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 3eo7_1_A DATA FIRST_RESID 5 DATA SEQUENCE HQSIAQHYHE RTKYDPETIA SKXXRLDWAK QPVPFKEYKI GSAIDLKPYL DATA SEQUENCE QETPXXXXXD TNGQWWQRLS RLLFRSYGLT ARXPSXGNTV YLRAAPSAGG DATA SEQUENCE LYPAEVYVVS RGTPLLSPGL YNYQCRTHSL IHYWESDVWQ SLQEACFWHP DATA SEQUENCE ALESTQLAII VTAVFYRSAW RYEDRAYRRI CLDTGHLLGN IELSAAITDY DATA SEQUENCE RPHLIGGFID EAVNDLLYID PLQEGAIAVL PLADLLDIQQ NISPGCTALP DATA SEQUENCE SATETNYPQV PDGELLKYFH HHTQISASIT GXXXXXXXXX XXXLEDKYNF DATA SEQUENCE PFCLKISTVS APIYWGENLS DLEITXHKRR STRAYNGEEL TFDELKALLD DATA SEQUENCE FTYQPQNYID QSLDNSPDYF DLNLIETFIA VCGVQGLEAG CYYYAPKAQE DATA SEQUENCE LRQIRFKNFR RELHFLCLGQ ELGRDAAAVI FHTSDLKSAI AQYGDRVYRY DATA SEQUENCE LHXDAGHLGQ RLNLAAIQLN LGVSGIGGFF DDQVNEVLGI PNDEAVIYIT DATA SEQUENCE TLGRPR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 H HA 0.000 nan 4.556 nan 0.000 0.296 5 H C 0.000 175.375 175.328 0.078 0.000 0.993 5 H CA 0.000 56.067 56.048 0.031 0.000 1.023 5 H CB 0.000 29.755 29.762 -0.011 0.000 1.292 6 Q N 1.769 121.531 119.800 -0.064 0.000 2.395 6 Q HA 0.241 4.580 4.340 -0.002 0.000 0.271 6 Q C 0.410 176.675 176.000 0.441 0.000 1.026 6 Q CA 0.273 56.167 55.803 0.152 0.000 0.900 6 Q CB 0.998 29.792 28.738 0.094 0.000 1.266 6 Q HN 0.635 nan 8.270 nan 0.000 0.430 7 S N 0.605 116.502 115.700 0.328 0.000 2.730 7 S HA 0.206 4.675 4.470 -0.002 0.000 0.284 7 S C 0.859 175.598 174.600 0.231 0.000 1.153 7 S CA -0.731 57.677 58.200 0.347 0.000 0.995 7 S CB 0.697 64.040 63.200 0.238 0.000 1.058 7 S HN 0.656 nan 8.310 nan 0.000 0.552 8 I N 1.215 121.875 120.570 0.150 0.000 2.361 8 I HA -0.031 4.138 4.170 -0.002 0.000 0.251 8 I C 2.386 178.445 176.117 -0.097 0.000 1.133 8 I CA 1.757 62.983 61.300 -0.125 0.000 1.413 8 I CB -1.183 36.871 38.000 0.091 0.000 1.073 8 I HN 0.842 nan 8.210 nan 0.000 0.424 9 A N -0.497 122.384 122.820 0.103 0.000 1.933 9 A HA -0.250 4.068 4.320 -0.002 0.000 0.218 9 A C 2.228 179.781 177.584 -0.052 0.000 1.175 9 A CA 1.779 53.804 52.037 -0.020 0.000 0.628 9 A CB -0.662 18.532 19.000 0.324 0.000 0.814 9 A HN 0.611 nan 8.150 nan 0.000 0.444 10 Q N -1.662 118.186 119.800 0.079 0.000 2.084 10 Q HA -0.219 4.120 4.340 -0.002 0.000 0.202 10 Q C 2.082 178.112 176.000 0.050 0.000 0.978 10 Q CA 1.726 57.598 55.803 0.115 0.000 0.844 10 Q CB -0.314 28.506 28.738 0.138 0.000 0.898 10 Q HN 0.918 nan 8.270 nan 0.000 0.426 11 H N -0.240 118.736 119.070 -0.156 0.000 2.321 11 H HA -0.200 4.355 4.556 -0.002 0.000 0.300 11 H C 1.806 176.929 175.328 -0.341 0.000 1.087 11 H CA 1.881 57.776 56.048 -0.256 0.000 1.319 11 H CB -0.370 29.077 29.762 -0.525 0.000 1.379 11 H HN 0.322 nan 8.280 nan 0.000 0.501 12 Y N 0.153 120.109 120.300 -0.573 0.000 2.081 12 Y HA -0.330 4.218 4.550 -0.002 0.000 0.280 12 Y C 2.731 178.319 175.900 -0.520 0.000 1.163 12 Y CA 2.474 60.110 58.100 -0.773 0.000 1.135 12 Y CB -0.838 36.714 38.460 -1.514 0.000 0.970 12 Y HN 0.440 nan 8.280 nan 0.000 0.498 13 H N -0.308 118.505 119.070 -0.429 0.000 2.319 13 H HA -0.146 4.408 4.556 -0.002 0.000 0.299 13 H C 2.199 177.384 175.328 -0.238 0.000 1.092 13 H CA 2.158 58.114 56.048 -0.153 0.000 1.302 13 H CB -0.258 29.626 29.762 0.202 0.000 1.373 13 H HN 0.440 nan 8.280 nan 0.000 0.497 14 E N 0.646 120.733 120.200 -0.189 0.000 2.058 14 E HA -0.144 4.205 4.350 -0.002 0.000 0.194 14 E C 2.181 178.560 176.600 -0.368 0.000 0.997 14 E CA 1.367 57.638 56.400 -0.215 0.000 0.801 14 E CB -0.105 29.520 29.700 -0.126 0.000 0.746 14 E HN 0.412 nan 8.360 nan 0.000 0.450 15 R N -0.742 119.439 120.500 -0.531 0.000 2.285 15 R HA -0.032 4.306 4.340 -0.002 0.000 0.213 15 R C 1.454 177.418 176.300 -0.561 0.000 1.068 15 R CA 1.514 57.284 56.100 -0.551 0.000 1.004 15 R CB -0.127 29.770 30.300 -0.673 0.000 0.873 15 R HN 0.336 nan 8.270 nan 0.000 0.467 16 T N -2.987 111.169 114.554 -0.664 0.000 3.085 16 T HA 0.216 4.565 4.350 -0.002 0.000 0.264 16 T C 0.455 174.781 174.700 -0.623 0.000 1.019 16 T CA -0.463 61.244 62.100 -0.656 0.000 0.910 16 T CB 0.440 68.843 68.868 -0.775 0.000 1.059 16 T HN -0.073 nan 8.240 nan 0.000 0.542 17 K N 0.960 121.045 120.400 -0.525 0.000 2.230 17 K HA 0.355 4.674 4.320 -0.002 0.000 0.253 17 K C -1.015 175.328 176.600 -0.429 0.000 1.008 17 K CA -0.306 55.737 56.287 -0.408 0.000 0.910 17 K CB 0.366 32.733 32.500 -0.222 0.000 0.994 17 K HN 0.223 nan 8.250 nan 0.000 0.495 18 Y N 0.230 120.443 120.300 -0.146 0.000 2.360 18 Y HA 0.157 4.705 4.550 -0.002 0.000 0.337 18 Y C -0.025 176.003 175.900 0.213 0.000 1.039 18 Y CA -0.547 57.546 58.100 -0.011 0.000 1.109 18 Y CB 1.467 39.848 38.460 -0.132 0.000 1.201 18 Y HN 0.510 nan 8.280 nan 0.000 0.458 19 D N 3.891 124.500 120.400 0.349 0.000 2.502 19 D HA 0.338 4.977 4.640 -0.002 0.000 0.249 19 D C -2.288 174.058 176.300 0.076 0.000 1.092 19 D CA -2.775 51.332 54.000 0.178 0.000 0.839 19 D CB 2.413 43.249 40.800 0.062 0.000 1.264 19 D HN 0.130 nan 8.370 nan 0.000 0.511 20 P HA -0.095 nan 4.420 nan 0.000 0.219 20 P C 0.943 178.179 177.300 -0.108 0.000 1.146 20 P CA 0.718 63.527 63.100 -0.486 0.000 0.808 20 P CB 0.387 31.748 31.700 -0.564 0.000 0.779 21 E N -1.253 118.911 120.200 -0.061 0.000 2.274 21 E HA -0.073 4.276 4.350 -0.002 0.000 0.194 21 E C 1.832 178.436 176.600 0.006 0.000 0.996 21 E CA 1.649 58.036 56.400 -0.021 0.000 0.840 21 E CB -1.299 28.389 29.700 -0.021 0.000 0.772 21 E HN 0.608 nan 8.360 nan 0.000 0.491 22 T N -3.046 111.526 114.554 0.029 0.000 3.004 22 T HA 0.294 4.642 4.350 -0.002 0.000 0.266 22 T C 1.675 176.419 174.700 0.073 0.000 0.986 22 T CA -0.122 62.001 62.100 0.037 0.000 0.902 22 T CB -0.208 68.671 68.868 0.018 0.000 1.118 22 T HN 0.251 nan 8.240 nan 0.000 0.522 23 I N 1.700 122.351 120.570 0.135 0.000 2.286 23 I HA -0.059 4.109 4.170 -0.002 0.000 0.248 23 I C 2.659 178.840 176.117 0.106 0.000 1.115 23 I CA 1.431 62.841 61.300 0.183 0.000 1.392 23 I CB -0.277 37.909 38.000 0.311 0.000 1.065 23 I HN 0.392 nan 8.210 nan 0.000 0.418 24 A N 0.084 122.952 122.820 0.080 0.000 1.969 24 A HA -0.207 4.112 4.320 -0.002 0.000 0.218 24 A C 2.374 179.977 177.584 0.031 0.000 1.169 24 A CA 1.771 53.838 52.037 0.050 0.000 0.635 24 A CB -0.858 18.168 19.000 0.042 0.000 0.810 24 A HN 0.609 nan 8.150 nan 0.000 0.445 25 S N -1.012 114.704 115.700 0.028 0.000 2.555 25 S HA 0.234 4.703 4.470 -0.002 0.000 0.230 25 S C 1.083 175.685 174.600 0.005 0.000 0.978 25 S CA 0.995 59.202 58.200 0.012 0.000 0.934 25 S CB -0.763 62.441 63.200 0.006 0.000 0.766 25 S HN 0.812 nan 8.310 nan 0.000 0.533 30 L N 2.860 123.762 121.223 -0.535 0.000 2.426 30 L HA 0.181 4.519 4.340 -0.002 0.000 0.271 30 L C 0.467 176.926 176.870 -0.685 0.000 1.169 30 L CA -0.111 54.179 54.840 -0.917 0.000 0.836 30 L CB 0.613 41.724 42.059 -1.581 0.000 1.112 30 L HN 0.541 nan 8.230 nan 0.000 0.465 31 D N 1.945 122.126 120.400 -0.366 0.000 2.522 31 D HA 0.057 4.696 4.640 -0.002 0.000 0.218 31 D C 0.609 177.087 176.300 0.297 0.000 1.149 31 D CA -0.266 53.751 54.000 0.028 0.000 0.981 31 D CB 0.291 41.186 40.800 0.159 0.000 1.041 31 D HN 0.308 nan 8.370 nan 0.000 0.518 32 W N 2.999 124.510 121.300 0.352 0.000 2.342 32 W HA -0.172 4.487 4.660 -0.003 0.000 0.297 32 W C 2.418 179.044 176.519 0.178 0.000 1.213 32 W CA 0.871 58.407 57.345 0.319 0.000 1.251 32 W CB -0.585 28.993 29.460 0.197 0.000 1.136 32 W HN 0.484 nan 8.180 nan 0.000 0.526 33 A N 0.447 123.487 122.820 0.366 0.000 2.042 33 A HA -0.230 4.089 4.320 -0.002 0.000 0.222 33 A C 1.816 179.501 177.584 0.168 0.000 1.167 33 A CA 1.788 53.955 52.037 0.217 0.000 0.649 33 A CB -0.547 18.555 19.000 0.170 0.000 0.809 33 A HN 0.379 nan 8.150 nan 0.000 0.457 34 K N -0.743 119.786 120.400 0.214 0.000 2.399 34 K HA 0.110 4.428 4.320 -0.002 0.000 0.204 34 K C 0.346 176.901 176.600 -0.075 0.000 1.023 34 K CA -0.235 56.156 56.287 0.175 0.000 1.127 34 K CB 0.312 33.017 32.500 0.341 0.000 0.856 34 K HN 0.624 nan 8.250 nan 0.000 0.514 35 Q N 2.677 122.295 119.800 -0.303 0.000 2.264 35 Q HA 0.010 4.348 4.340 -0.002 0.000 0.296 35 Q C -2.345 173.302 176.000 -0.589 0.000 1.103 35 Q CA -1.261 53.933 55.803 -1.016 0.000 0.967 35 Q CB 0.449 28.842 28.738 -0.575 0.000 1.090 35 Q HN -0.073 nan 8.270 nan 0.000 0.379 36 P HA 0.009 nan 4.420 nan 0.000 0.272 36 P C -1.210 175.974 177.300 -0.195 0.000 1.223 36 P CA -0.287 62.667 63.100 -0.243 0.000 0.784 36 P CB 0.698 32.303 31.700 -0.159 0.000 0.923 37 V N 4.905 124.769 119.914 -0.083 0.000 2.385 37 V HA 0.206 4.324 4.120 -0.002 0.000 0.269 37 V C -1.486 174.535 176.094 -0.122 0.000 1.043 37 V CA -1.088 61.192 62.300 -0.034 0.000 0.906 37 V CB 1.012 32.885 31.823 0.082 0.000 0.995 37 V HN 0.605 nan 8.190 nan 0.000 0.467 38 P HA 0.312 nan 4.420 nan 0.000 0.220 38 P C -0.890 175.948 177.300 -0.769 0.000 1.793 38 P CA 0.058 62.873 63.100 -0.474 0.000 0.917 38 P CB -0.381 31.085 31.700 -0.389 0.000 1.755 39 F N -0.662 119.294 119.950 0.010 0.000 2.613 39 F HA 0.449 4.975 4.527 -0.002 0.000 0.310 39 F C 0.567 176.355 175.800 -0.020 0.000 1.085 39 F CA -1.086 56.904 58.000 -0.016 0.000 0.945 39 F CB 1.926 40.897 39.000 -0.049 0.000 1.298 39 F HN -0.370 nan 8.300 nan 0.000 0.455 40 K N 1.552 122.052 120.400 0.167 0.000 2.130 40 K HA 0.433 4.752 4.320 -0.002 0.000 0.268 40 K C -0.754 175.846 176.600 0.000 0.000 0.983 40 K CA -0.923 55.381 56.287 0.028 0.000 0.893 40 K CB 1.360 33.859 32.500 -0.002 0.000 1.066 40 K HN 0.461 nan 8.250 nan 0.000 0.450 41 E N 2.174 122.281 120.200 -0.155 0.000 2.191 41 E HA 0.252 4.601 4.350 -0.002 0.000 0.278 41 E C -1.036 175.352 176.600 -0.354 0.000 0.972 41 E CA -0.514 55.813 56.400 -0.121 0.000 0.804 41 E CB 1.178 30.829 29.700 -0.081 0.000 1.110 41 E HN 0.381 nan 8.360 nan 0.000 0.394 42 Y N 0.157 120.444 120.300 -0.022 0.000 2.350 42 Y HA 0.323 4.871 4.550 -0.003 0.000 0.338 42 Y C 1.199 177.099 175.900 0.000 0.000 0.961 42 Y CA -0.489 57.600 58.100 -0.019 0.000 1.100 42 Y CB 1.617 40.074 38.460 -0.005 0.000 1.179 42 Y HN 0.591 nan 8.280 nan 0.000 0.454 43 K N 3.381 123.847 120.400 0.111 0.000 2.356 43 K HA 0.337 4.656 4.320 -0.002 0.000 0.195 43 K C 0.227 176.883 176.600 0.093 0.000 1.037 43 K CA 1.192 57.523 56.287 0.072 0.000 1.014 43 K CB -0.130 32.388 32.500 0.030 0.000 0.815 43 K HN 0.726 nan 8.250 nan 0.000 0.507 44 I N -4.287 116.368 120.570 0.142 0.000 2.466 44 I HA 0.816 4.985 4.170 -0.002 0.000 0.289 44 I C 0.001 176.205 176.117 0.144 0.000 1.026 44 I CA -0.889 60.483 61.300 0.119 0.000 1.078 44 I CB 2.063 40.127 38.000 0.107 0.000 1.249 44 I HN 0.261 nan 8.210 nan 0.000 0.429 45 G N 3.252 112.099 108.800 0.079 0.000 2.326 45 G HA2 0.116 4.074 3.960 -0.002 0.000 0.413 45 G HA3 0.116 4.074 3.960 -0.002 0.000 0.413 45 G C -1.305 173.621 174.900 0.042 0.000 1.444 45 G CA -0.906 44.222 45.100 0.047 0.000 1.002 45 G HN 0.714 nan 8.290 nan 0.000 0.649 46 S N -0.176 115.548 115.700 0.040 0.000 2.513 46 S HA 0.715 5.184 4.470 -0.002 0.000 0.276 46 S C 0.661 175.320 174.600 0.098 0.000 1.254 46 S CA 0.263 58.504 58.200 0.069 0.000 1.053 46 S CB 1.488 64.746 63.200 0.095 0.000 0.958 46 S HN 1.707 nan 8.310 nan 0.000 0.491 47 A N 3.720 126.579 122.820 0.065 0.000 2.301 47 A HA 0.631 4.950 4.320 -0.002 0.000 0.298 47 A C -0.231 177.379 177.584 0.042 0.000 1.185 47 A CA -0.611 51.460 52.037 0.057 0.000 0.830 47 A CB -0.006 19.007 19.000 0.022 0.000 1.112 47 A HN 0.845 nan 8.150 nan 0.000 0.508 48 I N 2.564 123.166 120.570 0.054 0.000 2.328 48 I HA 0.158 4.327 4.170 -0.002 0.000 0.287 48 I C -0.493 175.591 176.117 -0.056 0.000 1.012 48 I CA -0.584 60.703 61.300 -0.021 0.000 1.195 48 I CB 1.443 39.435 38.000 -0.012 0.000 1.350 48 I HN 0.601 nan 8.210 nan 0.000 0.464 49 D N 6.795 127.146 120.400 -0.081 0.000 2.343 49 D HA 0.174 4.813 4.640 -0.002 0.000 0.255 49 D C 0.567 176.833 176.300 -0.058 0.000 1.187 49 D CA 0.116 54.071 54.000 -0.075 0.000 0.875 49 D CB 1.248 42.001 40.800 -0.079 0.000 1.136 49 D HN 0.446 nan 8.370 nan 0.000 0.469 50 L N 3.502 124.674 121.223 -0.085 0.000 2.567 50 L HA 0.108 4.447 4.340 -0.002 0.000 0.225 50 L C 2.178 179.124 176.870 0.127 0.000 1.119 50 L CA 0.008 54.840 54.840 -0.013 0.000 0.871 50 L CB 0.060 41.897 42.059 -0.371 0.000 1.036 50 L HN 0.317 nan 8.230 nan 0.000 0.459 51 K N 0.750 121.198 120.400 0.080 0.000 2.063 51 K HA -0.148 4.170 4.320 -0.002 0.000 0.208 51 K C -0.530 176.019 176.600 -0.085 0.000 1.048 51 K CA 1.299 57.626 56.287 0.066 0.000 0.928 51 K CB -1.034 31.464 32.500 -0.003 0.000 0.713 51 K HN 0.237 nan 8.250 nan 0.000 0.442 52 P HA -0.151 nan 4.420 nan 0.000 0.223 52 P C 0.281 177.275 177.300 -0.511 0.000 1.144 52 P CA 1.221 64.057 63.100 -0.441 0.000 0.783 52 P CB 0.008 31.309 31.700 -0.666 0.000 0.771 53 Y N -2.516 117.774 120.300 -0.016 0.000 2.458 53 Y HA 0.274 4.823 4.550 -0.003 0.000 0.256 53 Y C 0.948 176.849 175.900 0.001 0.000 1.159 53 Y CA -0.494 57.614 58.100 0.012 0.000 1.261 53 Y CB -0.089 38.406 38.460 0.059 0.000 1.119 53 Y HN -0.166 nan 8.280 nan 0.000 0.524 54 L N 2.816 124.077 121.223 0.063 0.000 2.449 54 L HA 0.301 4.640 4.340 -0.002 0.000 0.255 54 L C 0.046 176.861 176.870 -0.092 0.000 1.167 54 L CA 0.099 54.914 54.840 -0.041 0.000 1.090 54 L CB -0.749 41.203 42.059 -0.180 0.000 1.385 54 L HN 0.365 nan 8.230 nan 0.000 0.411 55 Q N 0.774 120.546 119.800 -0.046 0.000 2.922 55 Q HA 0.584 4.923 4.340 -0.002 0.000 0.347 55 Q C -0.536 175.442 176.000 -0.036 0.000 0.889 55 Q CA -0.794 54.976 55.803 -0.056 0.000 0.771 55 Q CB 1.213 29.920 28.738 -0.052 0.000 2.894 55 Q HN 0.287 nan 8.270 nan 0.000 0.301 56 E N -0.120 120.065 120.200 -0.025 0.000 4.286 56 E HA 0.474 4.822 4.350 -0.002 0.000 0.240 56 E C -0.848 175.752 176.600 0.001 0.000 1.038 56 E CA -0.033 56.359 56.400 -0.014 0.000 1.074 56 E CB 1.550 31.238 29.700 -0.020 0.000 2.386 56 E HN 0.702 nan 8.360 nan 0.000 0.487 57 T N 0.334 114.887 114.554 -0.000 0.000 2.830 57 T HA 0.508 4.857 4.350 -0.002 0.000 0.322 57 T C -2.659 172.043 174.700 0.003 0.000 1.501 57 T CA -1.245 60.859 62.100 0.008 0.000 1.036 57 T CB 0.727 69.602 68.868 0.012 0.000 1.379 57 T HN 0.119 nan 8.240 nan 0.000 0.493 65 T N 1.079 115.682 114.554 0.081 0.000 2.821 65 T HA -0.109 4.239 4.350 -0.002 0.000 0.267 65 T C 1.425 176.197 174.700 0.120 0.000 1.046 65 T CA 0.989 63.137 62.100 0.080 0.000 1.139 65 T CB -0.111 68.784 68.868 0.044 0.000 0.871 65 T HN 0.292 nan 8.240 nan 0.000 0.454 66 N N 2.038 120.818 118.700 0.135 0.000 2.142 66 N HA 0.030 4.769 4.740 -0.002 0.000 0.186 66 N C 2.258 177.955 175.510 0.311 0.000 1.023 66 N CA 1.454 54.624 53.050 0.200 0.000 0.852 66 N CB -1.132 37.483 38.487 0.214 0.000 0.998 66 N HN 0.622 nan 8.380 nan 0.000 0.424 67 G N 0.988 109.958 108.800 0.283 0.000 2.422 67 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.218 67 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.218 67 G C 1.482 176.515 174.900 0.221 0.000 1.146 67 G CA 0.490 45.783 45.100 0.321 0.000 0.769 67 G HN 0.361 nan 8.290 nan 0.000 0.547 68 Q N -1.246 118.653 119.800 0.166 0.000 2.124 68 Q HA -0.142 4.197 4.340 -0.002 0.000 0.202 68 Q C 2.168 178.203 176.000 0.058 0.000 0.977 68 Q CA 1.271 57.137 55.803 0.106 0.000 0.850 68 Q CB -0.211 28.580 28.738 0.089 0.000 0.901 68 Q HN 0.681 nan 8.270 nan 0.000 0.429 69 W N -0.037 121.220 121.300 -0.071 0.000 2.379 69 W HA -0.166 4.492 4.660 -0.003 0.000 0.307 69 W C 1.203 177.574 176.519 -0.246 0.000 1.200 69 W CA 1.125 58.359 57.345 -0.185 0.000 1.297 69 W CB -0.499 28.776 29.460 -0.308 0.000 1.140 69 W HN 0.123 nan 8.180 nan 0.000 0.507 70 W N 0.645 121.740 121.300 -0.340 0.000 2.363 70 W HA -0.197 4.462 4.660 -0.002 0.000 0.296 70 W C 2.584 178.747 176.519 -0.594 0.000 1.212 70 W CA 1.725 58.631 57.345 -0.732 0.000 1.260 70 W CB -0.831 27.899 29.460 -1.217 0.000 1.131 70 W HN -0.018 nan 8.180 nan 0.000 0.530 71 Q N 0.001 119.741 119.800 -0.101 0.000 2.096 71 Q HA -0.209 4.130 4.340 -0.002 0.000 0.204 71 Q C 2.155 178.105 176.000 -0.083 0.000 0.982 71 Q CA 1.648 57.473 55.803 0.036 0.000 0.850 71 Q CB -0.320 28.472 28.738 0.090 0.000 0.901 71 Q HN 0.358 nan 8.270 nan 0.000 0.422 72 R N 0.003 120.372 120.500 -0.218 0.000 2.066 72 R HA -0.138 4.200 4.340 -0.002 0.000 0.232 72 R C 2.277 178.398 176.300 -0.299 0.000 1.131 72 R CA 1.061 57.037 56.100 -0.206 0.000 0.955 72 R CB -0.406 29.785 30.300 -0.181 0.000 0.851 72 R HN 0.158 nan 8.270 nan 0.000 0.432 73 L N 0.564 121.422 121.223 -0.608 0.000 2.056 73 L HA -0.130 4.209 4.340 -0.002 0.000 0.207 73 L C 2.350 179.078 176.870 -0.235 0.000 1.078 73 L CA 1.808 56.307 54.840 -0.568 0.000 0.749 73 L CB -0.663 40.850 42.059 -0.910 0.000 0.901 73 L HN 0.070 nan 8.230 nan 0.000 0.433 74 S N -0.634 115.007 115.700 -0.097 0.000 2.356 74 S HA -0.267 4.202 4.470 -0.002 0.000 0.223 74 S C 2.344 177.087 174.600 0.238 0.000 1.032 74 S CA 1.599 59.894 58.200 0.158 0.000 1.005 74 S CB -0.376 62.983 63.200 0.264 0.000 0.867 74 S HN 0.557 nan 8.310 nan 0.000 0.449 75 R N 0.200 120.761 120.500 0.102 0.000 2.075 75 R HA 0.020 4.358 4.340 -0.002 0.000 0.232 75 R C 2.543 178.879 176.300 0.060 0.000 1.126 75 R CA 1.427 57.586 56.100 0.098 0.000 0.963 75 R CB -0.506 29.821 30.300 0.045 0.000 0.858 75 R HN 0.546 nan 8.270 nan 0.000 0.435 76 L N 0.856 122.058 121.223 -0.034 0.000 2.012 76 L HA -0.198 4.140 4.340 -0.002 0.000 0.210 76 L C 2.103 178.909 176.870 -0.106 0.000 1.073 76 L CA 1.444 56.227 54.840 -0.094 0.000 0.748 76 L CB -0.149 41.791 42.059 -0.199 0.000 0.891 76 L HN 0.284 nan 8.230 nan 0.000 0.431 77 L N -1.653 119.501 121.223 -0.114 0.000 2.072 77 L HA -0.207 4.132 4.340 -0.002 0.000 0.205 77 L C 2.412 179.209 176.870 -0.122 0.000 1.079 77 L CA 1.066 55.752 54.840 -0.257 0.000 0.752 77 L CB -0.540 41.239 42.059 -0.468 0.000 0.906 77 L HN 0.247 nan 8.230 nan 0.000 0.436 78 F N 0.727 120.663 119.950 -0.024 0.000 2.134 78 F HA -0.152 4.374 4.527 -0.002 0.000 0.299 78 F C 2.660 178.445 175.800 -0.025 0.000 1.097 78 F CA 1.398 59.359 58.000 -0.066 0.000 1.264 78 F CB -0.123 38.703 39.000 -0.291 0.000 1.001 78 F HN -0.109 nan 8.300 nan 0.000 0.479 79 R N -0.319 120.156 120.500 -0.042 0.000 2.189 79 R HA -0.001 4.337 4.340 -0.002 0.000 0.218 79 R C 2.239 178.474 176.300 -0.109 0.000 1.074 79 R CA 1.045 57.092 56.100 -0.089 0.000 0.991 79 R CB -0.816 29.482 30.300 -0.004 0.000 0.883 79 R HN 0.276 nan 8.270 nan 0.000 0.457 80 S N -0.441 115.201 115.700 -0.096 0.000 2.371 80 S HA -0.049 4.420 4.470 -0.002 0.000 0.221 80 S C 0.651 175.291 174.600 0.068 0.000 1.036 80 S CA 0.747 58.913 58.200 -0.058 0.000 0.965 80 S CB 0.022 63.159 63.200 -0.105 0.000 0.845 80 S HN 0.318 nan 8.310 nan 0.000 0.475 81 Y N 1.105 121.317 120.300 -0.146 0.000 2.863 81 Y HA 0.424 4.973 4.550 -0.003 0.000 0.254 81 Y C 0.538 176.456 175.900 0.030 0.000 1.124 81 Y CA -0.995 57.084 58.100 -0.036 0.000 1.203 81 Y CB -0.187 38.300 38.460 0.046 0.000 1.269 81 Y HN 0.142 nan 8.280 nan 0.000 0.586 82 G N 0.929 109.624 108.800 -0.175 0.000 2.572 82 G HA2 0.379 4.338 3.960 -0.002 0.000 0.261 82 G HA3 0.379 4.338 3.960 -0.002 0.000 0.261 82 G C -0.435 174.257 174.900 -0.347 0.000 1.197 82 G CA -0.625 44.282 45.100 -0.321 0.000 0.870 82 G HN 0.210 nan 8.290 nan 0.000 0.548 83 L N 0.793 121.926 121.223 -0.149 0.000 2.360 83 L HA 0.236 4.574 4.340 -0.002 0.000 0.276 83 L C 1.523 178.366 176.870 -0.044 0.000 1.121 83 L CA -0.003 54.784 54.840 -0.088 0.000 0.845 83 L CB 1.149 43.189 42.059 -0.032 0.000 1.143 83 L HN 0.802 nan 8.230 nan 0.000 0.452 84 T N -1.285 113.212 114.554 -0.095 0.000 3.043 84 T HA 0.557 4.905 4.350 -0.002 0.000 0.272 84 T C 0.199 174.842 174.700 -0.095 0.000 0.990 84 T CA 0.225 62.233 62.100 -0.154 0.000 0.897 84 T CB 0.684 69.336 68.868 -0.360 0.000 1.111 84 T HN 0.636 nan 8.240 nan 0.000 0.529 85 A N 1.432 124.253 122.820 0.002 0.000 2.586 85 A HA 0.822 5.140 4.320 -0.002 0.000 0.290 85 A C -1.099 176.530 177.584 0.073 0.000 1.086 85 A CA -1.344 50.710 52.037 0.028 0.000 0.665 85 A CB 1.352 20.346 19.000 -0.009 0.000 1.279 85 A HN 0.586 nan 8.150 nan 0.000 0.423 92 N N -0.394 118.289 118.700 -0.029 0.000 3.102 92 N HA 0.696 5.435 4.740 -0.002 0.000 0.299 92 N C -0.993 174.481 175.510 -0.060 0.000 1.482 92 N CA -0.586 52.449 53.050 -0.025 0.000 0.785 92 N CB 1.693 40.177 38.487 -0.004 0.000 1.680 92 N HN 0.099 nan 8.380 nan 0.000 0.594 93 T N -1.761 112.736 114.554 -0.095 0.000 2.824 93 T HA 0.595 4.944 4.350 -0.002 0.000 0.282 93 T C -0.754 173.765 174.700 -0.303 0.000 0.993 93 T CA -0.653 61.300 62.100 -0.244 0.000 0.967 93 T CB 0.977 69.612 68.868 -0.388 0.000 0.960 93 T HN 0.116 nan 8.240 nan 0.000 0.441 94 V N 3.535 123.285 119.914 -0.274 0.000 2.472 94 V HA 0.403 4.522 4.120 -0.002 0.000 0.290 94 V C -1.005 174.900 176.094 -0.315 0.000 1.037 94 V CA -0.855 61.356 62.300 -0.148 0.000 0.908 94 V CB 0.776 32.598 31.823 -0.003 0.000 0.985 94 V HN 0.882 nan 8.190 nan 0.000 0.454 95 Y N 4.628 124.972 120.300 0.072 0.000 2.335 95 Y HA 0.547 5.096 4.550 -0.002 0.000 0.339 95 Y C 0.300 176.154 175.900 -0.077 0.000 0.987 95 Y CA -0.534 57.574 58.100 0.013 0.000 1.140 95 Y CB 1.106 39.590 38.460 0.041 0.000 1.173 95 Y HN 0.424 nan 8.280 nan 0.000 0.486 96 L N 4.614 125.881 121.223 0.074 0.000 2.399 96 L HA 0.598 4.936 4.340 -0.002 0.000 0.266 96 L C 0.208 177.032 176.870 -0.076 0.000 1.114 96 L CA -0.730 54.133 54.840 0.040 0.000 0.804 96 L CB 0.910 43.010 42.059 0.068 0.000 1.146 96 L HN 0.615 nan 8.230 nan 0.000 0.451 97 R N 0.476 120.911 120.500 -0.109 0.000 2.930 97 R HA 0.544 4.882 4.340 -0.002 0.000 0.257 97 R C 0.637 176.885 176.300 -0.087 0.000 1.107 97 R CA -0.535 55.450 56.100 -0.191 0.000 0.999 97 R CB 1.225 31.276 30.300 -0.414 0.000 1.209 97 R HN 0.677 nan 8.270 nan 0.000 0.486 98 A N 0.772 123.517 122.820 -0.125 0.000 1.978 98 A HA -0.005 4.313 4.320 -0.002 0.000 0.220 98 A C 0.905 178.518 177.584 0.048 0.000 1.170 98 A CA 1.767 53.759 52.037 -0.074 0.000 0.636 98 A CB -0.334 18.591 19.000 -0.125 0.000 0.810 98 A HN 0.632 nan 8.150 nan 0.000 0.448 99 A N 0.424 123.337 122.820 0.154 0.000 2.305 99 A HA 0.630 4.949 4.320 -0.002 0.000 0.322 99 A C -2.431 175.282 177.584 0.215 0.000 1.187 99 A CA -1.908 50.259 52.037 0.216 0.000 0.825 99 A CB 0.536 19.737 19.000 0.335 0.000 1.164 99 A HN 0.249 nan 8.150 nan 0.000 0.498 100 P HA 0.310 nan 4.420 nan 0.000 0.274 100 P C -0.339 176.951 177.300 -0.018 0.000 1.246 100 P CA -0.125 62.975 63.100 0.000 0.000 0.795 100 P CB 1.302 32.893 31.700 -0.182 0.000 1.006 101 S N -0.464 115.179 115.700 -0.095 0.000 2.562 101 S HA 0.554 5.023 4.470 -0.002 0.000 0.274 101 S C -0.925 173.583 174.600 -0.153 0.000 1.160 101 S CA -0.710 57.381 58.200 -0.182 0.000 0.933 101 S CB 0.588 63.486 63.200 -0.503 0.000 1.100 101 S HN 0.597 nan 8.310 nan 0.000 0.468 102 A N 2.617 125.397 122.820 -0.067 0.000 2.566 102 A HA 0.484 4.803 4.320 -0.002 0.000 0.245 102 A C 1.619 179.279 177.584 0.126 0.000 1.056 102 A CA 0.815 52.867 52.037 0.026 0.000 0.757 102 A CB -1.297 17.660 19.000 -0.071 0.000 0.979 102 A HN 2.460 nan 8.150 nan 0.000 0.508 103 G N 1.679 110.573 108.800 0.157 0.000 2.189 103 G HA2 0.105 4.064 3.960 -0.002 0.000 0.267 103 G HA3 0.105 4.064 3.960 -0.002 0.000 0.267 103 G C 1.655 176.553 174.900 -0.003 0.000 0.975 103 G CA 0.980 46.153 45.100 0.121 0.000 0.644 103 G HN 2.844 nan 8.290 nan 0.000 0.537 104 G N -1.076 107.634 108.800 -0.150 0.000 2.323 104 G HA2 -0.183 3.776 3.960 -0.002 0.000 0.292 104 G HA3 -0.183 3.776 3.960 -0.002 0.000 0.292 104 G C 0.880 175.510 174.900 -0.450 0.000 1.040 104 G CA 0.918 45.819 45.100 -0.333 0.000 0.942 104 G HN 1.311 nan 8.290 nan 0.000 0.506 105 L N -1.927 118.999 121.223 -0.496 0.000 2.515 105 L HA 0.256 4.594 4.340 -0.002 0.000 0.223 105 L C 1.151 177.917 176.870 -0.174 0.000 1.079 105 L CA -0.297 54.415 54.840 -0.214 0.000 0.857 105 L CB 0.011 42.067 42.059 -0.004 0.000 1.050 105 L HN 0.355 nan 8.230 nan 0.000 0.476 106 Y N -0.902 119.424 120.300 0.044 0.000 3.027 106 Y HA -0.172 4.377 4.550 -0.002 0.000 0.195 106 Y C -1.475 174.470 175.900 0.075 0.000 1.381 106 Y CA -0.258 57.882 58.100 0.067 0.000 1.015 106 Y CB -2.029 36.408 38.460 -0.038 0.000 1.329 106 Y HN 0.231 nan 8.280 nan 0.000 0.462 107 P HA -0.077 nan 4.420 nan 0.000 0.220 107 P C 0.792 178.151 177.300 0.098 0.000 1.148 107 P CA 1.739 64.897 63.100 0.096 0.000 0.803 107 P CB 0.195 31.941 31.700 0.076 0.000 0.782 108 A N 0.799 123.706 122.820 0.145 0.000 2.425 108 A HA 0.262 4.581 4.320 -0.002 0.000 0.249 108 A C 0.359 178.016 177.584 0.123 0.000 1.084 108 A CA 0.086 52.156 52.037 0.056 0.000 0.781 108 A CB 0.105 19.036 19.000 -0.116 0.000 1.019 108 A HN -0.044 nan 8.150 nan 0.000 0.490 109 E N 1.110 121.351 120.200 0.068 0.000 2.248 109 E HA 0.476 4.825 4.350 -0.002 0.000 0.267 109 E C -1.353 175.252 176.600 0.009 0.000 0.877 109 E CA -0.566 55.886 56.400 0.086 0.000 0.759 109 E CB 2.109 31.861 29.700 0.086 0.000 1.182 109 E HN 0.327 nan 8.360 nan 0.000 0.418 110 V N 3.916 123.814 119.914 -0.027 0.000 2.398 110 V HA 0.361 4.479 4.120 -0.002 0.000 0.286 110 V C -0.920 175.105 176.094 -0.116 0.000 1.026 110 V CA -0.571 61.727 62.300 -0.003 0.000 0.868 110 V CB 0.442 32.303 31.823 0.064 0.000 0.982 110 V HN 0.512 nan 8.190 nan 0.000 0.443 111 Y N 2.741 123.127 120.300 0.143 0.000 2.509 111 Y HA 0.705 5.253 4.550 -0.003 0.000 0.341 111 Y C 0.006 175.990 175.900 0.139 0.000 1.038 111 Y CA -0.970 57.245 58.100 0.191 0.000 1.089 111 Y CB 2.172 40.743 38.460 0.184 0.000 1.241 111 Y HN 0.327 nan 8.280 nan 0.000 0.468 112 V N 3.257 123.377 119.914 0.344 0.000 2.495 112 V HA 0.480 4.599 4.120 -0.002 0.000 0.298 112 V C -0.788 175.502 176.094 0.326 0.000 1.031 112 V CA -0.915 61.519 62.300 0.223 0.000 0.871 112 V CB 1.689 33.555 31.823 0.071 0.000 0.988 112 V HN 0.514 nan 8.190 nan 0.000 0.432 113 V N 3.635 123.705 119.914 0.260 0.000 2.398 113 V HA 0.504 4.623 4.120 -0.002 0.000 0.286 113 V C 0.206 176.528 176.094 0.380 0.000 1.026 113 V CA -0.233 62.255 62.300 0.315 0.000 0.868 113 V CB 1.825 33.767 31.823 0.198 0.000 0.982 113 V HN 0.866 nan 8.190 nan 0.000 0.443 114 S N 3.933 119.856 115.700 0.373 0.000 2.451 114 S HA 0.410 4.878 4.470 -0.002 0.000 0.301 114 S C 0.886 175.579 174.600 0.155 0.000 1.116 114 S CA -0.658 57.665 58.200 0.206 0.000 1.093 114 S CB 1.234 64.537 63.200 0.172 0.000 1.017 114 S HN 0.759 nan 8.310 nan 0.000 0.482 115 R N 3.550 123.914 120.500 -0.227 0.000 2.189 115 R HA 0.167 4.505 4.340 -0.002 0.000 0.218 115 R C 0.700 176.871 176.300 -0.214 0.000 1.074 115 R CA 1.077 56.908 56.100 -0.448 0.000 0.991 115 R CB -0.345 29.210 30.300 -1.241 0.000 0.883 115 R HN 0.992 nan 8.270 nan 0.000 0.457 116 G N 0.746 109.443 108.800 -0.172 0.000 3.224 116 G HA2 -0.162 3.796 3.960 -0.002 0.000 0.684 116 G HA3 -0.162 3.796 3.960 -0.002 0.000 0.684 116 G C -0.373 174.414 174.900 -0.188 0.000 1.180 116 G CA -0.185 44.844 45.100 -0.118 0.000 1.099 116 G HN 0.352 nan 8.290 nan 0.000 0.476 117 T N 0.272 114.699 114.554 -0.211 0.000 2.888 117 T HA 0.849 5.198 4.350 -0.002 0.000 0.288 117 T C -1.460 173.110 174.700 -0.218 0.000 1.063 117 T CA -1.121 60.818 62.100 -0.269 0.000 1.010 117 T CB 2.587 71.201 68.868 -0.424 0.000 1.214 117 T HN 0.095 nan 8.240 nan 0.000 0.533 118 P HA 0.178 nan 4.420 nan 0.000 0.223 118 P C 1.239 178.457 177.300 -0.137 0.000 1.151 118 P CA 0.591 63.601 63.100 -0.149 0.000 0.787 118 P CB 0.074 31.690 31.700 -0.140 0.000 0.788 119 L N -2.333 118.731 121.223 -0.264 0.000 2.357 119 L HA 0.166 4.505 4.340 -0.002 0.000 0.211 119 L C 0.629 177.453 176.870 -0.076 0.000 1.075 119 L CA 0.069 54.794 54.840 -0.191 0.000 0.830 119 L CB 0.128 41.880 42.059 -0.511 0.000 0.996 119 L HN -0.033 nan 8.230 nan 0.000 0.467 120 L N 0.153 121.226 121.223 -0.251 0.000 2.345 120 L HA 0.384 4.723 4.340 -0.002 0.000 0.274 120 L C 0.102 176.949 176.870 -0.038 0.000 0.999 120 L CA -0.126 54.641 54.840 -0.123 0.000 0.849 120 L CB 1.415 43.284 42.059 -0.316 0.000 1.220 120 L HN -0.128 nan 8.230 nan 0.000 0.422 121 S N 6.208 121.954 115.700 0.077 0.000 2.559 121 S HA 0.180 4.648 4.470 -0.002 0.000 0.282 121 S C -2.295 172.387 174.600 0.136 0.000 1.336 121 S CA -0.465 57.796 58.200 0.101 0.000 1.037 121 S CB -0.050 63.267 63.200 0.194 0.000 0.853 121 S HN 0.540 nan 8.310 nan 0.000 0.523 122 P HA 0.437 nan 4.420 nan 0.000 0.272 122 P C 0.574 178.030 177.300 0.260 0.000 1.230 122 P CA 0.150 63.343 63.100 0.156 0.000 0.788 122 P CB 0.467 32.220 31.700 0.088 0.000 0.949 123 G N 0.192 109.156 108.800 0.274 0.000 2.337 123 G HA2 -0.023 3.935 3.960 -0.002 0.000 0.197 123 G HA3 -0.023 3.935 3.960 -0.002 0.000 0.197 123 G C -1.678 173.363 174.900 0.235 0.000 1.238 123 G CA -0.708 44.542 45.100 0.251 0.000 1.119 123 G HN 0.521 nan 8.290 nan 0.000 0.514 124 L N 0.174 121.419 121.223 0.036 0.000 2.322 124 L HA 0.740 5.079 4.340 -0.002 0.000 0.281 124 L C -1.035 175.683 176.870 -0.253 0.000 1.014 124 L CA -0.847 53.933 54.840 -0.100 0.000 0.815 124 L CB 1.706 43.484 42.059 -0.468 0.000 1.247 124 L HN 0.538 nan 8.230 nan 0.000 0.421 125 Y N 1.479 121.881 120.300 0.169 0.000 2.391 125 Y HA 0.333 4.882 4.550 -0.002 0.000 0.341 125 Y C -0.005 176.115 175.900 0.368 0.000 0.965 125 Y CA -0.799 57.453 58.100 0.253 0.000 1.067 125 Y CB 1.834 40.398 38.460 0.173 0.000 1.199 125 Y HN 0.518 nan 8.280 nan 0.000 0.450 126 N N 1.999 120.935 118.700 0.393 0.000 2.421 126 N HA 0.101 4.840 4.740 -0.002 0.000 0.285 126 N C -1.567 174.012 175.510 0.115 0.000 1.027 126 N CA -0.426 52.686 53.050 0.104 0.000 0.918 126 N CB 0.893 39.313 38.487 -0.111 0.000 1.152 126 N HN 0.708 nan 8.380 nan 0.000 0.485 127 Y N 3.186 123.471 120.300 -0.025 0.000 2.436 127 Y HA 0.116 4.665 4.550 -0.002 0.000 0.343 127 Y C -0.285 175.655 175.900 0.067 0.000 1.008 127 Y CA -0.116 58.009 58.100 0.042 0.000 1.241 127 Y CB 0.489 38.991 38.460 0.070 0.000 1.153 127 Y HN 0.390 nan 8.280 nan 0.000 0.521 128 Q N 6.322 125.769 119.800 -0.588 0.000 2.421 128 Q HA 0.167 4.505 4.340 -0.002 0.000 0.242 128 Q C 0.799 176.350 176.000 -0.748 0.000 1.024 128 Q CA -0.107 55.416 55.803 -0.467 0.000 0.891 128 Q CB 1.042 29.635 28.738 -0.241 0.000 1.222 128 Q HN 0.976 nan 8.270 nan 0.000 0.483 129 C N 1.383 120.332 119.300 -0.586 0.000 2.413 129 C HA -0.156 4.303 4.460 -0.002 0.000 0.277 129 C C 2.384 177.203 174.990 -0.285 0.000 1.265 129 C CA 0.589 59.394 59.018 -0.356 0.000 1.752 129 C CB -0.395 27.280 27.740 -0.108 0.000 1.998 129 C HN 0.792 nan 8.230 nan 0.000 0.489 130 R N 0.516 120.754 120.500 -0.437 0.000 2.120 130 R HA -0.110 4.229 4.340 -0.002 0.000 0.234 130 R C 1.945 178.045 176.300 -0.334 0.000 1.123 130 R CA 1.969 57.736 56.100 -0.554 0.000 0.975 130 R CB -0.364 29.465 30.300 -0.786 0.000 0.866 130 R HN 0.766 nan 8.270 nan 0.000 0.446 131 T N -4.699 109.713 114.554 -0.236 0.000 3.040 131 T HA 0.038 4.386 4.350 -0.002 0.000 0.266 131 T C -0.064 174.631 174.700 -0.008 0.000 1.005 131 T CA -0.288 61.734 62.100 -0.130 0.000 0.906 131 T CB 0.118 68.905 68.868 -0.135 0.000 1.082 131 T HN 0.357 nan 8.240 nan 0.000 0.531 132 H N 1.238 120.240 119.070 -0.113 0.000 2.680 132 H HA -0.142 4.413 4.556 -0.002 0.000 0.328 132 H C -0.782 174.590 175.328 0.073 0.000 1.139 132 H CA 0.416 56.501 56.048 0.062 0.000 1.124 132 H CB -1.756 28.093 29.762 0.146 0.000 1.584 132 H HN 0.503 nan 8.280 nan 0.000 0.410 133 S N 0.836 116.450 115.700 -0.143 0.000 2.661 133 S HA 0.718 5.187 4.470 -0.002 0.000 0.285 133 S C -0.473 174.123 174.600 -0.007 0.000 1.138 133 S CA -0.910 57.235 58.200 -0.092 0.000 0.855 133 S CB 2.167 65.325 63.200 -0.070 0.000 1.136 133 S HN 0.303 nan 8.310 nan 0.000 0.484 134 L N 1.924 123.196 121.223 0.081 0.000 2.341 134 L HA 0.558 4.896 4.340 -0.002 0.000 0.278 134 L C -1.092 175.892 176.870 0.191 0.000 1.005 134 L CA -0.777 54.181 54.840 0.196 0.000 0.818 134 L CB 1.204 43.430 42.059 0.278 0.000 1.259 134 L HN 0.454 nan 8.230 nan 0.000 0.418 135 I N 2.542 123.202 120.570 0.149 0.000 2.312 135 I HA 0.136 4.305 4.170 -0.002 0.000 0.290 135 I C 0.282 176.492 176.117 0.155 0.000 1.008 135 I CA -0.118 61.232 61.300 0.085 0.000 1.226 135 I CB 0.937 38.870 38.000 -0.110 0.000 1.371 135 I HN 0.635 nan 8.210 nan 0.000 0.468 136 H N 7.525 126.580 119.070 -0.025 0.000 3.008 136 H HA 0.083 4.638 4.556 -0.002 0.000 0.268 136 H C 0.226 175.447 175.328 -0.179 0.000 1.323 136 H CA -0.250 55.580 56.048 -0.363 0.000 1.401 136 H CB 0.348 29.882 29.762 -0.381 0.000 1.556 136 H HN 0.621 nan 8.280 nan 0.000 0.502 137 Y N 2.828 123.033 120.300 -0.158 0.000 2.482 137 Y HA 0.168 4.716 4.550 -0.003 0.000 0.270 137 Y C -0.305 175.632 175.900 0.061 0.000 1.152 137 Y CA -0.857 57.200 58.100 -0.071 0.000 1.292 137 Y CB 0.408 38.832 38.460 -0.059 0.000 1.070 137 Y HN 0.381 nan 8.280 nan 0.000 0.528 138 W N 2.257 123.203 121.300 -0.590 0.000 3.216 138 W HA 0.374 5.033 4.660 -0.002 0.000 0.335 138 W C -1.838 174.406 176.519 -0.459 0.000 1.077 138 W CA -0.830 56.251 57.345 -0.439 0.000 1.252 138 W CB 1.671 30.924 29.460 -0.344 0.000 1.312 138 W HN 0.017 nan 8.180 nan 0.000 0.446 139 E N 4.454 124.074 120.200 -0.966 0.000 2.102 139 E HA 0.460 4.809 4.350 -0.002 0.000 0.263 139 E C -0.724 175.460 176.600 -0.694 0.000 0.894 139 E CA 0.033 56.034 56.400 -0.665 0.000 0.746 139 E CB 1.120 30.496 29.700 -0.540 0.000 1.129 139 E HN 0.394 nan 8.360 nan 0.000 0.416 140 S N 2.981 118.455 115.700 -0.377 0.000 2.615 140 S HA 0.254 4.722 4.470 -0.002 0.000 0.268 140 S C -1.333 173.302 174.600 0.058 0.000 1.146 140 S CA -1.163 56.937 58.200 -0.167 0.000 0.818 140 S CB 1.097 64.246 63.200 -0.085 0.000 1.111 140 S HN 0.298 nan 8.310 nan 0.000 0.465 141 D N 1.730 122.183 120.400 0.089 0.000 2.339 141 D HA 0.345 4.983 4.640 -0.002 0.000 0.256 141 D C 1.208 177.618 176.300 0.185 0.000 1.214 141 D CA 0.100 54.179 54.000 0.131 0.000 0.877 141 D CB 1.380 42.241 40.800 0.102 0.000 1.111 141 D HN 0.797 nan 8.370 nan 0.000 0.478 142 V N 0.699 120.744 119.914 0.218 0.000 3.432 142 V HA 0.140 4.259 4.120 -0.002 0.000 0.298 142 V C 1.668 177.839 176.094 0.129 0.000 1.464 142 V CA -0.573 61.830 62.300 0.171 0.000 1.046 142 V CB -0.232 31.694 31.823 0.172 0.000 0.887 142 V HN 0.551 nan 8.190 nan 0.000 0.441 143 W N 1.632 122.926 121.300 -0.010 0.000 2.355 143 W HA -0.217 4.442 4.660 -0.003 0.000 0.309 143 W C 2.262 178.712 176.519 -0.116 0.000 1.206 143 W CA 2.479 59.793 57.345 -0.051 0.000 1.284 143 W CB 0.031 29.477 29.460 -0.024 0.000 1.145 143 W HN 0.467 nan 8.180 nan 0.000 0.502 144 Q N 0.180 120.025 119.800 0.075 0.000 2.096 144 Q HA -0.190 4.149 4.340 -0.002 0.000 0.204 144 Q C 2.243 178.076 176.000 -0.278 0.000 0.982 144 Q CA 2.502 58.252 55.803 -0.089 0.000 0.850 144 Q CB -0.305 28.488 28.738 0.092 0.000 0.901 144 Q HN 0.030 nan 8.270 nan 0.000 0.422 145 S N 0.685 116.278 115.700 -0.177 0.000 2.370 145 S HA -0.162 4.306 4.470 -0.002 0.000 0.226 145 S C 1.727 176.113 174.600 -0.357 0.000 1.033 145 S CA 1.128 59.196 58.200 -0.221 0.000 1.011 145 S CB -0.330 62.783 63.200 -0.145 0.000 0.852 145 S HN 0.378 nan 8.310 nan 0.000 0.457 146 L N 1.860 122.831 121.223 -0.420 0.000 2.056 146 L HA -0.087 4.252 4.340 -0.002 0.000 0.207 146 L C 2.251 178.743 176.870 -0.630 0.000 1.078 146 L CA 1.713 56.234 54.840 -0.533 0.000 0.749 146 L CB -0.824 40.838 42.059 -0.662 0.000 0.901 146 L HN 0.269 nan 8.230 nan 0.000 0.433 147 Q N -0.541 118.794 119.800 -0.775 0.000 2.061 147 Q HA -0.255 4.084 4.340 -0.002 0.000 0.204 147 Q C 2.101 177.435 176.000 -1.110 0.000 0.984 147 Q CA 2.175 57.415 55.803 -0.939 0.000 0.846 147 Q CB -0.216 27.800 28.738 -1.203 0.000 0.902 147 Q HN 0.627 nan 8.270 nan 0.000 0.421 148 E N 0.471 120.047 120.200 -1.040 0.000 2.077 148 E HA -0.188 4.160 4.350 -0.002 0.000 0.193 148 E C 1.914 178.194 176.600 -0.533 0.000 0.989 148 E CA 0.998 56.977 56.400 -0.702 0.000 0.800 148 E CB -0.152 29.360 29.700 -0.314 0.000 0.746 148 E HN 0.359 nan 8.360 nan 0.000 0.452 149 A N 0.261 122.795 122.820 -0.476 0.000 2.015 149 A HA -0.140 4.179 4.320 -0.002 0.000 0.219 149 A C 1.877 179.204 177.584 -0.430 0.000 1.163 149 A CA 0.845 52.632 52.037 -0.416 0.000 0.646 149 A CB -0.215 18.595 19.000 -0.317 0.000 0.806 149 A HN 0.352 nan 8.150 nan 0.000 0.448 150 C N -1.723 117.358 119.300 -0.365 0.000 2.492 150 C HA 0.457 4.915 4.460 -0.002 0.000 0.317 150 C C 0.017 175.068 174.990 0.102 0.000 1.347 150 C CA -0.687 58.276 59.018 -0.091 0.000 1.759 150 C CB -2.431 25.268 27.740 -0.068 0.000 2.127 150 C HN 0.593 nan 8.230 nan 0.000 0.579 151 F N -1.894 118.064 119.950 0.012 0.000 3.091 151 F HA -0.243 4.283 4.527 -0.002 0.000 0.288 151 F C 0.599 176.557 175.800 0.264 0.000 0.907 151 F CA 0.827 58.912 58.000 0.141 0.000 1.028 151 F CB -2.713 36.376 39.000 0.148 0.000 1.022 151 F HN 0.595 nan 8.300 nan 0.000 0.665 152 W N -1.169 120.215 121.300 0.139 0.000 5.361 152 W HA -0.267 4.391 4.660 -0.002 0.000 0.385 152 W C 1.095 177.702 176.519 0.146 0.000 1.458 152 W CA 0.881 58.291 57.345 0.109 0.000 0.922 152 W CB -1.840 27.672 29.460 0.086 0.000 2.606 152 W HN 0.504 nan 8.180 nan 0.000 1.450 153 H N 1.605 120.779 119.070 0.174 0.000 3.034 153 H HA -0.003 4.552 4.556 -0.002 0.000 0.324 153 H C -1.134 174.270 175.328 0.127 0.000 1.015 153 H CA -0.072 56.064 56.048 0.147 0.000 1.429 153 H CB 1.063 30.886 29.762 0.101 0.000 1.429 153 H HN -0.088 nan 8.280 nan 0.000 0.585 154 P HA -0.078 nan 4.420 nan 0.000 0.220 154 P C 1.098 178.515 177.300 0.194 0.000 1.148 154 P CA 1.536 64.716 63.100 0.133 0.000 0.803 154 P CB 0.048 31.758 31.700 0.016 0.000 0.782 155 A N -0.525 122.515 122.820 0.367 0.000 2.019 155 A HA -0.131 4.188 4.320 -0.002 0.000 0.219 155 A C 2.071 179.722 177.584 0.113 0.000 1.164 155 A CA 1.202 53.292 52.037 0.088 0.000 0.644 155 A CB -1.535 17.448 19.000 -0.030 0.000 0.805 155 A HN 0.172 nan 8.150 nan 0.000 0.449 156 L N -1.286 120.045 121.223 0.181 0.000 2.313 156 L HA -0.059 4.280 4.340 -0.002 0.000 0.214 156 L C 2.393 179.519 176.870 0.426 0.000 1.119 156 L CA 1.064 56.047 54.840 0.239 0.000 0.809 156 L CB -0.174 41.851 42.059 -0.056 0.000 0.933 156 L HN 0.347 nan 8.230 nan 0.000 0.449 157 E N 0.014 120.389 120.200 0.292 0.000 2.158 157 E HA -0.109 4.239 4.350 -0.002 0.000 0.191 157 E C 2.110 178.813 176.600 0.171 0.000 0.982 157 E CA 1.178 57.739 56.400 0.269 0.000 0.823 157 E CB 0.164 29.996 29.700 0.221 0.000 0.766 157 E HN 0.310 nan 8.360 nan 0.000 0.468 158 S N -0.790 114.982 115.700 0.121 0.000 2.478 158 S HA 0.030 4.499 4.470 -0.002 0.000 0.222 158 S C 0.948 175.566 174.600 0.030 0.000 1.008 158 S CA 0.557 58.788 58.200 0.051 0.000 0.928 158 S CB -0.058 63.154 63.200 0.019 0.000 0.781 158 S HN 0.401 nan 8.310 nan 0.000 0.518 159 T N -0.130 114.476 114.554 0.087 0.000 2.936 159 T HA 0.463 4.811 4.350 -0.002 0.000 0.282 159 T C 0.291 174.907 174.700 -0.140 0.000 1.003 159 T CA -0.774 61.366 62.100 0.066 0.000 1.005 159 T CB 1.226 70.211 68.868 0.194 0.000 1.097 159 T HN -0.122 nan 8.240 nan 0.000 0.532 160 Q N 0.081 119.753 119.800 -0.213 0.000 2.245 160 Q HA 0.355 4.694 4.340 -0.002 0.000 0.236 160 Q C 0.307 176.046 176.000 -0.435 0.000 0.842 160 Q CA 0.074 55.581 55.803 -0.492 0.000 0.945 160 Q CB 0.659 29.201 28.738 -0.326 0.000 1.122 160 Q HN 0.799 nan 8.270 nan 0.000 0.506 161 L N -3.404 117.790 121.223 -0.049 0.000 2.540 161 L HA 1.008 5.346 4.340 -0.002 0.000 0.256 161 L C -1.706 175.359 176.870 0.324 0.000 1.001 161 L CA -1.209 53.729 54.840 0.163 0.000 0.843 161 L CB 2.073 44.165 42.059 0.056 0.000 1.436 161 L HN -0.199 nan 8.230 nan 0.000 0.410 162 A N 1.805 124.795 122.820 0.284 0.000 2.515 162 A HA 0.810 5.128 4.320 -0.002 0.000 0.298 162 A C -1.154 176.468 177.584 0.063 0.000 1.059 162 A CA -0.555 51.565 52.037 0.137 0.000 0.698 162 A CB 1.639 20.665 19.000 0.043 0.000 1.289 162 A HN 0.720 nan 8.150 nan 0.000 0.404 163 I N 1.709 122.282 120.570 0.005 0.000 2.440 163 I HA 0.412 4.581 4.170 -0.002 0.000 0.294 163 I C -0.606 175.509 176.117 -0.003 0.000 0.995 163 I CA -0.375 60.929 61.300 0.005 0.000 1.306 163 I CB 1.328 39.299 38.000 -0.049 0.000 1.407 163 I HN 0.476 nan 8.210 nan 0.000 0.501 164 I N 6.069 126.670 120.570 0.053 0.000 2.465 164 I HA 0.353 4.522 4.170 -0.002 0.000 0.291 164 I C -0.796 175.385 176.117 0.107 0.000 1.014 164 I CA -0.850 60.454 61.300 0.006 0.000 1.093 164 I CB 2.067 40.017 38.000 -0.082 0.000 1.267 164 I HN 0.122 nan 8.210 nan 0.000 0.431 165 V N 4.580 124.521 119.914 0.045 0.000 2.370 165 V HA 0.462 4.581 4.120 -0.002 0.000 0.283 165 V C 0.366 176.505 176.094 0.075 0.000 1.023 165 V CA -0.397 61.938 62.300 0.059 0.000 0.857 165 V CB 1.564 33.380 31.823 -0.011 0.000 0.985 165 V HN 0.903 nan 8.190 nan 0.000 0.443 166 T N 1.932 116.561 114.554 0.124 0.000 2.938 166 T HA 0.893 5.241 4.350 -0.002 0.000 0.285 166 T C -0.316 174.387 174.700 0.005 0.000 1.028 166 T CA -0.627 61.514 62.100 0.067 0.000 1.005 166 T CB 2.156 71.086 68.868 0.104 0.000 1.157 166 T HN 0.983 nan 8.240 nan 0.000 0.550 167 A N 0.954 123.704 122.820 -0.115 0.000 2.330 167 A HA 0.669 4.987 4.320 -0.002 0.000 0.313 167 A C -0.523 176.782 177.584 -0.466 0.000 1.124 167 A CA -0.818 51.105 52.037 -0.191 0.000 0.774 167 A CB 1.292 20.225 19.000 -0.111 0.000 1.198 167 A HN 0.824 nan 8.150 nan 0.000 0.465 168 V N 4.573 124.332 119.914 -0.258 0.000 2.320 168 V HA 0.141 4.260 4.120 -0.002 0.000 0.265 168 V C 0.671 176.697 176.094 -0.112 0.000 1.048 168 V CA -0.023 62.129 62.300 -0.247 0.000 0.865 168 V CB -0.661 31.131 31.823 -0.053 0.000 1.043 168 V HN 0.867 nan 8.190 nan 0.000 0.474 169 F N 3.136 123.157 119.950 0.118 0.000 2.091 169 F HA -0.200 4.325 4.527 -0.002 0.000 0.299 169 F C 2.026 177.950 175.800 0.206 0.000 1.103 169 F CA 1.812 59.903 58.000 0.151 0.000 1.228 169 F CB -0.926 38.169 39.000 0.158 0.000 0.984 169 F HN 0.511 nan 8.300 nan 0.000 0.477 170 Y N 1.210 121.672 120.300 0.270 0.000 2.333 170 Y HA -0.153 4.396 4.550 -0.002 0.000 0.290 170 Y C 2.390 178.409 175.900 0.198 0.000 1.144 170 Y CA 1.040 59.272 58.100 0.219 0.000 1.228 170 Y CB -0.440 38.120 38.460 0.167 0.000 0.985 170 Y HN -0.046 nan 8.280 nan 0.000 0.542 171 R N -1.365 119.211 120.500 0.127 0.000 2.117 171 R HA -0.188 4.150 4.340 -0.002 0.000 0.243 171 R C 2.547 178.876 176.300 0.048 0.000 1.143 171 R CA 1.672 57.787 56.100 0.025 0.000 0.968 171 R CB -0.508 29.818 30.300 0.042 0.000 0.863 171 R HN 0.217 nan 8.270 nan 0.000 0.444 172 S N -0.691 115.082 115.700 0.122 0.000 2.475 172 S HA 0.135 4.603 4.470 -0.002 0.000 0.224 172 S C 1.813 176.535 174.600 0.205 0.000 1.042 172 S CA 0.418 58.744 58.200 0.211 0.000 0.935 172 S CB 0.233 63.570 63.200 0.228 0.000 0.801 172 S HN 0.392 nan 8.310 nan 0.000 0.509 173 A N 0.348 123.255 122.820 0.146 0.000 2.015 173 A HA -0.050 4.269 4.320 -0.002 0.000 0.219 173 A C 1.740 179.273 177.584 -0.087 0.000 1.163 173 A CA 1.290 53.392 52.037 0.108 0.000 0.646 173 A CB -1.127 18.009 19.000 0.226 0.000 0.806 173 A HN 0.838 nan 8.150 nan 0.000 0.448 174 W N 0.837 121.803 121.300 -0.558 0.000 2.325 174 W HA -0.263 4.396 4.660 -0.002 0.000 0.299 174 W C 2.254 178.526 176.519 -0.412 0.000 1.215 174 W CA 2.342 59.267 57.345 -0.701 0.000 1.244 174 W CB -0.080 28.825 29.460 -0.924 0.000 1.140 174 W HN 0.318 nan 8.180 nan 0.000 0.523 175 R N -1.976 118.223 120.500 -0.501 0.000 2.103 175 R HA -0.042 4.297 4.340 -0.002 0.000 0.212 175 R C 1.690 177.604 176.300 -0.643 0.000 1.107 175 R CA 1.248 56.847 56.100 -0.835 0.000 1.025 175 R CB -0.785 28.984 30.300 -0.885 0.000 0.929 175 R HN 0.228 nan 8.270 nan 0.000 0.456 176 Y N 1.312 121.528 120.300 -0.140 0.000 2.457 176 Y HA 0.254 4.802 4.550 -0.002 0.000 0.263 176 Y C 0.431 176.289 175.900 -0.069 0.000 1.164 176 Y CA -0.073 57.981 58.100 -0.076 0.000 1.274 176 Y CB 0.207 38.662 38.460 -0.009 0.000 1.097 176 Y HN 0.165 nan 8.280 nan 0.000 0.523 177 E N -0.243 119.975 120.200 0.030 0.000 3.333 177 E HA -0.356 3.993 4.350 -0.002 0.000 0.342 177 E C 0.291 176.943 176.600 0.087 0.000 1.501 177 E CA 1.265 57.682 56.400 0.029 0.000 1.770 177 E CB -0.987 28.691 29.700 -0.036 0.000 1.817 177 E HN 0.243 nan 8.360 nan 0.000 0.485 178 D N 0.488 120.910 120.400 0.037 0.000 2.218 178 D HA -0.094 4.544 4.640 -0.002 0.000 0.204 178 D C 1.834 178.212 176.300 0.129 0.000 0.976 178 D CA 1.095 55.140 54.000 0.075 0.000 0.853 178 D CB -0.233 40.550 40.800 -0.030 0.000 0.939 178 D HN 0.224 nan 8.370 nan 0.000 0.481 179 R N 0.673 121.189 120.500 0.027 0.000 2.237 179 R HA 0.030 4.369 4.340 -0.002 0.000 0.219 179 R C 2.133 178.520 176.300 0.145 0.000 1.080 179 R CA 0.667 56.777 56.100 0.017 0.000 0.995 179 R CB -0.145 30.093 30.300 -0.103 0.000 0.875 179 R HN 0.065 nan 8.270 nan 0.000 0.462 180 A N 0.649 123.600 122.820 0.218 0.000 1.986 180 A HA -0.240 4.078 4.320 -0.002 0.000 0.220 180 A C 1.805 179.529 177.584 0.233 0.000 1.171 180 A CA 1.139 53.309 52.037 0.223 0.000 0.640 180 A CB -0.600 18.570 19.000 0.284 0.000 0.811 180 A HN 0.377 nan 8.150 nan 0.000 0.451 181 Y N 0.464 120.875 120.300 0.185 0.000 2.224 181 Y HA -0.221 4.327 4.550 -0.002 0.000 0.289 181 Y C 2.531 178.483 175.900 0.086 0.000 1.146 181 Y CA 1.986 60.161 58.100 0.126 0.000 1.182 181 Y CB -0.235 38.219 38.460 -0.011 0.000 0.983 181 Y HN 0.320 nan 8.280 nan 0.000 0.524 182 R N -0.577 120.045 120.500 0.203 0.000 2.070 182 R HA -0.164 4.174 4.340 -0.002 0.000 0.233 182 R C 2.265 178.530 176.300 -0.057 0.000 1.137 182 R CA 1.551 57.621 56.100 -0.051 0.000 0.945 182 R CB -0.254 30.116 30.300 0.117 0.000 0.845 182 R HN 0.183 nan 8.270 nan 0.000 0.430 183 R N 0.797 121.260 120.500 -0.062 0.000 2.081 183 R HA -0.069 4.270 4.340 -0.002 0.000 0.235 183 R C 2.300 178.559 176.300 -0.068 0.000 1.131 183 R CA 1.236 57.265 56.100 -0.118 0.000 0.960 183 R CB -0.787 29.324 30.300 -0.315 0.000 0.856 183 R HN 0.320 nan 8.270 nan 0.000 0.436 184 I N 0.325 120.865 120.570 -0.049 0.000 2.163 184 I HA -0.346 3.822 4.170 -0.002 0.000 0.243 184 I C 2.348 178.414 176.117 -0.086 0.000 1.085 184 I CA 1.318 62.592 61.300 -0.044 0.000 1.347 184 I CB -0.297 37.684 38.000 -0.031 0.000 1.044 184 I HN 0.113 nan 8.210 nan 0.000 0.408 185 C N 0.349 119.551 119.300 -0.164 0.000 2.446 185 C HA -0.090 4.368 4.460 -0.002 0.000 0.277 185 C C 2.697 177.682 174.990 -0.009 0.000 1.275 185 C CA 0.352 59.305 59.018 -0.109 0.000 1.727 185 C CB -0.946 26.700 27.740 -0.157 0.000 2.010 185 C HN 0.435 nan 8.230 nan 0.000 0.486 186 L N 0.878 122.091 121.223 -0.016 0.000 1.989 186 L HA -0.182 4.157 4.340 -0.002 0.000 0.211 186 L C 2.339 179.238 176.870 0.048 0.000 1.071 186 L CA 1.645 56.440 54.840 -0.076 0.000 0.749 186 L CB -0.844 41.066 42.059 -0.249 0.000 0.890 186 L HN 0.261 nan 8.230 nan 0.000 0.431 187 D N -0.517 119.909 120.400 0.043 0.000 2.116 187 D HA -0.179 4.460 4.640 -0.002 0.000 0.193 187 D C 2.185 178.545 176.300 0.100 0.000 0.998 187 D CA 1.838 55.890 54.000 0.087 0.000 0.836 187 D CB -0.379 40.446 40.800 0.040 0.000 0.951 187 D HN 0.255 nan 8.370 nan 0.000 0.449 188 T N -0.305 114.274 114.554 0.042 0.000 2.746 188 T HA -0.081 4.268 4.350 -0.002 0.000 0.267 188 T C 1.990 176.702 174.700 0.020 0.000 1.039 188 T CA 1.455 63.563 62.100 0.013 0.000 1.142 188 T CB -0.696 68.177 68.868 0.010 0.000 0.866 188 T HN 0.284 nan 8.240 nan 0.000 0.444 189 G N 1.020 109.845 108.800 0.042 0.000 2.442 189 G HA2 -0.272 3.686 3.960 -0.002 0.000 0.219 189 G HA3 -0.272 3.686 3.960 -0.002 0.000 0.219 189 G C 1.378 176.246 174.900 -0.055 0.000 1.141 189 G CA 0.658 45.766 45.100 0.013 0.000 0.763 189 G HN 0.529 nan 8.290 nan 0.000 0.554 190 H N -0.433 118.635 119.070 -0.003 0.000 2.321 190 H HA -0.062 4.492 4.556 -0.002 0.000 0.300 190 H C 2.570 177.871 175.328 -0.044 0.000 1.087 190 H CA 1.517 57.575 56.048 0.017 0.000 1.319 190 H CB -0.241 29.563 29.762 0.070 0.000 1.379 190 H HN 0.316 nan 8.280 nan 0.000 0.501 191 L N 1.277 122.535 121.223 0.059 0.000 2.042 191 L HA -0.153 4.186 4.340 -0.002 0.000 0.210 191 L C 2.322 179.091 176.870 -0.168 0.000 1.076 191 L CA 1.265 56.067 54.840 -0.063 0.000 0.749 191 L CB -0.891 41.062 42.059 -0.176 0.000 0.893 191 L HN 0.142 nan 8.230 nan 0.000 0.432 192 L N -0.650 120.441 121.223 -0.219 0.000 2.042 192 L HA -0.157 4.181 4.340 -0.002 0.000 0.210 192 L C 2.565 179.055 176.870 -0.634 0.000 1.076 192 L CA 1.321 55.932 54.840 -0.381 0.000 0.749 192 L CB -1.607 40.221 42.059 -0.385 0.000 0.893 192 L HN 0.489 nan 8.230 nan 0.000 0.432 193 G N -0.059 108.348 108.800 -0.654 0.000 2.440 193 G HA2 -0.272 3.687 3.960 -0.002 0.000 0.218 193 G HA3 -0.272 3.687 3.960 -0.002 0.000 0.218 193 G C 1.394 176.129 174.900 -0.275 0.000 1.154 193 G CA 0.767 45.528 45.100 -0.564 0.000 0.767 193 G HN 0.317 nan 8.290 nan 0.000 0.552 194 N N 0.628 119.226 118.700 -0.170 0.000 2.142 194 N HA -0.022 4.717 4.740 -0.002 0.000 0.186 194 N C 2.236 177.656 175.510 -0.151 0.000 1.023 194 N CA 0.651 53.634 53.050 -0.112 0.000 0.852 194 N CB -0.274 38.181 38.487 -0.053 0.000 0.998 194 N HN 0.362 nan 8.380 nan 0.000 0.424 195 I N 1.379 121.833 120.570 -0.194 0.000 2.163 195 I HA -0.309 3.859 4.170 -0.002 0.000 0.243 195 I C 2.279 178.284 176.117 -0.186 0.000 1.085 195 I CA 1.450 62.636 61.300 -0.190 0.000 1.347 195 I CB -0.346 37.530 38.000 -0.206 0.000 1.044 195 I HN 0.282 nan 8.210 nan 0.000 0.408 196 E N 1.410 121.465 120.200 -0.240 0.000 2.110 196 E HA -0.200 4.148 4.350 -0.002 0.000 0.193 196 E C 2.115 178.633 176.600 -0.137 0.000 0.988 196 E CA 1.267 57.551 56.400 -0.193 0.000 0.804 196 E CB -0.580 28.987 29.700 -0.221 0.000 0.745 196 E HN 0.455 nan 8.360 nan 0.000 0.458 197 L N 0.926 122.065 121.223 -0.140 0.000 2.072 197 L HA -0.079 4.259 4.340 -0.002 0.000 0.205 197 L C 2.522 179.329 176.870 -0.105 0.000 1.079 197 L CA 1.229 55.995 54.840 -0.123 0.000 0.752 197 L CB -0.383 41.599 42.059 -0.129 0.000 0.906 197 L HN 0.151 nan 8.230 nan 0.000 0.436 198 S N 0.184 115.825 115.700 -0.097 0.000 2.382 198 S HA -0.173 4.295 4.470 -0.002 0.000 0.228 198 S C 2.206 176.777 174.600 -0.048 0.000 1.027 198 S CA 1.189 59.345 58.200 -0.072 0.000 0.991 198 S CB -0.322 62.830 63.200 -0.081 0.000 0.823 198 S HN 0.486 nan 8.310 nan 0.000 0.469 199 A N 1.832 124.621 122.820 -0.051 0.000 1.877 199 A HA 0.086 4.404 4.320 -0.002 0.000 0.216 199 A C 2.408 180.016 177.584 0.040 0.000 1.186 199 A CA 1.741 53.788 52.037 0.017 0.000 0.620 199 A CB -1.245 17.757 19.000 0.004 0.000 0.822 199 A HN 0.519 nan 8.150 nan 0.000 0.443 200 A N 0.010 122.823 122.820 -0.012 0.000 1.917 200 A HA -0.167 4.152 4.320 -0.002 0.000 0.219 200 A C 2.105 179.685 177.584 -0.007 0.000 1.182 200 A CA 1.710 53.740 52.037 -0.012 0.000 0.633 200 A CB -0.718 18.260 19.000 -0.038 0.000 0.819 200 A HN 0.520 nan 8.150 nan 0.000 0.448 201 I N 0.104 120.661 120.570 -0.021 0.000 2.335 201 I HA -0.197 3.971 4.170 -0.002 0.000 0.251 201 I C 2.025 178.146 176.117 0.007 0.000 1.129 201 I CA 1.751 63.041 61.300 -0.016 0.000 1.402 201 I CB -0.236 37.746 38.000 -0.028 0.000 1.069 201 I HN 0.535 nan 8.210 nan 0.000 0.424 202 T N -3.895 110.679 114.554 0.032 0.000 3.214 202 T HA 0.144 4.493 4.350 -0.002 0.000 0.264 202 T C 0.290 175.027 174.700 0.062 0.000 1.012 202 T CA -0.424 61.713 62.100 0.062 0.000 0.901 202 T CB -0.094 68.830 68.868 0.092 0.000 1.070 202 T HN 0.226 nan 8.240 nan 0.000 0.561 203 D N 0.411 120.818 120.400 0.012 0.000 2.772 203 D HA -0.156 4.483 4.640 -0.002 0.000 0.233 203 D C -0.821 175.381 176.300 -0.163 0.000 1.143 203 D CA 0.964 54.926 54.000 -0.064 0.000 0.700 203 D CB -1.651 39.091 40.800 -0.098 0.000 1.076 203 D HN 0.551 nan 8.370 nan 0.000 0.430 204 Y N -0.338 119.951 120.300 -0.018 0.000 2.549 204 Y HA 0.522 5.070 4.550 -0.002 0.000 0.339 204 Y C 0.856 176.747 175.900 -0.015 0.000 1.053 204 Y CA -0.880 57.216 58.100 -0.006 0.000 1.105 204 Y CB 1.653 40.100 38.460 -0.022 0.000 1.258 204 Y HN -0.175 nan 8.280 nan 0.000 0.478 205 R N 3.724 124.346 120.500 0.204 0.000 2.502 205 R HA 0.465 4.803 4.340 -0.002 0.000 0.300 205 R C -3.233 173.121 176.300 0.089 0.000 0.984 205 R CA -2.027 54.117 56.100 0.073 0.000 0.882 205 R CB 1.766 32.073 30.300 0.012 0.000 1.180 205 R HN 0.319 nan 8.270 nan 0.000 0.444 206 P HA 0.185 nan 4.420 nan 0.000 0.282 206 P C -1.235 175.980 177.300 -0.142 0.000 1.249 206 P CA -0.240 62.847 63.100 -0.023 0.000 0.806 206 P CB 1.037 32.675 31.700 -0.103 0.000 0.984 207 H N 2.064 121.110 119.070 -0.040 0.000 2.595 207 H HA 0.243 4.798 4.556 -0.002 0.000 0.313 207 H C -0.285 174.976 175.328 -0.111 0.000 1.023 207 H CA -0.846 55.174 56.048 -0.047 0.000 1.218 207 H CB 1.518 31.282 29.762 0.003 0.000 1.403 207 H HN 0.299 nan 8.280 nan 0.000 0.477 208 L N 5.371 126.542 121.223 -0.086 0.000 2.360 208 L HA 0.241 4.579 4.340 -0.002 0.000 0.276 208 L C -0.435 176.405 176.870 -0.050 0.000 1.121 208 L CA 0.089 54.844 54.840 -0.141 0.000 0.845 208 L CB 0.026 41.871 42.059 -0.356 0.000 1.143 208 L HN 0.501 nan 8.230 nan 0.000 0.452 209 I N 5.593 126.184 120.570 0.036 0.000 2.437 209 I HA 0.299 4.467 4.170 -0.002 0.000 0.279 209 I C 1.002 177.385 176.117 0.443 0.000 1.028 209 I CA -0.262 61.122 61.300 0.139 0.000 1.142 209 I CB 1.470 39.453 38.000 -0.029 0.000 1.266 209 I HN 0.770 nan 8.210 nan 0.000 0.461 210 G N 3.948 113.049 108.800 0.501 0.000 2.662 210 G HA2 0.058 4.016 3.960 -0.002 0.000 0.212 210 G HA3 0.058 4.016 3.960 -0.002 0.000 0.212 210 G C 0.830 175.804 174.900 0.122 0.000 1.141 210 G CA 0.056 45.422 45.100 0.444 0.000 0.797 210 G HN 0.635 nan 8.290 nan 0.000 0.531 211 G N 0.748 109.667 108.800 0.198 0.000 2.546 211 G HA2 0.520 4.479 3.960 -0.002 0.000 0.320 211 G HA3 0.520 4.479 3.960 -0.002 0.000 0.320 211 G C -0.729 174.364 174.900 0.321 0.000 0.984 211 G CA -0.479 44.716 45.100 0.159 0.000 1.183 211 G HN 0.341 nan 8.290 nan 0.000 0.443 212 F N 0.286 120.395 119.950 0.265 0.000 2.686 212 F HA 0.592 5.118 4.527 -0.002 0.000 0.311 212 F C -0.728 175.108 175.800 0.060 0.000 1.128 212 F CA -2.230 55.852 58.000 0.136 0.000 0.946 212 F CB 1.028 40.025 39.000 -0.005 0.000 1.336 212 F HN 0.133 nan 8.300 nan 0.000 0.457 213 I N 2.518 123.168 120.570 0.133 0.000 2.329 213 I HA 0.123 4.292 4.170 -0.002 0.000 0.295 213 I C 0.046 176.249 176.117 0.143 0.000 1.109 213 I CA 0.100 61.417 61.300 0.028 0.000 1.297 213 I CB 0.219 38.126 38.000 -0.154 0.000 1.433 213 I HN 0.634 nan 8.210 nan 0.000 0.509 214 D N 3.520 124.000 120.400 0.134 0.000 2.116 214 D HA -0.269 4.370 4.640 -0.002 0.000 0.193 214 D C 1.924 178.252 176.300 0.046 0.000 0.998 214 D CA 1.476 55.580 54.000 0.174 0.000 0.836 214 D CB 0.070 40.874 40.800 0.007 0.000 0.951 214 D HN 0.656 nan 8.370 nan 0.000 0.449 215 E N 0.214 120.401 120.200 -0.021 0.000 2.097 215 E HA -0.271 4.078 4.350 -0.002 0.000 0.196 215 E C 1.998 178.554 176.600 -0.075 0.000 1.000 215 E CA 1.290 57.663 56.400 -0.045 0.000 0.804 215 E CB -0.097 29.574 29.700 -0.048 0.000 0.740 215 E HN 0.291 nan 8.360 nan 0.000 0.454 216 A N 0.284 123.050 122.820 -0.089 0.000 1.898 216 A HA -0.099 4.220 4.320 -0.002 0.000 0.216 216 A C 2.386 179.855 177.584 -0.191 0.000 1.181 216 A CA 1.338 53.288 52.037 -0.145 0.000 0.620 216 A CB -0.489 18.410 19.000 -0.168 0.000 0.819 216 A HN 0.224 nan 8.150 nan 0.000 0.442 217 V N 1.058 120.869 119.914 -0.171 0.000 2.358 217 V HA -0.222 3.896 4.120 -0.002 0.000 0.246 217 V C 2.211 178.157 176.094 -0.247 0.000 1.047 217 V CA 2.020 64.163 62.300 -0.262 0.000 1.035 217 V CB -0.958 30.637 31.823 -0.379 0.000 0.658 217 V HN 0.534 nan 8.190 nan 0.000 0.452 218 N N 0.357 118.961 118.700 -0.161 0.000 2.188 218 N HA -0.144 4.594 4.740 -0.002 0.000 0.184 218 N C 1.534 176.924 175.510 -0.199 0.000 1.018 218 N CA 1.494 54.457 53.050 -0.145 0.000 0.858 218 N CB -0.439 38.020 38.487 -0.047 0.000 0.989 218 N HN 0.455 nan 8.380 nan 0.000 0.426 219 D N 1.073 121.344 120.400 -0.214 0.000 2.117 219 D HA -0.111 4.528 4.640 -0.002 0.000 0.197 219 D C 2.102 178.058 176.300 -0.574 0.000 0.987 219 D CA 0.325 54.145 54.000 -0.299 0.000 0.829 219 D CB -0.386 40.278 40.800 -0.227 0.000 0.961 219 D HN 0.205 nan 8.370 nan 0.000 0.460 220 L N 0.200 121.128 121.223 -0.491 0.000 2.042 220 L HA -0.140 4.198 4.340 -0.002 0.000 0.210 220 L C 2.013 178.505 176.870 -0.630 0.000 1.076 220 L CA 1.191 55.695 54.840 -0.559 0.000 0.749 220 L CB -0.105 41.740 42.059 -0.356 0.000 0.893 220 L HN 0.013 nan 8.230 nan 0.000 0.432 221 L N -1.295 119.669 121.223 -0.432 0.000 2.478 221 L HA -0.073 4.265 4.340 -0.002 0.000 0.223 221 L C 0.198 177.065 176.870 -0.005 0.000 1.140 221 L CA 0.041 54.738 54.840 -0.239 0.000 0.842 221 L CB -0.224 41.619 42.059 -0.361 0.000 0.953 221 L HN 0.296 nan 8.230 nan 0.000 0.452 222 Y N -0.555 119.689 120.300 -0.094 0.000 3.305 222 Y HA -0.204 4.345 4.550 -0.001 0.000 0.209 222 Y C 0.333 176.210 175.900 -0.038 0.000 1.354 222 Y CA 0.148 58.203 58.100 -0.074 0.000 1.392 222 Y CB -2.241 36.173 38.460 -0.077 0.000 1.446 222 Y HN 0.225 nan 8.280 nan 0.000 0.553 223 I N -3.031 117.548 120.570 0.015 0.000 2.750 223 I HA 0.664 4.833 4.170 -0.002 0.000 0.308 223 I C 0.226 176.353 176.117 0.016 0.000 1.016 223 I CA -1.195 60.110 61.300 0.008 0.000 1.098 223 I CB 1.909 39.887 38.000 -0.036 0.000 1.279 223 I HN -0.033 nan 8.210 nan 0.000 0.454 224 D N 6.132 126.548 120.400 0.028 0.000 2.336 224 D HA 0.234 4.873 4.640 -0.002 0.000 0.249 224 D C -1.653 174.705 176.300 0.096 0.000 1.213 224 D CA -2.448 51.585 54.000 0.054 0.000 0.870 224 D CB 1.382 42.210 40.800 0.046 0.000 1.076 224 D HN 0.368 nan 8.370 nan 0.000 0.483 225 P HA -0.045 nan 4.420 nan 0.000 0.237 225 P C 1.472 179.040 177.300 0.448 0.000 1.178 225 P CA 0.396 63.642 63.100 0.243 0.000 0.766 225 P CB 0.391 32.222 31.700 0.219 0.000 0.876 226 L N -1.026 120.389 121.223 0.320 0.000 2.418 226 L HA -0.011 4.327 4.340 -0.002 0.000 0.218 226 L C 2.329 179.435 176.870 0.393 0.000 1.125 226 L CA 0.920 55.946 54.840 0.310 0.000 0.835 226 L CB -0.405 41.731 42.059 0.128 0.000 0.953 226 L HN -0.032 nan 8.230 nan 0.000 0.454 227 Q N -0.925 119.050 119.800 0.292 0.000 2.378 227 Q HA 0.219 4.557 4.340 -0.002 0.000 0.229 227 Q C 0.195 176.141 176.000 -0.091 0.000 0.882 227 Q CA 0.324 56.251 55.803 0.208 0.000 0.936 227 Q CB 1.403 30.193 28.738 0.087 0.000 1.092 227 Q HN 0.399 nan 8.270 nan 0.000 0.535 228 E N -1.023 119.066 120.200 -0.186 0.000 2.352 228 E HA 0.583 4.932 4.350 -0.002 0.000 0.280 228 E C -1.411 175.003 176.600 -0.310 0.000 0.930 228 E CA -0.505 55.595 56.400 -0.500 0.000 0.765 228 E CB 1.964 31.549 29.700 -0.192 0.000 1.219 228 E HN 0.124 nan 8.360 nan 0.000 0.434 229 G N 1.265 109.829 108.800 -0.395 0.000 2.753 229 G HA2 0.592 4.551 3.960 -0.002 0.000 0.297 229 G HA3 0.592 4.551 3.960 -0.002 0.000 0.297 229 G C -1.036 173.889 174.900 0.040 0.000 1.430 229 G CA -0.214 44.875 45.100 -0.017 0.000 1.040 229 G HN 0.570 nan 8.290 nan 0.000 0.530 230 A N 1.285 124.155 122.820 0.083 0.000 2.520 230 A HA 0.491 4.809 4.320 -0.002 0.000 0.245 230 A C 1.210 178.990 177.584 0.328 0.000 1.072 230 A CA 0.366 52.443 52.037 0.068 0.000 0.761 230 A CB -0.200 18.700 19.000 -0.166 0.000 1.004 230 A HN 1.438 nan 8.150 nan 0.000 0.499 231 I N -0.958 119.783 120.570 0.286 0.000 4.327 231 I HA 0.616 4.784 4.170 -0.002 0.000 0.331 231 I C 0.515 176.894 176.117 0.437 0.000 1.348 231 I CA 0.349 61.882 61.300 0.389 0.000 1.152 231 I CB 0.307 38.432 38.000 0.208 0.000 1.151 231 I HN 0.562 nan 8.210 nan 0.000 0.410 232 A N 1.138 124.143 122.820 0.309 0.000 2.488 232 A HA 0.745 5.064 4.320 -0.002 0.000 0.295 232 A C -1.206 176.402 177.584 0.040 0.000 1.045 232 A CA -0.403 51.822 52.037 0.315 0.000 0.703 232 A CB 1.870 21.043 19.000 0.289 0.000 1.271 232 A HN -0.031 nan 8.150 nan 0.000 0.400 233 V N 2.466 122.381 119.914 0.002 0.000 2.417 233 V HA 0.593 4.712 4.120 -0.002 0.000 0.291 233 V C -0.933 175.118 176.094 -0.072 0.000 1.024 233 V CA -0.295 61.915 62.300 -0.151 0.000 0.861 233 V CB 1.221 32.857 31.823 -0.312 0.000 0.985 233 V HN 0.686 nan 8.190 nan 0.000 0.436 234 L N 7.190 128.366 121.223 -0.079 0.000 2.490 234 L HA 0.449 4.787 4.340 -0.002 0.000 0.256 234 L C -2.616 174.244 176.870 -0.017 0.000 1.089 234 L CA -1.245 53.564 54.840 -0.052 0.000 0.916 234 L CB 1.497 43.517 42.059 -0.065 0.000 1.188 234 L HN 0.406 nan 8.230 nan 0.000 0.476 235 P HA 0.061 nan 4.420 nan 0.000 0.265 235 P C -0.650 176.735 177.300 0.141 0.000 1.187 235 P CA 0.283 63.440 63.100 0.094 0.000 0.766 235 P CB 0.543 32.294 31.700 0.086 0.000 0.820 236 L N 2.333 123.647 121.223 0.152 0.000 2.277 236 L HA 0.517 4.856 4.340 -0.002 0.000 0.284 236 L C 0.526 177.604 176.870 0.346 0.000 1.028 236 L CA -0.824 54.118 54.840 0.171 0.000 0.835 236 L CB 1.012 43.026 42.059 -0.074 0.000 1.215 236 L HN 0.340 nan 8.230 nan 0.000 0.425 237 A N 2.187 125.236 122.820 0.382 0.000 2.320 237 A HA 0.236 4.555 4.320 -0.002 0.000 0.287 237 A C -0.275 177.431 177.584 0.203 0.000 1.181 237 A CA -0.464 51.742 52.037 0.281 0.000 0.831 237 A CB 0.386 19.550 19.000 0.273 0.000 1.102 237 A HN 0.652 nan 8.150 nan 0.000 0.513 238 D N 3.126 123.526 120.400 0.001 0.000 2.374 238 D HA 0.186 4.824 4.640 -0.002 0.000 0.240 238 D C 0.867 177.035 176.300 -0.219 0.000 1.229 238 D CA -0.100 53.660 54.000 -0.399 0.000 0.895 238 D CB 0.373 41.001 40.800 -0.286 0.000 1.046 238 D HN 0.479 nan 8.370 nan 0.000 0.498 239 L N 3.442 124.534 121.223 -0.218 0.000 2.456 239 L HA -0.074 4.265 4.340 -0.002 0.000 0.224 239 L C 1.979 178.791 176.870 -0.097 0.000 1.148 239 L CA 0.393 55.172 54.840 -0.102 0.000 0.825 239 L CB -0.086 41.934 42.059 -0.064 0.000 0.937 239 L HN 0.456 nan 8.230 nan 0.000 0.450 240 L N -0.902 120.238 121.223 -0.139 0.000 2.554 240 L HA 0.019 4.357 4.340 -0.002 0.000 0.226 240 L C 0.531 177.357 176.870 -0.074 0.000 1.137 240 L CA 0.184 54.969 54.840 -0.093 0.000 0.863 240 L CB -0.241 41.762 42.059 -0.095 0.000 0.985 240 L HN 0.149 nan 8.230 nan 0.000 0.451 241 D N 0.338 120.689 120.400 -0.081 0.000 2.373 241 D HA 0.183 4.822 4.640 -0.002 0.000 0.227 241 D C 1.147 177.423 176.300 -0.040 0.000 1.091 241 D CA -0.246 53.717 54.000 -0.061 0.000 0.840 241 D CB 1.176 41.934 40.800 -0.070 0.000 1.060 241 D HN -0.006 nan 8.370 nan 0.000 0.502 242 I N 2.309 122.862 120.570 -0.029 0.000 2.236 242 I HA -0.309 3.859 4.170 -0.002 0.000 0.249 242 I C 2.011 178.122 176.117 -0.009 0.000 1.102 242 I CA 0.984 62.274 61.300 -0.016 0.000 1.365 242 I CB -0.026 37.966 38.000 -0.013 0.000 1.051 242 I HN 0.443 nan 8.210 nan 0.000 0.420 243 Q N 0.360 120.151 119.800 -0.015 0.000 2.437 243 Q HA -0.144 4.195 4.340 -0.002 0.000 0.210 243 Q C 1.581 177.579 176.000 -0.003 0.000 0.972 243 Q CA 1.026 56.823 55.803 -0.009 0.000 0.903 243 Q CB -0.088 28.640 28.738 -0.017 0.000 0.967 243 Q HN 0.668 nan 8.270 nan 0.000 0.486 244 Q N -0.155 119.643 119.800 -0.003 0.000 2.282 244 Q HA 0.124 4.463 4.340 -0.002 0.000 0.206 244 Q C -0.038 175.989 176.000 0.046 0.000 0.878 244 Q CA -0.212 55.599 55.803 0.014 0.000 0.944 244 Q CB 0.485 29.228 28.738 0.008 0.000 1.100 244 Q HN 0.276 nan 8.270 nan 0.000 0.509 245 N N 2.409 121.131 118.700 0.037 0.000 2.895 245 N HA 0.135 4.873 4.740 -0.002 0.000 0.277 245 N C -0.353 175.198 175.510 0.068 0.000 1.185 245 N CA 0.201 53.284 53.050 0.056 0.000 1.106 245 N CB 0.264 38.770 38.487 0.031 0.000 1.422 245 N HN 0.342 nan 8.380 nan 0.000 0.521 246 I N -2.218 118.415 120.570 0.104 0.000 2.822 246 I HA 0.431 4.599 4.170 -0.002 0.000 0.312 246 I C 0.708 176.926 176.117 0.169 0.000 1.011 246 I CA -0.941 60.416 61.300 0.095 0.000 1.105 246 I CB 1.640 39.654 38.000 0.024 0.000 1.291 246 I HN -0.042 nan 8.210 nan 0.000 0.474 247 S N 3.418 119.194 115.700 0.127 0.000 2.560 247 S HA 0.323 4.792 4.470 -0.002 0.000 0.284 247 S C -2.116 172.619 174.600 0.225 0.000 1.327 247 S CA -0.752 57.530 58.200 0.136 0.000 1.055 247 S CB -0.105 63.145 63.200 0.084 0.000 0.868 247 S HN 0.533 nan 8.310 nan 0.000 0.506 248 P HA 0.302 nan 4.420 nan 0.000 0.268 248 P C 0.246 177.655 177.300 0.183 0.000 1.208 248 P CA -0.155 63.059 63.100 0.189 0.000 0.777 248 P CB 0.404 32.140 31.700 0.059 0.000 0.875 249 G N -0.110 108.834 108.800 0.240 0.000 3.217 249 G HA2 0.321 4.279 3.960 -0.002 0.000 0.213 249 G HA3 0.321 4.279 3.960 -0.002 0.000 0.213 249 G C -1.008 173.990 174.900 0.163 0.000 1.294 249 G CA -0.442 44.755 45.100 0.163 0.000 0.987 249 G HN 0.631 nan 8.290 nan 0.000 0.584 250 C N 1.760 121.137 119.300 0.128 0.000 2.520 250 C HA 0.482 4.940 4.460 -0.002 0.000 0.369 250 C C 2.126 177.277 174.990 0.269 0.000 1.244 250 C CA 0.431 59.541 59.018 0.154 0.000 1.677 250 C CB -1.084 26.709 27.740 0.088 0.000 2.324 250 C HN 0.753 nan 8.230 nan 0.000 0.557 251 T N 2.552 117.203 114.554 0.161 0.000 3.081 251 T HA 0.370 4.718 4.350 -0.002 0.000 0.255 251 T C 0.451 175.213 174.700 0.104 0.000 1.113 251 T CA 0.634 62.798 62.100 0.107 0.000 1.082 251 T CB 0.058 68.900 68.868 -0.044 0.000 0.939 251 T HN 1.164 nan 8.240 nan 0.000 0.506 252 A N 0.523 123.367 122.820 0.041 0.000 2.520 252 A HA 0.755 5.074 4.320 -0.002 0.000 0.298 252 A C -1.345 176.324 177.584 0.141 0.000 1.051 252 A CA -0.931 51.006 52.037 -0.166 0.000 0.690 252 A CB 1.312 19.839 19.000 -0.788 0.000 1.281 252 A HN 0.354 nan 8.150 nan 0.000 0.402 253 L N 2.175 123.537 121.223 0.232 0.000 2.354 253 L HA 0.635 4.974 4.340 -0.002 0.000 0.264 253 L C -2.353 174.767 176.870 0.417 0.000 1.008 253 L CA -2.335 52.672 54.840 0.280 0.000 0.819 253 L CB 3.025 45.143 42.059 0.098 0.000 1.339 253 L HN 0.508 nan 8.230 nan 0.000 0.420 254 P HA 0.166 nan 4.420 nan 0.000 0.278 254 P C -0.903 176.449 177.300 0.086 0.000 1.238 254 P CA -0.359 62.880 63.100 0.233 0.000 0.794 254 P CB 1.531 33.273 31.700 0.070 0.000 0.955 255 S N 1.354 117.082 115.700 0.046 0.000 2.745 255 S HA 0.746 5.215 4.470 -0.002 0.000 0.292 255 S C 0.292 174.893 174.600 0.001 0.000 1.127 255 S CA -0.717 57.469 58.200 -0.022 0.000 1.007 255 S CB 0.563 63.705 63.200 -0.097 0.000 1.165 255 S HN 0.613 nan 8.310 nan 0.000 0.544 256 A N 0.391 123.206 122.820 -0.008 0.000 2.310 256 A HA 0.558 4.877 4.320 -0.002 0.000 0.260 256 A C 0.251 177.858 177.584 0.040 0.000 1.112 256 A CA -0.357 51.689 52.037 0.014 0.000 0.804 256 A CB -0.508 18.499 19.000 0.012 0.000 1.081 256 A HN 0.811 nan 8.150 nan 0.000 0.499 257 T N 1.271 115.861 114.554 0.059 0.000 2.772 257 T HA 0.394 4.742 4.350 -0.002 0.000 0.288 257 T C -0.465 174.301 174.700 0.109 0.000 0.994 257 T CA -0.261 61.895 62.100 0.093 0.000 0.951 257 T CB 0.765 69.688 68.868 0.091 0.000 0.933 257 T HN 0.636 nan 8.240 nan 0.000 0.447 258 E N 2.617 122.909 120.200 0.154 0.000 2.081 258 E HA 0.251 4.600 4.350 -0.002 0.000 0.276 258 E C 0.646 177.401 176.600 0.258 0.000 0.950 258 E CA -0.431 56.081 56.400 0.187 0.000 0.776 258 E CB 0.655 30.494 29.700 0.233 0.000 1.094 258 E HN 0.748 nan 8.360 nan 0.000 0.402 259 T N 0.639 115.284 114.554 0.152 0.000 3.001 259 T HA -0.001 4.347 4.350 -0.002 0.000 0.251 259 T C 0.577 175.116 174.700 -0.267 0.000 1.040 259 T CA -0.340 61.811 62.100 0.086 0.000 0.985 259 T CB -0.125 68.755 68.868 0.021 0.000 1.011 259 T HN 0.370 nan 8.240 nan 0.000 0.509 260 N N 1.967 120.583 118.700 -0.140 0.000 3.271 260 N HA 0.144 4.883 4.740 -0.002 0.000 0.303 260 N C -0.663 174.787 175.510 -0.100 0.000 1.415 260 N CA -1.078 51.836 53.050 -0.226 0.000 1.159 260 N CB -0.875 37.541 38.487 -0.118 0.000 1.432 260 N HN 0.645 nan 8.380 nan 0.000 0.521 261 Y N -1.149 119.111 120.300 -0.066 0.000 2.352 261 Y HA 0.773 5.321 4.550 -0.002 0.000 0.326 261 Y C -2.284 173.528 175.900 -0.146 0.000 1.166 261 Y CA -2.850 55.211 58.100 -0.065 0.000 1.182 261 Y CB 0.323 38.737 38.460 -0.078 0.000 1.216 261 Y HN 0.042 nan 8.280 nan 0.000 0.474 262 P HA 0.133 nan 4.420 nan 0.000 0.293 262 P C -1.038 176.212 177.300 -0.083 0.000 1.304 262 P CA -0.580 62.468 63.100 -0.087 0.000 0.767 262 P CB 0.821 32.477 31.700 -0.073 0.000 1.247 263 Q N -0.071 119.682 119.800 -0.079 0.000 2.307 263 Q HA 0.282 4.620 4.340 -0.002 0.000 0.259 263 Q C -0.679 175.263 176.000 -0.096 0.000 0.998 263 Q CA -0.171 55.601 55.803 -0.052 0.000 0.923 263 Q CB 0.431 29.150 28.738 -0.032 0.000 1.196 263 Q HN 0.145 nan 8.270 nan 0.000 0.416 264 V N 6.584 126.430 119.914 -0.113 0.000 2.328 264 V HA 0.272 4.391 4.120 -0.002 0.000 0.278 264 V C -2.009 174.030 176.094 -0.091 0.000 1.021 264 V CA -1.816 60.376 62.300 -0.180 0.000 0.838 264 V CB 1.276 32.879 31.823 -0.367 0.000 0.999 264 V HN 0.599 nan 8.190 nan 0.000 0.447 265 P HA 0.082 nan 4.420 nan 0.000 0.267 265 P C -0.320 176.947 177.300 -0.056 0.000 1.200 265 P CA -0.183 62.886 63.100 -0.051 0.000 0.772 265 P CB 0.391 32.068 31.700 -0.037 0.000 0.855 266 D N 1.017 121.380 120.400 -0.061 0.000 2.506 266 D HA 0.210 4.849 4.640 -0.002 0.000 0.234 266 D C 1.631 177.906 176.300 -0.042 0.000 1.143 266 D CA 1.889 55.847 54.000 -0.069 0.000 0.871 266 D CB 0.141 40.895 40.800 -0.075 0.000 1.190 266 D HN 0.664 nan 8.370 nan 0.000 0.459 267 G N 2.332 111.113 108.800 -0.031 0.000 2.268 267 G HA2 -0.321 3.638 3.960 -0.002 0.000 0.240 267 G HA3 -0.321 3.638 3.960 -0.002 0.000 0.240 267 G C 0.802 175.714 174.900 0.020 0.000 1.010 267 G CA 0.248 45.349 45.100 0.002 0.000 0.618 267 G HN 0.546 nan 8.290 nan 0.000 0.516 268 E N -0.607 119.596 120.200 0.006 0.000 2.489 268 E HA 0.354 4.703 4.350 -0.002 0.000 0.204 268 E C 2.118 178.745 176.600 0.045 0.000 1.006 268 E CA 0.050 56.464 56.400 0.023 0.000 0.936 268 E CB 0.379 30.082 29.700 0.005 0.000 1.002 268 E HN 0.360 nan 8.360 nan 0.000 0.488 269 L N 1.139 122.376 121.223 0.024 0.000 2.109 269 L HA -0.025 4.313 4.340 -0.002 0.000 0.207 269 L C 1.964 178.912 176.870 0.130 0.000 1.086 269 L CA 1.211 56.083 54.840 0.053 0.000 0.760 269 L CB -0.215 41.826 42.059 -0.030 0.000 0.910 269 L HN 0.173 nan 8.230 nan 0.000 0.437 270 L N -0.600 120.683 121.223 0.101 0.000 1.989 270 L HA -0.277 4.062 4.340 -0.002 0.000 0.211 270 L C 2.506 179.312 176.870 -0.106 0.000 1.071 270 L CA 1.810 56.670 54.840 0.033 0.000 0.749 270 L CB -0.324 41.783 42.059 0.080 0.000 0.890 270 L HN 0.237 nan 8.230 nan 0.000 0.431 271 K N -1.415 118.949 120.400 -0.060 0.000 2.097 271 K HA -0.219 4.099 4.320 -0.002 0.000 0.205 271 K C 2.057 178.700 176.600 0.072 0.000 1.050 271 K CA 1.645 57.885 56.287 -0.079 0.000 0.938 271 K CB -0.441 32.020 32.500 -0.064 0.000 0.718 271 K HN 0.323 nan 8.250 nan 0.000 0.442 272 Y N 0.879 121.185 120.300 0.009 0.000 2.081 272 Y HA -0.327 4.221 4.550 -0.002 0.000 0.280 272 Y C 2.114 178.101 175.900 0.146 0.000 1.163 272 Y CA 1.666 59.809 58.100 0.072 0.000 1.135 272 Y CB -0.370 38.062 38.460 -0.048 0.000 0.970 272 Y HN 0.011 nan 8.280 nan 0.000 0.498 273 F N 0.104 120.036 119.950 -0.030 0.000 2.134 273 F HA -0.175 4.351 4.527 -0.002 0.000 0.299 273 F C 2.534 178.096 175.800 -0.397 0.000 1.097 273 F CA 2.239 60.083 58.000 -0.262 0.000 1.264 273 F CB -1.056 37.634 39.000 -0.517 0.000 1.001 273 F HN 0.282 nan 8.300 nan 0.000 0.479 274 H N -1.153 117.557 119.070 -0.599 0.000 2.353 274 H HA -0.127 4.427 4.556 -0.002 0.000 0.300 274 H C 2.199 177.306 175.328 -0.369 0.000 1.090 274 H CA 2.376 58.083 56.048 -0.568 0.000 1.327 274 H CB -0.479 29.027 29.762 -0.427 0.000 1.383 274 H HN 0.349 nan 8.280 nan 0.000 0.508 275 H N -1.608 117.295 119.070 -0.278 0.000 2.555 275 H HA -0.022 4.532 4.556 -0.003 0.000 0.269 275 H C 0.656 175.677 175.328 -0.512 0.000 0.988 275 H CA 0.780 56.638 56.048 -0.317 0.000 1.178 275 H CB 0.346 29.986 29.762 -0.203 0.000 1.373 275 H HN 0.594 nan 8.280 nan 0.000 0.588 276 H N -0.637 118.191 119.070 -0.403 0.000 2.486 276 H HA 0.083 4.638 4.556 -0.002 0.000 0.284 276 H C 0.841 175.956 175.328 -0.355 0.000 1.103 276 H CA 0.240 56.067 56.048 -0.368 0.000 1.089 276 H CB 0.632 30.129 29.762 -0.441 0.000 1.603 276 H HN 0.210 nan 8.280 nan 0.000 0.557 277 T N -2.659 111.633 114.554 -0.437 0.000 3.231 277 T HA 0.091 4.439 4.350 -0.002 0.000 0.292 277 T C 0.576 175.018 174.700 -0.429 0.000 1.001 277 T CA -0.717 61.103 62.100 -0.465 0.000 0.920 277 T CB 0.075 68.524 68.868 -0.699 0.000 1.140 277 T HN 0.382 nan 8.240 nan 0.000 0.525 278 Q N 0.990 120.555 119.800 -0.392 0.000 2.382 278 Q HA 0.629 4.967 4.340 -0.002 0.000 0.229 278 Q C -0.579 175.294 176.000 -0.213 0.000 1.006 278 Q CA -0.747 54.858 55.803 -0.331 0.000 0.916 278 Q CB 0.917 29.469 28.738 -0.309 0.000 1.235 278 Q HN 0.394 nan 8.270 nan 0.000 0.512 279 I N 1.167 121.640 120.570 -0.162 0.000 2.460 279 I HA 0.303 4.471 4.170 -0.002 0.000 0.298 279 I C -0.450 175.678 176.117 0.018 0.000 0.989 279 I CA -0.611 60.664 61.300 -0.042 0.000 1.173 279 I CB 2.134 40.146 38.000 0.020 0.000 1.338 279 I HN 0.678 nan 8.210 nan 0.000 0.456 280 S N 3.123 118.864 115.700 0.068 0.000 2.689 280 S HA 0.697 5.166 4.470 -0.002 0.000 0.306 280 S C -0.151 174.557 174.600 0.180 0.000 1.104 280 S CA -0.724 57.519 58.200 0.072 0.000 0.973 280 S CB 1.844 65.058 63.200 0.023 0.000 1.121 280 S HN 0.714 nan 8.310 nan 0.000 0.523 281 A N 1.845 124.736 122.820 0.119 0.000 2.555 281 A HA 0.396 4.714 4.320 -0.002 0.000 0.233 281 A C 0.594 178.299 177.584 0.201 0.000 1.060 281 A CA -0.251 51.891 52.037 0.174 0.000 0.759 281 A CB -0.368 18.677 19.000 0.076 0.000 0.995 281 A HN 0.912 nan 8.150 nan 0.000 0.506 282 S N 1.761 117.623 115.700 0.270 0.000 2.548 282 S HA 0.375 4.843 4.470 -0.002 0.000 0.277 282 S C 0.985 175.646 174.600 0.101 0.000 1.315 282 S CA -0.476 57.818 58.200 0.156 0.000 1.050 282 S CB 0.595 63.879 63.200 0.140 0.000 0.918 282 S HN 0.477 nan 8.310 nan 0.000 0.497 283 I N 1.769 122.377 120.570 0.062 0.000 2.252 283 I HA -0.169 4.000 4.170 -0.002 0.000 0.245 283 I C 2.368 178.509 176.117 0.041 0.000 1.102 283 I CA 1.510 62.836 61.300 0.044 0.000 1.385 283 I CB -0.760 37.257 38.000 0.029 0.000 1.064 283 I HN 0.897 nan 8.210 nan 0.000 0.414 284 T N -1.800 112.776 114.554 0.037 0.000 3.274 284 T HA 0.586 4.935 4.350 -0.002 0.000 0.186 284 T C 0.617 175.343 174.700 0.043 0.000 0.799 284 T CA 0.264 62.383 62.100 0.031 0.000 1.611 284 T CB -0.018 68.860 68.868 0.016 0.000 2.155 284 T HN 0.316 nan 8.240 nan 0.000 0.427 299 E N -0.674 119.504 120.200 -0.036 0.000 2.336 299 E HA 0.523 4.872 4.350 -0.002 0.000 0.267 299 E C -0.691 175.884 176.600 -0.042 0.000 0.906 299 E CA -0.778 55.598 56.400 -0.040 0.000 0.781 299 E CB 1.652 31.326 29.700 -0.045 0.000 1.261 299 E HN -0.043 nan 8.360 nan 0.000 0.436 300 D N 1.293 121.675 120.400 -0.030 0.000 2.382 300 D HA -0.010 4.629 4.640 -0.002 0.000 0.245 300 D C 0.796 177.091 176.300 -0.009 0.000 1.120 300 D CA 0.000 54.005 54.000 0.007 0.000 0.890 300 D CB 1.286 42.117 40.800 0.051 0.000 1.201 300 D HN 0.455 nan 8.370 nan 0.000 0.433 301 K N 1.745 122.124 120.400 -0.035 0.000 2.032 301 K HA -0.180 4.138 4.320 -0.002 0.000 0.209 301 K C -0.075 176.228 176.600 -0.496 0.000 1.048 301 K CA 1.252 57.368 56.287 -0.286 0.000 0.927 301 K CB 0.053 32.308 32.500 -0.409 0.000 0.712 301 K HN 0.384 nan 8.250 nan 0.000 0.441 302 Y N 1.270 121.398 120.300 -0.287 0.000 2.369 302 Y HA 0.188 4.736 4.550 -0.002 0.000 0.337 302 Y C 0.665 176.262 175.900 -0.506 0.000 0.961 302 Y CA -0.935 56.753 58.100 -0.686 0.000 1.186 302 Y CB 1.313 39.002 38.460 -1.285 0.000 1.139 302 Y HN 0.071 nan 8.280 nan 0.000 0.494 303 N N 2.385 120.919 118.700 -0.277 0.000 2.188 303 N HA -0.140 4.599 4.740 -0.002 0.000 0.184 303 N C 0.121 175.609 175.510 -0.036 0.000 1.018 303 N CA 0.691 53.663 53.050 -0.128 0.000 0.858 303 N CB -0.238 38.157 38.487 -0.153 0.000 0.989 303 N HN 0.656 nan 8.380 nan 0.000 0.426 304 F N 0.133 120.061 119.950 -0.038 0.000 2.783 304 F HA -0.162 4.364 4.527 -0.002 0.000 0.222 304 F C -1.298 174.439 175.800 -0.105 0.000 1.028 304 F CA -0.232 57.744 58.000 -0.040 0.000 0.862 304 F CB -1.479 37.528 39.000 0.013 0.000 0.744 304 F HN 0.206 nan 8.300 nan 0.000 0.850 305 P HA -0.138 nan 4.420 nan 0.000 0.223 305 P C 1.095 178.152 177.300 -0.405 0.000 1.151 305 P CA 1.417 64.276 63.100 -0.403 0.000 0.787 305 P CB 0.000 31.239 31.700 -0.768 0.000 0.788 306 F N -1.017 118.999 119.950 0.110 0.000 2.647 306 F HA 0.205 4.731 4.527 -0.002 0.000 0.300 306 F C 1.193 177.040 175.800 0.078 0.000 1.106 306 F CA -0.926 57.122 58.000 0.080 0.000 1.313 306 F CB -0.867 38.171 39.000 0.064 0.000 1.007 306 F HN -0.134 nan 8.300 nan 0.000 0.536 307 C N 0.962 120.382 119.300 0.200 0.000 2.365 307 C HA 0.552 5.010 4.460 -0.002 0.000 0.349 307 C C 0.469 175.524 174.990 0.109 0.000 1.191 307 C CA -1.254 57.844 59.018 0.133 0.000 2.114 307 C CB 1.143 28.940 27.740 0.096 0.000 2.367 307 C HN 0.225 nan 8.230 nan 0.000 0.530 308 L N 3.940 125.208 121.223 0.075 0.000 2.540 308 L HA 0.179 4.518 4.340 -0.002 0.000 0.276 308 L C 0.375 177.317 176.870 0.119 0.000 1.212 308 L CA 0.949 55.837 54.840 0.079 0.000 0.893 308 L CB -0.096 41.995 42.059 0.053 0.000 1.138 308 L HN 0.764 nan 8.230 nan 0.000 0.491 309 K N 4.624 125.091 120.400 0.113 0.000 2.203 309 K HA 0.775 5.094 4.320 -0.002 0.000 0.251 309 K C -1.365 175.303 176.600 0.113 0.000 0.944 309 K CA -0.786 55.577 56.287 0.127 0.000 0.829 309 K CB 1.843 34.407 32.500 0.106 0.000 1.125 309 K HN 0.464 nan 8.250 nan 0.000 0.430 310 I N 1.084 121.731 120.570 0.128 0.000 2.571 310 I HA 0.122 4.290 4.170 -0.002 0.000 0.289 310 I C -0.355 175.859 176.117 0.162 0.000 1.115 310 I CA -0.509 60.862 61.300 0.119 0.000 1.045 310 I CB 2.127 40.161 38.000 0.057 0.000 1.238 310 I HN 0.754 nan 8.210 nan 0.000 0.424 311 S N 2.259 118.053 115.700 0.157 0.000 2.564 311 S HA 0.251 4.719 4.470 -0.002 0.000 0.278 311 S C 1.039 175.747 174.600 0.181 0.000 1.333 311 S CA 0.288 58.572 58.200 0.140 0.000 1.048 311 S CB 0.429 63.688 63.200 0.097 0.000 0.900 311 S HN 0.802 nan 8.310 nan 0.000 0.505 312 T N 1.235 115.864 114.554 0.124 0.000 3.085 312 T HA 0.248 4.597 4.350 -0.002 0.000 0.264 312 T C 0.231 174.921 174.700 -0.017 0.000 1.019 312 T CA -0.352 61.771 62.100 0.037 0.000 0.910 312 T CB -0.293 68.650 68.868 0.125 0.000 1.059 312 T HN 0.336 nan 8.240 nan 0.000 0.542 313 V N 2.644 122.566 119.914 0.013 0.000 2.584 313 V HA 0.333 4.452 4.120 -0.002 0.000 0.303 313 V C 0.578 176.649 176.094 -0.039 0.000 1.035 313 V CA 0.255 62.558 62.300 0.004 0.000 1.172 313 V CB 0.606 32.437 31.823 0.014 0.000 0.896 313 V HN 0.618 nan 8.190 nan 0.000 0.486 314 S N 3.783 119.467 115.700 -0.025 0.000 2.569 314 S HA 0.802 5.271 4.470 -0.002 0.000 0.280 314 S C -0.168 174.417 174.600 -0.026 0.000 1.111 314 S CA -0.130 58.042 58.200 -0.046 0.000 0.887 314 S CB 1.751 64.927 63.200 -0.040 0.000 1.095 314 S HN 1.187 nan 8.310 nan 0.000 0.476 315 A N 4.041 126.838 122.820 -0.039 0.000 2.425 315 A HA 0.624 4.943 4.320 -0.002 0.000 0.242 315 A C -2.370 175.200 177.584 -0.024 0.000 1.077 315 A CA -1.008 51.004 52.037 -0.041 0.000 0.781 315 A CB -0.442 18.531 19.000 -0.045 0.000 1.020 315 A HN 0.660 nan 8.150 nan 0.000 0.494 316 P HA 0.337 nan 4.420 nan 0.000 0.279 316 P C -0.531 176.806 177.300 0.062 0.000 1.252 316 P CA -0.296 62.779 63.100 -0.040 0.000 0.811 316 P CB 0.610 32.101 31.700 -0.348 0.000 1.035 317 I N 1.841 122.533 120.570 0.204 0.000 2.618 317 I HA -0.038 4.130 4.170 -0.002 0.000 0.284 317 I C 0.533 176.562 176.117 -0.147 0.000 1.146 317 I CA -0.172 61.059 61.300 -0.114 0.000 1.425 317 I CB -0.148 37.572 38.000 -0.467 0.000 1.383 317 I HN 0.355 nan 8.210 nan 0.000 0.562 318 Y N 6.540 126.645 120.300 -0.325 0.000 2.383 318 Y HA 0.163 4.712 4.550 -0.002 0.000 0.344 318 Y C -0.255 175.470 175.900 -0.293 0.000 0.986 318 Y CA -1.197 56.791 58.100 -0.186 0.000 1.175 318 Y CB 0.614 39.014 38.460 -0.101 0.000 1.152 318 Y HN 0.524 nan 8.280 nan 0.000 0.511 319 W N 4.795 125.831 121.300 -0.440 0.000 3.330 319 W HA 0.430 5.089 4.660 -0.002 0.000 0.348 319 W C 0.990 177.158 176.519 -0.584 0.000 1.205 319 W CA 0.518 57.615 57.345 -0.413 0.000 1.841 319 W CB -0.038 29.301 29.460 -0.203 0.000 1.084 319 W HN 1.058 nan 8.180 nan 0.000 0.665 320 G N 0.631 108.763 108.800 -1.114 0.000 2.781 320 G HA2 -0.223 3.735 3.960 -0.002 0.000 0.683 320 G HA3 -0.223 3.735 3.960 -0.002 0.000 0.683 320 G C -0.625 174.108 174.900 -0.277 0.000 1.390 320 G CA -0.638 44.063 45.100 -0.665 0.000 0.850 320 G HN 0.018 nan 8.290 nan 0.000 0.557 321 E N 0.233 120.433 120.200 0.001 0.000 2.415 321 E HA 0.303 4.651 4.350 -0.002 0.000 0.263 321 E C 1.385 178.009 176.600 0.039 0.000 0.995 321 E CA 0.937 57.387 56.400 0.083 0.000 0.915 321 E CB -0.367 29.396 29.700 0.104 0.000 0.951 321 E HN 1.554 nan 8.360 nan 0.000 0.449 322 N N 2.976 121.708 118.700 0.053 0.000 2.710 322 N HA -0.270 4.469 4.740 -0.002 0.000 0.249 322 N C 0.444 175.967 175.510 0.021 0.000 1.059 322 N CA 0.592 53.665 53.050 0.038 0.000 0.720 322 N CB -1.510 36.997 38.487 0.033 0.000 0.983 322 N HN 0.696 nan 8.380 nan 0.000 0.544 323 L N -2.992 118.242 121.223 0.019 0.000 4.232 323 L HA -0.347 3.991 4.340 -0.002 0.000 0.415 323 L C 1.960 178.834 176.870 0.008 0.000 1.168 323 L CA 0.691 55.537 54.840 0.009 0.000 0.966 323 L CB -2.375 39.665 42.059 -0.031 0.000 2.052 323 L HN 0.649 nan 8.230 nan 0.000 0.887 324 S N -1.576 114.129 115.700 0.008 0.000 2.370 324 S HA -0.209 4.259 4.470 -0.002 0.000 0.226 324 S C 1.334 175.956 174.600 0.037 0.000 1.033 324 S CA 1.524 59.733 58.200 0.016 0.000 1.011 324 S CB -0.063 63.145 63.200 0.013 0.000 0.852 324 S HN 0.528 nan 8.310 nan 0.000 0.457 325 D N 1.140 121.569 120.400 0.049 0.000 2.149 325 D HA 0.052 4.691 4.640 -0.002 0.000 0.201 325 D C 1.838 178.266 176.300 0.213 0.000 0.972 325 D CA 0.578 54.640 54.000 0.103 0.000 0.835 325 D CB -0.466 40.367 40.800 0.054 0.000 0.966 325 D HN 0.347 nan 8.370 nan 0.000 0.476 326 L N 1.417 122.783 121.223 0.238 0.000 2.046 326 L HA -0.143 4.195 4.340 -0.002 0.000 0.208 326 L C 1.847 178.709 176.870 -0.013 0.000 1.077 326 L CA 1.775 56.623 54.840 0.013 0.000 0.747 326 L CB -0.472 41.348 42.059 -0.397 0.000 0.896 326 L HN -0.013 nan 8.230 nan 0.000 0.432 327 E N -0.314 119.891 120.200 0.008 0.000 2.058 327 E HA -0.253 4.096 4.350 -0.002 0.000 0.194 327 E C 2.286 178.934 176.600 0.080 0.000 0.997 327 E CA 1.874 58.292 56.400 0.030 0.000 0.801 327 E CB -0.289 29.426 29.700 0.025 0.000 0.746 327 E HN 0.582 nan 8.360 nan 0.000 0.450 328 I N 1.078 121.700 120.570 0.087 0.000 2.226 328 I HA -0.170 3.998 4.170 -0.002 0.000 0.245 328 I C 1.615 177.814 176.117 0.138 0.000 1.100 328 I CA 0.651 62.019 61.300 0.114 0.000 1.374 328 I CB -0.406 37.646 38.000 0.087 0.000 1.057 328 I HN 0.031 nan 8.210 nan 0.000 0.413 332 K N 1.358 121.763 120.400 0.009 0.000 2.379 332 K HA 0.137 4.456 4.320 -0.002 0.000 0.194 332 K C 0.803 177.390 176.600 -0.021 0.000 1.031 332 K CA -0.246 56.025 56.287 -0.026 0.000 1.037 332 K CB 0.536 33.071 32.500 0.058 0.000 0.824 332 K HN 0.026 nan 8.250 nan 0.000 0.516 333 R N 2.099 122.599 120.500 -0.001 0.000 2.502 333 R HA 0.004 4.342 4.340 -0.002 0.000 0.292 333 R C -0.827 175.480 176.300 0.011 0.000 0.998 333 R CA 0.401 56.516 56.100 0.025 0.000 1.056 333 R CB 0.406 30.733 30.300 0.045 0.000 0.939 333 R HN 0.165 nan 8.270 nan 0.000 0.411 334 R N 2.242 122.759 120.500 0.027 0.000 2.795 334 R HA 0.241 4.580 4.340 -0.002 0.000 0.275 334 R C -0.777 175.547 176.300 0.040 0.000 0.981 334 R CA -0.923 55.192 56.100 0.025 0.000 0.917 334 R CB 2.231 32.540 30.300 0.016 0.000 1.202 334 R HN 0.568 nan 8.270 nan 0.000 0.469 335 S N 1.173 116.893 115.700 0.033 0.000 2.481 335 S HA 0.122 4.590 4.470 -0.002 0.000 0.276 335 S C -0.071 174.535 174.600 0.011 0.000 1.247 335 S CA -0.076 58.143 58.200 0.032 0.000 1.053 335 S CB 0.608 63.820 63.200 0.020 0.000 0.925 335 S HN 0.330 nan 8.310 nan 0.000 0.491 336 T N 3.803 118.366 114.554 0.016 0.000 2.888 336 T HA 0.078 4.426 4.350 -0.002 0.000 0.301 336 T C 1.500 176.112 174.700 -0.148 0.000 1.001 336 T CA -0.250 61.829 62.100 -0.035 0.000 1.147 336 T CB 0.569 69.459 68.868 0.038 0.000 0.931 336 T HN 0.592 nan 8.240 nan 0.000 0.541 337 R N 1.798 122.223 120.500 -0.125 0.000 2.090 337 R HA 0.182 4.521 4.340 -0.002 0.000 0.228 337 R C 0.493 176.656 176.300 -0.229 0.000 1.110 337 R CA 0.986 57.005 56.100 -0.136 0.000 0.973 337 R CB 0.108 30.363 30.300 -0.075 0.000 0.869 337 R HN 0.755 nan 8.270 nan 0.000 0.440 338 A N -0.825 121.824 122.820 -0.286 0.000 2.604 338 A HA 0.531 4.849 4.320 -0.002 0.000 0.295 338 A C -1.883 175.519 177.584 -0.303 0.000 1.067 338 A CA -0.822 51.020 52.037 -0.325 0.000 0.683 338 A CB 0.801 19.719 19.000 -0.136 0.000 1.281 338 A HN 0.158 nan 8.150 nan 0.000 0.407 339 Y N 1.019 121.317 120.300 -0.005 0.000 2.453 339 Y HA 0.381 4.929 4.550 -0.002 0.000 0.326 339 Y C 1.467 177.364 175.900 -0.005 0.000 1.186 339 Y CA -0.879 57.219 58.100 -0.004 0.000 1.200 339 Y CB 1.165 39.622 38.460 -0.005 0.000 1.247 339 Y HN 0.802 nan 8.280 nan 0.000 0.482 340 N N -0.294 118.517 118.700 0.186 0.000 2.398 340 N HA 0.108 4.847 4.740 -0.002 0.000 0.188 340 N C 1.264 176.818 175.510 0.074 0.000 1.122 340 N CA 0.669 53.775 53.050 0.094 0.000 0.866 340 N CB 0.190 38.717 38.487 0.066 0.000 0.970 340 N HN 0.924 nan 8.380 nan 0.000 0.462 341 G N -0.503 108.351 108.800 0.091 0.000 2.179 341 G HA2 -0.313 3.646 3.960 -0.002 0.000 0.260 341 G HA3 -0.313 3.646 3.960 -0.002 0.000 0.260 341 G C -0.251 174.660 174.900 0.019 0.000 0.977 341 G CA 0.278 45.408 45.100 0.049 0.000 0.641 341 G HN 0.513 nan 8.290 nan 0.000 0.533 342 E N 0.737 120.947 120.200 0.016 0.000 2.392 342 E HA 0.391 4.739 4.350 -0.002 0.000 0.256 342 E C 0.412 177.001 176.600 -0.018 0.000 1.145 342 E CA -0.157 56.245 56.400 0.003 0.000 0.929 342 E CB 0.589 30.294 29.700 0.008 0.000 0.998 342 E HN 0.558 nan 8.360 nan 0.000 0.442 343 E N 0.771 120.964 120.200 -0.011 0.000 2.349 343 E HA 0.175 4.523 4.350 -0.002 0.000 0.265 343 E C -0.665 175.922 176.600 -0.020 0.000 1.064 343 E CA -0.630 55.761 56.400 -0.015 0.000 0.886 343 E CB 0.787 30.487 29.700 0.001 0.000 1.036 343 E HN 0.101 nan 8.360 nan 0.000 0.413 344 L N 1.371 122.581 121.223 -0.023 0.000 2.421 344 L HA 0.177 4.516 4.340 -0.002 0.000 0.263 344 L C 0.719 177.600 176.870 0.018 0.000 1.122 344 L CA 0.032 54.863 54.840 -0.014 0.000 0.804 344 L CB 1.167 43.212 42.059 -0.023 0.000 1.150 344 L HN 0.632 nan 8.230 nan 0.000 0.457 345 T N -1.697 112.871 114.554 0.024 0.000 2.882 345 T HA 0.155 4.503 4.350 -0.002 0.000 0.287 345 T C 1.003 175.771 174.700 0.113 0.000 1.014 345 T CA -0.269 61.865 62.100 0.057 0.000 1.049 345 T CB 0.349 69.237 68.868 0.035 0.000 1.001 345 T HN 0.350 nan 8.240 nan 0.000 0.525 346 F N 1.160 121.087 119.950 -0.038 0.000 2.171 346 F HA 0.004 4.530 4.527 -0.002 0.000 0.300 346 F C 1.723 177.497 175.800 -0.042 0.000 1.090 346 F CA 1.254 59.225 58.000 -0.049 0.000 1.293 346 F CB -0.821 38.151 39.000 -0.046 0.000 1.013 346 F HN 0.609 nan 8.300 nan 0.000 0.486 347 D N 0.405 120.750 120.400 -0.092 0.000 2.149 347 D HA -0.185 4.454 4.640 -0.002 0.000 0.198 347 D C 2.180 178.394 176.300 -0.143 0.000 0.990 347 D CA 1.510 55.403 54.000 -0.178 0.000 0.839 347 D CB -0.285 40.462 40.800 -0.087 0.000 0.948 347 D HN 0.472 nan 8.370 nan 0.000 0.460 348 E N -0.199 119.955 120.200 -0.076 0.000 2.051 348 E HA -0.154 4.195 4.350 -0.002 0.000 0.192 348 E C 2.052 178.610 176.600 -0.070 0.000 0.991 348 E CA 0.358 56.721 56.400 -0.062 0.000 0.799 348 E CB -0.093 29.585 29.700 -0.037 0.000 0.748 348 E HN 0.101 nan 8.360 nan 0.000 0.449 349 L N 1.746 122.930 121.223 -0.065 0.000 2.012 349 L HA -0.208 4.130 4.340 -0.002 0.000 0.210 349 L C 1.868 178.653 176.870 -0.142 0.000 1.073 349 L CA 1.894 56.694 54.840 -0.067 0.000 0.748 349 L CB -0.208 41.861 42.059 0.017 0.000 0.891 349 L HN -0.079 nan 8.230 nan 0.000 0.431 350 K N -0.620 119.612 120.400 -0.280 0.000 2.063 350 K HA -0.155 4.164 4.320 -0.002 0.000 0.208 350 K C 2.075 178.607 176.600 -0.114 0.000 1.048 350 K CA 1.395 57.507 56.287 -0.292 0.000 0.928 350 K CB -0.421 31.795 32.500 -0.473 0.000 0.713 350 K HN 0.511 nan 8.250 nan 0.000 0.442 351 A N 1.473 124.244 122.820 -0.081 0.000 1.902 351 A HA -0.137 4.182 4.320 -0.002 0.000 0.217 351 A C 2.126 179.764 177.584 0.089 0.000 1.181 351 A CA 1.230 53.274 52.037 0.012 0.000 0.623 351 A CB -0.642 18.342 19.000 -0.028 0.000 0.818 351 A HN 0.152 nan 8.150 nan 0.000 0.443 352 L N -0.667 120.584 121.223 0.046 0.000 2.012 352 L HA -0.208 4.130 4.340 -0.002 0.000 0.210 352 L C 2.579 179.537 176.870 0.147 0.000 1.073 352 L CA 1.279 56.181 54.840 0.103 0.000 0.748 352 L CB -0.680 41.408 42.059 0.048 0.000 0.891 352 L HN 0.370 nan 8.230 nan 0.000 0.431 353 L N -0.460 120.798 121.223 0.059 0.000 2.093 353 L HA -0.223 4.116 4.340 -0.002 0.000 0.208 353 L C 2.215 179.225 176.870 0.234 0.000 1.085 353 L CA 1.306 56.194 54.840 0.079 0.000 0.755 353 L CB -0.550 41.337 42.059 -0.287 0.000 0.904 353 L HN 0.299 nan 8.230 nan 0.000 0.435 354 D N 0.011 120.536 120.400 0.207 0.000 2.097 354 D HA -0.269 4.370 4.640 -0.002 0.000 0.195 354 D C 2.000 178.544 176.300 0.407 0.000 0.989 354 D CA 1.177 55.358 54.000 0.301 0.000 0.827 354 D CB -0.036 40.931 40.800 0.278 0.000 0.966 354 D HN 0.201 nan 8.370 nan 0.000 0.456 355 F N 0.414 120.492 119.950 0.213 0.000 2.186 355 F HA -0.068 4.458 4.527 -0.003 0.000 0.299 355 F C 2.193 177.970 175.800 -0.038 0.000 1.090 355 F CA 1.394 59.381 58.000 -0.021 0.000 1.307 355 F CB -0.536 38.465 39.000 0.002 0.000 1.019 355 F HN -0.076 nan 8.300 nan 0.000 0.489 356 T N -1.110 113.408 114.554 -0.060 0.000 2.809 356 T HA -0.136 4.212 4.350 -0.002 0.000 0.260 356 T C 1.287 175.745 174.700 -0.402 0.000 1.039 356 T CA 1.706 63.626 62.100 -0.301 0.000 1.141 356 T CB -0.430 68.301 68.868 -0.228 0.000 0.869 356 T HN 0.322 nan 8.240 nan 0.000 0.437 357 Y N 0.536 120.833 120.300 -0.005 0.000 2.458 357 Y HA 0.307 4.856 4.550 -0.002 0.000 0.254 357 Y C 1.181 177.100 175.900 0.032 0.000 1.120 357 Y CA -0.207 57.906 58.100 0.021 0.000 1.282 357 Y CB 0.615 39.184 38.460 0.182 0.000 1.109 357 Y HN 0.020 nan 8.280 nan 0.000 0.526 358 Q N 0.944 120.866 119.800 0.204 0.000 2.628 358 Q HA 0.225 4.563 4.340 -0.002 0.000 0.397 358 Q C -2.194 173.954 176.000 0.247 0.000 0.916 358 Q CA -1.544 54.381 55.803 0.203 0.000 1.071 358 Q CB 0.607 29.484 28.738 0.232 0.000 1.367 358 Q HN 0.265 nan 8.270 nan 0.000 0.404 359 P HA -0.216 nan 4.420 nan 0.000 0.222 359 P C 1.272 178.718 177.300 0.244 0.000 1.147 359 P CA 1.190 64.382 63.100 0.153 0.000 0.790 359 P CB 0.302 31.997 31.700 -0.009 0.000 0.780 360 Q N 0.057 119.952 119.800 0.158 0.000 2.364 360 Q HA -0.136 4.203 4.340 -0.002 0.000 0.209 360 Q C 0.953 177.012 176.000 0.099 0.000 0.977 360 Q CA 1.344 57.214 55.803 0.112 0.000 0.885 360 Q CB -1.311 27.468 28.738 0.069 0.000 0.941 360 Q HN 0.220 nan 8.270 nan 0.000 0.464 361 N N -0.176 118.593 118.700 0.114 0.000 2.461 361 N HA -0.004 4.735 4.740 -0.002 0.000 0.188 361 N C -0.147 175.130 175.510 -0.388 0.000 1.134 361 N CA 0.428 53.418 53.050 -0.100 0.000 0.878 361 N CB 0.023 38.433 38.487 -0.129 0.000 0.972 361 N HN 0.381 nan 8.380 nan 0.000 0.456 362 Y N -0.330 120.058 120.300 0.146 0.000 2.588 362 Y HA 0.287 4.836 4.550 -0.002 0.000 0.247 362 Y C 1.836 177.816 175.900 0.134 0.000 1.157 362 Y CA -0.576 57.639 58.100 0.191 0.000 1.215 362 Y CB -0.184 38.438 38.460 0.269 0.000 1.245 362 Y HN -0.012 nan 8.280 nan 0.000 0.534 363 I N -1.111 119.553 120.570 0.157 0.000 2.286 363 I HA -0.224 3.945 4.170 -0.002 0.000 0.248 363 I C 1.831 178.008 176.117 0.101 0.000 1.115 363 I CA 1.970 63.339 61.300 0.114 0.000 1.392 363 I CB -0.239 37.805 38.000 0.073 0.000 1.065 363 I HN 0.083 nan 8.210 nan 0.000 0.418 364 D N 0.883 121.337 120.400 0.089 0.000 2.371 364 D HA -0.199 4.440 4.640 -0.002 0.000 0.221 364 D C 1.589 177.965 176.300 0.125 0.000 0.986 364 D CA 0.848 54.900 54.000 0.085 0.000 0.899 364 D CB -0.454 40.382 40.800 0.059 0.000 0.902 364 D HN 0.627 nan 8.370 nan 0.000 0.530 365 Q N -0.499 119.406 119.800 0.175 0.000 2.198 365 Q HA 0.196 4.535 4.340 -0.002 0.000 0.209 365 Q C -0.105 175.987 176.000 0.153 0.000 0.848 365 Q CA -0.048 55.879 55.803 0.207 0.000 0.974 365 Q CB 0.636 29.575 28.738 0.334 0.000 1.115 365 Q HN 0.144 nan 8.270 nan 0.000 0.494 366 S N 0.066 115.837 115.700 0.119 0.000 3.482 366 S HA -0.129 4.340 4.470 -0.002 0.000 0.294 366 S C -0.018 174.622 174.600 0.067 0.000 1.244 366 S CA 0.105 58.351 58.200 0.077 0.000 0.911 366 S CB -1.236 61.997 63.200 0.055 0.000 1.070 366 S HN 0.412 nan 8.310 nan 0.000 0.614 367 L N 1.376 122.661 121.223 0.105 0.000 2.375 367 L HA 0.519 4.858 4.340 -0.002 0.000 0.268 367 L C 0.602 177.512 176.870 0.068 0.000 1.058 367 L CA -0.922 53.964 54.840 0.076 0.000 0.803 367 L CB 0.473 42.602 42.059 0.117 0.000 1.212 367 L HN 0.200 nan 8.230 nan 0.000 0.451 368 D N 1.205 121.619 120.400 0.022 0.000 2.390 368 D HA -0.051 4.587 4.640 -0.002 0.000 0.249 368 D C 0.901 177.222 176.300 0.035 0.000 1.144 368 D CA -0.077 53.931 54.000 0.012 0.000 0.880 368 D CB 0.865 41.647 40.800 -0.030 0.000 1.182 368 D HN 0.547 nan 8.370 nan 0.000 0.451 369 N N 1.739 120.466 118.700 0.044 0.000 2.396 369 N HA -0.138 4.600 4.740 -0.002 0.000 0.180 369 N C 0.078 175.611 175.510 0.038 0.000 1.028 369 N CA 0.176 53.260 53.050 0.057 0.000 0.893 369 N CB 0.215 38.733 38.487 0.052 0.000 0.967 369 N HN 0.123 nan 8.380 nan 0.000 0.440 370 S N 1.297 117.008 115.700 0.018 0.000 2.564 370 S HA 0.313 4.782 4.470 -0.002 0.000 0.141 370 S C -2.881 171.716 174.600 -0.004 0.000 1.474 370 S CA -1.093 57.116 58.200 0.016 0.000 1.236 370 S CB 0.519 63.729 63.200 0.017 0.000 1.481 370 S HN 0.040 nan 8.310 nan 0.000 0.397 371 P HA 0.262 nan 4.420 nan 0.000 0.269 371 P C -0.665 176.583 177.300 -0.087 0.000 1.215 371 P CA -0.125 62.928 63.100 -0.078 0.000 0.780 371 P CB 0.419 32.061 31.700 -0.097 0.000 0.898 372 D N 1.225 121.518 120.400 -0.179 0.000 2.389 372 D HA 0.189 4.828 4.640 -0.002 0.000 0.247 372 D C -0.122 175.955 176.300 -0.371 0.000 1.128 372 D CA 0.819 54.703 54.000 -0.193 0.000 0.884 372 D CB 0.025 40.683 40.800 -0.237 0.000 1.194 372 D HN 0.279 nan 8.370 nan 0.000 0.441 373 Y N 0.284 120.427 120.300 -0.262 0.000 2.662 373 Y HA 0.252 4.800 4.550 -0.002 0.000 0.335 373 Y C 0.873 176.526 175.900 -0.412 0.000 1.066 373 Y CA -1.040 56.856 58.100 -0.340 0.000 1.116 373 Y CB 0.657 38.961 38.460 -0.261 0.000 1.308 373 Y HN 0.186 nan 8.280 nan 0.000 0.502 374 F N 0.108 120.056 119.950 -0.003 0.000 2.074 374 F HA -0.008 4.518 4.527 -0.003 0.000 0.293 374 F C 0.599 176.258 175.800 -0.234 0.000 1.116 374 F CA 1.427 59.269 58.000 -0.263 0.000 1.212 374 F CB 0.278 39.004 39.000 -0.456 0.000 0.998 374 F HN 0.285 nan 8.300 nan 0.000 0.471 375 D N -0.857 119.576 120.400 0.056 0.000 2.362 375 D HA 0.158 4.796 4.640 -0.002 0.000 0.232 375 D C 0.412 176.732 176.300 0.034 0.000 1.329 375 D CA 0.036 54.058 54.000 0.037 0.000 0.944 375 D CB 0.195 41.027 40.800 0.053 0.000 1.471 375 D HN 0.042 nan 8.370 nan 0.000 0.533 376 L N 1.757 122.955 121.223 -0.041 0.000 2.353 376 L HA -0.068 4.271 4.340 -0.002 0.000 0.220 376 L C 1.695 178.547 176.870 -0.030 0.000 1.133 376 L CA 0.501 55.272 54.840 -0.115 0.000 0.798 376 L CB -0.128 41.744 42.059 -0.312 0.000 0.922 376 L HN 0.302 nan 8.230 nan 0.000 0.445 377 N N 0.329 119.036 118.700 0.011 0.000 2.443 377 N HA -0.116 4.622 4.740 -0.002 0.000 0.184 377 N C 1.628 177.177 175.510 0.065 0.000 1.037 377 N CA 1.034 54.104 53.050 0.034 0.000 0.896 377 N CB -0.005 38.511 38.487 0.047 0.000 0.959 377 N HN 0.430 nan 8.380 nan 0.000 0.442 378 L N -0.049 121.227 121.223 0.089 0.000 2.567 378 L HA 0.257 4.595 4.340 -0.002 0.000 0.225 378 L C 0.426 177.367 176.870 0.118 0.000 1.119 378 L CA 0.224 55.133 54.840 0.116 0.000 0.871 378 L CB 0.191 42.338 42.059 0.147 0.000 1.036 378 L HN -0.045 nan 8.230 nan 0.000 0.459 379 I N -0.116 120.516 120.570 0.104 0.000 2.404 379 I HA 0.249 4.417 4.170 -0.002 0.000 0.293 379 I C -0.161 176.075 176.117 0.197 0.000 0.992 379 I CA -0.476 60.908 61.300 0.141 0.000 1.149 379 I CB 1.864 39.908 38.000 0.074 0.000 1.315 379 I HN -0.054 nan 8.210 nan 0.000 0.446 380 E N 3.871 124.250 120.200 0.300 0.000 2.235 380 E HA 0.555 4.904 4.350 -0.002 0.000 0.265 380 E C -0.932 175.880 176.600 0.353 0.000 0.940 380 E CA -0.607 55.997 56.400 0.341 0.000 0.819 380 E CB 2.236 32.268 29.700 0.553 0.000 1.206 380 E HN 0.392 nan 8.360 nan 0.000 0.409 381 T N 1.675 116.297 114.554 0.114 0.000 2.841 381 T HA 0.575 4.924 4.350 -0.002 0.000 0.285 381 T C -0.818 173.780 174.700 -0.169 0.000 0.991 381 T CA -0.477 61.693 62.100 0.117 0.000 0.966 381 T CB 0.166 69.107 68.868 0.122 0.000 0.962 381 T HN 0.158 nan 8.240 nan 0.000 0.438 382 F N 2.284 122.366 119.950 0.220 0.000 2.532 382 F HA 0.666 5.191 4.527 -0.002 0.000 0.321 382 F C -0.004 175.928 175.800 0.220 0.000 1.089 382 F CA -1.280 56.848 58.000 0.213 0.000 0.926 382 F CB 1.500 40.581 39.000 0.135 0.000 1.168 382 F HN 0.325 nan 8.300 nan 0.000 0.459 383 I N 2.567 123.353 120.570 0.360 0.000 2.418 383 I HA 0.536 4.704 4.170 -0.002 0.000 0.287 383 I C -0.503 175.813 176.117 0.332 0.000 1.008 383 I CA -1.019 60.458 61.300 0.294 0.000 1.104 383 I CB 1.758 39.849 38.000 0.152 0.000 1.264 383 I HN 0.670 nan 8.210 nan 0.000 0.438 384 A N 6.819 129.834 122.820 0.325 0.000 2.302 384 A HA 0.618 4.936 4.320 -0.002 0.000 0.295 384 A C -0.339 177.405 177.584 0.268 0.000 1.235 384 A CA -0.330 51.871 52.037 0.273 0.000 0.876 384 A CB 0.479 19.614 19.000 0.226 0.000 1.133 384 A HN 0.487 nan 8.150 nan 0.000 0.533 385 V N 2.908 123.015 119.914 0.322 0.000 2.370 385 V HA 0.190 4.308 4.120 -0.002 0.000 0.283 385 V C 0.328 176.548 176.094 0.210 0.000 1.023 385 V CA -0.409 62.030 62.300 0.232 0.000 0.857 385 V CB 0.885 32.848 31.823 0.234 0.000 0.985 385 V HN 1.097 nan 8.190 nan 0.000 0.443 386 C N 2.740 122.121 119.300 0.135 0.000 3.123 386 C HA 0.482 4.941 4.460 -0.002 0.000 0.399 386 C C 1.375 176.397 174.990 0.054 0.000 1.320 386 C CA 0.283 59.361 59.018 0.099 0.000 1.949 386 C CB 0.362 28.162 27.740 0.100 0.000 2.692 386 C HN 0.966 nan 8.230 nan 0.000 0.623 387 G N 0.857 109.680 108.800 0.038 0.000 4.184 387 G HA2 0.516 4.474 3.960 -0.002 0.000 0.282 387 G HA3 0.516 4.474 3.960 -0.002 0.000 0.282 387 G C -0.977 173.929 174.900 0.010 0.000 1.223 387 G CA 0.191 45.301 45.100 0.017 0.000 0.773 387 G HN 0.095 nan 8.290 nan 0.000 0.519 388 V N 1.425 121.350 119.914 0.018 0.000 2.407 388 V HA 0.317 4.435 4.120 -0.002 0.000 0.291 388 V C 0.162 176.263 176.094 0.012 0.000 1.018 388 V CA -0.840 61.473 62.300 0.020 0.000 0.842 388 V CB 1.605 33.445 31.823 0.027 0.000 0.996 388 V HN 0.614 nan 8.190 nan 0.000 0.426 389 Q N 2.731 122.548 119.800 0.029 0.000 2.263 389 Q HA 0.336 4.675 4.340 -0.002 0.000 0.289 389 Q C 1.322 177.327 176.000 0.008 0.000 1.061 389 Q CA 1.026 56.843 55.803 0.023 0.000 0.927 389 Q CB 0.576 29.336 28.738 0.036 0.000 1.154 389 Q HN 1.200 nan 8.270 nan 0.000 0.378 390 G N 2.033 110.816 108.800 -0.029 0.000 2.176 390 G HA2 -0.255 3.704 3.960 -0.002 0.000 0.253 390 G HA3 -0.255 3.704 3.960 -0.002 0.000 0.253 390 G C -0.545 174.219 174.900 -0.227 0.000 0.979 390 G CA -0.100 44.949 45.100 -0.085 0.000 0.641 390 G HN 0.434 nan 8.290 nan 0.000 0.530 391 L N 1.287 122.388 121.223 -0.203 0.000 2.381 391 L HA 0.609 4.948 4.340 -0.002 0.000 0.274 391 L C 0.247 177.109 176.870 -0.014 0.000 0.988 391 L CA -1.142 53.551 54.840 -0.245 0.000 0.824 391 L CB 1.459 43.274 42.059 -0.407 0.000 1.263 391 L HN 0.254 nan 8.230 nan 0.000 0.410 392 E N 2.667 122.930 120.200 0.106 0.000 2.413 392 E HA 0.314 4.663 4.350 -0.002 0.000 0.263 392 E C -0.225 176.563 176.600 0.314 0.000 1.015 392 E CA -0.032 56.518 56.400 0.249 0.000 0.916 392 E CB 0.672 30.569 29.700 0.327 0.000 0.947 392 E HN 0.735 nan 8.360 nan 0.000 0.440 393 A N 2.561 125.508 122.820 0.212 0.000 2.488 393 A HA 0.528 4.846 4.320 -0.002 0.000 0.249 393 A C 0.567 178.221 177.584 0.116 0.000 1.083 393 A CA 0.747 52.868 52.037 0.139 0.000 0.768 393 A CB 0.365 19.359 19.000 -0.010 0.000 1.017 393 A HN 0.710 nan 8.150 nan 0.000 0.496 394 G N -0.749 108.193 108.800 0.237 0.000 2.360 394 G HA2 0.394 4.353 3.960 -0.002 0.000 0.276 394 G HA3 0.394 4.353 3.960 -0.002 0.000 0.276 394 G C -1.109 174.008 174.900 0.362 0.000 1.256 394 G CA 0.209 45.439 45.100 0.217 0.000 0.890 394 G HN 1.541 nan 8.290 nan 0.000 0.486 395 C N 0.043 119.428 119.300 0.141 0.000 2.455 395 C HA 0.921 5.380 4.460 -0.002 0.000 0.320 395 C C -1.466 173.415 174.990 -0.182 0.000 1.226 395 C CA -0.823 58.236 59.018 0.069 0.000 1.569 395 C CB -0.232 27.489 27.740 -0.033 0.000 2.200 395 C HN 0.545 nan 8.230 nan 0.000 0.491 396 Y N 3.633 124.020 120.300 0.145 0.000 2.425 396 Y HA 0.425 4.974 4.550 -0.002 0.000 0.344 396 Y C -0.329 175.676 175.900 0.175 0.000 0.969 396 Y CA -0.624 57.551 58.100 0.125 0.000 1.052 396 Y CB 0.982 39.505 38.460 0.104 0.000 1.215 396 Y HN 0.715 nan 8.280 nan 0.000 0.451 397 Y N 3.615 123.968 120.300 0.089 0.000 2.359 397 Y HA 0.257 4.806 4.550 -0.002 0.000 0.330 397 Y C -1.120 174.790 175.900 0.016 0.000 1.143 397 Y CA -1.087 56.933 58.100 -0.134 0.000 1.318 397 Y CB 0.276 38.702 38.460 -0.058 0.000 1.234 397 Y HN 0.575 nan 8.280 nan 0.000 0.522 398 Y N 5.848 125.696 120.300 -0.753 0.000 2.335 398 Y HA 0.637 5.186 4.550 -0.002 0.000 0.339 398 Y C -0.843 174.427 175.900 -1.050 0.000 0.987 398 Y CA -1.608 56.096 58.100 -0.659 0.000 1.140 398 Y CB 0.713 38.883 38.460 -0.483 0.000 1.173 398 Y HN 0.765 nan 8.280 nan 0.000 0.486 399 A N 9.826 131.951 122.820 -1.157 0.000 2.582 399 A HA 0.409 4.727 4.320 -0.002 0.000 0.336 399 A C -2.087 174.884 177.584 -1.020 0.000 1.445 399 A CA -1.529 49.978 52.037 -0.883 0.000 0.997 399 A CB 0.064 18.888 19.000 -0.293 0.000 1.148 399 A HN 0.693 nan 8.150 nan 0.000 0.514 400 P HA -0.128 nan 4.420 nan 0.000 0.221 400 P C 1.008 178.105 177.300 -0.339 0.000 1.150 400 P CA 1.111 63.702 63.100 -0.848 0.000 0.800 400 P CB 0.319 31.686 31.700 -0.554 0.000 0.787 401 K N 0.267 120.516 120.400 -0.253 0.000 2.031 401 K HA 0.020 4.338 4.320 -0.002 0.000 0.205 401 K C 2.302 178.839 176.600 -0.104 0.000 1.049 401 K CA 1.444 57.655 56.287 -0.127 0.000 0.939 401 K CB -0.539 31.907 32.500 -0.091 0.000 0.717 401 K HN 0.011 nan 8.250 nan 0.000 0.438 402 A N 0.929 123.674 122.820 -0.125 0.000 2.119 402 A HA -0.098 4.221 4.320 -0.002 0.000 0.216 402 A C 0.165 177.711 177.584 -0.063 0.000 1.152 402 A CA 0.405 52.397 52.037 -0.074 0.000 0.708 402 A CB -0.185 18.784 19.000 -0.052 0.000 0.805 402 A HN 0.376 nan 8.150 nan 0.000 0.460 403 Q N -0.270 119.458 119.800 -0.120 0.000 2.457 403 Q HA -0.172 4.167 4.340 -0.002 0.000 0.333 403 Q C -1.035 174.983 176.000 0.031 0.000 1.448 403 Q CA 1.070 56.855 55.803 -0.030 0.000 0.891 403 Q CB -1.592 27.169 28.738 0.039 0.000 1.142 403 Q HN 0.853 nan 8.270 nan 0.000 0.375 404 E N 0.280 120.468 120.200 -0.020 0.000 2.340 404 E HA 0.591 4.940 4.350 -0.002 0.000 0.273 404 E C -0.739 175.933 176.600 0.120 0.000 0.891 404 E CA -0.899 55.545 56.400 0.073 0.000 0.757 404 E CB 1.711 31.447 29.700 0.058 0.000 1.231 404 E HN 0.148 nan 8.360 nan 0.000 0.439 405 L N 2.306 123.642 121.223 0.188 0.000 2.295 405 L HA 0.526 4.864 4.340 -0.002 0.000 0.285 405 L C -0.154 176.885 176.870 0.281 0.000 1.035 405 L CA -0.518 54.456 54.840 0.224 0.000 0.806 405 L CB 0.943 43.063 42.059 0.102 0.000 1.214 405 L HN 0.288 nan 8.230 nan 0.000 0.426 406 R N 2.814 123.510 120.500 0.327 0.000 2.360 406 R HA 0.261 4.599 4.340 -0.002 0.000 0.318 406 R C -0.753 175.636 176.300 0.149 0.000 0.950 406 R CA -0.654 55.602 56.100 0.260 0.000 0.837 406 R CB 1.904 32.392 30.300 0.313 0.000 1.165 406 R HN 0.535 nan 8.270 nan 0.000 0.458 407 Q N 4.127 123.961 119.800 0.057 0.000 2.286 407 Q HA 0.089 4.427 4.340 -0.002 0.000 0.267 407 Q C 0.780 176.613 176.000 -0.278 0.000 1.028 407 Q CA 0.090 55.696 55.803 -0.329 0.000 0.901 407 Q CB 0.689 29.250 28.738 -0.295 0.000 1.183 407 Q HN 0.812 nan 8.270 nan 0.000 0.392 408 I N 0.266 120.632 120.570 -0.339 0.000 4.035 408 I HA 0.361 4.530 4.170 -0.002 0.000 0.321 408 I C -0.114 175.910 176.117 -0.154 0.000 1.289 408 I CA -0.239 60.876 61.300 -0.308 0.000 1.236 408 I CB 0.525 38.230 38.000 -0.491 0.000 1.076 408 I HN 0.281 nan 8.210 nan 0.000 0.418 409 R N 1.120 121.553 120.500 -0.112 0.000 2.668 409 R HA 0.408 4.746 4.340 -0.002 0.000 0.272 409 R C -2.128 174.206 176.300 0.056 0.000 1.019 409 R CA -0.574 55.545 56.100 0.031 0.000 0.894 409 R CB 2.428 32.842 30.300 0.189 0.000 1.228 409 R HN 0.114 nan 8.270 nan 0.000 0.460 410 F N 2.478 122.365 119.950 -0.105 0.000 2.434 410 F HA 0.590 5.116 4.527 -0.002 0.000 0.355 410 F C -0.631 175.041 175.800 -0.214 0.000 1.115 410 F CA -0.332 57.586 58.000 -0.137 0.000 1.010 410 F CB 0.709 39.646 39.000 -0.104 0.000 1.234 410 F HN 0.431 nan 8.300 nan 0.000 0.439 411 K N 4.188 124.106 120.400 -0.803 0.000 2.675 411 K HA 0.157 4.476 4.320 -0.002 0.000 0.280 411 K C -1.872 174.200 176.600 -0.880 0.000 0.993 411 K CA -0.821 54.886 56.287 -0.967 0.000 0.863 411 K CB 1.310 33.090 32.500 -1.199 0.000 1.438 411 K HN 0.543 nan 8.250 nan 0.000 0.389 412 N N 3.166 121.481 118.700 -0.641 0.000 2.406 412 N HA 0.165 4.903 4.740 -0.002 0.000 0.251 412 N C -0.507 174.808 175.510 -0.325 0.000 1.069 412 N CA 0.017 52.853 53.050 -0.356 0.000 0.947 412 N CB 0.168 38.524 38.487 -0.218 0.000 1.111 412 N HN 0.450 nan 8.380 nan 0.000 0.497 413 F N 2.539 122.479 119.950 -0.016 0.000 2.660 413 F HA 0.332 4.858 4.527 -0.002 0.000 0.302 413 F C 1.945 177.786 175.800 0.067 0.000 1.103 413 F CA -0.328 57.685 58.000 0.022 0.000 1.340 413 F CB 0.216 39.238 39.000 0.038 0.000 1.048 413 F HN 0.422 nan 8.300 nan 0.000 0.551 414 R N 0.192 120.807 120.500 0.191 0.000 2.096 414 R HA -0.202 4.137 4.340 -0.002 0.000 0.240 414 R C 2.329 178.753 176.300 0.207 0.000 1.139 414 R CA 1.683 57.883 56.100 0.168 0.000 0.952 414 R CB -0.337 30.021 30.300 0.096 0.000 0.854 414 R HN 0.239 nan 8.270 nan 0.000 0.436 415 R N 1.263 121.873 120.500 0.183 0.000 2.081 415 R HA -0.168 4.171 4.340 -0.002 0.000 0.235 415 R C 1.792 178.250 176.300 0.264 0.000 1.131 415 R CA 1.810 58.039 56.100 0.215 0.000 0.960 415 R CB 0.008 30.384 30.300 0.127 0.000 0.856 415 R HN 0.307 nan 8.270 nan 0.000 0.436 416 E N 0.180 120.535 120.200 0.258 0.000 2.152 416 E HA -0.138 4.210 4.350 -0.002 0.000 0.192 416 E C 2.034 178.843 176.600 0.347 0.000 0.983 416 E CA 0.970 57.548 56.400 0.297 0.000 0.818 416 E CB 0.020 29.888 29.700 0.280 0.000 0.758 416 E HN 0.338 nan 8.360 nan 0.000 0.467 417 L N 0.165 121.575 121.223 0.312 0.000 2.093 417 L HA -0.178 4.161 4.340 -0.002 0.000 0.208 417 L C 2.565 179.626 176.870 0.319 0.000 1.085 417 L CA 1.176 56.191 54.840 0.291 0.000 0.755 417 L CB -0.491 41.722 42.059 0.257 0.000 0.904 417 L HN 0.304 nan 8.230 nan 0.000 0.435 418 H N -0.489 118.704 119.070 0.205 0.000 2.290 418 H HA -0.291 4.264 4.556 -0.002 0.000 0.298 418 H C 2.274 177.736 175.328 0.223 0.000 1.087 418 H CA 2.086 58.242 56.048 0.180 0.000 1.291 418 H CB 0.026 29.887 29.762 0.166 0.000 1.369 418 H HN 0.292 nan 8.280 nan 0.000 0.492 419 F N 1.270 121.301 119.950 0.135 0.000 2.075 419 F HA -0.175 4.351 4.527 -0.002 0.000 0.297 419 F C 2.246 178.214 175.800 0.281 0.000 1.113 419 F CA 1.281 59.361 58.000 0.134 0.000 1.218 419 F CB -0.582 38.494 39.000 0.127 0.000 0.984 419 F HN 0.078 nan 8.300 nan 0.000 0.472 420 L N -0.329 121.055 121.223 0.269 0.000 2.079 420 L HA -0.273 4.065 4.340 -0.002 0.000 0.210 420 L C 1.830 178.712 176.870 0.020 0.000 1.081 420 L CA 0.936 55.888 54.840 0.186 0.000 0.752 420 L CB -0.952 41.278 42.059 0.286 0.000 0.896 420 L HN 0.215 nan 8.230 nan 0.000 0.433 421 C N 0.907 120.233 119.300 0.043 0.000 2.305 421 C HA 0.230 4.689 4.460 -0.002 0.000 0.361 421 C C 1.390 176.285 174.990 -0.160 0.000 1.312 421 C CA -0.743 58.271 59.018 -0.006 0.000 1.705 421 C CB -1.906 25.874 27.740 0.066 0.000 1.882 421 C HN 0.467 nan 8.230 nan 0.000 0.587 422 L N 0.026 120.997 121.223 -0.421 0.000 3.717 422 L HA -0.269 4.070 4.340 -0.002 0.000 0.414 422 L C 1.330 178.068 176.870 -0.220 0.000 1.228 422 L CA 0.685 55.201 54.840 -0.541 0.000 0.918 422 L CB -2.286 39.388 42.059 -0.643 0.000 1.865 422 L HN 0.678 nan 8.230 nan 0.000 0.922 423 G N -1.060 107.678 108.800 -0.102 0.000 2.143 423 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.249 423 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.249 423 G C 0.219 175.211 174.900 0.154 0.000 0.981 423 G CA 0.514 45.584 45.100 -0.051 0.000 0.665 423 G HN 0.576 nan 8.290 nan 0.000 0.528 424 Q N -0.130 119.768 119.800 0.164 0.000 2.286 424 Q HA 0.381 4.720 4.340 -0.002 0.000 0.257 424 Q C 1.153 177.275 176.000 0.204 0.000 0.941 424 Q CA -0.176 55.718 55.803 0.150 0.000 0.912 424 Q CB 0.872 29.640 28.738 0.050 0.000 1.192 424 Q HN 0.573 nan 8.270 nan 0.000 0.410 425 E N 1.937 122.177 120.200 0.066 0.000 2.265 425 E HA -0.203 4.146 4.350 -0.002 0.000 0.196 425 E C 1.444 178.020 176.600 -0.040 0.000 0.996 425 E CA 0.750 57.086 56.400 -0.106 0.000 0.832 425 E CB 0.003 29.645 29.700 -0.097 0.000 0.756 425 E HN 0.594 nan 8.360 nan 0.000 0.491 426 L N 0.227 121.436 121.223 -0.024 0.000 2.043 426 L HA -0.188 4.151 4.340 -0.002 0.000 0.212 426 L C 2.544 179.517 176.870 0.172 0.000 1.075 426 L CA 1.392 56.238 54.840 0.010 0.000 0.752 426 L CB -0.622 41.400 42.059 -0.061 0.000 0.891 426 L HN 0.245 nan 8.230 nan 0.000 0.432 427 G N -0.829 108.047 108.800 0.125 0.000 2.403 427 G HA2 -0.235 3.724 3.960 -0.002 0.000 0.216 427 G HA3 -0.235 3.724 3.960 -0.002 0.000 0.216 427 G C 1.749 176.736 174.900 0.144 0.000 1.154 427 G CA 0.431 45.620 45.100 0.148 0.000 0.784 427 G HN 0.242 nan 8.290 nan 0.000 0.538 428 R N 0.247 120.788 120.500 0.068 0.000 2.075 428 R HA -0.052 4.286 4.340 -0.002 0.000 0.232 428 R C 1.286 177.610 176.300 0.040 0.000 1.126 428 R CA 1.632 57.734 56.100 0.003 0.000 0.963 428 R CB -0.050 30.063 30.300 -0.312 0.000 0.858 428 R HN 0.172 nan 8.270 nan 0.000 0.435 429 D N 0.134 120.582 120.400 0.080 0.000 2.360 429 D HA 0.118 4.756 4.640 -0.002 0.000 0.210 429 D C 0.052 176.436 176.300 0.139 0.000 1.047 429 D CA 0.290 54.365 54.000 0.125 0.000 0.854 429 D CB 0.376 41.271 40.800 0.159 0.000 0.936 429 D HN 0.262 nan 8.370 nan 0.000 0.514 430 A N 0.755 123.661 122.820 0.144 0.000 2.520 430 A HA 0.349 4.668 4.320 -0.002 0.000 0.235 430 A C 1.539 179.064 177.584 -0.098 0.000 1.065 430 A CA 0.537 52.510 52.037 -0.106 0.000 0.764 430 A CB 0.532 19.527 19.000 -0.008 0.000 1.002 430 A HN 0.164 nan 8.150 nan 0.000 0.502 431 A N 1.684 124.392 122.820 -0.186 0.000 1.930 431 A HA 0.482 4.800 4.320 -0.002 0.000 0.215 431 A C 1.192 178.755 177.584 -0.035 0.000 1.176 431 A CA 1.717 53.699 52.037 -0.092 0.000 0.632 431 A CB -0.319 18.613 19.000 -0.114 0.000 0.819 431 A HN 2.297 nan 8.150 nan 0.000 0.445 432 A N -1.683 121.101 122.820 -0.059 0.000 2.594 432 A HA 0.600 4.919 4.320 -0.002 0.000 0.295 432 A C -1.414 176.152 177.584 -0.030 0.000 1.071 432 A CA -0.355 51.679 52.037 -0.004 0.000 0.685 432 A CB 1.354 20.348 19.000 -0.009 0.000 1.285 432 A HN 0.515 nan 8.150 nan 0.000 0.405 433 V N 2.440 122.360 119.914 0.010 0.000 2.482 433 V HA 0.394 4.513 4.120 -0.002 0.000 0.295 433 V C -0.607 175.403 176.094 -0.139 0.000 1.026 433 V CA -0.139 62.101 62.300 -0.100 0.000 0.856 433 V CB 1.420 33.203 31.823 -0.067 0.000 1.001 433 V HN 0.726 nan 8.190 nan 0.000 0.424 434 I N 5.123 125.520 120.570 -0.288 0.000 2.315 434 I HA 0.433 4.601 4.170 -0.002 0.000 0.291 434 I C -0.873 174.922 176.117 -0.537 0.000 1.006 434 I CA -0.112 61.029 61.300 -0.265 0.000 1.265 434 I CB 0.984 38.846 38.000 -0.230 0.000 1.387 434 I HN 0.412 nan 8.210 nan 0.000 0.475 435 F N 4.465 124.311 119.950 -0.174 0.000 2.411 435 F HA 0.373 4.898 4.527 -0.002 0.000 0.352 435 F C 0.331 176.091 175.800 -0.068 0.000 1.123 435 F CA -0.493 57.424 58.000 -0.139 0.000 1.044 435 F CB 0.640 39.619 39.000 -0.034 0.000 1.135 435 F HN 0.406 nan 8.300 nan 0.000 0.461 436 H N 0.660 119.870 119.070 0.233 0.000 2.489 436 H HA 0.550 5.105 4.556 -0.002 0.000 0.322 436 H C 0.206 175.685 175.328 0.252 0.000 1.091 436 H CA -0.470 55.731 56.048 0.254 0.000 1.291 436 H CB 1.326 31.217 29.762 0.215 0.000 1.436 436 H HN 0.668 nan 8.280 nan 0.000 0.480 437 T N 0.036 114.838 114.554 0.413 0.000 2.887 437 T HA 0.662 5.010 4.350 -0.002 0.000 0.292 437 T C -0.491 174.368 174.700 0.265 0.000 1.087 437 T CA -1.003 61.288 62.100 0.319 0.000 1.009 437 T CB 2.067 71.150 68.868 0.359 0.000 1.203 437 T HN 0.474 nan 8.240 nan 0.000 0.518 438 S N 0.193 116.011 115.700 0.197 0.000 2.543 438 S HA 0.380 4.849 4.470 -0.002 0.000 0.271 438 S C -1.942 172.746 174.600 0.147 0.000 1.148 438 S CA -0.647 57.652 58.200 0.164 0.000 0.914 438 S CB 1.665 64.924 63.200 0.098 0.000 1.096 438 S HN 0.934 nan 8.310 nan 0.000 0.471 439 D N 4.489 124.983 120.400 0.157 0.000 2.383 439 D HA 0.157 4.795 4.640 -0.002 0.000 0.245 439 D C 1.408 177.779 176.300 0.119 0.000 1.263 439 D CA -0.109 53.973 54.000 0.135 0.000 0.936 439 D CB 0.124 41.003 40.800 0.132 0.000 1.053 439 D HN 0.591 nan 8.370 nan 0.000 0.507 440 L N 3.492 124.778 121.223 0.105 0.000 2.046 440 L HA -0.156 4.182 4.340 -0.002 0.000 0.208 440 L C 2.500 179.452 176.870 0.136 0.000 1.077 440 L CA 0.947 55.859 54.840 0.120 0.000 0.747 440 L CB -0.319 41.803 42.059 0.104 0.000 0.896 440 L HN 0.415 nan 8.230 nan 0.000 0.432 441 K N 0.036 120.507 120.400 0.119 0.000 2.032 441 K HA -0.176 4.142 4.320 -0.002 0.000 0.209 441 K C 2.246 178.910 176.600 0.106 0.000 1.048 441 K CA 1.833 58.187 56.287 0.112 0.000 0.927 441 K CB 0.025 32.582 32.500 0.095 0.000 0.712 441 K HN 0.140 nan 8.250 nan 0.000 0.441 442 S N 0.419 116.178 115.700 0.099 0.000 2.368 442 S HA -0.119 4.349 4.470 -0.002 0.000 0.225 442 S C 1.985 176.653 174.600 0.113 0.000 1.030 442 S CA 1.129 59.382 58.200 0.088 0.000 0.999 442 S CB -0.225 63.021 63.200 0.076 0.000 0.844 442 S HN 0.528 nan 8.310 nan 0.000 0.459 443 A N 1.409 124.317 122.820 0.146 0.000 1.902 443 A HA -0.041 4.277 4.320 -0.002 0.000 0.217 443 A C 2.052 179.770 177.584 0.224 0.000 1.181 443 A CA 1.223 53.383 52.037 0.204 0.000 0.623 443 A CB -0.700 18.420 19.000 0.200 0.000 0.818 443 A HN 0.489 nan 8.150 nan 0.000 0.443 444 I N -0.190 120.491 120.570 0.185 0.000 2.286 444 I HA -0.252 3.916 4.170 -0.002 0.000 0.248 444 I C 2.875 179.068 176.117 0.126 0.000 1.115 444 I CA 0.905 62.309 61.300 0.174 0.000 1.392 444 I CB -0.255 37.846 38.000 0.168 0.000 1.065 444 I HN 0.348 nan 8.210 nan 0.000 0.418 445 A N 0.118 122.997 122.820 0.098 0.000 2.019 445 A HA -0.242 4.077 4.320 -0.002 0.000 0.219 445 A C 2.230 179.820 177.584 0.009 0.000 1.164 445 A CA 1.617 53.686 52.037 0.053 0.000 0.644 445 A CB -0.400 18.627 19.000 0.044 0.000 0.805 445 A HN 0.509 nan 8.150 nan 0.000 0.449 446 Q N -2.812 116.992 119.800 0.006 0.000 2.226 446 Q HA 0.046 4.385 4.340 -0.002 0.000 0.199 446 Q C 0.572 176.381 176.000 -0.319 0.000 0.945 446 Q CA 1.090 56.792 55.803 -0.168 0.000 0.861 446 Q CB 0.114 28.752 28.738 -0.168 0.000 0.953 446 Q HN 0.806 nan 8.270 nan 0.000 0.490 447 Y N -0.672 119.688 120.300 0.101 0.000 2.626 447 Y HA 0.338 4.886 4.550 -0.002 0.000 0.248 447 Y C 0.770 176.707 175.900 0.061 0.000 1.147 447 Y CA 0.110 58.282 58.100 0.119 0.000 1.219 447 Y CB 1.235 39.836 38.460 0.236 0.000 1.279 447 Y HN 0.159 nan 8.280 nan 0.000 0.541 448 G N 0.597 109.494 108.800 0.162 0.000 2.750 448 G HA2 -0.292 3.666 3.960 -0.002 0.000 0.228 448 G HA3 -0.292 3.666 3.960 -0.002 0.000 0.228 448 G C 0.446 175.414 174.900 0.113 0.000 1.367 448 G CA 0.080 45.246 45.100 0.109 0.000 0.871 448 G HN 0.250 nan 8.290 nan 0.000 0.560 449 D N -0.094 120.359 120.400 0.088 0.000 2.218 449 D HA -0.096 4.543 4.640 -0.002 0.000 0.204 449 D C 2.289 178.602 176.300 0.020 0.000 0.976 449 D CA 1.089 55.165 54.000 0.127 0.000 0.853 449 D CB -0.053 40.846 40.800 0.164 0.000 0.939 449 D HN 0.493 nan 8.370 nan 0.000 0.481 450 R N 1.114 121.523 120.500 -0.151 0.000 2.249 450 R HA -0.100 4.239 4.340 -0.002 0.000 0.230 450 R C 2.103 178.082 176.300 -0.535 0.000 1.121 450 R CA 0.347 56.211 56.100 -0.393 0.000 0.997 450 R CB -0.224 29.794 30.300 -0.469 0.000 0.867 450 R HN -0.016 nan 8.270 nan 0.000 0.465 451 V N 0.523 120.304 119.914 -0.221 0.000 2.568 451 V HA -0.266 3.853 4.120 -0.002 0.000 0.253 451 V C 1.600 177.707 176.094 0.021 0.000 1.072 451 V CA 1.763 64.008 62.300 -0.091 0.000 1.084 451 V CB -0.558 31.398 31.823 0.221 0.000 0.676 451 V HN 0.452 nan 8.190 nan 0.000 0.469 452 Y N 1.218 121.536 120.300 0.030 0.000 2.165 452 Y HA -0.269 4.279 4.550 -0.002 0.000 0.286 452 Y C 2.617 178.625 175.900 0.179 0.000 1.155 452 Y CA 2.326 60.561 58.100 0.225 0.000 1.164 452 Y CB -0.128 38.589 38.460 0.428 0.000 0.978 452 Y HN 0.230 nan 8.280 nan 0.000 0.513 453 R N -1.410 119.131 120.500 0.068 0.000 2.083 453 R HA -0.223 4.115 4.340 -0.002 0.000 0.237 453 R C 1.991 178.239 176.300 -0.087 0.000 1.137 453 R CA 1.855 57.904 56.100 -0.086 0.000 0.951 453 R CB -0.819 29.308 30.300 -0.289 0.000 0.851 453 R HN 0.363 nan 8.270 nan 0.000 0.434 454 Y N 1.168 121.320 120.300 -0.247 0.000 2.181 454 Y HA -0.148 4.401 4.550 -0.003 0.000 0.288 454 Y C 2.279 178.161 175.900 -0.031 0.000 1.146 454 Y CA 0.634 58.526 58.100 -0.347 0.000 1.164 454 Y CB -0.866 37.366 38.460 -0.379 0.000 0.982 454 Y HN -0.005 nan 8.280 nan 0.000 0.515 455 L N -1.149 120.153 121.223 0.132 0.000 2.017 455 L HA -0.192 4.147 4.340 -0.002 0.000 0.208 455 L C 1.078 177.922 176.870 -0.043 0.000 1.073 455 L CA 1.041 55.901 54.840 0.033 0.000 0.745 455 L CB -0.772 41.246 42.059 -0.069 0.000 0.894 455 L HN 0.228 nan 8.230 nan 0.000 0.432 459 A N 1.179 123.972 122.820 -0.044 0.000 1.902 459 A HA 0.110 4.428 4.320 -0.002 0.000 0.217 459 A C 2.177 179.726 177.584 -0.058 0.000 1.181 459 A CA 2.641 54.592 52.037 -0.144 0.000 0.623 459 A CB -1.041 17.948 19.000 -0.019 0.000 0.818 459 A HN 0.264 nan 8.150 nan 0.000 0.443 460 G N -1.584 107.135 108.800 -0.136 0.000 2.422 460 G HA2 -0.256 3.702 3.960 -0.002 0.000 0.218 460 G HA3 -0.256 3.702 3.960 -0.002 0.000 0.218 460 G C 1.479 176.159 174.900 -0.367 0.000 1.146 460 G CA 1.243 46.138 45.100 -0.343 0.000 0.769 460 G HN 0.823 nan 8.290 nan 0.000 0.547 461 H N 0.058 119.004 119.070 -0.207 0.000 2.293 461 H HA 0.047 4.601 4.556 -0.002 0.000 0.300 461 H C 2.616 177.881 175.328 -0.106 0.000 1.082 461 H CA 0.944 56.893 56.048 -0.164 0.000 1.308 461 H CB -0.053 29.609 29.762 -0.166 0.000 1.375 461 H HN 0.267 nan 8.280 nan 0.000 0.495 462 L N 0.061 121.301 121.223 0.028 0.000 2.012 462 L HA -0.170 4.168 4.340 -0.002 0.000 0.210 462 L C 2.986 179.852 176.870 -0.007 0.000 1.073 462 L CA 1.180 55.942 54.840 -0.131 0.000 0.748 462 L CB -0.835 41.003 42.059 -0.368 0.000 0.891 462 L HN 0.490 nan 8.230 nan 0.000 0.431 463 G N -0.797 108.036 108.800 0.054 0.000 2.469 463 G HA2 -0.371 3.588 3.960 -0.002 0.000 0.219 463 G HA3 -0.371 3.588 3.960 -0.002 0.000 0.219 463 G C 1.523 176.511 174.900 0.147 0.000 1.150 463 G CA 1.003 46.208 45.100 0.175 0.000 0.763 463 G HN 0.313 nan 8.290 nan 0.000 0.561 464 Q N 0.330 120.112 119.800 -0.030 0.000 2.119 464 Q HA 0.048 4.386 4.340 -0.002 0.000 0.201 464 Q C 2.648 178.771 176.000 0.205 0.000 0.972 464 Q CA 1.180 57.107 55.803 0.206 0.000 0.847 464 Q CB -0.223 28.609 28.738 0.157 0.000 0.903 464 Q HN 0.513 nan 8.270 nan 0.000 0.433 465 R N -0.516 120.076 120.500 0.152 0.000 2.081 465 R HA -0.076 4.263 4.340 -0.002 0.000 0.235 465 R C 2.329 178.825 176.300 0.328 0.000 1.131 465 R CA 1.423 57.654 56.100 0.219 0.000 0.960 465 R CB -0.403 29.845 30.300 -0.086 0.000 0.856 465 R HN 0.288 nan 8.270 nan 0.000 0.436 466 L N 0.731 122.077 121.223 0.205 0.000 2.046 466 L HA -0.187 4.152 4.340 -0.002 0.000 0.208 466 L C 2.160 179.151 176.870 0.201 0.000 1.077 466 L CA 1.244 56.203 54.840 0.198 0.000 0.747 466 L CB -0.519 41.626 42.059 0.144 0.000 0.896 466 L HN 0.291 nan 8.230 nan 0.000 0.432 467 N N 0.060 118.891 118.700 0.218 0.000 2.084 467 N HA -0.178 4.560 4.740 -0.002 0.000 0.190 467 N C 1.969 177.588 175.510 0.182 0.000 1.030 467 N CA 1.331 54.500 53.050 0.198 0.000 0.849 467 N CB -0.139 38.487 38.487 0.232 0.000 1.012 467 N HN 0.295 nan 8.380 nan 0.000 0.423 468 L N 1.011 122.362 121.223 0.214 0.000 2.046 468 L HA -0.127 4.212 4.340 -0.002 0.000 0.208 468 L C 2.644 179.658 176.870 0.240 0.000 1.077 468 L CA 0.959 55.922 54.840 0.204 0.000 0.747 468 L CB -0.510 41.654 42.059 0.175 0.000 0.896 468 L HN 0.138 nan 8.230 nan 0.000 0.432 469 A N 0.065 123.036 122.820 0.251 0.000 1.908 469 A HA -0.206 4.112 4.320 -0.002 0.000 0.218 469 A C 2.534 180.145 177.584 0.046 0.000 1.181 469 A CA 1.855 53.968 52.037 0.127 0.000 0.627 469 A CB -0.743 18.387 19.000 0.215 0.000 0.818 469 A HN 0.416 nan 8.150 nan 0.000 0.445 470 A N 0.079 122.950 122.820 0.084 0.000 1.858 470 A HA -0.091 4.227 4.320 -0.002 0.000 0.216 470 A C 2.014 179.620 177.584 0.037 0.000 1.190 470 A CA 1.721 53.787 52.037 0.048 0.000 0.617 470 A CB -0.540 18.501 19.000 0.067 0.000 0.827 470 A HN 0.406 nan 8.150 nan 0.000 0.443 471 I N -0.119 120.492 120.570 0.067 0.000 2.226 471 I HA -0.232 3.936 4.170 -0.002 0.000 0.245 471 I C 2.605 178.741 176.117 0.031 0.000 1.100 471 I CA 1.982 63.318 61.300 0.060 0.000 1.374 471 I CB -1.433 36.616 38.000 0.082 0.000 1.057 471 I HN 0.485 nan 8.210 nan 0.000 0.413 472 Q N 1.362 121.172 119.800 0.017 0.000 2.135 472 Q HA -0.131 4.207 4.340 -0.002 0.000 0.204 472 Q C 1.835 177.754 176.000 -0.134 0.000 0.981 472 Q CA 1.594 57.345 55.803 -0.087 0.000 0.856 472 Q CB -0.393 28.151 28.738 -0.323 0.000 0.902 472 Q HN 0.557 nan 8.270 nan 0.000 0.425 473 L N 0.183 121.338 121.223 -0.113 0.000 2.627 473 L HA 0.186 4.524 4.340 -0.002 0.000 0.232 473 L C -0.267 176.577 176.870 -0.044 0.000 1.150 473 L CA 0.225 55.009 54.840 -0.092 0.000 0.917 473 L CB -0.671 41.334 42.059 -0.090 0.000 1.104 473 L HN 0.362 nan 8.230 nan 0.000 0.445 474 N N -0.228 118.458 118.700 -0.022 0.000 2.747 474 N HA -0.178 4.561 4.740 -0.002 0.000 0.249 474 N C -0.449 175.067 175.510 0.009 0.000 1.107 474 N CA 0.194 53.244 53.050 0.000 0.000 0.707 474 N CB -1.228 37.257 38.487 -0.004 0.000 1.054 474 N HN 0.285 nan 8.380 nan 0.000 0.555 475 L N -0.663 120.567 121.223 0.012 0.000 2.335 475 L HA 0.759 5.097 4.340 -0.002 0.000 0.268 475 L C 1.260 178.166 176.870 0.059 0.000 1.016 475 L CA -1.055 53.794 54.840 0.015 0.000 0.805 475 L CB 1.083 43.135 42.059 -0.011 0.000 1.311 475 L HN 0.090 nan 8.230 nan 0.000 0.456 476 G N -0.278 108.573 108.800 0.084 0.000 2.389 476 G HA2 0.560 4.519 3.960 -0.002 0.000 0.328 476 G HA3 0.560 4.519 3.960 -0.002 0.000 0.328 476 G C -1.517 173.530 174.900 0.245 0.000 1.133 476 G CA -0.357 44.892 45.100 0.250 0.000 0.891 476 G HN 0.362 nan 8.290 nan 0.000 0.485 477 V N 0.198 120.294 119.914 0.302 0.000 3.077 477 V HA 0.833 4.951 4.120 -0.002 0.000 0.299 477 V C -1.056 175.158 176.094 0.201 0.000 1.276 477 V CA -0.405 62.035 62.300 0.233 0.000 0.993 477 V CB 2.197 34.102 31.823 0.135 0.000 1.076 477 V HN 1.193 nan 8.190 nan 0.000 0.434 478 S N 3.329 119.133 115.700 0.173 0.000 2.563 478 S HA 0.722 5.191 4.470 -0.002 0.000 0.279 478 S C -0.167 174.460 174.600 0.045 0.000 1.155 478 S CA 0.107 58.361 58.200 0.090 0.000 0.928 478 S CB 1.390 64.611 63.200 0.034 0.000 1.107 478 S HN 1.798 nan 8.310 nan 0.000 0.462 479 G N 2.735 111.570 108.800 0.059 0.000 2.636 479 G HA2 0.523 4.481 3.960 -0.002 0.000 0.246 479 G HA3 0.523 4.481 3.960 -0.002 0.000 0.246 479 G C -0.659 174.268 174.900 0.045 0.000 1.216 479 G CA -0.249 44.862 45.100 0.017 0.000 0.854 479 G HN 0.655 nan 8.290 nan 0.000 0.572 480 I N 1.506 122.092 120.570 0.026 0.000 2.497 480 I HA 0.243 4.412 4.170 -0.002 0.000 0.284 480 I C 1.100 177.406 176.117 0.315 0.000 1.060 480 I CA -0.501 60.866 61.300 0.111 0.000 1.071 480 I CB 1.079 39.096 38.000 0.028 0.000 1.216 480 I HN 0.678 nan 8.210 nan 0.000 0.442 481 G N 4.634 113.617 108.800 0.305 0.000 2.539 481 G HA2 0.131 4.089 3.960 -0.002 0.000 0.215 481 G HA3 0.131 4.089 3.960 -0.002 0.000 0.215 481 G C 0.664 175.706 174.900 0.236 0.000 1.141 481 G CA 0.243 45.545 45.100 0.336 0.000 0.806 481 G HN 0.639 nan 8.290 nan 0.000 0.533 482 G N -0.090 108.773 108.800 0.105 0.000 2.416 482 G HA2 0.606 4.565 3.960 -0.002 0.000 0.324 482 G HA3 0.606 4.565 3.960 -0.002 0.000 0.324 482 G C -0.953 173.840 174.900 -0.178 0.000 1.194 482 G CA -0.698 44.318 45.100 -0.140 0.000 0.922 482 G HN 0.390 nan 8.290 nan 0.000 0.467 483 F N -0.541 119.344 119.950 -0.109 0.000 2.741 483 F HA 0.614 5.139 4.527 -0.002 0.000 0.313 483 F C -1.482 174.229 175.800 -0.149 0.000 1.153 483 F CA -2.376 55.495 58.000 -0.216 0.000 0.931 483 F CB 0.987 39.993 39.000 0.010 0.000 1.335 483 F HN 0.260 nan 8.300 nan 0.000 0.460 484 F N 2.377 122.442 119.950 0.192 0.000 2.566 484 F HA 0.281 4.807 4.527 -0.002 0.000 0.349 484 F C 0.970 176.937 175.800 0.277 0.000 1.245 484 F CA -0.643 57.428 58.000 0.117 0.000 1.169 484 F CB -0.598 38.357 39.000 -0.075 0.000 1.470 484 F HN 0.522 nan 8.300 nan 0.000 0.634 485 D N 0.839 121.509 120.400 0.451 0.000 2.160 485 D HA -0.246 4.393 4.640 -0.002 0.000 0.189 485 D C 1.644 178.140 176.300 0.327 0.000 1.003 485 D CA 1.989 56.276 54.000 0.478 0.000 0.846 485 D CB 0.046 41.007 40.800 0.270 0.000 0.949 485 D HN 0.391 nan 8.370 nan 0.000 0.446 486 D N -0.365 120.174 120.400 0.231 0.000 2.183 486 D HA -0.080 4.559 4.640 -0.002 0.000 0.203 486 D C 2.022 178.401 176.300 0.131 0.000 0.969 486 D CA 0.658 54.750 54.000 0.154 0.000 0.842 486 D CB -0.174 40.691 40.800 0.108 0.000 0.957 486 D HN 0.179 nan 8.370 nan 0.000 0.484 487 Q N 0.044 119.951 119.800 0.179 0.000 2.297 487 Q HA -0.015 4.323 4.340 -0.002 0.000 0.204 487 Q C 2.259 178.329 176.000 0.115 0.000 0.962 487 Q CA 0.157 56.059 55.803 0.165 0.000 0.879 487 Q CB -0.128 28.770 28.738 0.265 0.000 0.947 487 Q HN 0.132 nan 8.270 nan 0.000 0.462 488 V N 1.013 120.989 119.914 0.104 0.000 2.255 488 V HA -0.324 3.795 4.120 -0.002 0.000 0.247 488 V C 1.419 177.400 176.094 -0.188 0.000 1.051 488 V CA 2.133 64.398 62.300 -0.059 0.000 1.018 488 V CB -0.679 31.086 31.823 -0.097 0.000 0.641 488 V HN 0.414 nan 8.190 nan 0.000 0.445 489 N N 0.611 119.230 118.700 -0.135 0.000 2.069 489 N HA -0.187 4.551 4.740 -0.002 0.000 0.191 489 N C 1.820 177.234 175.510 -0.160 0.000 1.031 489 N CA 1.655 54.591 53.050 -0.191 0.000 0.852 489 N CB -0.373 38.042 38.487 -0.120 0.000 1.018 489 N HN 0.685 nan 8.380 nan 0.000 0.423 490 E N 0.852 121.004 120.200 -0.080 0.000 2.077 490 E HA -0.123 4.225 4.350 -0.002 0.000 0.193 490 E C 1.995 178.562 176.600 -0.055 0.000 0.989 490 E CA 1.049 57.418 56.400 -0.051 0.000 0.800 490 E CB -0.808 28.885 29.700 -0.012 0.000 0.746 490 E HN 0.185 nan 8.360 nan 0.000 0.452 491 V N 1.851 121.726 119.914 -0.065 0.000 2.261 491 V HA -0.217 3.902 4.120 -0.002 0.000 0.246 491 V C 2.568 178.550 176.094 -0.188 0.000 1.047 491 V CA 1.640 63.909 62.300 -0.053 0.000 1.015 491 V CB -0.456 31.335 31.823 -0.054 0.000 0.642 491 V HN 0.199 nan 8.190 nan 0.000 0.446 492 L N -0.191 120.788 121.223 -0.407 0.000 2.509 492 L HA 0.295 4.633 4.340 -0.002 0.000 0.222 492 L C 1.712 178.380 176.870 -0.337 0.000 1.123 492 L CA 0.859 55.346 54.840 -0.588 0.000 0.856 492 L CB -0.328 41.277 42.059 -0.757 0.000 0.985 492 L HN 0.600 nan 8.230 nan 0.000 0.456 493 G N 1.071 109.722 108.800 -0.250 0.000 2.136 493 G HA2 -0.269 3.689 3.960 -0.002 0.000 0.242 493 G HA3 -0.269 3.689 3.960 -0.002 0.000 0.242 493 G C 0.249 174.965 174.900 -0.307 0.000 0.989 493 G CA -0.288 44.693 45.100 -0.200 0.000 0.682 493 G HN 0.276 nan 8.290 nan 0.000 0.522 494 I N 1.757 122.048 120.570 -0.465 0.000 2.533 494 I HA 0.163 4.332 4.170 -0.002 0.000 0.284 494 I C -1.525 174.339 176.117 -0.422 0.000 1.109 494 I CA -1.841 59.019 61.300 -0.732 0.000 1.412 494 I CB 0.673 38.140 38.000 -0.889 0.000 1.396 494 I HN -0.104 nan 8.210 nan 0.000 0.543 495 P HA -0.055 nan 4.420 nan 0.000 0.263 495 P C 0.107 177.352 177.300 -0.091 0.000 1.175 495 P CA 0.245 63.243 63.100 -0.170 0.000 0.761 495 P CB 0.339 31.924 31.700 -0.191 0.000 0.794 496 N N 1.986 120.666 118.700 -0.033 0.000 2.364 496 N HA -0.132 4.606 4.740 -0.002 0.000 0.183 496 N C 0.753 176.288 175.510 0.041 0.000 1.022 496 N CA 1.183 54.233 53.050 -0.001 0.000 0.883 496 N CB -0.378 38.116 38.487 0.012 0.000 0.965 496 N HN 0.457 nan 8.380 nan 0.000 0.438 497 D N 0.823 121.265 120.400 0.070 0.000 2.347 497 D HA -0.031 4.608 4.640 -0.002 0.000 0.215 497 D C -0.035 176.339 176.300 0.124 0.000 0.976 497 D CA 0.636 54.697 54.000 0.103 0.000 0.884 497 D CB 0.083 40.958 40.800 0.125 0.000 0.915 497 D HN 0.210 nan 8.370 nan 0.000 0.526 498 E N 0.810 121.078 120.200 0.113 0.000 2.089 498 E HA 0.429 4.778 4.350 -0.002 0.000 0.284 498 E C -0.292 176.372 176.600 0.107 0.000 1.023 498 E CA -0.340 56.142 56.400 0.137 0.000 0.819 498 E CB 1.367 31.153 29.700 0.144 0.000 1.076 498 E HN -0.016 nan 8.360 nan 0.000 0.396 499 A N 3.499 126.399 122.820 0.133 0.000 2.320 499 A HA 0.292 4.610 4.320 -0.002 0.000 0.287 499 A C 0.274 177.985 177.584 0.212 0.000 1.181 499 A CA -0.609 51.533 52.037 0.174 0.000 0.831 499 A CB 0.511 19.563 19.000 0.087 0.000 1.102 499 A HN 0.405 nan 8.150 nan 0.000 0.513 500 V N 4.659 124.735 119.914 0.270 0.000 2.521 500 V HA -0.007 4.112 4.120 -0.002 0.000 0.286 500 V C 0.917 177.250 176.094 0.398 0.000 1.034 500 V CA 0.101 62.546 62.300 0.243 0.000 1.045 500 V CB 0.474 32.344 31.823 0.079 0.000 0.974 500 V HN 0.813 nan 8.190 nan 0.000 0.480 501 I N 4.312 125.058 120.570 0.293 0.000 3.172 501 I HA 0.221 4.390 4.170 -0.002 0.000 0.278 501 I C 0.163 176.546 176.117 0.444 0.000 1.174 501 I CA 1.052 62.513 61.300 0.268 0.000 1.445 501 I CB -0.151 37.807 38.000 -0.070 0.000 1.175 501 I HN 0.618 nan 8.210 nan 0.000 0.447 502 Y N 0.267 120.655 120.300 0.147 0.000 2.624 502 Y HA 0.596 5.145 4.550 -0.002 0.000 0.334 502 Y C -1.396 174.451 175.900 -0.090 0.000 1.155 502 Y CA -2.073 56.114 58.100 0.144 0.000 1.046 502 Y CB 1.528 40.129 38.460 0.235 0.000 1.316 502 Y HN -0.149 nan 8.280 nan 0.000 0.457 503 I N 3.162 123.445 120.570 -0.478 0.000 2.545 503 I HA 0.508 4.676 4.170 -0.002 0.000 0.292 503 I C -0.942 174.685 176.117 -0.817 0.000 1.040 503 I CA -0.663 60.191 61.300 -0.742 0.000 1.068 503 I CB 2.493 40.104 38.000 -0.648 0.000 1.251 503 I HN 0.553 nan 8.210 nan 0.000 0.424 504 T N 2.798 116.963 114.554 -0.648 0.000 2.847 504 T HA 0.351 4.700 4.350 -0.002 0.000 0.291 504 T C -0.095 174.454 174.700 -0.253 0.000 0.998 504 T CA -0.646 61.215 62.100 -0.399 0.000 0.967 504 T CB 1.343 70.051 68.868 -0.268 0.000 0.954 504 T HN 0.710 nan 8.240 nan 0.000 0.441 505 T N 2.181 116.665 114.554 -0.117 0.000 2.909 505 T HA 0.794 5.143 4.350 -0.002 0.000 0.286 505 T C -0.318 174.390 174.700 0.014 0.000 1.002 505 T CA -0.820 61.272 62.100 -0.013 0.000 1.074 505 T CB 0.482 69.452 68.868 0.171 0.000 0.984 505 T HN 0.398 nan 8.240 nan 0.000 0.495 506 L N 1.686 122.830 121.223 -0.132 0.000 2.431 506 L HA 0.817 5.156 4.340 -0.002 0.000 0.266 506 L C 0.483 176.993 176.870 -0.599 0.000 0.978 506 L CA -0.726 53.971 54.840 -0.240 0.000 0.822 506 L CB 2.266 44.245 42.059 -0.133 0.000 1.310 506 L HN 1.099 nan 8.230 nan 0.000 0.409 507 G N 1.643 109.972 108.800 -0.786 0.000 2.570 507 G HA2 0.500 4.459 3.960 -0.002 0.000 0.310 507 G HA3 0.500 4.459 3.960 -0.002 0.000 0.310 507 G C -1.774 172.902 174.900 -0.374 0.000 1.266 507 G CA -0.851 43.733 45.100 -0.861 0.000 0.825 507 G HN 0.367 nan 8.290 nan 0.000 0.483 508 R N 0.612 121.010 120.500 -0.171 0.000 2.445 508 R HA 0.462 4.800 4.340 -0.002 0.000 0.308 508 R C -2.719 173.689 176.300 0.180 0.000 0.961 508 R CA -1.542 54.568 56.100 0.017 0.000 0.862 508 R CB 2.179 32.484 30.300 0.008 0.000 1.144 508 R HN 0.230 nan 8.270 nan 0.000 0.447 509 P HA 0.033 nan 4.420 nan 0.000 0.269 509 P C -0.275 177.094 177.300 0.115 0.000 1.209 509 P CA -0.198 63.011 63.100 0.181 0.000 0.776 509 P CB 0.658 32.424 31.700 0.110 0.000 0.876 510 R N 0.000 120.551 120.500 0.086 0.000 2.786 510 R HA 0.000 4.339 4.340 -0.002 0.000 0.208 510 R CA 0.000 56.131 56.100 0.051 0.000 0.921 510 R CB 0.000 30.314 30.300 0.022 0.000 0.687 510 R HN 0.000 nan 8.270 nan 0.000 0.535