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 3a13_1_C 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 HXDGPAAGAR 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 0.000 174.779 174.700 0.131 0.000 1.109 7 T CA 0.000 62.163 62.100 0.105 0.000 1.349 7 T CB 0.000 68.902 68.868 0.057 0.000 0.612 8 I N 0.728 121.327 120.570 0.049 0.000 2.145 8 I HA -0.020 4.149 4.170 -0.000 0.000 0.244 8 I C 2.517 178.765 176.117 0.218 0.000 1.075 8 I CA 3.004 64.315 61.300 0.017 0.000 1.332 8 I CB -1.848 36.034 38.000 -0.197 0.000 1.033 8 I HN 0.670 nan 8.210 nan 0.000 0.410 9 Y N 1.105 121.556 120.300 0.252 0.000 2.475 9 Y HA 0.170 4.720 4.550 -0.000 0.000 0.289 9 Y C 2.762 178.868 175.900 0.344 0.000 1.121 9 Y CA 0.487 58.769 58.100 0.304 0.000 1.257 9 Y CB -1.326 37.234 38.460 0.166 0.000 1.026 9 Y HN 0.609 nan 8.280 nan 0.000 0.555 10 D N -1.194 119.438 120.400 0.386 0.000 2.350 10 D HA -0.207 4.432 4.640 -0.000 0.000 0.216 10 D C 1.707 178.143 176.300 0.226 0.000 0.968 10 D CA 0.686 54.840 54.000 0.257 0.000 0.894 10 D CB -1.019 39.882 40.800 0.167 0.000 0.909 10 D HN 0.527 nan 8.370 nan 0.000 0.520 11 Y N -0.543 119.837 120.300 0.132 0.000 2.352 11 Y HA -0.038 4.512 4.550 -0.000 0.000 0.292 11 Y C 1.264 177.056 175.900 -0.178 0.000 1.136 11 Y CA 1.188 59.251 58.100 -0.061 0.000 1.227 11 Y CB -0.050 38.324 38.460 -0.143 0.000 0.991 11 Y HN 0.328 nan 8.280 nan 0.000 0.545 12 Y N -0.599 119.741 120.300 0.066 0.000 2.490 12 Y HA 0.213 4.763 4.550 -0.000 0.000 0.281 12 Y C 0.270 176.123 175.900 -0.078 0.000 1.174 12 Y CA -0.294 57.767 58.100 -0.066 0.000 1.295 12 Y CB 0.053 38.534 38.460 0.035 0.000 1.062 12 Y HN -0.220 nan 8.280 nan 0.000 0.522 13 V N 1.230 121.188 119.914 0.073 0.000 2.439 13 V HA 0.232 4.352 4.120 -0.000 0.000 0.282 13 V C -0.516 175.591 176.094 0.021 0.000 1.039 13 V CA -0.452 61.909 62.300 0.101 0.000 0.913 13 V CB 1.556 33.447 31.823 0.114 0.000 0.983 13 V HN 0.084 nan 8.190 nan 0.000 0.460 14 D N 3.368 123.825 120.400 0.094 0.000 2.584 14 D HA 0.209 4.849 4.640 -0.000 0.000 0.238 14 D C 0.658 177.081 176.300 0.205 0.000 1.302 14 D CA -0.442 53.602 54.000 0.074 0.000 0.884 14 D CB 0.971 41.764 40.800 -0.012 0.000 1.456 14 D HN 0.478 nan 8.370 nan 0.000 0.528 15 K N 0.252 120.755 120.400 0.173 0.000 2.504 15 K HA 0.091 4.411 4.320 -0.000 0.000 0.195 15 K C 1.596 178.309 176.600 0.188 0.000 1.036 15 K CA 0.644 57.061 56.287 0.217 0.000 0.984 15 K CB 0.536 33.089 32.500 0.089 0.000 0.788 15 K HN 0.275 nan 8.250 nan 0.000 0.488 16 G N 0.183 109.070 108.800 0.146 0.000 2.986 16 G HA2 -0.116 3.843 3.960 -0.000 0.000 0.213 16 G HA3 -0.116 3.843 3.960 -0.000 0.000 0.213 16 G C -0.084 174.878 174.900 0.104 0.000 1.156 16 G CA -0.301 44.861 45.100 0.103 0.000 0.763 16 G HN 0.210 nan 8.290 nan 0.000 0.547 17 Y N 1.535 121.853 120.300 0.030 0.000 2.442 17 Y HA 0.439 4.989 4.550 -0.000 0.000 0.330 17 Y C -0.201 175.626 175.900 -0.123 0.000 1.129 17 Y CA -0.713 57.358 58.100 -0.048 0.000 1.365 17 Y CB 0.918 39.339 38.460 -0.064 0.000 1.233 17 Y HN 0.006 nan 8.280 nan 0.000 0.529 18 E N 8.476 128.186 120.200 -0.816 0.000 2.113 18 E HA 0.374 4.723 4.350 -0.000 0.000 0.273 18 E C -2.626 173.366 176.600 -1.013 0.000 0.924 18 E CA -2.788 53.209 56.400 -0.672 0.000 0.764 18 E CB 0.820 30.295 29.700 -0.375 0.000 1.104 18 E HN 0.371 nan 8.360 nan 0.000 0.406 19 P HA 0.014 nan 4.420 nan 0.000 0.269 19 P C -0.624 176.538 177.300 -0.231 0.000 1.209 19 P CA -0.287 62.574 63.100 -0.397 0.000 0.776 19 P CB 1.121 32.618 31.700 -0.337 0.000 0.876 20 S N 2.044 117.710 115.700 -0.057 0.000 2.430 20 S HA 0.155 4.624 4.470 -0.000 0.000 0.289 20 S C 1.148 175.808 174.600 0.100 0.000 1.143 20 S CA -0.609 57.598 58.200 0.011 0.000 1.067 20 S CB 0.105 63.344 63.200 0.066 0.000 0.964 20 S HN 0.271 nan 8.310 nan 0.000 0.485 21 K N 3.001 123.443 120.400 0.070 0.000 2.152 21 K HA -0.046 4.274 4.320 -0.000 0.000 0.206 21 K C 1.383 178.144 176.600 0.269 0.000 1.048 21 K CA 1.093 57.464 56.287 0.139 0.000 0.933 21 K CB 0.024 32.571 32.500 0.079 0.000 0.721 21 K HN 0.499 nan 8.250 nan 0.000 0.447 22 K N 0.122 120.633 120.400 0.184 0.000 2.356 22 K HA 0.047 4.366 4.320 -0.000 0.000 0.195 22 K C 1.545 178.258 176.600 0.189 0.000 1.037 22 K CA 0.668 57.048 56.287 0.155 0.000 1.014 22 K CB 0.415 32.971 32.500 0.094 0.000 0.815 22 K HN 0.144 nan 8.250 nan 0.000 0.507 23 R N 0.062 120.727 120.500 0.276 0.000 2.369 23 R HA 0.129 4.468 4.340 -0.000 0.000 0.210 23 R C -0.327 176.260 176.300 0.479 0.000 0.881 23 R CA -0.055 56.315 56.100 0.450 0.000 1.031 23 R CB 0.736 31.246 30.300 0.349 0.000 1.184 23 R HN -0.012 nan 8.270 nan 0.000 0.581 24 D N 0.933 121.562 120.400 0.382 0.000 2.233 24 D HA 0.224 4.864 4.640 -0.000 0.000 0.240 24 D C -0.485 176.089 176.300 0.457 0.000 1.074 24 D CA -0.436 53.796 54.000 0.387 0.000 0.838 24 D CB 1.754 42.747 40.800 0.321 0.000 1.124 24 D HN -0.143 nan 8.370 nan 0.000 0.475 25 I N 2.439 123.270 120.570 0.435 0.000 2.496 25 I HA 0.125 4.295 4.170 -0.000 0.000 0.285 25 I C 0.367 176.808 176.117 0.539 0.000 1.080 25 I CA 0.108 61.662 61.300 0.424 0.000 1.404 25 I CB 0.468 38.620 38.000 0.253 0.000 1.403 25 I HN 0.168 nan 8.210 nan 0.000 0.539 26 I N 6.155 127.052 120.570 0.544 0.000 2.389 26 I HA 0.534 4.703 4.170 -0.000 0.000 0.288 26 I C -0.065 176.248 176.117 0.327 0.000 0.999 26 I CA -0.592 60.988 61.300 0.466 0.000 1.129 26 I CB 1.514 39.750 38.000 0.393 0.000 1.288 26 I HN 0.613 nan 8.210 nan 0.000 0.444 27 A N 6.630 129.637 122.820 0.312 0.000 2.274 27 A HA 0.698 5.018 4.320 -0.000 0.000 0.309 27 A C -0.427 177.059 177.584 -0.163 0.000 1.226 27 A CA -0.443 51.587 52.037 -0.011 0.000 0.853 27 A CB 0.771 19.765 19.000 -0.011 0.000 1.146 27 A HN 0.470 nan 8.150 nan 0.000 0.518 28 V N 3.591 123.329 119.914 -0.294 0.000 2.328 28 V HA 0.400 4.520 4.120 -0.000 0.000 0.278 28 V C -0.872 175.016 176.094 -0.343 0.000 1.021 28 V CA -0.068 62.107 62.300 -0.208 0.000 0.838 28 V CB -0.001 31.775 31.823 -0.079 0.000 0.999 28 V HN 0.681 nan 8.190 nan 0.000 0.447 29 F N 3.207 123.172 119.950 0.025 0.000 2.480 29 F HA 0.604 5.131 4.527 -0.000 0.000 0.329 29 F C 0.529 176.374 175.800 0.076 0.000 1.091 29 F CA -0.843 57.184 58.000 0.044 0.000 0.972 29 F CB 1.638 40.639 39.000 0.001 0.000 1.150 29 F HN 0.307 nan 8.300 nan 0.000 0.467 30 R N 2.411 123.102 120.500 0.318 0.000 2.205 30 R HA 0.586 4.926 4.340 -0.000 0.000 0.342 30 R C -1.741 174.746 176.300 0.312 0.000 1.058 30 R CA -0.241 56.035 56.100 0.292 0.000 0.904 30 R CB 0.407 30.860 30.300 0.255 0.000 1.089 30 R HN 0.555 nan 8.270 nan 0.000 0.471 31 V N 4.170 124.260 119.914 0.293 0.000 2.398 31 V HA 0.310 4.429 4.120 -0.000 0.000 0.286 31 V C -0.129 176.142 176.094 0.296 0.000 1.026 31 V CA -0.546 61.896 62.300 0.238 0.000 0.868 31 V CB 1.881 33.782 31.823 0.129 0.000 0.982 31 V HN 0.745 nan 8.190 nan 0.000 0.443 32 T N 7.646 122.355 114.554 0.257 0.000 2.821 32 T HA 0.383 4.733 4.350 -0.000 0.000 0.307 32 T C -2.644 172.155 174.700 0.165 0.000 1.034 32 T CA -1.247 60.998 62.100 0.241 0.000 0.953 32 T CB 1.483 70.475 68.868 0.207 0.000 0.968 32 T HN 0.399 nan 8.240 nan 0.000 0.462 33 P HA 0.285 nan 4.420 nan 0.000 0.269 33 P C -0.331 177.043 177.300 0.125 0.000 1.209 33 P CA -0.358 62.813 63.100 0.118 0.000 0.776 33 P CB 0.433 32.214 31.700 0.136 0.000 0.876 34 A N 2.610 125.494 122.820 0.106 0.000 2.386 34 A HA 0.118 4.438 4.320 -0.000 0.000 0.246 34 A C 0.426 178.152 177.584 0.235 0.000 1.089 34 A CA -0.253 51.866 52.037 0.137 0.000 0.790 34 A CB -0.236 18.818 19.000 0.089 0.000 1.042 34 A HN 0.468 nan 8.150 nan 0.000 0.497 35 E N -0.137 120.171 120.200 0.180 0.000 2.417 35 E HA 0.312 4.662 4.350 -0.000 0.000 0.261 35 E C 1.134 177.810 176.600 0.125 0.000 1.000 35 E CA 1.519 57.999 56.400 0.133 0.000 0.919 35 E CB 0.565 30.313 29.700 0.080 0.000 0.955 35 E HN 1.379 nan 8.360 nan 0.000 0.455 36 G N 3.177 111.995 108.800 0.031 0.000 2.175 36 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.244 36 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.244 36 G C -0.319 174.388 174.900 -0.322 0.000 0.982 36 G CA -0.051 44.958 45.100 -0.151 0.000 0.641 36 G HN 0.435 nan 8.290 nan 0.000 0.527 37 Y N 1.552 121.871 120.300 0.032 0.000 2.393 37 Y HA 0.586 5.136 4.550 -0.000 0.000 0.341 37 Y C 1.148 177.054 175.900 0.010 0.000 0.988 37 Y CA -0.138 57.978 58.100 0.026 0.000 1.078 37 Y CB 1.677 40.155 38.460 0.030 0.000 1.203 37 Y HN 0.271 nan 8.280 nan 0.000 0.453 38 T N -0.767 113.859 114.554 0.119 0.000 2.813 38 T HA 0.091 4.441 4.350 -0.000 0.000 0.297 38 T C 1.094 175.769 174.700 -0.041 0.000 1.036 38 T CA -0.532 61.577 62.100 0.014 0.000 1.044 38 T CB 0.837 69.684 68.868 -0.035 0.000 0.993 38 T HN 0.637 nan 8.240 nan 0.000 0.535 39 I N 0.844 121.274 120.570 -0.234 0.000 2.335 39 I HA -0.081 4.089 4.170 -0.000 0.000 0.251 39 I C 2.124 178.157 176.117 -0.140 0.000 1.129 39 I CA 1.549 62.627 61.300 -0.370 0.000 1.402 39 I CB -0.788 36.523 38.000 -1.147 0.000 1.069 39 I HN 0.793 nan 8.210 nan 0.000 0.424 40 E N 0.029 120.132 120.200 -0.163 0.000 2.072 40 E HA -0.215 4.134 4.350 -0.000 0.000 0.191 40 E C 2.231 178.855 176.600 0.040 0.000 0.985 40 E CA 1.284 57.649 56.400 -0.058 0.000 0.801 40 E CB -0.280 29.316 29.700 -0.172 0.000 0.750 40 E HN 0.594 nan 8.360 nan 0.000 0.452 41 Q N -0.352 119.476 119.800 0.048 0.000 2.167 41 Q HA -0.064 4.276 4.340 -0.000 0.000 0.202 41 Q C 2.039 178.068 176.000 0.047 0.000 0.970 41 Q CA 1.241 57.116 55.803 0.119 0.000 0.855 41 Q CB -0.052 28.819 28.738 0.222 0.000 0.911 41 Q HN 0.291 nan 8.270 nan 0.000 0.438 42 A N 0.748 123.567 122.820 -0.001 0.000 1.874 42 A HA 0.042 4.362 4.320 -0.000 0.000 0.214 42 A C 2.263 179.767 177.584 -0.133 0.000 1.189 42 A CA 1.159 53.143 52.037 -0.087 0.000 0.615 42 A CB -0.725 18.243 19.000 -0.053 0.000 0.830 42 A HN 0.358 nan 8.150 nan 0.000 0.443 43 A N -0.216 122.565 122.820 -0.064 0.000 1.940 43 A HA 0.088 4.408 4.320 -0.000 0.000 0.219 43 A C 2.391 179.923 177.584 -0.086 0.000 1.176 43 A CA 2.013 53.997 52.037 -0.087 0.000 0.631 43 A CB -1.443 17.552 19.000 -0.007 0.000 0.814 43 A HN 0.741 nan 8.150 nan 0.000 0.446 44 G N -0.382 108.418 108.800 -0.000 0.000 2.446 44 G HA2 -0.069 3.890 3.960 -0.000 0.000 0.217 44 G HA3 -0.069 3.890 3.960 -0.000 0.000 0.217 44 G C 1.771 176.554 174.900 -0.195 0.000 1.168 44 G CA 1.646 46.772 45.100 0.043 0.000 0.771 44 G HN 0.851 nan 8.290 nan 0.000 0.551 45 A N -0.128 122.435 122.820 -0.428 0.000 1.902 45 A HA 0.088 4.407 4.320 -0.000 0.000 0.217 45 A C 2.626 179.824 177.584 -0.644 0.000 1.181 45 A CA 1.894 53.345 52.037 -0.977 0.000 0.623 45 A CB -0.585 17.894 19.000 -0.868 0.000 0.818 45 A HN 0.275 nan 8.150 nan 0.000 0.443 46 V N -0.238 119.407 119.914 -0.449 0.000 2.270 46 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 46 V C 3.080 178.967 176.094 -0.346 0.000 1.043 46 V CA 1.877 63.915 62.300 -0.436 0.000 1.014 46 V CB -1.249 30.252 31.823 -0.536 0.000 0.645 46 V HN 0.610 nan 8.190 nan 0.000 0.447 47 A N -0.025 122.628 122.820 -0.278 0.000 1.948 47 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 47 A C 2.392 179.749 177.584 -0.379 0.000 1.177 47 A CA 2.401 54.313 52.037 -0.209 0.000 0.636 47 A CB -0.782 18.155 19.000 -0.106 0.000 0.815 47 A HN 0.589 nan 8.150 nan 0.000 0.449 48 A N -0.575 121.844 122.820 -0.668 0.000 1.855 48 A HA -0.109 4.211 4.320 -0.000 0.000 0.215 48 A C 1.889 179.215 177.584 -0.430 0.000 1.191 48 A CA 1.504 52.911 52.037 -1.051 0.000 0.613 48 A CB -0.403 18.129 19.000 -0.780 0.000 0.829 48 A HN 0.450 nan 8.150 nan 0.000 0.442 49 E N 0.491 120.512 120.200 -0.298 0.000 2.427 49 E HA -0.065 4.285 4.350 -0.000 0.000 0.196 49 E C 1.816 178.366 176.600 -0.083 0.000 1.028 49 E CA 1.043 57.362 56.400 -0.135 0.000 0.864 49 E CB -0.169 29.450 29.700 -0.136 0.000 0.813 49 E HN 0.724 nan 8.360 nan 0.000 0.514 50 S N -0.682 114.975 115.700 -0.072 0.000 2.556 50 S HA 0.091 4.561 4.470 -0.000 0.000 0.216 50 S C 1.441 176.141 174.600 0.167 0.000 0.970 50 S CA 0.396 58.630 58.200 0.057 0.000 0.912 50 S CB 0.250 63.529 63.200 0.131 0.000 0.790 50 S HN 0.170 nan 8.310 nan 0.000 0.504 51 S N 1.686 117.431 115.700 0.075 0.000 3.830 51 S HA 0.194 4.664 4.470 -0.000 0.000 0.172 51 S C 1.341 175.956 174.600 0.024 0.000 0.966 51 S CA 0.559 58.803 58.200 0.075 0.000 1.124 51 S CB -0.185 63.076 63.200 0.101 0.000 1.697 51 S HN 0.467 nan 8.310 nan 0.000 0.872 52 T N -0.718 113.871 114.554 0.059 0.000 3.023 52 T HA 0.528 4.878 4.350 -0.000 0.000 0.253 52 T C 0.809 175.701 174.700 0.321 0.000 1.038 52 T CA 0.334 62.531 62.100 0.162 0.000 0.962 52 T CB 0.049 68.944 68.868 0.046 0.000 1.018 52 T HN 0.787 nan 8.240 nan 0.000 0.521 53 G N -0.200 108.720 108.800 0.200 0.000 2.601 53 G HA2 0.620 4.580 3.960 -0.000 0.000 0.317 53 G HA3 0.620 4.580 3.960 -0.000 0.000 0.317 53 G C -1.111 173.906 174.900 0.196 0.000 1.246 53 G CA -0.485 44.782 45.100 0.278 0.000 1.012 53 G HN 0.281 nan 8.290 nan 0.000 0.494 54 T N -1.711 112.965 114.554 0.202 0.000 2.647 54 T HA 0.381 4.731 4.350 -0.000 0.000 0.295 54 T C 0.056 174.791 174.700 0.058 0.000 1.126 54 T CA -0.334 61.881 62.100 0.191 0.000 1.040 54 T CB 0.785 69.708 68.868 0.091 0.000 1.472 54 T HN 0.695 nan 8.240 nan 0.000 0.500 55 W N 0.811 122.118 121.300 0.011 0.000 2.800 55 W HA 0.288 4.947 4.660 -0.000 0.000 0.249 55 W C 0.463 176.849 176.519 -0.221 0.000 1.294 55 W CA 0.592 57.841 57.345 -0.160 0.000 1.402 55 W CB -1.069 28.401 29.460 0.017 0.000 1.126 55 W HN 0.565 nan 8.180 nan 0.000 0.652 56 T N 1.230 115.243 114.554 -0.902 0.000 2.718 56 T HA 0.439 4.789 4.350 -0.000 0.000 0.267 56 T C 0.017 174.452 174.700 -0.442 0.000 0.957 56 T CA 0.240 61.869 62.100 -0.785 0.000 1.025 56 T CB 1.380 69.478 68.868 -1.284 0.000 1.355 56 T HN -0.041 nan 8.240 nan 0.000 0.572 57 T N 1.313 115.670 114.554 -0.328 0.000 2.928 57 T HA 0.718 5.068 4.350 -0.000 0.000 0.284 57 T C -0.855 173.739 174.700 -0.177 0.000 1.008 57 T CA -0.829 61.146 62.100 -0.209 0.000 1.057 57 T CB 0.836 69.613 68.868 -0.151 0.000 1.018 57 T HN 0.265 nan 8.240 nan 0.000 0.493 58 L N 1.345 122.499 121.223 -0.115 0.000 2.333 58 L HA 0.452 4.791 4.340 -0.000 0.000 0.269 58 L C -0.393 176.521 176.870 0.074 0.000 1.010 58 L CA -1.594 53.246 54.840 0.000 0.000 0.818 58 L CB 1.248 43.339 42.059 0.055 0.000 1.306 58 L HN 0.823 nan 8.230 nan 0.000 0.430 59 Y N 4.538 124.879 120.300 0.068 0.000 2.442 59 Y HA 0.247 4.797 4.550 -0.000 0.000 0.330 59 Y C -1.655 174.367 175.900 0.204 0.000 1.129 59 Y CA -1.330 56.824 58.100 0.089 0.000 1.365 59 Y CB 0.863 39.365 38.460 0.070 0.000 1.233 59 Y HN 0.376 nan 8.280 nan 0.000 0.529 60 P HA -0.040 nan 4.420 nan 0.000 0.271 60 P C -0.366 176.873 177.300 -0.102 0.000 1.380 60 P CA 0.284 63.126 63.100 -0.429 0.000 0.992 60 P CB -0.327 31.035 31.700 -0.564 0.000 1.230 61 W N 4.122 125.415 121.300 -0.011 0.000 2.702 61 W HA 0.223 4.883 4.660 -0.000 0.000 0.369 61 W C -1.072 175.522 176.519 0.126 0.000 0.987 61 W CA -0.721 56.723 57.345 0.165 0.000 1.702 61 W CB -0.927 28.697 29.460 0.273 0.000 1.138 61 W HN 0.183 nan 8.180 nan 0.000 0.552 62 Y N -1.200 118.814 120.300 -0.478 0.000 2.625 62 Y HA 0.588 5.138 4.550 -0.000 0.000 0.338 62 Y C -0.398 175.309 175.900 -0.323 0.000 1.123 62 Y CA -2.120 55.644 58.100 -0.560 0.000 1.046 62 Y CB 0.446 38.284 38.460 -1.036 0.000 1.299 62 Y HN -0.070 nan 8.280 nan 0.000 0.464 63 E N 2.140 122.280 120.200 -0.099 0.000 2.220 63 E HA 0.008 4.357 4.350 -0.000 0.000 0.272 63 E C 0.303 176.903 176.600 0.001 0.000 1.099 63 E CA -0.183 56.166 56.400 -0.085 0.000 0.907 63 E CB 0.806 30.495 29.700 -0.018 0.000 1.022 63 E HN 0.731 nan 8.360 nan 0.000 0.428 64 Q N 2.806 122.533 119.800 -0.123 0.000 2.135 64 Q HA -0.240 4.100 4.340 -0.000 0.000 0.204 64 Q C 2.076 178.195 176.000 0.199 0.000 0.981 64 Q CA 2.100 57.909 55.803 0.009 0.000 0.856 64 Q CB -0.577 28.099 28.738 -0.103 0.000 0.902 64 Q HN 0.806 nan 8.270 nan 0.000 0.425 65 E N 1.785 122.041 120.200 0.094 0.000 2.077 65 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 65 E C 1.893 178.553 176.600 0.101 0.000 0.989 65 E CA 1.426 57.880 56.400 0.089 0.000 0.800 65 E CB -0.569 29.154 29.700 0.038 0.000 0.746 65 E HN 0.363 nan 8.360 nan 0.000 0.452 66 R N -1.539 119.023 120.500 0.103 0.000 2.066 66 R HA -0.114 4.226 4.340 -0.000 0.000 0.232 66 R C 2.326 178.682 176.300 0.094 0.000 1.131 66 R CA 1.721 57.868 56.100 0.077 0.000 0.955 66 R CB -0.532 29.803 30.300 0.058 0.000 0.851 66 R HN 0.658 nan 8.270 nan 0.000 0.432 67 W N 1.103 122.394 121.300 -0.015 0.000 2.317 67 W HA -0.280 4.380 4.660 -0.000 0.000 0.318 67 W C 2.020 178.527 176.519 -0.020 0.000 1.227 67 W CA 2.643 59.967 57.345 -0.036 0.000 1.269 67 W CB -0.557 28.921 29.460 0.031 0.000 1.155 67 W HN 0.204 nan 8.180 nan 0.000 0.484 68 A N -0.334 122.460 122.820 -0.044 0.000 1.969 68 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 68 A C 1.662 179.106 177.584 -0.233 0.000 1.169 68 A CA 2.132 53.985 52.037 -0.307 0.000 0.635 68 A CB -1.257 17.782 19.000 0.064 0.000 0.810 68 A HN 0.483 nan 8.150 nan 0.000 0.445 69 D N -0.432 119.899 120.400 -0.114 0.000 2.219 69 D HA -0.069 4.571 4.640 -0.000 0.000 0.205 69 D C 1.489 177.676 176.300 -0.189 0.000 0.970 69 D CA 0.933 54.881 54.000 -0.087 0.000 0.851 69 D CB -0.121 40.685 40.800 0.009 0.000 0.943 69 D HN 0.444 nan 8.370 nan 0.000 0.488 70 L N -0.305 120.754 121.223 -0.274 0.000 2.607 70 L HA 0.239 4.578 4.340 -0.000 0.000 0.228 70 L C 0.534 177.203 176.870 -0.334 0.000 1.123 70 L CA -0.225 54.399 54.840 -0.360 0.000 0.890 70 L CB 0.244 42.107 42.059 -0.327 0.000 1.103 70 L HN -0.142 nan 8.230 nan 0.000 0.468 71 S N 1.026 116.507 115.700 -0.365 0.000 2.548 71 S HA 0.501 4.971 4.470 -0.000 0.000 0.277 71 S C 0.504 174.970 174.600 -0.222 0.000 1.315 71 S CA -0.627 57.411 58.200 -0.270 0.000 1.050 71 S CB 1.444 64.397 63.200 -0.412 0.000 0.918 71 S HN 0.270 nan 8.310 nan 0.000 0.497 72 A N 3.421 126.158 122.820 -0.138 0.000 2.313 72 A HA 0.526 4.846 4.320 -0.000 0.000 0.261 72 A C -0.103 177.317 177.584 -0.272 0.000 1.090 72 A CA -0.415 51.405 52.037 -0.361 0.000 0.807 72 A CB 0.294 18.854 19.000 -0.733 0.000 1.055 72 A HN 0.775 nan 8.150 nan 0.000 0.492 73 K N 0.625 120.810 120.400 -0.359 0.000 2.507 73 K HA 0.533 4.852 4.320 -0.000 0.000 0.252 73 K C -0.746 175.827 176.600 -0.045 0.000 0.943 73 K CA -0.322 55.824 56.287 -0.235 0.000 0.808 73 K CB 2.137 34.371 32.500 -0.443 0.000 1.142 73 K HN 0.755 nan 8.250 nan 0.000 0.426 74 A N 3.064 125.885 122.820 0.002 0.000 2.395 74 A HA 0.208 4.528 4.320 -0.000 0.000 0.286 74 A C -0.064 177.614 177.584 0.157 0.000 1.193 74 A CA 0.006 52.035 52.037 -0.014 0.000 0.852 74 A CB -0.569 18.415 19.000 -0.026 0.000 1.118 74 A HN 0.950 nan 8.150 nan 0.000 0.524 75 Y N 0.111 120.447 120.300 0.061 0.000 2.448 75 Y HA 0.508 5.058 4.550 -0.000 0.000 0.257 75 Y C -0.111 175.925 175.900 0.227 0.000 1.089 75 Y CA -0.428 57.790 58.100 0.197 0.000 1.245 75 Y CB 0.259 38.855 38.460 0.227 0.000 1.282 75 Y HN 0.467 nan 8.280 nan 0.000 0.529 76 D N 0.587 120.687 120.400 -0.500 0.000 2.757 76 D HA 0.462 5.102 4.640 -0.000 0.000 0.249 76 D C -1.836 174.321 176.300 -0.238 0.000 1.168 76 D CA -0.307 53.566 54.000 -0.211 0.000 0.870 76 D CB 1.286 41.866 40.800 -0.367 0.000 1.411 76 D HN 0.065 nan 8.370 nan 0.000 0.525 77 F N 2.186 122.166 119.950 0.050 0.000 2.518 77 F HA 0.363 4.890 4.527 -0.000 0.000 0.323 77 F C -0.483 175.512 175.800 0.325 0.000 1.129 77 F CA -1.001 57.111 58.000 0.187 0.000 0.920 77 F CB 1.890 40.975 39.000 0.141 0.000 1.160 77 F HN 0.370 nan 8.300 nan 0.000 0.440 78 H N 2.166 121.461 119.070 0.375 0.000 2.906 78 H HA 0.230 4.786 4.556 -0.000 0.000 0.324 78 H C -1.170 174.198 175.328 0.068 0.000 0.973 78 H CA -0.772 55.389 56.048 0.188 0.000 1.321 78 H CB 0.999 30.771 29.762 0.018 0.000 1.535 78 H HN 0.502 nan 8.280 nan 0.000 0.518 79 D N 4.902 124.897 120.400 -0.675 0.000 2.383 79 D HA -0.020 4.619 4.640 -0.000 0.000 0.252 79 D C 0.779 176.508 176.300 -0.952 0.000 1.166 79 D CA -0.113 53.097 54.000 -1.317 0.000 0.879 79 D CB 0.927 40.814 40.800 -1.520 0.000 1.164 79 D HN 0.609 nan 8.370 nan 0.000 0.462 80 M N 2.243 121.456 119.600 -0.644 0.000 2.514 80 M HA 0.121 4.601 4.480 -0.000 0.000 0.258 80 M C 1.497 177.650 176.300 -0.245 0.000 1.119 80 M CA 0.671 55.781 55.300 -0.317 0.000 1.111 80 M CB -0.458 32.100 32.600 -0.070 0.000 1.390 80 M HN 0.750 nan 8.290 nan 0.000 0.475 81 G N 1.583 110.188 108.800 -0.324 0.000 2.176 81 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.232 81 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.232 81 G C 0.081 174.918 174.900 -0.105 0.000 0.986 81 G CA 0.573 45.550 45.100 -0.206 0.000 0.643 81 G HN 0.554 nan 8.290 nan 0.000 0.522 82 D N -1.323 119.035 120.400 -0.069 0.000 2.540 82 D HA 0.459 5.098 4.640 -0.000 0.000 0.229 82 D C 1.580 177.884 176.300 0.007 0.000 1.250 82 D CA 0.623 54.625 54.000 0.004 0.000 0.817 82 D CB -0.163 40.692 40.800 0.092 0.000 1.060 82 D HN 1.494 nan 8.370 nan 0.000 0.508 83 G N 0.046 108.844 108.800 -0.002 0.000 2.179 83 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.220 83 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.220 83 G C 0.246 175.252 174.900 0.177 0.000 0.990 83 G CA 0.162 45.309 45.100 0.078 0.000 0.646 83 G HN 0.983 nan 8.290 nan 0.000 0.517 84 S N -0.844 114.940 115.700 0.141 0.000 2.566 84 S HA 0.832 5.301 4.470 -0.000 0.000 0.298 84 S C -0.893 173.796 174.600 0.149 0.000 1.083 84 S CA -0.713 57.660 58.200 0.288 0.000 0.978 84 S CB 2.016 65.451 63.200 0.393 0.000 1.073 84 S HN 0.620 nan 8.310 nan 0.000 0.491 85 W N 1.109 122.490 121.300 0.135 0.000 2.761 85 W HA 0.583 5.243 4.660 -0.000 0.000 0.340 85 W C -0.635 175.946 176.519 0.104 0.000 1.072 85 W CA -1.183 56.225 57.345 0.105 0.000 1.215 85 W CB 1.049 30.584 29.460 0.125 0.000 1.420 85 W HN 0.460 nan 8.180 nan 0.000 0.519 86 I N 3.719 124.469 120.570 0.300 0.000 2.337 86 I HA 0.237 4.407 4.170 -0.000 0.000 0.291 86 I C -0.229 175.942 176.117 0.090 0.000 1.046 86 I CA -0.804 60.603 61.300 0.179 0.000 1.324 86 I CB 0.049 38.096 38.000 0.079 0.000 1.409 86 I HN 0.061 nan 8.210 nan 0.000 0.494 87 V N 7.847 127.759 119.914 -0.003 0.000 2.487 87 V HA 0.447 4.566 4.120 -0.000 0.000 0.298 87 V C 0.255 176.228 176.094 -0.202 0.000 1.028 87 V CA -0.898 61.242 62.300 -0.266 0.000 0.860 87 V CB 2.074 33.675 31.823 -0.371 0.000 0.991 87 V HN 0.633 nan 8.190 nan 0.000 0.427 88 R N 4.847 125.104 120.500 -0.406 0.000 2.312 88 R HA 0.736 5.076 4.340 -0.000 0.000 0.311 88 R C -1.003 175.070 176.300 -0.380 0.000 1.004 88 R CA -0.420 55.454 56.100 -0.377 0.000 0.902 88 R CB 1.529 31.477 30.300 -0.585 0.000 1.073 88 R HN 0.605 nan 8.270 nan 0.000 0.457 89 I N 1.728 122.313 120.570 0.026 0.000 2.466 89 I HA 0.424 4.594 4.170 -0.000 0.000 0.289 89 I C -0.318 175.918 176.117 0.197 0.000 1.026 89 I CA -0.987 60.365 61.300 0.087 0.000 1.078 89 I CB 2.130 40.190 38.000 0.100 0.000 1.249 89 I HN 0.607 nan 8.210 nan 0.000 0.429 90 A N 6.329 129.216 122.820 0.112 0.000 2.305 90 A HA 0.796 5.116 4.320 -0.000 0.000 0.322 90 A C -1.463 175.991 177.584 -0.217 0.000 1.187 90 A CA -0.254 51.850 52.037 0.111 0.000 0.825 90 A CB 0.507 19.577 19.000 0.115 0.000 1.164 90 A HN 0.643 nan 8.150 nan 0.000 0.498 91 Y N 2.365 122.772 120.300 0.178 0.000 2.391 91 Y HA 0.461 5.011 4.550 -0.000 0.000 0.341 91 Y C -2.235 173.758 175.900 0.156 0.000 0.965 91 Y CA -2.510 55.680 58.100 0.150 0.000 1.067 91 Y CB 2.191 40.866 38.460 0.358 0.000 1.199 91 Y HN 0.513 nan 8.280 nan 0.000 0.450 92 P HA -0.020 nan 4.420 nan 0.000 0.271 92 P C 0.527 177.880 177.300 0.089 0.000 1.216 92 P CA -0.203 62.928 63.100 0.051 0.000 0.771 92 P CB 0.621 32.207 31.700 -0.191 0.000 0.864 93 F N 3.053 123.152 119.950 0.249 0.000 2.250 93 F HA -0.193 4.334 4.527 -0.000 0.000 0.301 93 F C 1.836 177.764 175.800 0.213 0.000 1.077 93 F CA 1.292 59.443 58.000 0.252 0.000 1.348 93 F CB -1.697 37.386 39.000 0.138 0.000 1.040 93 F HN 0.426 nan 8.300 nan 0.000 0.509 94 H N -0.263 118.440 119.070 -0.612 0.000 2.543 94 H HA 0.465 5.021 4.556 -0.000 0.000 0.269 94 H C 1.649 176.833 175.328 -0.240 0.000 1.005 94 H CA 0.535 56.358 56.048 -0.375 0.000 1.146 94 H CB -0.717 28.717 29.762 -0.547 0.000 1.353 94 H HN 0.425 nan 8.280 nan 0.000 0.595 95 A N 0.648 123.115 122.820 -0.588 0.000 2.067 95 A HA 0.160 4.480 4.320 -0.000 0.000 0.217 95 A C 0.196 177.380 177.584 -0.667 0.000 1.156 95 A CA 0.048 51.654 52.037 -0.719 0.000 0.683 95 A CB -0.255 18.185 19.000 -0.933 0.000 0.808 95 A HN 0.195 nan 8.150 nan 0.000 0.455 96 F N -0.216 119.699 119.950 -0.058 0.000 2.458 96 F HA 0.426 4.953 4.527 -0.000 0.000 0.330 96 F C 0.470 176.263 175.800 -0.013 0.000 1.082 96 F CA -1.273 56.704 58.000 -0.039 0.000 0.995 96 F CB 0.900 39.864 39.000 -0.060 0.000 1.170 96 F HN 0.135 nan 8.300 nan 0.000 0.478 97 E N 1.821 122.118 120.200 0.161 0.000 2.414 97 E HA 0.011 4.360 4.350 -0.000 0.000 0.263 97 E C -0.556 176.085 176.600 0.067 0.000 1.000 97 E CA -0.316 56.137 56.400 0.088 0.000 0.914 97 E CB 0.510 30.241 29.700 0.052 0.000 0.948 97 E HN 0.612 nan 8.360 nan 0.000 0.444 98 E N 2.363 122.587 120.200 0.039 0.000 2.413 98 E HA 0.113 4.463 4.350 -0.000 0.000 0.263 98 E C 0.149 176.699 176.600 -0.084 0.000 1.015 98 E CA 0.595 56.983 56.400 -0.019 0.000 0.916 98 E CB 0.515 30.204 29.700 -0.018 0.000 0.947 98 E HN 0.712 nan 8.360 nan 0.000 0.440 99 A N 3.716 126.431 122.820 -0.174 0.000 2.640 99 A HA -0.227 4.093 4.320 -0.000 0.000 0.300 99 A C 0.065 177.547 177.584 -0.170 0.000 1.499 99 A CA 0.956 52.841 52.037 -0.254 0.000 0.759 99 A CB -1.577 17.291 19.000 -0.220 0.000 1.048 99 A HN 0.510 nan 8.150 nan 0.000 0.450 100 N N -0.372 118.251 118.700 -0.128 0.000 2.790 100 N HA 0.351 5.091 4.740 -0.000 0.000 0.256 100 N C 0.438 175.913 175.510 -0.059 0.000 1.409 100 N CA -0.163 52.850 53.050 -0.063 0.000 0.799 100 N CB 0.427 38.902 38.487 -0.019 0.000 1.170 100 N HN 0.386 nan 8.380 nan 0.000 0.507 101 L N 3.942 125.144 121.223 -0.034 0.000 2.012 101 L HA 0.137 4.477 4.340 -0.000 0.000 0.210 101 L C -0.986 175.829 176.870 -0.091 0.000 1.073 101 L CA 2.201 57.035 54.840 -0.010 0.000 0.748 101 L CB -0.953 41.193 42.059 0.144 0.000 0.891 101 L HN 0.315 nan 8.230 nan 0.000 0.431 102 P HA -0.121 nan 4.420 nan 0.000 0.216 102 P C 1.620 178.895 177.300 -0.041 0.000 1.150 102 P CA 1.852 64.937 63.100 -0.026 0.000 0.843 102 P CB -0.411 31.334 31.700 0.074 0.000 0.787 103 G N -0.305 108.484 108.800 -0.017 0.000 2.408 103 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 103 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 103 G C 1.506 176.406 174.900 0.000 0.000 1.150 103 G CA 0.415 45.522 45.100 0.012 0.000 0.776 103 G HN 0.278 nan 8.290 nan 0.000 0.542 104 L N -0.020 121.145 121.223 -0.097 0.000 2.056 104 L HA 0.112 4.452 4.340 -0.000 0.000 0.207 104 L C 2.767 179.499 176.870 -0.229 0.000 1.078 104 L CA 0.877 55.557 54.840 -0.265 0.000 0.749 104 L CB -0.161 41.611 42.059 -0.479 0.000 0.901 104 L HN 0.178 nan 8.230 nan 0.000 0.433 105 L N -0.102 120.983 121.223 -0.229 0.000 2.079 105 L HA -0.210 4.129 4.340 -0.000 0.000 0.210 105 L C 2.848 179.654 176.870 -0.107 0.000 1.081 105 L CA 1.069 55.769 54.840 -0.233 0.000 0.752 105 L CB -0.908 40.902 42.059 -0.414 0.000 0.896 105 L HN 0.374 nan 8.230 nan 0.000 0.433 106 A N -0.909 121.876 122.820 -0.060 0.000 1.986 106 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 106 A C 2.522 180.115 177.584 0.015 0.000 1.171 106 A CA 2.319 54.356 52.037 0.001 0.000 0.640 106 A CB -0.491 18.523 19.000 0.024 0.000 0.811 106 A HN 0.381 nan 8.150 nan 0.000 0.451 107 S N -0.953 114.759 115.700 0.019 0.000 2.341 107 S HA 0.102 4.572 4.470 -0.000 0.000 0.216 107 S C 1.640 176.235 174.600 -0.009 0.000 1.034 107 S CA 1.125 59.355 58.200 0.051 0.000 0.964 107 S CB -0.265 63.055 63.200 0.200 0.000 0.882 107 S HN 0.512 nan 8.310 nan 0.000 0.469 108 I N 0.693 121.216 120.570 -0.078 0.000 3.578 108 I HA 0.164 4.334 4.170 -0.000 0.000 0.295 108 I C 0.928 177.060 176.117 0.026 0.000 1.280 108 I CA 0.301 61.564 61.300 -0.061 0.000 1.347 108 I CB 0.246 38.112 38.000 -0.224 0.000 1.051 108 I HN 0.218 nan 8.210 nan 0.000 0.460 109 A N 0.098 122.918 122.820 -0.001 0.000 2.709 109 A HA 0.627 4.946 4.320 -0.000 0.000 0.241 109 A C 0.525 178.236 177.584 0.213 0.000 0.879 109 A CA -0.001 52.119 52.037 0.137 0.000 1.120 109 A CB -0.501 18.613 19.000 0.191 0.000 1.226 109 A HN 0.294 nan 8.150 nan 0.000 0.468 110 G N 0.081 108.912 108.800 0.050 0.000 3.434 110 G HA2 0.267 4.226 3.960 -0.000 0.000 0.197 110 G HA3 0.267 4.226 3.960 -0.000 0.000 0.197 110 G C 0.673 175.625 174.900 0.087 0.000 1.559 110 G CA 0.200 45.355 45.100 0.092 0.000 0.852 110 G HN 0.176 nan 8.290 nan 0.000 0.682 111 N N 1.209 119.931 118.700 0.038 0.000 2.334 111 N HA -0.143 4.596 4.740 -0.000 0.000 0.187 111 N C 2.309 177.806 175.510 -0.022 0.000 1.016 111 N CA 1.334 54.404 53.050 0.032 0.000 0.879 111 N CB -0.481 38.019 38.487 0.021 0.000 0.965 111 N HN 0.613 nan 8.380 nan 0.000 0.438 112 I N -2.907 117.572 120.570 -0.152 0.000 2.423 112 I HA -0.173 3.997 4.170 -0.000 0.000 0.254 112 I C 1.306 177.281 176.117 -0.236 0.000 1.151 112 I CA 1.208 62.339 61.300 -0.282 0.000 1.421 112 I CB -0.663 37.046 38.000 -0.484 0.000 1.079 112 I HN -0.204 nan 8.210 nan 0.000 0.431 113 F N 2.378 122.326 119.950 -0.003 0.000 2.451 113 F HA 0.083 4.610 4.527 -0.000 0.000 0.299 113 F C 2.461 178.347 175.800 0.144 0.000 1.101 113 F CA 1.197 59.241 58.000 0.073 0.000 1.436 113 F CB -0.656 38.362 39.000 0.030 0.000 1.074 113 F HN 0.155 nan 8.300 nan 0.000 0.553 114 G N -0.851 108.071 108.800 0.205 0.000 3.088 114 G HA2 0.159 4.119 3.960 -0.000 0.000 0.217 114 G HA3 0.159 4.119 3.960 -0.000 0.000 0.217 114 G C 0.618 175.550 174.900 0.053 0.000 1.159 114 G CA -0.325 44.855 45.100 0.133 0.000 0.760 114 G HN 0.079 nan 8.290 nan 0.000 0.550 115 M N 0.527 120.134 119.600 0.011 0.000 2.238 115 M HA 0.193 4.672 4.480 -0.000 0.000 0.350 115 M C 1.253 177.522 176.300 -0.051 0.000 1.321 115 M CA 0.115 55.388 55.300 -0.045 0.000 1.097 115 M CB 1.338 33.869 32.600 -0.115 0.000 1.713 115 M HN -0.075 nan 8.290 nan 0.000 0.455 116 K N 1.297 121.658 120.400 -0.065 0.000 2.211 116 K HA -0.113 4.207 4.320 -0.000 0.000 0.203 116 K C 1.830 178.348 176.600 -0.136 0.000 1.050 116 K CA 1.171 57.417 56.287 -0.069 0.000 0.945 116 K CB -0.028 32.441 32.500 -0.052 0.000 0.732 116 K HN 0.482 nan 8.250 nan 0.000 0.451 117 R N 0.476 120.833 120.500 -0.238 0.000 2.328 117 R HA 0.005 4.344 4.340 -0.000 0.000 0.207 117 R C -0.390 175.761 176.300 -0.247 0.000 1.056 117 R CA 0.438 56.269 56.100 -0.448 0.000 1.016 117 R CB 0.296 30.294 30.300 -0.504 0.000 0.872 117 R HN -0.069 nan 8.270 nan 0.000 0.471 118 V N 0.838 120.678 119.914 -0.124 0.000 2.487 118 V HA 0.131 4.251 4.120 -0.000 0.000 0.298 118 V C 0.517 176.621 176.094 0.017 0.000 1.028 118 V CA -0.673 61.605 62.300 -0.037 0.000 0.860 118 V CB 1.823 33.626 31.823 -0.034 0.000 0.991 118 V HN 0.155 nan 8.190 nan 0.000 0.427 119 K N 4.254 124.683 120.400 0.049 0.000 2.167 119 K HA 0.241 4.561 4.320 -0.000 0.000 0.203 119 K C 0.598 177.234 176.600 0.060 0.000 1.052 119 K CA 1.141 57.453 56.287 0.042 0.000 0.956 119 K CB 0.238 32.767 32.500 0.049 0.000 0.735 119 K HN 0.801 nan 8.250 nan 0.000 0.451 120 G N 0.944 109.841 108.800 0.162 0.000 2.766 120 G HA2 0.473 4.433 3.960 -0.000 0.000 0.297 120 G HA3 0.473 4.433 3.960 -0.000 0.000 0.297 120 G C -2.371 172.778 174.900 0.415 0.000 1.431 120 G CA -0.656 44.641 45.100 0.329 0.000 1.042 120 G HN 0.070 nan 8.290 nan 0.000 0.542 121 L N 1.596 123.190 121.223 0.619 0.000 2.404 121 L HA 0.804 5.144 4.340 -0.000 0.000 0.272 121 L C -0.213 176.892 176.870 0.392 0.000 0.980 121 L CA -0.970 54.092 54.840 0.370 0.000 0.836 121 L CB 1.730 43.894 42.059 0.175 0.000 1.238 121 L HN 0.619 nan 8.230 nan 0.000 0.408 122 R N 4.579 125.312 120.500 0.388 0.000 2.360 122 R HA 0.561 4.900 4.340 -0.000 0.000 0.318 122 R C -1.385 175.133 176.300 0.363 0.000 0.950 122 R CA -0.784 55.524 56.100 0.347 0.000 0.837 122 R CB 1.184 31.610 30.300 0.211 0.000 1.165 122 R HN 0.642 nan 8.270 nan 0.000 0.458 123 L N 4.550 126.000 121.223 0.379 0.000 2.530 123 L HA 0.138 4.478 4.340 -0.000 0.000 0.273 123 L C 0.380 177.275 176.870 0.041 0.000 1.141 123 L CA 0.856 55.738 54.840 0.069 0.000 0.905 123 L CB 0.759 42.892 42.059 0.124 0.000 1.202 123 L HN 0.804 nan 8.230 nan 0.000 0.473 124 E N 2.366 122.549 120.200 -0.029 0.000 2.251 124 E HA 0.119 4.468 4.350 -0.000 0.000 0.194 124 E C -0.207 176.452 176.600 0.098 0.000 0.964 124 E CA 0.360 56.780 56.400 0.032 0.000 0.868 124 E CB 0.473 30.194 29.700 0.034 0.000 0.828 124 E HN 0.684 nan 8.360 nan 0.000 0.481 125 D N -0.712 119.710 120.400 0.037 0.000 2.623 125 D HA 0.331 4.971 4.640 -0.000 0.000 0.241 125 D C -1.910 174.394 176.300 0.006 0.000 1.241 125 D CA -0.648 53.436 54.000 0.140 0.000 0.788 125 D CB 1.694 42.614 40.800 0.200 0.000 1.413 125 D HN -0.152 nan 8.370 nan 0.000 0.429 126 L N 3.315 124.538 121.223 -0.001 0.000 2.406 126 L HA 0.432 4.772 4.340 -0.000 0.000 0.270 126 L C -1.664 175.174 176.870 -0.054 0.000 0.982 126 L CA -0.721 54.071 54.840 -0.080 0.000 0.843 126 L CB 1.167 43.068 42.059 -0.264 0.000 1.225 126 L HN 0.426 nan 8.230 nan 0.000 0.412 127 Y N 5.206 125.529 120.300 0.038 0.000 2.327 127 Y HA 0.625 5.175 4.550 -0.000 0.000 0.336 127 Y C -1.314 174.786 175.900 0.333 0.000 1.035 127 Y CA -0.365 57.794 58.100 0.098 0.000 1.165 127 Y CB 0.742 39.285 38.460 0.139 0.000 1.181 127 Y HN 0.419 nan 8.280 nan 0.000 0.494 128 F N 7.967 127.391 119.950 -0.876 0.000 2.444 128 F HA 0.452 4.979 4.527 -0.000 0.000 0.342 128 F C -2.163 173.085 175.800 -0.920 0.000 1.121 128 F CA -3.508 54.090 58.000 -0.670 0.000 0.997 128 F CB 1.291 40.056 39.000 -0.393 0.000 1.130 128 F HN 0.446 nan 8.300 nan 0.000 0.454 129 P HA 0.017 nan 4.420 nan 0.000 0.270 129 P C 0.810 178.020 177.300 -0.149 0.000 1.223 129 P CA -0.011 62.987 63.100 -0.169 0.000 0.785 129 P CB 0.986 32.685 31.700 -0.001 0.000 0.923 130 E N 1.601 121.748 120.200 -0.088 0.000 2.130 130 E HA -0.272 4.078 4.350 -0.000 0.000 0.196 130 E C 1.762 178.191 176.600 -0.286 0.000 0.998 130 E CA 1.510 57.769 56.400 -0.234 0.000 0.806 130 E CB -0.113 29.296 29.700 -0.484 0.000 0.738 130 E HN 0.345 nan 8.360 nan 0.000 0.459 131 K N -0.142 120.080 120.400 -0.297 0.000 2.103 131 K HA -0.183 4.137 4.320 -0.000 0.000 0.207 131 K C 2.036 178.460 176.600 -0.293 0.000 1.048 131 K CA 1.210 57.285 56.287 -0.354 0.000 0.930 131 K CB 0.013 32.166 32.500 -0.579 0.000 0.716 131 K HN 0.110 nan 8.250 nan 0.000 0.444 132 L N 0.758 121.821 121.223 -0.266 0.000 2.127 132 L HA -0.082 4.258 4.340 -0.000 0.000 0.203 132 L C 2.027 178.928 176.870 0.052 0.000 1.080 132 L CA 0.798 55.509 54.840 -0.214 0.000 0.768 132 L CB -0.337 41.442 42.059 -0.467 0.000 0.924 132 L HN 0.180 nan 8.230 nan 0.000 0.444 133 I N -0.060 120.555 120.570 0.076 0.000 2.185 133 I HA -0.329 3.841 4.170 -0.000 0.000 0.246 133 I C 2.259 178.489 176.117 0.189 0.000 1.088 133 I CA 1.565 62.978 61.300 0.187 0.000 1.347 133 I CB -1.052 37.008 38.000 0.101 0.000 1.041 133 I HN 0.334 nan 8.210 nan 0.000 0.415 134 R N 0.451 120.957 120.500 0.010 0.000 2.323 134 R HA -0.035 4.305 4.340 -0.000 0.000 0.198 134 R C 1.421 177.694 176.300 -0.046 0.000 0.988 134 R CA 0.170 56.254 56.100 -0.027 0.000 1.041 134 R CB -0.056 30.171 30.300 -0.122 0.000 0.926 134 R HN 0.498 nan 8.270 nan 0.000 0.476 135 E N -0.354 119.798 120.200 -0.079 0.000 2.489 135 E HA 0.030 4.380 4.350 -0.000 0.000 0.193 135 E C -0.548 175.829 176.600 -0.372 0.000 1.057 135 E CA 0.254 56.507 56.400 -0.246 0.000 0.866 135 E CB 0.303 29.784 29.700 -0.365 0.000 0.916 135 E HN 0.091 nan 8.360 nan 0.000 0.500 136 F N -0.220 119.731 119.950 0.003 0.000 2.538 136 F HA 0.241 4.768 4.527 -0.000 0.000 0.325 136 F C 1.159 176.976 175.800 0.029 0.000 1.066 136 F CA -0.920 57.100 58.000 0.034 0.000 0.946 136 F CB 1.422 40.464 39.000 0.071 0.000 1.199 136 F HN -0.227 nan 8.300 nan 0.000 0.473 137 D N 0.651 121.186 120.400 0.224 0.000 2.355 137 D HA 0.219 4.859 4.640 -0.000 0.000 0.206 137 D C 1.190 177.562 176.300 0.121 0.000 1.010 137 D CA 1.150 55.225 54.000 0.126 0.000 0.875 137 D CB 0.415 41.259 40.800 0.073 0.000 0.966 137 D HN 0.745 nan 8.370 nan 0.000 0.512 138 G N 1.610 110.502 108.800 0.152 0.000 2.750 138 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.228 138 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.228 138 G C -2.649 172.285 174.900 0.058 0.000 1.367 138 G CA -0.995 44.159 45.100 0.091 0.000 0.871 138 G HN -0.020 nan 8.290 nan 0.000 0.560 139 P HA 0.395 nan 4.420 nan 0.000 0.263 139 P C 0.824 178.140 177.300 0.027 0.000 1.195 139 P CA 0.880 64.001 63.100 0.036 0.000 0.762 139 P CB 0.888 32.597 31.700 0.016 0.000 0.799 140 A N 2.720 125.565 122.820 0.041 0.000 1.969 140 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 140 A C 1.408 178.882 177.584 -0.184 0.000 1.169 140 A CA 1.510 53.509 52.037 -0.063 0.000 0.635 140 A CB -1.129 17.837 19.000 -0.056 0.000 0.810 140 A HN 0.488 nan 8.150 nan 0.000 0.445 141 F N -1.183 118.748 119.950 -0.031 0.000 2.399 141 F HA 0.402 4.928 4.527 -0.001 0.000 0.282 141 F C 1.812 177.592 175.800 -0.033 0.000 1.027 141 F CA 0.711 58.693 58.000 -0.029 0.000 1.333 141 F CB -0.567 38.412 39.000 -0.035 0.000 1.132 141 F HN 0.454 nan 8.300 nan 0.000 0.590 142 G N 1.196 110.092 108.800 0.160 0.000 2.740 142 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.250 142 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.250 142 G C 0.801 175.692 174.900 -0.015 0.000 1.358 142 G CA 0.015 45.130 45.100 0.026 0.000 0.897 142 G HN 0.266 nan 8.290 nan 0.000 0.567 143 I N 0.519 120.953 120.570 -0.226 0.000 2.099 143 I HA -0.125 4.044 4.170 -0.000 0.000 0.239 143 I C 3.380 179.390 176.117 -0.178 0.000 1.066 143 I CA 2.978 63.978 61.300 -0.499 0.000 1.324 143 I CB -0.954 36.589 38.000 -0.762 0.000 1.037 143 I HN 0.944 nan 8.210 nan 0.000 0.401 144 E N 1.074 121.208 120.200 -0.110 0.000 2.070 144 E HA -0.227 4.122 4.350 -0.000 0.000 0.197 144 E C 2.287 178.924 176.600 0.061 0.000 1.004 144 E CA 1.708 58.094 56.400 -0.023 0.000 0.805 144 E CB -1.740 27.943 29.700 -0.028 0.000 0.744 144 E HN 0.674 nan 8.360 nan 0.000 0.451 145 G N -0.290 108.573 108.800 0.104 0.000 2.422 145 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.218 145 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.218 145 G C 1.899 176.997 174.900 0.329 0.000 1.140 145 G CA 1.218 46.462 45.100 0.240 0.000 0.775 145 G HN 0.475 nan 8.290 nan 0.000 0.545 146 V N 0.205 120.282 119.914 0.272 0.000 2.446 146 V HA -0.010 4.110 4.120 -0.000 0.000 0.244 146 V C 2.802 179.061 176.094 0.276 0.000 1.039 146 V CA 1.199 63.664 62.300 0.276 0.000 1.045 146 V CB -0.359 31.706 31.823 0.404 0.000 0.681 146 V HN 0.255 nan 8.190 nan 0.000 0.459 147 R N 0.688 121.354 120.500 0.278 0.000 2.105 147 R HA -0.189 4.151 4.340 -0.000 0.000 0.239 147 R C 2.557 178.950 176.300 0.156 0.000 1.135 147 R CA 1.975 58.208 56.100 0.223 0.000 0.967 147 R CB -0.416 29.986 30.300 0.170 0.000 0.861 147 R HN 0.602 nan 8.270 nan 0.000 0.442 148 K N 1.464 121.950 120.400 0.144 0.000 2.062 148 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 148 K C 1.902 178.579 176.600 0.127 0.000 1.051 148 K CA 1.580 57.939 56.287 0.119 0.000 0.941 148 K CB -0.812 31.753 32.500 0.108 0.000 0.719 148 K HN 0.442 nan 8.250 nan 0.000 0.440 149 M N -0.509 119.184 119.600 0.156 0.000 2.175 149 M HA 0.090 4.570 4.480 -0.000 0.000 0.264 149 M C 1.860 178.231 176.300 0.118 0.000 1.063 149 M CA 1.733 57.114 55.300 0.135 0.000 1.119 149 M CB -0.164 32.505 32.600 0.114 0.000 1.377 149 M HN 0.154 nan 8.290 nan 0.000 0.415 150 L N 0.493 121.796 121.223 0.133 0.000 2.567 150 L HA 0.172 4.512 4.340 -0.000 0.000 0.225 150 L C 0.123 177.051 176.870 0.096 0.000 1.119 150 L CA 0.099 55.010 54.840 0.118 0.000 0.871 150 L CB -0.467 41.673 42.059 0.135 0.000 1.036 150 L HN 0.441 nan 8.230 nan 0.000 0.459 151 E N 1.105 121.362 120.200 0.095 0.000 2.228 151 E HA -0.222 4.128 4.350 -0.000 0.000 0.213 151 E C -0.429 176.216 176.600 0.075 0.000 1.282 151 E CA 0.317 56.764 56.400 0.078 0.000 0.707 151 E CB -1.282 28.456 29.700 0.062 0.000 1.150 151 E HN 0.460 nan 8.360 nan 0.000 0.362 152 I N -0.668 119.957 120.570 0.093 0.000 2.411 152 I HA 0.227 4.397 4.170 -0.000 0.000 0.284 152 I C 1.154 177.330 176.117 0.099 0.000 1.012 152 I CA -0.188 61.166 61.300 0.089 0.000 1.119 152 I CB 1.334 39.392 38.000 0.098 0.000 1.261 152 I HN 0.154 nan 8.210 nan 0.000 0.448 153 K N 3.631 124.076 120.400 0.075 0.000 2.067 153 K HA 0.026 4.345 4.320 -0.000 0.000 0.203 153 K C 1.052 177.694 176.600 0.070 0.000 1.048 153 K CA 1.379 57.706 56.287 0.067 0.000 0.954 153 K CB -0.109 32.419 32.500 0.047 0.000 0.737 153 K HN 0.708 nan 8.250 nan 0.000 0.444 154 D N -1.278 119.160 120.400 0.064 0.000 2.403 154 D HA 0.056 4.696 4.640 -0.000 0.000 0.280 154 D C 0.410 176.748 176.300 0.064 0.000 1.091 154 D CA -0.180 53.854 54.000 0.057 0.000 0.884 154 D CB 0.475 41.296 40.800 0.034 0.000 1.427 154 D HN 0.491 nan 8.370 nan 0.000 0.504 155 R N 2.113 122.647 120.500 0.057 0.000 2.679 155 R HA 0.381 4.721 4.340 -0.000 0.000 0.269 155 R C -2.693 173.652 176.300 0.076 0.000 1.076 155 R CA -1.195 54.933 56.100 0.046 0.000 1.160 155 R CB -0.723 29.592 30.300 0.025 0.000 1.054 155 R HN -0.265 nan 8.270 nan 0.000 0.507 156 P HA -0.013 nan 4.420 nan 0.000 0.268 156 P C -0.292 177.035 177.300 0.044 0.000 1.208 156 P CA -0.085 63.050 63.100 0.058 0.000 0.777 156 P CB 0.350 32.069 31.700 0.033 0.000 0.875 157 I N 1.981 122.537 120.570 -0.024 0.000 2.638 157 I HA 0.141 4.311 4.170 -0.000 0.000 0.286 157 I C 0.069 176.269 176.117 0.138 0.000 1.088 157 I CA -0.232 61.077 61.300 0.015 0.000 1.397 157 I CB -0.550 37.370 38.000 -0.132 0.000 1.414 157 I HN 0.412 nan 8.210 nan 0.000 0.566 158 Y N 3.876 124.182 120.300 0.009 0.000 2.406 158 Y HA 0.743 5.293 4.550 -0.001 0.000 0.340 158 Y C -0.337 175.303 175.900 -0.434 0.000 0.975 158 Y CA -0.804 57.233 58.100 -0.105 0.000 1.056 158 Y CB 1.739 40.124 38.460 -0.126 0.000 1.210 158 Y HN 0.711 nan 8.280 nan 0.000 0.448 159 G N 2.948 110.889 108.800 -1.431 0.000 2.682 159 G HA2 0.620 4.579 3.960 -0.000 0.000 0.290 159 G HA3 0.620 4.579 3.960 -0.000 0.000 0.290 159 G C -2.398 171.649 174.900 -1.423 0.000 1.425 159 G CA -0.935 42.592 45.100 -2.621 0.000 0.807 159 G HN 0.635 nan 8.290 nan 0.000 0.482 160 V N 0.023 119.312 119.914 -1.040 0.000 2.638 160 V HA 0.507 4.627 4.120 -0.000 0.000 0.306 160 V C -0.342 175.642 176.094 -0.183 0.000 1.052 160 V CA -0.723 61.312 62.300 -0.441 0.000 0.885 160 V CB 1.804 33.411 31.823 -0.361 0.000 0.999 160 V HN 0.629 nan 8.190 nan 0.000 0.424 161 V N 6.466 126.358 119.914 -0.037 0.000 2.383 161 V HA 0.342 4.461 4.120 -0.000 0.000 0.275 161 V C -2.294 173.829 176.094 0.050 0.000 1.036 161 V CA -2.001 60.337 62.300 0.063 0.000 0.889 161 V CB 1.552 33.444 31.823 0.114 0.000 0.985 161 V HN 0.730 nan 8.190 nan 0.000 0.459 162 P HA 0.172 nan 4.420 nan 0.000 0.267 162 P C -0.650 176.670 177.300 0.033 0.000 1.205 162 P CA -0.043 63.049 63.100 -0.013 0.000 0.765 162 P CB 0.392 32.000 31.700 -0.154 0.000 0.828 163 K N 4.239 124.646 120.400 0.012 0.000 2.221 163 K HA 0.462 4.781 4.320 -0.000 0.000 0.258 163 K C -2.186 174.434 176.600 0.033 0.000 0.944 163 K CA -2.158 54.161 56.287 0.053 0.000 0.823 163 K CB 0.517 33.050 32.500 0.056 0.000 1.113 163 K HN 0.340 nan 8.250 nan 0.000 0.431 164 P HA 0.175 nan 4.420 nan 0.000 0.272 164 P C 0.225 177.647 177.300 0.204 0.000 1.223 164 P CA -0.281 62.890 63.100 0.119 0.000 0.784 164 P CB 0.990 32.752 31.700 0.104 0.000 0.923 165 K N 0.338 120.824 120.400 0.144 0.000 2.015 165 K HA -0.103 4.217 4.320 -0.000 0.000 0.216 165 K C 1.142 177.829 176.600 0.146 0.000 1.052 165 K CA 1.807 58.178 56.287 0.141 0.000 0.937 165 K CB -0.616 31.925 32.500 0.069 0.000 0.719 165 K HN 0.516 nan 8.250 nan 0.000 0.446 166 V N -5.409 114.536 119.914 0.053 0.000 3.155 166 V HA 0.796 4.915 4.120 -0.000 0.000 0.313 166 V C 0.624 176.628 176.094 -0.150 0.000 1.162 166 V CA -0.370 61.882 62.300 -0.080 0.000 1.048 166 V CB 1.385 33.199 31.823 -0.016 0.000 1.092 166 V HN 0.509 nan 8.190 nan 0.000 0.447 167 G N 0.021 108.574 108.800 -0.412 0.000 2.184 167 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.206 167 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.206 167 G C -0.334 174.383 174.900 -0.306 0.000 0.995 167 G CA 0.244 45.020 45.100 -0.540 0.000 0.651 167 G HN 2.144 nan 8.290 nan 0.000 0.511 168 Y N 1.347 121.570 120.300 -0.127 0.000 2.487 168 Y HA 0.840 5.390 4.550 -0.000 0.000 0.337 168 Y C 0.417 176.325 175.900 0.014 0.000 1.076 168 Y CA -1.137 56.936 58.100 -0.045 0.000 1.115 168 Y CB 1.147 39.609 38.460 0.005 0.000 1.235 168 Y HN 0.511 nan 8.280 nan 0.000 0.468 169 S N 0.644 116.466 115.700 0.203 0.000 2.693 169 S HA 0.475 4.945 4.470 -0.000 0.000 0.276 169 S C -2.222 172.506 174.600 0.213 0.000 1.192 169 S CA -1.392 56.879 58.200 0.118 0.000 0.994 169 S CB 1.674 64.927 63.200 0.088 0.000 1.012 169 S HN 0.560 nan 8.310 nan 0.000 0.550 170 P HA -0.026 nan 4.420 nan 0.000 0.216 170 P C 0.910 178.318 177.300 0.180 0.000 1.153 170 P CA 1.194 64.384 63.100 0.150 0.000 0.848 170 P CB -0.029 31.694 31.700 0.038 0.000 0.787 171 E N -0.104 120.159 120.200 0.106 0.000 2.106 171 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 171 E C 1.912 178.551 176.600 0.065 0.000 0.984 171 E CA 1.141 57.578 56.400 0.061 0.000 0.806 171 E CB -0.711 29.012 29.700 0.039 0.000 0.750 171 E HN 0.414 nan 8.360 nan 0.000 0.458 172 E N -0.153 120.113 120.200 0.111 0.000 2.106 172 E HA -0.156 4.193 4.350 -0.000 0.000 0.192 172 E C 1.700 178.352 176.600 0.087 0.000 0.984 172 E CA 0.699 57.153 56.400 0.089 0.000 0.806 172 E CB -0.192 29.580 29.700 0.120 0.000 0.750 172 E HN 0.196 nan 8.360 nan 0.000 0.458 173 F N 2.405 122.355 119.950 -0.001 0.000 2.134 173 F HA -0.200 4.327 4.527 -0.000 0.000 0.299 173 F C 2.225 177.964 175.800 -0.102 0.000 1.097 173 F CA 1.823 59.779 58.000 -0.073 0.000 1.264 173 F CB -0.198 38.837 39.000 0.058 0.000 1.001 173 F HN -0.044 nan 8.300 nan 0.000 0.479 174 E N 0.294 120.398 120.200 -0.160 0.000 2.086 174 E HA -0.364 3.986 4.350 -0.000 0.000 0.200 174 E C 2.225 178.675 176.600 -0.249 0.000 1.012 174 E CA 1.975 58.215 56.400 -0.268 0.000 0.812 174 E CB -0.261 29.357 29.700 -0.136 0.000 0.743 174 E HN 0.388 nan 8.360 nan 0.000 0.453 175 K N 0.035 120.340 120.400 -0.159 0.000 2.076 175 K HA -0.094 4.226 4.320 -0.000 0.000 0.204 175 K C 2.142 178.680 176.600 -0.103 0.000 1.051 175 K CA 0.913 57.145 56.287 -0.093 0.000 0.949 175 K CB -0.308 32.154 32.500 -0.064 0.000 0.726 175 K HN 0.207 nan 8.250 nan 0.000 0.443 176 L N 0.525 121.642 121.223 -0.178 0.000 2.046 176 L HA -0.045 4.294 4.340 -0.000 0.000 0.208 176 L C 2.084 178.786 176.870 -0.281 0.000 1.077 176 L CA 2.099 56.819 54.840 -0.199 0.000 0.747 176 L CB -0.775 41.162 42.059 -0.203 0.000 0.896 176 L HN 0.235 nan 8.230 nan 0.000 0.432 177 A N -1.250 121.287 122.820 -0.472 0.000 1.858 177 A HA -0.278 4.042 4.320 -0.000 0.000 0.216 177 A C 2.284 179.691 177.584 -0.295 0.000 1.190 177 A CA 1.784 53.511 52.037 -0.516 0.000 0.617 177 A CB -1.300 17.177 19.000 -0.871 0.000 0.827 177 A HN 0.623 nan 8.150 nan 0.000 0.443 178 Y N 1.427 121.536 120.300 -0.318 0.000 2.053 178 Y HA -0.297 4.252 4.550 -0.001 0.000 0.277 178 Y C 2.012 177.808 175.900 -0.174 0.000 1.159 178 Y CA 2.337 60.306 58.100 -0.217 0.000 1.125 178 Y CB -0.375 37.976 38.460 -0.181 0.000 0.969 178 Y HN 0.379 nan 8.280 nan 0.000 0.492 179 D N 0.151 120.438 120.400 -0.188 0.000 2.123 179 D HA -0.206 4.434 4.640 -0.000 0.000 0.196 179 D C 2.400 178.550 176.300 -0.249 0.000 0.992 179 D CA 1.729 55.593 54.000 -0.227 0.000 0.833 179 D CB -0.521 40.222 40.800 -0.095 0.000 0.954 179 D HN 0.419 nan 8.370 nan 0.000 0.455 180 L N 0.212 121.298 121.223 -0.227 0.000 2.005 180 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 180 L C 2.616 179.342 176.870 -0.239 0.000 1.072 180 L CA 0.733 55.446 54.840 -0.212 0.000 0.744 180 L CB -0.360 41.562 42.059 -0.227 0.000 0.895 180 L HN 0.026 nan 8.230 nan 0.000 0.433 181 L N -1.130 119.926 121.223 -0.279 0.000 2.083 181 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 181 L C 2.577 179.295 176.870 -0.252 0.000 1.083 181 L CA 0.953 55.640 54.840 -0.255 0.000 0.752 181 L CB -0.508 41.410 42.059 -0.234 0.000 0.899 181 L HN 0.183 nan 8.230 nan 0.000 0.433 182 S N -0.458 115.024 115.700 -0.363 0.000 2.447 182 S HA -0.058 4.411 4.470 -0.000 0.000 0.233 182 S C 1.357 175.822 174.600 -0.224 0.000 1.006 182 S CA 0.772 58.752 58.200 -0.367 0.000 0.957 182 S CB -0.192 62.629 63.200 -0.632 0.000 0.773 182 S HN 0.457 nan 8.310 nan 0.000 0.507 183 N N -0.065 118.524 118.700 -0.186 0.000 2.238 183 N HA 0.220 4.960 4.740 -0.000 0.000 0.222 183 N C 0.891 176.367 175.510 -0.056 0.000 1.133 183 N CA 0.579 53.561 53.050 -0.114 0.000 0.854 183 N CB 1.293 39.714 38.487 -0.110 0.000 1.041 183 N HN 0.491 nan 8.380 nan 0.000 0.510 184 G N 0.286 109.056 108.800 -0.051 0.000 2.367 184 G HA2 -0.169 3.790 3.960 -0.000 0.000 0.181 184 G HA3 -0.169 3.790 3.960 -0.000 0.000 0.181 184 G C 0.168 175.113 174.900 0.076 0.000 1.000 184 G CA -0.075 45.038 45.100 0.021 0.000 0.693 184 G HN 0.421 nan 8.290 nan 0.000 0.480 185 A N 0.762 123.546 122.820 -0.060 0.000 2.440 185 A HA 0.537 4.857 4.320 -0.000 0.000 0.251 185 A C 1.089 178.487 177.584 -0.310 0.000 1.089 185 A CA 0.802 52.609 52.037 -0.383 0.000 0.779 185 A CB 0.297 18.951 19.000 -0.577 0.000 1.022 185 A HN 0.171 nan 8.150 nan 0.000 0.492 186 D N -0.085 120.110 120.400 -0.341 0.000 2.249 186 D HA 0.092 4.732 4.640 -0.000 0.000 0.205 186 D C -0.115 176.103 176.300 -0.136 0.000 0.962 186 D CA 1.772 55.687 54.000 -0.142 0.000 0.860 186 D CB 0.042 40.847 40.800 0.008 0.000 0.955 186 D HN 0.721 nan 8.370 nan 0.000 0.505 187 Y N -1.964 118.085 120.300 -0.419 0.000 2.592 187 Y HA 0.496 5.046 4.550 -0.000 0.000 0.334 187 Y C -0.768 174.848 175.900 -0.474 0.000 1.136 187 Y CA -1.447 56.361 58.100 -0.487 0.000 1.042 187 Y CB 0.666 38.603 38.460 -0.871 0.000 1.325 187 Y HN -0.400 nan 8.280 nan 0.000 0.457 191 D N 1.123 121.572 120.400 0.080 0.000 2.423 191 D HA -0.039 4.601 4.640 -0.000 0.000 0.238 191 D C 1.358 177.599 176.300 -0.097 0.000 1.142 191 D CA 0.120 54.129 54.000 0.016 0.000 0.884 191 D CB 1.089 41.912 40.800 0.039 0.000 1.199 191 D HN 0.402 nan 8.370 nan 0.000 0.438 192 E N 2.547 122.582 120.200 -0.273 0.000 2.401 192 E HA -0.223 4.127 4.350 -0.000 0.000 0.199 192 E C 0.692 177.159 176.600 -0.222 0.000 1.023 192 E CA 1.038 57.175 56.400 -0.438 0.000 0.859 192 E CB -0.626 28.431 29.700 -1.071 0.000 0.780 192 E HN 0.692 nan 8.360 nan 0.000 0.523 193 N N 0.079 118.700 118.700 -0.132 0.000 2.205 193 N HA 0.076 4.816 4.740 -0.000 0.000 0.201 193 N C 0.155 175.627 175.510 -0.063 0.000 1.128 193 N CA -0.503 52.498 53.050 -0.081 0.000 0.867 193 N CB 0.135 38.593 38.487 -0.048 0.000 0.996 193 N HN -0.044 nan 8.380 nan 0.000 0.503 194 L N 2.458 123.641 121.223 -0.066 0.000 2.283 194 L HA 0.318 4.658 4.340 -0.000 0.000 0.287 194 L C 0.627 177.462 176.870 -0.059 0.000 1.073 194 L CA 0.148 54.942 54.840 -0.077 0.000 0.822 194 L CB 0.649 42.661 42.059 -0.078 0.000 1.186 194 L HN 0.286 nan 8.230 nan 0.000 0.436 195 T N -0.087 114.418 114.554 -0.081 0.000 2.090 195 T HA 0.275 4.625 4.350 -0.000 0.000 0.179 195 T C 0.452 175.136 174.700 -0.026 0.000 0.687 195 T CA 0.205 62.281 62.100 -0.041 0.000 1.523 195 T CB 0.153 68.982 68.868 -0.064 0.000 3.135 195 T HN 0.330 nan 8.240 nan 0.000 0.403 196 S N 3.026 118.684 115.700 -0.069 0.000 2.327 196 S HA 0.450 4.920 4.470 -0.000 0.000 0.203 196 S C -2.706 171.797 174.600 -0.162 0.000 1.326 196 S CA -1.263 56.900 58.200 -0.063 0.000 1.248 196 S CB -0.148 63.071 63.200 0.032 0.000 1.199 196 S HN 0.510 nan 8.310 nan 0.000 0.422 197 P HA 0.192 nan 4.420 nan 0.000 0.276 197 P C 1.605 178.591 177.300 -0.523 0.000 1.252 197 P CA -0.714 62.103 63.100 -0.471 0.000 0.802 197 P CB 0.293 31.463 31.700 -0.884 0.000 1.035 198 W N 2.183 123.331 121.300 -0.253 0.000 2.308 198 W HA -0.259 4.400 4.660 -0.000 0.000 0.301 198 W C 1.309 177.764 176.519 -0.106 0.000 1.220 198 W CA 1.474 58.751 57.345 -0.113 0.000 1.240 198 W CB -2.038 27.421 29.460 -0.001 0.000 1.142 198 W HN 0.420 nan 8.180 nan 0.000 0.521 199 Y N -0.001 119.663 120.300 -1.060 0.000 2.511 199 Y HA 0.354 4.903 4.550 -0.000 0.000 0.279 199 Y C 0.710 176.317 175.900 -0.489 0.000 1.157 199 Y CA 0.507 58.009 58.100 -0.997 0.000 1.300 199 Y CB -0.976 36.521 38.460 -1.604 0.000 1.052 199 Y HN -0.107 nan 8.280 nan 0.000 0.529 200 N N 1.360 119.640 118.700 -0.700 0.000 2.732 200 N HA 0.097 4.837 4.740 -0.000 0.000 0.235 200 N C -1.319 174.005 175.510 -0.310 0.000 1.466 200 N CA -0.225 52.578 53.050 -0.411 0.000 0.751 200 N CB 0.520 38.740 38.487 -0.445 0.000 1.317 200 N HN 0.068 nan 8.380 nan 0.000 0.525 201 R N 1.080 121.476 120.500 -0.173 0.000 2.585 201 R HA 0.012 4.352 4.340 -0.000 0.000 0.275 201 R C 1.330 177.640 176.300 0.016 0.000 1.018 201 R CA -0.204 55.863 56.100 -0.056 0.000 1.072 201 R CB 0.063 30.363 30.300 -0.000 0.000 0.953 201 R HN 0.415 nan 8.270 nan 0.000 0.419 202 F N 3.645 123.571 119.950 -0.040 0.000 2.065 202 F HA -0.291 4.236 4.527 -0.000 0.000 0.298 202 F C 2.324 178.177 175.800 0.089 0.000 1.112 202 F CA 2.270 60.295 58.000 0.041 0.000 1.212 202 F CB 0.106 39.124 39.000 0.030 0.000 0.975 202 F HN 0.638 nan 8.300 nan 0.000 0.476 203 E N 0.373 120.719 120.200 0.243 0.000 2.153 203 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 203 E C 1.810 178.415 176.600 0.008 0.000 0.988 203 E CA 1.778 58.264 56.400 0.142 0.000 0.811 203 E CB -0.901 28.892 29.700 0.155 0.000 0.746 203 E HN 0.625 nan 8.360 nan 0.000 0.466 204 E N 0.908 121.103 120.200 -0.008 0.000 2.072 204 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 204 E C 2.378 178.924 176.600 -0.089 0.000 0.985 204 E CA 1.549 57.928 56.400 -0.035 0.000 0.801 204 E CB -0.153 29.536 29.700 -0.018 0.000 0.750 204 E HN 0.416 nan 8.360 nan 0.000 0.452 205 R N 0.557 120.970 120.500 -0.146 0.000 2.193 205 R HA 0.156 4.496 4.340 -0.000 0.000 0.213 205 R C 2.133 178.161 176.300 -0.454 0.000 1.055 205 R CA 0.926 56.889 56.100 -0.228 0.000 0.995 205 R CB -0.125 30.022 30.300 -0.255 0.000 0.893 205 R HN 0.041 nan 8.270 nan 0.000 0.459 206 A N 2.160 124.768 122.820 -0.353 0.000 1.858 206 A HA -0.144 4.175 4.320 -0.000 0.000 0.216 206 A C 1.975 179.464 177.584 -0.158 0.000 1.190 206 A CA 1.385 53.280 52.037 -0.236 0.000 0.617 206 A CB -0.367 18.607 19.000 -0.042 0.000 0.827 206 A HN 0.375 nan 8.150 nan 0.000 0.443 207 E N -0.137 120.005 120.200 -0.098 0.000 2.070 207 E HA -0.215 4.135 4.350 -0.000 0.000 0.197 207 E C 2.021 178.560 176.600 -0.101 0.000 1.004 207 E CA 1.442 57.804 56.400 -0.064 0.000 0.805 207 E CB -0.447 29.229 29.700 -0.039 0.000 0.744 207 E HN 0.716 nan 8.360 nan 0.000 0.451 208 I N 0.762 121.249 120.570 -0.137 0.000 2.163 208 I HA -0.294 3.876 4.170 -0.000 0.000 0.243 208 I C 2.510 178.504 176.117 -0.204 0.000 1.085 208 I CA 0.998 62.210 61.300 -0.148 0.000 1.347 208 I CB -0.183 37.746 38.000 -0.120 0.000 1.044 208 I HN 0.116 nan 8.210 nan 0.000 0.408 209 M N -0.004 119.400 119.600 -0.327 0.000 2.296 209 M HA -0.110 4.370 4.480 -0.000 0.000 0.265 209 M C 2.501 178.710 176.300 -0.152 0.000 1.064 209 M CA 1.559 56.643 55.300 -0.360 0.000 1.109 209 M CB -1.361 30.786 32.600 -0.755 0.000 1.396 209 M HN 0.298 nan 8.290 nan 0.000 0.430 210 A N 0.473 123.238 122.820 -0.092 0.000 1.902 210 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 210 A C 2.306 179.873 177.584 -0.028 0.000 1.181 210 A CA 1.530 53.557 52.037 -0.016 0.000 0.623 210 A CB -0.428 18.575 19.000 0.004 0.000 0.818 210 A HN 0.449 nan 8.150 nan 0.000 0.443 211 K N -0.463 119.905 120.400 -0.053 0.000 2.025 211 K HA -0.009 4.310 4.320 -0.000 0.000 0.207 211 K C 1.877 178.451 176.600 -0.044 0.000 1.049 211 K CA 1.435 57.694 56.287 -0.047 0.000 0.933 211 K CB -0.354 32.109 32.500 -0.062 0.000 0.714 211 K HN 0.493 nan 8.250 nan 0.000 0.438 212 I N 1.142 121.671 120.570 -0.069 0.000 2.226 212 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 212 I C 2.326 178.435 176.117 -0.013 0.000 1.100 212 I CA 1.197 62.475 61.300 -0.037 0.000 1.374 212 I CB -0.241 37.702 38.000 -0.095 0.000 1.057 212 I HN 0.150 nan 8.210 nan 0.000 0.413 213 I N 0.618 121.168 120.570 -0.032 0.000 2.142 213 I HA -0.318 3.852 4.170 -0.000 0.000 0.240 213 I C 2.139 178.262 176.117 0.010 0.000 1.078 213 I CA 1.465 62.761 61.300 -0.007 0.000 1.343 213 I CB -0.486 37.528 38.000 0.023 0.000 1.046 213 I HN 0.203 nan 8.210 nan 0.000 0.405 214 D N 0.933 121.340 120.400 0.012 0.000 2.106 214 D HA -0.243 4.397 4.640 -0.000 0.000 0.191 214 D C 2.074 178.386 176.300 0.019 0.000 0.997 214 D CA 1.373 55.382 54.000 0.016 0.000 0.834 214 D CB -0.257 40.549 40.800 0.011 0.000 0.956 214 D HN 0.215 nan 8.370 nan 0.000 0.448 215 K N 0.515 120.930 120.400 0.024 0.000 2.009 215 K HA -0.139 4.181 4.320 -0.000 0.000 0.210 215 K C 2.044 178.687 176.600 0.071 0.000 1.049 215 K CA 1.155 57.471 56.287 0.048 0.000 0.929 215 K CB -0.236 32.299 32.500 0.058 0.000 0.714 215 K HN -0.040 nan 8.250 nan 0.000 0.440 216 V N 1.857 121.811 119.914 0.066 0.000 2.407 216 V HA -0.230 3.889 4.120 -0.000 0.000 0.248 216 V C 2.085 178.173 176.094 -0.009 0.000 1.055 216 V CA 1.941 64.244 62.300 0.005 0.000 1.049 216 V CB -0.449 31.330 31.823 -0.072 0.000 0.662 216 V HN 0.408 nan 8.190 nan 0.000 0.455 217 E N 0.071 120.272 120.200 0.003 0.000 2.072 217 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 217 E C 2.115 178.721 176.600 0.010 0.000 0.985 217 E CA 1.250 57.654 56.400 0.006 0.000 0.801 217 E CB -0.245 29.465 29.700 0.016 0.000 0.750 217 E HN 0.593 nan 8.360 nan 0.000 0.452 218 N N 1.177 119.887 118.700 0.016 0.000 2.104 218 N HA -0.171 4.569 4.740 -0.000 0.000 0.190 218 N C 1.560 177.079 175.510 0.015 0.000 1.024 218 N CA 1.174 54.234 53.050 0.016 0.000 0.853 218 N CB -0.151 38.347 38.487 0.018 0.000 1.008 218 N HN 0.325 nan 8.380 nan 0.000 0.424 219 E N -0.682 119.529 120.200 0.018 0.000 2.216 219 E HA -0.038 4.311 4.350 -0.000 0.000 0.192 219 E C 1.498 178.096 176.600 -0.003 0.000 0.988 219 E CA 1.291 57.700 56.400 0.015 0.000 0.834 219 E CB 0.098 29.819 29.700 0.036 0.000 0.772 219 E HN 0.525 nan 8.360 nan 0.000 0.479 220 T N -4.093 110.453 114.554 -0.013 0.000 2.971 220 T HA 0.275 4.624 4.350 -0.000 0.000 0.252 220 T C 1.652 176.346 174.700 -0.009 0.000 1.022 220 T CA 0.405 62.492 62.100 -0.021 0.000 0.980 220 T CB 0.783 69.625 68.868 -0.044 0.000 1.044 220 T HN 0.210 nan 8.240 nan 0.000 0.501 221 G N 1.447 110.246 108.800 -0.001 0.000 2.189 221 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.267 221 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.267 221 G C -0.210 174.695 174.900 0.009 0.000 0.975 221 G CA 0.416 45.520 45.100 0.007 0.000 0.644 221 G HN 0.676 nan 8.290 nan 0.000 0.537 222 E N 0.572 120.774 120.200 0.003 0.000 2.179 222 E HA 0.418 4.768 4.350 -0.000 0.000 0.275 222 E C 0.111 176.718 176.600 0.011 0.000 0.945 222 E CA -0.968 55.437 56.400 0.007 0.000 0.792 222 E CB 1.037 30.736 29.700 -0.002 0.000 1.125 222 E HN 0.023 nan 8.360 nan 0.000 0.397 223 K N 2.632 123.048 120.400 0.027 0.000 2.355 223 K HA 0.250 4.570 4.320 -0.000 0.000 0.270 223 K C -0.058 176.562 176.600 0.034 0.000 1.003 223 K CA 0.069 56.379 56.287 0.039 0.000 0.957 223 K CB 0.542 33.078 32.500 0.060 0.000 0.939 223 K HN 0.343 nan 8.250 nan 0.000 0.482 224 K N 0.536 120.961 120.400 0.041 0.000 2.509 224 K HA 0.496 4.816 4.320 -0.000 0.000 0.266 224 K C -0.224 176.425 176.600 0.082 0.000 0.987 224 K CA -0.684 55.622 56.287 0.031 0.000 0.868 224 K CB 2.210 34.702 32.500 -0.013 0.000 1.421 224 K HN 0.663 nan 8.250 nan 0.000 0.444 225 T N -0.691 113.918 114.554 0.091 0.000 2.671 225 T HA 0.644 4.994 4.350 -0.000 0.000 0.300 225 T C -2.116 172.701 174.700 0.195 0.000 1.238 225 T CA -0.540 61.667 62.100 0.178 0.000 1.020 225 T CB 0.961 69.989 68.868 0.267 0.000 1.503 225 T HN 0.548 nan 8.240 nan 0.000 0.497 226 W N 2.534 123.860 121.300 0.043 0.000 3.132 226 W HA 0.622 5.282 4.660 -0.000 0.000 0.337 226 W C -2.320 174.317 176.519 0.195 0.000 1.082 226 W CA -1.800 55.556 57.345 0.019 0.000 1.242 226 W CB 0.742 30.237 29.460 0.059 0.000 1.354 226 W HN 0.403 nan 8.180 nan 0.000 0.461 227 F N 5.845 125.605 119.950 -0.316 0.000 2.464 227 F HA 0.531 5.058 4.527 -0.000 0.000 0.353 227 F C 0.875 176.225 175.800 -0.751 0.000 1.191 227 F CA -1.370 56.339 58.000 -0.486 0.000 1.147 227 F CB -0.425 38.290 39.000 -0.476 0.000 1.294 227 F HN 0.452 nan 8.300 nan 0.000 0.583 228 A N 3.179 125.492 122.820 -0.846 0.000 2.276 228 A HA 0.326 4.646 4.320 -0.000 0.000 0.300 228 A C 0.360 177.805 177.584 -0.232 0.000 1.235 228 A CA -0.649 50.721 52.037 -1.112 0.000 0.867 228 A CB 0.024 17.992 19.000 -1.720 0.000 1.137 228 A HN 0.535 nan 8.150 nan 0.000 0.527 229 N N 2.842 121.529 118.700 -0.023 0.000 2.402 229 N HA 0.081 4.821 4.740 -0.000 0.000 0.259 229 N C 0.832 176.377 175.510 0.058 0.000 1.167 229 N CA -0.337 52.733 53.050 0.034 0.000 0.949 229 N CB 0.188 38.683 38.487 0.013 0.000 1.212 229 N HN 0.657 nan 8.380 nan 0.000 0.493 230 I N -0.131 120.383 120.570 -0.093 0.000 3.684 230 I HA 0.150 4.320 4.170 -0.000 0.000 0.304 230 I C -0.029 175.960 176.117 -0.215 0.000 1.278 230 I CA -0.145 60.971 61.300 -0.307 0.000 1.272 230 I CB -0.400 37.428 38.000 -0.286 0.000 1.029 230 I HN 0.082 nan 8.210 nan 0.000 0.458 231 T N 3.547 118.021 114.554 -0.134 0.000 2.849 231 T HA 0.367 4.717 4.350 -0.000 0.000 0.289 231 T C 0.169 174.806 174.700 -0.105 0.000 1.010 231 T CA 0.833 62.867 62.100 -0.109 0.000 1.161 231 T CB 0.210 69.021 68.868 -0.096 0.000 0.989 231 T HN 0.735 nan 8.240 nan 0.000 0.523 232 A N 3.598 126.365 122.820 -0.089 0.000 2.375 232 A HA 0.482 4.802 4.320 -0.000 0.000 0.299 232 A C -1.272 176.281 177.584 -0.052 0.000 1.044 232 A CA -0.999 50.994 52.037 -0.074 0.000 0.585 232 A CB 0.397 19.338 19.000 -0.097 0.000 1.438 232 A HN 0.610 nan 8.150 nan 0.000 0.574 233 D N -0.012 120.365 120.400 -0.038 0.000 2.378 233 D HA 0.233 4.873 4.640 -0.000 0.000 0.238 233 D C 1.482 177.772 176.300 -0.017 0.000 1.180 233 D CA -0.011 53.976 54.000 -0.022 0.000 0.895 233 D CB 0.876 41.667 40.800 -0.015 0.000 1.192 233 D HN 0.551 nan 8.370 nan 0.000 0.438 234 L N 2.148 123.372 121.223 0.002 0.000 1.971 234 L HA -0.214 4.126 4.340 -0.000 0.000 0.215 234 L C 2.264 179.154 176.870 0.034 0.000 1.072 234 L CA 1.658 56.515 54.840 0.029 0.000 0.758 234 L CB -0.726 41.353 42.059 0.034 0.000 0.889 234 L HN 0.495 nan 8.230 nan 0.000 0.433 235 L N -0.737 120.498 121.223 0.020 0.000 2.012 235 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 235 L C 2.479 179.350 176.870 0.002 0.000 1.073 235 L CA 1.702 56.555 54.840 0.022 0.000 0.748 235 L CB -0.329 41.737 42.059 0.011 0.000 0.891 235 L HN 0.325 nan 8.230 nan 0.000 0.431 236 E N -0.955 119.231 120.200 -0.023 0.000 2.110 236 E HA -0.234 4.115 4.350 -0.000 0.000 0.193 236 E C 2.161 178.698 176.600 -0.105 0.000 0.988 236 E CA 1.444 57.807 56.400 -0.061 0.000 0.804 236 E CB -0.176 29.482 29.700 -0.071 0.000 0.745 236 E HN 0.446 nan 8.360 nan 0.000 0.458 237 M N 0.023 119.573 119.600 -0.083 0.000 2.132 237 M HA -0.154 4.326 4.480 -0.000 0.000 0.263 237 M C 1.988 178.250 176.300 -0.064 0.000 1.065 237 M CA 1.344 56.580 55.300 -0.107 0.000 1.122 237 M CB -0.273 32.290 32.600 -0.063 0.000 1.365 237 M HN 0.123 nan 8.290 nan 0.000 0.411 238 E N 0.327 120.533 120.200 0.009 0.000 2.038 238 E HA -0.260 4.090 4.350 -0.000 0.000 0.195 238 E C 2.022 178.648 176.600 0.043 0.000 1.000 238 E CA 1.448 57.886 56.400 0.062 0.000 0.803 238 E CB -0.225 29.543 29.700 0.112 0.000 0.750 238 E HN 0.574 nan 8.360 nan 0.000 0.448 239 Q N 0.268 120.070 119.800 0.003 0.000 2.112 239 Q HA -0.188 4.152 4.340 -0.000 0.000 0.206 239 Q C 2.196 178.163 176.000 -0.055 0.000 0.987 239 Q CA 1.444 57.241 55.803 -0.011 0.000 0.858 239 Q CB -0.099 28.629 28.738 -0.018 0.000 0.905 239 Q HN 0.152 nan 8.270 nan 0.000 0.420 240 R N -0.035 120.361 120.500 -0.174 0.000 2.090 240 R HA -0.027 4.312 4.340 -0.000 0.000 0.228 240 R C 2.242 178.469 176.300 -0.121 0.000 1.110 240 R CA 0.746 56.636 56.100 -0.349 0.000 0.973 240 R CB -0.152 29.552 30.300 -0.993 0.000 0.869 240 R HN 0.211 nan 8.270 nan 0.000 0.440 241 L N 0.601 121.783 121.223 -0.068 0.000 2.046 241 L HA -0.204 4.135 4.340 -0.000 0.000 0.208 241 L C 2.569 179.359 176.870 -0.134 0.000 1.077 241 L CA 1.453 56.305 54.840 0.020 0.000 0.747 241 L CB -0.386 41.778 42.059 0.175 0.000 0.896 241 L HN 0.294 nan 8.230 nan 0.000 0.432 242 E N -0.005 120.120 120.200 -0.124 0.000 2.077 242 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 242 E C 2.229 178.725 176.600 -0.173 0.000 0.989 242 E CA 1.368 57.599 56.400 -0.281 0.000 0.800 242 E CB 0.138 29.803 29.700 -0.059 0.000 0.746 242 E HN 0.258 nan 8.360 nan 0.000 0.452 243 V N 1.365 121.273 119.914 -0.009 0.000 2.332 243 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 243 V C 2.413 178.561 176.094 0.089 0.000 1.055 243 V CA 1.502 63.857 62.300 0.091 0.000 1.038 243 V CB -0.440 31.541 31.823 0.263 0.000 0.651 243 V HN 0.335 nan 8.190 nan 0.000 0.450 244 L N -0.136 121.146 121.223 0.099 0.000 2.017 244 L HA -0.143 4.196 4.340 -0.000 0.000 0.208 244 L C 2.766 179.625 176.870 -0.020 0.000 1.073 244 L CA 1.609 56.503 54.840 0.090 0.000 0.745 244 L CB -0.884 41.233 42.059 0.096 0.000 0.894 244 L HN 0.352 nan 8.230 nan 0.000 0.432 245 A N 0.133 122.840 122.820 -0.188 0.000 1.851 245 A HA -0.260 4.060 4.320 -0.000 0.000 0.216 245 A C 1.934 179.444 177.584 -0.123 0.000 1.195 245 A CA 2.106 53.999 52.037 -0.241 0.000 0.622 245 A CB -0.762 17.822 19.000 -0.693 0.000 0.831 245 A HN 0.364 nan 8.150 nan 0.000 0.444 246 D N -0.091 120.230 120.400 -0.131 0.000 2.203 246 D HA -0.147 4.493 4.640 -0.000 0.000 0.199 246 D C 1.606 177.901 176.300 -0.008 0.000 0.997 246 D CA 1.101 55.071 54.000 -0.051 0.000 0.863 246 D CB -0.297 40.482 40.800 -0.035 0.000 0.928 246 D HN 0.470 nan 8.370 nan 0.000 0.458 247 L N -0.866 120.363 121.223 0.010 0.000 2.591 247 L HA 0.154 4.494 4.340 -0.000 0.000 0.228 247 L C 1.435 178.329 176.870 0.040 0.000 1.133 247 L CA 0.322 55.183 54.840 0.034 0.000 0.880 247 L CB -0.067 42.028 42.059 0.061 0.000 1.033 247 L HN 0.104 nan 8.230 nan 0.000 0.450 248 G N 0.761 109.579 108.800 0.031 0.000 2.160 248 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.251 248 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.251 248 G C 0.228 175.165 174.900 0.062 0.000 1.008 248 G CA 0.070 45.196 45.100 0.042 0.000 0.724 248 G HN 0.242 nan 8.290 nan 0.000 0.514 249 L N -1.369 119.901 121.223 0.079 0.000 2.475 249 L HA 0.481 4.821 4.340 -0.000 0.000 0.253 249 L C 1.749 178.662 176.870 0.072 0.000 1.198 249 L CA -0.113 54.797 54.840 0.117 0.000 0.814 249 L CB 0.603 42.779 42.059 0.195 0.000 1.134 249 L HN 0.118 nan 8.230 nan 0.000 0.478 250 K N -1.263 119.185 120.400 0.079 0.000 2.399 250 K HA 0.197 4.517 4.320 -0.000 0.000 0.196 250 K C -0.342 176.112 176.600 -0.244 0.000 1.117 250 K CA 0.061 56.313 56.287 -0.058 0.000 0.965 250 K CB 0.518 33.011 32.500 -0.010 0.000 0.983 250 K HN 0.429 nan 8.250 nan 0.000 0.531 251 H N -0.472 118.569 119.070 -0.048 0.000 2.572 251 H HA 0.553 5.109 4.556 -0.000 0.000 0.359 251 H C -1.334 173.918 175.328 -0.127 0.000 1.134 251 H CA -0.689 55.292 56.048 -0.111 0.000 1.187 251 H CB 2.036 31.780 29.762 -0.030 0.000 1.597 251 H HN 0.123 nan 8.280 nan 0.000 0.524 252 A N 3.343 126.144 122.820 -0.032 0.000 2.343 252 A HA 0.489 4.809 4.320 -0.000 0.000 0.316 252 A C -0.699 176.844 177.584 -0.068 0.000 1.104 252 A CA -0.777 51.225 52.037 -0.057 0.000 0.768 252 A CB 0.811 19.788 19.000 -0.038 0.000 1.213 252 A HN 0.729 nan 8.150 nan 0.000 0.456 253 M N 3.709 123.262 119.600 -0.079 0.000 2.238 253 M HA 0.661 5.141 4.480 -0.000 0.000 0.350 253 M C -1.822 174.438 176.300 -0.066 0.000 1.138 253 M CA -0.379 54.897 55.300 -0.040 0.000 1.040 253 M CB 1.126 33.739 32.600 0.021 0.000 1.639 253 M HN 0.385 nan 8.290 nan 0.000 0.451 254 V N 3.871 123.729 119.914 -0.092 0.000 2.638 254 V HA 0.299 4.419 4.120 -0.000 0.000 0.306 254 V C -1.009 175.001 176.094 -0.140 0.000 1.052 254 V CA -0.889 61.339 62.300 -0.119 0.000 0.885 254 V CB 2.064 33.805 31.823 -0.136 0.000 0.999 254 V HN 0.754 nan 8.190 nan 0.000 0.424 255 D N 3.282 123.608 120.400 -0.124 0.000 2.416 255 D HA 0.113 4.753 4.640 -0.000 0.000 0.240 255 D C 1.271 177.468 176.300 -0.171 0.000 1.250 255 D CA 0.083 54.012 54.000 -0.118 0.000 0.967 255 D CB 1.442 42.183 40.800 -0.097 0.000 1.059 255 D HN 0.478 nan 8.370 nan 0.000 0.512 256 V N 0.775 120.520 119.914 -0.283 0.000 2.427 256 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 256 V C 1.920 177.818 176.094 -0.327 0.000 1.051 256 V CA 0.922 62.974 62.300 -0.414 0.000 1.048 256 V CB -0.687 30.617 31.823 -0.866 0.000 0.666 256 V HN 0.284 nan 8.190 nan 0.000 0.456 257 V N 0.438 120.228 119.914 -0.207 0.000 2.358 257 V HA -0.161 3.958 4.120 -0.000 0.000 0.246 257 V C 2.525 178.584 176.094 -0.058 0.000 1.047 257 V CA 2.445 64.713 62.300 -0.054 0.000 1.035 257 V CB -0.522 31.364 31.823 0.105 0.000 0.658 257 V HN 0.448 nan 8.190 nan 0.000 0.452 258 I N -0.099 120.441 120.570 -0.051 0.000 2.252 258 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 258 I C 2.562 178.642 176.117 -0.063 0.000 1.102 258 I CA 1.749 63.027 61.300 -0.037 0.000 1.385 258 I CB -0.544 37.435 38.000 -0.034 0.000 1.064 258 I HN 0.295 nan 8.210 nan 0.000 0.414 259 T N 0.258 114.754 114.554 -0.098 0.000 2.720 259 T HA 0.023 4.373 4.350 -0.000 0.000 0.268 259 T C 0.913 175.559 174.700 -0.091 0.000 1.037 259 T CA 1.266 63.313 62.100 -0.088 0.000 1.144 259 T CB -0.529 68.278 68.868 -0.103 0.000 0.864 259 T HN 0.685 nan 8.240 nan 0.000 0.444 260 G N -0.725 107.966 108.800 -0.181 0.000 2.663 260 G HA2 -0.142 3.817 3.960 -0.000 0.000 0.686 260 G HA3 -0.142 3.817 3.960 -0.000 0.000 0.686 260 G C 0.047 174.834 174.900 -0.188 0.000 1.288 260 G CA -0.278 44.689 45.100 -0.221 0.000 0.836 260 G HN 0.379 nan 8.290 nan 0.000 0.584 261 W N 0.474 121.831 121.300 0.094 0.000 2.658 261 W HA 0.269 4.929 4.660 -0.000 0.000 0.263 261 W C 2.485 179.054 176.519 0.083 0.000 1.274 261 W CA 0.915 58.318 57.345 0.097 0.000 1.343 261 W CB -0.030 29.469 29.460 0.066 0.000 1.106 261 W HN 0.926 nan 8.180 nan 0.000 0.615 262 G N 0.532 109.480 108.800 0.247 0.000 2.422 262 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.218 262 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.218 262 G C 1.505 176.484 174.900 0.130 0.000 1.146 262 G CA 1.266 46.463 45.100 0.162 0.000 0.769 262 G HN 0.283 nan 8.290 nan 0.000 0.547 263 A N -0.916 121.977 122.820 0.122 0.000 2.431 263 A HA 0.527 4.847 4.320 -0.000 0.000 0.239 263 A C 1.867 179.552 177.584 0.168 0.000 1.230 263 A CA 0.014 52.133 52.037 0.136 0.000 0.928 263 A CB 0.081 19.144 19.000 0.105 0.000 1.006 263 A HN 0.239 nan 8.150 nan 0.000 0.520 264 L N 0.244 121.555 121.223 0.147 0.000 2.046 264 L HA -0.010 4.330 4.340 -0.000 0.000 0.208 264 L C 2.316 179.273 176.870 0.146 0.000 1.077 264 L CA 1.954 56.868 54.840 0.124 0.000 0.747 264 L CB -0.571 41.571 42.059 0.138 0.000 0.896 264 L HN 0.469 nan 8.230 nan 0.000 0.432 265 R N -2.083 118.532 120.500 0.192 0.000 2.081 265 R HA -0.238 4.102 4.340 -0.000 0.000 0.235 265 R C 2.373 178.756 176.300 0.138 0.000 1.131 265 R CA 1.687 57.890 56.100 0.171 0.000 0.960 265 R CB -0.487 29.917 30.300 0.173 0.000 0.856 265 R HN 0.432 nan 8.270 nan 0.000 0.436 266 Y N 1.208 121.533 120.300 0.041 0.000 2.145 266 Y HA -0.234 4.316 4.550 -0.000 0.000 0.286 266 Y C 1.988 177.889 175.900 0.001 0.000 1.145 266 Y CA 1.478 59.586 58.100 0.013 0.000 1.148 266 Y CB -0.238 38.228 38.460 0.010 0.000 0.981 266 Y HN -0.012 nan 8.280 nan 0.000 0.507 267 I N 0.816 121.348 120.570 -0.064 0.000 2.264 267 I HA -0.286 3.884 4.170 -0.000 0.000 0.248 267 I C 2.620 178.648 176.117 -0.149 0.000 1.111 267 I CA 1.566 62.775 61.300 -0.151 0.000 1.382 267 I CB -1.234 36.750 38.000 -0.027 0.000 1.060 267 I HN 0.318 nan 8.210 nan 0.000 0.418 268 R N 1.191 121.652 120.500 -0.066 0.000 2.092 268 R HA -0.165 4.175 4.340 -0.000 0.000 0.231 268 R C 1.571 177.831 176.300 -0.067 0.000 1.119 268 R CA 1.584 57.663 56.100 -0.035 0.000 0.970 268 R CB -0.296 30.023 30.300 0.032 0.000 0.864 268 R HN 0.292 nan 8.270 nan 0.000 0.440 269 D N 0.851 121.188 120.400 -0.104 0.000 2.123 269 D HA -0.136 4.504 4.640 -0.000 0.000 0.200 269 D C 1.890 178.052 176.300 -0.231 0.000 0.976 269 D CA 0.607 54.531 54.000 -0.126 0.000 0.831 269 D CB -0.201 40.544 40.800 -0.092 0.000 0.974 269 D HN 0.114 nan 8.370 nan 0.000 0.469 270 L N 1.223 122.215 121.223 -0.385 0.000 1.989 270 L HA -0.114 4.226 4.340 -0.000 0.000 0.211 270 L C 2.206 178.874 176.870 -0.337 0.000 1.071 270 L CA 1.811 56.363 54.840 -0.480 0.000 0.749 270 L CB -1.037 40.669 42.059 -0.588 0.000 0.890 270 L HN -0.019 nan 8.230 nan 0.000 0.431 271 A N -0.733 121.997 122.820 -0.150 0.000 1.908 271 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 271 A C 2.452 180.059 177.584 0.037 0.000 1.181 271 A CA 2.216 54.255 52.037 0.005 0.000 0.627 271 A CB -1.234 17.769 19.000 0.004 0.000 0.818 271 A HN 0.575 nan 8.150 nan 0.000 0.445 272 A N 0.138 122.955 122.820 -0.006 0.000 1.865 272 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 272 A C 1.789 179.369 177.584 -0.007 0.000 1.191 272 A CA 2.036 54.087 52.037 0.023 0.000 0.623 272 A CB -0.808 18.181 19.000 -0.018 0.000 0.826 272 A HN 0.475 nan 8.150 nan 0.000 0.444 273 D N -1.258 119.077 120.400 -0.109 0.000 2.158 273 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 273 D C 1.388 177.671 176.300 -0.028 0.000 0.995 273 D CA 1.387 55.307 54.000 -0.133 0.000 0.846 273 D CB -0.398 40.233 40.800 -0.282 0.000 0.941 273 D HN 0.580 nan 8.370 nan 0.000 0.456 274 Y N -0.092 120.215 120.300 0.011 0.000 2.529 274 Y HA 0.245 4.795 4.550 -0.000 0.000 0.290 274 Y C 1.815 177.750 175.900 0.059 0.000 1.177 274 Y CA 0.233 58.349 58.100 0.026 0.000 1.305 274 Y CB -0.233 38.235 38.460 0.012 0.000 1.047 274 Y HN 0.023 nan 8.280 nan 0.000 0.522 275 G N 0.779 109.721 108.800 0.237 0.000 2.221 275 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.265 275 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.265 275 G C -0.250 174.827 174.900 0.296 0.000 1.041 275 G CA 0.070 45.346 45.100 0.294 0.000 0.807 275 G HN 0.287 nan 8.290 nan 0.000 0.502 276 L N 0.220 121.565 121.223 0.203 0.000 2.282 276 L HA 0.731 5.071 4.340 -0.000 0.000 0.288 276 L C 0.923 177.687 176.870 -0.176 0.000 1.033 276 L CA -0.573 54.246 54.840 -0.035 0.000 0.807 276 L CB 1.706 43.775 42.059 0.016 0.000 1.209 276 L HN 0.310 nan 8.230 nan 0.000 0.423 277 A N 4.957 127.346 122.820 -0.718 0.000 2.371 277 A HA 0.635 4.955 4.320 -0.000 0.000 0.257 277 A C -0.243 177.139 177.584 -0.337 0.000 1.089 277 A CA -0.272 51.335 52.037 -0.717 0.000 0.794 277 A CB 0.171 18.409 19.000 -1.270 0.000 1.029 277 A HN 0.669 nan 8.150 nan 0.000 0.488 278 I N 1.495 121.979 120.570 -0.143 0.000 2.354 278 I HA 0.224 4.394 4.170 -0.000 0.000 0.292 278 I C -0.270 175.782 176.117 -0.108 0.000 0.989 278 I CA -0.417 60.825 61.300 -0.096 0.000 1.188 278 I CB 1.467 39.422 38.000 -0.075 0.000 1.342 278 I HN 0.812 nan 8.210 nan 0.000 0.457 279 H N 4.691 123.601 119.070 -0.267 0.000 2.556 279 H HA 0.520 5.076 4.556 -0.000 0.000 0.310 279 H C 0.025 175.215 175.328 -0.229 0.000 1.057 279 H CA -0.377 55.440 56.048 -0.385 0.000 1.264 279 H CB 1.314 30.590 29.762 -0.810 0.000 1.404 279 H HN 0.708 nan 8.280 nan 0.000 0.462 280 G N 4.705 113.120 108.800 -0.642 0.000 2.356 280 G HA2 0.124 4.084 3.960 -0.000 0.000 0.312 280 G HA3 0.124 4.084 3.960 -0.000 0.000 0.312 280 G C -0.938 173.650 174.900 -0.519 0.000 1.096 280 G CA -0.417 44.383 45.100 -0.499 0.000 0.950 280 G HN 0.740 nan 8.290 nan 0.000 0.428 281 H N 2.541 121.329 119.070 -0.470 0.000 2.473 281 H HA 0.231 4.787 4.556 -0.000 0.000 0.327 281 H C 0.883 175.981 175.328 -0.383 0.000 1.105 281 H CA -0.515 55.233 56.048 -0.500 0.000 1.280 281 H CB 1.406 30.958 29.762 -0.349 0.000 1.450 281 H HN 0.654 nan 8.280 nan 0.000 0.492 282 R N 2.955 123.154 120.500 -0.501 0.000 2.466 282 R HA 0.405 4.744 4.340 -0.000 0.000 0.279 282 R C 0.338 176.664 176.300 0.043 0.000 0.976 282 R CA -0.367 55.601 56.100 -0.220 0.000 1.081 282 R CB 0.143 30.251 30.300 -0.320 0.000 1.215 282 R HN 0.361 nan 8.270 nan 0.000 0.546 283 A N 1.704 124.646 122.820 0.203 0.000 2.598 283 A HA 0.045 4.365 4.320 -0.000 0.000 0.239 283 A C 0.931 178.552 177.584 0.061 0.000 1.032 283 A CA 1.144 53.285 52.037 0.174 0.000 0.760 283 A CB -0.201 18.886 19.000 0.145 0.000 0.946 283 A HN 0.850 nan 8.150 nan 0.000 0.512 284 M N 0.374 119.965 119.600 -0.016 0.000 3.038 284 M HA -0.289 4.190 4.480 -0.000 0.000 0.218 284 M C 1.042 177.208 176.300 -0.222 0.000 0.566 284 M CA 1.905 57.165 55.300 -0.066 0.000 0.836 284 M CB -2.006 30.609 32.600 0.025 0.000 2.977 284 M HN 1.283 nan 8.290 nan 0.000 0.299 285 H N -0.176 118.729 119.070 -0.276 0.000 2.352 285 H HA 0.208 4.763 4.556 -0.000 0.000 0.299 285 H C 1.690 176.538 175.328 -0.802 0.000 1.097 285 H CA 2.201 57.874 56.048 -0.626 0.000 1.311 285 H CB -0.704 28.855 29.762 -0.338 0.000 1.377 285 H HN 0.511 nan 8.280 nan 0.000 0.504 286 A N 1.149 123.216 122.820 -1.255 0.000 2.178 286 A HA 0.102 4.422 4.320 -0.000 0.000 0.218 286 A C 2.565 179.887 177.584 -0.437 0.000 1.157 286 A CA 1.040 52.599 52.037 -0.797 0.000 0.689 286 A CB -1.132 17.468 19.000 -0.668 0.000 0.787 286 A HN 0.742 nan 8.150 nan 0.000 0.465 287 A N -0.563 122.017 122.820 -0.400 0.000 2.070 287 A HA 0.091 4.411 4.320 -0.000 0.000 0.220 287 A C 1.543 179.114 177.584 -0.022 0.000 1.159 287 A CA 1.596 53.548 52.037 -0.141 0.000 0.656 287 A CB -0.590 18.406 19.000 -0.006 0.000 0.800 287 A HN 1.164 nan 8.150 nan 0.000 0.453 288 F N -3.436 116.492 119.950 -0.037 0.000 2.880 288 F HA 0.205 4.732 4.527 -0.000 0.000 0.346 288 F C 1.530 177.317 175.800 -0.022 0.000 1.054 288 F CA 0.570 58.542 58.000 -0.047 0.000 1.151 288 F CB -0.497 38.443 39.000 -0.101 0.000 1.066 288 F HN 0.022 nan 8.300 nan 0.000 0.566 289 T N -2.524 111.908 114.554 -0.202 0.000 3.065 289 T HA 0.162 4.512 4.350 -0.000 0.000 0.252 289 T C 1.796 176.502 174.700 0.010 0.000 1.099 289 T CA 0.543 62.641 62.100 -0.003 0.000 1.063 289 T CB -0.086 68.806 68.868 0.041 0.000 0.948 289 T HN 0.374 nan 8.240 nan 0.000 0.506 290 R N 1.399 121.878 120.500 -0.035 0.000 2.080 290 R HA 0.124 4.464 4.340 -0.000 0.000 0.222 290 R C 0.704 177.017 176.300 0.020 0.000 1.107 290 R CA 0.355 56.445 56.100 -0.016 0.000 0.980 290 R CB -0.139 30.130 30.300 -0.050 0.000 0.879 290 R HN 0.251 nan 8.270 nan 0.000 0.439 291 N N 1.939 120.674 118.700 0.058 0.000 2.416 291 N HA 0.001 4.740 4.740 -0.000 0.000 0.265 291 N C -1.905 173.653 175.510 0.079 0.000 1.195 291 N CA -1.548 51.566 53.050 0.107 0.000 0.943 291 N CB 1.501 40.094 38.487 0.177 0.000 1.115 291 N HN 0.112 nan 8.380 nan 0.000 0.481 292 P HA -0.096 nan 4.420 nan 0.000 0.231 292 P C 0.063 177.194 177.300 -0.281 0.000 1.158 292 P CA 1.121 64.103 63.100 -0.197 0.000 0.763 292 P CB 0.027 31.525 31.700 -0.336 0.000 0.805 293 Y N -1.955 118.429 120.300 0.140 0.000 2.467 293 Y HA 0.299 4.848 4.550 -0.000 0.000 0.250 293 Y C 0.597 176.669 175.900 0.286 0.000 1.155 293 Y CA -0.123 58.089 58.100 0.187 0.000 1.249 293 Y CB 0.221 38.775 38.460 0.156 0.000 1.146 293 Y HN 0.040 nan 8.280 nan 0.000 0.524 294 H N -0.964 118.250 119.070 0.239 0.000 3.155 294 H HA 0.527 5.083 4.556 -0.000 0.000 0.328 294 H C -0.075 175.353 175.328 0.166 0.000 1.059 294 H CA -0.180 56.009 56.048 0.235 0.000 1.378 294 H CB 0.855 30.744 29.762 0.212 0.000 1.998 294 H HN 0.249 nan 8.280 nan 0.000 0.480 295 G N 2.489 111.126 108.800 -0.272 0.000 2.265 295 G HA2 0.021 3.981 3.960 -0.000 0.000 0.246 295 G HA3 0.021 3.981 3.960 -0.000 0.000 0.246 295 G C -1.551 173.309 174.900 -0.066 0.000 1.299 295 G CA -0.399 44.531 45.100 -0.283 0.000 1.117 295 G HN 0.615 nan 8.290 nan 0.000 0.485 296 I N 1.167 121.796 120.570 0.098 0.000 2.433 296 I HA 0.520 4.690 4.170 -0.000 0.000 0.292 296 I C 0.761 177.027 176.117 0.249 0.000 1.001 296 I CA -0.678 60.741 61.300 0.198 0.000 1.119 296 I CB 1.979 40.073 38.000 0.157 0.000 1.289 296 I HN 0.626 nan 8.210 nan 0.000 0.438 297 S N 4.755 120.561 115.700 0.178 0.000 2.576 297 S HA 0.079 4.549 4.470 -0.000 0.000 0.276 297 S C 1.015 175.720 174.600 0.175 0.000 1.339 297 S CA -0.459 57.833 58.200 0.152 0.000 1.039 297 S CB 0.743 64.022 63.200 0.132 0.000 0.902 297 S HN 0.650 nan 8.310 nan 0.000 0.516 298 M N 4.959 124.639 119.600 0.134 0.000 2.358 298 M HA 0.036 4.515 4.480 -0.000 0.000 0.264 298 M C 1.180 177.518 176.300 0.064 0.000 1.064 298 M CA 1.527 56.875 55.300 0.079 0.000 1.093 298 M CB -0.876 31.722 32.600 -0.004 0.000 1.401 298 M HN 0.845 nan 8.290 nan 0.000 0.440 299 F N -0.726 119.195 119.950 -0.048 0.000 2.171 299 F HA -0.171 4.356 4.527 -0.000 0.000 0.300 299 F C 1.773 177.504 175.800 -0.115 0.000 1.090 299 F CA 1.602 59.534 58.000 -0.113 0.000 1.293 299 F CB -0.271 38.659 39.000 -0.116 0.000 1.013 299 F HN -0.024 nan 8.300 nan 0.000 0.486 300 V N -0.172 119.799 119.914 0.095 0.000 2.307 300 V HA -0.273 3.847 4.120 -0.000 0.000 0.245 300 V C 2.329 178.333 176.094 -0.151 0.000 1.045 300 V CA 1.338 63.610 62.300 -0.047 0.000 1.024 300 V CB -0.715 31.112 31.823 0.006 0.000 0.651 300 V HN 0.239 nan 8.190 nan 0.000 0.449 301 L N 0.623 121.815 121.223 -0.051 0.000 2.013 301 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 301 L C 2.646 179.406 176.870 -0.182 0.000 1.073 301 L CA 2.440 57.214 54.840 -0.110 0.000 0.753 301 L CB -1.449 40.684 42.059 0.124 0.000 0.890 301 L HN 0.312 nan 8.230 nan 0.000 0.432 302 A N -0.809 121.933 122.820 -0.129 0.000 1.865 302 A HA -0.309 4.011 4.320 -0.000 0.000 0.217 302 A C 2.453 179.890 177.584 -0.246 0.000 1.191 302 A CA 2.241 54.182 52.037 -0.161 0.000 0.623 302 A CB -0.612 18.221 19.000 -0.279 0.000 0.826 302 A HN 0.432 nan 8.150 nan 0.000 0.444 303 K N -0.314 119.861 120.400 -0.375 0.000 2.032 303 K HA -0.118 4.202 4.320 -0.000 0.000 0.209 303 K C 1.952 178.368 176.600 -0.307 0.000 1.048 303 K CA 1.658 57.742 56.287 -0.338 0.000 0.927 303 K CB -0.359 31.901 32.500 -0.401 0.000 0.712 303 K HN 0.487 nan 8.250 nan 0.000 0.441 304 L N -0.046 120.963 121.223 -0.357 0.000 2.046 304 L HA -0.191 4.148 4.340 -0.000 0.000 0.208 304 L C 2.459 179.229 176.870 -0.167 0.000 1.077 304 L CA 1.172 55.801 54.840 -0.352 0.000 0.747 304 L CB -0.632 41.217 42.059 -0.350 0.000 0.896 304 L HN 0.210 nan 8.230 nan 0.000 0.432 305 Y N -0.136 120.171 120.300 0.012 0.000 2.242 305 Y HA -0.193 4.356 4.550 -0.000 0.000 0.291 305 Y C 2.805 178.662 175.900 -0.071 0.000 1.137 305 Y CA 0.998 59.091 58.100 -0.012 0.000 1.181 305 Y CB -0.662 37.762 38.460 -0.061 0.000 0.989 305 Y HN 0.103 nan 8.280 nan 0.000 0.527 306 R N -0.105 120.399 120.500 0.006 0.000 2.081 306 R HA -0.166 4.174 4.340 -0.000 0.000 0.235 306 R C 1.890 178.154 176.300 -0.061 0.000 1.131 306 R CA 1.250 57.308 56.100 -0.069 0.000 0.960 306 R CB -0.422 29.766 30.300 -0.186 0.000 0.856 306 R HN 0.223 nan 8.270 nan 0.000 0.436 307 L N 1.230 122.367 121.223 -0.143 0.000 1.989 307 L HA -0.166 4.174 4.340 -0.000 0.000 0.211 307 L C 2.354 179.195 176.870 -0.049 0.000 1.071 307 L CA 1.620 56.297 54.840 -0.272 0.000 0.749 307 L CB -0.792 40.720 42.059 -0.911 0.000 0.890 307 L HN 0.257 nan 8.230 nan 0.000 0.431 308 I N -0.944 119.651 120.570 0.042 0.000 2.163 308 I HA -0.210 3.960 4.170 -0.000 0.000 0.243 308 I C 1.412 177.644 176.117 0.192 0.000 1.085 308 I CA 1.505 62.972 61.300 0.278 0.000 1.347 308 I CB -0.330 37.856 38.000 0.310 0.000 1.044 308 I HN 0.525 nan 8.210 nan 0.000 0.408 309 G N 0.364 109.235 108.800 0.118 0.000 2.207 309 G HA2 -0.071 3.888 3.960 -0.000 0.000 0.193 309 G HA3 -0.071 3.888 3.960 -0.000 0.000 0.193 309 G C -0.050 174.878 174.900 0.047 0.000 1.050 309 G CA -0.789 44.358 45.100 0.077 0.000 0.780 309 G HN 0.033 nan 8.290 nan 0.000 0.504 310 I N 1.949 122.539 120.570 0.034 0.000 2.505 310 I HA 0.149 4.319 4.170 -0.000 0.000 0.287 310 I C 0.998 177.096 176.117 -0.031 0.000 1.104 310 I CA -0.184 61.100 61.300 -0.028 0.000 1.387 310 I CB 0.544 38.497 38.000 -0.079 0.000 1.404 310 I HN 0.131 nan 8.210 nan 0.000 0.528 311 D N 5.062 125.449 120.400 -0.021 0.000 2.183 311 D HA -0.081 4.559 4.640 -0.000 0.000 0.203 311 D C 0.376 176.692 176.300 0.028 0.000 0.969 311 D CA 1.261 55.273 54.000 0.022 0.000 0.842 311 D CB 0.550 41.382 40.800 0.054 0.000 0.957 311 D HN 0.622 nan 8.370 nan 0.000 0.484 312 Q N -0.135 119.639 119.800 -0.044 0.000 2.359 312 Q HA 0.621 4.960 4.340 -0.000 0.000 0.274 312 Q C -1.401 174.466 176.000 -0.221 0.000 1.074 312 Q CA -0.662 55.111 55.803 -0.049 0.000 0.810 312 Q CB 3.196 31.919 28.738 -0.025 0.000 1.342 312 Q HN -0.058 nan 8.270 nan 0.000 0.427 313 L N 0.786 121.906 121.223 -0.173 0.000 2.513 313 L HA 0.373 4.712 4.340 -0.000 0.000 0.261 313 L C -1.403 175.396 176.870 -0.119 0.000 0.945 313 L CA -0.204 54.520 54.840 -0.193 0.000 0.848 313 L CB 1.929 43.899 42.059 -0.149 0.000 1.334 313 L HN 0.698 nan 8.230 nan 0.000 0.407 314 H N 3.724 122.616 119.070 -0.297 0.000 2.732 314 H HA 0.356 4.912 4.556 -0.000 0.000 0.351 314 H C 0.444 175.643 175.328 -0.216 0.000 1.090 314 H CA 0.541 56.451 56.048 -0.229 0.000 1.431 314 H CB 1.721 31.300 29.762 -0.305 0.000 1.447 314 H HN 0.619 nan 8.280 nan 0.000 0.582 315 V N -0.368 119.502 119.914 -0.072 0.000 3.382 315 V HA 0.445 4.565 4.120 -0.000 0.000 0.296 315 V C 0.774 176.827 176.094 -0.068 0.000 1.529 315 V CA 0.318 62.564 62.300 -0.090 0.000 1.048 315 V CB 0.410 32.187 31.823 -0.075 0.000 0.878 315 V HN 1.087 nan 8.190 nan 0.000 0.442 316 G N 1.399 110.171 108.800 -0.047 0.000 2.525 316 G HA2 0.054 4.014 3.960 -0.000 0.000 0.685 316 G HA3 0.054 4.014 3.960 -0.000 0.000 0.685 316 G C 0.216 175.104 174.900 -0.020 0.000 1.290 316 G CA 0.395 45.483 45.100 -0.021 0.000 0.915 316 G HN 1.252 nan 8.290 nan 0.000 0.548 317 T N -2.781 111.765 114.554 -0.013 0.000 3.044 317 T HA 0.639 4.989 4.350 -0.000 0.000 0.260 317 T C 1.481 176.170 174.700 -0.019 0.000 1.019 317 T CA 1.670 63.757 62.100 -0.022 0.000 0.921 317 T CB 0.516 69.367 68.868 -0.029 0.000 1.053 317 T HN 2.723 nan 8.240 nan 0.000 0.533 318 A N 0.352 123.167 122.820 -0.009 0.000 3.095 318 A HA 0.251 4.571 4.320 -0.000 0.000 0.248 318 A C 1.736 179.318 177.584 -0.003 0.000 1.369 318 A CA 0.947 52.982 52.037 -0.004 0.000 0.843 318 A CB -2.221 16.776 19.000 -0.005 0.000 1.064 318 A HN 2.139 nan 8.150 nan 0.000 0.636 319 G N -2.795 106.003 108.800 -0.003 0.000 2.176 319 G HA2 0.110 4.070 3.960 -0.000 0.000 0.253 319 G HA3 0.110 4.070 3.960 -0.000 0.000 0.253 319 G C 1.407 176.303 174.900 -0.006 0.000 0.979 319 G CA 1.265 46.365 45.100 -0.000 0.000 0.641 319 G HN 2.332 nan 8.290 nan 0.000 0.530 320 A N -0.044 122.765 122.820 -0.019 0.000 2.123 320 A HA 0.636 4.956 4.320 -0.000 0.000 0.214 320 A C 1.701 179.257 177.584 -0.046 0.000 1.152 320 A CA 1.991 54.006 52.037 -0.037 0.000 0.728 320 A CB -0.137 18.826 19.000 -0.061 0.000 0.814 320 A HN 1.731 nan 8.150 nan 0.000 0.464 321 G N -0.763 108.017 108.800 -0.033 0.000 2.795 321 G HA2 0.424 4.384 3.960 -0.000 0.000 0.267 321 G HA3 0.424 4.384 3.960 -0.000 0.000 0.267 321 G C 0.549 175.444 174.900 -0.009 0.000 1.362 321 G CA 0.078 45.159 45.100 -0.032 0.000 1.048 321 G HN 0.289 nan 8.290 nan 0.000 0.547 322 K N -1.300 119.098 120.400 -0.003 0.000 2.418 322 K HA 0.239 4.559 4.320 -0.000 0.000 0.195 322 K C 0.373 176.981 176.600 0.014 0.000 1.035 322 K CA 0.318 56.610 56.287 0.008 0.000 1.003 322 K CB -0.125 32.381 32.500 0.010 0.000 0.793 322 K HN 0.212 nan 8.250 nan 0.000 0.494 323 L N 1.325 122.558 121.223 0.018 0.000 2.322 323 L HA 0.316 4.656 4.340 -0.000 0.000 0.269 323 L C 0.203 177.086 176.870 0.021 0.000 1.012 323 L CA -1.254 53.599 54.840 0.022 0.000 0.815 323 L CB 1.496 43.579 42.059 0.040 0.000 1.295 323 L HN 0.079 nan 8.230 nan 0.000 0.438 324 E N 1.245 121.456 120.200 0.018 0.000 2.373 324 E HA 0.419 4.768 4.350 -0.000 0.000 0.267 324 E C -0.388 176.229 176.600 0.028 0.000 1.032 324 E CA 0.192 56.602 56.400 0.017 0.000 0.889 324 E CB 1.350 31.055 29.700 0.007 0.000 0.984 324 E HN 0.735 nan 8.360 nan 0.000 0.425 325 G N 3.926 112.737 108.800 0.018 0.000 1.956 325 G HA2 0.039 3.999 3.960 -0.000 0.000 0.189 325 G HA3 0.039 3.999 3.960 -0.000 0.000 0.189 325 G C -0.601 174.303 174.900 0.008 0.000 1.568 325 G CA -0.266 44.843 45.100 0.015 0.000 1.002 325 G HN 0.575 nan 8.290 nan 0.000 0.653 326 E N 2.012 122.215 120.200 0.004 0.000 2.391 326 E HA 0.453 4.802 4.350 -0.000 0.000 0.255 326 E C 1.473 178.078 176.600 0.008 0.000 1.187 326 E CA -0.631 55.773 56.400 0.005 0.000 0.941 326 E CB 1.382 31.084 29.700 0.003 0.000 1.010 326 E HN 0.433 nan 8.360 nan 0.000 0.458 327 R N 1.242 121.749 120.500 0.011 0.000 2.097 327 R HA -0.265 4.075 4.340 -0.000 0.000 0.236 327 R C 2.339 178.653 176.300 0.024 0.000 1.135 327 R CA 2.834 58.943 56.100 0.015 0.000 0.934 327 R CB -1.192 29.117 30.300 0.015 0.000 0.846 327 R HN 0.847 nan 8.270 nan 0.000 0.431 328 D N 0.490 120.908 120.400 0.030 0.000 2.106 328 D HA -0.182 4.458 4.640 -0.000 0.000 0.191 328 D C 1.916 178.247 176.300 0.051 0.000 0.997 328 D CA 1.820 55.849 54.000 0.047 0.000 0.834 328 D CB -0.541 40.292 40.800 0.055 0.000 0.956 328 D HN 0.379 nan 8.370 nan 0.000 0.448 329 I N 0.648 121.235 120.570 0.027 0.000 2.226 329 I HA -0.197 3.973 4.170 -0.000 0.000 0.245 329 I C 2.886 179.026 176.117 0.039 0.000 1.100 329 I CA 1.837 63.153 61.300 0.027 0.000 1.374 329 I CB -0.455 37.542 38.000 -0.005 0.000 1.057 329 I HN 0.235 nan 8.210 nan 0.000 0.413 330 T N 1.107 115.674 114.554 0.023 0.000 2.788 330 T HA -0.103 4.247 4.350 -0.000 0.000 0.268 330 T C 1.888 176.601 174.700 0.022 0.000 1.044 330 T CA 1.211 63.319 62.100 0.012 0.000 1.139 330 T CB -0.225 68.644 68.868 0.002 0.000 0.867 330 T HN 0.249 nan 8.240 nan 0.000 0.454 331 I N 0.976 121.569 120.570 0.038 0.000 2.179 331 I HA -0.191 3.979 4.170 -0.000 0.000 0.242 331 I C 2.817 178.982 176.117 0.080 0.000 1.088 331 I CA 1.030 62.361 61.300 0.052 0.000 1.357 331 I CB -0.343 37.693 38.000 0.059 0.000 1.051 331 I HN 0.141 nan 8.210 nan 0.000 0.409 332 Q N 0.640 120.506 119.800 0.109 0.000 2.084 332 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 332 Q C 1.962 178.052 176.000 0.149 0.000 0.978 332 Q CA 1.357 57.266 55.803 0.178 0.000 0.844 332 Q CB -0.790 27.991 28.738 0.070 0.000 0.898 332 Q HN 0.516 nan 8.270 nan 0.000 0.426 333 N N 1.021 119.766 118.700 0.074 0.000 2.061 333 N HA -0.163 4.577 4.740 -0.000 0.000 0.193 333 N C 1.660 177.090 175.510 -0.132 0.000 1.030 333 N CA 1.791 54.794 53.050 -0.078 0.000 0.856 333 N CB -0.486 37.968 38.487 -0.053 0.000 1.023 333 N HN 0.311 nan 8.380 nan 0.000 0.424 334 A N 1.466 124.250 122.820 -0.059 0.000 1.873 334 A HA -0.094 4.226 4.320 -0.000 0.000 0.215 334 A C 2.238 179.780 177.584 -0.070 0.000 1.186 334 A CA 1.130 53.132 52.037 -0.057 0.000 0.616 334 A CB -0.413 18.579 19.000 -0.015 0.000 0.823 334 A HN 0.223 nan 8.150 nan 0.000 0.442 335 R N -1.135 119.359 120.500 -0.010 0.000 2.094 335 R HA -0.169 4.171 4.340 -0.000 0.000 0.239 335 R C 1.957 178.206 176.300 -0.084 0.000 1.137 335 R CA 1.712 57.840 56.100 0.047 0.000 0.943 335 R CB -0.637 29.814 30.300 0.252 0.000 0.850 335 R HN 0.500 nan 8.270 nan 0.000 0.433 336 I N 1.003 121.404 120.570 -0.283 0.000 2.614 336 I HA -0.160 4.010 4.170 -0.000 0.000 0.258 336 I C 1.881 177.689 176.117 -0.514 0.000 1.189 336 I CA 1.111 62.097 61.300 -0.524 0.000 1.462 336 I CB -0.004 37.345 38.000 -1.084 0.000 1.092 336 I HN 0.135 nan 8.210 nan 0.000 0.442 337 L N -0.752 120.237 121.223 -0.389 0.000 2.240 337 L HA -0.085 4.255 4.340 -0.000 0.000 0.211 337 L C 2.425 179.076 176.870 -0.364 0.000 1.106 337 L CA 0.957 55.585 54.840 -0.354 0.000 0.793 337 L CB -0.306 41.620 42.059 -0.223 0.000 0.927 337 L HN 0.159 nan 8.230 nan 0.000 0.446 338 R N -0.758 119.567 120.500 -0.292 0.000 2.164 338 R HA 0.116 4.455 4.340 -0.000 0.000 0.198 338 R C 0.273 176.439 176.300 -0.223 0.000 1.028 338 R CA -0.078 55.880 56.100 -0.237 0.000 1.083 338 R CB 0.307 30.518 30.300 -0.150 0.000 1.026 338 R HN 0.269 nan 8.270 nan 0.000 0.514 339 E N 1.219 121.324 120.200 -0.159 0.000 2.360 339 E HA -0.011 4.339 4.350 -0.000 0.000 0.269 339 E C 0.609 177.191 176.600 -0.029 0.000 1.022 339 E CA 0.013 56.395 56.400 -0.031 0.000 0.887 339 E CB 1.283 31.057 29.700 0.123 0.000 0.990 339 E HN 0.181 nan 8.360 nan 0.000 0.426 340 S N 2.089 117.817 115.700 0.046 0.000 2.461 340 S HA -0.140 4.329 4.470 -0.000 0.000 0.228 340 S C 0.631 175.377 174.600 0.244 0.000 1.005 340 S CA 0.612 58.880 58.200 0.113 0.000 0.942 340 S CB -0.042 63.195 63.200 0.062 0.000 0.776 340 S HN 0.672 nan 8.310 nan 0.000 0.514 341 H N -0.333 118.816 119.070 0.133 0.000 3.108 341 H HA 0.363 4.919 4.556 -0.000 0.000 0.301 341 H C -1.682 173.752 175.328 0.176 0.000 1.139 341 H CA -1.119 55.004 56.048 0.125 0.000 1.552 341 H CB 0.467 30.240 29.762 0.018 0.000 1.663 341 H HN 0.334 nan 8.280 nan 0.000 0.517 342 Y N 4.921 125.453 120.300 0.386 0.000 2.359 342 Y HA 0.272 4.822 4.550 -0.000 0.000 0.334 342 Y C -0.867 175.206 175.900 0.288 0.000 1.058 342 Y CA -0.241 58.035 58.100 0.294 0.000 1.244 342 Y CB 0.465 39.117 38.460 0.319 0.000 1.187 342 Y HN 0.447 nan 8.280 nan 0.000 0.510 343 K N 9.025 129.166 120.400 -0.431 0.000 2.413 343 K HA 0.355 4.675 4.320 -0.000 0.000 0.257 343 K C -2.693 173.507 176.600 -0.666 0.000 0.946 343 K CA -2.019 54.033 56.287 -0.392 0.000 0.823 343 K CB 1.514 33.888 32.500 -0.210 0.000 1.109 343 K HN 0.481 nan 8.250 nan 0.000 0.427 344 P HA 0.029 nan 4.420 nan 0.000 0.272 344 P C -0.699 176.517 177.300 -0.141 0.000 1.223 344 P CA -0.255 62.684 63.100 -0.268 0.000 0.784 344 P CB 0.628 32.344 31.700 0.026 0.000 0.923 345 D N 0.769 121.131 120.400 -0.063 0.000 2.378 345 D HA -0.041 4.598 4.640 -0.000 0.000 0.238 345 D C 1.387 177.659 176.300 -0.047 0.000 1.180 345 D CA -0.040 53.933 54.000 -0.045 0.000 0.895 345 D CB 0.512 41.308 40.800 -0.007 0.000 1.192 345 D HN 0.520 nan 8.370 nan 0.000 0.438 346 E N 0.516 120.687 120.200 -0.048 0.000 2.147 346 E HA -0.266 4.084 4.350 -0.000 0.000 0.199 346 E C 0.530 177.090 176.600 -0.068 0.000 1.005 346 E CA 1.419 57.787 56.400 -0.053 0.000 0.810 346 E CB 0.053 29.728 29.700 -0.043 0.000 0.736 346 E HN 0.464 nan 8.360 nan 0.000 0.460 347 N N 0.116 118.781 118.700 -0.058 0.000 2.279 347 N HA 0.010 4.749 4.740 -0.000 0.000 0.226 347 N C -0.784 174.665 175.510 -0.101 0.000 1.126 347 N CA -0.084 52.918 53.050 -0.079 0.000 0.846 347 N CB 0.556 39.016 38.487 -0.046 0.000 1.050 347 N HN -0.066 nan 8.380 nan 0.000 0.502 348 D N 0.999 121.345 120.400 -0.089 0.000 2.347 348 D HA 0.039 4.679 4.640 -0.000 0.000 0.235 348 D C 1.002 177.144 176.300 -0.263 0.000 1.149 348 D CA -0.610 53.333 54.000 -0.095 0.000 0.850 348 D CB 1.501 42.334 40.800 0.056 0.000 1.061 348 D HN 0.077 nan 8.370 nan 0.000 0.487 349 V N 1.900 121.483 119.914 -0.552 0.000 3.647 349 V HA 0.188 4.307 4.120 -0.000 0.000 0.279 349 V C 1.046 176.737 176.094 -0.671 0.000 1.314 349 V CA 0.266 62.172 62.300 -0.656 0.000 1.125 349 V CB -0.965 30.360 31.823 -0.830 0.000 0.907 349 V HN 0.271 nan 8.190 nan 0.000 0.434 350 F N 0.194 119.901 119.950 -0.404 0.000 2.374 350 F HA 0.393 4.919 4.527 -0.000 0.000 0.291 350 F C 1.439 176.843 175.800 -0.660 0.000 1.084 350 F CA -0.013 57.608 58.000 -0.632 0.000 1.413 350 F CB -0.169 38.227 39.000 -1.008 0.000 1.099 350 F HN 0.271 nan 8.300 nan 0.000 0.534 351 H N 0.428 119.495 119.070 -0.005 0.000 2.569 351 H HA 0.564 5.120 4.556 -0.000 0.000 0.357 351 H C -0.501 174.902 175.328 0.125 0.000 1.153 351 H CA -0.881 55.152 56.048 -0.026 0.000 1.193 351 H CB 1.875 31.518 29.762 -0.199 0.000 1.602 351 H HN -0.080 nan 8.280 nan 0.000 0.523 352 L N 0.902 122.320 121.223 0.325 0.000 2.334 352 L HA 0.240 4.580 4.340 -0.000 0.000 0.272 352 L C 0.861 177.957 176.870 0.376 0.000 1.020 352 L CA -0.814 54.176 54.840 0.249 0.000 0.812 352 L CB 1.575 43.727 42.059 0.155 0.000 1.264 352 L HN 0.585 nan 8.230 nan 0.000 0.439 353 E N 2.037 122.373 120.200 0.225 0.000 2.529 353 E HA -0.060 4.290 4.350 -0.000 0.000 0.259 353 E C -0.828 175.977 176.600 0.342 0.000 0.966 353 E CA 0.180 56.734 56.400 0.257 0.000 0.937 353 E CB 0.593 30.380 29.700 0.145 0.000 0.923 353 E HN 0.396 nan 8.360 nan 0.000 0.468 354 Q N 3.629 123.648 119.800 0.366 0.000 2.275 354 Q HA 0.249 4.589 4.340 -0.000 0.000 0.258 354 Q C -1.733 174.212 176.000 -0.092 0.000 0.960 354 Q CA -0.593 55.308 55.803 0.162 0.000 0.801 354 Q CB 1.165 29.938 28.738 0.058 0.000 1.302 354 Q HN 0.378 nan 8.270 nan 0.000 0.433 355 K N 3.064 123.268 120.400 -0.326 0.000 2.144 355 K HA 0.338 4.658 4.320 -0.000 0.000 0.270 355 K C -0.340 175.950 176.600 -0.517 0.000 1.005 355 K CA -0.198 55.758 56.287 -0.551 0.000 0.932 355 K CB 0.742 32.692 32.500 -0.916 0.000 1.021 355 K HN 0.598 nan 8.250 nan 0.000 0.462 356 F N 0.752 120.540 119.950 -0.271 0.000 2.728 356 F HA 0.103 4.630 4.527 -0.000 0.000 0.314 356 F C 0.121 175.952 175.800 0.051 0.000 1.094 356 F CA -0.257 57.705 58.000 -0.062 0.000 1.217 356 F CB 0.011 38.976 39.000 -0.059 0.000 1.056 356 F HN 0.648 nan 8.300 nan 0.000 0.577 357 Y N -0.507 119.855 120.300 0.103 0.000 2.817 357 Y HA -0.511 4.039 4.550 -0.000 0.000 0.471 357 Y C 2.225 178.171 175.900 0.076 0.000 1.142 357 Y CA 1.443 59.581 58.100 0.062 0.000 2.725 357 Y CB -1.896 36.578 38.460 0.024 0.000 1.169 357 Y HN 0.034 nan 8.280 nan 0.000 0.619 358 S N 0.222 116.076 115.700 0.256 0.000 2.540 358 S HA 0.266 4.736 4.470 -0.000 0.000 0.218 358 S C 0.234 174.902 174.600 0.113 0.000 0.977 358 S CA -0.006 58.279 58.200 0.140 0.000 0.918 358 S CB 0.001 63.262 63.200 0.102 0.000 0.806 358 S HN 0.307 nan 8.310 nan 0.000 0.496 359 I N 3.742 124.410 120.570 0.163 0.000 2.752 359 I HA 0.074 4.244 4.170 -0.000 0.000 0.286 359 I C 0.787 176.921 176.117 0.029 0.000 1.180 359 I CA 0.361 61.736 61.300 0.126 0.000 1.404 359 I CB -0.553 37.585 38.000 0.230 0.000 1.389 359 I HN 0.294 nan 8.210 nan 0.000 0.549 360 K N 4.432 124.825 120.400 -0.011 0.000 2.230 360 K HA 0.400 4.720 4.320 -0.000 0.000 0.253 360 K C 0.288 176.807 176.600 -0.134 0.000 1.008 360 K CA -0.517 55.733 56.287 -0.061 0.000 0.910 360 K CB 0.557 33.028 32.500 -0.048 0.000 0.994 360 K HN 0.731 nan 8.250 nan 0.000 0.495 361 A N 1.020 123.743 122.820 -0.162 0.000 2.401 361 A HA 0.448 4.768 4.320 -0.000 0.000 0.259 361 A C -0.250 177.213 177.584 -0.202 0.000 1.103 361 A CA -0.284 51.619 52.037 -0.223 0.000 0.789 361 A CB 0.324 19.188 19.000 -0.227 0.000 1.035 361 A HN 0.695 nan 8.150 nan 0.000 0.491 362 A N 1.701 124.401 122.820 -0.199 0.000 2.295 362 A HA 0.681 5.001 4.320 -0.000 0.000 0.318 362 A C -0.648 176.873 177.584 -0.105 0.000 1.134 362 A CA -0.462 51.501 52.037 -0.124 0.000 0.827 362 A CB 0.265 19.203 19.000 -0.103 0.000 1.136 362 A HN 0.703 nan 8.150 nan 0.000 0.493 363 F N 2.362 122.264 119.950 -0.081 0.000 2.438 363 F HA 0.359 4.885 4.527 -0.001 0.000 0.360 363 F C -1.976 173.766 175.800 -0.096 0.000 1.118 363 F CA -2.157 55.801 58.000 -0.071 0.000 1.164 363 F CB 0.965 39.938 39.000 -0.045 0.000 1.131 363 F HN 0.244 nan 8.300 nan 0.000 0.527 364 P HA 0.118 nan 4.420 nan 0.000 0.271 364 P C -0.706 176.595 177.300 0.002 0.000 1.220 364 P CA -0.071 63.050 63.100 0.035 0.000 0.768 364 P CB 0.629 32.336 31.700 0.011 0.000 0.848 365 T N 1.889 116.373 114.554 -0.116 0.000 2.771 365 T HA 0.369 4.718 4.350 -0.000 0.000 0.281 365 T C -0.133 174.425 174.700 -0.237 0.000 0.982 365 T CA -0.323 61.635 62.100 -0.236 0.000 0.978 365 T CB 0.568 69.142 68.868 -0.490 0.000 0.930 365 T HN 0.161 nan 8.240 nan 0.000 0.447 366 S N 2.649 118.261 115.700 -0.147 0.000 2.456 366 S HA 0.702 5.171 4.470 -0.000 0.000 0.316 366 S C -0.563 173.999 174.600 -0.064 0.000 1.089 366 S CA -0.529 57.619 58.200 -0.088 0.000 1.101 366 S CB 0.452 63.623 63.200 -0.048 0.000 0.995 366 S HN 0.780 nan 8.310 nan 0.000 0.468 367 S N 3.297 118.981 115.700 -0.026 0.000 2.537 367 S HA 0.777 5.246 4.470 -0.000 0.000 0.271 367 S C -0.570 174.061 174.600 0.053 0.000 1.148 367 S CA 0.234 58.454 58.200 0.033 0.000 0.868 367 S CB 1.125 64.390 63.200 0.108 0.000 1.115 367 S HN 1.955 nan 8.310 nan 0.000 0.461 368 G N 1.173 109.995 108.800 0.037 0.000 2.781 368 G HA2 0.466 4.426 3.960 -0.000 0.000 0.468 368 G HA3 0.466 4.426 3.960 -0.000 0.000 0.468 368 G C 0.867 175.759 174.900 -0.014 0.000 1.186 368 G CA 0.393 45.514 45.100 0.034 0.000 1.220 368 G HN 2.287 nan 8.290 nan 0.000 0.564 369 G N -0.203 108.576 108.800 -0.035 0.000 2.198 369 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.257 369 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.257 369 G C 0.512 175.324 174.900 -0.146 0.000 1.042 369 G CA 0.653 45.706 45.100 -0.078 0.000 0.791 369 G HN 1.341 nan 8.290 nan 0.000 0.502 370 L N 0.034 121.162 121.223 -0.157 0.000 2.379 370 L HA 0.836 5.176 4.340 -0.000 0.000 0.269 370 L C 0.742 177.445 176.870 -0.278 0.000 1.084 370 L CA -0.864 53.829 54.840 -0.244 0.000 0.802 370 L CB 1.310 43.279 42.059 -0.149 0.000 1.175 370 L HN 0.639 nan 8.230 nan 0.000 0.448 371 H N -0.761 118.170 119.070 -0.232 0.000 2.948 371 H HA 0.322 4.878 4.556 -0.000 0.000 0.315 371 H C -2.724 172.536 175.328 -0.113 0.000 1.360 371 H CA -1.881 53.995 56.048 -0.286 0.000 1.125 371 H CB 0.422 29.822 29.762 -0.604 0.000 1.844 371 H HN 0.098 nan 8.280 nan 0.000 0.529 372 P HA -0.032 nan 4.420 nan 0.000 0.226 372 P C 1.260 178.701 177.300 0.235 0.000 1.146 372 P CA 1.980 65.171 63.100 0.150 0.000 0.773 372 P CB -0.113 31.683 31.700 0.160 0.000 0.772 373 G N 1.582 110.743 108.800 0.601 0.000 2.547 373 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.214 373 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.214 373 G C 0.969 175.953 174.900 0.140 0.000 1.254 373 G CA 0.437 45.819 45.100 0.470 0.000 0.817 373 G HN 0.345 nan 8.290 nan 0.000 0.551 374 N N 1.374 119.849 118.700 -0.375 0.000 2.375 374 N HA 0.088 4.828 4.740 -0.000 0.000 0.220 374 N C 1.411 176.814 175.510 -0.179 0.000 1.170 374 N CA 0.145 53.051 53.050 -0.241 0.000 0.833 374 N CB -0.311 37.973 38.487 -0.339 0.000 1.069 374 N HN 0.631 nan 8.380 nan 0.000 0.479 375 I N -4.981 115.514 120.570 -0.125 0.000 3.968 375 I HA 0.171 4.341 4.170 -0.000 0.000 0.328 375 I C 1.787 177.872 176.117 -0.053 0.000 1.290 375 I CA -0.123 61.122 61.300 -0.091 0.000 1.163 375 I CB 0.203 38.147 38.000 -0.093 0.000 1.024 375 I HN -0.029 nan 8.210 nan 0.000 0.413 376 Q N 2.567 122.348 119.800 -0.031 0.000 2.046 376 Q HA -0.034 4.306 4.340 -0.000 0.000 0.200 376 Q C -0.591 175.393 176.000 -0.026 0.000 0.975 376 Q CA 1.865 57.653 55.803 -0.025 0.000 0.836 376 Q CB -1.105 27.625 28.738 -0.013 0.000 0.896 376 Q HN 0.399 nan 8.270 nan 0.000 0.428 377 P HA -0.020 nan 4.420 nan 0.000 0.239 377 P C 0.984 178.271 177.300 -0.022 0.000 1.184 377 P CA 0.567 63.654 63.100 -0.022 0.000 0.760 377 P CB 0.139 31.827 31.700 -0.020 0.000 0.884 378 V N -0.734 119.163 119.914 -0.029 0.000 2.627 378 V HA -0.003 4.116 4.120 -0.000 0.000 0.239 378 V C 2.268 178.352 176.094 -0.017 0.000 1.077 378 V CA 0.699 62.984 62.300 -0.026 0.000 1.103 378 V CB -0.687 31.113 31.823 -0.038 0.000 0.802 378 V HN -0.027 nan 8.190 nan 0.000 0.482 379 I N 1.101 121.659 120.570 -0.020 0.000 2.454 379 I HA -0.195 3.975 4.170 -0.000 0.000 0.254 379 I C 2.887 178.999 176.117 -0.008 0.000 1.156 379 I CA 1.699 62.992 61.300 -0.012 0.000 1.433 379 I CB -0.771 37.217 38.000 -0.020 0.000 1.082 379 I HN 0.534 nan 8.210 nan 0.000 0.432 380 E N 1.536 121.729 120.200 -0.012 0.000 2.028 380 E HA -0.124 4.225 4.350 -0.000 0.000 0.191 380 E C 2.391 178.990 176.600 -0.001 0.000 0.988 380 E CA 1.366 57.761 56.400 -0.008 0.000 0.799 380 E CB -0.783 28.910 29.700 -0.011 0.000 0.755 380 E HN 0.563 nan 8.360 nan 0.000 0.447 381 A N -0.375 122.445 122.820 -0.000 0.000 1.902 381 A HA 0.116 4.436 4.320 -0.000 0.000 0.217 381 A C 2.215 179.806 177.584 0.012 0.000 1.181 381 A CA 1.793 53.834 52.037 0.007 0.000 0.623 381 A CB -0.098 18.906 19.000 0.006 0.000 0.818 381 A HN 0.403 nan 8.150 nan 0.000 0.443 382 L N -2.154 119.075 121.223 0.009 0.000 2.556 382 L HA 0.361 4.701 4.340 -0.000 0.000 0.226 382 L C 1.348 178.229 176.870 0.019 0.000 1.089 382 L CA 1.010 55.858 54.840 0.015 0.000 0.864 382 L CB -0.920 41.146 42.059 0.012 0.000 1.067 382 L HN 0.701 nan 8.230 nan 0.000 0.477 383 G N -0.187 108.622 108.800 0.015 0.000 2.698 383 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.225 383 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.225 383 G C 0.619 175.537 174.900 0.030 0.000 1.345 383 G CA 0.141 45.252 45.100 0.018 0.000 0.871 383 G HN 0.218 nan 8.290 nan 0.000 0.540 384 T N -3.175 111.401 114.554 0.037 0.000 3.060 384 T HA 0.303 4.653 4.350 -0.000 0.000 0.249 384 T C 0.552 175.319 174.700 0.112 0.000 1.079 384 T CA 1.213 63.346 62.100 0.055 0.000 1.013 384 T CB 0.353 69.245 68.868 0.040 0.000 0.975 384 T HN 0.385 nan 8.240 nan 0.000 0.518 385 D N 2.697 123.167 120.400 0.117 0.000 2.741 385 D HA 0.394 5.034 4.640 -0.000 0.000 0.233 385 D C 0.008 176.508 176.300 0.333 0.000 1.160 385 D CA -0.264 53.861 54.000 0.209 0.000 1.003 385 D CB -0.140 40.671 40.800 0.019 0.000 1.064 385 D HN 0.723 nan 8.370 nan 0.000 0.503 386 I N -3.007 117.768 120.570 0.342 0.000 2.994 386 I HA 0.557 4.727 4.170 -0.000 0.000 0.306 386 I C -0.764 175.327 176.117 -0.044 0.000 1.195 386 I CA -1.274 60.152 61.300 0.210 0.000 1.001 386 I CB 2.076 40.123 38.000 0.078 0.000 1.244 386 I HN -0.360 nan 8.210 nan 0.000 0.437 387 V N 4.774 124.571 119.914 -0.196 0.000 2.407 387 V HA 0.408 4.528 4.120 -0.000 0.000 0.278 387 V C 0.109 176.166 176.094 -0.062 0.000 1.037 387 V CA -0.404 61.744 62.300 -0.253 0.000 0.900 387 V CB 1.289 32.903 31.823 -0.348 0.000 0.983 387 V HN 0.478 nan 8.190 nan 0.000 0.459 388 L N 4.821 126.066 121.223 0.036 0.000 2.289 388 L HA 0.534 4.873 4.340 -0.000 0.000 0.285 388 L C 0.005 176.969 176.870 0.157 0.000 1.049 388 L CA -0.207 54.679 54.840 0.077 0.000 0.804 388 L CB 1.416 43.524 42.059 0.082 0.000 1.195 388 L HN 0.539 nan 8.230 nan 0.000 0.428 389 Q N 4.210 124.075 119.800 0.110 0.000 2.333 389 Q HA 0.444 4.784 4.340 -0.000 0.000 0.268 389 Q C -1.701 174.344 176.000 0.075 0.000 1.007 389 Q CA -0.732 55.139 55.803 0.113 0.000 0.810 389 Q CB 1.888 30.729 28.738 0.171 0.000 1.264 389 Q HN 0.443 nan 8.270 nan 0.000 0.452 390 L N 4.149 125.418 121.223 0.076 0.000 2.401 390 L HA 0.462 4.802 4.340 -0.000 0.000 0.263 390 L C 0.833 177.723 176.870 0.034 0.000 1.004 390 L CA -0.122 54.758 54.840 0.067 0.000 0.881 390 L CB 1.734 43.867 42.059 0.124 0.000 1.219 390 L HN 0.801 nan 8.230 nan 0.000 0.441 391 G N 1.417 110.223 108.800 0.010 0.000 2.648 391 G HA2 0.112 4.072 3.960 -0.000 0.000 0.217 391 G HA3 0.112 4.072 3.960 -0.000 0.000 0.217 391 G C 1.299 176.205 174.900 0.010 0.000 1.386 391 G CA 0.602 45.709 45.100 0.012 0.000 0.920 391 G HN 0.670 nan 8.290 nan 0.000 0.540 392 G N 0.843 109.641 108.800 -0.004 0.000 2.574 392 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.220 392 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.220 392 G C 1.769 176.615 174.900 -0.089 0.000 1.173 392 G CA 1.592 46.686 45.100 -0.010 0.000 0.772 392 G HN 0.867 nan 8.290 nan 0.000 0.585 393 G N -1.057 107.587 108.800 -0.261 0.000 2.615 393 G HA2 0.118 4.077 3.960 -0.000 0.000 0.213 393 G HA3 0.118 4.077 3.960 -0.000 0.000 0.213 393 G C 1.412 176.267 174.900 -0.074 0.000 1.135 393 G CA 1.743 46.556 45.100 -0.478 0.000 0.772 393 G HN 0.477 nan 8.290 nan 0.000 0.542 394 T N -0.312 114.290 114.554 0.080 0.000 3.174 394 T HA 0.113 4.462 4.350 -0.000 0.000 0.252 394 T C 1.979 176.804 174.700 0.209 0.000 0.984 394 T CA -0.179 62.031 62.100 0.183 0.000 1.113 394 T CB -0.030 68.929 68.868 0.152 0.000 1.088 394 T HN 0.022 nan 8.240 nan 0.000 0.442 395 L N 1.679 122.987 121.223 0.141 0.000 2.141 395 L HA 0.249 4.588 4.340 -0.000 0.000 0.209 395 L C 2.357 179.338 176.870 0.185 0.000 1.094 395 L CA 1.425 56.335 54.840 0.117 0.000 0.763 395 L CB -0.957 41.136 42.059 0.058 0.000 0.908 395 L HN 0.409 nan 8.230 nan 0.000 0.437 396 G N -2.412 106.565 108.800 0.294 0.000 3.314 396 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.238 396 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.238 396 G C 0.742 175.874 174.900 0.385 0.000 1.184 396 G CA -0.303 45.009 45.100 0.354 0.000 0.806 396 G HN 0.347 nan 8.290 nan 0.000 0.536 400 G N 1.350 110.196 108.800 0.076 0.000 2.712 400 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.683 400 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.683 400 G C -2.240 172.653 174.900 -0.012 0.000 1.320 400 G CA -0.497 44.616 45.100 0.021 0.000 0.847 400 G HN -0.082 nan 8.290 nan 0.000 0.553 401 P HA -0.086 nan 4.420 nan 0.000 0.214 401 P C 2.402 179.662 177.300 -0.065 0.000 1.163 401 P CA 3.211 66.302 63.100 -0.014 0.000 0.889 401 P CB -0.120 31.561 31.700 -0.032 0.000 0.790 402 A N -0.091 122.677 122.820 -0.088 0.000 1.892 402 A HA -0.222 4.097 4.320 -0.000 0.000 0.218 402 A C 2.359 179.857 177.584 -0.143 0.000 1.188 402 A CA 2.605 54.579 52.037 -0.105 0.000 0.631 402 A CB -1.713 17.230 19.000 -0.095 0.000 0.822 402 A HN 0.212 nan 8.150 nan 0.000 0.447 403 A N -0.567 122.120 122.820 -0.223 0.000 1.883 403 A HA 0.074 4.394 4.320 -0.000 0.000 0.217 403 A C 2.515 179.811 177.584 -0.479 0.000 1.186 403 A CA 2.173 53.977 52.037 -0.388 0.000 0.624 403 A CB -1.605 17.047 19.000 -0.580 0.000 0.822 403 A HN 0.877 nan 8.150 nan 0.000 0.444 404 G N -0.419 108.104 108.800 -0.462 0.000 2.529 404 G HA2 -0.119 3.840 3.960 -0.000 0.000 0.219 404 G HA3 -0.119 3.840 3.960 -0.000 0.000 0.219 404 G C 1.797 176.705 174.900 0.012 0.000 1.177 404 G CA 1.969 47.031 45.100 -0.064 0.000 0.773 404 G HN 0.915 nan 8.290 nan 0.000 0.573 405 A N 0.659 123.487 122.820 0.014 0.000 1.883 405 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 405 A C 2.463 180.042 177.584 -0.009 0.000 1.186 405 A CA 1.760 53.851 52.037 0.090 0.000 0.624 405 A CB -0.430 18.618 19.000 0.080 0.000 0.822 405 A HN 0.381 nan 8.150 nan 0.000 0.444 406 R N -0.549 119.922 120.500 -0.048 0.000 2.120 406 R HA -0.082 4.258 4.340 -0.000 0.000 0.234 406 R C 2.466 178.739 176.300 -0.045 0.000 1.123 406 R CA 1.085 57.156 56.100 -0.047 0.000 0.975 406 R CB -0.483 29.787 30.300 -0.050 0.000 0.866 406 R HN 0.543 nan 8.270 nan 0.000 0.446 407 A N 0.936 123.733 122.820 -0.038 0.000 1.835 407 A HA -0.130 4.190 4.320 -0.000 0.000 0.215 407 A C 2.380 179.932 177.584 -0.054 0.000 1.199 407 A CA 1.520 53.569 52.037 0.020 0.000 0.615 407 A CB -0.837 18.250 19.000 0.145 0.000 0.838 407 A HN 0.089 nan 8.150 nan 0.000 0.444 408 V N 0.401 120.229 119.914 -0.142 0.000 2.277 408 V HA -0.320 3.800 4.120 -0.000 0.000 0.253 408 V C 2.708 178.579 176.094 -0.372 0.000 1.067 408 V CA 2.395 64.481 62.300 -0.358 0.000 1.047 408 V CB -0.860 30.458 31.823 -0.842 0.000 0.649 408 V HN 0.472 nan 8.190 nan 0.000 0.447 409 R N -0.062 120.246 120.500 -0.320 0.000 2.189 409 R HA -0.112 4.227 4.340 -0.000 0.000 0.218 409 R C 2.368 178.590 176.300 -0.130 0.000 1.074 409 R CA 1.370 57.348 56.100 -0.203 0.000 0.991 409 R CB -0.212 30.031 30.300 -0.095 0.000 0.883 409 R HN 0.877 nan 8.270 nan 0.000 0.457 410 Q N -1.244 118.492 119.800 -0.106 0.000 2.204 410 Q HA 0.130 4.470 4.340 -0.000 0.000 0.198 410 Q C 1.853 177.767 176.000 -0.144 0.000 0.946 410 Q CA 0.882 56.632 55.803 -0.089 0.000 0.859 410 Q CB -0.141 28.554 28.738 -0.072 0.000 0.946 410 Q HN 0.079 nan 8.270 nan 0.000 0.474 411 A N 1.555 124.309 122.820 -0.110 0.000 1.972 411 A HA -0.087 4.232 4.320 -0.000 0.000 0.219 411 A C 2.081 179.554 177.584 -0.185 0.000 1.169 411 A CA 1.060 53.025 52.037 -0.120 0.000 0.635 411 A CB -0.569 18.401 19.000 -0.051 0.000 0.810 411 A HN 0.412 nan 8.150 nan 0.000 0.446 412 I N -0.551 119.907 120.570 -0.188 0.000 2.286 412 I HA -0.166 4.004 4.170 -0.000 0.000 0.245 412 I C 1.640 177.648 176.117 -0.182 0.000 1.104 412 I CA 1.161 62.361 61.300 -0.166 0.000 1.397 412 I CB -0.306 37.606 38.000 -0.147 0.000 1.072 412 I HN 0.190 nan 8.210 nan 0.000 0.417 413 D N 1.053 121.329 120.400 -0.206 0.000 2.218 413 D HA -0.133 4.506 4.640 -0.000 0.000 0.204 413 D C 2.157 178.220 176.300 -0.396 0.000 0.976 413 D CA 1.292 55.160 54.000 -0.221 0.000 0.853 413 D CB -0.009 40.699 40.800 -0.153 0.000 0.939 413 D HN 0.338 nan 8.370 nan 0.000 0.481 414 A N 0.126 122.570 122.820 -0.626 0.000 1.929 414 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 414 A C 2.289 179.644 177.584 -0.382 0.000 1.176 414 A CA 0.573 52.096 52.037 -0.857 0.000 0.628 414 A CB -0.394 18.018 19.000 -0.979 0.000 0.816 414 A HN 0.178 nan 8.150 nan 0.000 0.444 415 I N -0.646 119.774 120.570 -0.249 0.000 2.333 415 I HA -0.191 3.979 4.170 -0.000 0.000 0.246 415 I C 2.257 178.306 176.117 -0.114 0.000 1.106 415 I CA 0.823 62.038 61.300 -0.142 0.000 1.411 415 I CB -0.254 37.684 38.000 -0.103 0.000 1.082 415 I HN 0.221 nan 8.210 nan 0.000 0.420 416 M N 0.416 119.946 119.600 -0.117 0.000 2.530 416 M HA -0.216 4.264 4.480 -0.000 0.000 0.261 416 M C 2.347 178.601 176.300 -0.077 0.000 1.067 416 M CA 1.734 56.987 55.300 -0.079 0.000 1.071 416 M CB -1.190 31.369 32.600 -0.069 0.000 1.405 416 M HN 0.504 nan 8.290 nan 0.000 0.478 417 Q N -0.767 118.964 119.800 -0.115 0.000 2.378 417 Q HA 0.412 4.752 4.340 -0.000 0.000 0.216 417 Q C 1.602 177.566 176.000 -0.061 0.000 0.892 417 Q CA 1.127 56.878 55.803 -0.087 0.000 0.931 417 Q CB -0.171 28.495 28.738 -0.120 0.000 1.086 417 Q HN 0.665 nan 8.270 nan 0.000 0.528 418 G N 0.163 108.919 108.800 -0.073 0.000 2.143 418 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.249 418 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.249 418 G C 0.290 175.173 174.900 -0.029 0.000 0.981 418 G CA 0.210 45.285 45.100 -0.043 0.000 0.665 418 G HN 0.682 nan 8.290 nan 0.000 0.528 419 I N 2.199 122.742 120.570 -0.046 0.000 2.281 419 I HA 0.254 4.424 4.170 -0.000 0.000 0.293 419 I C -1.687 174.441 176.117 0.020 0.000 1.085 419 I CA -2.124 59.184 61.300 0.013 0.000 1.257 419 I CB 0.811 38.859 38.000 0.080 0.000 1.430 419 I HN -0.153 nan 8.210 nan 0.000 0.489 420 P HA -0.186 nan 4.420 nan 0.000 0.266 420 P C 1.072 178.431 177.300 0.099 0.000 1.162 420 P CA 0.418 63.544 63.100 0.045 0.000 0.758 420 P CB 0.565 32.291 31.700 0.043 0.000 0.774 421 L N 1.860 123.148 121.223 0.107 0.000 2.156 421 L HA -0.098 4.241 4.340 -0.000 0.000 0.208 421 L C 2.259 179.250 176.870 0.202 0.000 1.095 421 L CA 2.642 57.585 54.840 0.171 0.000 0.770 421 L CB -2.343 39.828 42.059 0.187 0.000 0.914 421 L HN 0.529 nan 8.230 nan 0.000 0.439 422 D N -0.461 120.050 120.400 0.184 0.000 2.178 422 D HA 0.015 4.655 4.640 -0.000 0.000 0.201 422 D C 2.093 178.469 176.300 0.126 0.000 0.980 422 D CA 2.403 56.500 54.000 0.162 0.000 0.842 422 D CB -0.289 40.593 40.800 0.135 0.000 0.948 422 D HN 0.812 nan 8.370 nan 0.000 0.472 423 E N -1.310 118.968 120.200 0.131 0.000 2.102 423 E HA 0.099 4.449 4.350 -0.000 0.000 0.190 423 E C 1.850 178.547 176.600 0.162 0.000 0.971 423 E CA 0.598 57.071 56.400 0.121 0.000 0.821 423 E CB -0.943 28.820 29.700 0.106 0.000 0.777 423 E HN 0.726 nan 8.360 nan 0.000 0.460 424 Y N 0.999 121.344 120.300 0.074 0.000 2.421 424 Y HA 0.137 4.687 4.550 -0.000 0.000 0.292 424 Y C 2.601 178.602 175.900 0.168 0.000 1.136 424 Y CA 1.067 59.233 58.100 0.110 0.000 1.255 424 Y CB -0.279 38.215 38.460 0.055 0.000 0.991 424 Y HN 0.301 nan 8.280 nan 0.000 0.552 425 A N 0.322 123.258 122.820 0.193 0.000 2.070 425 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 425 A C 2.305 179.919 177.584 0.049 0.000 1.159 425 A CA 1.892 54.007 52.037 0.130 0.000 0.656 425 A CB -1.035 18.035 19.000 0.118 0.000 0.800 425 A HN 0.440 nan 8.150 nan 0.000 0.453 426 K N -0.920 119.491 120.400 0.018 0.000 2.097 426 K HA -0.082 4.238 4.320 -0.000 0.000 0.206 426 K C 1.616 178.153 176.600 -0.105 0.000 1.049 426 K CA 2.031 58.300 56.287 -0.030 0.000 0.933 426 K CB -1.434 31.053 32.500 -0.021 0.000 0.717 426 K HN 0.449 nan 8.250 nan 0.000 0.442 427 T N 0.266 114.707 114.554 -0.188 0.000 3.206 427 T HA 0.232 4.582 4.350 -0.000 0.000 0.253 427 T C -0.864 173.335 174.700 -0.836 0.000 1.042 427 T CA -0.127 61.709 62.100 -0.441 0.000 0.931 427 T CB -0.393 68.168 68.868 -0.512 0.000 1.029 427 T HN 0.691 nan 8.240 nan 0.000 0.564 428 H N -0.741 118.223 119.070 -0.177 0.000 3.287 428 H HA 0.427 4.982 4.556 -0.000 0.000 0.330 428 H C 0.816 176.118 175.328 -0.042 0.000 1.064 428 H CA -0.535 55.444 56.048 -0.115 0.000 1.544 428 H CB 0.783 30.466 29.762 -0.131 0.000 1.918 428 H HN -0.005 nan 8.280 nan 0.000 0.477 429 K N 2.111 122.540 120.400 0.047 0.000 2.057 429 K HA -0.130 4.189 4.320 -0.000 0.000 0.206 429 K C 1.627 178.277 176.600 0.084 0.000 1.050 429 K CA 2.032 58.342 56.287 0.038 0.000 0.935 429 K CB -0.350 32.155 32.500 0.009 0.000 0.715 429 K HN 0.648 nan 8.250 nan 0.000 0.439 430 E N 0.494 120.754 120.200 0.101 0.000 2.058 430 E HA -0.080 4.270 4.350 -0.000 0.000 0.194 430 E C 2.497 179.238 176.600 0.235 0.000 0.997 430 E CA 1.803 58.294 56.400 0.151 0.000 0.801 430 E CB -0.986 28.738 29.700 0.039 0.000 0.746 430 E HN 0.460 nan 8.360 nan 0.000 0.450 431 L N 1.251 122.576 121.223 0.169 0.000 1.956 431 L HA -0.112 4.227 4.340 -0.000 0.000 0.216 431 L C 2.651 179.588 176.870 0.112 0.000 1.073 431 L CA 2.985 57.919 54.840 0.157 0.000 0.762 431 L CB -1.987 40.178 42.059 0.176 0.000 0.889 431 L HN 0.363 nan 8.230 nan 0.000 0.433 432 A N -1.337 121.534 122.820 0.085 0.000 1.883 432 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 432 A C 2.273 179.841 177.584 -0.028 0.000 1.186 432 A CA 1.467 53.521 52.037 0.028 0.000 0.624 432 A CB -0.621 18.392 19.000 0.022 0.000 0.822 432 A HN 0.644 nan 8.150 nan 0.000 0.444 433 R N -0.327 120.172 120.500 -0.002 0.000 2.395 433 R HA 0.057 4.397 4.340 -0.000 0.000 0.203 433 R C 1.546 177.654 176.300 -0.320 0.000 1.076 433 R CA 0.905 56.960 56.100 -0.075 0.000 1.059 433 R CB -0.861 29.479 30.300 0.066 0.000 0.860 433 R HN 0.614 nan 8.270 nan 0.000 0.476 434 A N -0.117 122.567 122.820 -0.227 0.000 1.993 434 A HA 0.136 4.455 4.320 -0.000 0.000 0.202 434 A C 2.061 179.498 177.584 -0.245 0.000 1.461 434 A CA -0.232 51.598 52.037 -0.345 0.000 0.824 434 A CB -0.231 18.800 19.000 0.052 0.000 1.024 434 A HN 0.132 nan 8.150 nan 0.000 0.507 435 L N 0.346 121.500 121.223 -0.116 0.000 2.010 435 L HA -0.312 4.028 4.340 -0.000 0.000 0.219 435 L C 3.069 179.810 176.870 -0.214 0.000 1.077 435 L CA 2.412 57.157 54.840 -0.159 0.000 0.773 435 L CB -1.217 40.784 42.059 -0.097 0.000 0.892 435 L HN 0.619 nan 8.230 nan 0.000 0.436 436 E N 0.799 120.874 120.200 -0.209 0.000 2.130 436 E HA -0.331 4.019 4.350 -0.000 0.000 0.196 436 E C 2.149 178.571 176.600 -0.297 0.000 0.998 436 E CA 2.093 58.367 56.400 -0.211 0.000 0.806 436 E CB -0.582 29.005 29.700 -0.188 0.000 0.738 436 E HN 0.603 nan 8.360 nan 0.000 0.459 437 K N -1.932 118.174 120.400 -0.490 0.000 2.076 437 K HA -0.052 4.267 4.320 -0.000 0.000 0.204 437 K C 1.742 177.982 176.600 -0.599 0.000 1.051 437 K CA 1.269 57.137 56.287 -0.698 0.000 0.949 437 K CB -0.027 31.734 32.500 -1.232 0.000 0.726 437 K HN 0.580 nan 8.250 nan 0.000 0.443 438 W N 0.207 121.316 121.300 -0.318 0.000 2.940 438 W HA 0.299 4.958 4.660 -0.001 0.000 0.297 438 W C 1.153 177.462 176.519 -0.350 0.000 1.149 438 W CA 0.474 57.586 57.345 -0.387 0.000 1.564 438 W CB -0.273 28.739 29.460 -0.747 0.000 1.010 438 W HN 0.438 nan 8.180 nan 0.000 0.578 439 G N 1.968 110.667 108.800 -0.168 0.000 2.596 439 G HA2 -0.328 3.631 3.960 -0.000 0.000 0.304 439 G HA3 -0.328 3.631 3.960 -0.000 0.000 0.304 439 G C 0.346 175.005 174.900 -0.402 0.000 1.189 439 G CA 1.126 46.072 45.100 -0.257 0.000 0.986 439 G HN 0.468 nan 8.290 nan 0.000 0.548 440 H N -0.566 118.613 119.070 0.182 0.000 2.665 440 H HA 0.442 4.997 4.556 -0.000 0.000 0.248 440 H C 0.601 176.064 175.328 0.225 0.000 1.175 440 H CA 0.169 56.372 56.048 0.258 0.000 0.952 440 H CB 0.130 29.978 29.762 0.143 0.000 1.883 440 H HN 0.336 nan 8.280 nan 0.000 0.623 441 V N 1.957 122.055 119.914 0.307 0.000 2.924 441 V HA -0.000 4.119 4.120 -0.000 0.000 0.305 441 V C 0.943 177.155 176.094 0.196 0.000 1.073 441 V CA 0.455 62.885 62.300 0.217 0.000 1.098 441 V CB 1.384 33.307 31.823 0.166 0.000 1.000 441 V HN 0.291 nan 8.190 nan 0.000 0.484 442 T N 5.690 120.310 114.554 0.110 0.000 2.832 442 T HA 0.308 4.658 4.350 -0.000 0.000 0.313 442 T C -2.300 172.433 174.700 0.055 0.000 1.035 442 T CA -0.785 61.351 62.100 0.060 0.000 0.950 442 T CB 0.741 69.632 68.868 0.038 0.000 0.984 442 T HN 0.564 nan 8.240 nan 0.000 0.486 443 P HA 0.269 nan 4.420 nan 0.000 0.265 443 P C -0.615 176.703 177.300 0.030 0.000 1.193 443 P CA -0.116 63.009 63.100 0.041 0.000 0.765 443 P CB 0.800 32.512 31.700 0.021 0.000 0.823 444 V N 0.000 119.934 119.914 0.034 0.000 2.409 444 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 444 V CA 0.000 62.316 62.300 0.027 0.000 1.235 444 V CB 0.000 31.840 31.823 0.028 0.000 1.184 444 V HN 0.000 nan 8.190 nan 0.000 0.556