.230 nan 0.000 0.453 338 R N -0.734 119.601 120.500 -0.275 0.000 2.250 338 R HA 0.133 4.472 4.340 -0.001 0.000 0.194 338 R C 0.158 176.325 176.300 -0.222 0.000 0.927 338 R CA -0.063 55.900 56.100 -0.229 0.000 1.052 338 R CB 0.397 30.610 30.300 -0.145 0.000 1.055 338 R HN 0.289 nan 8.270 nan 0.000 0.537 339 E N 1.170 121.250 120.200 -0.200 0.000 2.338 339 E HA 0.012 4.362 4.350 -0.001 0.000 0.272 339 E C 0.602 177.152 176.600 -0.083 0.000 1.029 339 E CA -0.064 56.295 56.400 -0.067 0.000 0.872 339 E CB 1.430 31.195 29.700 0.108 0.000 1.015 339 E HN 0.116 nan 8.360 nan 0.000 0.417 340 S N 2.188 117.908 115.700 0.034 0.000 2.414 340 S HA -0.148 4.322 4.470 -0.001 0.000 0.227 340 S C 0.691 175.448 174.600 0.262 0.000 1.022 340 S CA 0.683 58.949 58.200 0.109 0.000 0.958 340 S CB -0.049 63.189 63.200 0.063 0.000 0.797 340 S HN 0.679 nan 8.310 nan 0.000 0.493 341 H N -0.368 118.788 119.070 0.143 0.000 3.036 341 H HA 0.363 4.918 4.556 -0.001 0.000 0.295 341 H C -1.678 173.765 175.328 0.193 0.000 1.124 341 H CA -1.174 54.959 56.048 0.141 0.000 1.507 341 H CB 0.520 30.299 29.762 0.028 0.000 1.591 341 H HN 0.343 nan 8.280 nan 0.000 0.510 342 Y N 5.415 125.977 120.300 0.436 0.000 2.480 342 Y HA 0.220 4.770 4.550 -0.001 0.000 0.341 342 Y C -0.817 175.270 175.900 0.312 0.000 1.031 342 Y CA -0.197 58.100 58.100 0.329 0.000 1.295 342 Y CB 0.324 39.002 38.460 0.362 0.000 1.162 342 Y HN 0.453 nan 8.280 nan 0.000 0.523 343 K N 9.227 129.410 120.400 -0.362 0.000 2.394 343 K HA 0.335 4.655 4.320 -0.001 0.000 0.260 343 K C -2.663 173.596 176.600 -0.569 0.000 0.967 343 K CA -1.992 54.086 56.287 -0.347 0.000 0.855 343 K CB 1.341 33.706 32.500 -0.226 0.000 1.101 343 K HN 0.493 nan 8.250 nan 0.000 0.433 344 P HA 0.002 nan 4.420 nan 0.000 0.271 344 P C -0.562 176.655 177.300 -0.138 0.000 1.218 344 P CA -0.191 62.748 63.100 -0.268 0.000 0.780 344 P CB 0.616 32.316 31.700 -0.001 0.000 0.901 345 D N 1.136 121.492 120.400 -0.073 0.000 2.390 345 D HA 0.006 4.645 4.640 -0.001 0.000 0.236 345 D C 1.822 178.092 176.300 -0.050 0.000 1.189 345 D CA 0.379 54.350 54.000 -0.049 0.000 0.887 345 D CB 0.338 41.130 40.800 -0.013 0.000 1.198 345 D HN 0.537 nan 8.370 nan 0.000 0.444 346 E N 1.571 121.743 120.200 -0.047 0.000 2.209 346 E HA -0.250 4.100 4.350 -0.001 0.000 0.196 346 E C 1.189 177.755 176.600 -0.057 0.000 0.993 346 E CA 1.701 58.072 56.400 -0.049 0.000 0.819 346 E CB -0.830 28.847 29.700 -0.039 0.000 0.745 346 E HN 0.604 nan 8.360 nan 0.000 0.477 347 N N -0.181 118.488 118.700 -0.051 0.000 2.280 347 N HA 0.013 4.752 4.740 -0.001 0.000 0.192 347 N C -0.032 175.418 175.510 -0.100 0.000 1.109 347 N CA 0.417 53.427 53.050 -0.066 0.000 0.855 347 N CB 0.239 38.705 38.487 -0.036 0.000 0.974 347 N HN 0.226 nan 8.380 nan 0.000 0.482 348 D N 1.176 121.528 120.400 -0.081 0.000 2.344 348 D HA 0.003 4.642 4.640 -0.001 0.000 0.253 348 D C 1.033 177.192 176.300 -0.236 0.000 1.255 348 D CA -0.212 53.734 54.000 -0.091 0.000 0.894 348 D CB 1.257 42.066 40.800 0.015 0.000 1.067 348 D HN 0.093 nan 8.370 nan 0.000 0.492 349 V N 2.135 121.764 119.914 -0.475 0.000 3.596 349 V HA 0.184 4.304 4.120 -0.001 0.000 0.289 349 V C 0.887 176.566 176.094 -0.692 0.000 1.336 349 V CA 0.268 62.179 62.300 -0.649 0.000 1.137 349 V CB -0.913 30.348 31.823 -0.937 0.000 0.966 349 V HN 0.269 nan 8.190 nan 0.000 0.428 350 F N 0.770 120.474 119.950 -0.410 0.000 2.343 350 F HA 0.413 4.940 4.527 -0.001 0.000 0.286 350 F C 1.329 176.811 175.800 -0.530 0.000 1.057 350 F CA 0.134 57.787 58.000 -0.578 0.000 1.365 350 F CB -0.218 38.208 39.000 -0.956 0.000 1.114 350 F HN 0.310 nan 8.300 nan 0.000 0.545 351 H N -0.300 118.787 119.070 0.028 0.000 2.529 351 H HA 0.619 5.174 4.556 -0.001 0.000 0.348 351 H C -0.638 174.795 175.328 0.175 0.000 1.152 351 H CA -0.900 55.162 56.048 0.024 0.000 1.202 351 H CB 1.642 31.295 29.762 -0.182 0.000 1.562 351 H HN -0.143 nan 8.280 nan 0.000 0.515 352 L N 0.860 122.311 121.223 0.380 0.000 2.352 352 L HA 0.279 4.619 4.340 -0.001 0.000 0.269 352 L C 0.575 177.704 176.870 0.431 0.000 1.034 352 L CA -0.852 54.161 54.840 0.288 0.000 0.806 352 L CB 1.408 43.574 42.059 0.178 0.000 1.244 352 L HN 0.647 nan 8.230 nan 0.000 0.447 353 E N 1.639 122.003 120.200 0.273 0.000 2.413 353 E HA 0.008 4.357 4.350 -0.001 0.000 0.263 353 E C -0.927 175.913 176.600 0.399 0.000 1.015 353 E CA -0.021 56.570 56.400 0.318 0.000 0.916 353 E CB 0.767 30.589 29.700 0.204 0.000 0.947 353 E HN 0.422 nan 8.360 nan 0.000 0.440 354 Q N 3.240 123.272 119.800 0.387 0.000 2.275 354 Q HA 0.250 4.589 4.340 -0.001 0.000 0.258 354 Q C -1.799 174.113 176.000 -0.147 0.000 0.960 354 Q CA -0.572 55.306 55.803 0.125 0.000 0.801 354 Q CB 1.229 29.947 28.738 -0.033 0.000 1.302 354 Q HN 0.355 nan 8.270 nan 0.000 0.433 355 K N 3.155 123.325 120.400 -0.383 0.000 2.174 355 K HA 0.336 4.656 4.320 -0.001 0.000 0.275 355 K C -0.342 175.908 176.600 -0.585 0.000 1.015 355 K CA -0.174 55.746 56.287 -0.611 0.000 0.933 355 K CB 0.712 32.636 32.500 -0.959 0.000 1.025 355 K HN 0.600 nan 8.250 nan 0.000 0.463 356 F N 1.074 120.844 119.950 -0.300 0.000 2.682 356 F HA 0.100 4.626 4.527 -0.001 0.000 0.308 356 F C 0.143 175.961 175.800 0.031 0.000 1.093 356 F CA -0.279 57.671 58.000 -0.082 0.000 1.244 356 F CB -0.050 38.913 39.000 -0.061 0.000 1.052 356 F HN 0.636 nan 8.300 nan 0.000 0.573 357 Y N -0.477 119.884 120.300 0.102 0.000 2.817 357 Y HA -0.505 4.045 4.550 -0.001 0.000 0.471 357 Y C 2.183 178.128 175.900 0.074 0.000 1.142 357 Y CA 1.324 59.461 58.100 0.061 0.000 2.725 357 Y CB -1.880 36.593 38.460 0.022 0.000 1.169 357 Y HN 0.038 nan 8.280 nan 0.000 0.619 358 S N 0.341 116.195 115.700 0.257 0.000 2.577 358 S HA 0.277 4.746 4.470 -0.001 0.000 0.219 358 S C 0.178 174.848 174.600 0.116 0.000 0.962 358 S CA -0.092 58.191 58.200 0.140 0.000 0.921 358 S CB -0.128 63.131 63.200 0.098 0.000 0.789 358 S HN 0.302 nan 8.310 nan 0.000 0.497 359 I N 3.530 124.199 120.570 0.166 0.000 2.505 359 I HA 0.163 4.333 4.170 -0.001 0.000 0.287 359 I C 0.726 176.873 176.117 0.050 0.000 1.104 359 I CA 0.040 61.422 61.300 0.137 0.000 1.387 359 I CB -0.259 37.886 38.000 0.241 0.000 1.404 359 I HN 0.249 nan 8.210 nan 0.000 0.528 360 K N 4.231 124.636 120.400 0.008 0.000 2.336 360 K HA 0.301 4.621 4.320 -0.001 0.000 0.262 360 K C 0.316 176.850 176.600 -0.109 0.000 0.992 360 K CA -0.372 55.890 56.287 -0.042 0.000 0.927 360 K CB 0.568 33.049 32.500 -0.031 0.000 0.956 360 K HN 0.729 nan 8.250 nan 0.000 0.495 361 A N 1.410 124.143 122.820 -0.145 0.000 2.409 361 A HA 0.435 4.754 4.320 -0.001 0.000 0.262 361 A C -0.129 177.345 177.584 -0.183 0.000 1.113 361 A CA -0.334 51.577 52.037 -0.210 0.000 0.790 361 A CB 0.333 19.202 19.000 -0.217 0.000 1.046 361 A HN 0.715 nan 8.150 nan 0.000 0.496 362 A N 1.956 124.670 122.820 -0.177 0.000 2.286 362 A HA 0.646 4.966 4.320 -0.001 0.000 0.286 362 A C -0.551 176.988 177.584 -0.076 0.000 1.097 362 A CA -0.393 51.583 52.037 -0.101 0.000 0.821 362 A CB 0.173 19.123 19.000 -0.084 0.000 1.076 362 A HN 0.742 nan 8.150 nan 0.000 0.490 363 F N 2.157 122.059 119.950 -0.079 0.000 2.413 363 F HA 0.380 4.907 4.527 -0.001 0.000 0.359 363 F C -2.053 173.693 175.800 -0.090 0.000 1.122 363 F CA -2.451 55.510 58.000 -0.065 0.000 1.160 363 F CB 1.002 39.980 39.000 -0.037 0.000 1.146 363 F HN 0.235 nan 8.300 nan 0.000 0.514 364 P HA 0.094 nan 4.420 nan 0.000 0.267 364 P C -0.815 176.496 177.300 0.019 0.000 1.209 364 P CA 0.161 63.299 63.100 0.065 0.000 0.763 364 P CB 0.525 32.253 31.700 0.046 0.000 0.816 365 T N 2.052 116.540 114.554 -0.109 0.000 2.786 365 T HA 0.452 4.801 4.350 -0.001 0.000 0.283 365 T C -0.179 174.341 174.700 -0.301 0.000 0.992 365 T CA -0.605 61.350 62.100 -0.242 0.000 0.954 365 T CB 0.556 69.182 68.868 -0.403 0.000 0.934 365 T HN 0.316 nan 8.240 nan 0.000 0.440 366 S N 2.135 117.718 115.700 -0.194 0.000 2.454 366 S HA 0.842 5.311 4.470 -0.001 0.000 0.306 366 S C -0.349 174.185 174.600 -0.109 0.000 1.100 366 S CA -0.773 57.346 58.200 -0.133 0.000 1.087 366 S CB 1.607 64.767 63.200 -0.067 0.000 1.019 366 S HN 0.682 nan 8.310 nan 0.000 0.480 367 S N 1.828 117.495 115.700 -0.055 0.000 2.552 367 S HA 0.779 5.249 4.470 -0.001 0.000 0.272 367 S C -0.390 174.247 174.600 0.062 0.000 1.150 367 S CA 0.100 58.313 58.200 0.021 0.000 0.849 367 S CB 0.998 64.251 63.200 0.089 0.000 1.113 367 S HN 2.585 nan 8.310 nan 0.000 0.458 368 G N 0.911 109.744 108.800 0.055 0.000 2.768 368 G HA2 0.457 4.417 3.960 -0.001 0.000 0.666 368 G HA3 0.457 4.417 3.960 -0.001 0.000 0.666 368 G C 0.962 175.870 174.900 0.013 0.000 1.162 368 G CA 0.476 45.607 45.100 0.051 0.000 1.226 368 G HN 2.340 nan 8.290 nan 0.000 0.535 369 G N -0.447 108.350 108.800 -0.005 0.000 2.149 369 G HA2 -0.081 3.878 3.960 -0.001 0.000 0.235 369 G HA3 -0.081 3.878 3.960 -0.001 0.000 0.235 369 G C 0.360 175.218 174.900 -0.070 0.000 1.018 369 G CA 0.459 45.545 45.100 -0.023 0.000 0.728 369 G HN 1.428 nan 8.290 nan 0.000 0.508 370 L N 0.280 121.437 121.223 -0.110 0.000 2.334 370 L HA 0.856 5.195 4.340 -0.001 0.000 0.275 370 L C 0.649 177.367 176.870 -0.253 0.000 1.036 370 L CA -1.149 53.568 54.840 -0.205 0.000 0.807 370 L CB 1.489 43.463 42.059 -0.143 0.000 1.231 370 L HN 0.583 nan 8.230 nan 0.000 0.438 371 H N -0.278 118.627 119.070 -0.275 0.000 2.966 371 H HA 0.387 4.942 4.556 -0.001 0.000 0.330 371 H C -2.634 172.581 175.328 -0.189 0.000 1.292 371 H CA -2.036 53.790 56.048 -0.371 0.000 1.127 371 H CB 0.479 29.825 29.762 -0.693 0.000 1.863 371 H HN 0.124 nan 8.280 nan 0.000 0.543 372 P HA -0.049 nan 4.420 nan 0.000 0.226 372 P C 1.172 178.493 177.300 0.036 0.000 1.146 372 P CA 2.062 65.171 63.100 0.015 0.000 0.773 372 P CB -0.063 31.694 31.700 0.096 0.000 0.772 373 G N -0.060 108.843 108.800 0.171 0.000 2.595 373 G HA2 -0.097 3.862 3.960 -0.001 0.000 0.213 373 G HA3 -0.097 3.862 3.960 -0.001 0.000 0.213 373 G C 0.896 175.760 174.900 -0.061 0.000 1.141 373 G CA 0.075 45.208 45.100 0.055 0.000 0.806 373 G HN 0.345 nan 8.290 nan 0.000 0.530 374 N N 0.608 119.011 118.700 -0.495 0.000 2.338 374 N HA 0.115 4.855 4.740 -0.001 0.000 0.251 374 N C 1.385 176.761 175.510 -0.223 0.000 1.199 374 N CA -0.282 52.586 53.050 -0.305 0.000 0.879 374 N CB -0.234 38.007 38.487 -0.410 0.000 1.159 374 N HN 0.491 nan 8.380 nan 0.000 0.514 375 I N -3.373 117.092 120.570 -0.174 0.000 2.628 375 I HA 0.058 4.228 4.170 -0.001 0.000 0.255 375 I C 1.986 178.062 176.117 -0.068 0.000 1.119 375 I CA 0.087 61.313 61.300 -0.122 0.000 1.448 375 I CB -0.345 37.580 38.000 -0.125 0.000 1.133 375 I HN -0.086 nan 8.210 nan 0.000 0.438 376 Q N 1.620 121.394 119.800 -0.044 0.000 2.118 376 Q HA -0.207 4.133 4.340 -0.001 0.000 0.211 376 Q C -0.221 175.765 176.000 -0.023 0.000 0.998 376 Q CA 2.795 58.583 55.803 -0.026 0.000 0.872 376 Q CB -1.504 27.232 28.738 -0.002 0.000 0.925 376 Q HN 0.472 nan 8.270 nan 0.000 0.414 377 P HA -0.115 nan 4.420 nan 0.000 0.221 377 P C 1.250 178.537 177.300 -0.021 0.000 1.145 377 P CA 1.045 64.134 63.100 -0.017 0.000 0.795 377 P CB 0.032 31.723 31.700 -0.016 0.000 0.775 378 V N -0.729 119.166 119.914 -0.031 0.000 2.331 378 V HA -0.113 4.006 4.120 -0.001 0.000 0.242 378 V C 2.320 178.403 176.094 -0.018 0.000 1.034 378 V CA 1.218 63.501 62.300 -0.028 0.000 1.027 378 V CB -0.940 30.858 31.823 -0.041 0.000 0.667 378 V HN 0.015 nan 8.190 nan 0.000 0.457 379 I N 0.894 121.451 120.570 -0.021 0.000 2.361 379 I HA -0.199 3.970 4.170 -0.001 0.000 0.251 379 I C 2.926 179.038 176.117 -0.008 0.000 1.133 379 I CA 1.677 62.969 61.300 -0.013 0.000 1.413 379 I CB -0.687 37.300 38.000 -0.022 0.000 1.073 379 I HN 0.509 nan 8.210 nan 0.000 0.424 380 E N 1.287 121.481 120.200 -0.011 0.000 2.072 380 E HA -0.095 4.254 4.350 -0.001 0.000 0.190 380 E C 2.328 178.927 176.600 -0.001 0.000 0.982 380 E CA 1.315 57.711 56.400 -0.007 0.000 0.803 380 E CB -0.685 29.010 29.700 -0.009 0.000 0.755 380 E HN 0.588 nan 8.360 nan 0.000 0.453 381 A N -0.272 122.547 122.820 -0.001 0.000 1.968 381 A HA 0.251 4.570 4.320 -0.001 0.000 0.217 381 A C 2.301 179.891 177.584 0.010 0.000 1.169 381 A CA 1.415 53.455 52.037 0.005 0.000 0.638 381 A CB -0.025 18.977 19.000 0.004 0.000 0.812 381 A HN 0.422 nan 8.150 nan 0.000 0.446 382 L N -2.370 118.858 121.223 0.009 0.000 2.672 382 L HA 0.406 4.745 4.340 -0.001 0.000 0.236 382 L C 1.233 178.114 176.870 0.019 0.000 1.092 382 L CA 0.271 55.120 54.840 0.015 0.000 0.887 382 L CB -0.159 41.908 42.059 0.013 0.000 1.168 382 L HN 0.585 nan 8.230 nan 0.000 0.502 383 G N 1.016 109.824 108.800 0.015 0.000 2.627 383 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.214 383 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.214 383 G C 0.450 175.368 174.900 0.030 0.000 1.331 383 G CA -0.018 45.093 45.100 0.018 0.000 0.891 383 G HN 0.155 nan 8.290 nan 0.000 0.539 384 T N -3.016 111.560 114.554 0.037 0.000 3.060 384 T HA 0.292 4.642 4.350 -0.001 0.000 0.249 384 T C 0.622 175.392 174.700 0.116 0.000 1.079 384 T CA 1.198 63.332 62.100 0.057 0.000 1.013 384 T CB 0.341 69.233 68.868 0.040 0.000 0.975 384 T HN 0.388 nan 8.240 nan 0.000 0.518 385 D N 2.696 123.165 120.400 0.115 0.000 2.713 385 D HA 0.389 5.029 4.640 -0.001 0.000 0.229 385 D C 0.047 176.561 176.300 0.357 0.000 1.136 385 D CA -0.198 53.916 54.000 0.190 0.000 1.010 385 D CB -0.358 40.443 40.800 0.002 0.000 1.084 385 D HN 0.727 nan 8.370 nan 0.000 0.495 386 I N -3.233 117.586 120.570 0.415 0.000 3.102 386 I HA 0.560 4.730 4.170 -0.001 0.000 0.310 386 I C -1.003 175.092 176.117 -0.038 0.000 1.246 386 I CA -1.251 60.201 61.300 0.254 0.000 0.979 386 I CB 2.048 40.106 38.000 0.097 0.000 1.267 386 I HN -0.363 nan 8.210 nan 0.000 0.451 387 V N 4.120 123.920 119.914 -0.191 0.000 2.398 387 V HA 0.446 4.565 4.120 -0.001 0.000 0.286 387 V C -0.068 175.998 176.094 -0.046 0.000 1.026 387 V CA -0.443 61.719 62.300 -0.229 0.000 0.868 387 V CB 1.433 33.063 31.823 -0.322 0.000 0.982 387 V HN 0.469 nan 8.190 nan 0.000 0.443 388 L N 4.846 126.098 121.223 0.048 0.000 2.272 388 L HA 0.525 4.864 4.340 -0.001 0.000 0.289 388 L C -0.053 176.905 176.870 0.147 0.000 1.032 388 L CA -0.236 54.650 54.840 0.078 0.000 0.810 388 L CB 1.436 43.546 42.059 0.084 0.000 1.205 388 L HN 0.532 nan 8.230 nan 0.000 0.422 389 Q N 4.500 124.362 119.800 0.104 0.000 2.348 389 Q HA 0.407 4.746 4.340 -0.001 0.000 0.265 389 Q C -1.613 174.431 176.000 0.073 0.000 0.998 389 Q CA -0.724 55.145 55.803 0.109 0.000 0.831 389 Q CB 1.687 30.532 28.738 0.178 0.000 1.251 389 Q HN 0.407 nan 8.270 nan 0.000 0.456 390 L N 4.143 125.413 121.223 0.077 0.000 2.353 390 L HA 0.477 4.816 4.340 -0.001 0.000 0.270 390 L C 0.937 177.821 176.870 0.023 0.000 1.003 390 L CA -0.117 54.759 54.840 0.060 0.000 0.862 390 L CB 1.566 43.691 42.059 0.110 0.000 1.221 390 L HN 0.753 nan 8.230 nan 0.000 0.430 391 G N 1.754 110.557 108.800 0.005 0.000 2.632 391 G HA2 0.072 4.031 3.960 -0.001 0.000 0.220 391 G HA3 0.072 4.031 3.960 -0.001 0.000 0.220 391 G C 1.275 176.173 174.900 -0.004 0.000 1.439 391 G CA 0.542 45.645 45.100 0.004 0.000 0.934 391 G HN 0.687 nan 8.290 nan 0.000 0.536 392 G N 0.480 109.276 108.800 -0.007 0.000 2.499 392 G HA2 0.076 4.035 3.960 -0.001 0.000 0.221 392 G HA3 0.076 4.035 3.960 -0.001 0.000 0.221 392 G C 1.554 176.415 174.900 -0.066 0.000 1.109 392 G CA 1.377 46.479 45.100 0.004 0.000 0.749 392 G HN 0.733 nan 8.290 nan 0.000 0.568 393 G N -0.981 107.695 108.800 -0.206 0.000 2.920 393 G HA2 0.186 4.145 3.960 -0.001 0.000 0.208 393 G HA3 0.186 4.145 3.960 -0.001 0.000 0.208 393 G C 1.429 176.205 174.900 -0.206 0.000 1.159 393 G CA 1.319 46.114 45.100 -0.507 0.000 0.784 393 G HN 0.378 nan 8.290 nan 0.000 0.535 394 T N 0.399 114.960 114.554 0.010 0.000 3.071 394 T HA 0.105 4.454 4.350 -0.001 0.000 0.239 394 T C 2.093 176.895 174.700 0.169 0.000 0.997 394 T CA 0.005 62.177 62.100 0.119 0.000 1.134 394 T CB 0.035 68.975 68.868 0.120 0.000 0.928 394 T HN 0.021 nan 8.240 nan 0.000 0.453 395 L N 1.705 122.999 121.223 0.118 0.000 2.109 395 L HA 0.227 4.567 4.340 -0.001 0.000 0.207 395 L C 2.670 179.662 176.870 0.203 0.000 1.086 395 L CA 1.450 56.358 54.840 0.113 0.000 0.760 395 L CB -1.291 40.797 42.059 0.048 0.000 0.910 395 L HN 0.381 nan 8.230 nan 0.000 0.437 396 G N -2.165 106.818 108.800 0.306 0.000 2.625 396 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.214 396 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.214 396 G C 0.809 175.952 174.900 0.405 0.000 1.132 396 G CA -0.081 45.274 45.100 0.426 0.000 0.782 396 G HN 0.401 nan 8.290 nan 0.000 0.538 397 H N 1.590 120.890 119.070 0.384 0.000 3.073 397 H HA -0.022 4.533 4.556 -0.001 0.000 0.340 397 H C -1.044 174.249 175.328 -0.058 0.000 1.054 397 H CA -0.319 55.813 56.048 0.139 0.000 1.372 397 H CB 1.681 31.538 29.762 0.158 0.000 1.314 397 H HN 0.067 nan 8.280 nan 0.000 0.603 398 P HA -0.028 nan 4.420 nan 0.000 0.229 398 P C -0.148 177.119 177.300 -0.055 0.000 1.160 398 P CA 0.813 63.738 63.100 -0.293 0.000 0.777 398 P CB 0.517 31.954 31.700 -0.438 0.000 0.814 399 D N -0.372 120.159 120.400 0.219 0.000 2.538 399 D HA 0.379 5.019 4.640 -0.001 0.000 0.231 399 D C 0.837 177.240 176.300 0.171 0.000 1.229 399 D CA 0.173 54.298 54.000 0.209 0.000 0.828 399 D CB 0.370 41.308 40.800 0.230 0.000 1.035 399 D HN 0.125 nan 8.370 nan 0.000 0.495 400 G N 1.593 110.496 108.800 0.172 0.000 2.712 400 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.686 400 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.686 400 G C -2.243 172.680 174.900 0.039 0.000 1.181 400 G CA -1.057 44.087 45.100 0.073 0.000 0.762 400 G HN -0.145 nan 8.290 nan 0.000 0.641 401 P HA -0.120 nan 4.420 nan 0.000 0.216 401 P C 2.321 179.584 177.300 -0.063 0.000 1.153 401 P CA 2.961 66.059 63.100 -0.003 0.000 0.858 401 P CB 0.049 31.733 31.700 -0.028 0.000 0.789 402 A N -0.078 122.694 122.820 -0.080 0.000 1.908 402 A HA -0.178 4.142 4.320 -0.001 0.000 0.218 402 A C 2.335 179.831 177.584 -0.146 0.000 1.181 402 A CA 2.364 54.339 52.037 -0.103 0.000 0.627 402 A CB -1.613 17.335 19.000 -0.087 0.000 0.818 402 A HN 0.225 nan 8.150 nan 0.000 0.445 403 A N -0.777 121.914 122.820 -0.216 0.000 1.968 403 A HA 0.218 4.537 4.320 -0.001 0.000 0.217 403 A C 2.336 179.545 177.584 -0.626 0.000 1.169 403 A CA 1.624 53.429 52.037 -0.386 0.000 0.638 403 A CB -1.172 17.577 19.000 -0.418 0.000 0.812 403 A HN 0.733 nan 8.150 nan 0.000 0.446 404 G N -0.610 107.860 108.800 -0.551 0.000 2.443 404 G HA2 0.073 4.032 3.960 -0.001 0.000 0.219 404 G HA3 0.073 4.032 3.960 -0.001 0.000 0.219 404 G C 1.578 176.435 174.900 -0.072 0.000 1.131 404 G CA 1.205 46.172 45.100 -0.222 0.000 0.775 404 G HN 0.712 nan 8.290 nan 0.000 0.547 405 A N 0.732 123.513 122.820 -0.066 0.000 1.930 405 A HA 0.149 4.469 4.320 -0.001 0.000 0.215 405 A C 2.408 179.960 177.584 -0.054 0.000 1.176 405 A CA 1.108 53.157 52.037 0.020 0.000 0.632 405 A CB -0.245 18.772 19.000 0.029 0.000 0.819 405 A HN 0.312 nan 8.150 nan 0.000 0.445 406 R N -0.296 120.153 120.500 -0.086 0.000 2.115 406 R HA -0.016 4.323 4.340 -0.001 0.000 0.230 406 R C 2.442 178.706 176.300 -0.060 0.000 1.111 406 R CA 1.012 57.073 56.100 -0.066 0.000 0.976 406 R CB -0.407 29.858 30.300 -0.058 0.000 0.870 406 R HN 0.506 nan 8.270 nan 0.000 0.445 407 A N 0.839 123.614 122.820 -0.075 0.000 1.845 407 A HA -0.142 4.178 4.320 -0.001 0.000 0.215 407 A C 2.342 179.887 177.584 -0.066 0.000 1.195 407 A CA 1.568 53.602 52.037 -0.005 0.000 0.616 407 A CB -0.824 18.236 19.000 0.099 0.000 0.832 407 A HN 0.101 nan 8.150 nan 0.000 0.443 408 V N 0.420 120.232 119.914 -0.171 0.000 2.324 408 V HA -0.300 3.820 4.120 -0.001 0.000 0.250 408 V C 2.812 178.688 176.094 -0.363 0.000 1.060 408 V CA 2.281 64.364 62.300 -0.362 0.000 1.042 408 V CB -0.890 30.448 31.823 -0.808 0.000 0.650 408 V HN 0.454 nan 8.190 nan 0.000 0.450 409 R N -0.139 120.175 120.500 -0.310 0.000 2.073 409 R HA -0.158 4.181 4.340 -0.001 0.000 0.234 409 R C 2.313 178.535 176.300 -0.131 0.000 1.134 409 R CA 1.637 57.621 56.100 -0.193 0.000 0.952 409 R CB -0.813 29.427 30.300 -0.099 0.000 0.850 409 R HN 0.648 nan 8.270 nan 0.000 0.433 410 Q N 0.110 119.862 119.800 -0.080 0.000 2.014 410 Q HA -0.179 4.161 4.340 -0.001 0.000 0.207 410 Q C 2.202 178.121 176.000 -0.135 0.000 0.993 410 Q CA 2.122 57.902 55.803 -0.039 0.000 0.850 410 Q CB -0.383 28.369 28.738 0.023 0.000 0.916 410 Q HN 0.381 nan 8.270 nan 0.000 0.417 411 A N 1.230 123.985 122.820 -0.107 0.000 1.859 411 A HA -0.264 4.055 4.320 -0.001 0.000 0.218 411 A C 2.091 179.555 177.584 -0.201 0.000 1.209 411 A CA 1.956 53.915 52.037 -0.131 0.000 0.639 411 A CB -1.092 17.852 19.000 -0.093 0.000 0.835 411 A HN 0.393 nan 8.150 nan 0.000 0.450 412 I N -0.320 120.138 120.570 -0.187 0.000 2.248 412 I HA -0.301 3.869 4.170 -0.001 0.000 0.248 412 I C 1.989 177.993 176.117 -0.190 0.000 1.107 412 I CA 1.697 62.897 61.300 -0.167 0.000 1.373 412 I CB -0.656 37.256 38.000 -0.147 0.000 1.055 412 I HN 0.309 nan 8.210 nan 0.000 0.418 413 D N 1.000 121.264 120.400 -0.226 0.000 2.123 413 D HA -0.158 4.482 4.640 -0.001 0.000 0.196 413 D C 2.257 178.280 176.300 -0.462 0.000 0.992 413 D CA 1.648 55.487 54.000 -0.269 0.000 0.833 413 D CB -0.149 40.524 40.800 -0.212 0.000 0.954 413 D HN 0.373 nan 8.370 nan 0.000 0.455 414 A N 0.968 123.352 122.820 -0.728 0.000 1.851 414 A HA -0.171 4.149 4.320 -0.001 0.000 0.216 414 A C 2.443 179.812 177.584 -0.357 0.000 1.195 414 A CA 1.211 52.764 52.037 -0.806 0.000 0.622 414 A CB -0.893 17.672 19.000 -0.724 0.000 0.831 414 A HN 0.211 nan 8.150 nan 0.000 0.444 415 I N -0.559 119.866 120.570 -0.241 0.000 2.151 415 I HA -0.326 3.843 4.170 -0.001 0.000 0.243 415 I C 2.514 178.560 176.117 -0.117 0.000 1.080 415 I CA 1.485 62.702 61.300 -0.139 0.000 1.339 415 I CB -0.450 37.487 38.000 -0.104 0.000 1.039 415 I HN 0.289 nan 8.210 nan 0.000 0.409 416 M N 0.257 119.781 119.600 -0.127 0.000 2.346 416 M HA -0.223 4.257 4.480 -0.001 0.000 0.263 416 M C 2.366 178.617 176.300 -0.082 0.000 1.064 416 M CA 2.015 57.263 55.300 -0.088 0.000 1.083 416 M CB -1.338 31.215 32.600 -0.080 0.000 1.399 416 M HN 0.534 nan 8.290 nan 0.000 0.435 417 Q N -1.064 118.664 119.800 -0.119 0.000 2.282 417 Q HA 0.456 4.796 4.340 -0.001 0.000 0.206 417 Q C 1.642 177.604 176.000 -0.063 0.000 0.878 417 Q CA 1.211 56.962 55.803 -0.086 0.000 0.944 417 Q CB -0.164 28.511 28.738 -0.106 0.000 1.100 417 Q HN 0.680 nan 8.270 nan 0.000 0.509 418 G N 0.123 108.880 108.800 -0.072 0.000 2.253 418 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.251 418 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.251 418 G C 0.566 175.443 174.900 -0.038 0.000 0.998 418 G CA 0.100 45.173 45.100 -0.044 0.000 0.621 418 G HN 0.694 nan 8.290 nan 0.000 0.524 419 I N 3.180 123.720 120.570 -0.050 0.000 2.775 419 I HA 0.164 4.334 4.170 -0.001 0.000 0.290 419 I C -1.578 174.532 176.117 -0.012 0.000 1.203 419 I CA -1.313 59.982 61.300 -0.009 0.000 1.433 419 I CB 0.523 38.539 38.000 0.026 0.000 1.354 419 I HN -0.014 nan 8.210 nan 0.000 0.579 420 P HA 0.069 nan 4.420 nan 0.000 0.275 420 P C 0.958 178.314 177.300 0.092 0.000 1.227 420 P CA -0.173 62.955 63.100 0.047 0.000 0.781 420 P CB 0.647 32.377 31.700 0.050 0.000 0.906 421 L N 2.594 123.874 121.223 0.096 0.000 1.970 421 L HA -0.235 4.104 4.340 -0.001 0.000 0.212 421 L C 2.405 179.378 176.870 0.171 0.000 1.071 421 L CA 3.211 58.136 54.840 0.142 0.000 0.751 421 L CB -2.597 39.554 42.059 0.153 0.000 0.889 421 L HN 0.521 nan 8.230 nan 0.000 0.432 422 D N -0.823 119.673 120.400 0.160 0.000 2.220 422 D HA -0.154 4.486 4.640 -0.001 0.000 0.198 422 D C 2.112 178.481 176.300 0.116 0.000 1.001 422 D CA 3.544 57.626 54.000 0.137 0.000 0.875 422 D CB -0.631 40.239 40.800 0.117 0.000 0.921 422 D HN 0.958 nan 8.370 nan 0.000 0.454 423 E N -1.586 118.689 120.200 0.124 0.000 2.086 423 E HA 0.081 4.431 4.350 -0.001 0.000 0.190 423 E C 1.930 178.626 176.600 0.160 0.000 0.975 423 E CA 0.801 57.272 56.400 0.117 0.000 0.813 423 E CB -0.939 28.824 29.700 0.105 0.000 0.768 423 E HN 0.765 nan 8.360 nan 0.000 0.457 424 Y N 1.093 121.431 120.300 0.062 0.000 2.224 424 Y HA 0.030 4.579 4.550 -0.001 0.000 0.289 424 Y C 2.789 178.792 175.900 0.172 0.000 1.146 424 Y CA 1.470 59.621 58.100 0.086 0.000 1.182 424 Y CB -0.512 37.937 38.460 -0.020 0.000 0.983 424 Y HN 0.300 nan 8.280 nan 0.000 0.524 425 A N 0.592 123.530 122.820 0.197 0.000 1.908 425 A HA -0.276 4.044 4.320 -0.001 0.000 0.218 425 A C 2.337 179.965 177.584 0.074 0.000 1.181 425 A CA 2.782 54.902 52.037 0.139 0.000 0.627 425 A CB -1.412 17.660 19.000 0.121 0.000 0.818 425 A HN 0.458 nan 8.150 nan 0.000 0.445 426 K N -0.595 119.837 120.400 0.053 0.000 2.304 426 K HA -0.185 4.134 4.320 -0.001 0.000 0.204 426 K C 1.459 178.033 176.600 -0.043 0.000 1.044 426 K CA 2.399 58.692 56.287 0.010 0.000 0.932 426 K CB -1.637 30.871 32.500 0.014 0.000 0.735 426 K HN 1.112 nan 8.250 nan 0.000 0.468 427 T N -3.499 111.005 114.554 -0.083 0.000 3.380 427 T HA 0.435 4.785 4.350 -0.001 0.000 0.289 427 T C -0.518 173.854 174.700 -0.546 0.000 1.012 427 T CA -0.447 61.497 62.100 -0.259 0.000 0.944 427 T CB -0.405 68.279 68.868 -0.307 0.000 1.172 427 T HN 0.520 nan 8.240 nan 0.000 0.502 428 H N 0.018 118.993 119.070 -0.158 0.000 3.059 428 H HA 0.537 5.092 4.556 -0.001 0.000 0.302 428 H C 1.183 176.490 175.328 -0.035 0.000 1.264 428 H CA -0.267 55.711 56.048 -0.117 0.000 1.615 428 H CB 1.127 30.799 29.762 -0.150 0.000 1.795 428 H HN 0.148 nan 8.280 nan 0.000 0.556 429 K N 1.854 122.272 120.400 0.031 0.000 2.000 429 K HA -0.264 4.056 4.320 -0.001 0.000 0.218 429 K C 1.743 178.402 176.600 0.099 0.000 1.053 429 K CA 2.385 58.696 56.287 0.041 0.000 0.946 429 K CB -0.640 31.868 32.500 0.014 0.000 0.723 429 K HN 0.636 nan 8.250 nan 0.000 0.446 430 E N 0.268 120.539 120.200 0.118 0.000 2.065 430 E HA -0.189 4.160 4.350 -0.001 0.000 0.201 430 E C 2.034 178.788 176.600 0.257 0.000 1.016 430 E CA 1.431 57.945 56.400 0.190 0.000 0.818 430 E CB -0.462 29.263 29.700 0.043 0.000 0.749 430 E HN 0.410 nan 8.360 nan 0.000 0.453 431 L N 0.654 121.985 121.223 0.179 0.000 1.970 431 L HA -0.195 4.144 4.340 -0.001 0.000 0.212 431 L C 2.119 179.067 176.870 0.129 0.000 1.071 431 L CA 2.409 57.346 54.840 0.161 0.000 0.751 431 L CB -1.193 40.963 42.059 0.161 0.000 0.889 431 L HN 0.146 nan 8.230 nan 0.000 0.432 432 A N -0.523 122.359 122.820 0.104 0.000 1.851 432 A HA -0.242 4.078 4.320 -0.001 0.000 0.216 432 A C 2.298 179.884 177.584 0.004 0.000 1.195 432 A CA 1.907 53.975 52.037 0.053 0.000 0.622 432 A CB -0.643 18.380 19.000 0.038 0.000 0.831 432 A HN 0.471 nan 8.150 nan 0.000 0.444 433 R N -0.321 120.182 120.500 0.005 0.000 2.133 433 R HA -0.189 4.150 4.340 -0.001 0.000 0.247 433 R C 2.341 178.490 176.300 -0.252 0.000 1.151 433 R CA 1.616 57.654 56.100 -0.102 0.000 0.971 433 R CB -1.363 28.910 30.300 -0.045 0.000 0.866 433 R HN 0.593 nan 8.270 nan 0.000 0.447 434 A N 0.940 123.687 122.820 -0.122 0.000 1.854 434 A HA -0.058 4.261 4.320 -0.001 0.000 0.214 434 A C 2.448 179.980 177.584 -0.086 0.000 1.192 434 A CA 0.885 52.849 52.037 -0.122 0.000 0.611 434 A CB -0.577 18.597 19.000 0.290 0.000 0.832 434 A HN 0.197 nan 8.150 nan 0.000 0.442 435 L N -0.411 120.806 121.223 -0.010 0.000 2.051 435 L HA -0.272 4.067 4.340 -0.001 0.000 0.214 435 L C 3.143 179.951 176.870 -0.104 0.000 1.076 435 L CA 1.989 56.803 54.840 -0.043 0.000 0.758 435 L CB -1.014 41.038 42.059 -0.012 0.000 0.890 435 L HN 0.634 nan 8.230 nan 0.000 0.433 436 E N 0.744 120.863 120.200 -0.136 0.000 2.085 436 E HA -0.306 4.044 4.350 -0.001 0.000 0.194 436 E C 2.169 178.624 176.600 -0.242 0.000 0.994 436 E CA 1.865 58.171 56.400 -0.156 0.000 0.801 436 E CB -0.477 29.130 29.700 -0.155 0.000 0.743 436 E HN 0.564 nan 8.360 nan 0.000 0.453 437 K N -1.703 118.444 120.400 -0.423 0.000 2.044 437 K HA -0.064 4.256 4.320 -0.001 0.000 0.204 437 K C 1.939 178.195 176.600 -0.573 0.000 1.049 437 K CA 1.295 57.199 56.287 -0.638 0.000 0.945 437 K CB -0.083 31.736 32.500 -1.134 0.000 0.724 437 K HN 0.581 nan 8.250 nan 0.000 0.440 438 W N 0.014 121.145 121.300 -0.282 0.000 2.808 438 W HA 0.249 4.908 4.660 -0.001 0.000 0.266 438 W C 1.462 177.785 176.519 -0.328 0.000 1.247 438 W CA 0.620 57.705 57.345 -0.433 0.000 1.440 438 W CB -0.369 28.520 29.460 -0.952 0.000 1.040 438 W HN 0.501 nan 8.180 nan 0.000 0.606 439 G N 1.597 110.360 108.800 -0.063 0.000 3.581 439 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.336 439 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.336 439 G C 0.574 175.310 174.900 -0.274 0.000 1.259 439 G CA 1.445 46.497 45.100 -0.081 0.000 1.001 439 G HN 0.498 nan 8.290 nan 0.000 0.662 440 H N -0.506 118.702 119.070 0.230 0.000 3.359 440 H HA 0.471 5.026 4.556 -0.001 0.000 0.258 440 H C 1.174 176.645 175.328 0.239 0.000 1.164 440 H CA 0.310 56.523 56.048 0.275 0.000 1.008 440 H CB -0.653 29.193 29.762 0.141 0.000 2.548 440 H HN 0.918 nan 8.280 nan 0.000 0.733 441 V N 1.329 121.436 119.914 0.322 0.000 3.566 441 V HA 0.234 4.353 4.120 -0.001 0.000 0.301 441 V C 0.680 176.918 176.094 0.240 0.000 1.105 441 V CA 0.662 63.102 62.300 0.234 0.000 1.142 441 V CB 0.324 32.250 31.823 0.173 0.000 1.107 441 V HN 0.258 nan 8.190 nan 0.000 0.481 442 T N 3.562 118.204 114.554 0.148 0.000 3.068 442 T HA 0.520 4.869 4.350 -0.001 0.000 0.364 442 T C -2.519 172.230 174.700 0.081 0.000 1.161 442 T CA -0.690 61.471 62.100 0.101 0.000 1.155 442 T CB 0.729 69.637 68.868 0.067 0.000 1.060 442 T HN 0.811 nan 8.240 nan 0.000 0.513 443 P HA 0.200 nan 4.420 nan 0.000 0.264 443 P C -0.608 176.723 177.300 0.051 0.000 1.173 443 P CA -0.019 63.121 63.100 0.067 0.000 0.761 443 P CB 0.555 32.289 31.700 0.057 0.000 0.794 444 V N 0.000 119.942 119.914 0.047 0.000 2.409 444 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 444 V CA 0.000 62.323 62.300 0.038 0.000 1.235 444 V CB 0.000 31.845 31.823 0.037 0.000 1.184 444 V HN 0.000 nan 8.190 nan 0.000 0.556