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 2zq5_1_A DATA FIRST_RESID 7 DATA SEQUENCE RKDVATVDEL HASATKLVGL DDFGTDDDNY REALGVLLDA YQGEAGLTVL DATA SEQUENCE GSKMNRFFLR GALVARLLSQ SAWKQYPEHV DVAIKRPIFV TGLVRTGTTA DATA SEQUENCE LHRLLGADPA HQGLHMWLAE YPQPRPPRET WESNPLYRQL DADFTQHHAE DATA SEQUENCE NPGYTGLHFM AAYELEECWQ LLRQSLHSVS YEALAHVPSY ADWLSRQDWT DATA SEQUENCE PSYCRHRRNL QLIGLNDAEK RWVLKNPSHL FALDALMATY PDALVVQTHR DATA SEQUENCE PVETIMASMC SLAQHTTEGW STKFVGAQIG ADAMDTWSRG LERFNAARAK DATA SEQUENCE YDSAQFYDVD YHDLIADPLG TVADIYRHFG LTLSDEARQA MTTXXXXXXX DATA SEQUENCE XXXXXXHSYS LADYGLTVEM VKERFAGL 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 R HA 0.000 nan 4.340 nan 0.000 0.208 7 R C 0.000 176.281 176.300 -0.032 0.000 0.893 7 R CA 0.000 56.086 56.100 -0.023 0.000 0.921 7 R CB 0.000 30.290 30.300 -0.017 0.000 0.687 8 K N 0.438 120.823 120.400 -0.025 0.000 2.444 8 K HA 0.168 4.489 4.320 0.001 0.000 0.193 8 K C -0.601 175.974 176.600 -0.041 0.000 1.024 8 K CA 0.295 56.565 56.287 -0.029 0.000 1.077 8 K CB -0.064 32.432 32.500 -0.008 0.000 0.833 8 K HN 0.267 nan 8.250 nan 0.000 0.517 9 D N 0.091 120.467 120.400 -0.040 0.000 2.372 9 D HA -0.025 4.615 4.640 0.001 0.000 0.243 9 D C 1.140 177.396 176.300 -0.073 0.000 1.121 9 D CA -0.073 53.900 54.000 -0.045 0.000 0.898 9 D CB 1.472 42.250 40.800 -0.036 0.000 1.202 9 D HN -0.297 nan 8.370 nan 0.000 0.428 10 V N 1.008 120.870 119.914 -0.085 0.000 2.284 10 V HA 0.394 4.515 4.120 0.001 0.000 0.236 10 V C 0.712 176.748 176.094 -0.097 0.000 1.044 10 V CA 1.669 63.892 62.300 -0.127 0.000 1.019 10 V CB -0.793 30.933 31.823 -0.162 0.000 0.657 10 V HN 0.805 nan 8.190 nan 0.000 0.465 11 A N -0.845 121.931 122.820 -0.073 0.000 2.481 11 A HA 0.535 4.856 4.320 0.001 0.000 0.295 11 A C -0.299 177.256 177.584 -0.048 0.000 0.986 11 A CA 0.045 52.048 52.037 -0.057 0.000 0.617 11 A CB 0.136 19.100 19.000 -0.060 0.000 1.364 11 A HN 0.446 nan 8.150 nan 0.000 0.452 12 T N -1.409 113.121 114.554 -0.039 0.000 2.912 12 T HA 0.550 4.901 4.350 0.001 0.000 0.280 12 T C 1.192 175.876 174.700 -0.026 0.000 0.989 12 T CA 0.098 62.175 62.100 -0.039 0.000 0.995 12 T CB 1.002 69.848 68.868 -0.037 0.000 1.077 12 T HN 1.257 nan 8.240 nan 0.000 0.531 13 V N 1.147 121.043 119.914 -0.030 0.000 2.343 13 V HA -0.142 3.978 4.120 0.001 0.000 0.247 13 V C 2.476 178.616 176.094 0.076 0.000 1.051 13 V CA 2.042 64.350 62.300 0.014 0.000 1.036 13 V CB -0.789 31.006 31.823 -0.047 0.000 0.654 13 V HN 0.870 nan 8.190 nan 0.000 0.451 14 D N -0.124 120.265 120.400 -0.019 0.000 2.117 14 D HA -0.158 4.483 4.640 0.001 0.000 0.197 14 D C 2.225 178.542 176.300 0.028 0.000 0.987 14 D CA 1.297 55.278 54.000 -0.032 0.000 0.829 14 D CB -0.175 40.590 40.800 -0.058 0.000 0.961 14 D HN 0.569 nan 8.370 nan 0.000 0.460 15 E N 0.345 120.553 120.200 0.013 0.000 2.077 15 E HA -0.121 4.229 4.350 0.001 0.000 0.193 15 E C 2.407 179.021 176.600 0.023 0.000 0.989 15 E CA 0.446 56.853 56.400 0.013 0.000 0.800 15 E CB -0.080 29.616 29.700 -0.008 0.000 0.746 15 E HN 0.270 nan 8.360 nan 0.000 0.452 16 L N 0.084 121.318 121.223 0.019 0.000 2.046 16 L HA -0.198 4.142 4.340 0.001 0.000 0.208 16 L C 2.346 179.203 176.870 -0.021 0.000 1.077 16 L CA 1.297 56.125 54.840 -0.020 0.000 0.747 16 L CB -0.429 41.595 42.059 -0.058 0.000 0.896 16 L HN 0.175 nan 8.230 nan 0.000 0.432 17 H N -0.570 118.456 119.070 -0.073 0.000 2.353 17 H HA -0.094 4.463 4.556 0.001 0.000 0.300 17 H C 2.262 177.651 175.328 0.101 0.000 1.090 17 H CA 1.446 57.436 56.048 -0.097 0.000 1.327 17 H CB -0.176 29.364 29.762 -0.368 0.000 1.383 17 H HN 0.332 nan 8.280 nan 0.000 0.508 18 A N -0.094 122.826 122.820 0.167 0.000 1.902 18 A HA -0.194 4.126 4.320 0.001 0.000 0.217 18 A C 2.475 180.118 177.584 0.098 0.000 1.181 18 A CA 1.942 54.055 52.037 0.127 0.000 0.623 18 A CB -0.694 18.349 19.000 0.072 0.000 0.818 18 A HN 0.379 nan 8.150 nan 0.000 0.443 19 S N -0.267 115.472 115.700 0.064 0.000 2.383 19 S HA 0.013 4.484 4.470 0.001 0.000 0.227 19 S C 2.273 176.895 174.600 0.037 0.000 1.026 19 S CA 1.054 59.276 58.200 0.036 0.000 0.981 19 S CB -0.397 62.808 63.200 0.008 0.000 0.818 19 S HN 0.785 nan 8.310 nan 0.000 0.472 20 A N 1.307 124.164 122.820 0.062 0.000 1.873 20 A HA -0.099 4.222 4.320 0.001 0.000 0.215 20 A C 2.327 179.941 177.584 0.050 0.000 1.186 20 A CA 1.992 54.060 52.037 0.053 0.000 0.616 20 A CB -1.321 17.756 19.000 0.128 0.000 0.823 20 A HN 0.451 nan 8.150 nan 0.000 0.442 21 T N -0.498 114.132 114.554 0.126 0.000 2.788 21 T HA -0.119 4.231 4.350 0.001 0.000 0.268 21 T C 1.955 176.675 174.700 0.033 0.000 1.044 21 T CA 1.628 63.768 62.100 0.067 0.000 1.139 21 T CB -0.153 68.802 68.868 0.145 0.000 0.867 21 T HN 0.596 nan 8.240 nan 0.000 0.454 22 K N 0.409 120.836 120.400 0.045 0.000 2.097 22 K HA -0.059 4.262 4.320 0.001 0.000 0.206 22 K C 2.209 178.819 176.600 0.018 0.000 1.049 22 K CA 0.912 57.217 56.287 0.030 0.000 0.933 22 K CB -0.219 32.300 32.500 0.032 0.000 0.717 22 K HN 0.181 nan 8.250 nan 0.000 0.442 23 L N 0.619 121.849 121.223 0.011 0.000 2.027 23 L HA -0.111 4.230 4.340 0.001 0.000 0.206 23 L C 1.939 178.806 176.870 -0.004 0.000 1.074 23 L CA 1.568 56.411 54.840 0.005 0.000 0.745 23 L CB -0.036 42.020 42.059 -0.006 0.000 0.898 23 L HN 0.177 nan 8.230 nan 0.000 0.433 24 V N -4.294 115.602 119.914 -0.030 0.000 3.661 24 V HA 0.543 4.663 4.120 0.001 0.000 0.271 24 V C 1.511 177.581 176.094 -0.040 0.000 1.315 24 V CA 0.377 62.652 62.300 -0.042 0.000 1.072 24 V CB -0.292 31.474 31.823 -0.095 0.000 0.830 24 V HN 0.543 nan 8.190 nan 0.000 0.443 25 G N 0.979 109.757 108.800 -0.036 0.000 2.159 25 G HA2 -0.232 3.729 3.960 0.001 0.000 0.256 25 G HA3 -0.232 3.729 3.960 0.001 0.000 0.256 25 G C -0.082 174.783 174.900 -0.057 0.000 0.977 25 G CA 0.498 45.581 45.100 -0.030 0.000 0.652 25 G HN 0.578 nan 8.290 nan 0.000 0.531 26 L N 0.501 121.658 121.223 -0.109 0.000 2.343 26 L HA 0.625 4.966 4.340 0.001 0.000 0.275 26 L C 0.765 177.494 176.870 -0.235 0.000 1.056 26 L CA -0.096 54.642 54.840 -0.170 0.000 0.804 26 L CB 1.405 43.325 42.059 -0.233 0.000 1.203 26 L HN 0.289 nan 8.230 nan 0.000 0.440 27 D N -2.284 117.982 120.400 -0.223 0.000 2.539 27 D HA 0.019 4.660 4.640 0.001 0.000 0.232 27 D C -0.132 176.048 176.300 -0.200 0.000 1.256 27 D CA -0.320 53.564 54.000 -0.194 0.000 0.810 27 D CB 0.184 41.002 40.800 0.029 0.000 1.090 27 D HN 0.206 nan 8.370 nan 0.000 0.519 28 D N 0.379 120.624 120.400 -0.260 0.000 2.456 28 D HA 0.131 4.772 4.640 0.001 0.000 0.219 28 D C -0.361 175.820 176.300 -0.198 0.000 1.126 28 D CA -0.625 53.312 54.000 -0.105 0.000 0.890 28 D CB 0.068 40.839 40.800 -0.047 0.000 1.025 28 D HN 0.034 nan 8.370 nan 0.000 0.511 29 F N 2.190 122.180 119.950 0.067 0.000 2.797 29 F HA 0.274 4.802 4.527 0.001 0.000 0.302 29 F C 1.888 177.718 175.800 0.049 0.000 1.130 29 F CA 0.553 58.578 58.000 0.041 0.000 1.387 29 F CB -0.084 39.006 39.000 0.150 0.000 1.107 29 F HN 0.559 nan 8.300 nan 0.000 0.577 30 G N 0.607 109.536 108.800 0.215 0.000 2.796 30 G HA2 -0.208 3.752 3.960 0.001 0.000 0.226 30 G HA3 -0.208 3.752 3.960 0.001 0.000 0.226 30 G C 0.127 175.164 174.900 0.229 0.000 1.381 30 G CA -0.570 44.649 45.100 0.199 0.000 0.867 30 G HN 0.432 nan 8.290 nan 0.000 0.552 31 T N -2.849 111.817 114.554 0.187 0.000 2.788 31 T HA 0.473 4.824 4.350 0.001 0.000 0.287 31 T C 0.620 175.472 174.700 0.253 0.000 1.007 31 T CA 0.751 62.959 62.100 0.181 0.000 1.005 31 T CB 1.593 70.532 68.868 0.119 0.000 1.012 31 T HN 0.872 nan 8.240 nan 0.000 0.530 32 D N -0.898 119.639 120.400 0.229 0.000 2.722 32 D HA 0.166 4.807 4.640 0.001 0.000 0.239 32 D C 0.626 177.038 176.300 0.187 0.000 1.249 32 D CA -0.342 53.820 54.000 0.271 0.000 0.830 32 D CB -0.440 40.441 40.800 0.135 0.000 1.025 32 D HN 0.427 nan 8.370 nan 0.000 0.486 33 D N 0.236 120.731 120.400 0.158 0.000 2.310 33 D HA -0.119 4.522 4.640 0.001 0.000 0.212 33 D C 0.947 177.310 176.300 0.105 0.000 0.965 33 D CA 0.731 54.793 54.000 0.104 0.000 0.879 33 D CB 0.170 41.011 40.800 0.069 0.000 0.921 33 D HN 0.553 nan 8.370 nan 0.000 0.510 34 D N -0.605 119.889 120.400 0.157 0.000 2.340 34 D HA -0.054 4.587 4.640 0.001 0.000 0.217 34 D C 0.314 176.719 176.300 0.174 0.000 1.081 34 D CA -0.292 53.782 54.000 0.123 0.000 0.842 34 D CB -0.493 40.386 40.800 0.132 0.000 0.934 34 D HN -0.145 nan 8.370 nan 0.000 0.511 35 N N 0.009 118.840 118.700 0.218 0.000 2.735 35 N HA -0.310 4.431 4.740 0.001 0.000 0.248 35 N C 0.360 176.073 175.510 0.338 0.000 1.083 35 N CA 0.850 54.044 53.050 0.239 0.000 0.703 35 N CB -2.016 36.626 38.487 0.259 0.000 1.005 35 N HN 0.632 nan 8.380 nan 0.000 0.550 36 Y N -1.179 119.258 120.300 0.229 0.000 2.373 36 Y HA 0.105 4.655 4.550 0.001 0.000 0.293 36 Y C 2.060 178.031 175.900 0.117 0.000 1.129 36 Y CA 1.195 59.428 58.100 0.221 0.000 1.226 36 Y CB -0.285 38.288 38.460 0.189 0.000 1.000 36 Y HN 0.142 nan 8.280 nan 0.000 0.549 37 R N 0.645 120.698 120.500 -0.745 0.000 2.066 37 R HA -0.155 4.186 4.340 0.001 0.000 0.232 37 R C 2.354 178.478 176.300 -0.294 0.000 1.131 37 R CA 1.707 57.431 56.100 -0.626 0.000 0.955 37 R CB -0.365 29.588 30.300 -0.578 0.000 0.851 37 R HN 0.546 nan 8.270 nan 0.000 0.432 38 E N 0.553 120.643 120.200 -0.183 0.000 2.077 38 E HA -0.188 4.162 4.350 0.001 0.000 0.193 38 E C 1.933 178.295 176.600 -0.397 0.000 0.989 38 E CA 1.125 57.413 56.400 -0.186 0.000 0.800 38 E CB -0.011 29.692 29.700 0.006 0.000 0.746 38 E HN 0.348 nan 8.360 nan 0.000 0.452 39 A N 1.223 123.866 122.820 -0.295 0.000 1.883 39 A HA -0.198 4.123 4.320 0.001 0.000 0.217 39 A C 2.147 179.507 177.584 -0.374 0.000 1.186 39 A CA 1.431 53.166 52.037 -0.502 0.000 0.624 39 A CB -0.730 18.213 19.000 -0.094 0.000 0.822 39 A HN 0.380 nan 8.150 nan 0.000 0.444 40 L N 0.137 121.230 121.223 -0.216 0.000 2.046 40 L HA -0.032 4.309 4.340 0.001 0.000 0.208 40 L C 2.392 179.111 176.870 -0.251 0.000 1.077 40 L CA 2.349 57.071 54.840 -0.197 0.000 0.747 40 L CB -1.144 40.866 42.059 -0.081 0.000 0.896 40 L HN 0.308 nan 8.230 nan 0.000 0.432 41 G N -1.238 107.401 108.800 -0.268 0.000 2.418 41 G HA2 -0.191 3.770 3.960 0.001 0.000 0.217 41 G HA3 -0.191 3.770 3.960 0.001 0.000 0.217 41 G C 1.540 176.256 174.900 -0.306 0.000 1.158 41 G CA 1.025 45.974 45.100 -0.252 0.000 0.771 41 G HN 0.327 nan 8.290 nan 0.000 0.545 42 V N 0.595 120.235 119.914 -0.455 0.000 2.343 42 V HA -0.114 4.007 4.120 0.001 0.000 0.247 42 V C 2.677 178.565 176.094 -0.343 0.000 1.051 42 V CA 1.569 63.575 62.300 -0.490 0.000 1.036 42 V CB -0.375 30.865 31.823 -0.972 0.000 0.654 42 V HN 0.340 nan 8.190 nan 0.000 0.451 43 L N -0.473 120.513 121.223 -0.395 0.000 2.046 43 L HA -0.110 4.230 4.340 0.001 0.000 0.208 43 L C 2.166 178.750 176.870 -0.477 0.000 1.077 43 L CA 1.824 56.287 54.840 -0.629 0.000 0.747 43 L CB -0.520 40.983 42.059 -0.926 0.000 0.896 43 L HN 0.191 nan 8.230 nan 0.000 0.432 44 L N -0.791 120.278 121.223 -0.257 0.000 2.046 44 L HA -0.207 4.134 4.340 0.001 0.000 0.208 44 L C 2.181 178.998 176.870 -0.088 0.000 1.077 44 L CA 1.264 56.052 54.840 -0.087 0.000 0.747 44 L CB -0.732 41.275 42.059 -0.087 0.000 0.896 44 L HN 0.264 nan 8.230 nan 0.000 0.432 45 D N 0.014 120.328 120.400 -0.143 0.000 2.178 45 D HA -0.144 4.497 4.640 0.001 0.000 0.201 45 D C 2.175 178.412 176.300 -0.105 0.000 0.980 45 D CA 1.384 55.317 54.000 -0.112 0.000 0.842 45 D CB 0.014 40.736 40.800 -0.130 0.000 0.948 45 D HN 0.321 nan 8.370 nan 0.000 0.472 46 A N 0.002 122.717 122.820 -0.175 0.000 1.873 46 A HA -0.180 4.141 4.320 0.001 0.000 0.215 46 A C 1.996 179.503 177.584 -0.128 0.000 1.186 46 A CA 0.944 52.869 52.037 -0.186 0.000 0.616 46 A CB -0.956 17.875 19.000 -0.282 0.000 0.823 46 A HN 0.157 nan 8.150 nan 0.000 0.442 47 Y N 0.503 120.726 120.300 -0.128 0.000 2.097 47 Y HA -0.230 4.320 4.550 0.001 0.000 0.282 47 Y C 2.698 178.562 175.900 -0.060 0.000 1.152 47 Y CA 1.830 59.869 58.100 -0.102 0.000 1.136 47 Y CB -0.680 37.697 38.460 -0.139 0.000 0.975 47 Y HN 0.453 nan 8.280 nan 0.000 0.498 48 Q N -1.590 118.275 119.800 0.108 0.000 2.378 48 Q HA 0.027 4.368 4.340 0.001 0.000 0.205 48 Q C 2.129 178.148 176.000 0.033 0.000 0.954 48 Q CA 0.905 56.737 55.803 0.048 0.000 0.901 48 Q CB -0.097 28.649 28.738 0.014 0.000 0.981 48 Q HN 0.531 nan 8.270 nan 0.000 0.483 49 G N 0.990 109.804 108.800 0.024 0.000 2.850 49 G HA2 -0.058 3.903 3.960 0.001 0.000 0.211 49 G HA3 -0.058 3.903 3.960 0.001 0.000 0.211 49 G C 0.877 175.804 174.900 0.046 0.000 1.124 49 G CA 0.116 45.228 45.100 0.020 0.000 0.769 49 G HN 0.425 nan 8.290 nan 0.000 0.535 50 E N -1.194 119.045 120.200 0.066 0.000 2.655 50 E HA 0.315 4.665 4.350 0.001 0.000 0.212 50 E C 1.742 178.475 176.600 0.222 0.000 0.927 50 E CA 0.419 56.897 56.400 0.130 0.000 1.406 50 E CB -0.002 29.749 29.700 0.085 0.000 1.385 50 E HN 0.144 nan 8.360 nan 0.000 0.748 51 A N 1.986 124.911 122.820 0.176 0.000 2.206 51 A HA 0.319 4.640 4.320 0.001 0.000 0.211 51 A C 1.900 179.616 177.584 0.220 0.000 1.158 51 A CA 0.745 52.921 52.037 0.232 0.000 0.761 51 A CB -0.844 18.319 19.000 0.272 0.000 0.801 51 A HN 0.520 nan 8.150 nan 0.000 0.473 52 G N -0.208 108.692 108.800 0.166 0.000 2.356 52 G HA2 -0.245 3.716 3.960 0.001 0.000 0.296 52 G HA3 -0.245 3.716 3.960 0.001 0.000 0.296 52 G C 0.065 175.043 174.900 0.130 0.000 1.022 52 G CA 0.481 45.660 45.100 0.133 0.000 0.961 52 G HN 0.505 nan 8.290 nan 0.000 0.510 53 L N 0.581 121.870 121.223 0.111 0.000 2.461 53 L HA 0.371 4.711 4.340 0.001 0.000 0.272 53 L C 1.667 178.575 176.870 0.062 0.000 1.197 53 L CA 0.256 55.147 54.840 0.086 0.000 0.836 53 L CB 0.377 42.444 42.059 0.013 0.000 1.105 53 L HN 0.488 nan 8.230 nan 0.000 0.477 54 T N -1.129 113.469 114.554 0.073 0.000 2.852 54 T HA 0.250 4.601 4.350 0.001 0.000 0.281 54 T C 1.239 175.945 174.700 0.010 0.000 0.993 54 T CA -0.874 61.261 62.100 0.057 0.000 0.933 54 T CB 1.170 70.096 68.868 0.096 0.000 1.187 54 T HN 0.225 nan 8.240 nan 0.000 0.559 55 V N 0.612 120.530 119.914 0.007 0.000 2.343 55 V HA -0.085 4.036 4.120 0.001 0.000 0.247 55 V C 2.532 178.593 176.094 -0.056 0.000 1.051 55 V CA 1.815 64.100 62.300 -0.024 0.000 1.036 55 V CB -1.067 30.749 31.823 -0.011 0.000 0.654 55 V HN 0.762 nan 8.190 nan 0.000 0.451 56 L N 1.334 122.542 121.223 -0.025 0.000 2.056 56 L HA 0.022 4.363 4.340 0.001 0.000 0.207 56 L C 2.349 179.084 176.870 -0.224 0.000 1.078 56 L CA 2.451 57.254 54.840 -0.063 0.000 0.749 56 L CB -1.341 40.764 42.059 0.077 0.000 0.901 56 L HN 0.253 nan 8.230 nan 0.000 0.433 57 G N -1.102 107.614 108.800 -0.141 0.000 2.418 57 G HA2 -0.299 3.662 3.960 0.001 0.000 0.217 57 G HA3 -0.299 3.662 3.960 0.001 0.000 0.217 57 G C 1.600 176.283 174.900 -0.362 0.000 1.158 57 G CA 1.143 46.082 45.100 -0.268 0.000 0.771 57 G HN 0.598 nan 8.290 nan 0.000 0.545 58 S N 0.492 116.049 115.700 -0.239 0.000 2.383 58 S HA -0.064 4.406 4.470 0.001 0.000 0.227 58 S C 2.084 176.506 174.600 -0.296 0.000 1.026 58 S CA 1.617 59.667 58.200 -0.251 0.000 0.981 58 S CB -0.261 62.850 63.200 -0.149 0.000 0.818 58 S HN 0.472 nan 8.310 nan 0.000 0.472 59 K N 0.458 120.692 120.400 -0.276 0.000 2.057 59 K HA -0.059 4.262 4.320 0.001 0.000 0.207 59 K C 2.190 178.545 176.600 -0.409 0.000 1.049 59 K CA 1.446 57.572 56.287 -0.269 0.000 0.931 59 K CB -0.220 32.154 32.500 -0.211 0.000 0.714 59 K HN 0.258 nan 8.250 nan 0.000 0.440 60 M N 1.429 120.651 119.600 -0.629 0.000 2.086 60 M HA -0.132 4.349 4.480 0.001 0.000 0.261 60 M C 1.718 177.280 176.300 -1.230 0.000 1.067 60 M CA 1.450 56.126 55.300 -1.039 0.000 1.116 60 M CB -1.364 30.378 32.600 -1.432 0.000 1.348 60 M HN 0.205 nan 8.290 nan 0.000 0.407 61 N N 0.037 118.255 118.700 -0.803 0.000 2.309 61 N HA -0.134 4.606 4.740 0.001 0.000 0.182 61 N C 1.816 177.093 175.510 -0.388 0.000 1.018 61 N CA 0.809 53.535 53.050 -0.540 0.000 0.876 61 N CB -0.273 37.767 38.487 -0.744 0.000 0.972 61 N HN 0.414 nan 8.380 nan 0.000 0.434 62 R N 0.082 120.371 120.500 -0.352 0.000 2.081 62 R HA -0.099 4.242 4.340 0.001 0.000 0.235 62 R C 2.096 178.305 176.300 -0.151 0.000 1.131 62 R CA 0.937 56.911 56.100 -0.209 0.000 0.960 62 R CB -0.382 29.819 30.300 -0.164 0.000 0.856 62 R HN 0.101 nan 8.270 nan 0.000 0.436 63 F N 0.518 120.245 119.950 -0.372 0.000 2.102 63 F HA -0.157 4.371 4.527 0.001 0.000 0.298 63 F C 1.457 177.176 175.800 -0.135 0.000 1.105 63 F CA 1.423 59.248 58.000 -0.291 0.000 1.239 63 F CB -0.267 38.480 39.000 -0.421 0.000 0.991 63 F HN -0.047 nan 8.300 nan 0.000 0.474 64 F N 0.413 120.359 119.950 -0.006 0.000 2.134 64 F HA -0.144 4.383 4.527 0.001 0.000 0.299 64 F C 2.256 178.012 175.800 -0.074 0.000 1.097 64 F CA 1.007 58.984 58.000 -0.039 0.000 1.264 64 F CB -1.475 37.550 39.000 0.041 0.000 1.001 64 F HN -0.022 nan 8.300 nan 0.000 0.479 65 L N -0.558 120.709 121.223 0.072 0.000 2.109 65 L HA -0.125 4.216 4.340 0.001 0.000 0.207 65 L C 2.676 179.512 176.870 -0.056 0.000 1.086 65 L CA 1.103 55.945 54.840 0.003 0.000 0.760 65 L CB -0.586 41.439 42.059 -0.057 0.000 0.910 65 L HN 0.054 nan 8.230 nan 0.000 0.437 66 R N 0.542 120.974 120.500 -0.113 0.000 2.096 66 R HA -0.135 4.205 4.340 0.001 0.000 0.235 66 R C 2.230 178.433 176.300 -0.162 0.000 1.127 66 R CA 1.458 57.476 56.100 -0.135 0.000 0.968 66 R CB -0.416 29.791 30.300 -0.155 0.000 0.861 66 R HN 0.371 nan 8.270 nan 0.000 0.440 67 G N -0.029 108.632 108.800 -0.232 0.000 2.422 67 G HA2 -0.272 3.688 3.960 0.001 0.000 0.218 67 G HA3 -0.272 3.688 3.960 0.001 0.000 0.218 67 G C 1.494 176.337 174.900 -0.095 0.000 1.146 67 G CA 0.759 45.728 45.100 -0.218 0.000 0.769 67 G HN 0.477 nan 8.290 nan 0.000 0.547 68 A N 0.521 123.329 122.820 -0.020 0.000 1.902 68 A HA 0.126 4.446 4.320 0.001 0.000 0.217 68 A C 2.409 179.973 177.584 -0.033 0.000 1.181 68 A CA 1.162 53.212 52.037 0.021 0.000 0.623 68 A CB -0.344 18.721 19.000 0.109 0.000 0.818 68 A HN 0.354 nan 8.150 nan 0.000 0.443 69 L N -0.657 120.537 121.223 -0.049 0.000 2.156 69 L HA -0.106 4.235 4.340 0.001 0.000 0.208 69 L C 2.456 179.304 176.870 -0.037 0.000 1.095 69 L CA 0.687 55.508 54.840 -0.031 0.000 0.770 69 L CB -0.471 41.553 42.059 -0.058 0.000 0.914 69 L HN 0.235 nan 8.230 nan 0.000 0.439 70 V N 0.230 120.089 119.914 -0.092 0.000 2.358 70 V HA -0.257 3.864 4.120 0.001 0.000 0.246 70 V C 2.767 178.729 176.094 -0.219 0.000 1.047 70 V CA 1.761 63.969 62.300 -0.153 0.000 1.035 70 V CB -0.710 31.018 31.823 -0.159 0.000 0.658 70 V HN 0.464 nan 8.190 nan 0.000 0.452 71 A N -0.076 122.626 122.820 -0.195 0.000 1.902 71 A HA -0.259 4.061 4.320 0.001 0.000 0.217 71 A C 2.405 179.834 177.584 -0.259 0.000 1.181 71 A CA 2.041 53.937 52.037 -0.235 0.000 0.623 71 A CB -0.576 18.323 19.000 -0.170 0.000 0.818 71 A HN 0.482 nan 8.150 nan 0.000 0.443 72 R N -0.370 120.012 120.500 -0.197 0.000 2.083 72 R HA -0.097 4.243 4.340 0.001 0.000 0.237 72 R C 2.006 178.144 176.300 -0.270 0.000 1.137 72 R CA 1.670 57.649 56.100 -0.201 0.000 0.951 72 R CB -0.423 29.788 30.300 -0.148 0.000 0.851 72 R HN 0.530 nan 8.270 nan 0.000 0.434 73 L N 0.636 121.681 121.223 -0.296 0.000 2.046 73 L HA -0.209 4.132 4.340 0.001 0.000 0.208 73 L C 2.460 179.110 176.870 -0.366 0.000 1.077 73 L CA 1.169 55.776 54.840 -0.389 0.000 0.747 73 L CB -0.362 41.422 42.059 -0.458 0.000 0.896 73 L HN 0.281 nan 8.230 nan 0.000 0.432 74 L N -1.287 119.700 121.223 -0.393 0.000 2.046 74 L HA -0.196 4.145 4.340 0.001 0.000 0.208 74 L C 2.705 179.289 176.870 -0.477 0.000 1.077 74 L CA 1.048 55.624 54.840 -0.440 0.000 0.747 74 L CB -0.485 41.225 42.059 -0.583 0.000 0.896 74 L HN 0.174 nan 8.230 nan 0.000 0.432 75 S N -0.767 114.576 115.700 -0.594 0.000 2.368 75 S HA -0.237 4.233 4.470 0.001 0.000 0.224 75 S C 1.873 175.745 174.600 -1.213 0.000 1.029 75 S CA 1.226 58.818 58.200 -1.013 0.000 0.988 75 S CB -0.163 62.358 63.200 -1.131 0.000 0.838 75 S HN 0.338 nan 8.310 nan 0.000 0.462 76 Q N 1.625 121.026 119.800 -0.664 0.000 2.096 76 Q HA -0.071 4.270 4.340 0.001 0.000 0.204 76 Q C 2.247 178.182 176.000 -0.109 0.000 0.982 76 Q CA 2.069 57.767 55.803 -0.175 0.000 0.850 76 Q CB -0.846 27.858 28.738 -0.056 0.000 0.901 76 Q HN 0.416 nan 8.270 nan 0.000 0.422 77 S N -0.998 114.583 115.700 -0.198 0.000 2.368 77 S HA -0.064 4.406 4.470 0.001 0.000 0.224 77 S C 1.877 176.427 174.600 -0.084 0.000 1.029 77 S CA 1.163 59.293 58.200 -0.116 0.000 0.988 77 S CB -0.518 62.601 63.200 -0.135 0.000 0.838 77 S HN 0.549 nan 8.310 nan 0.000 0.462 78 A N 1.059 123.769 122.820 -0.185 0.000 1.933 78 A HA -0.076 4.244 4.320 0.001 0.000 0.218 78 A C 1.976 179.597 177.584 0.062 0.000 1.175 78 A CA 1.403 53.398 52.037 -0.070 0.000 0.628 78 A CB -1.007 17.851 19.000 -0.236 0.000 0.814 78 A HN 0.787 nan 8.150 nan 0.000 0.444 79 W N 0.366 121.647 121.300 -0.032 0.000 2.374 79 W HA -0.062 4.599 4.660 0.001 0.000 0.288 79 W C 2.046 178.630 176.519 0.109 0.000 1.218 79 W CA 1.277 58.593 57.345 -0.048 0.000 1.245 79 W CB -0.626 28.769 29.460 -0.109 0.000 1.126 79 W HN 0.413 nan 8.180 nan 0.000 0.545 80 K N 0.086 120.635 120.400 0.248 0.000 2.103 80 K HA -0.138 4.183 4.320 0.001 0.000 0.204 80 K C 1.972 178.603 176.600 0.052 0.000 1.052 80 K CA 1.152 57.523 56.287 0.140 0.000 0.945 80 K CB -0.328 32.217 32.500 0.075 0.000 0.722 80 K HN 0.189 nan 8.250 nan 0.000 0.443 81 Q N -0.555 119.235 119.800 -0.016 0.000 2.172 81 Q HA -0.094 4.247 4.340 0.001 0.000 0.200 81 Q C -0.069 175.629 176.000 -0.504 0.000 0.964 81 Q CA 1.089 56.725 55.803 -0.279 0.000 0.855 81 Q CB 0.239 28.764 28.738 -0.354 0.000 0.918 81 Q HN 0.319 nan 8.270 nan 0.000 0.444 82 Y N -0.331 120.059 120.300 0.150 0.000 2.562 82 Y HA 0.217 4.768 4.550 0.001 0.000 0.363 82 Y C -1.808 174.288 175.900 0.327 0.000 0.991 82 Y CA -2.237 55.978 58.100 0.192 0.000 1.121 82 Y CB 0.962 39.526 38.460 0.173 0.000 1.159 82 Y HN 0.057 nan 8.280 nan 0.000 0.651 83 P HA -0.229 nan 4.420 nan 0.000 0.221 83 P C 0.989 178.326 177.300 0.062 0.000 1.145 83 P CA 1.523 64.755 63.100 0.220 0.000 0.795 83 P CB 0.430 32.190 31.700 0.100 0.000 0.775 84 E N 1.198 121.477 120.200 0.133 0.000 2.463 84 E HA -0.217 4.133 4.350 0.001 0.000 0.201 84 E C 1.662 178.295 176.600 0.055 0.000 1.045 84 E CA 0.987 57.429 56.400 0.070 0.000 0.872 84 E CB -1.460 28.310 29.700 0.117 0.000 0.797 84 E HN 0.525 nan 8.360 nan 0.000 0.538 85 H N 1.014 120.172 119.070 0.148 0.000 2.456 85 H HA -0.070 4.487 4.556 0.001 0.000 0.296 85 H C 2.140 177.511 175.328 0.071 0.000 1.079 85 H CA 1.681 57.810 56.048 0.135 0.000 1.322 85 H CB -0.766 29.126 29.762 0.216 0.000 1.388 85 H HN 0.119 nan 8.280 nan 0.000 0.538 86 V N -1.106 118.397 119.914 -0.684 0.000 2.720 86 V HA -0.179 3.942 4.120 0.001 0.000 0.256 86 V C 1.074 177.076 176.094 -0.154 0.000 1.082 86 V CA 1.959 63.998 62.300 -0.435 0.000 1.101 86 V CB -0.261 31.299 31.823 -0.437 0.000 0.693 86 V HN 0.356 nan 8.190 nan 0.000 0.479 87 D N 0.473 120.819 120.400 -0.090 0.000 2.340 87 D HA 0.169 4.810 4.640 0.001 0.000 0.220 87 D C 0.701 177.010 176.300 0.016 0.000 1.039 87 D CA 0.280 54.263 54.000 -0.027 0.000 0.866 87 D CB 0.539 41.332 40.800 -0.012 0.000 0.913 87 D HN 0.446 nan 8.370 nan 0.000 0.523 88 V N 1.679 121.619 119.914 0.044 0.000 2.470 88 V HA 0.314 4.435 4.120 0.001 0.000 0.276 88 V C 0.580 176.725 176.094 0.085 0.000 1.040 88 V CA -0.658 61.694 62.300 0.086 0.000 1.008 88 V CB 0.910 32.818 31.823 0.141 0.000 0.990 88 V HN 0.073 nan 8.190 nan 0.000 0.477 89 A N 7.100 129.971 122.820 0.084 0.000 2.309 89 A HA 0.731 5.052 4.320 0.001 0.000 0.298 89 A C -0.387 177.273 177.584 0.126 0.000 1.165 89 A CA -0.530 51.557 52.037 0.084 0.000 0.821 89 A CB 0.374 19.410 19.000 0.060 0.000 1.102 89 A HN 0.635 nan 8.150 nan 0.000 0.500 90 I N 3.529 124.188 120.570 0.148 0.000 2.337 90 I HA 0.255 4.426 4.170 0.001 0.000 0.285 90 I C -0.341 175.870 176.117 0.156 0.000 1.041 90 I CA -0.475 60.946 61.300 0.203 0.000 1.199 90 I CB 0.809 38.972 38.000 0.272 0.000 1.370 90 I HN 0.465 nan 8.210 nan 0.000 0.470 91 K N 6.591 127.057 120.400 0.110 0.000 2.213 91 K HA 0.387 4.708 4.320 0.001 0.000 0.270 91 K C 0.295 176.903 176.600 0.014 0.000 1.002 91 K CA -0.720 55.602 56.287 0.059 0.000 0.868 91 K CB 1.289 33.812 32.500 0.039 0.000 1.093 91 K HN 0.382 nan 8.250 nan 0.000 0.454 92 R N 0.933 121.428 120.500 -0.008 0.000 3.038 92 R HA -0.168 4.173 4.340 0.001 0.000 0.242 92 R C -2.065 174.149 176.300 -0.143 0.000 0.866 92 R CA 0.077 56.126 56.100 -0.085 0.000 0.601 92 R CB -1.621 28.612 30.300 -0.112 0.000 1.107 92 R HN 0.479 nan 8.270 nan 0.000 0.492 93 P HA 0.107 nan 4.420 nan 0.000 0.274 93 P C 0.169 177.299 177.300 -0.283 0.000 1.231 93 P CA 0.058 63.035 63.100 -0.205 0.000 0.790 93 P CB 0.795 32.350 31.700 -0.241 0.000 0.951 94 I N 2.092 122.427 120.570 -0.391 0.000 2.336 94 I HA 0.306 4.477 4.170 0.001 0.000 0.292 94 I C -0.059 175.810 176.117 -0.414 0.000 0.991 94 I CA -0.599 60.498 61.300 -0.338 0.000 1.227 94 I CB 0.508 38.330 38.000 -0.298 0.000 1.366 94 I HN 0.173 nan 8.210 nan 0.000 0.466 95 F N 5.527 125.323 119.950 -0.256 0.000 2.449 95 F HA 0.458 4.986 4.527 0.001 0.000 0.342 95 F C -0.074 175.661 175.800 -0.108 0.000 1.127 95 F CA -0.761 57.089 58.000 -0.250 0.000 0.975 95 F CB 1.770 40.516 39.000 -0.424 0.000 1.146 95 F HN 0.021 nan 8.300 nan 0.000 0.444 96 V N 2.710 122.668 119.914 0.074 0.000 2.472 96 V HA 0.698 4.819 4.120 0.001 0.000 0.290 96 V C -0.041 176.121 176.094 0.112 0.000 1.037 96 V CA -0.279 62.068 62.300 0.077 0.000 0.908 96 V CB 1.797 33.634 31.823 0.023 0.000 0.985 96 V HN 0.841 nan 8.190 nan 0.000 0.454 97 T N 2.087 116.663 114.554 0.038 0.000 2.792 97 T HA 0.843 5.194 4.350 0.001 0.000 0.303 97 T C -0.470 174.133 174.700 -0.162 0.000 1.310 97 T CA 0.338 62.422 62.100 -0.028 0.000 1.007 97 T CB 1.820 70.674 68.868 -0.024 0.000 1.335 97 T HN 1.537 nan 8.240 nan 0.000 0.504 98 G N 1.115 109.803 108.800 -0.187 0.000 2.368 98 G HA2 0.381 4.342 3.960 0.001 0.000 0.302 98 G HA3 0.381 4.342 3.960 0.001 0.000 0.302 98 G C -2.110 172.648 174.900 -0.237 0.000 1.329 98 G CA -0.883 44.072 45.100 -0.242 0.000 0.935 98 G HN 0.755 nan 8.290 nan 0.000 0.590 99 L N 0.109 121.147 121.223 -0.308 0.000 2.472 99 L HA 0.569 4.909 4.340 0.001 0.000 0.260 99 L C 1.506 178.124 176.870 -0.420 0.000 1.209 99 L CA -0.203 54.332 54.840 -0.508 0.000 0.817 99 L CB 1.242 42.977 42.059 -0.540 0.000 1.106 99 L HN 0.753 nan 8.230 nan 0.000 0.479 100 V N 3.528 123.139 119.914 -0.506 0.000 2.963 100 V HA 0.175 4.296 4.120 0.001 0.000 0.306 100 V C 0.591 176.501 176.094 -0.306 0.000 1.077 100 V CA -0.244 61.864 62.300 -0.320 0.000 1.124 100 V CB 0.208 31.854 31.823 -0.294 0.000 0.987 100 V HN 0.808 nan 8.190 nan 0.000 0.487 101 R N 2.236 122.602 120.500 -0.224 0.000 3.908 101 R HA -0.126 4.214 4.340 0.001 0.000 0.381 101 R C 0.868 176.935 176.300 -0.388 0.000 1.135 101 R CA 1.217 57.162 56.100 -0.259 0.000 0.990 101 R CB -3.057 27.081 30.300 -0.271 0.000 1.557 101 R HN 1.150 nan 8.270 nan 0.000 0.535 102 T N -4.460 109.927 114.554 -0.280 0.000 3.084 102 T HA 0.438 4.788 4.350 0.001 0.000 0.270 102 T C 1.128 175.872 174.700 0.073 0.000 1.008 102 T CA 0.919 62.866 62.100 -0.255 0.000 0.900 102 T CB 1.229 69.982 68.868 -0.192 0.000 1.084 102 T HN 0.787 nan 8.240 nan 0.000 0.538 103 G N 1.578 110.463 108.800 0.142 0.000 2.159 103 G HA2 -0.330 3.630 3.960 0.001 0.000 0.227 103 G HA3 -0.330 3.630 3.960 0.001 0.000 0.227 103 G C 1.029 176.010 174.900 0.135 0.000 0.986 103 G CA 0.790 46.047 45.100 0.261 0.000 0.651 103 G HN 0.912 nan 8.290 nan 0.000 0.523 104 T N -2.389 112.206 114.554 0.069 0.000 2.788 104 T HA -0.098 4.253 4.350 0.001 0.000 0.268 104 T C 2.224 176.995 174.700 0.119 0.000 1.044 104 T CA 2.600 64.737 62.100 0.062 0.000 1.139 104 T CB -0.606 68.266 68.868 0.007 0.000 0.867 104 T HN 0.308 nan 8.240 nan 0.000 0.454 105 T N 2.131 116.760 114.554 0.124 0.000 2.708 105 T HA 0.127 4.478 4.350 0.001 0.000 0.266 105 T C 2.505 177.298 174.700 0.156 0.000 1.037 105 T CA 1.265 63.464 62.100 0.165 0.000 1.146 105 T CB -0.852 68.094 68.868 0.130 0.000 0.865 105 T HN 0.607 nan 8.240 nan 0.000 0.435 106 A N 1.529 124.427 122.820 0.130 0.000 1.902 106 A HA -0.011 4.310 4.320 0.001 0.000 0.217 106 A C 2.266 179.916 177.584 0.111 0.000 1.181 106 A CA 1.047 53.147 52.037 0.106 0.000 0.623 106 A CB -0.765 18.290 19.000 0.093 0.000 0.818 106 A HN 0.347 nan 8.150 nan 0.000 0.443 107 L N -0.646 120.654 121.223 0.128 0.000 2.056 107 L HA -0.162 4.179 4.340 0.001 0.000 0.207 107 L C 2.301 179.280 176.870 0.183 0.000 1.078 107 L CA 2.431 57.351 54.840 0.135 0.000 0.749 107 L CB -1.480 40.654 42.059 0.125 0.000 0.901 107 L HN 0.712 nan 8.230 nan 0.000 0.433 108 H N -0.117 118.994 119.070 0.068 0.000 2.319 108 H HA -0.185 4.371 4.556 0.001 0.000 0.299 108 H C 2.339 177.703 175.328 0.060 0.000 1.092 108 H CA 1.670 57.753 56.048 0.059 0.000 1.302 108 H CB 0.329 30.123 29.762 0.054 0.000 1.373 108 H HN 0.250 nan 8.280 nan 0.000 0.497 109 R N 0.054 120.586 120.500 0.054 0.000 2.092 109 R HA -0.093 4.247 4.340 0.001 0.000 0.231 109 R C 2.667 178.986 176.300 0.033 0.000 1.119 109 R CA 1.123 57.209 56.100 -0.023 0.000 0.970 109 R CB -0.086 30.220 30.300 0.010 0.000 0.864 109 R HN 0.337 nan 8.270 nan 0.000 0.440 110 L N 0.488 121.754 121.223 0.072 0.000 1.988 110 L HA -0.176 4.164 4.340 0.001 0.000 0.207 110 L C 2.356 179.294 176.870 0.113 0.000 1.071 110 L CA 1.314 56.198 54.840 0.074 0.000 0.744 110 L CB -0.443 41.661 42.059 0.075 0.000 0.893 110 L HN 0.171 nan 8.230 nan 0.000 0.433 111 L N -0.497 120.828 121.223 0.171 0.000 2.131 111 L HA -0.129 4.212 4.340 0.001 0.000 0.210 111 L C 2.420 179.454 176.870 0.273 0.000 1.092 111 L CA 1.199 56.198 54.840 0.265 0.000 0.759 111 L CB -1.009 41.191 42.059 0.236 0.000 0.903 111 L HN 0.355 nan 8.230 nan 0.000 0.435 112 G N -0.866 108.027 108.800 0.156 0.000 2.744 112 G HA2 0.037 3.997 3.960 0.001 0.000 0.211 112 G HA3 0.037 3.997 3.960 0.001 0.000 0.211 112 G C 1.610 176.544 174.900 0.057 0.000 1.143 112 G CA 0.584 45.738 45.100 0.090 0.000 0.788 112 G HN 0.427 nan 8.290 nan 0.000 0.534 113 A N 0.109 122.959 122.820 0.050 0.000 2.072 113 A HA 0.122 4.443 4.320 0.001 0.000 0.216 113 A C 1.183 178.754 177.584 -0.022 0.000 1.156 113 A CA 0.219 52.264 52.037 0.012 0.000 0.701 113 A CB -0.101 18.901 19.000 0.005 0.000 0.816 113 A HN 0.271 nan 8.150 nan 0.000 0.458 114 D N 0.284 120.659 120.400 -0.041 0.000 2.472 114 D HA 0.079 4.720 4.640 0.001 0.000 0.248 114 D C -1.730 174.495 176.300 -0.125 0.000 1.174 114 D CA -1.439 52.461 54.000 -0.166 0.000 0.883 114 D CB 1.041 41.546 40.800 -0.491 0.000 1.149 114 D HN 0.029 nan 8.370 nan 0.000 0.488 115 P HA -0.066 nan 4.420 nan 0.000 0.221 115 P C 0.468 177.731 177.300 -0.062 0.000 1.145 115 P CA 0.972 64.027 63.100 -0.074 0.000 0.795 115 P CB 0.259 31.914 31.700 -0.074 0.000 0.775 116 A N -2.278 120.493 122.820 -0.083 0.000 2.275 116 A HA 0.052 4.373 4.320 0.001 0.000 0.212 116 A C 0.587 178.242 177.584 0.118 0.000 1.201 116 A CA 0.295 52.322 52.037 -0.016 0.000 0.843 116 A CB -0.863 18.127 19.000 -0.017 0.000 0.873 116 A HN 0.255 nan 8.150 nan 0.000 0.492 117 H N -0.717 118.316 119.070 -0.060 0.000 2.737 117 H HA 0.560 5.117 4.556 0.001 0.000 0.358 117 H C -0.475 174.745 175.328 -0.179 0.000 1.187 117 H CA -0.955 55.028 56.048 -0.108 0.000 1.221 117 H CB 1.174 30.902 29.762 -0.056 0.000 1.799 117 H HN 0.455 nan 8.280 nan 0.000 0.568 118 Q N 0.632 120.318 119.800 -0.190 0.000 2.345 118 Q HA 0.614 4.955 4.340 0.001 0.000 0.275 118 Q C -1.338 174.380 176.000 -0.469 0.000 1.063 118 Q CA -1.299 54.269 55.803 -0.393 0.000 0.819 118 Q CB 2.776 31.093 28.738 -0.703 0.000 1.356 118 Q HN 0.737 nan 8.270 nan 0.000 0.418 119 G N 0.875 109.435 108.800 -0.400 0.000 2.685 119 G HA2 0.524 4.484 3.960 0.001 0.000 0.298 119 G HA3 0.524 4.484 3.960 0.001 0.000 0.298 119 G C -1.494 173.253 174.900 -0.255 0.000 1.277 119 G CA -1.047 43.914 45.100 -0.231 0.000 0.986 119 G HN 0.524 nan 8.290 nan 0.000 0.487 120 L N 2.248 123.510 121.223 0.064 0.000 2.404 120 L HA 0.275 4.616 4.340 0.001 0.000 0.277 120 L C 0.265 177.073 176.870 -0.102 0.000 1.184 120 L CA -0.764 54.122 54.840 0.077 0.000 1.013 120 L CB -1.225 40.888 42.059 0.091 0.000 1.318 120 L HN 0.420 nan 8.230 nan 0.000 0.435 121 H N 4.180 123.287 119.070 0.062 0.000 3.001 121 H HA -0.066 4.491 4.556 0.001 0.000 0.334 121 H C 1.263 176.581 175.328 -0.016 0.000 1.034 121 H CA 0.033 56.127 56.048 0.078 0.000 1.420 121 H CB 0.830 30.685 29.762 0.155 0.000 1.405 121 H HN 0.605 nan 8.280 nan 0.000 0.593 122 M N 4.158 123.837 119.600 0.133 0.000 2.113 122 M HA -0.213 4.268 4.480 0.001 0.000 0.255 122 M C 2.153 178.494 176.300 0.069 0.000 1.073 122 M CA 1.990 57.312 55.300 0.036 0.000 1.091 122 M CB -0.771 31.825 32.600 -0.007 0.000 1.309 122 M HN 0.864 nan 8.290 nan 0.000 0.407 123 W N 0.760 122.021 121.300 -0.065 0.000 2.392 123 W HA -0.139 4.522 4.660 0.001 0.000 0.279 123 W C 1.657 178.141 176.519 -0.059 0.000 1.225 123 W CA 0.588 57.883 57.345 -0.084 0.000 1.233 123 W CB -1.642 27.741 29.460 -0.128 0.000 1.122 123 W HN 0.275 nan 8.180 nan 0.000 0.561 124 L N 1.277 122.145 121.223 -0.593 0.000 2.270 124 L HA 0.055 4.396 4.340 0.001 0.000 0.210 124 L C 2.971 179.673 176.870 -0.280 0.000 1.104 124 L CA 1.078 55.549 54.840 -0.615 0.000 0.804 124 L CB -0.983 40.685 42.059 -0.652 0.000 0.937 124 L HN -0.042 nan 8.230 nan 0.000 0.450 125 A N -0.373 122.325 122.820 -0.202 0.000 1.968 125 A HA -0.107 4.214 4.320 0.001 0.000 0.217 125 A C 2.181 179.662 177.584 -0.173 0.000 1.169 125 A CA 0.989 52.907 52.037 -0.198 0.000 0.638 125 A CB -0.136 18.728 19.000 -0.227 0.000 0.812 125 A HN 0.272 nan 8.150 nan 0.000 0.446 126 E N -2.033 118.108 120.200 -0.099 0.000 2.158 126 E HA -0.033 4.318 4.350 0.001 0.000 0.191 126 E C -0.439 176.155 176.600 -0.011 0.000 0.982 126 E CA 0.714 57.092 56.400 -0.037 0.000 0.823 126 E CB 0.032 29.768 29.700 0.059 0.000 0.766 126 E HN 0.705 nan 8.360 nan 0.000 0.468 127 Y N 0.614 120.830 120.300 -0.141 0.000 2.592 127 Y HA 0.244 4.795 4.550 0.001 0.000 0.354 127 Y C -2.546 173.205 175.900 -0.249 0.000 1.063 127 Y CA -2.589 55.421 58.100 -0.149 0.000 1.205 127 Y CB 1.358 39.786 38.460 -0.053 0.000 1.106 127 Y HN -0.140 nan 8.280 nan 0.000 0.649 128 P HA -0.048 nan 4.420 nan 0.000 0.260 128 P C -1.187 176.023 177.300 -0.151 0.000 1.172 128 P CA 0.890 63.860 63.100 -0.217 0.000 0.760 128 P CB 0.385 31.883 31.700 -0.337 0.000 0.773 129 Q N 2.139 121.821 119.800 -0.197 0.000 2.848 129 Q HA 0.420 4.761 4.340 0.001 0.000 0.288 129 Q C -3.322 172.518 176.000 -0.266 0.000 0.907 129 Q CA -2.230 53.461 55.803 -0.187 0.000 0.792 129 Q CB 0.356 29.030 28.738 -0.107 0.000 1.534 129 Q HN 0.021 nan 8.270 nan 0.000 0.419 130 P HA 0.052 nan 4.420 nan 0.000 0.267 130 P C -1.013 176.166 177.300 -0.202 0.000 1.205 130 P CA -0.131 62.790 63.100 -0.298 0.000 0.765 130 P CB 0.467 31.866 31.700 -0.501 0.000 0.828 131 R N 5.501 125.933 120.500 -0.113 0.000 2.404 131 R HA 0.139 4.479 4.340 0.001 0.000 0.315 131 R C -2.218 174.146 176.300 0.107 0.000 1.032 131 R CA -1.250 54.830 56.100 -0.033 0.000 0.992 131 R CB -0.298 30.049 30.300 0.077 0.000 0.959 131 R HN 0.355 nan 8.270 nan 0.000 0.428 132 P HA 0.195 nan 4.420 nan 0.000 0.274 132 P C -2.556 174.968 177.300 0.372 0.000 1.246 132 P CA -1.467 61.805 63.100 0.286 0.000 0.795 132 P CB 0.254 32.161 31.700 0.344 0.000 1.006 133 P HA 0.058 nan 4.420 nan 0.000 0.265 133 P C 0.814 178.037 177.300 -0.128 0.000 1.193 133 P CA 0.072 63.188 63.100 0.026 0.000 0.765 133 P CB 0.428 32.123 31.700 -0.008 0.000 0.823 134 R N 4.748 124.985 120.500 -0.438 0.000 2.119 134 R HA -0.225 4.116 4.340 0.001 0.000 0.246 134 R C 1.834 177.642 176.300 -0.819 0.000 1.146 134 R CA 2.066 57.514 56.100 -1.086 0.000 0.962 134 R CB -0.876 28.907 30.300 -0.860 0.000 0.863 134 R HN 0.541 nan 8.270 nan 0.000 0.442 135 E N -0.430 119.520 120.200 -0.418 0.000 2.401 135 E HA -0.136 4.215 4.350 0.001 0.000 0.199 135 E C 1.033 177.523 176.600 -0.184 0.000 1.023 135 E CA 1.634 57.869 56.400 -0.275 0.000 0.859 135 E CB -0.426 29.167 29.700 -0.178 0.000 0.780 135 E HN 0.574 nan 8.360 nan 0.000 0.523 136 T N -3.975 110.505 114.554 -0.123 0.000 3.044 136 T HA 0.032 4.383 4.350 0.001 0.000 0.250 136 T C 1.233 175.973 174.700 0.067 0.000 1.081 136 T CA -0.245 61.858 62.100 0.005 0.000 1.040 136 T CB -0.427 68.488 68.868 0.079 0.000 0.962 136 T HN 0.054 nan 8.240 nan 0.000 0.506 137 W N 2.616 123.713 121.300 -0.339 0.000 2.318 137 W HA 0.056 4.716 4.660 0.001 0.000 0.313 137 W C 2.045 178.225 176.519 -0.566 0.000 1.221 137 W CA 0.486 57.422 57.345 -0.682 0.000 1.266 137 W CB -0.894 27.839 29.460 -1.212 0.000 1.150 137 W HN 0.306 nan 8.180 nan 0.000 0.496 138 E N -0.377 119.742 120.200 -0.135 0.000 2.463 138 E HA -0.080 4.271 4.350 0.001 0.000 0.201 138 E C 1.573 178.189 176.600 0.027 0.000 1.045 138 E CA 0.942 57.346 56.400 0.005 0.000 0.872 138 E CB -0.318 29.377 29.700 -0.008 0.000 0.797 138 E HN 0.186 nan 8.360 nan 0.000 0.538 139 S N 0.323 116.024 115.700 0.002 0.000 2.559 139 S HA 0.036 4.507 4.470 0.001 0.000 0.226 139 S C 0.556 175.163 174.600 0.012 0.000 1.000 139 S CA -0.532 57.674 58.200 0.009 0.000 0.948 139 S CB 0.382 63.584 63.200 0.003 0.000 0.870 139 S HN 0.168 nan 8.310 nan 0.000 0.497 140 N N 2.634 121.334 118.700 0.000 0.000 2.430 140 N HA 0.159 4.900 4.740 0.001 0.000 0.265 140 N C -2.285 173.213 175.510 -0.021 0.000 1.100 140 N CA -1.662 51.381 53.050 -0.012 0.000 0.961 140 N CB 1.521 39.969 38.487 -0.066 0.000 1.075 140 N HN -0.109 nan 8.380 nan 0.000 0.478 141 P HA -0.149 nan 4.420 nan 0.000 0.215 141 P C 1.515 178.785 177.300 -0.049 0.000 1.163 141 P CA 1.319 64.407 63.100 -0.021 0.000 0.894 141 P CB 0.322 32.015 31.700 -0.012 0.000 0.791 142 L N -3.018 118.163 121.223 -0.071 0.000 2.056 142 L HA -0.186 4.155 4.340 0.001 0.000 0.207 142 L C 2.605 179.409 176.870 -0.110 0.000 1.078 142 L CA 1.440 56.217 54.840 -0.105 0.000 0.749 142 L CB -0.993 40.939 42.059 -0.210 0.000 0.901 142 L HN -0.023 nan 8.230 nan 0.000 0.433 143 Y N 1.189 121.218 120.300 -0.451 0.000 2.145 143 Y HA -0.254 4.297 4.550 0.001 0.000 0.286 143 Y C 2.793 178.461 175.900 -0.386 0.000 1.145 143 Y CA 1.551 59.150 58.100 -0.834 0.000 1.148 143 Y CB -0.154 37.462 38.460 -1.406 0.000 0.981 143 Y HN -0.041 nan 8.280 nan 0.000 0.507 144 R N -0.028 120.375 120.500 -0.161 0.000 2.105 144 R HA -0.235 4.106 4.340 0.001 0.000 0.239 144 R C 2.429 178.648 176.300 -0.134 0.000 1.135 144 R CA 1.756 57.786 56.100 -0.118 0.000 0.967 144 R CB -0.488 29.807 30.300 -0.009 0.000 0.861 144 R HN 0.520 nan 8.270 nan 0.000 0.442 145 Q N 1.037 120.777 119.800 -0.100 0.000 2.030 145 Q HA -0.176 4.165 4.340 0.001 0.000 0.204 145 Q C 2.080 178.052 176.000 -0.046 0.000 0.986 145 Q CA 1.531 57.307 55.803 -0.046 0.000 0.843 145 Q CB -0.050 28.678 28.738 -0.015 0.000 0.904 145 Q HN 0.351 nan 8.270 nan 0.000 0.420 146 L N 0.362 121.533 121.223 -0.086 0.000 2.056 146 L HA -0.161 4.179 4.340 0.001 0.000 0.207 146 L C 2.235 179.043 176.870 -0.103 0.000 1.078 146 L CA 1.325 56.137 54.840 -0.047 0.000 0.749 146 L CB -0.437 41.613 42.059 -0.015 0.000 0.901 146 L HN 0.349 nan 8.230 nan 0.000 0.433 147 D N 0.131 120.346 120.400 -0.309 0.000 2.178 147 D HA -0.178 4.463 4.640 0.001 0.000 0.201 147 D C 2.114 178.400 176.300 -0.023 0.000 0.980 147 D CA 1.252 55.100 54.000 -0.253 0.000 0.842 147 D CB 0.216 40.725 40.800 -0.485 0.000 0.948 147 D HN 0.264 nan 8.370 nan 0.000 0.472 148 A N 0.131 122.928 122.820 -0.038 0.000 1.898 148 A HA -0.133 4.188 4.320 0.001 0.000 0.216 148 A C 1.921 179.518 177.584 0.022 0.000 1.181 148 A CA 1.811 53.849 52.037 0.002 0.000 0.620 148 A CB -0.630 18.366 19.000 -0.006 0.000 0.819 148 A HN 0.201 nan 8.150 nan 0.000 0.442 149 D N -1.061 119.363 120.400 0.041 0.000 2.104 149 D HA -0.145 4.496 4.640 0.001 0.000 0.194 149 D C 1.550 177.870 176.300 0.032 0.000 0.994 149 D CA 1.563 55.593 54.000 0.049 0.000 0.830 149 D CB -0.300 40.561 40.800 0.101 0.000 0.959 149 D HN 0.459 nan 8.370 nan 0.000 0.452 150 F N 1.527 121.447 119.950 -0.051 0.000 2.026 150 F HA -0.234 4.294 4.527 0.001 0.000 0.296 150 F C 2.300 178.102 175.800 0.004 0.000 1.133 150 F CA 1.615 59.586 58.000 -0.049 0.000 1.188 150 F CB -0.962 38.026 39.000 -0.021 0.000 0.968 150 F HN -0.127 nan 8.300 nan 0.000 0.476 151 T N 0.234 114.694 114.554 -0.156 0.000 2.760 151 T HA -0.314 4.037 4.350 0.001 0.000 0.269 151 T C 1.660 176.273 174.700 -0.145 0.000 1.047 151 T CA 1.753 63.734 62.100 -0.199 0.000 1.139 151 T CB -0.406 68.461 68.868 -0.002 0.000 0.855 151 T HN 0.345 nan 8.240 nan 0.000 0.471 152 Q N 0.801 120.538 119.800 -0.104 0.000 1.941 152 Q HA -0.140 4.201 4.340 0.001 0.000 0.201 152 Q C 2.146 178.067 176.000 -0.132 0.000 0.982 152 Q CA 1.647 57.395 55.803 -0.093 0.000 0.839 152 Q CB -0.824 27.879 28.738 -0.059 0.000 0.904 152 Q HN 0.591 nan 8.270 nan 0.000 0.427 153 H N -0.782 118.125 119.070 -0.272 0.000 2.460 153 H HA -0.180 4.377 4.556 0.001 0.000 0.297 153 H C 1.931 177.100 175.328 -0.264 0.000 1.103 153 H CA 2.046 57.893 56.048 -0.334 0.000 1.292 153 H CB -0.056 29.295 29.762 -0.686 0.000 1.376 153 H HN 0.550 nan 8.280 nan 0.000 0.531 154 H N 0.197 119.115 119.070 -0.253 0.000 2.326 154 H HA 0.015 4.572 4.556 0.001 0.000 0.301 154 H C 2.271 177.498 175.328 -0.168 0.000 1.081 154 H CA 2.174 58.065 56.048 -0.262 0.000 1.334 154 H CB -0.438 28.953 29.762 -0.618 0.000 1.385 154 H HN 0.339 nan 8.280 nan 0.000 0.504 155 A N 1.197 123.846 122.820 -0.285 0.000 1.978 155 A HA -0.174 4.147 4.320 0.001 0.000 0.220 155 A C 2.206 179.648 177.584 -0.237 0.000 1.170 155 A CA 1.662 53.535 52.037 -0.272 0.000 0.636 155 A CB -0.334 18.581 19.000 -0.142 0.000 0.810 155 A HN 0.557 nan 8.150 nan 0.000 0.448 156 E N 1.154 121.218 120.200 -0.228 0.000 2.005 156 E HA -0.173 4.177 4.350 0.001 0.000 0.198 156 E C 0.485 176.972 176.600 -0.187 0.000 1.010 156 E CA 1.488 57.757 56.400 -0.218 0.000 0.825 156 E CB -0.661 28.846 29.700 -0.321 0.000 0.769 156 E HN 0.986 nan 8.360 nan 0.000 0.456 157 N N 0.802 119.390 118.700 -0.187 0.000 2.531 157 N HA 0.320 5.061 4.740 0.001 0.000 0.268 157 N C -2.921 172.558 175.510 -0.052 0.000 1.023 157 N CA -1.755 51.242 53.050 -0.087 0.000 0.896 157 N CB 1.771 40.246 38.487 -0.020 0.000 1.233 157 N HN -0.292 nan 8.380 nan 0.000 0.512 158 P HA 0.032 nan 4.420 nan 0.000 0.248 158 P C 0.973 178.326 177.300 0.089 0.000 1.550 158 P CA 0.960 64.000 63.100 -0.099 0.000 1.252 158 P CB -0.235 31.395 31.700 -0.117 0.000 1.869 159 G N 2.140 111.073 108.800 0.221 0.000 2.791 159 G HA2 -0.237 3.724 3.960 0.001 0.000 0.256 159 G HA3 -0.237 3.724 3.960 0.001 0.000 0.256 159 G C -0.839 174.297 174.900 0.394 0.000 1.380 159 G CA -0.642 44.668 45.100 0.350 0.000 0.904 159 G HN 0.359 nan 8.290 nan 0.000 0.563 160 Y N -2.336 118.023 120.300 0.098 0.000 2.518 160 Y HA -0.131 4.419 4.550 0.001 0.000 0.022 160 Y C 1.340 177.283 175.900 0.071 0.000 1.713 160 Y CA 1.649 59.768 58.100 0.032 0.000 1.411 160 Y CB -1.220 37.227 38.460 -0.022 0.000 2.057 160 Y HN 2.218 nan 8.280 nan 0.000 0.256 161 T N 1.003 115.626 114.554 0.115 0.000 2.851 161 T HA 0.324 4.674 4.350 0.001 0.000 0.470 161 T C 0.406 175.179 174.700 0.122 0.000 0.782 161 T CA 1.791 63.964 62.100 0.122 0.000 2.467 161 T CB -1.544 67.417 68.868 0.155 0.000 1.668 161 T HN 2.341 nan 8.240 nan 0.000 0.572 162 G N 0.744 109.569 108.800 0.041 0.000 2.352 162 G HA2 0.106 4.067 3.960 0.001 0.000 0.324 162 G HA3 0.106 4.067 3.960 0.001 0.000 0.324 162 G C -0.279 174.750 174.900 0.214 0.000 1.249 162 G CA -0.649 44.516 45.100 0.108 0.000 1.053 162 G HN 0.723 nan 8.290 nan 0.000 0.492 163 L N 1.409 122.914 121.223 0.470 0.000 2.356 163 L HA 0.372 4.713 4.340 0.001 0.000 0.241 163 L C 0.866 178.066 176.870 0.548 0.000 1.242 163 L CA 0.476 55.631 54.840 0.525 0.000 0.820 163 L CB 0.078 42.429 42.059 0.486 0.000 1.124 163 L HN 0.988 nan 8.230 nan 0.000 0.584 164 H N -1.309 117.855 119.070 0.158 0.000 3.137 164 H HA 0.335 4.891 4.556 0.001 0.000 0.336 164 H C -1.467 173.950 175.328 0.148 0.000 1.055 164 H CA -0.937 55.260 56.048 0.250 0.000 1.349 164 H CB 0.106 29.970 29.762 0.170 0.000 1.939 164 H HN 0.147 nan 8.280 nan 0.000 0.487 165 F N 1.864 121.908 119.950 0.155 0.000 2.410 165 F HA 0.593 5.120 4.527 0.001 0.000 0.324 165 F C 0.817 176.731 175.800 0.190 0.000 1.093 165 F CA -1.086 57.005 58.000 0.151 0.000 1.028 165 F CB 1.428 40.585 39.000 0.261 0.000 1.309 165 F HN 0.531 nan 8.300 nan 0.000 0.499 166 M N 0.775 120.463 119.600 0.148 0.000 2.591 166 M HA 0.740 5.221 4.480 0.001 0.000 0.306 166 M C -1.057 174.712 176.300 -0.885 0.000 1.190 166 M CA -0.908 54.262 55.300 -0.217 0.000 0.889 166 M CB 1.933 34.458 32.600 -0.125 0.000 1.728 166 M HN 0.667 nan 8.290 nan 0.000 0.458 167 A N 2.105 124.227 122.820 -1.163 0.000 2.498 167 A HA 0.467 4.788 4.320 0.001 0.000 0.239 167 A C 1.038 178.130 177.584 -0.820 0.000 1.068 167 A CA 0.517 51.697 52.037 -1.429 0.000 0.766 167 A CB 0.019 18.250 19.000 -1.283 0.000 1.003 167 A HN 1.150 nan 8.150 nan 0.000 0.497 168 A N 1.759 124.237 122.820 -0.570 0.000 2.032 168 A HA -0.116 4.205 4.320 0.001 0.000 0.221 168 A C 1.577 179.249 177.584 0.148 0.000 1.165 168 A CA 2.067 53.982 52.037 -0.203 0.000 0.645 168 A CB -0.820 17.918 19.000 -0.438 0.000 0.807 168 A HN 1.461 nan 8.150 nan 0.000 0.453 169 Y N -0.973 119.494 120.300 0.279 0.000 2.482 169 Y HA 0.463 5.014 4.550 0.001 0.000 0.270 169 Y C 0.517 176.656 175.900 0.397 0.000 1.152 169 Y CA -0.597 57.804 58.100 0.502 0.000 1.292 169 Y CB -0.534 38.212 38.460 0.477 0.000 1.070 169 Y HN 0.248 nan 8.280 nan 0.000 0.528 170 E N 1.630 121.771 120.200 -0.098 0.000 2.392 170 E HA 0.249 4.600 4.350 0.001 0.000 0.259 170 E C -0.595 176.030 176.600 0.042 0.000 1.108 170 E CA -0.493 55.894 56.400 -0.021 0.000 0.916 170 E CB 1.054 30.628 29.700 -0.209 0.000 0.989 170 E HN 0.254 nan 8.360 nan 0.000 0.432 171 L N 2.555 123.754 121.223 -0.041 0.000 2.367 171 L HA 0.158 4.499 4.340 0.001 0.000 0.275 171 L C 0.681 177.535 176.870 -0.026 0.000 1.129 171 L CA -0.080 54.678 54.840 -0.136 0.000 0.839 171 L CB 0.289 42.066 42.059 -0.471 0.000 1.133 171 L HN 0.393 nan 8.230 nan 0.000 0.453 172 E N 2.569 122.783 120.200 0.024 0.000 2.232 172 E HA 0.331 4.682 4.350 0.001 0.000 0.265 172 E C -0.623 176.011 176.600 0.055 0.000 1.001 172 E CA -0.579 55.819 56.400 -0.002 0.000 0.870 172 E CB 1.655 31.259 29.700 -0.159 0.000 1.175 172 E HN 0.484 nan 8.360 nan 0.000 0.407 173 E N 0.181 120.340 120.200 -0.069 0.000 2.349 173 E HA 0.096 4.447 4.350 0.001 0.000 0.262 173 E C 0.810 177.268 176.600 -0.236 0.000 1.088 173 E CA -0.490 55.868 56.400 -0.070 0.000 0.899 173 E CB 0.797 30.577 29.700 0.133 0.000 1.044 173 E HN 0.501 nan 8.360 nan 0.000 0.420 174 C N 1.767 121.035 119.300 -0.053 0.000 2.422 174 C HA -0.103 4.358 4.460 0.001 0.000 0.286 174 C C 2.224 177.203 174.990 -0.019 0.000 1.412 174 C CA -0.091 58.938 59.018 0.018 0.000 1.786 174 C CB -1.243 26.625 27.740 0.213 0.000 1.835 174 C HN 0.874 nan 8.230 nan 0.000 0.533 175 W N 0.789 122.086 121.300 -0.006 0.000 2.421 175 W HA -0.130 4.531 4.660 0.001 0.000 0.270 175 W C 1.647 178.156 176.519 -0.017 0.000 1.233 175 W CA 0.616 57.950 57.345 -0.018 0.000 1.226 175 W CB -1.120 28.296 29.460 -0.073 0.000 1.121 175 W HN 0.387 nan 8.180 nan 0.000 0.579 176 Q N 1.130 120.423 119.800 -0.845 0.000 2.291 176 Q HA -0.067 4.274 4.340 0.001 0.000 0.206 176 Q C 2.359 178.187 176.000 -0.287 0.000 0.976 176 Q CA 1.343 56.677 55.803 -0.782 0.000 0.875 176 Q CB -0.170 28.034 28.738 -0.890 0.000 0.927 176 Q HN 0.519 nan 8.270 nan 0.000 0.450 177 L N -0.862 120.259 121.223 -0.169 0.000 2.269 177 L HA -0.004 4.337 4.340 0.001 0.000 0.200 177 L C 2.166 179.069 176.870 0.055 0.000 1.069 177 L CA 0.211 55.006 54.840 -0.076 0.000 0.804 177 L CB -0.258 41.735 42.059 -0.110 0.000 0.987 177 L HN 0.107 nan 8.230 nan 0.000 0.468 178 L N 0.542 121.847 121.223 0.136 0.000 2.265 178 L HA -0.166 4.174 4.340 0.001 0.000 0.215 178 L C 2.755 179.786 176.870 0.267 0.000 1.117 178 L CA 1.027 56.000 54.840 0.222 0.000 0.782 178 L CB -0.595 41.633 42.059 0.281 0.000 0.914 178 L HN 0.371 nan 8.230 nan 0.000 0.441 179 R N 0.169 120.819 120.500 0.251 0.000 2.193 179 R HA -0.196 4.145 4.340 0.001 0.000 0.229 179 R C 1.826 178.264 176.300 0.230 0.000 1.110 179 R CA 1.139 57.422 56.100 0.304 0.000 0.988 179 R CB -0.561 29.935 30.300 0.325 0.000 0.871 179 R HN 0.457 nan 8.270 nan 0.000 0.458 180 Q N 0.770 120.654 119.800 0.139 0.000 2.226 180 Q HA -0.045 4.296 4.340 0.001 0.000 0.204 180 Q C 1.214 177.277 176.000 0.105 0.000 0.975 180 Q CA 1.737 57.579 55.803 0.065 0.000 0.866 180 Q CB 0.160 28.905 28.738 0.012 0.000 0.915 180 Q HN 0.398 nan 8.270 nan 0.000 0.440 181 S N -0.088 115.746 115.700 0.224 0.000 2.556 181 S HA 0.104 4.574 4.470 0.001 0.000 0.216 181 S C 0.340 175.255 174.600 0.526 0.000 0.970 181 S CA -0.197 58.210 58.200 0.345 0.000 0.912 181 S CB 0.476 63.843 63.200 0.278 0.000 0.790 181 S HN 0.278 nan 8.310 nan 0.000 0.504 182 L N 1.438 122.911 121.223 0.417 0.000 4.001 182 L HA -0.198 4.142 4.340 0.001 0.000 0.413 182 L C -0.958 176.171 176.870 0.431 0.000 1.185 182 L CA 1.074 56.146 54.840 0.386 0.000 0.963 182 L CB -2.794 39.393 42.059 0.213 0.000 1.976 182 L HN 0.472 nan 8.230 nan 0.000 0.939 183 H N -0.718 118.558 119.070 0.342 0.000 2.718 183 H HA 0.687 5.244 4.556 0.001 0.000 0.295 183 H C 0.107 175.610 175.328 0.290 0.000 1.051 183 H CA 0.237 56.381 56.048 0.161 0.000 1.260 183 H CB 1.649 31.308 29.762 -0.172 0.000 1.403 183 H HN 0.190 nan 8.280 nan 0.000 0.488 184 S N 1.772 117.741 115.700 0.448 0.000 2.542 184 S HA 0.181 4.651 4.470 0.001 0.000 0.276 184 S C 0.468 175.197 174.600 0.214 0.000 1.148 184 S CA -0.587 57.822 58.200 0.348 0.000 0.886 184 S CB 0.738 63.922 63.200 -0.026 0.000 1.109 184 S HN 0.387 nan 8.310 nan 0.000 0.458 185 V N 2.552 122.532 119.914 0.110 0.000 3.623 185 V HA 0.199 4.319 4.120 0.001 0.000 0.271 185 V C 1.789 177.798 176.094 -0.142 0.000 1.248 185 V CA 1.239 63.469 62.300 -0.116 0.000 1.156 185 V CB -0.725 30.815 31.823 -0.472 0.000 0.870 185 V HN 0.870 nan 8.190 nan 0.000 0.453 186 S N -0.116 115.422 115.700 -0.270 0.000 2.387 186 S HA -0.165 4.305 4.470 0.001 0.000 0.226 186 S C 1.838 176.241 174.600 -0.329 0.000 1.026 186 S CA 1.218 59.173 58.200 -0.407 0.000 0.972 186 S CB -0.835 61.885 63.200 -0.800 0.000 0.814 186 S HN 0.570 nan 8.310 nan 0.000 0.477 187 Y N 3.209 123.449 120.300 -0.100 0.000 2.128 187 Y HA -0.086 4.465 4.550 0.001 0.000 0.284 187 Y C 2.726 178.542 175.900 -0.140 0.000 1.154 187 Y CA 1.123 59.147 58.100 -0.127 0.000 1.149 187 Y CB -0.974 37.322 38.460 -0.273 0.000 0.976 187 Y HN 0.605 nan 8.280 nan 0.000 0.505 188 E N -0.059 120.167 120.200 0.043 0.000 2.418 188 E HA -0.024 4.327 4.350 0.001 0.000 0.197 188 E C 1.722 178.285 176.600 -0.062 0.000 1.026 188 E CA 0.869 57.244 56.400 -0.042 0.000 0.862 188 E CB -0.238 29.444 29.700 -0.029 0.000 0.799 188 E HN 0.360 nan 8.360 nan 0.000 0.518 189 A N 0.746 123.555 122.820 -0.018 0.000 2.275 189 A HA 0.262 4.583 4.320 0.001 0.000 0.212 189 A C 1.689 179.349 177.584 0.127 0.000 1.201 189 A CA -0.049 52.072 52.037 0.139 0.000 0.843 189 A CB 0.097 19.244 19.000 0.245 0.000 0.873 189 A HN 0.265 nan 8.150 nan 0.000 0.492 190 L N -1.679 119.483 121.223 -0.103 0.000 2.966 190 L HA 0.530 4.870 4.340 0.001 0.000 0.262 190 L C 0.431 177.030 176.870 -0.452 0.000 1.165 190 L CA 0.419 55.211 54.840 -0.080 0.000 0.978 190 L CB 0.706 42.811 42.059 0.077 0.000 1.337 190 L HN 0.316 nan 8.230 nan 0.000 0.563 191 A N -1.362 120.893 122.820 -0.942 0.000 2.608 191 A HA 0.489 4.809 4.320 0.001 0.000 0.292 191 A C -1.650 175.489 177.584 -0.741 0.000 1.066 191 A CA -0.521 51.022 52.037 -0.825 0.000 0.676 191 A CB 0.630 19.636 19.000 0.010 0.000 1.277 191 A HN 0.165 nan 8.150 nan 0.000 0.413 192 H N 0.962 119.838 119.070 -0.325 0.000 3.008 192 H HA 0.462 5.019 4.556 0.001 0.000 0.268 192 H C -0.186 175.133 175.328 -0.016 0.000 1.323 192 H CA 0.576 56.633 56.048 0.015 0.000 1.401 192 H CB 0.338 30.239 29.762 0.233 0.000 1.556 192 H HN 0.948 nan 8.280 nan 0.000 0.502 193 V N 4.666 124.393 119.914 -0.311 0.000 2.562 193 V HA 0.290 4.410 4.120 0.001 0.000 0.274 193 V C -2.089 173.866 176.094 -0.232 0.000 1.075 193 V CA -1.259 60.867 62.300 -0.292 0.000 1.204 193 V CB 1.038 32.659 31.823 -0.338 0.000 1.478 193 V HN 0.549 nan 8.190 nan 0.000 0.622 194 P HA -0.131 nan 4.420 nan 0.000 0.217 194 P C 1.599 178.842 177.300 -0.095 0.000 1.148 194 P CA 1.587 64.572 63.100 -0.192 0.000 0.828 194 P CB 0.381 31.955 31.700 -0.209 0.000 0.783 195 S N -1.113 114.532 115.700 -0.092 0.000 2.383 195 S HA -0.161 4.310 4.470 0.001 0.000 0.227 195 S C 1.919 176.517 174.600 -0.003 0.000 1.026 195 S CA 0.892 59.066 58.200 -0.042 0.000 0.981 195 S CB -1.125 62.041 63.200 -0.057 0.000 0.818 195 S HN 0.212 nan 8.310 nan 0.000 0.472 196 Y N 2.248 122.462 120.300 -0.144 0.000 2.243 196 Y HA 0.086 4.637 4.550 0.001 0.000 0.293 196 Y C 2.366 178.268 175.900 0.003 0.000 1.124 196 Y CA 0.746 58.780 58.100 -0.110 0.000 1.159 196 Y CB -0.748 37.557 38.460 -0.258 0.000 1.008 196 Y HN 0.191 nan 8.280 nan 0.000 0.527 197 A N 0.064 122.853 122.820 -0.052 0.000 1.908 197 A HA -0.261 4.059 4.320 0.001 0.000 0.218 197 A C 1.923 179.427 177.584 -0.133 0.000 1.181 197 A CA 2.202 54.168 52.037 -0.119 0.000 0.627 197 A CB -1.169 17.793 19.000 -0.064 0.000 0.818 197 A HN 0.624 nan 8.150 nan 0.000 0.445 198 D N -1.962 118.394 120.400 -0.073 0.000 2.097 198 D HA -0.210 4.431 4.640 0.001 0.000 0.195 198 D C 1.668 177.932 176.300 -0.060 0.000 0.989 198 D CA 1.594 55.566 54.000 -0.047 0.000 0.827 198 D CB -0.326 40.466 40.800 -0.014 0.000 0.966 198 D HN 0.607 nan 8.370 nan 0.000 0.456 199 W N 0.452 121.603 121.300 -0.249 0.000 2.355 199 W HA -0.158 4.503 4.660 0.002 0.000 0.309 199 W C 1.963 178.274 176.519 -0.346 0.000 1.206 199 W CA 1.172 58.354 57.345 -0.273 0.000 1.284 199 W CB -0.677 28.601 29.460 -0.304 0.000 1.145 199 W HN 0.138 nan 8.180 nan 0.000 0.502 200 L N 1.605 122.589 121.223 -0.398 0.000 2.079 200 L HA -0.191 4.150 4.340 0.001 0.000 0.210 200 L C 2.754 179.386 176.870 -0.396 0.000 1.081 200 L CA 2.710 57.179 54.840 -0.618 0.000 0.752 200 L CB -1.350 40.354 42.059 -0.593 0.000 0.896 200 L HN 0.197 nan 8.230 nan 0.000 0.433 201 S N -1.169 114.406 115.700 -0.210 0.000 2.469 201 S HA -0.158 4.313 4.470 0.001 0.000 0.238 201 S C 1.931 176.476 174.600 -0.093 0.000 0.998 201 S CA 0.823 58.996 58.200 -0.045 0.000 0.957 201 S CB -0.494 62.703 63.200 -0.005 0.000 0.764 201 S HN 0.591 nan 8.310 nan 0.000 0.514 202 R N 0.243 120.591 120.500 -0.254 0.000 2.362 202 R HA 0.283 4.624 4.340 0.001 0.000 0.227 202 R C -0.033 176.064 176.300 -0.339 0.000 0.905 202 R CA -0.085 55.863 56.100 -0.252 0.000 1.067 202 R CB 0.205 30.348 30.300 -0.262 0.000 1.078 202 R HN 0.420 nan 8.270 nan 0.000 0.516 203 Q N 0.940 120.453 119.800 -0.477 0.000 2.260 203 Q HA 0.085 4.426 4.340 0.001 0.000 0.242 203 Q C -0.659 175.214 176.000 -0.211 0.000 0.932 203 Q CA -0.237 55.271 55.803 -0.492 0.000 0.891 203 Q CB 1.138 29.387 28.738 -0.815 0.000 1.222 203 Q HN -0.072 nan 8.270 nan 0.000 0.453 204 D N 0.170 120.485 120.400 -0.142 0.000 2.316 204 D HA 0.093 4.734 4.640 0.001 0.000 0.245 204 D C -0.238 176.080 176.300 0.030 0.000 1.171 204 D CA -0.224 53.776 54.000 -0.001 0.000 0.856 204 D CB 0.338 41.131 40.800 -0.012 0.000 1.090 204 D HN 0.392 nan 8.370 nan 0.000 0.476 205 W N 2.476 123.764 121.300 -0.021 0.000 2.937 205 W HA 0.019 4.680 4.660 0.002 0.000 0.245 205 W C 2.138 178.690 176.519 0.055 0.000 1.306 205 W CA 0.070 57.438 57.345 0.037 0.000 1.470 205 W CB -0.195 29.321 29.460 0.094 0.000 1.132 205 W HN 0.394 nan 8.180 nan 0.000 0.675 206 T N 1.115 115.784 114.554 0.192 0.000 2.665 206 T HA -0.223 4.128 4.350 0.001 0.000 0.268 206 T C -0.582 174.194 174.700 0.126 0.000 1.035 206 T CA 1.715 63.888 62.100 0.121 0.000 1.151 206 T CB -1.629 67.265 68.868 0.042 0.000 0.862 206 T HN 0.003 nan 8.240 nan 0.000 0.438 207 P HA 0.002 nan 4.420 nan 0.000 0.216 207 P C 1.719 179.062 177.300 0.072 0.000 1.150 207 P CA 1.010 64.135 63.100 0.042 0.000 0.837 207 P CB -0.110 31.592 31.700 0.004 0.000 0.786 208 S N -1.949 113.800 115.700 0.081 0.000 2.383 208 S HA -0.144 4.326 4.470 0.001 0.000 0.227 208 S C 1.679 176.407 174.600 0.213 0.000 1.026 208 S CA 1.078 59.357 58.200 0.132 0.000 0.981 208 S CB -1.044 62.240 63.200 0.140 0.000 0.818 208 S HN 0.166 nan 8.310 nan 0.000 0.472 209 Y N 0.685 121.076 120.300 0.151 0.000 2.373 209 Y HA -0.064 4.487 4.550 0.001 0.000 0.293 209 Y C 2.665 178.614 175.900 0.082 0.000 1.129 209 Y CA -0.174 58.005 58.100 0.131 0.000 1.226 209 Y CB -0.723 37.770 38.460 0.054 0.000 1.000 209 Y HN 0.288 nan 8.280 nan 0.000 0.549 210 C N -0.612 118.772 119.300 0.140 0.000 2.425 210 C HA -0.154 4.307 4.460 0.001 0.000 0.277 210 C C 2.869 177.876 174.990 0.028 0.000 1.280 210 C CA 1.041 60.072 59.018 0.021 0.000 1.744 210 C CB -0.889 26.847 27.740 -0.006 0.000 1.989 210 C HN 0.478 nan 8.230 nan 0.000 0.491 211 R N -0.209 120.338 120.500 0.079 0.000 2.092 211 R HA -0.135 4.206 4.340 0.001 0.000 0.231 211 R C 2.432 178.830 176.300 0.164 0.000 1.119 211 R CA 1.228 57.390 56.100 0.103 0.000 0.970 211 R CB -0.653 29.740 30.300 0.155 0.000 0.864 211 R HN 0.692 nan 8.270 nan 0.000 0.440 212 H N 0.895 119.990 119.070 0.043 0.000 2.319 212 H HA -0.186 4.371 4.556 0.001 0.000 0.299 212 H C 2.045 177.396 175.328 0.038 0.000 1.092 212 H CA 2.220 58.275 56.048 0.011 0.000 1.302 212 H CB -0.021 29.696 29.762 -0.074 0.000 1.373 212 H HN 0.178 nan 8.280 nan 0.000 0.497 213 R N 0.491 121.126 120.500 0.226 0.000 2.081 213 R HA -0.083 4.258 4.340 0.001 0.000 0.235 213 R C 2.720 179.035 176.300 0.026 0.000 1.131 213 R CA 1.228 57.409 56.100 0.134 0.000 0.960 213 R CB -0.045 30.221 30.300 -0.057 0.000 0.856 213 R HN 0.309 nan 8.270 nan 0.000 0.436 214 R N 0.029 120.538 120.500 0.016 0.000 2.096 214 R HA -0.071 4.270 4.340 0.001 0.000 0.235 214 R C 1.955 178.398 176.300 0.239 0.000 1.127 214 R CA 1.373 57.474 56.100 0.002 0.000 0.968 214 R CB -0.309 29.772 30.300 -0.365 0.000 0.861 214 R HN 0.345 nan 8.270 nan 0.000 0.440 215 N N 0.695 119.533 118.700 0.229 0.000 2.270 215 N HA -0.065 4.676 4.740 0.001 0.000 0.181 215 N C 1.844 177.298 175.510 -0.093 0.000 1.016 215 N CA 0.885 54.006 53.050 0.118 0.000 0.870 215 N CB 0.032 38.498 38.487 -0.036 0.000 0.979 215 N HN 0.213 nan 8.380 nan 0.000 0.431 216 L N 1.137 122.188 121.223 -0.287 0.000 2.093 216 L HA -0.136 4.205 4.340 0.001 0.000 0.208 216 L C 2.311 179.163 176.870 -0.029 0.000 1.085 216 L CA 1.012 55.515 54.840 -0.562 0.000 0.755 216 L CB -0.436 40.980 42.059 -1.072 0.000 0.904 216 L HN 0.175 nan 8.230 nan 0.000 0.435 217 Q N -0.222 119.623 119.800 0.074 0.000 2.084 217 Q HA -0.249 4.092 4.340 0.001 0.000 0.202 217 Q C 2.222 178.373 176.000 0.252 0.000 0.978 217 Q CA 1.529 57.460 55.803 0.213 0.000 0.844 217 Q CB -0.202 28.688 28.738 0.253 0.000 0.898 217 Q HN 0.352 nan 8.270 nan 0.000 0.426 218 L N 0.490 121.844 121.223 0.219 0.000 1.988 218 L HA -0.131 4.210 4.340 0.001 0.000 0.207 218 L C 2.007 178.910 176.870 0.055 0.000 1.071 218 L CA 1.622 56.546 54.840 0.139 0.000 0.744 218 L CB -0.326 41.770 42.059 0.063 0.000 0.893 218 L HN 0.160 nan 8.230 nan 0.000 0.433 219 I N -0.141 120.472 120.570 0.072 0.000 2.361 219 I HA -0.167 4.003 4.170 0.001 0.000 0.251 219 I C 1.988 178.221 176.117 0.195 0.000 1.133 219 I CA 1.280 62.633 61.300 0.088 0.000 1.413 219 I CB -0.835 37.251 38.000 0.143 0.000 1.073 219 I HN 0.479 nan 8.210 nan 0.000 0.424 220 G N 0.206 109.231 108.800 0.374 0.000 3.314 220 G HA2 0.043 4.004 3.960 0.001 0.000 0.238 220 G HA3 0.043 4.004 3.960 0.001 0.000 0.238 220 G C 1.323 176.321 174.900 0.163 0.000 1.184 220 G CA -0.275 45.001 45.100 0.293 0.000 0.806 220 G HN 0.179 nan 8.290 nan 0.000 0.536 221 L N 0.484 121.776 121.223 0.116 0.000 2.129 221 L HA -0.033 4.308 4.340 0.001 0.000 0.212 221 L C 1.604 178.504 176.870 0.049 0.000 1.087 221 L CA 1.552 56.441 54.840 0.082 0.000 0.757 221 L CB -0.079 41.998 42.059 0.031 0.000 0.896 221 L HN 0.118 nan 8.230 nan 0.000 0.434 222 N N -0.730 117.983 118.700 0.021 0.000 2.280 222 N HA 0.041 4.781 4.740 0.001 0.000 0.192 222 N C -0.149 175.367 175.510 0.009 0.000 1.109 222 N CA 0.431 53.490 53.050 0.016 0.000 0.855 222 N CB 0.214 38.707 38.487 0.010 0.000 0.974 222 N HN 0.470 nan 8.380 nan 0.000 0.482 223 D N -0.091 120.311 120.400 0.003 0.000 2.819 223 D HA 0.207 4.847 4.640 0.001 0.000 0.326 223 D C 0.878 177.163 176.300 -0.025 0.000 1.408 223 D CA -0.126 53.854 54.000 -0.034 0.000 0.811 223 D CB 0.773 41.516 40.800 -0.096 0.000 1.148 223 D HN -0.001 nan 8.370 nan 0.000 0.457 224 A N 1.535 124.369 122.820 0.024 0.000 2.032 224 A HA -0.222 4.099 4.320 0.001 0.000 0.221 224 A C 2.040 179.644 177.584 0.033 0.000 1.165 224 A CA 1.397 53.466 52.037 0.052 0.000 0.645 224 A CB -0.180 18.857 19.000 0.061 0.000 0.807 224 A HN 0.251 nan 8.150 nan 0.000 0.453 225 E N 0.657 120.864 120.200 0.011 0.000 2.481 225 E HA -0.023 4.328 4.350 0.001 0.000 0.195 225 E C 0.027 176.625 176.600 -0.003 0.000 1.047 225 E CA 0.324 56.730 56.400 0.009 0.000 0.867 225 E CB -0.142 29.562 29.700 0.007 0.000 0.858 225 E HN 0.547 nan 8.360 nan 0.000 0.513 226 K N 1.526 121.902 120.400 -0.041 0.000 2.172 226 K HA 0.264 4.585 4.320 0.001 0.000 0.276 226 K C 0.140 176.675 176.600 -0.109 0.000 1.013 226 K CA -0.672 55.574 56.287 -0.068 0.000 0.913 226 K CB 1.808 34.228 32.500 -0.133 0.000 1.055 226 K HN -0.060 nan 8.250 nan 0.000 0.461 227 R N 2.568 123.027 120.500 -0.069 0.000 2.389 227 R HA 0.053 4.394 4.340 0.001 0.000 0.295 227 R C -0.882 175.265 176.300 -0.254 0.000 1.075 227 R CA -0.286 55.722 56.100 -0.153 0.000 1.005 227 R CB 0.456 30.593 30.300 -0.272 0.000 0.987 227 R HN 0.524 nan 8.270 nan 0.000 0.452 228 W N 3.595 124.750 121.300 -0.241 0.000 2.218 228 W HA 0.242 4.903 4.660 0.001 0.000 0.326 228 W C -0.412 175.868 176.519 -0.398 0.000 1.276 228 W CA -0.185 56.997 57.345 -0.273 0.000 1.210 228 W CB 1.200 30.495 29.460 -0.275 0.000 1.143 228 W HN 0.177 nan 8.180 nan 0.000 0.563 229 V N 6.014 125.918 119.914 -0.017 0.000 2.483 229 V HA 0.409 4.530 4.120 0.001 0.000 0.297 229 V C -0.364 175.705 176.094 -0.041 0.000 1.027 229 V CA -0.987 61.245 62.300 -0.114 0.000 0.855 229 V CB 0.991 32.804 31.823 -0.018 0.000 0.995 229 V HN 0.220 nan 8.190 nan 0.000 0.424 230 L N 3.976 125.013 121.223 -0.311 0.000 2.323 230 L HA 0.789 5.130 4.340 0.001 0.000 0.265 230 L C -0.285 176.404 176.870 -0.303 0.000 1.012 230 L CA -0.741 53.921 54.840 -0.297 0.000 0.820 230 L CB 2.000 43.732 42.059 -0.545 0.000 1.334 230 L HN 0.563 nan 8.230 nan 0.000 0.427 231 K N 2.180 122.392 120.400 -0.313 0.000 2.550 231 K HA 0.533 4.854 4.320 0.001 0.000 0.252 231 K C -1.967 174.607 176.600 -0.043 0.000 0.943 231 K CA -0.328 55.807 56.287 -0.253 0.000 0.806 231 K CB 2.472 34.539 32.500 -0.721 0.000 1.289 231 K HN 0.782 nan 8.250 nan 0.000 0.435 232 N N 3.517 122.238 118.700 0.035 0.000 3.217 232 N HA 0.271 5.012 4.740 0.001 0.000 0.236 232 N C -2.611 172.831 175.510 -0.114 0.000 1.136 232 N CA -0.727 52.273 53.050 -0.082 0.000 0.997 232 N CB 1.869 40.197 38.487 -0.264 0.000 1.658 232 N HN 0.170 nan 8.380 nan 0.000 0.527 233 P HA -0.079 nan 4.420 nan 0.000 0.221 233 P C 0.964 178.402 177.300 0.229 0.000 1.150 233 P CA 1.208 64.410 63.100 0.169 0.000 0.800 233 P CB 0.174 32.081 31.700 0.345 0.000 0.787 234 S N -1.291 114.424 115.700 0.024 0.000 2.419 234 S HA -0.247 4.223 4.470 0.001 0.000 0.235 234 S C 1.672 176.245 174.600 -0.045 0.000 1.019 234 S CA 1.188 59.364 58.200 -0.041 0.000 0.982 234 S CB -1.794 61.282 63.200 -0.206 0.000 0.789 234 S HN 0.351 nan 8.310 nan 0.000 0.490 235 H N 1.063 120.191 119.070 0.097 0.000 2.489 235 H HA 0.118 4.675 4.556 0.001 0.000 0.293 235 H C 1.865 177.220 175.328 0.045 0.000 1.066 235 H CA 1.219 57.289 56.048 0.038 0.000 1.305 235 H CB -0.265 29.538 29.762 0.069 0.000 1.386 235 H HN 0.338 nan 8.280 nan 0.000 0.551 236 L N -0.609 120.667 121.223 0.089 0.000 2.109 236 L HA -0.123 4.218 4.340 0.001 0.000 0.207 236 L C 1.409 178.279 176.870 0.001 0.000 1.086 236 L CA 1.042 55.858 54.840 -0.040 0.000 0.760 236 L CB -0.180 41.723 42.059 -0.260 0.000 0.910 236 L HN 0.274 nan 8.230 nan 0.000 0.437 237 F N -0.607 119.327 119.950 -0.027 0.000 2.569 237 F HA 0.123 4.651 4.527 0.002 0.000 0.295 237 F C 1.790 177.405 175.800 -0.309 0.000 1.115 237 F CA 0.446 58.385 58.000 -0.102 0.000 1.450 237 F CB -0.060 38.885 39.000 -0.093 0.000 1.107 237 F HN -0.066 nan 8.300 nan 0.000 0.563 238 A N -0.100 122.513 122.820 -0.345 0.000 2.749 238 A HA 0.339 4.660 4.320 0.001 0.000 0.299 238 A C 1.273 178.592 177.584 -0.443 0.000 1.105 238 A CA -0.176 51.486 52.037 -0.625 0.000 0.987 238 A CB -0.557 17.672 19.000 -1.285 0.000 1.180 238 A HN 0.258 nan 8.150 nan 0.000 0.528 239 L N -0.205 120.917 121.223 -0.169 0.000 2.079 239 L HA -0.148 4.193 4.340 0.001 0.000 0.210 239 L C 1.598 178.336 176.870 -0.220 0.000 1.081 239 L CA 2.394 57.147 54.840 -0.144 0.000 0.752 239 L CB -0.290 41.760 42.059 -0.016 0.000 0.896 239 L HN 0.460 nan 8.230 nan 0.000 0.433 240 D N -0.240 120.100 120.400 -0.101 0.000 2.117 240 D HA -0.157 4.484 4.640 0.001 0.000 0.197 240 D C 2.157 178.373 176.300 -0.141 0.000 0.987 240 D CA 1.523 55.514 54.000 -0.015 0.000 0.829 240 D CB -0.104 40.731 40.800 0.058 0.000 0.961 240 D HN 0.513 nan 8.370 nan 0.000 0.460 241 A N 0.970 123.640 122.820 -0.251 0.000 1.930 241 A HA -0.088 4.232 4.320 0.001 0.000 0.217 241 A C 2.281 179.588 177.584 -0.461 0.000 1.175 241 A CA 0.696 52.548 52.037 -0.308 0.000 0.627 241 A CB -0.737 18.066 19.000 -0.327 0.000 0.815 241 A HN 0.256 nan 8.150 nan 0.000 0.443 242 L N -1.001 119.798 121.223 -0.706 0.000 1.994 242 L HA -0.199 4.142 4.340 0.001 0.000 0.208 242 L C 2.476 179.160 176.870 -0.311 0.000 1.071 242 L CA 1.683 56.193 54.840 -0.550 0.000 0.745 242 L CB -0.233 41.419 42.059 -0.679 0.000 0.892 242 L HN 0.290 nan 8.230 nan 0.000 0.431 243 M N -0.536 118.836 119.600 -0.380 0.000 2.229 243 M HA -0.106 4.375 4.480 0.001 0.000 0.264 243 M C 2.432 178.622 176.300 -0.183 0.000 1.063 243 M CA 1.580 56.664 55.300 -0.359 0.000 1.114 243 M CB -1.538 30.614 32.600 -0.746 0.000 1.387 243 M HN 0.432 nan 8.290 nan 0.000 0.420 244 A N -0.204 122.529 122.820 -0.144 0.000 1.930 244 A HA -0.094 4.226 4.320 0.001 0.000 0.217 244 A C 2.313 179.823 177.584 -0.122 0.000 1.175 244 A CA 1.999 53.985 52.037 -0.084 0.000 0.627 244 A CB -0.868 18.097 19.000 -0.057 0.000 0.815 244 A HN 0.471 nan 8.150 nan 0.000 0.443 245 T N -1.845 112.596 114.554 -0.187 0.000 2.978 245 T HA 0.071 4.422 4.350 0.001 0.000 0.262 245 T C -0.217 174.170 174.700 -0.522 0.000 1.063 245 T CA 0.924 62.806 62.100 -0.363 0.000 1.140 245 T CB -0.206 68.401 68.868 -0.435 0.000 0.886 245 T HN 0.456 nan 8.240 nan 0.000 0.470 246 Y N 0.276 120.530 120.300 -0.077 0.000 2.662 246 Y HA 0.357 4.908 4.550 0.001 0.000 0.358 246 Y C -2.257 173.570 175.900 -0.122 0.000 1.041 246 Y CA -2.864 55.199 58.100 -0.062 0.000 1.184 246 Y CB 1.063 39.509 38.460 -0.024 0.000 1.114 246 Y HN 0.048 nan 8.280 nan 0.000 0.650 247 P HA -0.182 nan 4.420 nan 0.000 0.217 247 P C 0.735 178.017 177.300 -0.030 0.000 1.148 247 P CA 1.796 64.881 63.100 -0.025 0.000 0.828 247 P CB 0.284 31.982 31.700 -0.004 0.000 0.783 248 D N -1.766 118.630 120.400 -0.007 0.000 2.388 248 D HA 0.193 4.834 4.640 0.001 0.000 0.221 248 D C 0.337 176.582 176.300 -0.091 0.000 1.133 248 D CA -0.546 53.432 54.000 -0.037 0.000 0.831 248 D CB -0.828 39.964 40.800 -0.013 0.000 0.962 248 D HN -0.001 nan 8.370 nan 0.000 0.502 249 A N 0.571 123.328 122.820 -0.105 0.000 2.483 249 A HA 0.402 4.722 4.320 0.001 0.000 0.238 249 A C 0.099 177.484 177.584 -0.332 0.000 1.070 249 A CA -0.137 51.806 52.037 -0.157 0.000 0.770 249 A CB 0.178 19.064 19.000 -0.190 0.000 1.008 249 A HN 0.399 nan 8.150 nan 0.000 0.497 250 L N 2.820 123.801 121.223 -0.402 0.000 2.294 250 L HA 0.418 4.759 4.340 0.001 0.000 0.283 250 L C -0.852 175.764 176.870 -0.424 0.000 1.015 250 L CA -0.668 53.719 54.840 -0.756 0.000 0.831 250 L CB 1.393 42.659 42.059 -1.322 0.000 1.217 250 L HN 0.404 nan 8.230 nan 0.000 0.420 251 V N 4.347 124.068 119.914 -0.322 0.000 2.398 251 V HA 0.436 4.556 4.120 0.001 0.000 0.286 251 V C 0.034 176.302 176.094 0.289 0.000 1.026 251 V CA -0.644 61.627 62.300 -0.049 0.000 0.868 251 V CB 2.218 33.924 31.823 -0.195 0.000 0.982 251 V HN 0.409 nan 8.190 nan 0.000 0.443 252 V N 4.988 125.079 119.914 0.295 0.000 2.409 252 V HA 0.462 4.583 4.120 0.001 0.000 0.291 252 V C -0.207 176.017 176.094 0.217 0.000 1.020 252 V CA -0.499 62.010 62.300 0.348 0.000 0.848 252 V CB 1.551 33.552 31.823 0.297 0.000 0.990 252 V HN 0.954 nan 8.190 nan 0.000 0.430 253 Q N 3.096 123.021 119.800 0.209 0.000 2.316 253 Q HA 0.565 4.905 4.340 0.001 0.000 0.264 253 Q C -0.172 175.743 176.000 -0.142 0.000 0.987 253 Q CA -0.554 55.221 55.803 -0.048 0.000 0.852 253 Q CB 1.940 30.627 28.738 -0.086 0.000 1.287 253 Q HN 0.901 nan 8.270 nan 0.000 0.448 254 T N 0.663 115.080 114.554 -0.229 0.000 2.922 254 T HA 0.449 4.800 4.350 0.001 0.000 0.285 254 T C -0.370 174.077 174.700 -0.421 0.000 1.005 254 T CA -0.579 61.421 62.100 -0.167 0.000 1.061 254 T CB 1.023 69.861 68.868 -0.050 0.000 1.007 254 T HN 0.541 nan 8.240 nan 0.000 0.502 255 H N 1.109 120.182 119.070 0.005 0.000 2.806 255 H HA 0.677 5.234 4.556 0.001 0.000 0.367 255 H C -0.420 174.896 175.328 -0.020 0.000 1.136 255 H CA -0.795 55.243 56.048 -0.017 0.000 1.178 255 H CB 2.354 32.111 29.762 -0.009 0.000 1.718 255 H HN 0.667 nan 8.280 nan 0.000 0.540 256 R N 2.370 122.914 120.500 0.073 0.000 2.563 256 R HA 0.227 4.568 4.340 0.001 0.000 0.262 256 R C -3.181 173.107 176.300 -0.019 0.000 1.128 256 R CA -1.571 54.535 56.100 0.011 0.000 0.969 256 R CB 1.856 32.073 30.300 -0.137 0.000 1.251 256 R HN 0.335 nan 8.270 nan 0.000 0.442 257 P HA -0.057 nan 4.420 nan 0.000 0.256 257 P C 0.712 177.955 177.300 -0.095 0.000 1.173 257 P CA -0.014 63.081 63.100 -0.008 0.000 0.768 257 P CB 0.725 32.441 31.700 0.026 0.000 0.758 258 V N 4.172 123.979 119.914 -0.178 0.000 2.469 258 V HA -0.249 3.872 4.120 0.001 0.000 0.251 258 V C 2.266 178.198 176.094 -0.270 0.000 1.064 258 V CA 2.103 64.180 62.300 -0.372 0.000 1.066 258 V CB -1.005 30.277 31.823 -0.902 0.000 0.667 258 V HN 0.659 nan 8.190 nan 0.000 0.461 259 E N 1.526 121.644 120.200 -0.136 0.000 2.333 259 E HA -0.229 4.121 4.350 0.001 0.000 0.198 259 E C 1.878 178.456 176.600 -0.037 0.000 1.007 259 E CA 1.755 58.123 56.400 -0.053 0.000 0.845 259 E CB -0.655 29.052 29.700 0.012 0.000 0.766 259 E HN 0.735 nan 8.360 nan 0.000 0.507 260 T N -1.077 113.445 114.554 -0.054 0.000 3.081 260 T HA 0.177 4.527 4.350 0.001 0.000 0.250 260 T C 1.904 176.571 174.700 -0.054 0.000 1.100 260 T CA 0.437 62.519 62.100 -0.031 0.000 1.038 260 T CB -0.489 68.368 68.868 -0.019 0.000 0.962 260 T HN 0.442 nan 8.240 nan 0.000 0.516 261 I N -3.932 116.570 120.570 -0.113 0.000 4.526 261 I HA 0.471 4.642 4.170 0.001 0.000 0.330 261 I C 1.860 177.877 176.117 -0.166 0.000 1.323 261 I CA -0.445 60.767 61.300 -0.146 0.000 1.218 261 I CB -0.108 37.752 38.000 -0.233 0.000 1.233 261 I HN -0.009 nan 8.210 nan 0.000 0.430 262 M N 3.136 122.643 119.600 -0.157 0.000 2.106 262 M HA -0.078 4.402 4.480 0.001 0.000 0.259 262 M C 2.312 178.525 176.300 -0.146 0.000 1.068 262 M CA 2.501 57.713 55.300 -0.146 0.000 1.100 262 M CB -0.565 31.984 32.600 -0.085 0.000 1.351 262 M HN 0.424 nan 8.290 nan 0.000 0.404 263 A N -1.523 121.270 122.820 -0.045 0.000 1.902 263 A HA -0.160 4.160 4.320 0.001 0.000 0.217 263 A C 2.363 179.745 177.584 -0.336 0.000 1.181 263 A CA 2.254 54.287 52.037 -0.006 0.000 0.623 263 A CB -1.407 17.782 19.000 0.315 0.000 0.818 263 A HN 0.609 nan 8.150 nan 0.000 0.443 264 S N -0.853 114.668 115.700 -0.299 0.000 2.368 264 S HA -0.176 4.295 4.470 0.001 0.000 0.225 264 S C 2.102 176.428 174.600 -0.457 0.000 1.030 264 S CA 1.807 59.689 58.200 -0.530 0.000 0.999 264 S CB -0.456 62.638 63.200 -0.177 0.000 0.844 264 S HN 0.532 nan 8.310 nan 0.000 0.459 265 M N 0.241 119.631 119.600 -0.349 0.000 2.117 265 M HA -0.117 4.364 4.480 0.001 0.000 0.262 265 M C 2.492 178.584 176.300 -0.346 0.000 1.065 265 M CA 1.422 56.536 55.300 -0.309 0.000 1.114 265 M CB -0.705 31.733 32.600 -0.271 0.000 1.361 265 M HN 0.438 nan 8.290 nan 0.000 0.408 266 C N -0.838 118.155 119.300 -0.511 0.000 2.440 266 C HA -0.088 4.373 4.460 0.001 0.000 0.278 266 C C 3.202 177.725 174.990 -0.777 0.000 1.295 266 C CA 1.271 59.823 59.018 -0.776 0.000 1.738 266 C CB -0.888 25.980 27.740 -1.455 0.000 1.987 266 C HN 0.612 nan 8.230 nan 0.000 0.492 267 S N 0.541 115.814 115.700 -0.712 0.000 2.382 267 S HA -0.149 4.322 4.470 0.001 0.000 0.228 267 S C 1.783 176.225 174.600 -0.263 0.000 1.027 267 S CA 1.399 59.354 58.200 -0.408 0.000 0.991 267 S CB -0.367 62.464 63.200 -0.616 0.000 0.823 267 S HN 0.497 nan 8.310 nan 0.000 0.469 268 L N 1.919 122.961 121.223 -0.301 0.000 2.017 268 L HA 0.124 4.464 4.340 0.001 0.000 0.208 268 L C 2.465 179.214 176.870 -0.202 0.000 1.073 268 L CA 2.211 56.911 54.840 -0.233 0.000 0.745 268 L CB -1.300 40.614 42.059 -0.241 0.000 0.894 268 L HN 0.300 nan 8.230 nan 0.000 0.432 269 A N -1.003 121.708 122.820 -0.182 0.000 1.902 269 A HA -0.282 4.039 4.320 0.001 0.000 0.217 269 A C 2.330 179.846 177.584 -0.113 0.000 1.181 269 A CA 1.806 53.800 52.037 -0.071 0.000 0.623 269 A CB -0.746 18.274 19.000 0.033 0.000 0.818 269 A HN 0.685 nan 8.150 nan 0.000 0.443 270 Q N -1.162 118.501 119.800 -0.228 0.000 2.020 270 Q HA -0.248 4.092 4.340 0.001 0.000 0.202 270 Q C 2.033 177.853 176.000 -0.300 0.000 0.982 270 Q CA 1.807 57.450 55.803 -0.266 0.000 0.838 270 Q CB -0.277 28.292 28.738 -0.282 0.000 0.899 270 Q HN 0.794 nan 8.270 nan 0.000 0.423 271 H N -0.651 118.296 119.070 -0.206 0.000 2.389 271 H HA -0.050 4.507 4.556 0.001 0.000 0.299 271 H C 2.141 177.300 175.328 -0.282 0.000 1.081 271 H CA 1.821 57.729 56.048 -0.234 0.000 1.345 271 H CB -0.189 29.385 29.762 -0.313 0.000 1.393 271 H HN 0.341 nan 8.280 nan 0.000 0.520 272 T N 0.138 114.570 114.554 -0.203 0.000 2.746 272 T HA -0.111 4.240 4.350 0.001 0.000 0.267 272 T C 1.909 176.223 174.700 -0.645 0.000 1.039 272 T CA 1.973 63.899 62.100 -0.290 0.000 1.142 272 T CB -0.312 68.416 68.868 -0.234 0.000 0.866 272 T HN 0.557 nan 8.240 nan 0.000 0.444 273 T N -0.300 113.865 114.554 -0.648 0.000 3.186 273 T HA 0.263 4.614 4.350 0.001 0.000 0.257 273 T C 0.246 174.521 174.700 -0.708 0.000 1.029 273 T CA -0.345 61.119 62.100 -1.060 0.000 0.916 273 T CB -0.235 68.497 68.868 -0.227 0.000 1.041 273 T HN 0.365 nan 8.240 nan 0.000 0.562 274 E N 0.955 120.874 120.200 -0.468 0.000 2.558 274 E HA 0.315 4.666 4.350 0.001 0.000 0.255 274 E C 1.372 177.907 176.600 -0.107 0.000 0.968 274 E CA 1.034 57.312 56.400 -0.202 0.000 0.939 274 E CB -0.491 29.150 29.700 -0.099 0.000 0.921 274 E HN 0.572 nan 8.360 nan 0.000 0.477 275 G N 4.230 113.058 108.800 0.046 0.000 2.179 275 G HA2 -0.238 3.723 3.960 0.001 0.000 0.260 275 G HA3 -0.238 3.723 3.960 0.001 0.000 0.260 275 G C 0.265 175.382 174.900 0.362 0.000 0.977 275 G CA 0.326 45.532 45.100 0.177 0.000 0.641 275 G HN 0.619 nan 8.290 nan 0.000 0.533 276 W N 0.707 122.067 121.300 0.100 0.000 2.863 276 W HA 0.632 5.292 4.660 0.001 0.000 0.258 276 W C 1.329 177.905 176.519 0.093 0.000 1.298 276 W CA 0.263 57.663 57.345 0.091 0.000 1.451 276 W CB -0.091 29.440 29.460 0.119 0.000 1.107 276 W HN 0.619 nan 8.180 nan 0.000 0.641 277 S N -1.142 114.758 115.700 0.332 0.000 2.547 277 S HA 0.329 4.800 4.470 0.001 0.000 0.270 277 S C 0.528 175.239 174.600 0.185 0.000 1.150 277 S CA 0.090 58.441 58.200 0.252 0.000 0.850 277 S CB 0.898 64.290 63.200 0.319 0.000 1.118 277 S HN 0.001 nan 8.310 nan 0.000 0.461 278 T N 0.484 115.123 114.554 0.142 0.000 3.069 278 T HA 0.267 4.618 4.350 0.001 0.000 0.252 278 T C 1.186 175.938 174.700 0.087 0.000 1.053 278 T CA 0.211 62.370 62.100 0.098 0.000 0.964 278 T CB 0.104 69.016 68.868 0.073 0.000 1.005 278 T HN 0.427 nan 8.240 nan 0.000 0.532 279 K N 0.772 121.247 120.400 0.125 0.000 2.262 279 K HA 0.326 4.646 4.320 0.001 0.000 0.200 279 K C 0.216 176.890 176.600 0.125 0.000 1.058 279 K CA -0.334 56.007 56.287 0.090 0.000 0.974 279 K CB -0.342 32.221 32.500 0.104 0.000 0.910 279 K HN 0.279 nan 8.250 nan 0.000 0.484 280 F N 3.739 123.727 119.950 0.065 0.000 2.652 280 F HA 0.292 4.820 4.527 0.001 0.000 0.352 280 F C -0.549 175.287 175.800 0.060 0.000 1.259 280 F CA -0.633 57.418 58.000 0.085 0.000 1.249 280 F CB -0.060 39.038 39.000 0.163 0.000 1.628 280 F HN -0.081 nan 8.300 nan 0.000 0.654 281 V N 1.275 121.108 119.914 -0.134 0.000 3.188 281 V HA 0.909 5.029 4.120 0.001 0.000 0.305 281 V C 0.614 176.638 176.094 -0.118 0.000 1.232 281 V CA -0.492 61.725 62.300 -0.138 0.000 1.043 281 V CB 0.831 32.629 31.823 -0.042 0.000 1.068 281 V HN 0.798 nan 8.190 nan 0.000 0.439 282 G N 1.566 110.328 108.800 -0.064 0.000 2.698 282 G HA2 -0.202 3.759 3.960 0.001 0.000 0.346 282 G HA3 -0.202 3.759 3.960 0.001 0.000 0.346 282 G C 1.346 176.272 174.900 0.044 0.000 1.287 282 G CA 2.311 47.388 45.100 -0.039 0.000 0.990 282 G HN 2.420 nan 8.290 nan 0.000 0.545 283 A N -1.504 121.315 122.820 -0.003 0.000 1.978 283 A HA -0.079 4.241 4.320 0.001 0.000 0.220 283 A C 2.356 179.955 177.584 0.026 0.000 1.170 283 A CA 2.840 54.896 52.037 0.031 0.000 0.636 283 A CB -0.472 18.533 19.000 0.009 0.000 0.810 283 A HN 0.881 nan 8.150 nan 0.000 0.448 284 Q N 0.052 119.837 119.800 -0.025 0.000 2.119 284 Q HA -0.038 4.303 4.340 0.001 0.000 0.201 284 Q C 1.715 177.699 176.000 -0.027 0.000 0.972 284 Q CA 1.623 57.406 55.803 -0.032 0.000 0.847 284 Q CB -0.445 28.234 28.738 -0.098 0.000 0.903 284 Q HN 0.714 nan 8.270 nan 0.000 0.433 285 I N -0.577 119.872 120.570 -0.201 0.000 2.226 285 I HA -0.190 3.981 4.170 0.001 0.000 0.245 285 I C 2.094 178.165 176.117 -0.075 0.000 1.100 285 I CA 1.127 62.204 61.300 -0.372 0.000 1.374 285 I CB -0.649 36.989 38.000 -0.604 0.000 1.057 285 I HN 0.361 nan 8.210 nan 0.000 0.413 286 G N 0.542 109.353 108.800 0.018 0.000 2.421 286 G HA2 -0.229 3.732 3.960 0.001 0.000 0.216 286 G HA3 -0.229 3.732 3.960 0.001 0.000 0.216 286 G C 1.877 176.846 174.900 0.116 0.000 1.171 286 G CA 0.829 45.979 45.100 0.084 0.000 0.775 286 G HN 0.482 nan 8.290 nan 0.000 0.543 287 A N 1.156 124.042 122.820 0.110 0.000 1.877 287 A HA -0.061 4.259 4.320 0.001 0.000 0.216 287 A C 2.107 179.780 177.584 0.147 0.000 1.186 287 A CA 2.179 54.289 52.037 0.122 0.000 0.620 287 A CB -0.468 18.597 19.000 0.108 0.000 0.822 287 A HN 0.282 nan 8.150 nan 0.000 0.443 288 D N 0.026 120.538 120.400 0.187 0.000 2.117 288 D HA -0.020 4.621 4.640 0.001 0.000 0.197 288 D C 2.194 178.589 176.300 0.158 0.000 0.987 288 D CA 1.519 55.648 54.000 0.215 0.000 0.829 288 D CB -0.437 40.593 40.800 0.384 0.000 0.961 288 D HN 0.426 nan 8.370 nan 0.000 0.460 289 A N 0.712 123.649 122.820 0.195 0.000 1.930 289 A HA -0.127 4.193 4.320 0.001 0.000 0.217 289 A C 2.168 179.942 177.584 0.317 0.000 1.175 289 A CA 1.064 53.260 52.037 0.264 0.000 0.627 289 A CB -0.378 18.800 19.000 0.297 0.000 0.815 289 A HN 0.081 nan 8.150 nan 0.000 0.443 290 M N -0.341 119.424 119.600 0.275 0.000 2.117 290 M HA -0.162 4.319 4.480 0.001 0.000 0.262 290 M C 1.844 178.246 176.300 0.169 0.000 1.065 290 M CA 2.116 57.606 55.300 0.318 0.000 1.114 290 M CB -1.191 31.543 32.600 0.222 0.000 1.361 290 M HN 0.605 nan 8.290 nan 0.000 0.408 291 D N -0.206 120.250 120.400 0.094 0.000 2.084 291 D HA -0.112 4.528 4.640 0.001 0.000 0.196 291 D C 1.684 177.980 176.300 -0.007 0.000 0.985 291 D CA 1.935 55.950 54.000 0.026 0.000 0.826 291 D CB 0.055 40.874 40.800 0.032 0.000 0.978 291 D HN 0.189 nan 8.370 nan 0.000 0.456 292 T N -0.708 113.792 114.554 -0.092 0.000 2.607 292 T HA -0.192 4.159 4.350 0.001 0.000 0.267 292 T C 1.623 176.175 174.700 -0.246 0.000 1.049 292 T CA 1.867 63.793 62.100 -0.289 0.000 1.162 292 T CB -0.669 67.773 68.868 -0.711 0.000 0.863 292 T HN 0.385 nan 8.240 nan 0.000 0.424 293 W N 1.516 123.009 121.300 0.322 0.000 2.584 293 W HA 0.003 4.664 4.660 0.001 0.000 0.264 293 W C 2.911 179.606 176.519 0.294 0.000 1.264 293 W CA 0.480 58.023 57.345 0.330 0.000 1.306 293 W CB -0.419 29.241 29.460 0.334 0.000 1.110 293 W HN 0.306 nan 8.180 nan 0.000 0.606 294 S N 0.503 116.325 115.700 0.204 0.000 2.406 294 S HA -0.056 4.415 4.470 0.001 0.000 0.228 294 S C 1.735 176.284 174.600 -0.085 0.000 1.020 294 S CA 0.594 58.652 58.200 -0.236 0.000 0.965 294 S CB -0.400 62.405 63.200 -0.659 0.000 0.798 294 S HN 0.265 nan 8.310 nan 0.000 0.488 295 R N 1.088 121.571 120.500 -0.028 0.000 2.075 295 R HA 0.039 4.380 4.340 0.001 0.000 0.232 295 R C 2.742 178.936 176.300 -0.177 0.000 1.126 295 R CA 1.210 57.298 56.100 -0.020 0.000 0.963 295 R CB -1.039 29.324 30.300 0.106 0.000 0.858 295 R HN 0.581 nan 8.270 nan 0.000 0.435 296 G N 1.277 109.826 108.800 -0.419 0.000 2.459 296 G HA2 -0.248 3.713 3.960 0.001 0.000 0.217 296 G HA3 -0.248 3.713 3.960 0.001 0.000 0.217 296 G C 1.443 176.101 174.900 -0.404 0.000 1.183 296 G CA 0.581 44.977 45.100 -1.172 0.000 0.776 296 G HN 0.133 nan 8.290 nan 0.000 0.552 297 L N 0.046 121.227 121.223 -0.070 0.000 2.093 297 L HA -0.035 4.306 4.340 0.001 0.000 0.208 297 L C 2.861 179.776 176.870 0.075 0.000 1.085 297 L CA 1.215 56.096 54.840 0.068 0.000 0.755 297 L CB -0.317 41.860 42.059 0.196 0.000 0.904 297 L HN 0.229 nan 8.230 nan 0.000 0.435 298 E N 0.555 120.760 120.200 0.009 0.000 2.072 298 E HA -0.195 4.156 4.350 0.001 0.000 0.191 298 E C 2.303 178.901 176.600 -0.003 0.000 0.985 298 E CA 1.046 57.447 56.400 0.000 0.000 0.801 298 E CB 0.110 29.790 29.700 -0.032 0.000 0.750 298 E HN 0.280 nan 8.360 nan 0.000 0.452 299 R N -0.198 120.283 120.500 -0.032 0.000 2.096 299 R HA -0.120 4.221 4.340 0.001 0.000 0.235 299 R C 2.305 178.618 176.300 0.021 0.000 1.127 299 R CA 0.789 56.879 56.100 -0.017 0.000 0.968 299 R CB -1.031 29.251 30.300 -0.029 0.000 0.861 299 R HN 0.249 nan 8.270 nan 0.000 0.440 300 F N 2.449 122.332 119.950 -0.111 0.000 2.113 300 F HA -0.136 4.392 4.527 0.001 0.000 0.297 300 F C 1.890 177.665 175.800 -0.042 0.000 1.103 300 F CA 1.280 59.243 58.000 -0.062 0.000 1.248 300 F CB -0.256 38.716 39.000 -0.048 0.000 0.999 300 F HN -0.033 nan 8.300 nan 0.000 0.475 301 N N 0.768 119.493 118.700 0.040 0.000 2.084 301 N HA -0.167 4.574 4.740 0.001 0.000 0.190 301 N C 2.028 177.455 175.510 -0.138 0.000 1.030 301 N CA 1.599 54.611 53.050 -0.063 0.000 0.849 301 N CB -0.958 37.540 38.487 0.018 0.000 1.012 301 N HN 0.394 nan 8.380 nan 0.000 0.423 302 A N 0.771 123.536 122.820 -0.092 0.000 1.902 302 A HA 0.011 4.332 4.320 0.001 0.000 0.217 302 A C 2.318 179.823 177.584 -0.132 0.000 1.181 302 A CA 2.073 54.053 52.037 -0.096 0.000 0.623 302 A CB -0.795 18.169 19.000 -0.060 0.000 0.818 302 A HN 0.338 nan 8.150 nan 0.000 0.443 303 A N -0.617 122.122 122.820 -0.136 0.000 1.930 303 A HA -0.054 4.267 4.320 0.001 0.000 0.215 303 A C 2.206 179.707 177.584 -0.138 0.000 1.176 303 A CA 1.394 53.367 52.037 -0.105 0.000 0.632 303 A CB -0.452 18.529 19.000 -0.032 0.000 0.819 303 A HN 0.542 nan 8.150 nan 0.000 0.445 304 R N -0.032 120.261 120.500 -0.345 0.000 2.127 304 R HA -0.121 4.220 4.340 0.001 0.000 0.238 304 R C 2.129 178.189 176.300 -0.401 0.000 1.134 304 R CA 1.371 57.151 56.100 -0.533 0.000 0.975 304 R CB -0.400 29.324 30.300 -0.959 0.000 0.865 304 R HN 0.416 nan 8.270 nan 0.000 0.447 305 A N 2.096 124.732 122.820 -0.308 0.000 1.978 305 A HA -0.228 4.092 4.320 0.001 0.000 0.220 305 A C 1.933 179.365 177.584 -0.252 0.000 1.170 305 A CA 1.904 53.795 52.037 -0.244 0.000 0.636 305 A CB -0.468 18.421 19.000 -0.184 0.000 0.810 305 A HN 0.602 nan 8.150 nan 0.000 0.448 306 K N -2.113 118.064 120.400 -0.372 0.000 2.459 306 K HA 0.049 4.369 4.320 0.001 0.000 0.193 306 K C -0.416 175.840 176.600 -0.574 0.000 1.030 306 K CA 0.115 56.108 56.287 -0.488 0.000 1.026 306 K CB -0.188 31.937 32.500 -0.626 0.000 0.809 306 K HN 0.432 nan 8.250 nan 0.000 0.504 307 Y N 1.072 121.331 120.300 -0.069 0.000 2.568 307 Y HA 0.217 4.767 4.550 0.001 0.000 0.327 307 Y C 0.004 175.953 175.900 0.081 0.000 1.163 307 Y CA -1.919 56.208 58.100 0.045 0.000 1.219 307 Y CB 0.569 39.145 38.460 0.193 0.000 1.308 307 Y HN -0.060 nan 8.280 nan 0.000 0.503 308 D N 0.273 120.879 120.400 0.343 0.000 2.382 308 D HA -0.003 4.638 4.640 0.001 0.000 0.259 308 D C 1.000 177.522 176.300 0.371 0.000 1.224 308 D CA 0.346 54.499 54.000 0.256 0.000 0.894 308 D CB 0.946 41.869 40.800 0.205 0.000 1.127 308 D HN 0.631 nan 8.370 nan 0.000 0.487 309 S N 3.031 118.890 115.700 0.265 0.000 2.469 309 S HA -0.169 4.302 4.470 0.001 0.000 0.238 309 S C 1.916 176.776 174.600 0.434 0.000 0.998 309 S CA 0.674 59.071 58.200 0.328 0.000 0.957 309 S CB -0.175 63.126 63.200 0.167 0.000 0.764 309 S HN 0.496 nan 8.310 nan 0.000 0.514 310 A N 1.253 124.259 122.820 0.310 0.000 2.125 310 A HA -0.034 4.286 4.320 0.001 0.000 0.219 310 A C 2.095 179.890 177.584 0.351 0.000 1.156 310 A CA 1.076 53.251 52.037 0.231 0.000 0.671 310 A CB -0.504 18.566 19.000 0.117 0.000 0.794 310 A HN 0.677 nan 8.150 nan 0.000 0.459 311 Q N -1.721 118.308 119.800 0.380 0.000 2.246 311 Q HA 0.291 4.632 4.340 0.001 0.000 0.202 311 Q C -1.136 174.912 176.000 0.081 0.000 0.883 311 Q CA -0.118 55.793 55.803 0.180 0.000 0.952 311 Q CB 0.255 28.927 28.738 -0.110 0.000 1.078 311 Q HN 0.658 nan 8.270 nan 0.000 0.493 312 F N -0.457 119.833 119.950 0.565 0.000 2.563 312 F HA 0.463 4.991 4.527 0.001 0.000 0.316 312 F C -0.762 175.317 175.800 0.465 0.000 1.076 312 F CA -1.238 57.062 58.000 0.500 0.000 0.921 312 F CB 1.600 40.774 39.000 0.289 0.000 1.209 312 F HN -0.165 nan 8.300 nan 0.000 0.462 313 Y N 1.550 122.090 120.300 0.399 0.000 2.470 313 Y HA 0.375 4.925 4.550 0.001 0.000 0.341 313 Y C -1.475 174.519 175.900 0.157 0.000 1.021 313 Y CA -0.920 57.202 58.100 0.037 0.000 1.025 313 Y CB 1.443 39.788 38.460 -0.191 0.000 1.266 313 Y HN 0.532 nan 8.280 nan 0.000 0.448 314 D N 5.194 125.452 120.400 -0.237 0.000 2.256 314 D HA 0.433 5.074 4.640 0.001 0.000 0.240 314 D C -1.101 175.202 176.300 0.005 0.000 1.062 314 D CA -0.166 53.871 54.000 0.062 0.000 0.832 314 D CB 2.548 43.378 40.800 0.050 0.000 1.135 314 D HN 0.239 nan 8.370 nan 0.000 0.484 315 V N 2.894 122.956 119.914 0.247 0.000 2.459 315 V HA 0.175 4.295 4.120 0.001 0.000 0.295 315 V C -0.006 176.172 176.094 0.140 0.000 1.029 315 V CA -0.847 61.582 62.300 0.215 0.000 0.874 315 V CB 2.144 34.113 31.823 0.244 0.000 0.985 315 V HN 0.398 nan 8.190 nan 0.000 0.438 316 D N 2.339 122.739 120.400 0.000 0.000 2.225 316 D HA 0.147 4.787 4.640 0.001 0.000 0.248 316 D C 0.468 176.657 176.300 -0.185 0.000 1.096 316 D CA -0.207 53.683 54.000 -0.182 0.000 0.863 316 D CB 1.866 42.313 40.800 -0.587 0.000 1.156 316 D HN 0.607 nan 8.370 nan 0.000 0.450 317 Y N 3.183 123.364 120.300 -0.199 0.000 2.151 317 Y HA -0.344 4.207 4.550 0.001 0.000 0.284 317 Y C 2.304 178.168 175.900 -0.061 0.000 1.166 317 Y CA 2.270 60.315 58.100 -0.091 0.000 1.163 317 Y CB -0.177 38.260 38.460 -0.039 0.000 0.974 317 Y HN 0.602 nan 8.280 nan 0.000 0.511 318 H N -2.458 116.657 119.070 0.074 0.000 2.423 318 H HA -0.044 4.512 4.556 0.001 0.000 0.297 318 H C 1.502 176.805 175.328 -0.043 0.000 1.075 318 H CA 1.550 57.591 56.048 -0.012 0.000 1.342 318 H CB -0.791 29.005 29.762 0.056 0.000 1.395 318 H HN 0.284 nan 8.280 nan 0.000 0.530 319 D N 0.209 120.646 120.400 0.061 0.000 2.234 319 D HA -0.058 4.583 4.640 0.001 0.000 0.205 319 D C 2.031 178.338 176.300 0.011 0.000 0.962 319 D CA 0.615 54.685 54.000 0.118 0.000 0.855 319 D CB 0.041 40.892 40.800 0.085 0.000 0.951 319 D HN 0.317 nan 8.370 nan 0.000 0.500 320 L N 1.032 122.214 121.223 -0.068 0.000 1.993 320 L HA -0.093 4.248 4.340 0.001 0.000 0.206 320 L C 2.054 178.848 176.870 -0.128 0.000 1.074 320 L CA 1.243 56.033 54.840 -0.082 0.000 0.746 320 L CB -0.655 41.346 42.059 -0.096 0.000 0.896 320 L HN -0.132 nan 8.230 nan 0.000 0.435 321 I N 0.597 121.008 120.570 -0.266 0.000 2.185 321 I HA -0.334 3.837 4.170 0.001 0.000 0.246 321 I C 2.706 178.760 176.117 -0.105 0.000 1.088 321 I CA 1.656 62.812 61.300 -0.241 0.000 1.347 321 I CB -1.904 35.876 38.000 -0.368 0.000 1.041 321 I HN 0.424 nan 8.210 nan 0.000 0.415 322 A N -0.404 122.377 122.820 -0.065 0.000 1.908 322 A HA -0.199 4.122 4.320 0.001 0.000 0.218 322 A C 0.946 178.521 177.584 -0.015 0.000 1.181 322 A CA 2.004 54.029 52.037 -0.021 0.000 0.627 322 A CB -0.342 18.664 19.000 0.011 0.000 0.818 322 A HN 0.484 nan 8.150 nan 0.000 0.445 323 D N -3.264 117.128 120.400 -0.015 0.000 2.337 323 D HA 0.355 4.995 4.640 0.001 0.000 0.238 323 D C -2.386 173.908 176.300 -0.009 0.000 1.331 323 D CA -1.387 52.608 54.000 -0.008 0.000 0.967 323 D CB 1.155 41.957 40.800 0.003 0.000 1.382 323 D HN -0.105 nan 8.370 nan 0.000 0.549 324 P HA -0.115 nan 4.420 nan 0.000 0.214 324 P C 1.664 178.960 177.300 -0.007 0.000 1.163 324 P CA 0.458 63.553 63.100 -0.008 0.000 0.883 324 P CB 0.314 32.009 31.700 -0.008 0.000 0.788 325 L N -1.038 120.174 121.223 -0.018 0.000 2.083 325 L HA -0.061 4.280 4.340 0.001 0.000 0.209 325 L C 2.463 179.313 176.870 -0.033 0.000 1.083 325 L CA 2.443 57.262 54.840 -0.035 0.000 0.752 325 L CB -2.202 39.832 42.059 -0.042 0.000 0.899 325 L HN 0.107 nan 8.230 nan 0.000 0.433 326 G N -1.102 107.689 108.800 -0.015 0.000 2.408 326 G HA2 -0.218 3.743 3.960 0.001 0.000 0.217 326 G HA3 -0.218 3.743 3.960 0.001 0.000 0.217 326 G C 1.613 176.519 174.900 0.010 0.000 1.150 326 G CA 1.130 46.228 45.100 -0.003 0.000 0.776 326 G HN 0.323 nan 8.290 nan 0.000 0.542 327 T N 0.900 115.465 114.554 0.018 0.000 2.737 327 T HA -0.100 4.251 4.350 0.001 0.000 0.265 327 T C 2.562 177.263 174.700 0.000 0.000 1.038 327 T CA 1.226 63.347 62.100 0.035 0.000 1.144 327 T CB -0.271 68.625 68.868 0.046 0.000 0.866 327 T HN 0.053 nan 8.240 nan 0.000 0.434 328 V N 1.794 121.713 119.914 0.007 0.000 2.407 328 V HA -0.167 3.954 4.120 0.001 0.000 0.248 328 V C 2.886 179.001 176.094 0.035 0.000 1.055 328 V CA 1.639 63.962 62.300 0.039 0.000 1.049 328 V CB -1.204 30.633 31.823 0.023 0.000 0.662 328 V HN 0.528 nan 8.190 nan 0.000 0.455 329 A N -0.124 122.673 122.820 -0.039 0.000 1.933 329 A HA -0.300 4.021 4.320 0.001 0.000 0.218 329 A C 2.035 179.634 177.584 0.025 0.000 1.175 329 A CA 2.227 54.235 52.037 -0.048 0.000 0.628 329 A CB -0.628 18.340 19.000 -0.053 0.000 0.814 329 A HN 0.579 nan 8.150 nan 0.000 0.444 330 D N -0.564 119.839 120.400 0.006 0.000 2.183 330 D HA -0.031 4.609 4.640 0.001 0.000 0.203 330 D C 1.719 177.934 176.300 -0.142 0.000 0.969 330 D CA 0.823 54.829 54.000 0.009 0.000 0.842 330 D CB -0.148 40.701 40.800 0.082 0.000 0.957 330 D HN 0.490 nan 8.370 nan 0.000 0.484 331 I N -0.366 120.016 120.570 -0.313 0.000 2.202 331 I HA -0.276 3.894 4.170 0.001 0.000 0.242 331 I C 1.650 177.689 176.117 -0.130 0.000 1.091 331 I CA 0.816 61.768 61.300 -0.581 0.000 1.368 331 I CB -0.259 37.522 38.000 -0.366 0.000 1.058 331 I HN 0.099 nan 8.210 nan 0.000 0.410 332 Y N 0.705 120.966 120.300 -0.064 0.000 2.181 332 Y HA -0.241 4.310 4.550 0.001 0.000 0.288 332 Y C 2.767 178.697 175.900 0.049 0.000 1.146 332 Y CA 1.503 59.638 58.100 0.059 0.000 1.164 332 Y CB -0.563 37.925 38.460 0.045 0.000 0.982 332 Y HN 0.056 nan 8.280 nan 0.000 0.515 333 R N -0.673 119.932 120.500 0.175 0.000 2.083 333 R HA -0.259 4.081 4.340 0.001 0.000 0.237 333 R C 2.151 178.507 176.300 0.094 0.000 1.137 333 R CA 2.088 58.260 56.100 0.120 0.000 0.951 333 R CB -0.663 29.696 30.300 0.098 0.000 0.851 333 R HN 0.428 nan 8.270 nan 0.000 0.434 334 H N -0.509 118.522 119.070 -0.064 0.000 2.353 334 H HA -0.155 4.401 4.556 0.001 0.000 0.298 334 H C 1.133 176.410 175.328 -0.085 0.000 1.103 334 H CA 2.319 58.296 56.048 -0.117 0.000 1.293 334 H CB -0.198 29.422 29.762 -0.237 0.000 1.372 334 H HN 0.209 nan 8.280 nan 0.000 0.501 335 F N -0.245 119.714 119.950 0.015 0.000 2.797 335 F HA 0.257 4.785 4.527 0.001 0.000 0.302 335 F C 1.885 177.652 175.800 -0.056 0.000 1.130 335 F CA 0.599 58.557 58.000 -0.070 0.000 1.387 335 F CB -0.241 38.722 39.000 -0.062 0.000 1.107 335 F HN 0.388 nan 8.300 nan 0.000 0.577 336 G N 1.188 110.064 108.800 0.126 0.000 2.221 336 G HA2 -0.288 3.672 3.960 0.001 0.000 0.265 336 G HA3 -0.288 3.672 3.960 0.001 0.000 0.265 336 G C -0.037 174.926 174.900 0.105 0.000 1.041 336 G CA -0.050 45.107 45.100 0.094 0.000 0.807 336 G HN 0.315 nan 8.290 nan 0.000 0.502 337 L N 0.135 121.441 121.223 0.138 0.000 2.334 337 L HA 0.567 4.908 4.340 0.001 0.000 0.275 337 L C 0.660 177.692 176.870 0.269 0.000 1.036 337 L CA -0.865 54.062 54.840 0.146 0.000 0.807 337 L CB 1.748 43.799 42.059 -0.014 0.000 1.231 337 L HN 0.082 nan 8.230 nan 0.000 0.438 338 T N 3.276 117.971 114.554 0.235 0.000 2.780 338 T HA 0.312 4.662 4.350 0.001 0.000 0.294 338 T C -0.286 174.552 174.700 0.230 0.000 0.949 338 T CA -0.258 61.955 62.100 0.188 0.000 1.074 338 T CB 1.050 69.978 68.868 0.101 0.000 0.910 338 T HN 0.192 nan 8.240 nan 0.000 0.501 339 L N 5.283 126.541 121.223 0.058 0.000 2.270 339 L HA 0.400 4.741 4.340 0.001 0.000 0.286 339 L C 0.668 177.455 176.870 -0.137 0.000 1.059 339 L CA -0.226 54.480 54.840 -0.223 0.000 0.839 339 L CB 0.032 41.809 42.059 -0.469 0.000 1.221 339 L HN 0.738 nan 8.230 nan 0.000 0.431 340 S N 2.116 117.754 115.700 -0.104 0.000 2.608 340 S HA 0.174 4.645 4.470 0.001 0.000 0.261 340 S C 0.763 175.305 174.600 -0.097 0.000 1.314 340 S CA -0.348 57.806 58.200 -0.077 0.000 0.992 340 S CB 0.655 63.821 63.200 -0.057 0.000 0.935 340 S HN 0.666 nan 8.310 nan 0.000 0.564 341 D N 1.106 121.463 120.400 -0.071 0.000 2.117 341 D HA -0.128 4.513 4.640 0.001 0.000 0.198 341 D C 2.120 178.376 176.300 -0.073 0.000 0.982 341 D CA 1.524 55.483 54.000 -0.068 0.000 0.828 341 D CB -0.270 40.500 40.800 -0.051 0.000 0.967 341 D HN 0.886 nan 8.370 nan 0.000 0.464 342 E N 1.709 121.867 120.200 -0.069 0.000 2.110 342 E HA -0.141 4.210 4.350 0.001 0.000 0.193 342 E C 2.057 178.606 176.600 -0.084 0.000 0.988 342 E CA 1.051 57.410 56.400 -0.070 0.000 0.804 342 E CB -0.327 29.334 29.700 -0.064 0.000 0.745 342 E HN 0.148 nan 8.360 nan 0.000 0.458 343 A N 2.088 124.845 122.820 -0.105 0.000 1.877 343 A HA -0.143 4.178 4.320 0.001 0.000 0.216 343 A C 2.371 179.878 177.584 -0.129 0.000 1.186 343 A CA 1.533 53.491 52.037 -0.131 0.000 0.620 343 A CB -0.509 18.382 19.000 -0.182 0.000 0.822 343 A HN 0.178 nan 8.150 nan 0.000 0.443 344 R N -0.791 119.627 120.500 -0.136 0.000 2.091 344 R HA -0.192 4.148 4.340 0.001 0.000 0.238 344 R C 2.572 178.822 176.300 -0.082 0.000 1.136 344 R CA 1.681 57.709 56.100 -0.120 0.000 0.959 344 R CB -0.385 29.847 30.300 -0.113 0.000 0.856 344 R HN 0.796 nan 8.270 nan 0.000 0.437 345 Q N 0.550 120.306 119.800 -0.072 0.000 2.050 345 Q HA -0.160 4.181 4.340 0.001 0.000 0.202 345 Q C 2.083 178.052 176.000 -0.052 0.000 0.980 345 Q CA 1.759 57.529 55.803 -0.056 0.000 0.840 345 Q CB -0.117 28.589 28.738 -0.054 0.000 0.898 345 Q HN 0.379 nan 8.270 nan 0.000 0.424 346 A N 0.508 123.293 122.820 -0.058 0.000 1.978 346 A HA -0.187 4.134 4.320 0.001 0.000 0.220 346 A C 2.023 179.584 177.584 -0.037 0.000 1.170 346 A CA 1.661 53.669 52.037 -0.049 0.000 0.636 346 A CB -0.504 18.463 19.000 -0.055 0.000 0.810 346 A HN 0.498 nan 8.150 nan 0.000 0.448 347 M N -0.310 119.263 119.600 -0.045 0.000 2.254 347 M HA -0.098 4.383 4.480 0.001 0.000 0.265 347 M C 2.296 178.581 176.300 -0.024 0.000 1.066 347 M CA 1.735 57.016 55.300 -0.031 0.000 1.123 347 M CB -0.518 32.053 32.600 -0.048 0.000 1.388 347 M HN 0.666 nan 8.290 nan 0.000 0.425 348 T N -2.457 112.078 114.554 -0.032 0.000 2.962 348 T HA -0.012 4.339 4.350 0.001 0.000 0.270 348 T C 0.956 175.647 174.700 -0.015 0.000 1.088 348 T CA 0.762 62.848 62.100 -0.024 0.000 1.127 348 T CB -0.670 68.181 68.868 -0.029 0.000 0.883 348 T HN 0.199 nan 8.240 nan 0.000 0.493 364 S N -0.010 115.762 115.700 0.121 0.000 2.624 364 S HA 0.457 4.928 4.470 0.001 0.000 0.263 364 S C -0.639 173.964 174.600 0.006 0.000 1.287 364 S CA -0.324 57.844 58.200 -0.053 0.000 0.990 364 S CB 0.022 63.172 63.200 -0.084 0.000 0.950 364 S HN 0.515 nan 8.310 nan 0.000 0.561 365 Y N -1.226 119.109 120.300 0.059 0.000 2.576 365 Y HA 0.827 5.377 4.550 0.001 0.000 0.346 365 Y C -0.311 175.638 175.900 0.080 0.000 1.018 365 Y CA -1.328 56.816 58.100 0.073 0.000 1.050 365 Y CB 0.950 39.496 38.460 0.143 0.000 1.280 365 Y HN 0.660 nan 8.280 nan 0.000 0.474 366 S N 1.173 117.042 115.700 0.282 0.000 2.651 366 S HA 0.475 4.946 4.470 0.001 0.000 0.279 366 S C -0.112 174.630 174.600 0.237 0.000 1.148 366 S CA -1.027 57.291 58.200 0.197 0.000 0.837 366 S CB 1.278 64.521 63.200 0.072 0.000 1.138 366 S HN 0.864 nan 8.310 nan 0.000 0.478 367 L N 0.878 122.218 121.223 0.196 0.000 2.131 367 L HA 0.003 4.344 4.340 0.001 0.000 0.210 367 L C 2.980 179.929 176.870 0.131 0.000 1.092 367 L CA 1.589 56.553 54.840 0.207 0.000 0.759 367 L CB -0.871 41.272 42.059 0.140 0.000 0.903 367 L HN 0.957 nan 8.230 nan 0.000 0.435 368 A N -0.234 122.619 122.820 0.055 0.000 1.972 368 A HA -0.232 4.089 4.320 0.001 0.000 0.219 368 A C 1.842 179.371 177.584 -0.091 0.000 1.169 368 A CA 1.825 53.862 52.037 0.000 0.000 0.635 368 A CB -0.457 18.541 19.000 -0.003 0.000 0.810 368 A HN 0.362 nan 8.150 nan 0.000 0.446 369 D N -1.410 118.864 120.400 -0.210 0.000 2.263 369 D HA -0.127 4.514 4.640 0.001 0.000 0.208 369 D C 0.245 176.103 176.300 -0.738 0.000 0.971 369 D CA 1.175 54.870 54.000 -0.508 0.000 0.867 369 D CB -0.198 40.155 40.800 -0.744 0.000 0.929 369 D HN 0.679 nan 8.370 nan 0.000 0.492 370 Y N -0.722 119.573 120.300 -0.008 0.000 2.720 370 Y HA 0.390 4.941 4.550 0.001 0.000 0.277 370 Y C 1.575 177.471 175.900 -0.007 0.000 1.144 370 Y CA -0.409 57.674 58.100 -0.028 0.000 1.221 370 Y CB 0.544 38.981 38.460 -0.038 0.000 1.163 370 Y HN -0.082 nan 8.280 nan 0.000 0.537 371 G N 0.918 109.744 108.800 0.042 0.000 2.225 371 G HA2 -0.282 3.679 3.960 0.001 0.000 0.267 371 G HA3 -0.282 3.679 3.960 0.001 0.000 0.267 371 G C -0.280 174.665 174.900 0.074 0.000 1.024 371 G CA 0.404 45.532 45.100 0.046 0.000 0.784 371 G HN 0.355 nan 8.290 nan 0.000 0.507 372 L N -0.336 120.945 121.223 0.097 0.000 2.323 372 L HA 0.872 5.213 4.340 0.001 0.000 0.265 372 L C 0.662 177.584 176.870 0.086 0.000 1.012 372 L CA -0.572 54.330 54.840 0.103 0.000 0.820 372 L CB 2.361 44.503 42.059 0.137 0.000 1.334 372 L HN 0.318 nan 8.230 nan 0.000 0.427 373 T N -2.760 111.843 114.554 0.081 0.000 2.924 373 T HA 0.279 4.629 4.350 0.001 0.000 0.291 373 T C 0.567 175.313 174.700 0.077 0.000 1.045 373 T CA -0.597 61.544 62.100 0.069 0.000 1.015 373 T CB 2.059 70.961 68.868 0.056 0.000 1.103 373 T HN 0.298 nan 8.240 nan 0.000 0.496 374 V N 0.963 120.916 119.914 0.067 0.000 2.490 374 V HA -0.103 4.017 4.120 0.001 0.000 0.250 374 V C 2.246 178.383 176.094 0.072 0.000 1.061 374 V CA 2.205 64.545 62.300 0.066 0.000 1.064 374 V CB -0.935 30.919 31.823 0.053 0.000 0.670 374 V HN 0.958 nan 8.190 nan 0.000 0.461 375 E N -0.192 120.046 120.200 0.064 0.000 2.077 375 E HA -0.209 4.142 4.350 0.001 0.000 0.193 375 E C 2.125 178.772 176.600 0.078 0.000 0.989 375 E CA 1.964 58.402 56.400 0.063 0.000 0.800 375 E CB -0.400 29.330 29.700 0.050 0.000 0.746 375 E HN 0.604 nan 8.360 nan 0.000 0.452 376 M N -0.239 119.411 119.600 0.084 0.000 2.117 376 M HA -0.164 4.317 4.480 0.001 0.000 0.262 376 M C 2.084 178.471 176.300 0.145 0.000 1.065 376 M CA 1.088 56.447 55.300 0.098 0.000 1.114 376 M CB -0.148 32.509 32.600 0.095 0.000 1.361 376 M HN 0.026 nan 8.290 nan 0.000 0.408 377 V N 0.267 120.281 119.914 0.167 0.000 2.358 377 V HA -0.242 3.879 4.120 0.001 0.000 0.246 377 V C 2.138 178.407 176.094 0.291 0.000 1.047 377 V CA 1.704 64.160 62.300 0.261 0.000 1.035 377 V CB -0.743 31.173 31.823 0.155 0.000 0.658 377 V HN 0.433 nan 8.190 nan 0.000 0.452 378 K N 0.049 120.552 120.400 0.172 0.000 2.097 378 K HA -0.241 4.080 4.320 0.001 0.000 0.206 378 K C 2.194 178.883 176.600 0.148 0.000 1.049 378 K CA 1.733 58.111 56.287 0.152 0.000 0.933 378 K CB -0.104 32.453 32.500 0.095 0.000 0.717 378 K HN 0.509 nan 8.250 nan 0.000 0.442 379 E N 1.275 121.547 120.200 0.119 0.000 2.028 379 E HA -0.195 4.156 4.350 0.001 0.000 0.191 379 E C 2.002 178.634 176.600 0.053 0.000 0.988 379 E CA 1.269 57.715 56.400 0.076 0.000 0.799 379 E CB -0.025 29.710 29.700 0.058 0.000 0.755 379 E HN -0.020 nan 8.360 nan 0.000 0.447 380 R N -0.684 119.851 120.500 0.057 0.000 2.120 380 R HA -0.021 4.320 4.340 0.001 0.000 0.234 380 R C 1.049 177.170 176.300 -0.299 0.000 1.123 380 R CA 1.368 57.401 56.100 -0.111 0.000 0.975 380 R CB -0.456 29.772 30.300 -0.120 0.000 0.866 380 R HN 0.283 nan 8.270 nan 0.000 0.446 381 F N 0.226 120.208 119.950 0.054 0.000 2.668 381 F HA 0.456 4.984 4.527 0.001 0.000 0.297 381 F C 0.493 176.320 175.800 0.045 0.000 1.124 381 F CA -0.250 57.783 58.000 0.056 0.000 1.353 381 F CB -0.088 38.950 39.000 0.063 0.000 0.992 381 F HN -0.031 nan 8.300 nan 0.000 0.524 382 A N 0.350 123.241 122.820 0.118 0.000 2.548 382 A HA 0.384 4.705 4.320 0.001 0.000 0.247 382 A C 1.581 179.207 177.584 0.070 0.000 1.067 382 A CA 0.820 52.908 52.037 0.086 0.000 0.757 382 A CB -0.714 18.314 19.000 0.048 0.000 0.996 382 A HN 0.983 nan 8.150 nan 0.000 0.504 383 G N 1.250 110.093 108.800 0.072 0.000 2.184 383 G HA2 -0.224 3.737 3.960 0.001 0.000 0.264 383 G HA3 -0.224 3.737 3.960 0.001 0.000 0.264 383 G C 0.115 175.063 174.900 0.080 0.000 0.975 383 G CA 0.745 45.878 45.100 0.055 0.000 0.642 383 G HN 0.799 nan 8.290 nan 0.000 0.536 384 L N 0.000 121.305 121.223 0.137 0.000 2.949 384 L HA 0.000 4.341 4.340 0.001 0.000 0.249 384 L CA 0.000 54.956 54.840 0.193 0.000 0.813 384 L CB 0.000 42.211 42.059 0.253 0.000 0.961 384 L HN 0.000 nan 8.230 nan 0.000 0.502