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 1d7f_1_A DATA FIRST_RESID 1 DATA SEQUENCE APDTSVSNKQ NFSTDVIYQI FTDRFSDGNP ANNPTGAAFD GScTNLRLYc DATA SEQUENCE GGDWQGIINK INDGYLTGMG ITAIWISQPV ENIYSVINYS GVNNTAYHGY DATA SEQUENCE WARDFKKTNP AYGTMQDFKN LIDTAHAHNI KVIIDFAPNH TSPASSDDPS DATA SEQUENCE FAENGRLYDN GNLLGGYTND TQNLFHHYGG TDFSTIENGI YKNLYDLADL DATA SEQUENCE NHNNSSVDVY LKDAIKMWLD LGVDGIRVDA VKNMPFGWQK SFMATINNYK DATA SEQUENCE PVFTFGEWFL GVNEISPEYH QFANESGMSL LDFRFAQKAR QVFRDNTDNM DATA SEQUENCE YGLKAMLEGS EVDYAQVNDQ VTFIDNHDME RFHTSNGDRR KLEQALAFTL DATA SEQUENCE TSRGVPAIYY GSEQYMSGGN DPDNRARLPS FSTTTTAYQV IQKLAPLRKS DATA SEQUENCE NPAIAYGSTH ERWINNDVII YERKFGNNVA VVAINRNMNT PASITGLVTS DATA SEQUENCE LPRGSYNDVL GGILNGNTLT VGAGGAASNF TLAPGGTAVW QYTTDATTPI DATA SEQUENCE IGNVGPMMAK PGVTITIDGR GFGSGKGTVY FGTTAVTGAD IVAWEDTQIQ DATA SEQUENCE VKIPAVPGGI YDIRVANAAG AASNIYDNFE VLTGDQVTVR FVINNATTAL DATA SEQUENCE GQNVFLTGNV SELGNWDPNN AIGPMYNQVV YQYPTWYYDV SVPAGQTIEF DATA SEQUENCE KFLKKQGSTV TWEGGANRTF TTPTSGTATV NVNWQP 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.565 177.584 -0.031 0.000 1.274 1 A CA 0.000 52.019 52.037 -0.030 0.000 0.836 1 A CB 0.000 18.972 19.000 -0.046 0.000 0.831 2 P HA 0.202 nan 4.420 nan 0.000 0.274 2 P C 0.026 177.298 177.300 -0.046 0.000 1.246 2 P CA 0.250 63.328 63.100 -0.036 0.000 0.795 2 P CB 0.549 32.225 31.700 -0.040 0.000 1.006 3 D N 0.012 120.392 120.400 -0.035 0.000 2.182 3 D HA -0.165 4.475 4.640 -0.000 0.000 0.201 3 D C 1.144 177.405 176.300 -0.066 0.000 0.986 3 D CA 2.090 56.075 54.000 -0.026 0.000 0.847 3 D CB -1.455 39.366 40.800 0.034 0.000 0.942 3 D HN 0.455 nan 8.370 nan 0.000 0.467 4 T N -2.053 112.452 114.554 -0.083 0.000 3.113 4 T HA 0.062 4.412 4.350 -0.000 0.000 0.256 4 T C 1.017 175.636 174.700 -0.135 0.000 1.131 4 T CA 0.022 62.049 62.100 -0.122 0.000 1.074 4 T CB -0.459 68.342 68.868 -0.111 0.000 0.944 4 T HN 0.200 nan 8.240 nan 0.000 0.516 5 S N 1.032 116.660 115.700 -0.119 0.000 2.584 5 S HA 0.293 4.763 4.470 -0.000 0.000 0.270 5 S C 1.347 175.844 174.600 -0.172 0.000 1.346 5 S CA -0.490 57.634 58.200 -0.127 0.000 1.018 5 S CB 1.480 64.617 63.200 -0.106 0.000 0.899 5 S HN 0.081 nan 8.310 nan 0.000 0.542 6 V N 1.718 121.527 119.914 -0.175 0.000 2.720 6 V HA -0.144 3.975 4.120 -0.000 0.000 0.256 6 V C 2.163 178.107 176.094 -0.250 0.000 1.082 6 V CA 2.245 64.413 62.300 -0.220 0.000 1.101 6 V CB -1.214 30.497 31.823 -0.187 0.000 0.693 6 V HN 1.045 nan 8.190 nan 0.000 0.479 7 S N -0.632 114.947 115.700 -0.202 0.000 2.555 7 S HA -0.092 4.378 4.470 -0.000 0.000 0.230 7 S C 1.144 175.665 174.600 -0.131 0.000 0.978 7 S CA 0.690 58.784 58.200 -0.177 0.000 0.934 7 S CB -0.983 62.139 63.200 -0.129 0.000 0.766 7 S HN 0.800 nan 8.310 nan 0.000 0.533 8 N N 1.537 120.151 118.700 -0.144 0.000 2.739 8 N HA 0.136 4.875 4.740 -0.000 0.000 0.266 8 N C 0.682 176.144 175.510 -0.081 0.000 1.168 8 N CA -0.278 52.708 53.050 -0.107 0.000 1.055 8 N CB 0.114 38.526 38.487 -0.126 0.000 1.393 8 N HN 0.299 nan 8.380 nan 0.000 0.514 9 K N 1.234 121.647 120.400 0.022 0.000 2.365 9 K HA -0.105 4.215 4.320 -0.000 0.000 0.199 9 K C 1.278 178.069 176.600 0.319 0.000 1.045 9 K CA 0.905 57.308 56.287 0.193 0.000 0.962 9 K CB 0.272 32.859 32.500 0.145 0.000 0.759 9 K HN 0.495 nan 8.250 nan 0.000 0.469 10 Q N 0.237 120.153 119.800 0.193 0.000 2.212 10 Q HA 0.057 4.397 4.340 -0.000 0.000 0.199 10 Q C -0.316 175.843 176.000 0.265 0.000 0.950 10 Q CA 0.849 56.781 55.803 0.213 0.000 0.863 10 Q CB 0.386 29.192 28.738 0.115 0.000 0.944 10 Q HN 0.232 nan 8.270 nan 0.000 0.465 11 N N -1.134 117.679 118.700 0.188 0.000 2.260 11 N HA 0.342 5.081 4.740 -0.000 0.000 0.293 11 N C -1.249 174.258 175.510 -0.004 0.000 1.058 11 N CA -0.361 52.738 53.050 0.082 0.000 0.824 11 N CB 1.208 39.720 38.487 0.042 0.000 1.551 11 N HN -0.107 nan 8.380 nan 0.000 0.475 12 F N 0.238 119.816 119.950 -0.620 0.000 2.683 12 F HA 0.189 4.716 4.527 -0.001 0.000 0.306 12 F C 1.564 177.088 175.800 -0.460 0.000 1.102 12 F CA -0.335 57.292 58.000 -0.621 0.000 1.244 12 F CB 0.286 38.646 39.000 -1.066 0.000 1.029 12 F HN 0.445 nan 8.300 nan 0.000 0.545 13 S N -1.479 114.083 115.700 -0.230 0.000 2.507 13 S HA -0.138 4.331 4.470 -0.000 0.000 0.235 13 S C 1.912 176.301 174.600 -0.352 0.000 0.988 13 S CA 1.277 59.315 58.200 -0.269 0.000 0.944 13 S CB -0.944 62.112 63.200 -0.241 0.000 0.762 13 S HN 0.461 nan 8.310 nan 0.000 0.526 14 T N -0.901 113.443 114.554 -0.350 0.000 3.129 14 T HA 0.139 4.488 4.350 -0.000 0.000 0.251 14 T C 0.078 174.619 174.700 -0.264 0.000 1.117 14 T CA -0.188 61.709 62.100 -0.339 0.000 1.034 14 T CB -0.160 68.527 68.868 -0.302 0.000 0.968 14 T HN 0.178 nan 8.240 nan 0.000 0.526 15 D N 0.991 121.242 120.400 -0.249 0.000 2.268 15 D HA 0.521 5.161 4.640 -0.000 0.000 0.249 15 D C -0.809 175.423 176.300 -0.114 0.000 1.008 15 D CA -0.437 53.446 54.000 -0.195 0.000 0.939 15 D CB 2.552 43.209 40.800 -0.238 0.000 1.170 15 D HN 0.024 nan 8.370 nan 0.000 0.468 16 V N 2.143 122.019 119.914 -0.063 0.000 2.444 16 V HA 0.343 4.463 4.120 -0.000 0.000 0.294 16 V C 0.260 176.403 176.094 0.081 0.000 1.022 16 V CA -0.729 61.566 62.300 -0.008 0.000 0.850 16 V CB 1.560 33.364 31.823 -0.031 0.000 0.992 16 V HN 0.367 nan 8.190 nan 0.000 0.426 17 I N 4.741 125.405 120.570 0.156 0.000 2.395 17 I HA 0.328 4.498 4.170 -0.000 0.000 0.289 17 I C -0.802 175.518 176.117 0.338 0.000 1.023 17 I CA -0.409 61.061 61.300 0.283 0.000 1.350 17 I CB 0.846 39.055 38.000 0.348 0.000 1.409 17 I HN 0.624 nan 8.210 nan 0.000 0.507 18 Y N 6.374 126.789 120.300 0.190 0.000 2.334 18 Y HA 0.265 4.815 4.550 -0.001 0.000 0.336 18 Y C -0.036 175.966 175.900 0.171 0.000 0.960 18 Y CA -0.532 57.658 58.100 0.150 0.000 1.164 18 Y CB 1.075 39.577 38.460 0.070 0.000 1.155 18 Y HN 0.503 nan 8.280 nan 0.000 0.478 19 Q N 7.452 127.188 119.800 -0.107 0.000 2.349 19 Q HA 0.416 4.756 4.340 -0.000 0.000 0.254 19 Q C -1.370 174.474 176.000 -0.260 0.000 0.980 19 Q CA -0.354 55.319 55.803 -0.216 0.000 0.924 19 Q CB 0.541 29.062 28.738 -0.361 0.000 1.209 19 Q HN 0.765 nan 8.270 nan 0.000 0.445 20 I N 4.418 124.816 120.570 -0.286 0.000 2.339 20 I HA 0.223 4.393 4.170 -0.000 0.000 0.290 20 I C -0.539 175.374 176.117 -0.339 0.000 0.994 20 I CA -0.681 60.405 61.300 -0.358 0.000 1.191 20 I CB 0.957 38.735 38.000 -0.371 0.000 1.343 20 I HN 0.606 nan 8.210 nan 0.000 0.458 21 F N 5.301 124.870 119.950 -0.634 0.000 2.439 21 F HA 0.074 4.601 4.527 -0.001 0.000 0.356 21 F C 1.793 177.350 175.800 -0.405 0.000 1.161 21 F CA 0.063 57.797 58.000 -0.444 0.000 1.151 21 F CB 0.857 39.670 39.000 -0.313 0.000 1.222 21 F HN 0.568 nan 8.300 nan 0.000 0.558 22 T N 1.360 115.688 114.554 -0.377 0.000 2.685 22 T HA -0.324 4.026 4.350 -0.000 0.000 0.268 22 T C 1.638 176.244 174.700 -0.157 0.000 1.034 22 T CA 2.065 63.961 62.100 -0.339 0.000 1.149 22 T CB -0.227 68.172 68.868 -0.782 0.000 0.860 22 T HN 0.614 nan 8.240 nan 0.000 0.449 23 D N 0.238 120.595 120.400 -0.072 0.000 2.264 23 D HA -0.065 4.575 4.640 -0.000 0.000 0.208 23 D C 1.886 178.265 176.300 0.132 0.000 0.966 23 D CA 0.663 54.750 54.000 0.145 0.000 0.864 23 D CB 0.186 41.159 40.800 0.287 0.000 0.933 23 D HN 0.111 nan 8.370 nan 0.000 0.499 24 R N -0.746 119.803 120.500 0.081 0.000 2.468 24 R HA 0.140 4.480 4.340 -0.000 0.000 0.280 24 R C 0.524 176.879 176.300 0.091 0.000 0.963 24 R CA -0.172 55.966 56.100 0.064 0.000 1.083 24 R CB -0.203 30.134 30.300 0.061 0.000 1.200 24 R HN 0.267 nan 8.270 nan 0.000 0.541 25 F N 0.345 120.263 119.950 -0.053 0.000 2.414 25 F HA 0.331 4.858 4.527 -0.001 0.000 0.255 25 F C 0.251 176.180 175.800 0.215 0.000 1.032 25 F CA 0.140 58.184 58.000 0.074 0.000 1.049 25 F CB 0.271 39.292 39.000 0.036 0.000 1.140 25 F HN -0.198 nan 8.300 nan 0.000 0.643 26 S N -0.003 115.800 115.700 0.171 0.000 2.575 26 S HA 0.256 4.725 4.470 -0.000 0.000 0.278 26 S C -1.797 172.864 174.600 0.102 0.000 1.139 26 S CA -0.762 57.468 58.200 0.050 0.000 0.954 26 S CB 0.935 64.052 63.200 -0.138 0.000 1.054 26 S HN 0.288 nan 8.310 nan 0.000 0.483 27 D N 3.572 124.022 120.400 0.083 0.000 2.435 27 D HA 0.363 5.002 4.640 -0.000 0.000 0.230 27 D C 1.236 177.569 176.300 0.055 0.000 1.215 27 D CA 0.075 54.129 54.000 0.090 0.000 0.947 27 D CB 0.419 41.287 40.800 0.113 0.000 1.048 27 D HN 0.692 nan 8.370 nan 0.000 0.512 28 G N 3.236 112.071 108.800 0.059 0.000 2.551 28 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.216 28 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.216 28 G C 0.717 175.640 174.900 0.039 0.000 1.137 28 G CA -0.175 44.950 45.100 0.041 0.000 0.798 28 G HN 0.466 nan 8.290 nan 0.000 0.536 29 N N -0.164 118.561 118.700 0.041 0.000 2.576 29 N HA 0.293 5.032 4.740 -0.000 0.000 0.269 29 N C -1.927 173.584 175.510 0.001 0.000 1.058 29 N CA -2.160 50.904 53.050 0.023 0.000 0.860 29 N CB 2.553 41.059 38.487 0.032 0.000 1.249 29 N HN -0.167 nan 8.380 nan 0.000 0.525 30 P HA -0.041 nan 4.420 nan 0.000 0.223 30 P C 0.850 178.097 177.300 -0.089 0.000 1.151 30 P CA 0.584 63.659 63.100 -0.042 0.000 0.787 30 P CB 0.342 32.027 31.700 -0.024 0.000 0.788 31 A N 1.482 124.263 122.820 -0.065 0.000 2.067 31 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 31 A C 1.752 179.275 177.584 -0.103 0.000 1.158 31 A CA 1.600 53.589 52.037 -0.080 0.000 0.661 31 A CB -1.358 17.612 19.000 -0.049 0.000 0.801 31 A HN 0.330 nan 8.150 nan 0.000 0.452 32 N N -0.088 118.555 118.700 -0.094 0.000 2.322 32 N HA 0.013 4.753 4.740 -0.000 0.000 0.194 32 N C -0.610 174.792 175.510 -0.181 0.000 1.126 32 N CA -0.246 52.735 53.050 -0.115 0.000 0.845 32 N CB -0.592 37.849 38.487 -0.076 0.000 0.976 32 N HN 0.175 nan 8.380 nan 0.000 0.475 33 N N 2.048 120.604 118.700 -0.240 0.000 2.513 33 N HA 0.258 4.998 4.740 -0.000 0.000 0.268 33 N C -2.292 172.954 175.510 -0.439 0.000 1.180 33 N CA -1.262 51.565 53.050 -0.372 0.000 0.948 33 N CB 0.304 38.401 38.487 -0.651 0.000 1.083 33 N HN 0.177 nan 8.380 nan 0.000 0.455 34 P HA 0.030 nan 4.420 nan 0.000 0.270 34 P C -0.146 176.988 177.300 -0.276 0.000 1.221 34 P CA 0.087 63.010 63.100 -0.294 0.000 0.788 34 P CB 0.453 31.974 31.700 -0.298 0.000 0.904 35 T N -2.356 112.121 114.554 -0.129 0.000 2.926 35 T HA 0.695 5.045 4.350 -0.000 0.000 0.289 35 T C 0.514 175.242 174.700 0.047 0.000 1.054 35 T CA -0.115 61.939 62.100 -0.077 0.000 1.015 35 T CB 1.393 70.200 68.868 -0.102 0.000 1.167 35 T HN 0.746 nan 8.240 nan 0.000 0.526 36 G N 0.885 109.728 108.800 0.072 0.000 2.527 36 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.268 36 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.268 36 G C 1.117 176.091 174.900 0.123 0.000 1.175 36 G CA 0.546 45.695 45.100 0.080 0.000 0.962 36 G HN 1.788 nan 8.290 nan 0.000 0.560 37 A N -0.242 122.637 122.820 0.097 0.000 2.172 37 A HA 0.473 4.793 4.320 -0.000 0.000 0.216 37 A C 2.678 180.343 177.584 0.135 0.000 1.154 37 A CA 2.511 54.608 52.037 0.100 0.000 0.701 37 A CB -0.637 18.407 19.000 0.075 0.000 0.789 37 A HN 2.229 nan 8.150 nan 0.000 0.465 38 A N -1.853 121.073 122.820 0.176 0.000 2.169 38 A HA 0.433 4.753 4.320 -0.000 0.000 0.212 38 A C 0.392 178.181 177.584 0.340 0.000 1.153 38 A CA 0.238 52.424 52.037 0.248 0.000 0.756 38 A CB -0.215 18.926 19.000 0.235 0.000 0.813 38 A HN 0.520 nan 8.150 nan 0.000 0.471 39 F N -0.433 119.579 119.950 0.104 0.000 2.551 39 F HA 0.591 5.118 4.527 -0.000 0.000 0.316 39 F C -1.538 174.301 175.800 0.065 0.000 1.089 39 F CA -1.535 56.524 58.000 0.099 0.000 0.915 39 F CB 1.888 40.918 39.000 0.050 0.000 1.186 39 F HN -0.032 nan 8.300 nan 0.000 0.456 40 D N 3.294 123.199 120.400 -0.826 0.000 2.330 40 D HA 0.275 4.915 4.640 -0.000 0.000 0.249 40 D C 0.885 176.640 176.300 -0.909 0.000 1.306 40 D CA -0.004 53.611 54.000 -0.642 0.000 0.956 40 D CB 1.149 41.770 40.800 -0.300 0.000 1.261 40 D HN 0.707 nan 8.370 nan 0.000 0.544 41 G N 1.466 109.663 108.800 -1.004 0.000 2.462 41 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.220 41 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.220 41 G C 1.337 176.120 174.900 -0.196 0.000 1.121 41 G CA 1.158 45.984 45.100 -0.458 0.000 0.758 41 G HN 0.524 nan 8.290 nan 0.000 0.559 42 S N -1.590 114.009 115.700 -0.168 0.000 2.561 42 S HA 0.006 4.475 4.470 -0.000 0.000 0.225 42 S C 1.327 175.862 174.600 -0.108 0.000 0.977 42 S CA 0.543 58.685 58.200 -0.097 0.000 0.926 42 S CB -0.637 62.522 63.200 -0.068 0.000 0.769 42 S HN 0.762 nan 8.310 nan 0.000 0.533 43 c N 2.454 120.956 118.600 -0.163 0.000 4.114 43 c HA -0.177 4.393 4.570 -0.000 0.000 0.300 43 c C 1.735 175.760 174.090 -0.109 0.000 1.423 43 c CA 1.130 57.371 56.329 -0.147 0.000 2.034 43 c CB -2.858 39.587 42.510 -0.108 0.000 1.299 43 c HN 0.900 nan 8.230 nan 0.000 0.727 44 T N -3.166 111.327 114.554 -0.101 0.000 3.037 44 T HA 0.088 4.438 4.350 -0.000 0.000 0.251 44 T C 0.445 175.099 174.700 -0.077 0.000 1.079 44 T CA 0.834 62.890 62.100 -0.074 0.000 1.067 44 T CB -0.102 68.733 68.868 -0.055 0.000 0.948 44 T HN 0.667 nan 8.240 nan 0.000 0.496 45 N N 1.474 120.116 118.700 -0.097 0.000 2.546 45 N HA 0.196 4.936 4.740 -0.000 0.000 0.238 45 N C 0.061 175.487 175.510 -0.140 0.000 0.984 45 N CA -0.751 52.247 53.050 -0.086 0.000 0.935 45 N CB 0.940 39.387 38.487 -0.066 0.000 1.122 45 N HN 0.004 nan 8.380 nan 0.000 0.510 46 L N 3.379 124.514 121.223 -0.146 0.000 2.650 46 L HA 0.158 4.498 4.340 -0.000 0.000 0.235 46 L C 1.670 178.307 176.870 -0.387 0.000 1.149 46 L CA 0.558 55.252 54.840 -0.243 0.000 0.887 46 L CB -0.435 41.529 42.059 -0.157 0.000 1.021 46 L HN 0.494 nan 8.230 nan 0.000 0.441 47 R N -1.970 118.386 120.500 -0.240 0.000 2.397 47 R HA 0.267 4.607 4.340 -0.000 0.000 0.241 47 R C -0.119 176.113 176.300 -0.113 0.000 0.914 47 R CA -0.329 55.689 56.100 -0.136 0.000 1.071 47 R CB 0.589 30.944 30.300 0.092 0.000 1.116 47 R HN 0.093 nan 8.270 nan 0.000 0.524 48 L N 0.142 121.252 121.223 -0.188 0.000 2.365 48 L HA 0.348 4.687 4.340 -0.000 0.000 0.267 48 L C -0.083 176.719 176.870 -0.114 0.000 1.033 48 L CA -1.246 53.552 54.840 -0.069 0.000 0.802 48 L CB 0.290 42.323 42.059 -0.043 0.000 1.267 48 L HN -0.089 nan 8.230 nan 0.000 0.457 49 Y N -0.320 119.990 120.300 0.017 0.000 2.442 49 Y HA 0.040 4.590 4.550 -0.000 0.000 0.330 49 Y C 1.156 176.997 175.900 -0.098 0.000 1.129 49 Y CA 0.169 58.315 58.100 0.077 0.000 1.365 49 Y CB 0.704 39.309 38.460 0.240 0.000 1.233 49 Y HN 0.544 nan 8.280 nan 0.000 0.529 50 c N 0.841 119.486 118.600 0.074 0.000 2.735 50 c HA 0.296 4.866 4.570 -0.000 0.000 0.271 50 c C 1.764 175.981 174.090 0.212 0.000 1.281 50 c CA 0.561 56.849 56.329 -0.068 0.000 1.719 50 c CB -0.560 41.919 42.510 -0.052 0.000 2.024 50 c HN 1.219 nan 8.230 nan 0.000 0.566 51 G N 0.045 109.094 108.800 0.415 0.000 2.192 51 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.193 51 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.193 51 G C 0.350 175.397 174.900 0.245 0.000 0.999 51 G CA -0.133 45.221 45.100 0.423 0.000 0.659 51 G HN 0.765 nan 8.290 nan 0.000 0.503 52 G N 0.523 109.453 108.800 0.216 0.000 2.491 52 G HA2 0.563 4.523 3.960 -0.000 0.000 0.238 52 G HA3 0.563 4.523 3.960 -0.000 0.000 0.238 52 G C -0.045 174.926 174.900 0.119 0.000 1.277 52 G CA 1.032 46.227 45.100 0.158 0.000 0.851 52 G HN 1.030 nan 8.290 nan 0.000 0.573 53 D N -0.974 119.476 120.400 0.083 0.000 2.759 53 D HA 0.198 4.838 4.640 -0.000 0.000 0.321 53 D C 0.395 176.753 176.300 0.097 0.000 1.267 53 D CA -0.871 53.124 54.000 -0.007 0.000 0.933 53 D CB 0.220 41.031 40.800 0.020 0.000 1.431 53 D HN 0.310 nan 8.370 nan 0.000 0.504 54 W N -0.470 120.904 121.300 0.124 0.000 2.402 54 W HA -0.008 4.651 4.660 -0.001 0.000 0.286 54 W C 2.028 178.598 176.519 0.086 0.000 1.221 54 W CA 0.858 58.263 57.345 0.100 0.000 1.257 54 W CB -0.880 28.667 29.460 0.145 0.000 1.120 54 W HN 0.548 nan 8.180 nan 0.000 0.551 55 Q N 0.430 120.398 119.800 0.280 0.000 2.170 55 Q HA -0.079 4.260 4.340 -0.000 0.000 0.203 55 Q C 2.350 178.433 176.000 0.138 0.000 0.976 55 Q CA 2.295 58.203 55.803 0.175 0.000 0.858 55 Q CB -0.920 27.893 28.738 0.126 0.000 0.907 55 Q HN 0.167 nan 8.270 nan 0.000 0.433 56 G N -0.009 108.885 108.800 0.155 0.000 2.408 56 G HA2 -0.160 3.799 3.960 -0.000 0.000 0.217 56 G HA3 -0.160 3.799 3.960 -0.000 0.000 0.217 56 G C 1.397 176.432 174.900 0.226 0.000 1.150 56 G CA 0.790 45.972 45.100 0.137 0.000 0.776 56 G HN 0.416 nan 8.290 nan 0.000 0.542 57 I N 0.589 121.341 120.570 0.303 0.000 2.252 57 I HA -0.090 4.079 4.170 -0.000 0.000 0.245 57 I C 2.608 178.825 176.117 0.166 0.000 1.102 57 I CA 0.654 62.132 61.300 0.297 0.000 1.385 57 I CB -0.195 37.922 38.000 0.195 0.000 1.064 57 I HN 0.114 nan 8.210 nan 0.000 0.414 58 I N 1.056 121.697 120.570 0.119 0.000 2.194 58 I HA -0.331 3.839 4.170 -0.000 0.000 0.246 58 I C 2.168 178.298 176.117 0.023 0.000 1.093 58 I CA 1.413 62.746 61.300 0.054 0.000 1.355 58 I CB -0.611 37.429 38.000 0.066 0.000 1.046 58 I HN 0.336 nan 8.210 nan 0.000 0.413 59 N N 0.916 119.633 118.700 0.029 0.000 2.166 59 N HA -0.139 4.601 4.740 -0.000 0.000 0.186 59 N C 1.628 177.110 175.510 -0.047 0.000 1.019 59 N CA 1.116 54.153 53.050 -0.022 0.000 0.856 59 N CB -0.170 38.287 38.487 -0.050 0.000 0.993 59 N HN 0.256 nan 8.380 nan 0.000 0.426 60 K N 0.430 120.833 120.400 0.004 0.000 2.418 60 K HA 0.187 4.507 4.320 -0.000 0.000 0.195 60 K C 1.880 178.525 176.600 0.074 0.000 1.035 60 K CA 0.053 56.367 56.287 0.046 0.000 1.003 60 K CB 0.135 32.754 32.500 0.199 0.000 0.793 60 K HN 0.295 nan 8.250 nan 0.000 0.494 61 I N 1.134 121.698 120.570 -0.010 0.000 2.235 61 I HA -0.207 3.963 4.170 -0.000 0.000 0.241 61 I C 1.699 177.646 176.117 -0.283 0.000 1.085 61 I CA 0.720 61.931 61.300 -0.148 0.000 1.378 61 I CB -0.223 37.665 38.000 -0.187 0.000 1.076 61 I HN 0.070 nan 8.210 nan 0.000 0.415 62 N N 1.307 119.863 118.700 -0.240 0.000 2.094 62 N HA -0.213 4.527 4.740 -0.000 0.000 0.191 62 N C 1.223 176.687 175.510 -0.077 0.000 1.023 62 N CA 1.847 54.793 53.050 -0.174 0.000 0.857 62 N CB -0.535 37.916 38.487 -0.060 0.000 1.013 62 N HN 0.501 nan 8.380 nan 0.000 0.426 63 D N -1.263 119.107 120.400 -0.050 0.000 2.328 63 D HA 0.115 4.755 4.640 -0.000 0.000 0.226 63 D C 1.068 177.379 176.300 0.018 0.000 1.066 63 D CA 0.614 54.604 54.000 -0.017 0.000 0.861 63 D CB -0.414 40.364 40.800 -0.036 0.000 0.912 63 D HN 0.249 nan 8.370 nan 0.000 0.521 64 G N -0.180 108.626 108.800 0.010 0.000 2.159 64 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.256 64 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.256 64 G C 0.569 175.533 174.900 0.107 0.000 0.977 64 G CA 0.405 45.530 45.100 0.041 0.000 0.652 64 G HN 0.396 nan 8.290 nan 0.000 0.531 65 Y N 0.341 120.662 120.300 0.036 0.000 2.163 65 Y HA 0.131 4.681 4.550 -0.000 0.000 0.288 65 Y C 2.468 178.452 175.900 0.139 0.000 1.136 65 Y CA 2.219 60.401 58.100 0.137 0.000 1.147 65 Y CB -0.155 38.374 38.460 0.116 0.000 0.987 65 Y HN 0.224 nan 8.280 nan 0.000 0.509 66 L N -0.244 120.985 121.223 0.010 0.000 2.095 66 L HA -0.105 4.235 4.340 -0.000 0.000 0.204 66 L C 2.655 179.411 176.870 -0.190 0.000 1.080 66 L CA 2.348 57.079 54.840 -0.182 0.000 0.759 66 L CB -1.799 40.209 42.059 -0.085 0.000 0.914 66 L HN 0.474 nan 8.230 nan 0.000 0.439 67 T N -4.098 110.399 114.554 -0.095 0.000 2.995 67 T HA -0.033 4.317 4.350 -0.000 0.000 0.269 67 T C 1.840 176.500 174.700 -0.066 0.000 1.091 67 T CA 0.823 62.883 62.100 -0.067 0.000 1.128 67 T CB -0.624 68.238 68.868 -0.010 0.000 0.891 67 T HN 0.293 nan 8.240 nan 0.000 0.492 68 G N 0.526 109.301 108.800 -0.041 0.000 2.572 68 G HA2 0.090 4.050 3.960 -0.000 0.000 0.216 68 G HA3 0.090 4.050 3.960 -0.000 0.000 0.216 68 G C 1.392 176.239 174.900 -0.087 0.000 1.133 68 G CA 0.043 45.160 45.100 0.029 0.000 0.791 68 G HN 0.483 nan 8.290 nan 0.000 0.538 69 M N 0.207 119.598 119.600 -0.349 0.000 2.556 69 M HA 0.210 4.690 4.480 -0.000 0.000 0.245 69 M C 1.709 177.807 176.300 -0.335 0.000 1.128 69 M CA 0.759 55.685 55.300 -0.624 0.000 1.069 69 M CB 0.412 32.489 32.600 -0.873 0.000 1.469 69 M HN 0.337 nan 8.290 nan 0.000 0.494 70 G N 1.559 110.234 108.800 -0.210 0.000 2.147 70 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.244 70 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.244 70 G C -0.035 174.784 174.900 -0.135 0.000 1.005 70 G CA -0.352 44.660 45.100 -0.146 0.000 0.713 70 G HN 0.352 nan 8.290 nan 0.000 0.515 71 I N 1.603 122.083 120.570 -0.150 0.000 2.588 71 I HA 0.298 4.467 4.170 -0.000 0.000 0.283 71 I C 1.721 177.803 176.117 -0.058 0.000 1.119 71 I CA 1.202 62.446 61.300 -0.093 0.000 1.419 71 I CB 0.959 38.877 38.000 -0.136 0.000 1.394 71 I HN 0.362 nan 8.210 nan 0.000 0.562 72 T N 1.581 116.115 114.554 -0.034 0.000 3.043 72 T HA 0.630 4.980 4.350 -0.000 0.000 0.272 72 T C 0.166 174.856 174.700 -0.016 0.000 0.990 72 T CA -0.162 61.909 62.100 -0.048 0.000 0.897 72 T CB 0.362 69.168 68.868 -0.104 0.000 1.111 72 T HN 0.678 nan 8.240 nan 0.000 0.529 73 A N 0.644 123.506 122.820 0.070 0.000 2.547 73 A HA 0.791 5.111 4.320 -0.000 0.000 0.297 73 A C -1.698 176.036 177.584 0.250 0.000 1.056 73 A CA -0.740 51.404 52.037 0.177 0.000 0.688 73 A CB 1.404 20.579 19.000 0.292 0.000 1.282 73 A HN 0.313 nan 8.150 nan 0.000 0.400 74 I N 1.473 122.202 120.570 0.265 0.000 2.474 74 I HA 0.666 4.836 4.170 -0.000 0.000 0.294 74 I C -1.321 175.022 176.117 0.376 0.000 1.005 74 I CA -0.128 61.335 61.300 0.273 0.000 1.113 74 I CB 1.666 39.756 38.000 0.149 0.000 1.289 74 I HN 0.727 nan 8.210 nan 0.000 0.436 75 W N 9.582 130.975 121.300 0.156 0.000 2.424 75 W HA 0.645 5.305 4.660 -0.001 0.000 0.318 75 W C -1.389 175.165 176.519 0.059 0.000 1.016 75 W CA -1.701 55.733 57.345 0.148 0.000 1.268 75 W CB 0.735 30.328 29.460 0.221 0.000 1.297 75 W HN 0.352 nan 8.180 nan 0.000 0.428 76 I N 2.485 123.219 120.570 0.274 0.000 2.750 76 I HA 0.653 4.823 4.170 -0.000 0.000 0.308 76 I C 0.543 176.643 176.117 -0.029 0.000 1.016 76 I CA -0.937 60.379 61.300 0.026 0.000 1.098 76 I CB 1.636 39.690 38.000 0.089 0.000 1.279 76 I HN 0.169 nan 8.210 nan 0.000 0.454 77 S N 2.049 117.583 115.700 -0.275 0.000 2.559 77 S HA -0.066 4.403 4.470 -0.000 0.000 0.282 77 S C 0.048 174.599 174.600 -0.083 0.000 1.336 77 S CA -0.263 57.716 58.200 -0.369 0.000 1.037 77 S CB 0.174 63.020 63.200 -0.591 0.000 0.853 77 S HN 0.737 nan 8.310 nan 0.000 0.523 78 Q N 3.006 122.748 119.800 -0.096 0.000 2.283 78 Q HA -0.012 4.328 4.340 -0.000 0.000 0.301 78 Q C -1.515 174.517 176.000 0.054 0.000 1.063 78 Q CA -1.032 54.755 55.803 -0.027 0.000 0.952 78 Q CB 0.567 29.270 28.738 -0.058 0.000 1.166 78 Q HN 0.359 nan 8.270 nan 0.000 0.381 79 P HA 0.018 nan 4.420 nan 0.000 0.251 79 P C -0.013 177.354 177.300 0.112 0.000 1.223 79 P CA 0.098 63.295 63.100 0.162 0.000 0.796 79 P CB 0.364 31.873 31.700 -0.318 0.000 1.068 80 V N 1.731 121.602 119.914 -0.072 0.000 2.740 80 V HA -0.001 4.118 4.120 -0.000 0.000 0.303 80 V C 1.061 177.112 176.094 -0.073 0.000 1.054 80 V CA -0.224 62.074 62.300 -0.002 0.000 1.106 80 V CB 0.167 31.875 31.823 -0.192 0.000 0.957 80 V HN 0.139 nan 8.190 nan 0.000 0.486 81 E N 3.562 123.745 120.200 -0.028 0.000 2.480 81 E HA -0.025 4.325 4.350 -0.000 0.000 0.258 81 E C -0.325 176.139 176.600 -0.226 0.000 0.984 81 E CA 0.015 56.339 56.400 -0.126 0.000 0.930 81 E CB 0.317 29.988 29.700 -0.047 0.000 0.936 81 E HN 0.661 nan 8.360 nan 0.000 0.466 82 N N 2.433 120.934 118.700 -0.331 0.000 2.483 82 N HA 0.339 5.079 4.740 -0.000 0.000 0.285 82 N C -0.459 174.797 175.510 -0.425 0.000 1.210 82 N CA -0.645 52.233 53.050 -0.286 0.000 0.931 82 N CB 0.793 39.139 38.487 -0.237 0.000 1.220 82 N HN 0.448 nan 8.380 nan 0.000 0.542 83 I N -1.404 119.050 120.570 -0.195 0.000 2.892 83 I HA 0.039 4.208 4.170 -0.000 0.000 0.287 83 I C -0.055 175.885 176.117 -0.295 0.000 1.205 83 I CA 0.145 61.333 61.300 -0.188 0.000 1.409 83 I CB 0.361 38.346 38.000 -0.025 0.000 1.367 83 I HN 0.559 nan 8.210 nan 0.000 0.597 84 Y N 1.916 122.231 120.300 0.026 0.000 2.478 84 Y HA 0.169 4.719 4.550 -0.000 0.000 0.261 84 Y C 1.506 177.431 175.900 0.043 0.000 1.127 84 Y CA -0.117 57.996 58.100 0.022 0.000 1.288 84 Y CB -0.213 38.229 38.460 -0.031 0.000 1.084 84 Y HN 0.571 nan 8.280 nan 0.000 0.530 85 S N 0.655 116.427 115.700 0.121 0.000 2.563 85 S HA 0.158 4.627 4.470 -0.000 0.000 0.284 85 S C -0.056 174.604 174.600 0.099 0.000 1.331 85 S CA -0.403 57.826 58.200 0.049 0.000 1.047 85 S CB 1.053 64.196 63.200 -0.095 0.000 0.859 85 S HN -0.048 nan 8.310 nan 0.000 0.514 86 V N 4.059 124.015 119.914 0.070 0.000 2.347 86 V HA 0.353 4.473 4.120 -0.000 0.000 0.280 86 V C -0.020 176.088 176.094 0.023 0.000 1.021 86 V CA -0.396 61.964 62.300 0.100 0.000 0.847 86 V CB 0.495 32.375 31.823 0.095 0.000 0.990 86 V HN 0.705 nan 8.190 nan 0.000 0.444 87 I N 4.711 125.291 120.570 0.018 0.000 2.359 87 I HA 0.354 4.524 4.170 -0.000 0.000 0.294 87 I C 0.321 176.347 176.117 -0.152 0.000 0.987 87 I CA -0.275 60.928 61.300 -0.162 0.000 1.225 87 I CB 1.311 39.114 38.000 -0.329 0.000 1.366 87 I HN 0.542 nan 8.210 nan 0.000 0.466 88 N N 7.010 125.621 118.700 -0.148 0.000 2.462 88 N HA 0.197 4.937 4.740 -0.000 0.000 0.242 88 N C -1.567 173.881 175.510 -0.103 0.000 1.010 88 N CA -0.276 52.741 53.050 -0.055 0.000 0.939 88 N CB 0.569 39.056 38.487 0.001 0.000 1.127 88 N HN 0.412 nan 8.380 nan 0.000 0.509 89 Y N 1.901 122.278 120.300 0.129 0.000 2.353 89 Y HA 0.104 4.653 4.550 -0.000 0.000 0.340 89 Y C 1.047 176.987 175.900 0.066 0.000 0.972 89 Y CA -0.489 57.671 58.100 0.099 0.000 1.157 89 Y CB 1.078 39.604 38.460 0.109 0.000 1.157 89 Y HN 0.516 nan 8.280 nan 0.000 0.495 90 S N 2.449 118.266 115.700 0.194 0.000 3.614 90 S HA -0.246 4.224 4.470 -0.000 0.000 0.360 90 S C 1.320 175.976 174.600 0.093 0.000 1.023 90 S CA 0.902 59.172 58.200 0.117 0.000 1.114 90 S CB -1.608 61.655 63.200 0.105 0.000 0.907 90 S HN 1.485 nan 8.310 nan 0.000 0.470 91 G N -1.723 107.127 108.800 0.083 0.000 2.363 91 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.238 91 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.238 91 G C 0.167 175.113 174.900 0.078 0.000 1.062 91 G CA -0.091 45.048 45.100 0.065 0.000 0.629 91 G HN 1.381 nan 8.290 nan 0.000 0.514 92 V N 2.699 122.679 119.914 0.109 0.000 2.455 92 V HA 0.379 4.499 4.120 -0.000 0.000 0.273 92 V C 0.397 176.574 176.094 0.139 0.000 1.045 92 V CA -0.816 61.554 62.300 0.117 0.000 0.976 92 V CB 1.237 33.141 31.823 0.134 0.000 0.993 92 V HN 0.389 nan 8.190 nan 0.000 0.475 93 N N 4.523 123.287 118.700 0.108 0.000 2.520 93 N HA 0.284 5.024 4.740 -0.000 0.000 0.273 93 N C -0.347 175.263 175.510 0.166 0.000 1.155 93 N CA 0.083 53.202 53.050 0.114 0.000 0.967 93 N CB 0.549 39.088 38.487 0.087 0.000 1.092 93 N HN 0.690 nan 8.380 nan 0.000 0.457 94 N N -0.059 118.773 118.700 0.220 0.000 2.225 94 N HA 0.404 5.144 4.740 -0.000 0.000 0.298 94 N C -0.697 175.008 175.510 0.325 0.000 1.076 94 N CA -0.391 52.854 53.050 0.324 0.000 0.792 94 N CB 2.207 41.035 38.487 0.569 0.000 1.498 94 N HN 0.531 nan 8.380 nan 0.000 0.474 95 T N -2.626 112.053 114.554 0.209 0.000 2.888 95 T HA 0.575 4.925 4.350 -0.000 0.000 0.288 95 T C 0.397 174.865 174.700 -0.386 0.000 1.063 95 T CA -0.775 61.395 62.100 0.117 0.000 1.010 95 T CB 1.636 70.581 68.868 0.128 0.000 1.214 95 T HN 0.354 nan 8.240 nan 0.000 0.533 96 A N 0.481 123.045 122.820 -0.427 0.000 2.543 96 A HA 0.284 4.604 4.320 -0.000 0.000 0.258 96 A C 1.275 178.122 177.584 -1.227 0.000 1.391 96 A CA -0.285 51.163 52.037 -0.981 0.000 1.066 96 A CB -1.729 17.125 19.000 -0.243 0.000 0.972 96 A HN 0.949 nan 8.150 nan 0.000 0.560 97 Y N -0.163 119.332 120.300 -1.342 0.000 2.241 97 Y HA -0.344 4.206 4.550 -0.001 0.000 0.286 97 Y C 1.843 177.411 175.900 -0.554 0.000 1.166 97 Y CA 1.848 59.216 58.100 -1.221 0.000 1.203 97 Y CB -1.131 36.844 38.460 -0.807 0.000 0.977 97 Y HN 0.658 nan 8.280 nan 0.000 0.529 98 H N -1.300 117.017 119.070 -1.256 0.000 2.547 98 H HA 0.330 4.886 4.556 -0.000 0.000 0.272 98 H C 1.960 176.689 175.328 -1.000 0.000 0.989 98 H CA 0.025 55.400 56.048 -1.122 0.000 1.214 98 H CB -0.581 28.475 29.762 -1.177 0.000 1.389 98 H HN 0.453 nan 8.280 nan 0.000 0.577 99 G N -0.090 108.351 108.800 -0.598 0.000 2.162 99 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.260 99 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.260 99 G C 0.296 175.061 174.900 -0.225 0.000 0.976 99 G CA 0.555 45.449 45.100 -0.344 0.000 0.655 99 G HN 0.513 nan 8.290 nan 0.000 0.533 100 Y N -1.494 118.856 120.300 0.084 0.000 2.490 100 Y HA 0.383 4.932 4.550 -0.000 0.000 0.281 100 Y C 0.903 177.058 175.900 0.425 0.000 1.174 100 Y CA -0.862 57.348 58.100 0.185 0.000 1.295 100 Y CB 0.245 38.765 38.460 0.101 0.000 1.062 100 Y HN 0.384 nan 8.280 nan 0.000 0.522 101 W N 1.307 122.731 121.300 0.206 0.000 2.149 101 W HA 0.699 5.359 4.660 -0.001 0.000 0.291 101 W C 0.021 176.527 176.519 -0.022 0.000 0.875 101 W CA -2.068 55.362 57.345 0.141 0.000 1.885 101 W CB -0.328 29.190 29.460 0.098 0.000 2.062 101 W HN -0.173 nan 8.180 nan 0.000 0.391 102 A N 1.889 124.771 122.820 0.103 0.000 2.407 102 A HA 0.538 4.857 4.320 -0.000 0.000 0.248 102 A C 1.250 178.788 177.584 -0.076 0.000 1.082 102 A CA 0.034 51.951 52.037 -0.199 0.000 0.785 102 A CB 0.693 19.236 19.000 -0.762 0.000 1.020 102 A HN 0.628 nan 8.150 nan 0.000 0.489 103 R N -0.129 120.320 120.500 -0.084 0.000 2.492 103 R HA 0.303 4.643 4.340 -0.000 0.000 0.219 103 R C -0.659 175.773 176.300 0.219 0.000 0.886 103 R CA 0.285 56.461 56.100 0.126 0.000 1.003 103 R CB 0.556 30.939 30.300 0.137 0.000 1.345 103 R HN 0.471 nan 8.270 nan 0.000 0.631 104 D N 0.063 120.516 120.400 0.088 0.000 2.575 104 D HA 0.206 4.846 4.640 -0.000 0.000 0.250 104 D C -0.682 175.745 176.300 0.212 0.000 1.279 104 D CA -0.743 53.417 54.000 0.266 0.000 0.925 104 D CB 0.956 41.885 40.800 0.215 0.000 1.261 104 D HN 0.022 nan 8.370 nan 0.000 0.567 105 F N 1.809 121.990 119.950 0.384 0.000 2.802 105 F HA 0.128 4.655 4.527 -0.001 0.000 0.300 105 F C 2.032 178.088 175.800 0.427 0.000 1.168 105 F CA 0.573 58.779 58.000 0.344 0.000 1.433 105 F CB 0.290 39.425 39.000 0.226 0.000 1.115 105 F HN 0.137 nan 8.300 nan 0.000 0.582 106 K N -0.313 120.348 120.400 0.434 0.000 2.373 106 K HA 0.167 4.487 4.320 -0.000 0.000 0.202 106 K C 0.172 176.863 176.600 0.150 0.000 1.025 106 K CA 0.147 56.571 56.287 0.228 0.000 1.115 106 K CB 0.545 33.150 32.500 0.175 0.000 0.858 106 K HN 0.124 nan 8.250 nan 0.000 0.525 107 K N 0.507 121.052 120.400 0.243 0.000 2.444 107 K HA 0.224 4.543 4.320 -0.000 0.000 0.252 107 K C -0.283 176.489 176.600 0.287 0.000 0.993 107 K CA -0.691 55.706 56.287 0.183 0.000 0.847 107 K CB 1.965 34.544 32.500 0.132 0.000 1.340 107 K HN -0.044 nan 8.250 nan 0.000 0.446 108 T N -1.454 113.269 114.554 0.282 0.000 2.874 108 T HA 0.182 4.531 4.350 -0.000 0.000 0.281 108 T C 0.206 174.987 174.700 0.135 0.000 0.994 108 T CA -0.801 61.518 62.100 0.365 0.000 1.015 108 T CB 0.732 69.924 68.868 0.541 0.000 1.028 108 T HN 0.443 nan 8.240 nan 0.000 0.523 109 N N 2.440 121.143 118.700 0.004 0.000 2.411 109 N HA 0.182 4.922 4.740 -0.000 0.000 0.259 109 N C -1.291 174.052 175.510 -0.279 0.000 1.103 109 N CA -2.431 50.460 53.050 -0.265 0.000 0.954 109 N CB 1.081 39.199 38.487 -0.614 0.000 1.085 109 N HN 0.390 nan 8.380 nan 0.000 0.485 110 P HA -0.106 nan 4.420 nan 0.000 0.222 110 P C 0.757 177.939 177.300 -0.197 0.000 1.147 110 P CA 0.776 63.809 63.100 -0.110 0.000 0.790 110 P CB 0.234 31.922 31.700 -0.021 0.000 0.780 111 A N -0.880 121.750 122.820 -0.316 0.000 1.969 111 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 111 A C 1.967 179.446 177.584 -0.175 0.000 1.169 111 A CA 1.123 52.976 52.037 -0.305 0.000 0.635 111 A CB -1.389 17.307 19.000 -0.507 0.000 0.810 111 A HN 0.084 nan 8.150 nan 0.000 0.445 112 Y N -0.872 119.138 120.300 -0.484 0.000 2.347 112 Y HA 0.390 4.940 4.550 -0.000 0.000 0.294 112 Y C 1.547 176.870 175.900 -0.962 0.000 1.117 112 Y CA 0.064 57.614 58.100 -0.918 0.000 1.184 112 Y CB -0.646 36.924 38.460 -1.482 0.000 1.047 112 Y HN 0.417 nan 8.280 nan 0.000 0.546 113 G N -1.010 107.484 108.800 -0.509 0.000 2.341 113 G HA2 0.303 4.263 3.960 -0.000 0.000 0.293 113 G HA3 0.303 4.263 3.960 -0.000 0.000 0.293 113 G C -0.748 174.304 174.900 0.253 0.000 1.298 113 G CA -0.516 44.598 45.100 0.023 0.000 0.868 113 G HN 0.153 nan 8.290 nan 0.000 0.540 114 T N -2.141 112.620 114.554 0.345 0.000 2.824 114 T HA 0.468 4.818 4.350 -0.000 0.000 0.277 114 T C 1.620 176.576 174.700 0.426 0.000 0.975 114 T CA 0.449 62.729 62.100 0.300 0.000 0.966 114 T CB 1.355 70.337 68.868 0.189 0.000 1.054 114 T HN 0.676 nan 8.240 nan 0.000 0.533 115 M N 0.425 120.204 119.600 0.298 0.000 2.213 115 M HA -0.039 4.441 4.480 -0.000 0.000 0.263 115 M C 2.334 178.781 176.300 0.245 0.000 1.062 115 M CA 1.637 57.093 55.300 0.259 0.000 1.105 115 M CB -0.986 31.690 32.600 0.126 0.000 1.385 115 M HN 0.840 nan 8.290 nan 0.000 0.417 116 Q N 0.225 120.141 119.800 0.194 0.000 2.119 116 Q HA -0.166 4.174 4.340 -0.000 0.000 0.201 116 Q C 1.443 177.553 176.000 0.184 0.000 0.972 116 Q CA 2.060 57.956 55.803 0.154 0.000 0.847 116 Q CB -0.367 28.441 28.738 0.116 0.000 0.903 116 Q HN 0.530 nan 8.270 nan 0.000 0.433 117 D N -0.687 119.878 120.400 0.274 0.000 2.144 117 D HA -0.142 4.498 4.640 -0.000 0.000 0.200 117 D C 1.534 178.003 176.300 0.282 0.000 0.978 117 D CA 0.822 55.017 54.000 0.325 0.000 0.833 117 D CB -0.297 40.799 40.800 0.494 0.000 0.961 117 D HN 0.307 nan 8.370 nan 0.000 0.470 118 F N 1.808 121.810 119.950 0.087 0.000 2.102 118 F HA -0.188 4.339 4.527 -0.001 0.000 0.298 118 F C 2.230 177.936 175.800 -0.156 0.000 1.105 118 F CA 1.413 59.220 58.000 -0.320 0.000 1.239 118 F CB 0.179 38.999 39.000 -0.300 0.000 0.991 118 F HN -0.201 nan 8.300 nan 0.000 0.474 119 K N 0.237 120.670 120.400 0.055 0.000 2.032 119 K HA -0.197 4.123 4.320 -0.000 0.000 0.209 119 K C 1.728 178.266 176.600 -0.103 0.000 1.048 119 K CA 1.672 57.939 56.287 -0.033 0.000 0.927 119 K CB -0.333 32.195 32.500 0.047 0.000 0.712 119 K HN 0.224 nan 8.250 nan 0.000 0.441 120 N N 0.937 119.614 118.700 -0.039 0.000 2.149 120 N HA -0.171 4.568 4.740 -0.000 0.000 0.188 120 N C 1.698 177.145 175.510 -0.106 0.000 1.019 120 N CA 0.903 53.931 53.050 -0.037 0.000 0.857 120 N CB -0.246 38.258 38.487 0.029 0.000 0.997 120 N HN 0.083 nan 8.380 nan 0.000 0.426 121 L N 1.065 122.168 121.223 -0.201 0.000 2.056 121 L HA -0.027 4.312 4.340 -0.000 0.000 0.207 121 L C 1.873 178.527 176.870 -0.360 0.000 1.078 121 L CA 1.251 55.929 54.840 -0.271 0.000 0.749 121 L CB -0.453 41.345 42.059 -0.435 0.000 0.901 121 L HN -0.006 nan 8.230 nan 0.000 0.433 122 I N -0.032 120.229 120.570 -0.514 0.000 2.142 122 I HA -0.255 3.915 4.170 -0.000 0.000 0.240 122 I C 2.158 177.948 176.117 -0.545 0.000 1.078 122 I CA 1.351 62.290 61.300 -0.601 0.000 1.343 122 I CB -1.528 36.142 38.000 -0.550 0.000 1.046 122 I HN 0.298 nan 8.210 nan 0.000 0.405 123 D N 0.407 120.630 120.400 -0.295 0.000 2.144 123 D HA -0.143 4.497 4.640 -0.000 0.000 0.199 123 D C 2.273 178.538 176.300 -0.057 0.000 0.984 123 D CA 1.971 55.887 54.000 -0.140 0.000 0.834 123 D CB -0.238 40.525 40.800 -0.061 0.000 0.955 123 D HN 0.411 nan 8.370 nan 0.000 0.465 124 T N -1.640 112.894 114.554 -0.034 0.000 3.014 124 T HA 0.203 4.553 4.350 -0.000 0.000 0.263 124 T C 1.987 176.783 174.700 0.159 0.000 1.078 124 T CA 0.959 63.116 62.100 0.094 0.000 1.135 124 T CB 0.040 68.967 68.868 0.098 0.000 0.895 124 T HN 0.028 nan 8.240 nan 0.000 0.480 125 A N 1.741 124.575 122.820 0.023 0.000 1.858 125 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 125 A C 2.286 179.962 177.584 0.152 0.000 1.190 125 A CA 1.726 53.796 52.037 0.055 0.000 0.617 125 A CB -1.228 17.748 19.000 -0.039 0.000 0.827 125 A HN 0.620 nan 8.150 nan 0.000 0.443 126 H N -0.094 118.981 119.070 0.007 0.000 2.387 126 H HA 0.002 4.557 4.556 -0.000 0.000 0.299 126 H C 2.370 177.683 175.328 -0.026 0.000 1.099 126 H CA 1.066 57.106 56.048 -0.014 0.000 1.315 126 H CB -0.704 29.042 29.762 -0.026 0.000 1.380 126 H HN 0.499 nan 8.280 nan 0.000 0.513 127 A N 0.292 123.170 122.820 0.096 0.000 2.067 127 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 127 A C 1.320 178.773 177.584 -0.218 0.000 1.158 127 A CA 1.075 53.076 52.037 -0.060 0.000 0.661 127 A CB -0.319 18.621 19.000 -0.099 0.000 0.801 127 A HN 0.476 nan 8.150 nan 0.000 0.452 128 H N -0.411 118.670 119.070 0.018 0.000 2.505 128 H HA 0.107 4.663 4.556 -0.001 0.000 0.286 128 H C -0.126 175.197 175.328 -0.009 0.000 1.072 128 H CA -0.040 56.009 56.048 0.002 0.000 1.141 128 H CB 0.133 29.896 29.762 0.002 0.000 1.550 128 H HN 0.449 nan 8.280 nan 0.000 0.547 129 N N 0.868 119.597 118.700 0.049 0.000 2.735 129 N HA -0.187 4.552 4.740 -0.000 0.000 0.248 129 N C -0.402 175.110 175.510 0.004 0.000 1.083 129 N CA 0.661 53.711 53.050 -0.001 0.000 0.703 129 N CB -1.526 36.938 38.487 -0.038 0.000 1.005 129 N HN 0.465 nan 8.380 nan 0.000 0.550 130 I N 0.614 121.223 120.570 0.065 0.000 2.378 130 I HA 0.197 4.367 4.170 -0.000 0.000 0.291 130 I C 0.658 176.847 176.117 0.121 0.000 0.992 130 I CA -0.622 60.714 61.300 0.059 0.000 1.154 130 I CB 1.551 39.591 38.000 0.066 0.000 1.315 130 I HN -0.188 nan 8.210 nan 0.000 0.448 131 K N 4.367 124.810 120.400 0.072 0.000 2.126 131 K HA 0.557 4.877 4.320 -0.000 0.000 0.257 131 K C -0.986 175.755 176.600 0.234 0.000 1.007 131 K CA -0.537 55.837 56.287 0.144 0.000 0.928 131 K CB 1.578 34.066 32.500 -0.021 0.000 1.013 131 K HN 0.267 nan 8.250 nan 0.000 0.473 132 V N 3.949 124.028 119.914 0.274 0.000 2.443 132 V HA 0.343 4.463 4.120 -0.000 0.000 0.293 132 V C -0.417 175.839 176.094 0.270 0.000 1.021 132 V CA -0.719 61.703 62.300 0.203 0.000 0.848 132 V CB 1.121 32.962 31.823 0.030 0.000 0.998 132 V HN 0.593 nan 8.190 nan 0.000 0.424 133 I N 6.168 126.916 120.570 0.297 0.000 2.359 133 I HA 0.548 4.718 4.170 -0.000 0.000 0.294 133 I C -0.126 176.135 176.117 0.240 0.000 0.987 133 I CA -0.520 60.923 61.300 0.239 0.000 1.225 133 I CB 1.652 39.783 38.000 0.218 0.000 1.366 133 I HN 0.607 nan 8.210 nan 0.000 0.466 134 I N 1.504 122.173 120.570 0.164 0.000 2.562 134 I HA 0.557 4.726 4.170 -0.000 0.000 0.301 134 I C -0.610 175.587 176.117 0.133 0.000 1.003 134 I CA -0.920 60.482 61.300 0.170 0.000 1.127 134 I CB 1.350 39.403 38.000 0.087 0.000 1.304 134 I HN 0.293 nan 8.210 nan 0.000 0.446 135 D N 3.662 124.181 120.400 0.199 0.000 2.382 135 D HA 0.331 4.971 4.640 -0.000 0.000 0.240 135 D C -1.242 175.196 176.300 0.230 0.000 1.146 135 D CA 0.780 54.902 54.000 0.204 0.000 0.897 135 D CB 1.158 42.087 40.800 0.214 0.000 1.197 135 D HN 0.529 nan 8.370 nan 0.000 0.432 136 F N 0.215 120.205 119.950 0.067 0.000 2.630 136 F HA 0.448 4.975 4.527 -0.001 0.000 0.325 136 F C -1.167 174.724 175.800 0.151 0.000 1.184 136 F CA -0.638 57.428 58.000 0.110 0.000 1.011 136 F CB 1.405 40.476 39.000 0.118 0.000 1.268 136 F HN 0.299 nan 8.300 nan 0.000 0.480 137 A N 7.294 130.040 122.820 -0.122 0.000 3.064 137 A HA 0.466 4.786 4.320 -0.000 0.000 0.339 137 A C -2.396 175.075 177.584 -0.188 0.000 1.078 137 A CA -1.141 50.858 52.037 -0.064 0.000 0.869 137 A CB -0.211 18.809 19.000 0.033 0.000 1.067 137 A HN 0.455 nan 8.150 nan 0.000 0.480 138 P HA -0.027 nan 4.420 nan 0.000 0.249 138 P C 0.665 177.885 177.300 -0.133 0.000 1.229 138 P CA 0.469 63.396 63.100 -0.289 0.000 0.788 138 P CB 0.199 31.768 31.700 -0.218 0.000 1.072 139 N N 0.852 119.487 118.700 -0.107 0.000 2.270 139 N HA -0.106 4.634 4.740 -0.000 0.000 0.181 139 N C 0.724 176.251 175.510 0.028 0.000 1.016 139 N CA 0.681 53.748 53.050 0.028 0.000 0.870 139 N CB -0.073 38.479 38.487 0.109 0.000 0.979 139 N HN 0.311 nan 8.380 nan 0.000 0.431 140 H N -4.762 114.369 119.070 0.101 0.000 2.981 140 H HA 0.268 4.824 4.556 -0.001 0.000 0.327 140 H C -0.023 175.446 175.328 0.235 0.000 1.342 140 H CA -0.140 55.981 56.048 0.121 0.000 1.123 140 H CB 0.783 30.596 29.762 0.084 0.000 1.851 140 H HN 0.034 nan 8.280 nan 0.000 0.531 141 T N -0.646 114.133 114.554 0.374 0.000 3.523 141 T HA 0.310 4.659 4.350 -0.000 0.000 0.216 141 T C 0.727 175.629 174.700 0.336 0.000 0.922 141 T CA 0.879 63.185 62.100 0.343 0.000 1.558 141 T CB -0.543 68.520 68.868 0.325 0.000 1.424 141 T HN 0.836 nan 8.240 nan 0.000 0.452 142 S N 0.600 116.355 115.700 0.093 0.000 2.671 142 S HA 0.655 5.124 4.470 -0.000 0.000 0.277 142 S C -3.356 171.043 174.600 -0.334 0.000 1.165 142 S CA -1.603 56.516 58.200 -0.134 0.000 0.822 142 S CB 1.029 64.157 63.200 -0.120 0.000 1.150 142 S HN 0.229 nan 8.310 nan 0.000 0.479 143 P HA 0.433 nan 4.420 nan 0.000 0.262 143 P C -0.975 176.224 177.300 -0.169 0.000 1.182 143 P CA 0.480 63.401 63.100 -0.298 0.000 0.761 143 P CB 0.367 31.865 31.700 -0.336 0.000 0.795 144 A N 2.374 125.169 122.820 -0.041 0.000 2.594 144 A HA 0.684 5.003 4.320 -0.000 0.000 0.295 144 A C -1.045 176.574 177.584 0.058 0.000 1.071 144 A CA -0.460 51.559 52.037 -0.029 0.000 0.685 144 A CB 1.555 20.304 19.000 -0.419 0.000 1.285 144 A HN 0.322 nan 8.150 nan 0.000 0.405 145 S N 0.030 115.860 115.700 0.216 0.000 2.707 145 S HA 0.480 4.950 4.470 -0.000 0.000 0.303 145 S C 1.063 175.803 174.600 0.233 0.000 1.132 145 S CA 0.197 58.484 58.200 0.145 0.000 1.046 145 S CB 1.060 64.269 63.200 0.015 0.000 1.004 145 S HN 1.707 nan 8.310 nan 0.000 0.483 146 S N 3.361 119.246 115.700 0.308 0.000 2.402 146 S HA -0.090 4.380 4.470 -0.000 0.000 0.229 146 S C 1.115 175.733 174.600 0.031 0.000 1.021 146 S CA 0.972 59.242 58.200 0.117 0.000 0.974 146 S CB -0.388 62.754 63.200 -0.097 0.000 0.800 146 S HN 0.743 nan 8.310 nan 0.000 0.484 147 D N 1.891 122.308 120.400 0.027 0.000 2.144 147 D HA -0.002 4.638 4.640 -0.000 0.000 0.199 147 D C 0.140 176.445 176.300 0.008 0.000 0.984 147 D CA 1.205 55.204 54.000 -0.002 0.000 0.834 147 D CB -0.255 40.536 40.800 -0.014 0.000 0.955 147 D HN 0.450 nan 8.370 nan 0.000 0.465 148 D N -0.402 120.017 120.400 0.032 0.000 2.462 148 D HA 0.117 4.757 4.640 -0.000 0.000 0.249 148 D C -1.898 174.459 176.300 0.095 0.000 1.117 148 D CA -2.140 51.891 54.000 0.051 0.000 0.900 148 D CB 1.666 42.491 40.800 0.042 0.000 1.039 148 D HN -0.071 nan 8.370 nan 0.000 0.516 149 P HA -0.091 nan 4.420 nan 0.000 0.234 149 P C 0.857 178.190 177.300 0.054 0.000 1.167 149 P CA 0.513 63.646 63.100 0.055 0.000 0.763 149 P CB 0.226 31.940 31.700 0.024 0.000 0.835 150 S N -1.660 114.081 115.700 0.068 0.000 2.548 150 S HA 0.034 4.504 4.470 -0.000 0.000 0.215 150 S C 0.469 175.109 174.600 0.068 0.000 0.976 150 S CA -0.678 57.553 58.200 0.052 0.000 0.908 150 S CB -1.170 62.057 63.200 0.045 0.000 0.781 150 S HN 0.059 nan 8.310 nan 0.000 0.519 151 F N 3.422 123.348 119.950 -0.040 0.000 2.495 151 F HA 0.496 5.022 4.527 -0.001 0.000 0.365 151 F C 1.063 176.814 175.800 -0.081 0.000 1.090 151 F CA 0.062 58.023 58.000 -0.065 0.000 1.235 151 F CB 0.200 39.159 39.000 -0.069 0.000 1.119 151 F HN 0.494 nan 8.300 nan 0.000 0.562 152 A N 4.655 126.883 122.820 -0.987 0.000 5.395 152 A HA -0.366 3.954 4.320 -0.000 0.000 0.324 152 A C 0.948 178.311 177.584 -0.368 0.000 1.813 152 A CA 1.636 53.190 52.037 -0.805 0.000 0.714 152 A CB -1.388 16.890 19.000 -1.203 0.000 1.374 152 A HN 0.838 nan 8.150 nan 0.000 0.390 153 E N 1.025 121.062 120.200 -0.272 0.000 2.685 153 E HA 0.238 4.588 4.350 -0.000 0.000 0.208 153 E C 0.357 176.913 176.600 -0.075 0.000 0.996 153 E CA 0.362 56.704 56.400 -0.097 0.000 1.054 153 E CB -0.051 29.649 29.700 0.001 0.000 1.075 153 E HN 0.666 nan 8.360 nan 0.000 0.460 154 N N 0.813 119.441 118.700 -0.120 0.000 2.708 154 N HA -0.245 4.495 4.740 -0.000 0.000 0.249 154 N C 0.696 176.143 175.510 -0.106 0.000 1.097 154 N CA 0.428 53.443 53.050 -0.059 0.000 0.710 154 N CB -0.806 37.680 38.487 -0.002 0.000 1.032 154 N HN 0.564 nan 8.380 nan 0.000 0.551 155 G N 0.070 108.773 108.800 -0.161 0.000 2.203 155 G HA2 -0.361 3.598 3.960 -0.000 0.000 0.263 155 G HA3 -0.361 3.598 3.960 -0.000 0.000 0.263 155 G C 0.215 175.099 174.900 -0.026 0.000 1.012 155 G CA 0.809 45.800 45.100 -0.183 0.000 0.749 155 G HN 0.652 nan 8.290 nan 0.000 0.512 156 R N -1.073 119.455 120.500 0.046 0.000 2.623 156 R HA 0.404 4.744 4.340 -0.000 0.000 0.271 156 R C 0.103 176.498 176.300 0.158 0.000 1.043 156 R CA -0.256 55.895 56.100 0.085 0.000 1.083 156 R CB 0.597 30.898 30.300 0.002 0.000 0.974 156 R HN 0.268 nan 8.270 nan 0.000 0.436 157 L N 3.579 124.840 121.223 0.063 0.000 2.333 157 L HA 0.393 4.733 4.340 -0.000 0.000 0.280 157 L C -1.523 175.257 176.870 -0.151 0.000 1.004 157 L CA -0.439 54.450 54.840 0.082 0.000 0.820 157 L CB 1.066 43.146 42.059 0.034 0.000 1.247 157 L HN 0.435 nan 8.230 nan 0.000 0.416 158 Y N 2.080 122.418 120.300 0.063 0.000 2.549 158 Y HA 0.513 5.063 4.550 -0.001 0.000 0.339 158 Y C -0.467 175.492 175.900 0.099 0.000 1.053 158 Y CA -0.718 57.419 58.100 0.062 0.000 1.105 158 Y CB 1.843 40.364 38.460 0.102 0.000 1.258 158 Y HN 0.540 nan 8.280 nan 0.000 0.478 159 D N 2.190 122.753 120.400 0.271 0.000 2.438 159 D HA 0.137 4.776 4.640 -0.000 0.000 0.257 159 D C -0.503 175.974 176.300 0.296 0.000 1.148 159 D CA -0.331 53.879 54.000 0.350 0.000 0.902 159 D CB -0.072 40.854 40.800 0.210 0.000 1.062 159 D HN 0.569 nan 8.370 nan 0.000 0.518 160 N N 3.243 122.122 118.700 0.297 0.000 2.725 160 N HA -0.229 4.511 4.740 -0.000 0.000 0.251 160 N C 0.956 176.561 175.510 0.159 0.000 1.031 160 N CA 1.825 54.990 53.050 0.191 0.000 0.720 160 N CB -1.106 37.468 38.487 0.145 0.000 0.930 160 N HN 0.876 nan 8.380 nan 0.000 0.543 161 G N -1.347 107.564 108.800 0.185 0.000 2.254 161 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.225 161 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.225 161 G C -0.010 175.051 174.900 0.268 0.000 1.003 161 G CA 0.258 45.451 45.100 0.155 0.000 0.622 161 G HN 0.756 nan 8.290 nan 0.000 0.507 162 N N 0.965 119.815 118.700 0.249 0.000 2.419 162 N HA 0.497 5.236 4.740 -0.000 0.000 0.264 162 N C 0.303 175.904 175.510 0.151 0.000 1.031 162 N CA -0.487 52.678 53.050 0.192 0.000 0.951 162 N CB 0.579 39.136 38.487 0.115 0.000 1.101 162 N HN 0.300 nan 8.380 nan 0.000 0.488 163 L N 5.276 126.523 121.223 0.041 0.000 2.477 163 L HA 0.059 4.399 4.340 -0.000 0.000 0.272 163 L C 0.962 177.712 176.870 -0.199 0.000 1.157 163 L CA -0.009 54.651 54.840 -0.300 0.000 0.889 163 L CB 0.471 42.344 42.059 -0.309 0.000 1.158 163 L HN 0.695 nan 8.230 nan 0.000 0.473 164 L N 4.532 125.603 121.223 -0.253 0.000 2.200 164 L HA 0.309 4.649 4.340 -0.000 0.000 0.200 164 L C 0.935 177.708 176.870 -0.161 0.000 1.072 164 L CA 0.624 55.349 54.840 -0.192 0.000 0.787 164 L CB -0.132 41.772 42.059 -0.258 0.000 0.957 164 L HN 0.764 nan 8.230 nan 0.000 0.459 165 G N -1.386 107.323 108.800 -0.152 0.000 2.368 165 G HA2 0.455 4.415 3.960 -0.000 0.000 0.293 165 G HA3 0.455 4.415 3.960 -0.000 0.000 0.293 165 G C -1.530 173.436 174.900 0.110 0.000 1.467 165 G CA -0.063 45.023 45.100 -0.023 0.000 0.804 165 G HN 0.162 nan 8.290 nan 0.000 0.535 166 G N -1.779 107.113 108.800 0.152 0.000 2.685 166 G HA2 0.500 4.460 3.960 -0.000 0.000 0.298 166 G HA3 0.500 4.460 3.960 -0.000 0.000 0.298 166 G C 0.087 175.053 174.900 0.109 0.000 1.277 166 G CA -0.385 44.785 45.100 0.115 0.000 0.986 166 G HN 0.596 nan 8.290 nan 0.000 0.487 167 Y N 0.213 120.328 120.300 -0.309 0.000 2.263 167 Y HA 0.123 4.672 4.550 -0.000 0.000 0.292 167 Y C 1.870 177.722 175.900 -0.080 0.000 1.130 167 Y CA 1.167 59.042 58.100 -0.374 0.000 1.179 167 Y CB 0.065 38.230 38.460 -0.492 0.000 0.998 167 Y HN 0.330 nan 8.280 nan 0.000 0.532 168 T N 1.446 115.979 114.554 -0.035 0.000 2.897 168 T HA 0.114 4.463 4.350 -0.000 0.000 0.294 168 T C -0.027 174.620 174.700 -0.088 0.000 1.004 168 T CA -0.073 61.976 62.100 -0.085 0.000 1.106 168 T CB 0.393 69.245 68.868 -0.025 0.000 0.949 168 T HN 0.379 nan 8.240 nan 0.000 0.520 169 N N 1.314 119.934 118.700 -0.133 0.000 2.756 169 N HA -0.153 4.587 4.740 -0.000 0.000 0.248 169 N C -1.073 174.385 175.510 -0.087 0.000 1.062 169 N CA 0.265 53.250 53.050 -0.108 0.000 0.696 169 N CB -0.537 37.911 38.487 -0.066 0.000 0.946 169 N HN 0.599 nan 8.380 nan 0.000 0.548 170 D N -0.338 119.986 120.400 -0.128 0.000 2.558 170 D HA 0.157 4.796 4.640 -0.000 0.000 0.221 170 D C 1.374 177.622 176.300 -0.086 0.000 1.143 170 D CA 0.246 54.224 54.000 -0.036 0.000 1.010 170 D CB 0.145 41.012 40.800 0.112 0.000 1.068 170 D HN 0.376 nan 8.370 nan 0.000 0.511 171 T N -0.352 114.160 114.554 -0.071 0.000 3.023 171 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 171 T C 1.545 176.211 174.700 -0.057 0.000 1.093 171 T CA 0.719 62.775 62.100 -0.073 0.000 1.129 171 T CB -0.071 68.760 68.868 -0.061 0.000 0.899 171 T HN 0.289 nan 8.240 nan 0.000 0.491 172 Q N 0.878 120.649 119.800 -0.047 0.000 2.378 172 Q HA 0.145 4.485 4.340 -0.000 0.000 0.205 172 Q C 0.040 176.005 176.000 -0.059 0.000 0.954 172 Q CA -0.136 55.635 55.803 -0.054 0.000 0.901 172 Q CB 0.002 28.698 28.738 -0.069 0.000 0.981 172 Q HN 0.465 nan 8.270 nan 0.000 0.483 173 N N 0.491 119.169 118.700 -0.037 0.000 2.708 173 N HA -0.196 4.543 4.740 -0.000 0.000 0.255 173 N C 0.124 175.567 175.510 -0.111 0.000 1.046 173 N CA 0.322 53.363 53.050 -0.016 0.000 0.715 173 N CB -0.967 37.506 38.487 -0.023 0.000 0.895 173 N HN 0.341 nan 8.380 nan 0.000 0.545 174 L N -1.512 119.594 121.223 -0.195 0.000 2.291 174 L HA 0.070 4.410 4.340 -0.000 0.000 0.214 174 L C 0.649 177.054 176.870 -0.776 0.000 1.120 174 L CA 1.091 55.614 54.840 -0.529 0.000 0.799 174 L CB -0.082 41.510 42.059 -0.777 0.000 0.925 174 L HN 0.120 nan 8.230 nan 0.000 0.446 175 F N -2.548 117.302 119.950 -0.167 0.000 2.598 175 F HA 0.380 4.906 4.527 -0.001 0.000 0.327 175 F C 0.323 175.863 175.800 -0.433 0.000 1.057 175 F CA -1.007 56.819 58.000 -0.289 0.000 0.957 175 F CB 0.831 39.759 39.000 -0.119 0.000 1.278 175 F HN -0.223 nan 8.300 nan 0.000 0.484 176 H N -0.858 118.147 119.070 -0.108 0.000 2.548 176 H HA 0.309 4.865 4.556 -0.000 0.000 0.331 176 H C -1.021 173.942 175.328 -0.608 0.000 1.093 176 H CA -0.266 55.629 56.048 -0.254 0.000 1.367 176 H CB 0.563 30.354 29.762 0.048 0.000 1.455 176 H HN 0.519 nan 8.280 nan 0.000 0.519 177 H N 3.207 122.030 119.070 -0.412 0.000 2.386 177 H HA 0.122 4.678 4.556 -0.000 0.000 0.232 177 H C -0.764 174.279 175.328 -0.475 0.000 1.416 177 H CA -0.084 55.743 56.048 -0.368 0.000 1.285 177 H CB 0.035 29.556 29.762 -0.401 0.000 1.625 177 H HN 0.677 nan 8.280 nan 0.000 0.521 178 Y N -0.025 120.308 120.300 0.056 0.000 2.557 178 Y HA 0.380 4.930 4.550 -0.000 0.000 0.247 178 Y C 1.519 177.405 175.900 -0.024 0.000 1.164 178 Y CA 0.198 58.292 58.100 -0.010 0.000 1.218 178 Y CB 0.824 39.248 38.460 -0.060 0.000 1.210 178 Y HN 0.647 nan 8.280 nan 0.000 0.529 179 G N -0.032 108.824 108.800 0.093 0.000 2.627 179 G HA2 0.097 4.056 3.960 -0.000 0.000 0.214 179 G HA3 0.097 4.056 3.960 -0.000 0.000 0.214 179 G C -0.011 174.887 174.900 -0.004 0.000 1.331 179 G CA -0.658 44.464 45.100 0.037 0.000 0.891 179 G HN 0.582 nan 8.290 nan 0.000 0.539 180 G N -1.126 107.633 108.800 -0.067 0.000 2.417 180 G HA2 0.709 4.669 3.960 -0.000 0.000 0.334 180 G HA3 0.709 4.669 3.960 -0.000 0.000 0.334 180 G C 0.099 174.859 174.900 -0.233 0.000 1.150 180 G CA 0.922 45.930 45.100 -0.153 0.000 0.923 180 G HN 1.310 nan 8.290 nan 0.000 0.485 181 T N -0.683 113.634 114.554 -0.395 0.000 2.913 181 T HA 0.259 4.609 4.350 -0.000 0.000 0.297 181 T C 0.827 175.144 174.700 -0.637 0.000 1.029 181 T CA 0.011 61.793 62.100 -0.530 0.000 1.104 181 T CB 0.820 69.255 68.868 -0.722 0.000 0.964 181 T HN 0.583 nan 8.240 nan 0.000 0.532 182 D N 2.643 122.785 120.400 -0.430 0.000 2.363 182 D HA 0.067 4.707 4.640 -0.000 0.000 0.214 182 D C 0.655 176.889 176.300 -0.109 0.000 1.093 182 D CA -0.369 53.478 54.000 -0.255 0.000 0.837 182 D CB -0.775 39.961 40.800 -0.107 0.000 0.948 182 D HN 0.679 nan 8.370 nan 0.000 0.507 183 F N 0.380 120.271 119.950 -0.098 0.000 3.048 183 F HA -0.318 4.208 4.527 -0.000 0.000 0.287 183 F C 1.717 177.473 175.800 -0.073 0.000 0.796 183 F CA 0.661 58.601 58.000 -0.100 0.000 1.111 183 F CB -2.410 36.535 39.000 -0.092 0.000 1.320 183 F HN 0.167 nan 8.300 nan 0.000 0.430 184 S N -2.828 112.898 115.700 0.042 0.000 2.481 184 S HA 0.139 4.609 4.470 -0.000 0.000 0.231 184 S C 0.767 175.375 174.600 0.014 0.000 0.996 184 S CA 1.181 59.398 58.200 0.028 0.000 0.942 184 S CB 0.426 63.621 63.200 -0.008 0.000 0.768 184 S HN 0.334 nan 8.310 nan 0.000 0.520 185 T N 0.401 114.947 114.554 -0.013 0.000 2.923 185 T HA 0.501 4.851 4.350 -0.000 0.000 0.311 185 T C 0.800 175.466 174.700 -0.057 0.000 1.183 185 T CA -0.717 61.362 62.100 -0.034 0.000 1.020 185 T CB 1.627 70.446 68.868 -0.082 0.000 1.165 185 T HN 0.042 nan 8.240 nan 0.000 0.482 186 I N 1.130 121.680 120.570 -0.033 0.000 2.179 186 I HA -0.141 4.028 4.170 -0.000 0.000 0.242 186 I C 2.643 178.610 176.117 -0.250 0.000 1.088 186 I CA 1.515 62.780 61.300 -0.058 0.000 1.357 186 I CB -0.082 37.989 38.000 0.119 0.000 1.051 186 I HN 0.821 nan 8.210 nan 0.000 0.409 187 E N 1.346 121.272 120.200 -0.457 0.000 2.070 187 E HA -0.314 4.036 4.350 -0.000 0.000 0.197 187 E C 2.062 178.470 176.600 -0.319 0.000 1.004 187 E CA 1.588 57.560 56.400 -0.713 0.000 0.805 187 E CB -0.187 28.940 29.700 -0.955 0.000 0.744 187 E HN 0.405 nan 8.360 nan 0.000 0.451 188 N N 0.085 118.642 118.700 -0.237 0.000 2.104 188 N HA -0.136 4.604 4.740 -0.000 0.000 0.190 188 N C 1.914 177.298 175.510 -0.211 0.000 1.024 188 N CA 1.599 54.538 53.050 -0.184 0.000 0.853 188 N CB -0.374 38.020 38.487 -0.156 0.000 1.008 188 N HN 0.262 nan 8.380 nan 0.000 0.424 189 G N 0.301 108.977 108.800 -0.207 0.000 2.534 189 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.217 189 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.217 189 G C 1.704 176.456 174.900 -0.246 0.000 1.128 189 G CA 0.089 45.065 45.100 -0.207 0.000 0.784 189 G HN 0.319 nan 8.290 nan 0.000 0.542 190 I N -1.323 119.045 120.570 -0.336 0.000 2.429 190 I HA 0.049 4.218 4.170 -0.000 0.000 0.247 190 I C 1.791 177.568 176.117 -0.568 0.000 1.099 190 I CA 0.685 61.683 61.300 -0.504 0.000 1.422 190 I CB 0.123 37.673 38.000 -0.750 0.000 1.112 190 I HN 0.097 nan 8.210 nan 0.000 0.430 191 Y N 0.770 120.946 120.300 -0.206 0.000 2.458 191 Y HA 0.240 4.790 4.550 -0.001 0.000 0.254 191 Y C 0.819 176.627 175.900 -0.154 0.000 1.120 191 Y CA -0.177 57.726 58.100 -0.327 0.000 1.282 191 Y CB 0.053 38.235 38.460 -0.463 0.000 1.109 191 Y HN -0.117 nan 8.280 nan 0.000 0.526 192 K N 0.982 121.359 120.400 -0.038 0.000 2.095 192 K HA 0.227 4.547 4.320 -0.000 0.000 0.252 192 K C -0.545 176.006 176.600 -0.082 0.000 0.977 192 K CA -0.992 55.284 56.287 -0.020 0.000 0.900 192 K CB 0.694 33.129 32.500 -0.108 0.000 1.060 192 K HN -0.054 nan 8.250 nan 0.000 0.449 193 N N 1.490 120.143 118.700 -0.078 0.000 2.492 193 N HA 0.052 4.792 4.740 -0.000 0.000 0.260 193 N C -0.339 174.990 175.510 -0.302 0.000 1.215 193 N CA 0.086 53.053 53.050 -0.139 0.000 0.923 193 N CB 0.260 38.673 38.487 -0.124 0.000 1.092 193 N HN 0.319 nan 8.380 nan 0.000 0.448 194 L N 4.376 125.384 121.223 -0.358 0.000 2.325 194 L HA 0.122 4.462 4.340 -0.000 0.000 0.284 194 L C 0.281 176.743 176.870 -0.682 0.000 1.089 194 L CA -0.234 54.190 54.840 -0.693 0.000 0.836 194 L CB -0.500 41.164 42.059 -0.657 0.000 1.184 194 L HN 0.569 nan 8.230 nan 0.000 0.444 195 Y N 1.653 121.881 120.300 -0.120 0.000 2.819 195 Y HA -0.444 4.106 4.550 -0.001 0.000 0.471 195 Y C 1.347 177.175 175.900 -0.119 0.000 1.144 195 Y CA 1.348 59.387 58.100 -0.101 0.000 2.720 195 Y CB -1.175 37.238 38.460 -0.079 0.000 1.169 195 Y HN 0.826 nan 8.280 nan 0.000 0.619 196 D N -0.711 119.728 120.400 0.065 0.000 2.527 196 D HA 0.270 4.910 4.640 -0.000 0.000 0.224 196 D C -0.304 175.914 176.300 -0.136 0.000 1.217 196 D CA -0.040 53.936 54.000 -0.041 0.000 0.819 196 D CB -0.114 40.702 40.800 0.026 0.000 1.061 196 D HN 0.183 nan 8.370 nan 0.000 0.515 197 L N 1.937 123.077 121.223 -0.139 0.000 2.462 197 L HA 0.417 4.756 4.340 -0.000 0.000 0.272 197 L C 0.654 177.372 176.870 -0.254 0.000 1.166 197 L CA -0.824 53.893 54.840 -0.205 0.000 0.880 197 L CB 0.225 42.112 42.059 -0.286 0.000 1.142 197 L HN 0.156 nan 8.230 nan 0.000 0.473 198 A N 3.463 126.071 122.820 -0.353 0.000 2.476 198 A HA 0.088 4.408 4.320 -0.000 0.000 0.275 198 A C 0.153 177.722 177.584 -0.026 0.000 1.133 198 A CA -0.356 51.369 52.037 -0.520 0.000 0.797 198 A CB -0.575 17.923 19.000 -0.837 0.000 1.081 198 A HN 0.711 nan 8.150 nan 0.000 0.510 199 D N 2.551 122.968 120.400 0.028 0.000 2.358 199 D HA 0.310 4.950 4.640 -0.000 0.000 0.258 199 D C 0.149 176.488 176.300 0.065 0.000 1.223 199 D CA 0.364 54.431 54.000 0.111 0.000 0.886 199 D CB 0.284 41.173 40.800 0.149 0.000 1.120 199 D HN 0.480 nan 8.370 nan 0.000 0.482 200 L N 3.341 124.493 121.223 -0.118 0.000 2.456 200 L HA 0.113 4.453 4.340 -0.000 0.000 0.272 200 L C 0.731 177.055 176.870 -0.910 0.000 1.189 200 L CA -0.236 54.304 54.840 -0.499 0.000 0.846 200 L CB 0.378 42.088 42.059 -0.582 0.000 1.111 200 L HN 0.391 nan 8.230 nan 0.000 0.475 201 N N 0.821 118.971 118.700 -0.917 0.000 2.558 201 N HA 0.122 4.862 4.740 -0.000 0.000 0.233 201 N C 0.502 175.648 175.510 -0.606 0.000 1.038 201 N CA -0.200 52.341 53.050 -0.848 0.000 0.934 201 N CB 0.371 38.529 38.487 -0.549 0.000 1.175 201 N HN 0.423 nan 8.380 nan 0.000 0.512 202 H N 1.127 119.967 119.070 -0.384 0.000 2.546 202 H HA 0.009 4.564 4.556 -0.000 0.000 0.277 202 H C 1.145 176.370 175.328 -0.171 0.000 1.004 202 H CA 0.705 56.439 56.048 -0.523 0.000 1.231 202 H CB 0.266 29.340 29.762 -1.148 0.000 1.382 202 H HN 0.533 nan 8.280 nan 0.000 0.580 203 N N 0.659 119.393 118.700 0.057 0.000 2.467 203 N HA -0.111 4.629 4.740 -0.000 0.000 0.184 203 N C 0.076 175.618 175.510 0.054 0.000 1.106 203 N CA -0.040 53.083 53.050 0.121 0.000 0.892 203 N CB 0.104 38.691 38.487 0.167 0.000 0.969 203 N HN 0.173 nan 8.380 nan 0.000 0.454 204 N N 0.131 118.813 118.700 -0.030 0.000 2.458 204 N HA 0.039 4.779 4.740 -0.000 0.000 0.270 204 N C 0.154 175.663 175.510 -0.001 0.000 1.102 204 N CA 0.143 53.168 53.050 -0.041 0.000 0.967 204 N CB 1.177 39.587 38.487 -0.127 0.000 1.078 204 N HN 0.029 nan 8.380 nan 0.000 0.471 205 S N 2.120 117.840 115.700 0.034 0.000 2.400 205 S HA -0.116 4.354 4.470 -0.000 0.000 0.232 205 S C 1.749 176.385 174.600 0.060 0.000 1.025 205 S CA 1.151 59.391 58.200 0.066 0.000 0.993 205 S CB 0.055 63.292 63.200 0.061 0.000 0.808 205 S HN 0.654 nan 8.310 nan 0.000 0.478 206 S N 0.811 116.520 115.700 0.015 0.000 2.387 206 S HA -0.022 4.448 4.470 -0.000 0.000 0.226 206 S C 1.991 176.605 174.600 0.024 0.000 1.026 206 S CA 0.861 59.068 58.200 0.011 0.000 0.972 206 S CB -0.253 62.919 63.200 -0.046 0.000 0.814 206 S HN 0.344 nan 8.310 nan 0.000 0.477 207 V N 2.038 121.925 119.914 -0.044 0.000 2.307 207 V HA -0.174 3.945 4.120 -0.000 0.000 0.245 207 V C 2.237 178.397 176.094 0.110 0.000 1.045 207 V CA 2.054 64.320 62.300 -0.057 0.000 1.024 207 V CB -0.737 30.928 31.823 -0.262 0.000 0.651 207 V HN 0.459 nan 8.190 nan 0.000 0.449 208 D N 0.643 121.132 120.400 0.149 0.000 2.103 208 D HA -0.195 4.445 4.640 -0.000 0.000 0.190 208 D C 2.060 178.557 176.300 0.328 0.000 0.997 208 D CA 2.219 56.432 54.000 0.355 0.000 0.833 208 D CB -0.151 40.862 40.800 0.354 0.000 0.961 208 D HN 0.333 nan 8.370 nan 0.000 0.447 209 V N -1.193 118.855 119.914 0.223 0.000 2.667 209 V HA -0.091 4.029 4.120 -0.000 0.000 0.252 209 V C 2.188 178.399 176.094 0.194 0.000 1.065 209 V CA 1.443 63.852 62.300 0.181 0.000 1.083 209 V CB -1.260 30.636 31.823 0.123 0.000 0.692 209 V HN 0.366 nan 8.190 nan 0.000 0.468 210 Y N 0.919 121.275 120.300 0.092 0.000 2.097 210 Y HA -0.173 4.377 4.550 -0.000 0.000 0.282 210 Y C 2.243 178.223 175.900 0.132 0.000 1.152 210 Y CA 2.250 60.402 58.100 0.086 0.000 1.136 210 Y CB -0.416 38.066 38.460 0.038 0.000 0.975 210 Y HN 0.250 nan 8.280 nan 0.000 0.498 211 L N 0.840 122.139 121.223 0.126 0.000 2.046 211 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 211 L C 2.251 179.300 176.870 0.297 0.000 1.077 211 L CA 1.793 56.713 54.840 0.134 0.000 0.747 211 L CB -1.056 41.183 42.059 0.300 0.000 0.896 211 L HN 0.240 nan 8.230 nan 0.000 0.432 212 K N -0.872 119.704 120.400 0.293 0.000 2.155 212 K HA -0.121 4.199 4.320 -0.000 0.000 0.203 212 K C 1.634 178.245 176.600 0.018 0.000 1.052 212 K CA 1.056 57.451 56.287 0.180 0.000 0.948 212 K CB -0.036 32.551 32.500 0.145 0.000 0.728 212 K HN 0.261 nan 8.250 nan 0.000 0.448 213 D N 0.663 121.063 120.400 -0.000 0.000 2.149 213 D HA -0.073 4.567 4.640 -0.000 0.000 0.201 213 D C 1.801 178.059 176.300 -0.069 0.000 0.972 213 D CA 0.994 54.957 54.000 -0.061 0.000 0.835 213 D CB -0.014 40.767 40.800 -0.031 0.000 0.966 213 D HN 0.166 nan 8.370 nan 0.000 0.476 214 A N 0.733 123.514 122.820 -0.065 0.000 1.898 214 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 214 A C 2.177 179.883 177.584 0.203 0.000 1.181 214 A CA 0.716 52.782 52.037 0.048 0.000 0.620 214 A CB -0.519 18.524 19.000 0.072 0.000 0.819 214 A HN 0.183 nan 8.150 nan 0.000 0.442 215 I N -0.056 120.588 120.570 0.122 0.000 2.394 215 I HA -0.168 4.002 4.170 -0.000 0.000 0.251 215 I C 2.052 178.155 176.117 -0.023 0.000 1.136 215 I CA 1.514 62.769 61.300 -0.077 0.000 1.425 215 I CB -0.264 37.560 38.000 -0.294 0.000 1.079 215 I HN 0.243 nan 8.210 nan 0.000 0.425 216 K N -0.421 119.930 120.400 -0.082 0.000 2.147 216 K HA -0.191 4.129 4.320 -0.000 0.000 0.205 216 K C 2.139 178.738 176.600 -0.002 0.000 1.049 216 K CA 1.687 57.916 56.287 -0.097 0.000 0.936 216 K CB -0.291 31.965 32.500 -0.407 0.000 0.722 216 K HN 0.413 nan 8.250 nan 0.000 0.446 217 M N -0.338 119.218 119.600 -0.072 0.000 2.086 217 M HA -0.176 4.304 4.480 -0.000 0.000 0.261 217 M C 1.390 177.570 176.300 -0.201 0.000 1.067 217 M CA 1.804 57.001 55.300 -0.172 0.000 1.116 217 M CB -0.142 32.263 32.600 -0.324 0.000 1.348 217 M HN 0.206 nan 8.290 nan 0.000 0.407 218 W N 0.594 121.910 121.300 0.028 0.000 2.402 218 W HA -0.107 4.553 4.660 -0.000 0.000 0.286 218 W C 2.046 178.620 176.519 0.091 0.000 1.221 218 W CA 0.653 58.025 57.345 0.045 0.000 1.257 218 W CB -0.382 29.083 29.460 0.008 0.000 1.120 218 W HN 0.203 nan 8.180 nan 0.000 0.551 219 L N -0.212 121.158 121.223 0.245 0.000 2.093 219 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 219 L C 1.816 178.795 176.870 0.182 0.000 1.085 219 L CA 1.143 56.107 54.840 0.206 0.000 0.755 219 L CB -0.732 41.457 42.059 0.216 0.000 0.904 219 L HN -0.122 nan 8.230 nan 0.000 0.435 220 D N -0.154 120.348 120.400 0.169 0.000 2.219 220 D HA -0.119 4.521 4.640 -0.000 0.000 0.205 220 D C 1.939 178.298 176.300 0.097 0.000 0.970 220 D CA 0.872 54.944 54.000 0.120 0.000 0.851 220 D CB 0.049 40.907 40.800 0.096 0.000 0.943 220 D HN 0.102 nan 8.370 nan 0.000 0.488 221 L N -0.723 120.573 121.223 0.123 0.000 2.552 221 L HA 0.219 4.559 4.340 -0.000 0.000 0.227 221 L C 1.631 178.621 176.870 0.199 0.000 1.146 221 L CA 0.771 55.712 54.840 0.169 0.000 0.858 221 L CB -0.562 41.650 42.059 0.254 0.000 0.969 221 L HN 0.194 nan 8.230 nan 0.000 0.451 222 G N -0.769 108.151 108.800 0.201 0.000 2.135 222 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.183 222 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.183 222 G C 0.311 175.348 174.900 0.229 0.000 1.004 222 G CA 0.054 45.269 45.100 0.191 0.000 0.677 222 G HN 0.306 nan 8.290 nan 0.000 0.512 223 V N -2.156 117.921 119.914 0.272 0.000 3.096 223 V HA 0.551 4.670 4.120 -0.000 0.000 0.306 223 V C 0.880 177.126 176.094 0.252 0.000 1.088 223 V CA 0.700 63.161 62.300 0.269 0.000 1.129 223 V CB 1.287 33.305 31.823 0.324 0.000 1.014 223 V HN 0.127 nan 8.190 nan 0.000 0.486 224 D N 2.002 122.576 120.400 0.291 0.000 2.417 224 D HA 0.326 4.965 4.640 -0.000 0.000 0.207 224 D C 0.672 177.201 176.300 0.382 0.000 1.075 224 D CA 1.202 55.411 54.000 0.349 0.000 0.851 224 D CB 1.309 42.363 40.800 0.422 0.000 0.976 224 D HN 0.938 nan 8.370 nan 0.000 0.505 225 G N 0.382 109.329 108.800 0.244 0.000 2.623 225 G HA2 0.604 4.564 3.960 -0.000 0.000 0.290 225 G HA3 0.604 4.564 3.960 -0.000 0.000 0.290 225 G C -1.732 173.169 174.900 0.001 0.000 1.437 225 G CA -0.638 44.511 45.100 0.082 0.000 0.798 225 G HN -0.007 nan 8.290 nan 0.000 0.488 226 I N 0.480 120.964 120.570 -0.144 0.000 2.569 226 I HA 0.482 4.652 4.170 -0.000 0.000 0.290 226 I C -0.483 175.309 176.117 -0.541 0.000 1.088 226 I CA -0.919 60.256 61.300 -0.209 0.000 1.047 226 I CB 2.469 40.392 38.000 -0.130 0.000 1.237 226 I HN 0.252 nan 8.210 nan 0.000 0.421 227 R N 5.762 125.899 120.500 -0.606 0.000 2.288 227 R HA 0.512 4.852 4.340 -0.000 0.000 0.326 227 R C -1.547 174.577 176.300 -0.294 0.000 0.959 227 R CA -0.514 54.991 56.100 -0.992 0.000 0.834 227 R CB 1.666 31.264 30.300 -1.171 0.000 1.157 227 R HN 0.525 nan 8.270 nan 0.000 0.470 228 V N 3.779 123.584 119.914 -0.182 0.000 2.427 228 V HA 0.325 4.445 4.120 -0.000 0.000 0.286 228 V C -0.312 175.834 176.094 0.086 0.000 1.034 228 V CA -0.684 61.661 62.300 0.075 0.000 0.893 228 V CB 1.525 33.472 31.823 0.207 0.000 0.982 228 V HN 0.798 nan 8.190 nan 0.000 0.452 229 D N 5.456 125.935 120.400 0.132 0.000 2.339 229 D HA 0.540 5.180 4.640 -0.000 0.000 0.245 229 D C 0.767 177.122 176.300 0.092 0.000 1.115 229 D CA 0.796 54.875 54.000 0.131 0.000 0.917 229 D CB 1.322 42.214 40.800 0.153 0.000 1.192 229 D HN 1.627 nan 8.370 nan 0.000 0.428 230 A N 2.102 124.961 122.820 0.065 0.000 2.687 230 A HA -0.189 4.130 4.320 -0.000 0.000 0.299 230 A C 1.569 179.142 177.584 -0.019 0.000 1.497 230 A CA 0.751 52.796 52.037 0.014 0.000 0.751 230 A CB -1.980 17.051 19.000 0.052 0.000 1.048 230 A HN 0.467 nan 8.150 nan 0.000 0.464 231 V N -0.226 119.671 119.914 -0.028 0.000 2.568 231 V HA -0.235 3.885 4.120 -0.000 0.000 0.253 231 V C 2.397 178.367 176.094 -0.207 0.000 1.072 231 V CA 2.686 64.938 62.300 -0.079 0.000 1.084 231 V CB -0.324 31.456 31.823 -0.072 0.000 0.676 231 V HN 0.786 nan 8.190 nan 0.000 0.469 232 K N -0.168 119.997 120.400 -0.393 0.000 2.432 232 K HA -0.030 4.290 4.320 -0.000 0.000 0.196 232 K C 0.904 177.364 176.600 -0.234 0.000 1.038 232 K CA 1.029 56.960 56.287 -0.594 0.000 0.986 232 K CB -0.017 31.791 32.500 -1.153 0.000 0.782 232 K HN 0.554 nan 8.250 nan 0.000 0.485 233 N N -0.263 118.341 118.700 -0.160 0.000 2.282 233 N HA 0.191 4.931 4.740 -0.000 0.000 0.240 233 N C -0.947 174.492 175.510 -0.119 0.000 1.182 233 N CA -0.147 52.814 53.050 -0.147 0.000 0.874 233 N CB 0.748 39.170 38.487 -0.110 0.000 1.126 233 N HN -0.013 nan 8.380 nan 0.000 0.516 234 M N 0.194 119.756 119.600 -0.064 0.000 2.591 234 M HA 0.455 4.934 4.480 -0.000 0.000 0.306 234 M C -2.644 173.622 176.300 -0.055 0.000 1.190 234 M CA -2.217 53.050 55.300 -0.056 0.000 0.889 234 M CB 2.335 34.934 32.600 -0.001 0.000 1.728 234 M HN -0.309 nan 8.290 nan 0.000 0.458 235 P HA 0.002 nan 4.420 nan 0.000 0.263 235 P C -0.091 177.340 177.300 0.217 0.000 1.195 235 P CA 0.091 63.162 63.100 -0.049 0.000 0.762 235 P CB 0.150 31.917 31.700 0.113 0.000 0.799 236 F N 2.370 122.434 119.950 0.190 0.000 2.171 236 F HA -0.065 4.462 4.527 -0.000 0.000 0.300 236 F C 2.461 178.371 175.800 0.183 0.000 1.090 236 F CA 1.535 59.705 58.000 0.284 0.000 1.293 236 F CB -2.091 37.112 39.000 0.339 0.000 1.013 236 F HN 0.362 nan 8.300 nan 0.000 0.486 237 G N -1.350 107.599 108.800 0.249 0.000 2.422 237 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.218 237 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.218 237 G C 1.587 176.607 174.900 0.200 0.000 1.146 237 G CA 0.604 45.816 45.100 0.187 0.000 0.769 237 G HN 0.496 nan 8.290 nan 0.000 0.547 238 W N 1.103 122.462 121.300 0.099 0.000 2.418 238 W HA 0.038 4.698 4.660 -0.001 0.000 0.292 238 W C 2.733 179.317 176.519 0.108 0.000 1.213 238 W CA 1.310 58.704 57.345 0.082 0.000 1.283 238 W CB 0.059 29.523 29.460 0.007 0.000 1.119 238 W HN 0.256 nan 8.180 nan 0.000 0.542 239 Q N 0.316 120.217 119.800 0.168 0.000 2.124 239 Q HA -0.246 4.093 4.340 -0.000 0.000 0.202 239 Q C 2.189 178.192 176.000 0.005 0.000 0.977 239 Q CA 1.787 57.638 55.803 0.080 0.000 0.850 239 Q CB -0.406 28.555 28.738 0.372 0.000 0.901 239 Q HN 0.311 nan 8.270 nan 0.000 0.429 240 K N 0.675 121.088 120.400 0.021 0.000 2.097 240 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 240 K C 2.281 178.823 176.600 -0.098 0.000 1.049 240 K CA 1.543 57.806 56.287 -0.041 0.000 0.933 240 K CB -0.060 32.436 32.500 -0.007 0.000 0.717 240 K HN 0.185 nan 8.250 nan 0.000 0.442 241 S N -0.040 115.576 115.700 -0.140 0.000 2.402 241 S HA -0.162 4.308 4.470 -0.000 0.000 0.229 241 S C 1.874 176.316 174.600 -0.263 0.000 1.021 241 S CA 0.708 58.801 58.200 -0.178 0.000 0.974 241 S CB -0.564 62.539 63.200 -0.161 0.000 0.800 241 S HN 0.438 nan 8.310 nan 0.000 0.484 242 F N 2.068 121.639 119.950 -0.631 0.000 2.146 242 F HA 0.104 4.631 4.527 -0.001 0.000 0.298 242 F C 2.226 177.841 175.800 -0.309 0.000 1.096 242 F CA 1.290 58.927 58.000 -0.605 0.000 1.275 242 F CB -0.323 38.062 39.000 -1.025 0.000 1.008 242 F HN 0.109 nan 8.300 nan 0.000 0.480 243 M N 0.539 119.991 119.600 -0.246 0.000 2.159 243 M HA -0.096 4.384 4.480 -0.000 0.000 0.263 243 M C 2.521 178.687 176.300 -0.224 0.000 1.063 243 M CA 1.532 56.682 55.300 -0.250 0.000 1.110 243 M CB -1.995 30.525 32.600 -0.133 0.000 1.374 243 M HN 0.316 nan 8.290 nan 0.000 0.411 244 A N -0.578 122.135 122.820 -0.177 0.000 1.972 244 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 244 A C 2.329 179.833 177.584 -0.133 0.000 1.169 244 A CA 2.130 54.090 52.037 -0.129 0.000 0.635 244 A CB -1.026 17.916 19.000 -0.097 0.000 0.810 244 A HN 0.470 nan 8.150 nan 0.000 0.446 245 T N 0.541 114.977 114.554 -0.197 0.000 2.737 245 T HA -0.129 4.221 4.350 -0.000 0.000 0.265 245 T C 1.862 176.459 174.700 -0.172 0.000 1.038 245 T CA 1.757 63.746 62.100 -0.186 0.000 1.144 245 T CB -0.485 68.237 68.868 -0.242 0.000 0.866 245 T HN 0.732 nan 8.240 nan 0.000 0.434 246 I N 0.076 120.480 120.570 -0.277 0.000 2.406 246 I HA 0.041 4.211 4.170 -0.000 0.000 0.249 246 I C 1.806 177.885 176.117 -0.062 0.000 1.122 246 I CA 1.477 62.672 61.300 -0.175 0.000 1.431 246 I CB -0.534 37.284 38.000 -0.303 0.000 1.087 246 I HN 0.104 nan 8.210 nan 0.000 0.424 247 N N 1.211 119.860 118.700 -0.085 0.000 2.270 247 N HA -0.089 4.651 4.740 -0.000 0.000 0.181 247 N C 1.020 176.528 175.510 -0.004 0.000 1.016 247 N CA 0.869 53.896 53.050 -0.037 0.000 0.870 247 N CB -0.204 38.254 38.487 -0.049 0.000 0.979 247 N HN 0.408 nan 8.380 nan 0.000 0.431 248 N N -0.355 118.347 118.700 0.003 0.000 2.398 248 N HA -0.049 4.691 4.740 -0.000 0.000 0.188 248 N C 0.546 176.106 175.510 0.084 0.000 1.122 248 N CA 0.350 53.417 53.050 0.028 0.000 0.866 248 N CB 0.172 38.668 38.487 0.015 0.000 0.970 248 N HN 0.452 nan 8.380 nan 0.000 0.462 249 Y N 0.541 120.805 120.300 -0.060 0.000 2.453 249 Y HA 0.275 4.824 4.550 -0.001 0.000 0.273 249 Y C -0.122 175.756 175.900 -0.036 0.000 1.130 249 Y CA 0.324 58.393 58.100 -0.050 0.000 1.271 249 Y CB 0.714 39.133 38.460 -0.068 0.000 1.253 249 Y HN -0.303 nan 8.280 nan 0.000 0.512 250 K N 2.112 122.425 120.400 -0.144 0.000 2.756 250 K HA 0.275 4.595 4.320 -0.000 0.000 0.218 250 K C -2.927 173.646 176.600 -0.045 0.000 1.057 250 K CA -2.130 54.033 56.287 -0.206 0.000 1.056 250 K CB 1.677 33.998 32.500 -0.299 0.000 1.235 250 K HN 0.062 nan 8.250 nan 0.000 0.547 251 P HA 0.007 nan 4.420 nan 0.000 0.271 251 P C -0.339 176.988 177.300 0.044 0.000 1.226 251 P CA -0.230 62.876 63.100 0.009 0.000 0.765 251 P CB 0.984 32.699 31.700 0.024 0.000 0.835 252 V N 1.475 121.421 119.914 0.055 0.000 3.040 252 V HA 0.509 4.629 4.120 -0.000 0.000 0.312 252 V C -0.339 175.836 176.094 0.134 0.000 1.115 252 V CA -1.584 60.791 62.300 0.125 0.000 0.998 252 V CB 1.767 33.662 31.823 0.119 0.000 1.042 252 V HN 0.374 nan 8.190 nan 0.000 0.433 253 F N 2.389 122.343 119.950 0.007 0.000 2.590 253 F HA 0.458 4.984 4.527 -0.001 0.000 0.389 253 F C 0.387 176.125 175.800 -0.103 0.000 1.049 253 F CA 1.120 59.060 58.000 -0.101 0.000 1.199 253 F CB 0.257 39.038 39.000 -0.365 0.000 1.058 253 F HN 0.783 nan 8.300 nan 0.000 0.556 254 T N 7.888 122.161 114.554 -0.469 0.000 2.861 254 T HA 0.583 4.932 4.350 -0.000 0.000 0.287 254 T C -1.077 173.363 174.700 -0.434 0.000 1.003 254 T CA -0.371 61.495 62.100 -0.390 0.000 0.977 254 T CB 1.191 69.939 68.868 -0.199 0.000 0.996 254 T HN 0.479 nan 8.240 nan 0.000 0.448 255 F N -0.575 119.041 119.950 -0.557 0.000 2.626 255 F HA 0.919 5.446 4.527 -0.000 0.000 0.311 255 F C -0.022 175.698 175.800 -0.133 0.000 1.088 255 F CA -1.228 56.535 58.000 -0.396 0.000 0.949 255 F CB 1.195 39.865 39.000 -0.550 0.000 1.322 255 F HN 0.752 nan 8.300 nan 0.000 0.461 256 G N 0.061 108.944 108.800 0.138 0.000 2.685 256 G HA2 0.540 4.500 3.960 -0.000 0.000 0.298 256 G HA3 0.540 4.500 3.960 -0.000 0.000 0.298 256 G C -2.130 172.924 174.900 0.257 0.000 1.277 256 G CA -0.898 44.293 45.100 0.151 0.000 0.986 256 G HN 0.911 nan 8.290 nan 0.000 0.487 257 E N -0.055 120.293 120.200 0.248 0.000 2.145 257 E HA 0.323 4.673 4.350 -0.000 0.000 0.270 257 E C -1.539 175.239 176.600 0.296 0.000 0.906 257 E CA -0.919 55.696 56.400 0.359 0.000 0.761 257 E CB 1.429 31.342 29.700 0.355 0.000 1.116 257 E HN 0.443 nan 8.360 nan 0.000 0.408 258 W N 8.087 129.465 121.300 0.130 0.000 2.521 258 W HA 0.285 4.945 4.660 -0.000 0.000 0.310 258 W C -1.840 174.614 176.519 -0.108 0.000 1.000 258 W CA -1.428 55.942 57.345 0.042 0.000 1.353 258 W CB 0.509 30.020 29.460 0.084 0.000 1.276 258 W HN 0.514 nan 8.180 nan 0.000 0.417 259 F N 6.117 125.925 119.950 -0.237 0.000 2.529 259 F HA 0.338 4.865 4.527 -0.000 0.000 0.365 259 F C -0.966 174.609 175.800 -0.375 0.000 1.102 259 F CA 0.489 58.021 58.000 -0.780 0.000 1.271 259 F CB 0.668 39.369 39.000 -0.498 0.000 1.120 259 F HN 0.140 nan 8.300 nan 0.000 0.579 260 L N 5.450 126.010 121.223 -1.106 0.000 2.385 260 L HA 0.594 4.934 4.340 -0.000 0.000 0.273 260 L C 0.100 176.620 176.870 -0.582 0.000 0.990 260 L CA -0.314 54.234 54.840 -0.486 0.000 0.821 260 L CB 1.615 43.423 42.059 -0.418 0.000 1.279 260 L HN 0.716 nan 8.230 nan 0.000 0.412 261 G N 2.278 110.970 108.800 -0.179 0.000 2.580 261 G HA2 0.442 4.402 3.960 -0.000 0.000 0.278 261 G HA3 0.442 4.402 3.960 -0.000 0.000 0.278 261 G C 0.935 175.821 174.900 -0.023 0.000 1.212 261 G CA -0.256 44.841 45.100 -0.005 0.000 0.939 261 G HN 0.493 nan 8.290 nan 0.000 0.513 262 V N 0.979 120.908 119.914 0.025 0.000 2.232 262 V HA -0.280 3.840 4.120 -0.000 0.000 0.251 262 V C 2.002 178.092 176.094 -0.007 0.000 1.048 262 V CA 2.464 64.770 62.300 0.011 0.000 1.029 262 V CB -0.682 31.153 31.823 0.020 0.000 0.658 262 V HN 0.734 nan 8.190 nan 0.000 0.464 263 N N -0.206 118.492 118.700 -0.004 0.000 2.378 263 N HA 0.128 4.868 4.740 -0.000 0.000 0.243 263 N C 0.067 175.568 175.510 -0.016 0.000 1.137 263 N CA -0.079 52.965 53.050 -0.011 0.000 0.862 263 N CB 0.112 38.595 38.487 -0.006 0.000 1.116 263 N HN 0.581 nan 8.380 nan 0.000 0.499 264 E N 1.497 121.679 120.200 -0.030 0.000 2.229 264 E HA 0.161 4.511 4.350 -0.000 0.000 0.283 264 E C -0.732 175.818 176.600 -0.083 0.000 1.030 264 E CA -0.377 55.998 56.400 -0.041 0.000 0.836 264 E CB 0.523 30.199 29.700 -0.039 0.000 1.068 264 E HN 0.051 nan 8.360 nan 0.000 0.401 265 I N 3.514 124.054 120.570 -0.050 0.000 2.436 265 I HA 0.202 4.371 4.170 -0.000 0.000 0.289 265 I C -0.286 175.821 176.117 -0.017 0.000 1.010 265 I CA -0.652 60.623 61.300 -0.041 0.000 1.098 265 I CB 1.049 39.058 38.000 0.015 0.000 1.266 265 I HN 0.368 nan 8.210 nan 0.000 0.434 266 S N 7.443 123.109 115.700 -0.056 0.000 2.519 266 S HA 0.584 5.054 4.470 -0.000 0.000 0.309 266 S C -2.036 172.625 174.600 0.100 0.000 1.100 266 S CA -1.360 56.847 58.200 0.011 0.000 1.059 266 S CB 1.923 65.108 63.200 -0.025 0.000 1.008 266 S HN 0.319 nan 8.310 nan 0.000 0.478 267 P HA -0.040 nan 4.420 nan 0.000 0.216 267 P C 0.821 178.177 177.300 0.092 0.000 1.153 267 P CA 1.063 64.244 63.100 0.135 0.000 0.848 267 P CB 0.191 31.956 31.700 0.108 0.000 0.787 268 E N -1.479 118.772 120.200 0.084 0.000 2.077 268 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 268 E C 1.987 178.374 176.600 -0.355 0.000 0.989 268 E CA 1.055 57.485 56.400 0.049 0.000 0.800 268 E CB -1.111 28.783 29.700 0.324 0.000 0.746 268 E HN 0.316 nan 8.360 nan 0.000 0.452 269 Y N 0.983 120.757 120.300 -0.876 0.000 2.081 269 Y HA -0.326 4.224 4.550 -0.001 0.000 0.280 269 Y C 2.263 177.749 175.900 -0.689 0.000 1.163 269 Y CA 2.038 59.300 58.100 -1.396 0.000 1.135 269 Y CB -0.210 37.503 38.460 -1.245 0.000 0.970 269 Y HN 0.174 nan 8.280 nan 0.000 0.498 270 H N -0.010 118.977 119.070 -0.138 0.000 2.353 270 H HA -0.185 4.371 4.556 -0.000 0.000 0.300 270 H C 2.258 177.508 175.328 -0.130 0.000 1.090 270 H CA 1.875 57.832 56.048 -0.151 0.000 1.327 270 H CB -0.445 29.251 29.762 -0.110 0.000 1.383 270 H HN 0.560 nan 8.280 nan 0.000 0.508 271 Q N -0.059 119.745 119.800 0.006 0.000 2.084 271 Q HA -0.171 4.169 4.340 -0.000 0.000 0.202 271 Q C 2.210 178.174 176.000 -0.059 0.000 0.978 271 Q CA 1.370 57.171 55.803 -0.003 0.000 0.844 271 Q CB -0.195 28.564 28.738 0.035 0.000 0.898 271 Q HN 0.334 nan 8.270 nan 0.000 0.426 272 F N 0.437 120.221 119.950 -0.277 0.000 2.102 272 F HA -0.169 4.357 4.527 -0.001 0.000 0.298 272 F C 2.101 177.789 175.800 -0.187 0.000 1.105 272 F CA 1.564 59.398 58.000 -0.278 0.000 1.239 272 F CB -0.397 38.365 39.000 -0.397 0.000 0.991 272 F HN 0.172 nan 8.300 nan 0.000 0.474 273 A N 0.138 122.901 122.820 -0.095 0.000 1.972 273 A HA -0.209 4.110 4.320 -0.000 0.000 0.219 273 A C 1.847 179.397 177.584 -0.057 0.000 1.169 273 A CA 1.985 53.986 52.037 -0.060 0.000 0.635 273 A CB -0.762 18.266 19.000 0.046 0.000 0.810 273 A HN 0.513 nan 8.150 nan 0.000 0.446 274 N N -0.591 118.083 118.700 -0.044 0.000 2.416 274 N HA 0.008 4.747 4.740 -0.000 0.000 0.177 274 N C 1.045 176.510 175.510 -0.075 0.000 1.036 274 N CA 1.167 54.204 53.050 -0.022 0.000 0.901 274 N CB 0.055 38.549 38.487 0.012 0.000 0.976 274 N HN 0.704 nan 8.380 nan 0.000 0.444 275 E N -1.109 119.002 120.200 -0.149 0.000 2.606 275 E HA 0.100 4.450 4.350 -0.000 0.000 0.224 275 E C 1.200 177.663 176.600 -0.228 0.000 0.930 275 E CA -0.013 56.300 56.400 -0.146 0.000 1.125 275 E CB 0.462 30.112 29.700 -0.083 0.000 1.123 275 E HN 0.212 nan 8.360 nan 0.000 0.522 276 S N -0.246 115.196 115.700 -0.430 0.000 2.406 276 S HA 0.049 4.518 4.470 -0.000 0.000 0.228 276 S C 1.829 176.250 174.600 -0.299 0.000 1.020 276 S CA 0.904 58.796 58.200 -0.515 0.000 0.965 276 S CB 0.124 62.611 63.200 -1.188 0.000 0.798 276 S HN 0.340 nan 8.310 nan 0.000 0.488 277 G N 1.205 109.858 108.800 -0.246 0.000 2.195 277 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.224 277 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.224 277 G C -0.048 174.764 174.900 -0.147 0.000 0.990 277 G CA 0.097 45.096 45.100 -0.168 0.000 0.639 277 G HN 0.918 nan 8.290 nan 0.000 0.514 278 M N 0.334 119.826 119.600 -0.180 0.000 2.662 278 M HA 0.842 5.322 4.480 -0.000 0.000 0.310 278 M C 0.433 176.679 176.300 -0.091 0.000 1.204 278 M CA -0.247 54.984 55.300 -0.116 0.000 0.891 278 M CB 2.073 34.652 32.600 -0.035 0.000 1.732 278 M HN 0.546 nan 8.290 nan 0.000 0.467 279 S N 1.343 116.995 115.700 -0.081 0.000 2.623 279 S HA 0.833 5.303 4.470 -0.000 0.000 0.278 279 S C -0.597 174.037 174.600 0.056 0.000 1.148 279 S CA -0.691 57.488 58.200 -0.035 0.000 1.028 279 S CB 1.025 64.190 63.200 -0.059 0.000 1.145 279 S HN 0.669 nan 8.310 nan 0.000 0.523 280 L N 0.226 121.478 121.223 0.048 0.000 2.371 280 L HA 0.512 4.851 4.340 -0.000 0.000 0.262 280 L C -0.996 175.994 176.870 0.200 0.000 1.006 280 L CA -0.912 54.018 54.840 0.150 0.000 0.818 280 L CB 1.773 43.835 42.059 0.005 0.000 1.354 280 L HN 0.633 nan 8.230 nan 0.000 0.415 281 L N 2.717 124.173 121.223 0.388 0.000 2.477 281 L HA 0.063 4.402 4.340 -0.000 0.000 0.272 281 L C 0.256 177.467 176.870 0.568 0.000 1.157 281 L CA 0.300 55.390 54.840 0.418 0.000 0.889 281 L CB -0.144 42.173 42.059 0.430 0.000 1.158 281 L HN 0.564 nan 8.230 nan 0.000 0.473 282 D N 3.801 124.452 120.400 0.419 0.000 2.541 282 D HA -0.069 4.571 4.640 -0.000 0.000 0.231 282 D C 1.204 177.729 176.300 0.374 0.000 1.163 282 D CA 0.133 54.370 54.000 0.395 0.000 1.077 282 D CB -0.064 40.796 40.800 0.100 0.000 1.110 282 D HN 0.342 nan 8.370 nan 0.000 0.499 283 F N 1.174 121.409 119.950 0.476 0.000 2.269 283 F HA -0.093 4.433 4.527 -0.001 0.000 0.301 283 F C 2.474 178.306 175.800 0.054 0.000 1.082 283 F CA 0.601 58.726 58.000 0.208 0.000 1.360 283 F CB 0.038 39.095 39.000 0.095 0.000 1.041 283 F HN 0.267 nan 8.300 nan 0.000 0.512 284 R N -0.091 120.590 120.500 0.301 0.000 2.092 284 R HA -0.193 4.146 4.340 -0.000 0.000 0.231 284 R C 2.153 178.573 176.300 0.201 0.000 1.119 284 R CA 1.468 57.680 56.100 0.187 0.000 0.970 284 R CB -0.732 29.712 30.300 0.239 0.000 0.864 284 R HN 0.305 nan 8.270 nan 0.000 0.440 285 F N 0.685 120.687 119.950 0.087 0.000 2.084 285 F HA -0.029 4.498 4.527 -0.000 0.000 0.296 285 F C 2.151 177.912 175.800 -0.066 0.000 1.111 285 F CA 1.688 59.712 58.000 0.039 0.000 1.224 285 F CB -0.525 38.481 39.000 0.010 0.000 0.991 285 F HN 0.135 nan 8.300 nan 0.000 0.471 286 A N 0.066 122.876 122.820 -0.017 0.000 1.908 286 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 286 A C 2.120 179.625 177.584 -0.132 0.000 1.181 286 A CA 1.752 53.609 52.037 -0.301 0.000 0.627 286 A CB -0.807 17.492 19.000 -1.169 0.000 0.818 286 A HN 0.540 nan 8.150 nan 0.000 0.445 287 Q N -0.664 119.095 119.800 -0.068 0.000 2.119 287 Q HA -0.148 4.192 4.340 -0.000 0.000 0.201 287 Q C 2.045 178.030 176.000 -0.026 0.000 0.972 287 Q CA 1.771 57.567 55.803 -0.011 0.000 0.847 287 Q CB -0.303 28.440 28.738 0.009 0.000 0.903 287 Q HN 0.630 nan 8.270 nan 0.000 0.433 288 K N 1.040 121.409 120.400 -0.051 0.000 2.103 288 K HA 0.036 4.356 4.320 -0.000 0.000 0.204 288 K C 1.845 178.371 176.600 -0.122 0.000 1.052 288 K CA 1.155 57.392 56.287 -0.085 0.000 0.945 288 K CB -0.405 32.044 32.500 -0.084 0.000 0.722 288 K HN 0.101 nan 8.250 nan 0.000 0.443 289 A N 0.832 123.578 122.820 -0.122 0.000 1.933 289 A HA -0.156 4.163 4.320 -0.000 0.000 0.218 289 A C 2.118 179.819 177.584 0.195 0.000 1.175 289 A CA 1.674 53.719 52.037 0.013 0.000 0.628 289 A CB -0.442 18.589 19.000 0.052 0.000 0.814 289 A HN 0.345 nan 8.150 nan 0.000 0.444 290 R N -0.678 119.916 120.500 0.157 0.000 2.092 290 R HA -0.095 4.245 4.340 -0.000 0.000 0.231 290 R C 2.440 178.742 176.300 0.003 0.000 1.119 290 R CA 1.469 57.655 56.100 0.144 0.000 0.970 290 R CB -0.282 30.066 30.300 0.080 0.000 0.864 290 R HN 0.684 nan 8.270 nan 0.000 0.440 291 Q N -0.097 119.679 119.800 -0.040 0.000 2.124 291 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 291 Q C 2.065 177.984 176.000 -0.134 0.000 0.977 291 Q CA 1.410 57.165 55.803 -0.080 0.000 0.850 291 Q CB 0.124 28.814 28.738 -0.080 0.000 0.901 291 Q HN 0.191 nan 8.270 nan 0.000 0.429 292 V N -0.681 119.097 119.914 -0.227 0.000 2.426 292 V HA -0.113 4.007 4.120 -0.000 0.000 0.242 292 V C 1.476 177.299 176.094 -0.452 0.000 1.036 292 V CA 1.441 63.486 62.300 -0.425 0.000 1.044 292 V CB -0.258 31.147 31.823 -0.697 0.000 0.688 292 V HN 0.253 nan 8.190 nan 0.000 0.462 293 F N -0.679 119.276 119.950 0.008 0.000 2.698 293 F HA 0.221 4.748 4.527 -0.000 0.000 0.295 293 F C 2.378 178.270 175.800 0.155 0.000 1.124 293 F CA 0.592 58.666 58.000 0.123 0.000 1.426 293 F CB 0.160 39.304 39.000 0.241 0.000 1.120 293 F HN -0.081 nan 8.300 nan 0.000 0.583 294 R N 0.186 120.738 120.500 0.086 0.000 2.076 294 R HA 0.034 4.373 4.340 -0.000 0.000 0.203 294 R C 0.989 177.195 176.300 -0.156 0.000 1.229 294 R CA 0.826 56.776 56.100 -0.250 0.000 1.094 294 R CB 0.057 29.875 30.300 -0.803 0.000 0.991 294 R HN 0.008 nan 8.270 nan 0.000 0.471 295 D N 0.515 120.836 120.400 -0.133 0.000 2.350 295 D HA -0.051 4.589 4.640 -0.000 0.000 0.213 295 D C -0.235 176.023 176.300 -0.069 0.000 1.031 295 D CA 0.188 54.129 54.000 -0.098 0.000 0.861 295 D CB -0.157 40.591 40.800 -0.087 0.000 0.926 295 D HN 0.368 nan 8.370 nan 0.000 0.520 296 N N 1.348 120.006 118.700 -0.070 0.000 2.705 296 N HA -0.202 4.538 4.740 -0.000 0.000 0.255 296 N C 0.100 175.574 175.510 -0.060 0.000 1.008 296 N CA 0.762 53.772 53.050 -0.067 0.000 0.742 296 N CB -0.555 37.906 38.487 -0.044 0.000 0.906 296 N HN 0.243 nan 8.380 nan 0.000 0.541 297 T N -3.542 110.973 114.554 -0.065 0.000 3.092 297 T HA 0.245 4.595 4.350 -0.000 0.000 0.258 297 T C 0.028 174.695 174.700 -0.055 0.000 1.031 297 T CA -0.204 61.866 62.100 -0.051 0.000 0.925 297 T CB 0.819 69.662 68.868 -0.043 0.000 1.036 297 T HN 0.286 nan 8.240 nan 0.000 0.544 298 D N 0.922 121.276 120.400 -0.077 0.000 2.639 298 D HA 0.395 5.034 4.640 -0.000 0.000 0.271 298 D C -1.345 174.890 176.300 -0.107 0.000 1.254 298 D CA -0.506 53.449 54.000 -0.076 0.000 0.810 298 D CB 1.973 42.725 40.800 -0.081 0.000 1.351 298 D HN 0.274 nan 8.370 nan 0.000 0.427 299 N N -0.271 118.378 118.700 -0.085 0.000 2.989 299 N HA 0.263 5.003 4.740 -0.000 0.000 0.338 299 N C 0.897 176.315 175.510 -0.154 0.000 1.369 299 N CA -0.479 52.506 53.050 -0.108 0.000 0.794 299 N CB 0.193 38.666 38.487 -0.023 0.000 1.359 299 N HN 0.188 nan 8.380 nan 0.000 0.609 300 M N -0.863 118.621 119.600 -0.194 0.000 2.279 300 M HA -0.042 4.438 4.480 -0.000 0.000 0.264 300 M C 1.188 177.337 176.300 -0.251 0.000 1.062 300 M CA 1.425 56.563 55.300 -0.270 0.000 1.099 300 M CB -1.305 31.119 32.600 -0.293 0.000 1.394 300 M HN 0.544 nan 8.290 nan 0.000 0.426 301 Y N -0.174 120.081 120.300 -0.075 0.000 2.293 301 Y HA -0.093 4.457 4.550 -0.000 0.000 0.291 301 Y C 2.546 178.411 175.900 -0.057 0.000 1.137 301 Y CA 1.098 59.165 58.100 -0.055 0.000 1.202 301 Y CB -0.699 37.731 38.460 -0.051 0.000 0.990 301 Y HN 0.317 nan 8.280 nan 0.000 0.537 302 G N -0.244 108.591 108.800 0.059 0.000 2.402 302 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.216 302 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.216 302 G C 1.568 176.442 174.900 -0.043 0.000 1.162 302 G CA 0.828 45.927 45.100 -0.002 0.000 0.777 302 G HN 0.301 nan 8.290 nan 0.000 0.539 303 L N 0.794 121.948 121.223 -0.116 0.000 2.012 303 L HA 0.010 4.349 4.340 -0.000 0.000 0.210 303 L C 2.762 179.603 176.870 -0.048 0.000 1.073 303 L CA 2.488 57.239 54.840 -0.149 0.000 0.748 303 L CB -0.406 41.475 42.059 -0.297 0.000 0.891 303 L HN 0.273 nan 8.230 nan 0.000 0.431 304 K N -0.690 119.692 120.400 -0.029 0.000 2.009 304 K HA -0.227 4.092 4.320 -0.000 0.000 0.210 304 K C 1.963 178.601 176.600 0.063 0.000 1.049 304 K CA 1.645 57.951 56.287 0.032 0.000 0.929 304 K CB -0.331 32.190 32.500 0.036 0.000 0.714 304 K HN 0.413 nan 8.250 nan 0.000 0.440 305 A N 1.556 124.414 122.820 0.064 0.000 1.972 305 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 305 A C 2.133 179.749 177.584 0.054 0.000 1.169 305 A CA 1.571 53.643 52.037 0.060 0.000 0.635 305 A CB -0.546 18.485 19.000 0.051 0.000 0.810 305 A HN 0.515 nan 8.150 nan 0.000 0.446 306 M N -0.740 118.889 119.600 0.050 0.000 2.156 306 M HA -0.051 4.429 4.480 -0.000 0.000 0.264 306 M C 1.695 178.070 176.300 0.124 0.000 1.067 306 M CA 1.641 56.986 55.300 0.076 0.000 1.131 306 M CB -0.774 31.858 32.600 0.053 0.000 1.368 306 M HN 0.284 nan 8.290 nan 0.000 0.416 307 L N 0.930 122.225 121.223 0.120 0.000 2.046 307 L HA -0.130 4.209 4.340 -0.000 0.000 0.208 307 L C 2.291 179.238 176.870 0.129 0.000 1.077 307 L CA 1.767 56.695 54.840 0.148 0.000 0.747 307 L CB -1.285 40.843 42.059 0.116 0.000 0.896 307 L HN 0.381 nan 8.230 nan 0.000 0.432 308 E N -1.133 119.129 120.200 0.102 0.000 2.072 308 E HA -0.117 4.233 4.350 -0.000 0.000 0.190 308 E C 2.144 178.787 176.600 0.071 0.000 0.982 308 E CA 0.924 57.377 56.400 0.088 0.000 0.803 308 E CB -0.322 29.426 29.700 0.080 0.000 0.755 308 E HN 0.536 nan 8.360 nan 0.000 0.453 309 G N 1.149 109.985 108.800 0.060 0.000 2.402 309 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.216 309 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.216 309 G C 1.733 176.647 174.900 0.023 0.000 1.162 309 G CA 1.056 46.171 45.100 0.025 0.000 0.777 309 G HN 0.367 nan 8.290 nan 0.000 0.539 310 S N 0.063 115.823 115.700 0.101 0.000 2.453 310 S HA 0.013 4.482 4.470 -0.000 0.000 0.231 310 S C 1.896 176.638 174.600 0.237 0.000 1.005 310 S CA 1.350 59.655 58.200 0.176 0.000 0.949 310 S CB -0.031 63.399 63.200 0.384 0.000 0.774 310 S HN 0.520 nan 8.310 nan 0.000 0.510 311 E N 0.546 120.848 120.200 0.168 0.000 2.268 311 E HA -0.056 4.294 4.350 -0.000 0.000 0.195 311 E C 1.398 178.056 176.600 0.098 0.000 0.995 311 E CA 0.961 57.448 56.400 0.145 0.000 0.836 311 E CB 0.062 29.828 29.700 0.110 0.000 0.763 311 E HN 0.508 nan 8.360 nan 0.000 0.491 312 V N 0.684 120.628 119.914 0.050 0.000 2.795 312 V HA -0.093 4.027 4.120 -0.000 0.000 0.243 312 V C 1.342 177.410 176.094 -0.043 0.000 1.069 312 V CA 1.164 63.466 62.300 0.003 0.000 1.089 312 V CB -0.037 31.777 31.823 -0.016 0.000 0.756 312 V HN 0.141 nan 8.190 nan 0.000 0.471 313 D N -0.824 119.502 120.400 -0.124 0.000 2.219 313 D HA -0.063 4.576 4.640 -0.000 0.000 0.205 313 D C 0.291 176.457 176.300 -0.224 0.000 0.970 313 D CA 1.008 54.820 54.000 -0.312 0.000 0.851 313 D CB -0.137 40.243 40.800 -0.700 0.000 0.943 313 D HN 0.426 nan 8.370 nan 0.000 0.488 314 Y N 0.028 120.350 120.300 0.038 0.000 2.341 314 Y HA 0.436 4.986 4.550 -0.001 0.000 0.340 314 Y C 1.216 177.132 175.900 0.027 0.000 0.997 314 Y CA -0.859 57.294 58.100 0.088 0.000 1.149 314 Y CB 1.507 40.032 38.460 0.109 0.000 1.171 314 Y HN -0.175 nan 8.280 nan 0.000 0.494 315 A N 2.826 125.743 122.820 0.162 0.000 1.972 315 A HA -0.144 4.175 4.320 -0.000 0.000 0.219 315 A C 0.744 178.356 177.584 0.048 0.000 1.169 315 A CA 1.201 53.277 52.037 0.064 0.000 0.635 315 A CB -0.183 18.840 19.000 0.037 0.000 0.810 315 A HN 0.763 nan 8.150 nan 0.000 0.446 316 Q N -1.062 118.803 119.800 0.108 0.000 2.788 316 Q HA 0.409 4.749 4.340 -0.000 0.000 0.261 316 Q C 0.384 176.438 176.000 0.091 0.000 1.029 316 Q CA -0.134 55.731 55.803 0.104 0.000 0.848 316 Q CB 1.244 30.085 28.738 0.172 0.000 1.185 316 Q HN 0.120 nan 8.270 nan 0.000 0.482 317 V N 1.436 121.403 119.914 0.088 0.000 2.626 317 V HA -0.205 3.914 4.120 -0.000 0.000 0.252 317 V C 0.893 176.967 176.094 -0.034 0.000 1.067 317 V CA 1.651 63.960 62.300 0.014 0.000 1.081 317 V CB 0.078 31.968 31.823 0.110 0.000 0.686 317 V HN 0.704 nan 8.190 nan 0.000 0.468 318 N N 0.435 119.167 118.700 0.055 0.000 2.571 318 N HA -0.053 4.687 4.740 -0.000 0.000 0.189 318 N C 0.916 176.442 175.510 0.027 0.000 1.154 318 N CA 0.833 53.911 53.050 0.047 0.000 0.907 318 N CB -0.119 38.461 38.487 0.155 0.000 0.977 318 N HN 0.527 nan 8.380 nan 0.000 0.449 319 D N -0.093 120.333 120.400 0.044 0.000 2.369 319 D HA 0.041 4.680 4.640 -0.000 0.000 0.211 319 D C -0.005 176.318 176.300 0.039 0.000 1.077 319 D CA 0.187 54.262 54.000 0.125 0.000 0.842 319 D CB 0.400 41.318 40.800 0.196 0.000 0.947 319 D HN 0.085 nan 8.370 nan 0.000 0.509 320 Q N 0.659 120.369 119.800 -0.150 0.000 2.288 320 Q HA 0.242 4.582 4.340 -0.000 0.000 0.254 320 Q C -0.022 175.857 176.000 -0.202 0.000 0.932 320 Q CA -0.371 55.283 55.803 -0.247 0.000 0.902 320 Q CB 2.032 30.446 28.738 -0.539 0.000 1.203 320 Q HN -0.116 nan 8.270 nan 0.000 0.415 321 V N 3.488 123.291 119.914 -0.185 0.000 2.389 321 V HA 0.212 4.332 4.120 -0.000 0.000 0.264 321 V C 0.645 176.718 176.094 -0.036 0.000 1.049 321 V CA -0.350 61.826 62.300 -0.206 0.000 0.932 321 V CB 0.560 32.072 31.823 -0.519 0.000 1.011 321 V HN 0.882 nan 8.190 nan 0.000 0.475 322 T N 2.978 117.440 114.554 -0.154 0.000 2.927 322 T HA 0.876 5.226 4.350 -0.000 0.000 0.281 322 T C -0.605 174.178 174.700 0.138 0.000 0.998 322 T CA -0.515 61.429 62.100 -0.260 0.000 1.019 322 T CB 1.700 69.920 68.868 -1.080 0.000 1.061 322 T HN 0.650 nan 8.240 nan 0.000 0.518 323 F N -1.464 118.485 119.950 -0.003 0.000 2.807 323 F HA 0.544 5.071 4.527 -0.000 0.000 0.316 323 F C -0.159 175.762 175.800 0.202 0.000 1.162 323 F CA -1.396 56.658 58.000 0.090 0.000 0.910 323 F CB 0.756 39.796 39.000 0.067 0.000 1.314 323 F HN 0.527 nan 8.300 nan 0.000 0.454 324 I N -1.815 118.882 120.570 0.213 0.000 4.288 324 I HA 0.466 4.636 4.170 -0.000 0.000 0.331 324 I C -0.979 175.341 176.117 0.337 0.000 1.322 324 I CA -0.001 61.410 61.300 0.184 0.000 1.149 324 I CB 0.601 38.643 38.000 0.070 0.000 1.112 324 I HN 0.598 nan 8.210 nan 0.000 0.403 325 D N 0.463 121.118 120.400 0.424 0.000 2.653 325 D HA 0.428 5.068 4.640 -0.000 0.000 0.258 325 D C -1.038 175.387 176.300 0.208 0.000 1.252 325 D CA -0.660 53.559 54.000 0.365 0.000 0.777 325 D CB 0.900 41.892 40.800 0.321 0.000 1.339 325 D HN 0.205 nan 8.370 nan 0.000 0.422 326 N N -2.258 116.365 118.700 -0.128 0.000 3.378 326 N HA 0.129 4.869 4.740 -0.000 0.000 0.294 326 N C 0.543 175.584 175.510 -0.782 0.000 1.544 326 N CA -0.600 52.041 53.050 -0.681 0.000 0.872 326 N CB -0.156 38.096 38.487 -0.391 0.000 1.670 326 N HN 0.568 nan 8.380 nan 0.000 0.551 327 H N -1.999 116.586 119.070 -0.809 0.000 2.567 327 H HA 0.154 4.710 4.556 -0.000 0.000 0.276 327 H C -0.648 174.657 175.328 -0.038 0.000 1.016 327 H CA 0.814 56.681 56.048 -0.302 0.000 1.186 327 H CB -0.393 29.320 29.762 -0.082 0.000 1.351 327 H HN 0.562 nan 8.280 nan 0.000 0.605 328 D N 0.057 120.265 120.400 -0.321 0.000 2.398 328 D HA 0.246 4.886 4.640 -0.000 0.000 0.210 328 D C 0.148 176.517 176.300 0.114 0.000 1.094 328 D CA 0.157 54.102 54.000 -0.092 0.000 0.839 328 D CB 0.538 41.379 40.800 0.068 0.000 0.963 328 D HN 0.308 nan 8.370 nan 0.000 0.506 329 M N -0.161 119.498 119.600 0.099 0.000 2.618 329 M HA 0.311 4.791 4.480 -0.000 0.000 0.281 329 M C -0.629 175.739 176.300 0.113 0.000 1.267 329 M CA -0.888 54.513 55.300 0.167 0.000 0.845 329 M CB 2.617 35.365 32.600 0.246 0.000 1.732 329 M HN -0.277 nan 8.290 nan 0.000 0.461 330 E N 1.562 121.829 120.200 0.111 0.000 2.413 330 E HA 0.124 4.474 4.350 -0.000 0.000 0.263 330 E C -0.641 176.037 176.600 0.130 0.000 1.015 330 E CA 0.042 56.497 56.400 0.092 0.000 0.916 330 E CB 0.588 30.323 29.700 0.058 0.000 0.947 330 E HN 0.361 nan 8.360 nan 0.000 0.440 331 R N 1.914 122.502 120.500 0.147 0.000 2.623 331 R HA -0.041 4.298 4.340 -0.000 0.000 0.271 331 R C 0.942 177.375 176.300 0.221 0.000 1.043 331 R CA -0.118 56.111 56.100 0.215 0.000 1.083 331 R CB 0.247 30.663 30.300 0.194 0.000 0.974 331 R HN 0.621 nan 8.270 nan 0.000 0.436 332 F N 2.532 122.572 119.950 0.149 0.000 2.091 332 F HA -0.242 4.284 4.527 -0.001 0.000 0.299 332 F C 1.440 177.333 175.800 0.156 0.000 1.103 332 F CA 1.551 59.638 58.000 0.146 0.000 1.228 332 F CB -0.056 39.039 39.000 0.157 0.000 0.984 332 F HN 0.503 nan 8.300 nan 0.000 0.477 333 H N 1.206 120.502 119.070 0.377 0.000 2.848 333 H HA 0.155 4.711 4.556 -0.001 0.000 0.317 333 H C -0.109 175.300 175.328 0.134 0.000 1.046 333 H CA 0.392 56.608 56.048 0.280 0.000 1.470 333 H CB 0.550 30.485 29.762 0.287 0.000 1.483 333 H HN 0.258 nan 8.280 nan 0.000 0.548 334 T N 0.815 115.097 114.554 -0.453 0.000 2.922 334 T HA 0.170 4.520 4.350 -0.000 0.000 0.281 334 T C 1.447 175.902 174.700 -0.409 0.000 1.005 334 T CA -0.296 61.616 62.100 -0.312 0.000 0.982 334 T CB 1.205 69.963 68.868 -0.183 0.000 1.158 334 T HN 0.561 nan 8.240 nan 0.000 0.566 335 S N 0.883 116.470 115.700 -0.189 0.000 2.387 335 S HA -0.107 4.362 4.470 -0.000 0.000 0.226 335 S C 1.316 175.866 174.600 -0.082 0.000 1.026 335 S CA 0.817 58.950 58.200 -0.112 0.000 0.972 335 S CB -0.847 62.322 63.200 -0.051 0.000 0.814 335 S HN 0.887 nan 8.310 nan 0.000 0.477 336 N N 1.716 120.367 118.700 -0.081 0.000 2.276 336 N HA 0.293 5.032 4.740 -0.000 0.000 0.212 336 N C 0.270 175.755 175.510 -0.042 0.000 1.127 336 N CA 0.107 53.129 53.050 -0.046 0.000 0.834 336 N CB -0.156 38.310 38.487 -0.035 0.000 1.014 336 N HN 0.402 nan 8.380 nan 0.000 0.491 337 G N -0.528 108.223 108.800 -0.081 0.000 2.348 337 G HA2 0.176 4.136 3.960 -0.000 0.000 0.312 337 G HA3 0.176 4.136 3.960 -0.000 0.000 0.312 337 G C -0.860 174.098 174.900 0.098 0.000 1.126 337 G CA -0.495 44.590 45.100 -0.026 0.000 0.865 337 G HN 0.136 nan 8.290 nan 0.000 0.474 338 D N 1.217 121.691 120.400 0.123 0.000 2.425 338 D HA 0.029 4.669 4.640 -0.000 0.000 0.247 338 D C 1.499 177.939 176.300 0.235 0.000 1.147 338 D CA -0.119 53.968 54.000 0.146 0.000 0.879 338 D CB 0.990 41.856 40.800 0.110 0.000 1.179 338 D HN 0.382 nan 8.370 nan 0.000 0.456 339 R N 2.411 123.023 120.500 0.188 0.000 2.152 339 R HA -0.164 4.176 4.340 -0.000 0.000 0.232 339 R C 1.879 178.305 176.300 0.210 0.000 1.117 339 R CA 0.773 56.977 56.100 0.173 0.000 0.981 339 R CB 0.039 30.262 30.300 -0.129 0.000 0.870 339 R HN 0.252 nan 8.270 nan 0.000 0.451 340 R N 1.670 122.260 120.500 0.150 0.000 2.120 340 R HA -0.101 4.239 4.340 -0.000 0.000 0.234 340 R C 1.391 177.787 176.300 0.160 0.000 1.123 340 R CA 1.605 57.783 56.100 0.130 0.000 0.975 340 R CB -0.088 30.271 30.300 0.098 0.000 0.866 340 R HN 0.089 nan 8.270 nan 0.000 0.446 341 K N -0.074 120.468 120.400 0.237 0.000 2.063 341 K HA -0.131 4.189 4.320 -0.000 0.000 0.208 341 K C 1.870 178.653 176.600 0.305 0.000 1.048 341 K CA 1.494 57.984 56.287 0.338 0.000 0.928 341 K CB -0.347 32.414 32.500 0.436 0.000 0.713 341 K HN 0.164 nan 8.250 nan 0.000 0.442 342 L N 1.544 122.947 121.223 0.300 0.000 2.072 342 L HA -0.155 4.185 4.340 -0.000 0.000 0.205 342 L C 1.664 178.459 176.870 -0.125 0.000 1.079 342 L CA 1.905 56.748 54.840 0.004 0.000 0.752 342 L CB -0.446 41.740 42.059 0.212 0.000 0.906 342 L HN 0.235 nan 8.230 nan 0.000 0.436 343 E N -0.348 119.857 120.200 0.008 0.000 2.077 343 E HA -0.261 4.089 4.350 -0.000 0.000 0.193 343 E C 2.142 178.685 176.600 -0.094 0.000 0.989 343 E CA 1.423 57.806 56.400 -0.028 0.000 0.800 343 E CB -0.078 29.654 29.700 0.053 0.000 0.746 343 E HN 0.620 nan 8.360 nan 0.000 0.452 344 Q N 0.246 119.985 119.800 -0.103 0.000 2.050 344 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 344 Q C 2.323 178.073 176.000 -0.417 0.000 0.980 344 Q CA 1.282 56.963 55.803 -0.204 0.000 0.840 344 Q CB -0.193 28.439 28.738 -0.175 0.000 0.898 344 Q HN 0.257 nan 8.270 nan 0.000 0.424 345 A N 0.919 123.425 122.820 -0.523 0.000 1.933 345 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 345 A C 2.066 179.471 177.584 -0.299 0.000 1.175 345 A CA 1.019 52.694 52.037 -0.602 0.000 0.628 345 A CB -0.581 17.979 19.000 -0.733 0.000 0.814 345 A HN 0.267 nan 8.150 nan 0.000 0.444 346 L N -1.015 120.050 121.223 -0.265 0.000 2.056 346 L HA -0.159 4.180 4.340 -0.000 0.000 0.207 346 L C 3.104 179.915 176.870 -0.099 0.000 1.078 346 L CA 0.992 55.740 54.840 -0.154 0.000 0.749 346 L CB -0.528 41.441 42.059 -0.149 0.000 0.901 346 L HN 0.442 nan 8.230 nan 0.000 0.433 347 A N -0.165 122.594 122.820 -0.101 0.000 1.902 347 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 347 A C 2.150 179.745 177.584 0.017 0.000 1.181 347 A CA 1.406 53.407 52.037 -0.060 0.000 0.623 347 A CB -0.786 18.171 19.000 -0.072 0.000 0.818 347 A HN 0.395 nan 8.150 nan 0.000 0.443 348 F N 1.661 121.528 119.950 -0.137 0.000 2.095 348 F HA -0.164 4.363 4.527 -0.001 0.000 0.298 348 F C 2.406 178.270 175.800 0.108 0.000 1.104 348 F CA 2.328 60.323 58.000 -0.008 0.000 1.232 348 F CB -0.808 38.069 39.000 -0.206 0.000 0.987 348 F HN 0.214 nan 8.300 nan 0.000 0.475 349 T N 1.028 115.553 114.554 -0.048 0.000 2.821 349 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 349 T C 1.893 176.510 174.700 -0.137 0.000 1.046 349 T CA 1.177 63.238 62.100 -0.064 0.000 1.139 349 T CB -0.412 68.493 68.868 0.061 0.000 0.871 349 T HN 0.081 nan 8.240 nan 0.000 0.454 350 L N 1.861 123.028 121.223 -0.094 0.000 2.201 350 L HA 0.025 4.365 4.340 -0.000 0.000 0.212 350 L C 2.561 179.370 176.870 -0.102 0.000 1.105 350 L CA 1.609 56.389 54.840 -0.099 0.000 0.775 350 L CB -1.276 40.733 42.059 -0.084 0.000 0.913 350 L HN 0.467 nan 8.230 nan 0.000 0.440 351 T N -5.838 108.673 114.554 -0.072 0.000 3.069 351 T HA 0.201 4.551 4.350 -0.000 0.000 0.252 351 T C 0.946 175.646 174.700 0.000 0.000 1.053 351 T CA -0.153 61.938 62.100 -0.015 0.000 0.964 351 T CB 0.111 69.013 68.868 0.056 0.000 1.005 351 T HN 0.028 nan 8.240 nan 0.000 0.532 352 S N 2.255 117.864 115.700 -0.152 0.000 2.713 352 S HA 0.601 5.071 4.470 -0.000 0.000 0.283 352 S C 0.412 174.889 174.600 -0.204 0.000 1.161 352 S CA -1.067 56.999 58.200 -0.224 0.000 0.999 352 S CB 0.911 63.863 63.200 -0.413 0.000 1.039 352 S HN 0.605 nan 8.310 nan 0.000 0.548 353 R N 0.701 121.103 120.500 -0.163 0.000 2.738 353 R HA 0.607 4.947 4.340 -0.000 0.000 0.268 353 R C 0.631 176.789 176.300 -0.236 0.000 1.062 353 R CA 0.450 56.465 56.100 -0.143 0.000 1.158 353 R CB -1.334 28.936 30.300 -0.050 0.000 1.046 353 R HN 0.948 nan 8.270 nan 0.000 0.493 354 G N -0.317 108.365 108.800 -0.197 0.000 2.451 354 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.208 354 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.208 354 G C -1.499 173.266 174.900 -0.224 0.000 1.248 354 G CA -0.326 44.637 45.100 -0.228 0.000 0.989 354 G HN 0.728 nan 8.290 nan 0.000 0.559 355 V N 2.822 122.598 119.914 -0.229 0.000 2.357 355 V HA 0.537 4.657 4.120 -0.000 0.000 0.281 355 V C -2.045 173.947 176.094 -0.169 0.000 1.015 355 V CA -0.846 61.334 62.300 -0.199 0.000 0.827 355 V CB 1.836 33.530 31.823 -0.214 0.000 1.018 355 V HN 0.700 nan 8.190 nan 0.000 0.432 356 P HA 0.436 nan 4.420 nan 0.000 0.280 356 P C -0.733 176.587 177.300 0.034 0.000 1.244 356 P CA -0.094 62.955 63.100 -0.085 0.000 0.784 356 P CB 1.789 33.424 31.700 -0.107 0.000 0.913 357 A N 4.716 127.613 122.820 0.127 0.000 2.330 357 A HA 0.638 4.958 4.320 -0.000 0.000 0.313 357 A C -0.279 177.447 177.584 0.238 0.000 1.124 357 A CA -0.851 51.334 52.037 0.247 0.000 0.774 357 A CB 0.477 19.715 19.000 0.396 0.000 1.198 357 A HN 0.467 nan 8.150 nan 0.000 0.465 358 I N 2.551 123.245 120.570 0.206 0.000 2.336 358 I HA 0.201 4.371 4.170 -0.000 0.000 0.292 358 I C -0.610 175.565 176.117 0.097 0.000 0.991 358 I CA -0.661 60.735 61.300 0.159 0.000 1.227 358 I CB 1.174 39.273 38.000 0.166 0.000 1.366 358 I HN 0.700 nan 8.210 nan 0.000 0.466 359 Y N 8.269 128.534 120.300 -0.059 0.000 2.377 359 Y HA 0.129 4.678 4.550 -0.001 0.000 0.330 359 Y C 0.003 175.728 175.900 -0.291 0.000 1.108 359 Y CA -1.248 56.770 58.100 -0.136 0.000 1.308 359 Y CB 0.248 38.680 38.460 -0.047 0.000 1.216 359 Y HN 0.449 nan 8.280 nan 0.000 0.518 360 Y N 3.563 123.431 120.300 -0.720 0.000 2.805 360 Y HA 0.328 4.878 4.550 -0.000 0.000 0.337 360 Y C 1.099 176.798 175.900 -0.335 0.000 1.252 360 Y CA -0.361 57.311 58.100 -0.714 0.000 1.515 360 Y CB -0.017 38.158 38.460 -0.474 0.000 1.305 360 Y HN 0.912 nan 8.280 nan 0.000 0.600 361 G N 1.571 110.281 108.800 -0.150 0.000 2.199 361 G HA2 -0.371 3.588 3.960 -0.000 0.000 0.254 361 G HA3 -0.371 3.588 3.960 -0.000 0.000 0.254 361 G C 1.164 175.953 174.900 -0.184 0.000 0.982 361 G CA 0.503 45.466 45.100 -0.228 0.000 0.632 361 G HN 0.782 nan 8.290 nan 0.000 0.529 362 S N 1.154 116.759 115.700 -0.159 0.000 2.359 362 S HA -0.124 4.345 4.470 -0.000 0.000 0.224 362 S C 2.091 176.558 174.600 -0.223 0.000 1.035 362 S CA 1.820 59.943 58.200 -0.128 0.000 1.018 362 S CB -0.257 62.907 63.200 -0.060 0.000 0.876 362 S HN 0.872 nan 8.310 nan 0.000 0.448 363 E N 0.922 121.052 120.200 -0.115 0.000 2.472 363 E HA -0.132 4.217 4.350 -0.000 0.000 0.200 363 E C 0.667 177.166 176.600 -0.170 0.000 1.046 363 E CA 0.757 57.066 56.400 -0.153 0.000 0.871 363 E CB -0.206 29.530 29.700 0.059 0.000 0.806 363 E HN 0.423 nan 8.360 nan 0.000 0.533 364 Q N -0.210 119.518 119.800 -0.120 0.000 2.179 364 Q HA 0.088 4.427 4.340 -0.000 0.000 0.213 364 Q C -0.559 175.484 176.000 0.071 0.000 0.833 364 Q CA -0.494 55.313 55.803 0.006 0.000 0.990 364 Q CB -0.213 28.531 28.738 0.010 0.000 1.132 364 Q HN 0.332 nan 8.270 nan 0.000 0.493 365 Y N -0.840 119.423 120.300 -0.063 0.000 3.305 365 Y HA -0.284 4.265 4.550 -0.001 0.000 0.212 365 Y C 0.345 176.251 175.900 0.010 0.000 1.248 365 Y CA 0.174 58.185 58.100 -0.149 0.000 1.359 365 Y CB -2.412 35.851 38.460 -0.328 0.000 1.407 365 Y HN 0.228 nan 8.280 nan 0.000 0.572 366 M N 0.917 120.567 119.600 0.083 0.000 2.248 366 M HA 0.170 4.650 4.480 -0.000 0.000 0.345 366 M C 0.722 177.124 176.300 0.170 0.000 1.243 366 M CA 0.825 56.170 55.300 0.075 0.000 1.090 366 M CB 0.511 33.066 32.600 -0.076 0.000 1.683 366 M HN 0.407 nan 8.290 nan 0.000 0.450 367 S N 1.580 117.375 115.700 0.159 0.000 2.689 367 S HA 1.015 5.485 4.470 -0.000 0.000 0.306 367 S C -0.210 174.427 174.600 0.061 0.000 1.104 367 S CA -0.554 57.720 58.200 0.123 0.000 0.973 367 S CB 2.204 65.451 63.200 0.079 0.000 1.121 367 S HN 1.038 nan 8.310 nan 0.000 0.523 368 G N -0.966 107.864 108.800 0.049 0.000 2.386 368 G HA2 0.506 4.465 3.960 -0.000 0.000 0.302 368 G HA3 0.506 4.465 3.960 -0.000 0.000 0.302 368 G C -0.223 174.700 174.900 0.039 0.000 1.629 368 G CA -0.357 44.763 45.100 0.034 0.000 0.917 368 G HN 0.987 nan 8.290 nan 0.000 0.676 369 G N 0.067 108.881 108.800 0.024 0.000 2.485 369 G HA2 0.445 4.405 3.960 -0.000 0.000 0.260 369 G HA3 0.445 4.405 3.960 -0.000 0.000 0.260 369 G C 0.390 175.309 174.900 0.032 0.000 1.459 369 G CA -0.531 44.583 45.100 0.023 0.000 1.060 369 G HN 0.695 nan 8.290 nan 0.000 0.546 370 N N 0.329 119.043 118.700 0.022 0.000 2.317 370 N HA 0.049 4.788 4.740 -0.000 0.000 0.245 370 N C 0.016 175.535 175.510 0.015 0.000 1.294 370 N CA -0.277 52.784 53.050 0.018 0.000 0.924 370 N CB 0.390 38.876 38.487 -0.003 0.000 1.186 370 N HN 0.481 nan 8.380 nan 0.000 0.495 371 D N 0.848 121.256 120.400 0.014 0.000 2.752 371 D HA -0.091 4.548 4.640 -0.000 0.000 0.225 371 D C -1.514 174.801 176.300 0.025 0.000 1.104 371 D CA -0.413 53.605 54.000 0.029 0.000 0.832 371 D CB 0.516 41.329 40.800 0.020 0.000 1.161 371 D HN 0.323 nan 8.370 nan 0.000 0.505 372 P HA 0.110 nan 4.420 nan 0.000 0.262 372 P C 0.037 177.346 177.300 0.015 0.000 1.304 372 P CA -0.112 63.019 63.100 0.052 0.000 0.859 372 P CB 0.512 32.241 31.700 0.048 0.000 1.310 373 D N 1.328 121.736 120.400 0.013 0.000 2.310 373 D HA -0.093 4.547 4.640 -0.000 0.000 0.212 373 D C 1.183 177.496 176.300 0.021 0.000 0.965 373 D CA 0.862 54.866 54.000 0.008 0.000 0.879 373 D CB -0.293 40.512 40.800 0.008 0.000 0.921 373 D HN 0.375 nan 8.370 nan 0.000 0.510 374 N N 0.263 118.991 118.700 0.046 0.000 2.398 374 N HA -0.037 4.703 4.740 -0.000 0.000 0.188 374 N C 0.487 176.053 175.510 0.093 0.000 1.122 374 N CA 0.104 53.212 53.050 0.096 0.000 0.866 374 N CB -0.000 38.575 38.487 0.147 0.000 0.970 374 N HN -0.049 nan 8.380 nan 0.000 0.462 375 R N 0.173 120.687 120.500 0.024 0.000 2.767 375 R HA 0.462 4.801 4.340 -0.000 0.000 0.377 375 R C -0.165 176.158 176.300 0.037 0.000 1.151 375 R CA -0.247 55.856 56.100 0.006 0.000 1.046 375 R CB 0.592 30.829 30.300 -0.105 0.000 1.404 375 R HN 0.219 nan 8.270 nan 0.000 0.580 376 A N 0.784 123.616 122.820 0.021 0.000 2.346 376 A HA 0.255 4.575 4.320 -0.000 0.000 0.252 376 A C 0.056 177.689 177.584 0.081 0.000 1.089 376 A CA -0.384 51.658 52.037 0.009 0.000 0.797 376 A CB 0.263 19.252 19.000 -0.019 0.000 1.047 376 A HN 0.460 nan 8.150 nan 0.000 0.494 377 R N 0.514 121.039 120.500 0.041 0.000 2.537 377 R HA 0.291 4.631 4.340 -0.000 0.000 0.280 377 R C -0.067 176.262 176.300 0.049 0.000 1.058 377 R CA -0.283 55.858 56.100 0.068 0.000 1.057 377 R CB 0.010 30.313 30.300 0.006 0.000 0.973 377 R HN 0.735 nan 8.270 nan 0.000 0.438 378 L N 5.509 126.783 121.223 0.085 0.000 2.416 378 L HA 0.365 4.705 4.340 -0.000 0.000 0.272 378 L C -1.775 174.946 176.870 -0.249 0.000 1.161 378 L CA -1.214 53.582 54.840 -0.074 0.000 0.845 378 L CB 1.205 43.254 42.059 -0.016 0.000 1.119 378 L HN 0.628 nan 8.230 nan 0.000 0.464 379 P HA 0.035 nan 4.420 nan 0.000 0.227 379 P C 0.159 177.327 177.300 -0.219 0.000 1.161 379 P CA 0.312 63.311 63.100 -0.168 0.000 0.788 379 P CB 0.521 32.168 31.700 -0.089 0.000 0.822 380 S N -1.360 114.128 115.700 -0.352 0.000 2.547 380 S HA 0.524 4.994 4.470 -0.000 0.000 0.270 380 S C -1.369 172.905 174.600 -0.543 0.000 1.150 380 S CA -0.534 57.492 58.200 -0.291 0.000 0.850 380 S CB 0.361 63.496 63.200 -0.109 0.000 1.118 380 S HN -0.176 nan 8.310 nan 0.000 0.461 381 F N 2.318 122.146 119.950 -0.202 0.000 2.923 381 F HA 0.384 4.911 4.527 -0.000 0.000 0.314 381 F C 1.165 176.926 175.800 -0.065 0.000 1.196 381 F CA -0.324 57.433 58.000 -0.404 0.000 1.320 381 F CB 0.704 39.307 39.000 -0.661 0.000 0.953 381 F HN 0.494 nan 8.300 nan 0.000 0.505 382 S N 0.050 115.816 115.700 0.111 0.000 2.525 382 S HA -0.017 4.453 4.470 -0.000 0.000 0.285 382 S C 1.378 175.979 174.600 0.000 0.000 1.283 382 S CA 0.237 58.475 58.200 0.064 0.000 1.072 382 S CB 0.599 63.823 63.200 0.040 0.000 0.867 382 S HN 0.342 nan 8.310 nan 0.000 0.492 383 T N 3.306 117.731 114.554 -0.215 0.000 3.144 383 T HA 0.099 4.449 4.350 -0.000 0.000 0.249 383 T C 1.277 175.626 174.700 -0.584 0.000 1.089 383 T CA 0.766 62.372 62.100 -0.822 0.000 0.989 383 T CB -0.166 68.417 68.868 -0.476 0.000 0.992 383 T HN 0.848 nan 8.240 nan 0.000 0.540 384 T N -0.403 114.024 114.554 -0.211 0.000 3.182 384 T HA 0.184 4.534 4.350 -0.000 0.000 0.277 384 T C 0.837 175.553 174.700 0.026 0.000 1.013 384 T CA -0.497 61.557 62.100 -0.076 0.000 0.900 384 T CB -0.201 68.642 68.868 -0.042 0.000 1.098 384 T HN 0.335 nan 8.240 nan 0.000 0.543 385 T N -0.777 113.829 114.554 0.087 0.000 2.868 385 T HA 0.264 4.613 4.350 -0.000 0.000 0.292 385 T C 1.424 176.245 174.700 0.202 0.000 1.028 385 T CA -0.191 62.025 62.100 0.193 0.000 1.059 385 T CB 1.085 70.131 68.868 0.296 0.000 0.991 385 T HN 0.035 nan 8.240 nan 0.000 0.531 386 T N 1.798 116.486 114.554 0.223 0.000 2.720 386 T HA -0.073 4.277 4.350 -0.000 0.000 0.268 386 T C 2.395 177.184 174.700 0.148 0.000 1.037 386 T CA 1.461 63.663 62.100 0.171 0.000 1.144 386 T CB -0.822 68.145 68.868 0.165 0.000 0.864 386 T HN 0.826 nan 8.240 nan 0.000 0.444 387 A N 0.346 123.255 122.820 0.147 0.000 1.940 387 A HA -0.122 4.197 4.320 -0.000 0.000 0.219 387 A C 2.070 179.647 177.584 -0.013 0.000 1.176 387 A CA 1.557 53.558 52.037 -0.059 0.000 0.631 387 A CB -1.036 17.693 19.000 -0.451 0.000 0.814 387 A HN 0.627 nan 8.150 nan 0.000 0.446 388 Y N 0.313 120.576 120.300 -0.060 0.000 2.181 388 Y HA -0.256 4.294 4.550 -0.000 0.000 0.288 388 Y C 2.613 178.480 175.900 -0.054 0.000 1.146 388 Y CA 2.323 60.388 58.100 -0.058 0.000 1.164 388 Y CB -0.225 38.219 38.460 -0.026 0.000 0.982 388 Y HN 0.417 nan 8.280 nan 0.000 0.515 389 Q N -0.731 119.199 119.800 0.216 0.000 2.124 389 Q HA -0.176 4.163 4.340 -0.000 0.000 0.202 389 Q C 2.444 178.452 176.000 0.014 0.000 0.977 389 Q CA 1.982 57.858 55.803 0.121 0.000 0.850 389 Q CB -0.301 28.500 28.738 0.106 0.000 0.901 389 Q HN 0.589 nan 8.270 nan 0.000 0.429 390 V N -1.375 118.532 119.914 -0.011 0.000 2.548 390 V HA -0.173 3.947 4.120 -0.000 0.000 0.249 390 V C 1.827 177.870 176.094 -0.086 0.000 1.055 390 V CA 1.325 63.596 62.300 -0.048 0.000 1.065 390 V CB -0.400 31.393 31.823 -0.050 0.000 0.681 390 V HN 0.270 nan 8.190 nan 0.000 0.462 391 I N 0.456 120.950 120.570 -0.125 0.000 2.286 391 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 391 I C 2.835 178.844 176.117 -0.181 0.000 1.104 391 I CA 2.074 63.276 61.300 -0.164 0.000 1.397 391 I CB -0.484 37.383 38.000 -0.221 0.000 1.072 391 I HN 0.430 nan 8.210 nan 0.000 0.417 392 Q N 1.680 121.357 119.800 -0.206 0.000 2.135 392 Q HA -0.254 4.085 4.340 -0.000 0.000 0.204 392 Q C 2.042 177.987 176.000 -0.091 0.000 0.981 392 Q CA 1.779 57.488 55.803 -0.157 0.000 0.856 392 Q CB 0.079 28.766 28.738 -0.084 0.000 0.902 392 Q HN 0.445 nan 8.270 nan 0.000 0.425 393 K N -0.296 120.061 120.400 -0.071 0.000 2.116 393 K HA 0.007 4.326 4.320 -0.000 0.000 0.203 393 K C 2.003 178.558 176.600 -0.075 0.000 1.052 393 K CA 0.874 57.125 56.287 -0.060 0.000 0.952 393 K CB 0.200 32.671 32.500 -0.049 0.000 0.729 393 K HN 0.246 nan 8.250 nan 0.000 0.446 394 L N -0.245 120.925 121.223 -0.088 0.000 2.298 394 L HA 0.109 4.448 4.340 -0.000 0.000 0.209 394 L C 2.421 179.232 176.870 -0.098 0.000 1.084 394 L CA 0.338 55.123 54.840 -0.091 0.000 0.816 394 L CB -0.300 41.704 42.059 -0.092 0.000 0.967 394 L HN 0.098 nan 8.230 nan 0.000 0.460 395 A N 1.187 123.943 122.820 -0.106 0.000 1.933 395 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 395 A C -0.193 177.325 177.584 -0.110 0.000 1.175 395 A CA 1.332 53.303 52.037 -0.110 0.000 0.628 395 A CB -1.653 17.277 19.000 -0.116 0.000 0.814 395 A HN 0.276 nan 8.150 nan 0.000 0.444 396 P HA -0.098 nan 4.420 nan 0.000 0.225 396 P C 1.220 178.460 177.300 -0.100 0.000 1.148 396 P CA 0.686 63.729 63.100 -0.096 0.000 0.779 396 P CB -0.202 31.451 31.700 -0.078 0.000 0.780 397 L N -0.786 120.377 121.223 -0.100 0.000 2.376 397 L HA -0.024 4.316 4.340 -0.000 0.000 0.219 397 L C 2.701 179.492 176.870 -0.132 0.000 1.133 397 L CA 0.895 55.675 54.840 -0.101 0.000 0.816 397 L CB -0.629 41.377 42.059 -0.089 0.000 0.933 397 L HN -0.054 nan 8.230 nan 0.000 0.449 398 R N -0.052 120.356 120.500 -0.153 0.000 2.148 398 R HA -0.060 4.279 4.340 -0.000 0.000 0.223 398 R C 1.984 178.149 176.300 -0.225 0.000 1.088 398 R CA 0.588 56.564 56.100 -0.206 0.000 0.985 398 R CB 0.004 30.180 30.300 -0.205 0.000 0.880 398 R HN 0.253 nan 8.270 nan 0.000 0.451 399 K N 0.177 120.472 120.400 -0.175 0.000 2.211 399 K HA 0.023 4.343 4.320 -0.000 0.000 0.201 399 K C 2.054 178.570 176.600 -0.139 0.000 1.052 399 K CA 1.266 57.454 56.287 -0.164 0.000 0.973 399 K CB 0.189 32.609 32.500 -0.134 0.000 0.766 399 K HN 0.145 nan 8.250 nan 0.000 0.466 400 S N 0.294 115.922 115.700 -0.120 0.000 2.470 400 S HA 0.047 4.517 4.470 -0.000 0.000 0.222 400 S C 0.779 175.322 174.600 -0.095 0.000 1.024 400 S CA -0.086 58.056 58.200 -0.096 0.000 0.931 400 S CB -0.035 63.118 63.200 -0.078 0.000 0.791 400 S HN 0.043 nan 8.310 nan 0.000 0.513 401 N N 2.415 121.048 118.700 -0.112 0.000 2.518 401 N HA 0.373 5.113 4.740 -0.000 0.000 0.254 401 N C -2.303 173.129 175.510 -0.131 0.000 0.979 401 N CA -2.253 50.742 53.050 -0.092 0.000 0.930 401 N CB 1.975 40.419 38.487 -0.071 0.000 1.152 401 N HN -0.002 nan 8.380 nan 0.000 0.505 402 P HA -0.080 nan 4.420 nan 0.000 0.225 402 P C 0.867 178.072 177.300 -0.158 0.000 1.148 402 P CA 0.652 63.650 63.100 -0.171 0.000 0.779 402 P CB 0.389 32.110 31.700 0.034 0.000 0.780 403 A N 0.375 123.208 122.820 0.021 0.000 1.930 403 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 403 A C 2.244 179.817 177.584 -0.018 0.000 1.175 403 A CA 1.170 53.263 52.037 0.093 0.000 0.627 403 A CB -1.165 17.913 19.000 0.130 0.000 0.815 403 A HN 0.033 nan 8.150 nan 0.000 0.443 404 I N -0.121 120.399 120.570 -0.084 0.000 2.252 404 I HA -0.195 3.974 4.170 -0.000 0.000 0.245 404 I C 2.904 178.884 176.117 -0.228 0.000 1.102 404 I CA 1.471 62.704 61.300 -0.112 0.000 1.385 404 I CB -1.536 36.393 38.000 -0.118 0.000 1.064 404 I HN 0.360 nan 8.210 nan 0.000 0.414 405 A N -0.175 122.403 122.820 -0.404 0.000 1.898 405 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 405 A C 1.832 178.973 177.584 -0.739 0.000 1.181 405 A CA 1.511 53.133 52.037 -0.692 0.000 0.620 405 A CB -0.564 17.786 19.000 -1.084 0.000 0.819 405 A HN 0.515 nan 8.150 nan 0.000 0.442 406 Y N -1.380 118.714 120.300 -0.344 0.000 2.448 406 Y HA 0.335 4.885 4.550 -0.001 0.000 0.257 406 Y C 1.611 177.444 175.900 -0.112 0.000 1.089 406 Y CA -0.585 57.306 58.100 -0.348 0.000 1.245 406 Y CB 0.002 37.965 38.460 -0.829 0.000 1.282 406 Y HN 0.296 nan 8.280 nan 0.000 0.529 407 G N 1.249 110.104 108.800 0.093 0.000 2.594 407 G HA2 0.294 4.253 3.960 -0.000 0.000 0.243 407 G HA3 0.294 4.253 3.960 -0.000 0.000 0.243 407 G C 0.242 175.264 174.900 0.203 0.000 1.229 407 G CA -0.149 45.103 45.100 0.254 0.000 0.843 407 G HN 0.229 nan 8.290 nan 0.000 0.578 408 S N -0.552 115.282 115.700 0.224 0.000 2.608 408 S HA 0.497 4.967 4.470 -0.000 0.000 0.261 408 S C 0.091 174.801 174.600 0.184 0.000 1.314 408 S CA -0.329 57.977 58.200 0.177 0.000 0.992 408 S CB 1.275 64.568 63.200 0.154 0.000 0.935 408 S HN 0.568 nan 8.310 nan 0.000 0.564 409 T N 1.415 116.075 114.554 0.176 0.000 2.812 409 T HA 0.424 4.774 4.350 -0.000 0.000 0.282 409 T C -0.858 174.003 174.700 0.268 0.000 0.990 409 T CA -0.403 61.822 62.100 0.209 0.000 0.960 409 T CB 0.574 69.518 68.868 0.126 0.000 0.948 409 T HN 0.812 nan 8.240 nan 0.000 0.438 410 H N 2.157 121.341 119.070 0.190 0.000 2.840 410 H HA 0.285 4.841 4.556 -0.001 0.000 0.340 410 H C -0.789 174.668 175.328 0.216 0.000 1.004 410 H CA -0.634 55.517 56.048 0.171 0.000 1.288 410 H CB 1.260 31.109 29.762 0.146 0.000 1.607 410 H HN 0.506 nan 8.280 nan 0.000 0.522 411 E N 4.815 125.158 120.200 0.239 0.000 2.257 411 E HA 0.038 4.388 4.350 -0.000 0.000 0.278 411 E C 0.042 176.599 176.600 -0.071 0.000 1.049 411 E CA -0.317 56.163 56.400 0.132 0.000 0.876 411 E CB 0.665 30.456 29.700 0.152 0.000 1.035 411 E HN 0.704 nan 8.360 nan 0.000 0.419 412 R N 3.337 123.812 120.500 -0.042 0.000 2.225 412 R HA 0.119 4.458 4.340 -0.000 0.000 0.194 412 R C -0.068 176.329 176.300 0.162 0.000 0.957 412 R CA 0.334 56.414 56.100 -0.035 0.000 1.042 412 R CB 0.217 30.513 30.300 -0.007 0.000 1.004 412 R HN 0.562 nan 8.270 nan 0.000 0.509 413 W N -0.281 121.019 121.300 0.000 0.000 3.296 413 W HA 0.598 5.258 4.660 -0.000 0.000 0.314 413 W C -1.565 174.946 176.519 -0.013 0.000 1.238 413 W CA -0.631 56.715 57.345 0.002 0.000 1.193 413 W CB 1.351 30.814 29.460 0.005 0.000 1.383 413 W HN -0.172 nan 8.180 nan 0.000 0.545 414 I N 5.248 125.676 120.570 -0.237 0.000 2.908 414 I HA 0.441 4.611 4.170 -0.000 0.000 0.300 414 I C -1.439 174.408 176.117 -0.450 0.000 1.385 414 I CA -0.482 60.691 61.300 -0.212 0.000 1.004 414 I CB 1.608 39.412 38.000 -0.327 0.000 1.309 414 I HN 0.643 nan 8.210 nan 0.000 0.449 415 N N 2.979 121.527 118.700 -0.253 0.000 3.439 415 N HA 0.351 5.091 4.740 -0.000 0.000 0.313 415 N C -0.430 174.989 175.510 -0.151 0.000 1.598 415 N CA -0.641 52.313 53.050 -0.160 0.000 0.830 415 N CB 0.048 38.534 38.487 -0.003 0.000 1.849 415 N HN 0.428 nan 8.380 nan 0.000 0.598 416 N N -0.453 118.249 118.700 0.003 0.000 2.205 416 N HA -0.070 4.670 4.740 -0.000 0.000 0.186 416 N C -0.281 175.202 175.510 -0.046 0.000 1.015 416 N CA 1.475 54.528 53.050 0.005 0.000 0.862 416 N CB -0.177 38.341 38.487 0.053 0.000 0.986 416 N HN 0.525 nan 8.380 nan 0.000 0.429 417 D N -1.036 119.359 120.400 -0.008 0.000 2.474 417 D HA 0.169 4.809 4.640 -0.000 0.000 0.213 417 D C -0.418 175.905 176.300 0.037 0.000 1.120 417 D CA 0.138 54.139 54.000 0.001 0.000 0.836 417 D CB 1.284 42.104 40.800 0.032 0.000 1.019 417 D HN -0.101 nan 8.370 nan 0.000 0.507 418 V N 1.861 121.822 119.914 0.078 0.000 2.540 418 V HA 0.466 4.585 4.120 -0.000 0.000 0.302 418 V C -0.427 175.761 176.094 0.157 0.000 1.035 418 V CA -0.866 61.526 62.300 0.154 0.000 0.873 418 V CB 2.925 34.906 31.823 0.263 0.000 0.992 418 V HN -0.061 nan 8.190 nan 0.000 0.428 419 I N 5.845 126.519 120.570 0.173 0.000 2.582 419 I HA 0.694 4.863 4.170 -0.000 0.000 0.292 419 I C -1.251 175.027 176.117 0.267 0.000 1.066 419 I CA -0.954 60.473 61.300 0.211 0.000 1.053 419 I CB 1.922 40.029 38.000 0.178 0.000 1.241 419 I HN 0.767 nan 8.210 nan 0.000 0.421 420 I N 7.385 128.127 120.570 0.287 0.000 2.436 420 I HA 0.589 4.759 4.170 -0.000 0.000 0.289 420 I C -1.596 174.653 176.117 0.219 0.000 1.010 420 I CA -0.095 61.325 61.300 0.199 0.000 1.098 420 I CB 1.557 39.693 38.000 0.225 0.000 1.266 420 I HN 0.505 nan 8.210 nan 0.000 0.434 421 Y N 2.589 122.988 120.300 0.166 0.000 2.602 421 Y HA 0.793 5.343 4.550 -0.001 0.000 0.342 421 Y C -0.835 175.140 175.900 0.125 0.000 1.029 421 Y CA -1.233 56.947 58.100 0.133 0.000 1.080 421 Y CB 1.039 39.602 38.460 0.171 0.000 1.284 421 Y HN 0.771 nan 8.280 nan 0.000 0.485 422 E N 1.819 122.181 120.200 0.271 0.000 2.222 422 E HA 0.500 4.849 4.350 -0.000 0.000 0.267 422 E C -1.209 175.564 176.600 0.288 0.000 0.884 422 E CA -1.141 55.378 56.400 0.198 0.000 0.764 422 E CB 1.109 30.891 29.700 0.135 0.000 1.169 422 E HN 0.609 nan 8.360 nan 0.000 0.413 423 R N 3.298 123.938 120.500 0.232 0.000 2.514 423 R HA 0.460 4.799 4.340 -0.000 0.000 0.301 423 R C -0.800 175.614 176.300 0.189 0.000 0.962 423 R CA -0.667 55.564 56.100 0.218 0.000 0.882 423 R CB 1.595 32.002 30.300 0.178 0.000 1.143 423 R HN 0.492 nan 8.270 nan 0.000 0.452 424 K N 2.335 122.861 120.400 0.210 0.000 2.535 424 K HA 0.405 4.725 4.320 -0.000 0.000 0.250 424 K C -1.816 174.958 176.600 0.290 0.000 0.948 424 K CA -0.556 55.859 56.287 0.213 0.000 0.796 424 K CB 1.384 33.994 32.500 0.182 0.000 1.216 424 K HN 0.396 nan 8.250 nan 0.000 0.432 425 F N 4.333 124.335 119.950 0.088 0.000 2.716 425 F HA 0.400 4.927 4.527 -0.001 0.000 0.354 425 F C 0.438 176.273 175.800 0.058 0.000 1.168 425 F CA 0.662 58.712 58.000 0.082 0.000 1.045 425 F CB 1.179 40.245 39.000 0.110 0.000 1.311 425 F HN 0.866 nan 8.300 nan 0.000 0.477 426 G N 5.137 113.823 108.800 -0.191 0.000 2.574 426 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.301 426 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.301 426 G C 0.780 175.681 174.900 0.002 0.000 1.166 426 G CA 0.543 45.546 45.100 -0.162 0.000 0.971 426 G HN 0.567 nan 8.290 nan 0.000 0.542 427 N N 2.536 121.262 118.700 0.043 0.000 2.280 427 N HA 0.086 4.826 4.740 -0.000 0.000 0.192 427 N C 0.119 175.736 175.510 0.178 0.000 1.109 427 N CA 0.176 53.297 53.050 0.118 0.000 0.855 427 N CB 0.007 38.569 38.487 0.125 0.000 0.974 427 N HN 0.510 nan 8.380 nan 0.000 0.482 428 N N 0.925 119.715 118.700 0.150 0.000 2.456 428 N HA 0.254 4.994 4.740 -0.000 0.000 0.288 428 N C -0.674 174.934 175.510 0.164 0.000 1.059 428 N CA -0.183 52.948 53.050 0.136 0.000 0.946 428 N CB 2.954 41.517 38.487 0.126 0.000 1.150 428 N HN -0.152 nan 8.380 nan 0.000 0.479 429 V N -0.305 119.700 119.914 0.151 0.000 3.049 429 V HA 0.894 5.014 4.120 -0.000 0.000 0.309 429 V C -1.533 174.611 176.094 0.083 0.000 1.148 429 V CA -0.580 61.796 62.300 0.127 0.000 0.990 429 V CB 1.836 33.731 31.823 0.120 0.000 1.039 429 V HN 0.780 nan 8.190 nan 0.000 0.430 430 A N 4.349 127.212 122.820 0.073 0.000 2.449 430 A HA 0.918 5.238 4.320 -0.000 0.000 0.302 430 A C -1.406 176.200 177.584 0.037 0.000 1.048 430 A CA -0.572 51.488 52.037 0.039 0.000 0.708 430 A CB 2.145 21.157 19.000 0.021 0.000 1.274 430 A HN 1.458 nan 8.150 nan 0.000 0.410 431 V N 1.907 121.842 119.914 0.034 0.000 2.588 431 V HA 0.711 4.831 4.120 -0.000 0.000 0.304 431 V C -0.481 175.567 176.094 -0.076 0.000 1.042 431 V CA -0.540 61.787 62.300 0.045 0.000 0.877 431 V CB 1.509 33.450 31.823 0.197 0.000 0.996 431 V HN 1.337 nan 8.190 nan 0.000 0.425 432 V N 3.370 123.078 119.914 -0.344 0.000 2.709 432 V HA 1.009 5.129 4.120 -0.000 0.000 0.308 432 V C -0.399 175.475 176.094 -0.366 0.000 1.062 432 V CA -0.200 61.816 62.300 -0.474 0.000 0.901 432 V CB 1.877 33.387 31.823 -0.521 0.000 1.003 432 V HN 1.259 nan 8.190 nan 0.000 0.425 433 A N 6.604 129.271 122.820 -0.255 0.000 2.355 433 A HA 0.933 5.253 4.320 -0.000 0.000 0.317 433 A C -0.917 176.659 177.584 -0.014 0.000 1.094 433 A CA -0.636 51.387 52.037 -0.023 0.000 0.764 433 A CB 1.333 20.438 19.000 0.174 0.000 1.230 433 A HN 1.729 nan 8.150 nan 0.000 0.448 434 I N 2.161 122.783 120.570 0.087 0.000 2.571 434 I HA 0.365 4.535 4.170 -0.000 0.000 0.289 434 I C -1.019 175.181 176.117 0.139 0.000 1.115 434 I CA -0.505 60.862 61.300 0.113 0.000 1.045 434 I CB 1.622 39.728 38.000 0.177 0.000 1.238 434 I HN 0.776 nan 8.210 nan 0.000 0.424 435 N N 6.990 125.759 118.700 0.115 0.000 2.501 435 N HA 0.299 5.039 4.740 -0.000 0.000 0.245 435 N C 0.767 176.351 175.510 0.123 0.000 0.974 435 N CA -0.688 52.425 53.050 0.105 0.000 0.941 435 N CB 0.853 39.387 38.487 0.078 0.000 1.122 435 N HN 0.747 nan 8.380 nan 0.000 0.507 436 R N 2.356 122.936 120.500 0.133 0.000 2.313 436 R HA 0.045 4.385 4.340 -0.000 0.000 0.199 436 R C -0.030 176.330 176.300 0.101 0.000 0.958 436 R CA -0.028 56.165 56.100 0.156 0.000 1.047 436 R CB -0.117 30.258 30.300 0.124 0.000 0.955 436 R HN 0.351 nan 8.270 nan 0.000 0.481 437 N N 1.233 119.977 118.700 0.074 0.000 2.422 437 N HA 0.036 4.776 4.740 -0.000 0.000 0.264 437 N C 0.410 175.956 175.510 0.061 0.000 1.063 437 N CA -0.134 52.950 53.050 0.057 0.000 0.959 437 N CB 1.058 39.573 38.487 0.048 0.000 1.087 437 N HN 0.119 nan 8.380 nan 0.000 0.483 438 M N 2.943 122.578 119.600 0.058 0.000 2.556 438 M HA 0.037 4.517 4.480 -0.000 0.000 0.245 438 M C 0.458 176.784 176.300 0.044 0.000 1.128 438 M CA 0.677 56.011 55.300 0.056 0.000 1.069 438 M CB -0.789 31.847 32.600 0.060 0.000 1.469 438 M HN 0.548 nan 8.290 nan 0.000 0.494 439 N N -0.618 118.105 118.700 0.039 0.000 2.516 439 N HA 0.024 4.764 4.740 -0.000 0.000 0.197 439 N C -0.166 175.363 175.510 0.031 0.000 1.064 439 N CA 0.287 53.356 53.050 0.032 0.000 0.866 439 N CB 0.477 38.980 38.487 0.027 0.000 1.255 439 N HN 0.053 nan 8.380 nan 0.000 0.447 440 T N 3.581 118.155 114.554 0.033 0.000 2.758 440 T HA 0.302 4.652 4.350 -0.000 0.000 0.285 440 T C -2.623 172.096 174.700 0.033 0.000 0.981 440 T CA -1.469 60.650 62.100 0.032 0.000 0.965 440 T CB 1.856 70.744 68.868 0.033 0.000 0.927 440 T HN -0.009 nan 8.240 nan 0.000 0.448 441 P HA 0.254 nan 4.420 nan 0.000 0.269 441 P C -1.102 176.205 177.300 0.011 0.000 1.217 441 P CA -0.396 62.717 63.100 0.022 0.000 0.783 441 P CB 0.558 32.269 31.700 0.019 0.000 0.898 442 A N 1.602 124.412 122.820 -0.016 0.000 2.318 442 A HA 0.431 4.751 4.320 -0.000 0.000 0.317 442 A C 0.182 177.673 177.584 -0.154 0.000 1.159 442 A CA -0.612 51.394 52.037 -0.051 0.000 0.799 442 A CB 0.721 19.685 19.000 -0.059 0.000 1.194 442 A HN 0.455 nan 8.150 nan 0.000 0.479 443 S N 3.095 118.720 115.700 -0.126 0.000 2.422 443 S HA 0.413 4.883 4.470 -0.000 0.000 0.283 443 S C -0.056 174.310 174.600 -0.389 0.000 1.163 443 S CA -0.461 57.623 58.200 -0.194 0.000 1.054 443 S CB -0.537 62.621 63.200 -0.069 0.000 0.967 443 S HN 0.439 nan 8.310 nan 0.000 0.499 444 I N 6.009 126.149 120.570 -0.717 0.000 2.315 444 I HA 0.319 4.488 4.170 -0.000 0.000 0.291 444 I C 0.681 176.439 176.117 -0.598 0.000 1.006 444 I CA -0.232 60.419 61.300 -1.082 0.000 1.265 444 I CB 0.488 37.480 38.000 -1.680 0.000 1.387 444 I HN 0.698 nan 8.210 nan 0.000 0.475 445 T N 0.539 114.958 114.554 -0.225 0.000 2.893 445 T HA 0.663 5.012 4.350 -0.000 0.000 0.293 445 T C 0.554 175.346 174.700 0.153 0.000 1.027 445 T CA -0.248 61.839 62.100 -0.021 0.000 0.988 445 T CB 1.988 70.888 68.868 0.054 0.000 1.043 445 T HN 1.039 nan 8.240 nan 0.000 0.461 446 G N 0.957 109.817 108.800 0.099 0.000 2.137 446 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.237 446 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.237 446 G C -0.180 174.834 174.900 0.190 0.000 1.002 446 G CA -0.020 45.167 45.100 0.146 0.000 0.702 446 G HN 1.133 nan 8.290 nan 0.000 0.515 447 L N 1.422 122.726 121.223 0.136 0.000 2.360 447 L HA 0.665 5.005 4.340 -0.000 0.000 0.276 447 L C 0.528 177.456 176.870 0.097 0.000 1.121 447 L CA -0.493 54.435 54.840 0.147 0.000 0.845 447 L CB 1.379 43.472 42.059 0.056 0.000 1.143 447 L HN 0.847 nan 8.230 nan 0.000 0.452 448 V N 2.250 122.221 119.914 0.096 0.000 2.735 448 V HA 0.992 5.112 4.120 -0.000 0.000 0.310 448 V C -0.200 175.923 176.094 0.047 0.000 1.061 448 V CA 0.236 62.572 62.300 0.060 0.000 0.913 448 V CB 1.481 33.343 31.823 0.065 0.000 1.005 448 V HN 1.009 nan 8.190 nan 0.000 0.428 449 T N -0.101 114.470 114.554 0.028 0.000 2.804 449 T HA 0.491 4.840 4.350 -0.000 0.000 0.290 449 T C 0.370 175.086 174.700 0.026 0.000 1.099 449 T CA 0.004 62.117 62.100 0.022 0.000 1.011 449 T CB 1.531 70.389 68.868 -0.018 0.000 1.291 449 T HN 0.674 nan 8.240 nan 0.000 0.523 450 S N 0.081 115.802 115.700 0.034 0.000 2.634 450 S HA 0.297 4.767 4.470 -0.000 0.000 0.221 450 S C 0.564 175.153 174.600 -0.019 0.000 0.952 450 S CA -0.446 57.773 58.200 0.032 0.000 0.930 450 S CB -0.752 62.493 63.200 0.074 0.000 0.780 450 S HN 0.446 nan 8.310 nan 0.000 0.498 451 L N 3.572 124.751 121.223 -0.074 0.000 2.416 451 L HA 0.248 4.588 4.340 -0.000 0.000 0.272 451 L C -1.932 174.870 176.870 -0.112 0.000 1.161 451 L CA -1.935 52.806 54.840 -0.165 0.000 0.845 451 L CB 0.212 42.078 42.059 -0.321 0.000 1.119 451 L HN 0.006 nan 8.230 nan 0.000 0.464 452 P HA -0.008 nan 4.420 nan 0.000 0.271 452 P C -0.651 176.650 177.300 0.002 0.000 1.233 452 P CA -0.466 62.542 63.100 -0.152 0.000 0.789 452 P CB 0.448 31.933 31.700 -0.358 0.000 0.951 453 R N 0.362 120.842 120.500 -0.033 0.000 2.570 453 R HA 0.420 4.760 4.340 -0.000 0.000 0.277 453 R C 0.224 176.473 176.300 -0.086 0.000 1.039 453 R CA 0.806 56.888 56.100 -0.029 0.000 1.065 453 R CB -0.573 29.700 30.300 -0.045 0.000 0.964 453 R HN 0.829 nan 8.270 nan 0.000 0.428 454 G N 0.939 109.649 108.800 -0.151 0.000 2.320 454 G HA2 0.056 4.016 3.960 -0.000 0.000 0.297 454 G HA3 0.056 4.016 3.960 -0.000 0.000 0.297 454 G C -1.608 173.027 174.900 -0.443 0.000 1.344 454 G CA -0.802 44.076 45.100 -0.370 0.000 0.851 454 G HN 0.434 nan 8.290 nan 0.000 0.567 455 S N 0.564 115.983 115.700 -0.468 0.000 2.567 455 S HA 0.459 4.928 4.470 -0.000 0.000 0.262 455 S C -0.851 173.527 174.600 -0.371 0.000 1.237 455 S CA -0.284 57.718 58.200 -0.329 0.000 1.093 455 S CB -0.130 62.955 63.200 -0.191 0.000 1.095 455 S HN 0.372 nan 8.310 nan 0.000 0.489 456 Y N 2.508 122.747 120.300 -0.102 0.000 2.402 456 Y HA 0.174 4.723 4.550 -0.001 0.000 0.333 456 Y C 0.907 176.863 175.900 0.093 0.000 1.076 456 Y CA -0.533 57.564 58.100 -0.005 0.000 1.299 456 Y CB 0.159 38.602 38.460 -0.028 0.000 1.197 456 Y HN 0.477 nan 8.280 nan 0.000 0.517 457 N N 1.922 120.770 118.700 0.247 0.000 2.518 457 N HA 0.071 4.811 4.740 -0.000 0.000 0.283 457 N C -1.020 174.669 175.510 0.298 0.000 1.119 457 N CA -0.740 52.439 53.050 0.215 0.000 0.983 457 N CB 0.488 39.040 38.487 0.107 0.000 1.139 457 N HN 0.529 nan 8.380 nan 0.000 0.465 458 D N 1.550 122.085 120.400 0.225 0.000 2.434 458 D HA -0.043 4.597 4.640 -0.000 0.000 0.252 458 D C 0.894 177.173 176.300 -0.035 0.000 1.185 458 D CA -0.029 53.966 54.000 -0.008 0.000 0.886 458 D CB 0.709 41.474 40.800 -0.059 0.000 1.148 458 D HN 0.216 nan 8.370 nan 0.000 0.483 459 V N 4.487 124.351 119.914 -0.082 0.000 2.469 459 V HA -0.229 3.891 4.120 -0.000 0.000 0.251 459 V C 2.192 178.242 176.094 -0.072 0.000 1.064 459 V CA 1.331 63.597 62.300 -0.058 0.000 1.066 459 V CB -0.509 31.269 31.823 -0.075 0.000 0.667 459 V HN 0.646 nan 8.190 nan 0.000 0.461 460 L N 0.599 121.756 121.223 -0.110 0.000 2.650 460 L HA 0.213 4.553 4.340 -0.000 0.000 0.235 460 L C 1.709 178.550 176.870 -0.048 0.000 1.149 460 L CA 0.688 55.479 54.840 -0.082 0.000 0.887 460 L CB -0.867 41.129 42.059 -0.105 0.000 1.021 460 L HN 0.535 nan 8.230 nan 0.000 0.441 461 G N 0.304 109.084 108.800 -0.034 0.000 2.321 461 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.287 461 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.287 461 G C 1.064 175.960 174.900 -0.007 0.000 1.018 461 G CA 0.450 45.544 45.100 -0.010 0.000 0.855 461 G HN 0.677 nan 8.290 nan 0.000 0.507 462 G N -0.746 108.045 108.800 -0.015 0.000 2.189 462 G HA2 -0.343 3.616 3.960 -0.000 0.000 0.267 462 G HA3 -0.343 3.616 3.960 -0.000 0.000 0.267 462 G C 1.367 176.264 174.900 -0.005 0.000 0.975 462 G CA 1.254 46.350 45.100 -0.006 0.000 0.644 462 G HN 2.027 nan 8.290 nan 0.000 0.537 463 I N -2.722 117.842 120.570 -0.009 0.000 2.756 463 I HA 0.242 4.412 4.170 -0.000 0.000 0.262 463 I C 1.423 177.542 176.117 0.003 0.000 1.225 463 I CA 0.998 62.300 61.300 0.003 0.000 1.472 463 I CB -0.107 37.898 38.000 0.009 0.000 1.094 463 I HN 0.091 nan 8.210 nan 0.000 0.454 464 L N 1.932 123.148 121.223 -0.012 0.000 3.094 464 L HA 0.326 4.666 4.340 -0.000 0.000 0.254 464 L C 0.105 176.971 176.870 -0.006 0.000 1.298 464 L CA -0.169 54.666 54.840 -0.008 0.000 1.050 464 L CB -1.338 40.706 42.059 -0.026 0.000 1.420 464 L HN 0.305 nan 8.230 nan 0.000 0.548 465 N N -1.239 117.462 118.700 0.003 0.000 2.693 465 N HA -0.203 4.537 4.740 -0.000 0.000 0.249 465 N C 0.880 176.400 175.510 0.017 0.000 1.119 465 N CA 0.763 53.822 53.050 0.015 0.000 0.717 465 N CB -0.882 37.621 38.487 0.028 0.000 1.071 465 N HN 0.573 nan 8.380 nan 0.000 0.555 466 G N 0.098 108.889 108.800 -0.014 0.000 2.651 466 G HA2 0.410 4.370 3.960 -0.000 0.000 0.260 466 G HA3 0.410 4.370 3.960 -0.000 0.000 0.260 466 G C 0.144 175.066 174.900 0.036 0.000 1.216 466 G CA -0.123 44.961 45.100 -0.025 0.000 0.913 466 G HN 0.432 nan 8.290 nan 0.000 0.535 467 N N -1.770 116.993 118.700 0.106 0.000 2.774 467 N HA 0.305 5.045 4.740 -0.000 0.000 0.264 467 N C -0.938 174.700 175.510 0.214 0.000 1.415 467 N CA -0.624 52.492 53.050 0.110 0.000 0.815 467 N CB 1.175 39.697 38.487 0.057 0.000 1.514 467 N HN 0.333 nan 8.380 nan 0.000 0.523 468 T N 0.856 115.462 114.554 0.087 0.000 2.913 468 T HA 0.270 4.619 4.350 -0.000 0.000 0.297 468 T C -0.052 174.497 174.700 -0.252 0.000 1.029 468 T CA -0.252 61.876 62.100 0.047 0.000 1.104 468 T CB 0.396 69.258 68.868 -0.010 0.000 0.964 468 T HN 0.369 nan 8.240 nan 0.000 0.532 469 L N 3.140 124.047 121.223 -0.526 0.000 2.287 469 L HA 0.443 4.782 4.340 -0.000 0.000 0.287 469 L C -0.118 176.523 176.870 -0.382 0.000 1.022 469 L CA -0.031 54.309 54.840 -0.833 0.000 0.814 469 L CB 1.338 42.411 42.059 -1.643 0.000 1.217 469 L HN 0.603 nan 8.230 nan 0.000 0.420 470 T N 4.733 119.120 114.554 -0.278 0.000 2.743 470 T HA 0.528 4.878 4.350 -0.000 0.000 0.292 470 T C -0.431 174.203 174.700 -0.110 0.000 0.972 470 T CA -0.319 61.689 62.100 -0.154 0.000 0.967 470 T CB 0.971 69.772 68.868 -0.112 0.000 0.926 470 T HN 0.325 nan 8.240 nan 0.000 0.459 471 V N 3.398 123.278 119.914 -0.056 0.000 2.417 471 V HA 0.731 4.851 4.120 -0.000 0.000 0.291 471 V C 0.833 176.914 176.094 -0.021 0.000 1.024 471 V CA -0.473 61.818 62.300 -0.016 0.000 0.861 471 V CB 1.675 33.544 31.823 0.075 0.000 0.985 471 V HN 1.002 nan 8.190 nan 0.000 0.436 472 G N 2.653 111.441 108.800 -0.020 0.000 2.782 472 G HA2 0.676 4.636 3.960 -0.000 0.000 0.201 472 G HA3 0.676 4.636 3.960 -0.000 0.000 0.201 472 G C -0.011 174.881 174.900 -0.014 0.000 1.374 472 G CA -0.208 44.880 45.100 -0.020 0.000 1.039 472 G HN 1.017 nan 8.290 nan 0.000 0.576 473 A N -1.504 121.310 122.820 -0.011 0.000 2.477 473 A HA 0.510 4.830 4.320 -0.000 0.000 0.246 473 A C 1.426 179.009 177.584 -0.002 0.000 1.078 473 A CA 1.079 53.111 52.037 -0.008 0.000 0.770 473 A CB -0.488 18.508 19.000 -0.006 0.000 1.011 473 A HN 2.508 nan 8.150 nan 0.000 0.494 474 G N 0.955 109.754 108.800 -0.002 0.000 2.198 474 G HA2 0.159 4.118 3.960 -0.000 0.000 0.260 474 G HA3 0.159 4.118 3.960 -0.000 0.000 0.260 474 G C 1.575 176.480 174.900 0.009 0.000 1.025 474 G CA 1.014 46.117 45.100 0.006 0.000 0.769 474 G HN 2.811 nan 8.290 nan 0.000 0.507 475 G N -1.766 107.033 108.800 -0.000 0.000 2.168 475 G HA2 0.138 4.097 3.960 -0.000 0.000 0.263 475 G HA3 0.138 4.097 3.960 -0.000 0.000 0.263 475 G C 0.798 175.699 174.900 0.002 0.000 0.977 475 G CA 1.255 46.353 45.100 -0.002 0.000 0.659 475 G HN 2.358 nan 8.290 nan 0.000 0.533 476 A N 0.039 122.863 122.820 0.006 0.000 2.404 476 A HA 0.807 5.126 4.320 -0.000 0.000 0.273 476 A C 0.779 178.363 177.584 -0.000 0.000 1.144 476 A CA 0.945 52.989 52.037 0.012 0.000 0.806 476 A CB 0.537 19.547 19.000 0.016 0.000 1.080 476 A HN 2.021 nan 8.150 nan 0.000 0.509 477 A N 2.976 125.798 122.820 0.003 0.000 2.310 477 A HA 0.615 4.935 4.320 -0.000 0.000 0.299 477 A C 0.682 178.280 177.584 0.024 0.000 1.147 477 A CA -0.383 51.647 52.037 -0.011 0.000 0.818 477 A CB 0.223 19.215 19.000 -0.014 0.000 1.096 477 A HN 0.897 nan 8.150 nan 0.000 0.495 478 S N 2.038 117.747 115.700 0.015 0.000 2.562 478 S HA 0.093 4.563 4.470 -0.000 0.000 0.281 478 S C 0.396 175.073 174.600 0.129 0.000 1.333 478 S CA -0.450 57.775 58.200 0.041 0.000 1.052 478 S CB 0.024 63.233 63.200 0.014 0.000 0.884 478 S HN 0.734 nan 8.310 nan 0.000 0.506 479 N N 2.059 120.803 118.700 0.073 0.000 2.441 479 N HA 0.429 5.169 4.740 -0.000 0.000 0.251 479 N C -0.415 175.165 175.510 0.117 0.000 1.242 479 N CA 0.228 53.284 53.050 0.011 0.000 0.898 479 N CB -0.118 38.343 38.487 -0.043 0.000 1.100 479 N HN 0.589 nan 8.380 nan 0.000 0.443 480 F N -2.923 116.965 119.950 -0.105 0.000 2.711 480 F HA 0.546 5.073 4.527 0.000 0.000 0.313 480 F C -0.536 175.213 175.800 -0.085 0.000 1.141 480 F CA -1.157 56.795 58.000 -0.079 0.000 0.941 480 F CB 0.955 39.911 39.000 -0.073 0.000 1.349 480 F HN 0.029 nan 8.300 nan 0.000 0.464 481 T N 3.025 117.628 114.554 0.083 0.000 2.749 481 T HA 0.455 4.805 4.350 -0.000 0.000 0.287 481 T C -0.925 173.851 174.700 0.126 0.000 0.970 481 T CA -0.326 61.767 62.100 -0.013 0.000 0.980 481 T CB 1.104 69.981 68.868 0.015 0.000 0.924 481 T HN 0.634 nan 8.240 nan 0.000 0.456 482 L N 4.585 125.832 121.223 0.039 0.000 2.315 482 L HA 0.599 4.939 4.340 -0.000 0.000 0.283 482 L C 0.605 177.523 176.870 0.080 0.000 1.089 482 L CA -0.365 54.559 54.840 0.141 0.000 0.833 482 L CB -0.346 41.762 42.059 0.082 0.000 1.170 482 L HN 0.780 nan 8.230 nan 0.000 0.442 483 A N 8.052 130.927 122.820 0.093 0.000 2.547 483 A HA 0.338 4.658 4.320 -0.000 0.000 0.233 483 A C -2.184 175.433 177.584 0.055 0.000 1.067 483 A CA -0.784 51.292 52.037 0.064 0.000 0.763 483 A CB -0.961 18.075 19.000 0.060 0.000 1.007 483 A HN 0.688 nan 8.150 nan 0.000 0.506 484 P HA 0.098 nan 4.420 nan 0.000 0.262 484 P C 0.946 178.278 177.300 0.053 0.000 1.182 484 P CA 1.661 64.790 63.100 0.048 0.000 0.761 484 P CB 0.397 32.122 31.700 0.041 0.000 0.795 485 G N 2.274 111.112 108.800 0.064 0.000 2.189 485 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.267 485 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.267 485 G C 0.615 175.549 174.900 0.058 0.000 0.975 485 G CA 0.028 45.169 45.100 0.069 0.000 0.644 485 G HN 0.907 nan 8.290 nan 0.000 0.537 486 G N -0.448 108.385 108.800 0.055 0.000 2.380 486 G HA2 0.521 4.480 3.960 -0.000 0.000 0.242 486 G HA3 0.521 4.480 3.960 -0.000 0.000 0.242 486 G C -0.087 174.828 174.900 0.024 0.000 1.298 486 G CA 1.090 46.216 45.100 0.044 0.000 0.878 486 G HN 0.824 nan 8.290 nan 0.000 0.542 487 T N 0.477 115.016 114.554 -0.025 0.000 3.109 487 T HA 0.636 4.986 4.350 -0.000 0.000 0.311 487 T C -0.299 174.287 174.700 -0.190 0.000 1.011 487 T CA 0.067 62.116 62.100 -0.085 0.000 1.026 487 T CB 1.621 70.449 68.868 -0.067 0.000 1.047 487 T HN 1.131 nan 8.240 nan 0.000 0.448 488 A N 2.440 125.040 122.820 -0.366 0.000 2.498 488 A HA 0.945 5.265 4.320 -0.000 0.000 0.298 488 A C -1.354 175.651 177.584 -0.966 0.000 1.075 488 A CA -0.738 50.886 52.037 -0.689 0.000 0.714 488 A CB 1.717 20.154 19.000 -0.939 0.000 1.299 488 A HN 0.660 nan 8.150 nan 0.000 0.407 489 V N 1.820 121.148 119.914 -0.976 0.000 2.623 489 V HA 0.566 4.686 4.120 -0.000 0.000 0.304 489 V C -1.273 174.431 176.094 -0.651 0.000 1.054 489 V CA -0.481 61.411 62.300 -0.681 0.000 0.882 489 V CB 1.550 33.170 31.823 -0.337 0.000 1.002 489 V HN 0.834 nan 8.190 nan 0.000 0.424 490 W N 3.913 125.158 121.300 -0.092 0.000 2.819 490 W HA 0.762 5.422 4.660 -0.000 0.000 0.337 490 W C -0.303 176.138 176.519 -0.130 0.000 1.077 490 W CA -0.601 56.690 57.345 -0.090 0.000 1.226 490 W CB 2.188 31.568 29.460 -0.134 0.000 1.419 490 W HN 0.729 nan 8.180 nan 0.000 0.502 491 Q N 1.255 121.117 119.800 0.104 0.000 2.534 491 Q HA 0.670 5.010 4.340 -0.000 0.000 0.290 491 Q C -2.324 173.747 176.000 0.118 0.000 0.991 491 Q CA -1.057 54.775 55.803 0.048 0.000 0.783 491 Q CB 3.489 32.254 28.738 0.045 0.000 1.470 491 Q HN 0.379 nan 8.270 nan 0.000 0.406 492 Y N 0.636 120.922 120.300 -0.023 0.000 2.441 492 Y HA 0.564 5.114 4.550 -0.000 0.000 0.334 492 Y C -1.737 174.192 175.900 0.049 0.000 1.061 492 Y CA -0.054 58.075 58.100 0.049 0.000 1.032 492 Y CB 2.389 40.864 38.460 0.025 0.000 1.266 492 Y HN 0.936 nan 8.280 nan 0.000 0.441 493 T N 1.778 115.915 114.554 -0.694 0.000 2.893 493 T HA 0.939 5.289 4.350 -0.000 0.000 0.291 493 T C -0.649 173.661 174.700 -0.650 0.000 1.028 493 T CA -0.387 61.421 62.100 -0.487 0.000 0.995 493 T CB 2.082 70.817 68.868 -0.222 0.000 1.051 493 T HN 0.757 nan 8.240 nan 0.000 0.470 494 T N -0.760 113.600 114.554 -0.323 0.000 2.731 494 T HA 0.487 4.837 4.350 -0.000 0.000 0.300 494 T C -1.478 173.188 174.700 -0.057 0.000 1.283 494 T CA -1.090 60.914 62.100 -0.159 0.000 1.005 494 T CB 1.046 69.904 68.868 -0.016 0.000 1.420 494 T HN 0.630 nan 8.240 nan 0.000 0.503 495 D N 0.776 121.164 120.400 -0.021 0.000 2.341 495 D HA 0.505 5.145 4.640 -0.000 0.000 0.245 495 D C -0.077 176.221 176.300 -0.002 0.000 1.106 495 D CA -0.095 53.899 54.000 -0.010 0.000 0.905 495 D CB 1.287 42.086 40.800 -0.002 0.000 1.202 495 D HN 0.830 nan 8.370 nan 0.000 0.426 496 A N 0.980 123.789 122.820 -0.019 0.000 2.301 496 A HA 0.426 4.746 4.320 -0.000 0.000 0.312 496 A C 1.006 178.576 177.584 -0.024 0.000 1.182 496 A CA -0.498 51.516 52.037 -0.038 0.000 0.826 496 A CB 0.674 19.619 19.000 -0.091 0.000 1.134 496 A HN 0.553 nan 8.150 nan 0.000 0.501 497 T N -0.107 114.438 114.554 -0.014 0.000 3.039 497 T HA 0.088 4.437 4.350 -0.000 0.000 0.250 497 T C 0.813 175.522 174.700 0.015 0.000 1.052 497 T CA 1.027 63.131 62.100 0.007 0.000 1.125 497 T CB -0.257 68.619 68.868 0.013 0.000 0.908 497 T HN 0.568 nan 8.240 nan 0.000 0.473 498 T N 4.160 118.710 114.554 -0.007 0.000 2.889 498 T HA 0.421 4.771 4.350 -0.000 0.000 0.291 498 T C -2.748 171.954 174.700 0.003 0.000 0.995 498 T CA -1.363 60.739 62.100 0.003 0.000 1.092 498 T CB 1.160 70.012 68.868 -0.026 0.000 0.954 498 T HN 0.041 nan 8.240 nan 0.000 0.506 499 P HA 0.213 nan 4.420 nan 0.000 0.267 499 P C -0.797 176.531 177.300 0.047 0.000 1.205 499 P CA -0.132 63.065 63.100 0.162 0.000 0.765 499 P CB 0.215 32.112 31.700 0.328 0.000 0.828 500 I N 3.877 124.411 120.570 -0.060 0.000 2.499 500 I HA 0.386 4.556 4.170 -0.000 0.000 0.288 500 I C 0.130 176.285 176.117 0.063 0.000 1.048 500 I CA -0.840 60.363 61.300 -0.161 0.000 1.062 500 I CB 1.639 39.206 38.000 -0.722 0.000 1.238 500 I HN 0.224 nan 8.210 nan 0.000 0.426 501 I N 4.361 125.046 120.570 0.191 0.000 2.342 501 I HA 0.347 4.517 4.170 -0.000 0.000 0.291 501 I C 1.306 177.564 176.117 0.234 0.000 1.010 501 I CA 0.104 61.539 61.300 0.224 0.000 1.308 501 I CB 1.803 39.890 38.000 0.145 0.000 1.400 501 I HN 0.836 nan 8.210 nan 0.000 0.488 502 G N 4.936 113.693 108.800 -0.072 0.000 2.709 502 G HA2 0.085 4.045 3.960 -0.000 0.000 0.208 502 G HA3 0.085 4.045 3.960 -0.000 0.000 0.208 502 G C 0.257 175.055 174.900 -0.170 0.000 1.129 502 G CA 0.114 45.007 45.100 -0.346 0.000 0.793 502 G HN 0.666 nan 8.290 nan 0.000 0.524 503 N N -1.722 116.772 118.700 -0.344 0.000 2.935 503 N HA 0.413 5.152 4.740 -0.000 0.000 0.248 503 N C -2.158 173.060 175.510 -0.488 0.000 1.276 503 N CA -0.558 52.332 53.050 -0.266 0.000 0.906 503 N CB 2.213 40.712 38.487 0.019 0.000 1.564 503 N HN -0.137 nan 8.380 nan 0.000 0.500 504 V N 0.631 120.251 119.914 -0.491 0.000 2.841 504 V HA 0.898 5.018 4.120 -0.000 0.000 0.310 504 V C -0.122 175.945 176.094 -0.044 0.000 1.090 504 V CA -0.459 61.644 62.300 -0.328 0.000 0.930 504 V CB 1.707 33.263 31.823 -0.445 0.000 1.014 504 V HN 0.814 nan 8.190 nan 0.000 0.425 505 G N 4.055 112.873 108.800 0.030 0.000 2.753 505 G HA2 0.723 4.683 3.960 -0.000 0.000 0.297 505 G HA3 0.723 4.683 3.960 -0.000 0.000 0.297 505 G C -3.303 171.670 174.900 0.122 0.000 1.430 505 G CA -1.204 43.964 45.100 0.114 0.000 1.040 505 G HN 0.489 nan 8.290 nan 0.000 0.530 506 P HA 0.212 nan 4.420 nan 0.000 0.274 506 P C 0.209 177.629 177.300 0.201 0.000 1.256 506 P CA -0.377 62.805 63.100 0.138 0.000 0.795 506 P CB 1.311 33.059 31.700 0.080 0.000 1.038 507 M N 0.124 119.763 119.600 0.065 0.000 2.419 507 M HA 0.300 4.780 4.480 -0.000 0.000 0.252 507 M C 0.427 176.395 176.300 -0.554 0.000 1.143 507 M CA 0.270 55.534 55.300 -0.061 0.000 0.985 507 M CB -0.694 31.931 32.600 0.042 0.000 1.489 507 M HN 0.463 nan 8.290 nan 0.000 0.484 508 M N 0.857 120.188 119.600 -0.448 0.000 2.298 508 M HA 0.577 5.057 4.480 -0.000 0.000 0.255 508 M C -2.237 173.934 176.300 -0.215 0.000 1.021 508 M CA -0.153 54.888 55.300 -0.431 0.000 0.968 508 M CB 1.854 34.304 32.600 -0.249 0.000 2.037 508 M HN 0.056 nan 8.290 nan 0.000 0.478 509 A N 3.747 126.480 122.820 -0.144 0.000 2.586 509 A HA 0.649 4.968 4.320 -0.000 0.000 0.291 509 A C -1.753 175.846 177.584 0.024 0.000 1.062 509 A CA -0.970 51.062 52.037 -0.008 0.000 0.666 509 A CB 1.648 20.697 19.000 0.082 0.000 1.281 509 A HN 0.878 nan 8.150 nan 0.000 0.421 510 K N 0.208 120.617 120.400 0.014 0.000 2.102 510 K HA 0.621 4.941 4.320 -0.000 0.000 0.244 510 K C -2.638 173.958 176.600 -0.006 0.000 1.021 510 K CA -1.515 54.776 56.287 0.007 0.000 0.913 510 K CB -0.033 32.466 32.500 -0.002 0.000 1.062 510 K HN 0.255 nan 8.250 nan 0.000 0.485 511 P HA -0.065 nan 4.420 nan 0.000 0.263 511 P C 0.444 177.703 177.300 -0.067 0.000 1.175 511 P CA 1.497 64.546 63.100 -0.086 0.000 0.761 511 P CB 0.481 32.128 31.700 -0.088 0.000 0.794 512 G N 0.964 109.710 108.800 -0.089 0.000 2.232 512 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.226 512 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.226 512 G C 0.119 174.993 174.900 -0.044 0.000 0.996 512 G CA -0.197 44.866 45.100 -0.063 0.000 0.626 512 G HN 0.535 nan 8.290 nan 0.000 0.509 513 V N 2.271 122.169 119.914 -0.027 0.000 2.775 513 V HA 0.488 4.608 4.120 -0.000 0.000 0.299 513 V C 0.972 177.064 176.094 -0.003 0.000 1.062 513 V CA 0.579 62.877 62.300 -0.004 0.000 1.063 513 V CB 1.480 33.321 31.823 0.029 0.000 0.994 513 V HN 0.327 nan 8.190 nan 0.000 0.483 514 T N 5.891 120.442 114.554 -0.004 0.000 2.780 514 T HA 0.508 4.858 4.350 -0.000 0.000 0.294 514 T C -0.242 174.471 174.700 0.021 0.000 0.949 514 T CA 0.001 62.099 62.100 -0.003 0.000 1.074 514 T CB 0.638 69.495 68.868 -0.018 0.000 0.910 514 T HN 0.323 nan 8.240 nan 0.000 0.501 515 I N 2.521 123.107 120.570 0.026 0.000 2.577 515 I HA 0.350 4.520 4.170 -0.000 0.000 0.305 515 I C 0.431 176.532 176.117 -0.027 0.000 0.986 515 I CA -0.110 61.212 61.300 0.037 0.000 1.189 515 I CB 1.995 40.026 38.000 0.052 0.000 1.355 515 I HN 0.534 nan 8.210 nan 0.000 0.476 516 T N 6.674 121.210 114.554 -0.030 0.000 2.770 516 T HA 0.619 4.969 4.350 -0.000 0.000 0.283 516 T C -0.338 174.287 174.700 -0.125 0.000 0.988 516 T CA -0.228 61.829 62.100 -0.071 0.000 0.957 516 T CB 0.393 69.242 68.868 -0.031 0.000 0.930 516 T HN 0.210 nan 8.240 nan 0.000 0.443 517 I N 3.413 123.867 120.570 -0.193 0.000 2.389 517 I HA 0.398 4.567 4.170 -0.000 0.000 0.288 517 I C -0.460 175.584 176.117 -0.121 0.000 0.999 517 I CA -0.802 60.347 61.300 -0.252 0.000 1.129 517 I CB 1.571 39.324 38.000 -0.411 0.000 1.288 517 I HN 0.440 nan 8.210 nan 0.000 0.444 518 D N 4.539 124.876 120.400 -0.104 0.000 2.350 518 D HA 0.765 5.404 4.640 -0.000 0.000 0.245 518 D C 0.171 176.358 176.300 -0.188 0.000 1.036 518 D CA -0.052 53.910 54.000 -0.063 0.000 0.848 518 D CB 2.558 43.290 40.800 -0.114 0.000 1.307 518 D HN 0.784 nan 8.370 nan 0.000 0.469 519 G N 0.746 109.372 108.800 -0.290 0.000 2.539 519 G HA2 0.336 4.295 3.960 -0.000 0.000 0.138 519 G HA3 0.336 4.295 3.960 -0.000 0.000 0.138 519 G C -1.252 173.352 174.900 -0.492 0.000 1.148 519 G CA -0.515 44.324 45.100 -0.435 0.000 1.057 519 G HN 0.290 nan 8.290 nan 0.000 0.511 520 R N -0.984 119.161 120.500 -0.591 0.000 2.739 520 R HA 0.607 4.947 4.340 -0.000 0.000 0.271 520 R C 0.438 176.408 176.300 -0.550 0.000 1.010 520 R CA -0.038 55.803 56.100 -0.431 0.000 0.897 520 R CB 1.192 31.487 30.300 -0.008 0.000 1.236 520 R HN 2.183 nan 8.270 nan 0.000 0.466 521 G N 0.825 109.437 108.800 -0.314 0.000 2.147 521 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.244 521 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.244 521 G C 0.592 175.523 174.900 0.050 0.000 1.005 521 G CA 0.565 45.595 45.100 -0.117 0.000 0.713 521 G HN 0.574 nan 8.290 nan 0.000 0.515 522 F N 0.887 120.861 119.950 0.040 0.000 2.367 522 F HA 0.308 4.835 4.527 -0.001 0.000 0.298 522 F C 2.025 178.058 175.800 0.389 0.000 1.094 522 F CA 0.679 58.744 58.000 0.108 0.000 1.409 522 F CB 0.140 38.981 39.000 -0.265 0.000 1.064 522 F HN 0.835 nan 8.300 nan 0.000 0.528 523 G N 0.285 109.333 108.800 0.412 0.000 2.781 523 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.683 523 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.683 523 G C 0.372 175.525 174.900 0.423 0.000 1.390 523 G CA -0.328 44.974 45.100 0.337 0.000 0.850 523 G HN 0.105 nan 8.290 nan 0.000 0.557 524 S N 0.140 115.978 115.700 0.230 0.000 2.395 524 S HA 0.259 4.729 4.470 -0.000 0.000 0.225 524 S C 1.718 176.382 174.600 0.108 0.000 1.027 524 S CA 1.291 59.606 58.200 0.191 0.000 0.965 524 S CB -0.124 63.133 63.200 0.096 0.000 0.812 524 S HN 1.627 nan 8.310 nan 0.000 0.482 525 G N 1.589 110.367 108.800 -0.036 0.000 2.415 525 G HA2 0.355 4.315 3.960 -0.000 0.000 0.269 525 G HA3 0.355 4.315 3.960 -0.000 0.000 0.269 525 G C -0.485 174.011 174.900 -0.673 0.000 1.209 525 G CA -0.541 44.426 45.100 -0.222 0.000 0.835 525 G HN 0.247 nan 8.290 nan 0.000 0.534 526 K N 1.497 121.460 120.400 -0.728 0.000 2.447 526 K HA 0.264 4.583 4.320 -0.000 0.000 0.281 526 K C 1.005 176.861 176.600 -1.241 0.000 1.031 526 K CA 0.389 55.963 56.287 -1.188 0.000 1.019 526 K CB 0.228 32.446 32.500 -0.470 0.000 0.918 526 K HN 0.510 nan 8.250 nan 0.000 0.476 527 G N 2.299 109.876 108.800 -2.039 0.000 3.271 527 G HA2 0.305 4.265 3.960 -0.000 0.000 0.174 527 G HA3 0.305 4.265 3.960 -0.000 0.000 0.174 527 G C -0.884 173.745 174.900 -0.452 0.000 1.385 527 G CA -0.289 44.246 45.100 -0.941 0.000 0.979 527 G HN 0.570 nan 8.290 nan 0.000 0.610 528 T N -0.402 114.094 114.554 -0.097 0.000 2.912 528 T HA 0.553 4.903 4.350 -0.000 0.000 0.299 528 T C -1.091 173.579 174.700 -0.050 0.000 1.052 528 T CA -0.242 61.788 62.100 -0.117 0.000 0.996 528 T CB 2.158 70.867 68.868 -0.265 0.000 1.070 528 T HN 0.298 nan 8.240 nan 0.000 0.465 529 V N 3.055 122.877 119.914 -0.153 0.000 2.495 529 V HA 0.481 4.601 4.120 -0.000 0.000 0.298 529 V C -1.331 174.591 176.094 -0.287 0.000 1.031 529 V CA -0.897 61.302 62.300 -0.168 0.000 0.871 529 V CB 1.139 32.890 31.823 -0.121 0.000 0.988 529 V HN 0.829 nan 8.190 nan 0.000 0.432 530 Y N 3.884 124.128 120.300 -0.094 0.000 2.331 530 Y HA 0.604 5.154 4.550 -0.000 0.000 0.338 530 Y C -0.393 175.416 175.900 -0.152 0.000 0.992 530 Y CA -0.589 57.495 58.100 -0.027 0.000 1.121 530 Y CB 1.465 39.921 38.460 -0.007 0.000 1.184 530 Y HN 0.515 nan 8.280 nan 0.000 0.469 531 F N 2.506 122.501 119.950 0.076 0.000 2.347 531 F HA 0.534 5.060 4.527 -0.000 0.000 0.366 531 F C 0.986 176.909 175.800 0.206 0.000 1.107 531 F CA -0.335 57.678 58.000 0.021 0.000 1.058 531 F CB 0.959 39.812 39.000 -0.244 0.000 1.236 531 F HN 0.801 nan 8.300 nan 0.000 0.456 532 G N 2.599 111.664 108.800 0.441 0.000 2.591 532 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.298 532 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.298 532 G C 1.025 176.092 174.900 0.278 0.000 1.195 532 G CA 0.579 45.905 45.100 0.377 0.000 0.989 532 G HN 0.802 nan 8.290 nan 0.000 0.551 533 T N -1.791 112.920 114.554 0.261 0.000 3.069 533 T HA 0.443 4.793 4.350 -0.000 0.000 0.252 533 T C 0.919 175.809 174.700 0.318 0.000 1.053 533 T CA 1.260 63.506 62.100 0.245 0.000 0.964 533 T CB 0.190 69.145 68.868 0.145 0.000 1.005 533 T HN 0.722 nan 8.240 nan 0.000 0.532 534 T N 3.320 118.046 114.554 0.286 0.000 2.814 534 T HA 0.599 4.949 4.350 -0.000 0.000 0.297 534 T C 0.201 174.993 174.700 0.154 0.000 0.956 534 T CA -0.435 61.777 62.100 0.188 0.000 1.123 534 T CB 0.775 69.714 68.868 0.118 0.000 0.902 534 T HN 0.506 nan 8.240 nan 0.000 0.528 535 A N 3.155 125.984 122.820 0.016 0.000 2.290 535 A HA 0.706 5.026 4.320 -0.000 0.000 0.310 535 A C -0.015 177.479 177.584 -0.151 0.000 1.202 535 A CA -0.744 51.139 52.037 -0.255 0.000 0.837 535 A CB 0.738 19.568 19.000 -0.283 0.000 1.139 535 A HN 0.844 nan 8.150 nan 0.000 0.509 536 V N 2.412 122.234 119.914 -0.154 0.000 2.588 536 V HA 0.921 5.041 4.120 -0.000 0.000 0.304 536 V C -0.234 175.804 176.094 -0.093 0.000 1.042 536 V CA 0.580 62.832 62.300 -0.079 0.000 0.877 536 V CB 1.521 33.337 31.823 -0.013 0.000 0.996 536 V HN 1.510 nan 8.190 nan 0.000 0.425 537 T N 2.153 116.658 114.554 -0.082 0.000 2.778 537 T HA 0.909 5.259 4.350 -0.000 0.000 0.293 537 T C 0.773 175.434 174.700 -0.064 0.000 1.144 537 T CA 0.274 62.321 62.100 -0.087 0.000 1.010 537 T CB 1.002 69.802 68.868 -0.113 0.000 1.325 537 T HN 2.484 nan 8.240 nan 0.000 0.515 538 G N 1.046 109.801 108.800 -0.075 0.000 2.583 538 G HA2 -0.041 3.918 3.960 -0.000 0.000 0.292 538 G HA3 -0.041 3.918 3.960 -0.000 0.000 0.292 538 G C 1.276 176.153 174.900 -0.037 0.000 1.203 538 G CA 1.262 46.326 45.100 -0.060 0.000 0.987 538 G HN 1.901 nan 8.290 nan 0.000 0.554 539 A N -0.878 121.922 122.820 -0.033 0.000 2.067 539 A HA 0.112 4.431 4.320 -0.000 0.000 0.219 539 A C 1.927 179.499 177.584 -0.020 0.000 1.158 539 A CA 2.392 54.415 52.037 -0.024 0.000 0.661 539 A CB -0.428 18.556 19.000 -0.026 0.000 0.801 539 A HN 0.604 nan 8.150 nan 0.000 0.452 540 D N -0.187 120.198 120.400 -0.026 0.000 2.264 540 D HA 0.010 4.650 4.640 -0.000 0.000 0.208 540 D C 0.491 176.788 176.300 -0.006 0.000 0.966 540 D CA 0.591 54.575 54.000 -0.027 0.000 0.864 540 D CB -0.138 40.636 40.800 -0.042 0.000 0.933 540 D HN 0.461 nan 8.370 nan 0.000 0.499 541 I N 1.861 122.441 120.570 0.016 0.000 2.308 541 I HA -0.027 4.143 4.170 -0.000 0.000 0.293 541 I C 1.702 177.846 176.117 0.046 0.000 1.078 541 I CA -0.375 60.960 61.300 0.058 0.000 1.292 541 I CB 1.584 39.660 38.000 0.127 0.000 1.423 541 I HN -0.187 nan 8.210 nan 0.000 0.493 542 V N 4.051 123.982 119.914 0.027 0.000 2.788 542 V HA 0.319 4.438 4.120 -0.000 0.000 0.251 542 V C 0.816 176.931 176.094 0.034 0.000 1.068 542 V CA 0.858 63.168 62.300 0.016 0.000 1.090 542 V CB -0.058 31.763 31.823 -0.003 0.000 0.710 542 V HN 0.683 nan 8.190 nan 0.000 0.467 543 A N -1.025 121.825 122.820 0.050 0.000 2.520 543 A HA 0.661 4.980 4.320 -0.000 0.000 0.298 543 A C -1.886 175.777 177.584 0.132 0.000 1.051 543 A CA -0.416 51.663 52.037 0.069 0.000 0.690 543 A CB 1.670 20.681 19.000 0.019 0.000 1.281 543 A HN 0.568 nan 8.150 nan 0.000 0.402 544 W N 2.878 124.164 121.300 -0.023 0.000 3.211 544 W HA 0.544 5.204 4.660 -0.001 0.000 0.335 544 W C -1.071 175.464 176.519 0.026 0.000 1.113 544 W CA -0.258 57.079 57.345 -0.014 0.000 1.235 544 W CB 1.755 31.195 29.460 -0.033 0.000 1.365 544 W HN 1.066 nan 8.180 nan 0.000 0.476 545 E N 1.370 121.628 120.200 0.097 0.000 2.435 545 E HA 0.198 4.548 4.350 -0.000 0.000 0.272 545 E C -0.683 175.998 176.600 0.134 0.000 1.031 545 E CA -0.568 55.948 56.400 0.194 0.000 0.872 545 E CB 1.413 31.176 29.700 0.104 0.000 1.588 545 E HN 0.155 nan 8.360 nan 0.000 0.460 546 D N -0.339 120.133 120.400 0.119 0.000 2.219 546 D HA -0.100 4.540 4.640 -0.000 0.000 0.205 546 D C 1.550 177.776 176.300 -0.123 0.000 0.970 546 D CA 2.288 56.324 54.000 0.059 0.000 0.851 546 D CB 0.258 41.071 40.800 0.022 0.000 0.943 546 D HN 0.529 nan 8.370 nan 0.000 0.488 547 T N -3.515 110.993 114.554 -0.076 0.000 3.023 547 T HA 0.146 4.495 4.350 -0.000 0.000 0.253 547 T C 0.484 175.185 174.700 0.001 0.000 1.038 547 T CA -0.530 61.471 62.100 -0.165 0.000 0.962 547 T CB 0.468 69.287 68.868 -0.083 0.000 1.018 547 T HN 0.073 nan 8.240 nan 0.000 0.521 548 Q N 0.504 120.380 119.800 0.127 0.000 2.295 548 Q HA 0.593 4.933 4.340 -0.000 0.000 0.268 548 Q C -2.113 173.813 176.000 -0.123 0.000 1.010 548 Q CA -1.029 54.816 55.803 0.069 0.000 0.856 548 Q CB 2.255 30.986 28.738 -0.010 0.000 1.349 548 Q HN 0.506 nan 8.270 nan 0.000 0.412 549 I N 0.706 121.078 120.570 -0.329 0.000 2.569 549 I HA 0.477 4.647 4.170 -0.000 0.000 0.296 549 I C -1.558 174.405 176.117 -0.257 0.000 1.028 549 I CA -0.143 60.888 61.300 -0.448 0.000 1.082 549 I CB 2.245 39.634 38.000 -1.019 0.000 1.264 549 I HN 0.610 nan 8.210 nan 0.000 0.429 550 Q N 5.383 125.099 119.800 -0.140 0.000 2.331 550 Q HA 0.705 5.044 4.340 -0.000 0.000 0.267 550 Q C -1.489 174.481 176.000 -0.051 0.000 1.006 550 Q CA -0.847 54.905 55.803 -0.085 0.000 0.818 550 Q CB 2.821 31.529 28.738 -0.049 0.000 1.276 550 Q HN 0.688 nan 8.270 nan 0.000 0.450 551 V N 2.618 122.506 119.914 -0.043 0.000 2.841 551 V HA 0.408 4.528 4.120 -0.000 0.000 0.310 551 V C -1.422 174.674 176.094 0.004 0.000 1.090 551 V CA -0.771 61.527 62.300 -0.004 0.000 0.930 551 V CB 2.240 34.067 31.823 0.007 0.000 1.014 551 V HN 0.660 nan 8.190 nan 0.000 0.425 552 K N 5.865 126.252 120.400 -0.021 0.000 2.276 552 K HA 0.492 4.812 4.320 -0.000 0.000 0.283 552 K C -0.339 176.159 176.600 -0.170 0.000 1.044 552 K CA -0.209 56.037 56.287 -0.068 0.000 0.944 552 K CB 1.080 33.536 32.500 -0.075 0.000 1.012 552 K HN 0.600 nan 8.250 nan 0.000 0.472 553 I N 6.405 126.830 120.570 -0.243 0.000 2.668 553 I HA -0.002 4.168 4.170 -0.000 0.000 0.285 553 I C -1.479 174.317 176.117 -0.536 0.000 1.168 553 I CA -1.501 59.443 61.300 -0.594 0.000 1.424 553 I CB 0.136 37.942 38.000 -0.323 0.000 1.377 553 I HN 0.422 nan 8.210 nan 0.000 0.560 554 P HA 0.086 nan 4.420 nan 0.000 0.274 554 P C -0.790 176.322 177.300 -0.314 0.000 1.256 554 P CA -0.577 62.277 63.100 -0.410 0.000 0.795 554 P CB 0.808 32.276 31.700 -0.388 0.000 1.038 555 A N 1.532 124.240 122.820 -0.188 0.000 2.922 555 A HA 0.435 4.755 4.320 -0.000 0.000 0.298 555 A C 0.562 178.087 177.584 -0.097 0.000 1.588 555 A CA -0.418 51.545 52.037 -0.123 0.000 1.288 555 A CB -1.359 17.595 19.000 -0.077 0.000 1.130 555 A HN 0.382 nan 8.150 nan 0.000 0.557 556 V N -0.478 119.360 119.914 -0.127 0.000 2.975 556 V HA 0.714 4.834 4.120 -0.000 0.000 0.318 556 V C -2.598 173.522 176.094 0.044 0.000 1.077 556 V CA -2.620 59.650 62.300 -0.049 0.000 1.000 556 V CB 0.666 32.390 31.823 -0.166 0.000 1.066 556 V HN 0.485 nan 8.190 nan 0.000 0.452 557 P HA 0.268 nan 4.420 nan 0.000 0.268 557 P C 0.376 177.808 177.300 0.221 0.000 1.208 557 P CA 0.489 63.681 63.100 0.153 0.000 0.777 557 P CB 0.134 31.923 31.700 0.148 0.000 0.875 558 G N 0.654 109.544 108.800 0.150 0.000 2.491 558 G HA2 0.460 4.420 3.960 -0.000 0.000 0.238 558 G HA3 0.460 4.420 3.960 -0.000 0.000 0.238 558 G C 0.185 175.195 174.900 0.183 0.000 1.277 558 G CA 0.443 45.639 45.100 0.159 0.000 0.851 558 G HN 0.814 nan 8.290 nan 0.000 0.573 559 G N 0.094 109.019 108.800 0.207 0.000 2.356 559 G HA2 0.474 4.434 3.960 -0.000 0.000 0.288 559 G HA3 0.474 4.434 3.960 -0.000 0.000 0.288 559 G C -1.005 173.957 174.900 0.104 0.000 1.302 559 G CA -0.309 44.838 45.100 0.078 0.000 0.887 559 G HN 1.581 nan 8.290 nan 0.000 0.521 560 I N -2.135 118.401 120.570 -0.056 0.000 2.441 560 I HA 0.886 5.056 4.170 -0.000 0.000 0.295 560 I C -1.207 174.866 176.117 -0.073 0.000 0.994 560 I CA -1.230 60.113 61.300 0.071 0.000 1.144 560 I CB 1.682 39.709 38.000 0.045 0.000 1.314 560 I HN 0.524 nan 8.210 nan 0.000 0.445 561 Y N 2.669 123.115 120.300 0.242 0.000 2.524 561 Y HA 0.542 5.092 4.550 -0.000 0.000 0.344 561 Y C -0.411 175.616 175.900 0.213 0.000 1.012 561 Y CA -0.779 57.469 58.100 0.247 0.000 1.068 561 Y CB 1.463 40.135 38.460 0.353 0.000 1.249 561 Y HN 0.535 nan 8.280 nan 0.000 0.468 562 D N 2.151 122.727 120.400 0.295 0.000 2.210 562 D HA 0.424 5.063 4.640 -0.000 0.000 0.249 562 D C -0.506 175.860 176.300 0.109 0.000 1.062 562 D CA -0.002 54.105 54.000 0.178 0.000 0.891 562 D CB 1.845 42.709 40.800 0.106 0.000 1.186 562 D HN 0.365 nan 8.370 nan 0.000 0.432 563 I N 1.419 122.002 120.570 0.023 0.000 2.493 563 I HA 0.420 4.590 4.170 -0.000 0.000 0.298 563 I C 0.269 176.352 176.117 -0.057 0.000 0.998 563 I CA -0.643 60.550 61.300 -0.179 0.000 1.137 563 I CB 1.814 39.615 38.000 -0.331 0.000 1.310 563 I HN 0.022 nan 8.210 nan 0.000 0.445 564 R N 3.928 124.392 120.500 -0.060 0.000 2.668 564 R HA 0.701 5.041 4.340 -0.000 0.000 0.272 564 R C -2.009 174.329 176.300 0.063 0.000 1.019 564 R CA -0.577 55.539 56.100 0.027 0.000 0.894 564 R CB 2.555 32.881 30.300 0.042 0.000 1.228 564 R HN 0.392 nan 8.270 nan 0.000 0.460 565 V N 2.119 122.062 119.914 0.047 0.000 2.581 565 V HA 0.767 4.887 4.120 -0.000 0.000 0.303 565 V C -0.604 175.604 176.094 0.190 0.000 1.041 565 V CA -0.578 61.744 62.300 0.036 0.000 0.907 565 V CB 1.743 33.436 31.823 -0.218 0.000 0.994 565 V HN 0.890 nan 8.190 nan 0.000 0.442 566 A N 3.954 126.938 122.820 0.273 0.000 2.330 566 A HA 0.734 5.054 4.320 -0.000 0.000 0.313 566 A C -0.095 177.652 177.584 0.270 0.000 1.124 566 A CA -0.796 51.395 52.037 0.257 0.000 0.774 566 A CB 0.725 19.900 19.000 0.292 0.000 1.198 566 A HN 0.949 nan 8.150 nan 0.000 0.465 567 N N 1.887 120.741 118.700 0.257 0.000 2.263 567 N HA 0.298 5.038 4.740 -0.000 0.000 0.239 567 N C 1.069 176.604 175.510 0.041 0.000 1.317 567 N CA 0.170 53.376 53.050 0.261 0.000 0.909 567 N CB 0.322 38.964 38.487 0.258 0.000 1.171 567 N HN 0.580 nan 8.380 nan 0.000 0.492 568 A N -1.338 121.441 122.820 -0.069 0.000 2.178 568 A HA 0.106 4.426 4.320 -0.000 0.000 0.218 568 A C 1.850 179.400 177.584 -0.057 0.000 1.157 568 A CA 1.550 53.503 52.037 -0.140 0.000 0.689 568 A CB -1.173 17.719 19.000 -0.180 0.000 0.787 568 A HN 0.856 nan 8.150 nan 0.000 0.465 569 A N -2.335 120.482 122.820 -0.004 0.000 2.267 569 A HA 0.452 4.772 4.320 -0.000 0.000 0.213 569 A C 1.706 179.303 177.584 0.022 0.000 1.192 569 A CA 1.099 53.141 52.037 0.008 0.000 0.851 569 A CB -0.439 18.574 19.000 0.021 0.000 0.881 569 A HN 1.731 nan 8.150 nan 0.000 0.494 570 G N -1.772 107.050 108.800 0.038 0.000 2.176 570 G HA2 0.103 4.063 3.960 -0.000 0.000 0.232 570 G HA3 0.103 4.063 3.960 -0.000 0.000 0.232 570 G C 0.436 175.377 174.900 0.068 0.000 0.986 570 G CA 0.102 45.235 45.100 0.055 0.000 0.643 570 G HN 1.561 nan 8.290 nan 0.000 0.522 571 A N 0.305 123.167 122.820 0.071 0.000 2.454 571 A HA 0.826 5.146 4.320 -0.000 0.000 0.260 571 A C 0.768 178.409 177.584 0.095 0.000 1.106 571 A CA 1.152 53.231 52.037 0.069 0.000 0.780 571 A CB 0.498 19.537 19.000 0.065 0.000 1.044 571 A HN 2.037 nan 8.150 nan 0.000 0.498 572 A N 2.620 125.484 122.820 0.072 0.000 2.306 572 A HA 0.738 5.058 4.320 -0.000 0.000 0.330 572 A C 0.764 178.387 177.584 0.065 0.000 1.146 572 A CA 0.086 52.171 52.037 0.081 0.000 0.827 572 A CB 0.507 19.528 19.000 0.036 0.000 1.178 572 A HN 1.696 nan 8.150 nan 0.000 0.490 573 S N 1.466 117.214 115.700 0.081 0.000 2.671 573 S HA 0.321 4.790 4.470 -0.000 0.000 0.272 573 S C 0.330 174.955 174.600 0.042 0.000 1.174 573 S CA -0.542 57.701 58.200 0.072 0.000 1.004 573 S CB 0.117 63.387 63.200 0.117 0.000 1.077 573 S HN 0.930 nan 8.310 nan 0.000 0.553 574 N N 0.138 118.862 118.700 0.040 0.000 2.340 574 N HA 0.054 4.794 4.740 -0.000 0.000 0.236 574 N C -0.329 175.220 175.510 0.064 0.000 1.296 574 N CA -0.346 52.728 53.050 0.041 0.000 0.896 574 N CB -0.136 38.378 38.487 0.045 0.000 1.127 574 N HN 0.558 nan 8.380 nan 0.000 0.442 575 I N 0.705 121.304 120.570 0.049 0.000 2.441 575 I HA 0.057 4.227 4.170 -0.000 0.000 0.287 575 I C -0.363 175.815 176.117 0.102 0.000 1.049 575 I CA -0.324 61.010 61.300 0.057 0.000 1.381 575 I CB -0.341 37.673 38.000 0.023 0.000 1.409 575 I HN 0.543 nan 8.210 nan 0.000 0.523 576 Y N 6.544 126.847 120.300 0.006 0.000 2.402 576 Y HA 0.197 4.747 4.550 -0.000 0.000 0.332 576 Y C 0.425 176.356 175.900 0.051 0.000 0.960 576 Y CA -0.758 57.359 58.100 0.028 0.000 1.228 576 Y CB 0.499 38.965 38.460 0.009 0.000 1.120 576 Y HN 0.637 nan 8.280 nan 0.000 0.491 577 D N 2.232 122.633 120.400 0.002 0.000 2.506 577 D HA 0.125 4.765 4.640 -0.000 0.000 0.272 577 D C 0.017 176.395 176.300 0.130 0.000 1.214 577 D CA -0.472 53.573 54.000 0.075 0.000 1.067 577 D CB 0.786 41.591 40.800 0.009 0.000 1.117 577 D HN 0.581 nan 8.370 nan 0.000 0.578 578 N N -2.243 116.539 118.700 0.136 0.000 2.741 578 N HA -0.234 4.506 4.740 -0.000 0.000 0.250 578 N C -1.168 174.461 175.510 0.198 0.000 1.115 578 N CA 0.182 53.308 53.050 0.127 0.000 0.724 578 N CB -1.963 36.561 38.487 0.062 0.000 1.090 578 N HN 0.430 nan 8.380 nan 0.000 0.558 579 F N 1.590 121.648 119.950 0.180 0.000 2.456 579 F HA 0.304 4.831 4.527 -0.001 0.000 0.358 579 F C 0.777 176.712 175.800 0.225 0.000 1.095 579 F CA -0.319 57.806 58.000 0.209 0.000 1.216 579 F CB 0.646 39.793 39.000 0.245 0.000 1.125 579 F HN 0.143 nan 8.300 nan 0.000 0.549 580 E N 5.705 125.608 120.200 -0.495 0.000 2.109 580 E HA 0.376 4.725 4.350 -0.000 0.000 0.278 580 E C -1.454 175.007 176.600 -0.231 0.000 0.954 580 E CA -0.733 55.550 56.400 -0.195 0.000 0.779 580 E CB 1.151 30.747 29.700 -0.173 0.000 1.093 580 E HN 0.507 nan 8.360 nan 0.000 0.401 581 V N 6.455 126.470 119.914 0.168 0.000 2.461 581 V HA 0.178 4.297 4.120 -0.000 0.000 0.275 581 V C 0.414 176.563 176.094 0.092 0.000 1.047 581 V CA -0.364 62.044 62.300 0.180 0.000 0.955 581 V CB 0.782 32.734 31.823 0.216 0.000 0.988 581 V HN 0.684 nan 8.190 nan 0.000 0.471 582 L N 4.038 125.279 121.223 0.030 0.000 2.399 582 L HA 0.280 4.620 4.340 -0.000 0.000 0.266 582 L C 1.703 178.590 176.870 0.029 0.000 1.114 582 L CA -0.244 54.606 54.840 0.016 0.000 0.804 582 L CB 0.988 43.040 42.059 -0.011 0.000 1.146 582 L HN 0.666 nan 8.230 nan 0.000 0.451 583 T N 0.389 114.959 114.554 0.027 0.000 2.881 583 T HA 0.069 4.419 4.350 -0.000 0.000 0.270 583 T C 0.671 175.381 174.700 0.015 0.000 1.068 583 T CA 1.069 63.184 62.100 0.026 0.000 1.131 583 T CB -0.025 68.857 68.868 0.024 0.000 0.871 583 T HN 0.912 nan 8.240 nan 0.000 0.479 584 G N -0.001 108.804 108.800 0.009 0.000 2.356 584 G HA2 0.291 4.251 3.960 -0.000 0.000 0.281 584 G HA3 0.291 4.251 3.960 -0.000 0.000 0.281 584 G C -2.107 172.794 174.900 0.001 0.000 1.246 584 G CA -0.845 44.258 45.100 0.005 0.000 0.889 584 G HN 0.047 nan 8.290 nan 0.000 0.486 585 D N 0.771 121.172 120.400 0.001 0.000 2.368 585 D HA 0.356 4.996 4.640 -0.000 0.000 0.240 585 D C -0.081 176.219 176.300 -0.000 0.000 1.169 585 D CA 0.466 54.463 54.000 -0.004 0.000 0.906 585 D CB 0.877 41.676 40.800 -0.001 0.000 1.187 585 D HN 0.192 nan 8.370 nan 0.000 0.435 586 Q N 0.186 119.982 119.800 -0.008 0.000 2.301 586 Q HA 0.579 4.919 4.340 -0.000 0.000 0.267 586 Q C -0.331 175.677 176.000 0.014 0.000 1.035 586 Q CA -0.964 54.840 55.803 0.001 0.000 0.856 586 Q CB 2.324 31.050 28.738 -0.019 0.000 1.337 586 Q HN 0.333 nan 8.270 nan 0.000 0.450 587 V N -2.235 117.704 119.914 0.042 0.000 3.078 587 V HA 0.790 4.910 4.120 -0.000 0.000 0.311 587 V C -0.431 175.721 176.094 0.098 0.000 1.138 587 V CA -0.909 61.432 62.300 0.069 0.000 1.007 587 V CB 1.854 33.724 31.823 0.079 0.000 1.045 587 V HN 0.760 nan 8.190 nan 0.000 0.432 588 T N 1.589 116.227 114.554 0.140 0.000 2.779 588 T HA 0.699 5.049 4.350 -0.000 0.000 0.280 588 T C -0.847 173.949 174.700 0.160 0.000 0.987 588 T CA -0.319 61.886 62.100 0.176 0.000 0.966 588 T CB 1.110 70.124 68.868 0.244 0.000 0.933 588 T HN 0.844 nan 8.240 nan 0.000 0.442 589 V N 5.774 125.756 119.914 0.113 0.000 2.435 589 V HA 0.561 4.680 4.120 -0.000 0.000 0.290 589 V C 0.317 176.380 176.094 -0.052 0.000 1.030 589 V CA -1.090 61.180 62.300 -0.050 0.000 0.881 589 V CB 1.538 33.225 31.823 -0.227 0.000 0.983 589 V HN 0.921 nan 8.190 nan 0.000 0.445 590 R N 3.785 124.244 120.500 -0.069 0.000 2.265 590 R HA 0.442 4.781 4.340 -0.000 0.000 0.314 590 R C -1.372 174.848 176.300 -0.132 0.000 1.053 590 R CA 0.027 56.161 56.100 0.057 0.000 0.931 590 R CB 0.341 30.715 30.300 0.123 0.000 1.024 590 R HN 0.480 nan 8.270 nan 0.000 0.457 591 F N 4.152 124.186 119.950 0.140 0.000 2.415 591 F HA 0.441 4.968 4.527 -0.000 0.000 0.348 591 F C -0.359 175.546 175.800 0.175 0.000 1.119 591 F CA -0.697 57.400 58.000 0.161 0.000 1.069 591 F CB 1.892 41.046 39.000 0.257 0.000 1.124 591 F HN 0.126 nan 8.300 nan 0.000 0.472 592 V N 5.530 125.557 119.914 0.189 0.000 2.531 592 V HA 0.489 4.609 4.120 -0.000 0.000 0.301 592 V C -0.706 175.324 176.094 -0.106 0.000 1.034 592 V CA -0.840 61.426 62.300 -0.057 0.000 0.865 592 V CB 2.149 33.745 31.823 -0.378 0.000 0.995 592 V HN 0.677 nan 8.190 nan 0.000 0.424 593 I N 4.358 124.824 120.570 -0.174 0.000 2.533 593 I HA 0.562 4.731 4.170 -0.000 0.000 0.290 593 I C -0.618 175.439 176.117 -0.099 0.000 1.056 593 I CA -0.286 60.852 61.300 -0.270 0.000 1.057 593 I CB 1.994 39.535 38.000 -0.765 0.000 1.240 593 I HN 0.691 nan 8.210 nan 0.000 0.423 594 N N 5.456 124.118 118.700 -0.063 0.000 2.489 594 N HA 0.452 5.192 4.740 -0.000 0.000 0.284 594 N C -0.527 174.994 175.510 0.018 0.000 1.158 594 N CA -0.603 52.437 53.050 -0.017 0.000 0.965 594 N CB 0.512 38.988 38.487 -0.019 0.000 1.195 594 N HN 0.590 nan 8.380 nan 0.000 0.506 595 N N -0.913 117.778 118.700 -0.015 0.000 2.758 595 N HA -0.188 4.552 4.740 -0.000 0.000 0.248 595 N C -1.302 174.166 175.510 -0.071 0.000 1.076 595 N CA 0.679 53.709 53.050 -0.034 0.000 0.696 595 N CB -1.339 37.166 38.487 0.029 0.000 0.979 595 N HN 0.638 nan 8.380 nan 0.000 0.550 596 A N 0.098 122.849 122.820 -0.115 0.000 2.838 596 A HA 0.431 4.751 4.320 -0.000 0.000 0.337 596 A C 0.576 178.042 177.584 -0.198 0.000 1.383 596 A CA -0.231 51.612 52.037 -0.324 0.000 0.985 596 A CB 0.397 19.205 19.000 -0.321 0.000 1.157 596 A HN 0.116 nan 8.150 nan 0.000 0.497 597 T N 2.430 116.831 114.554 -0.254 0.000 2.901 597 T HA 0.470 4.820 4.350 -0.000 0.000 0.301 597 T C 0.690 175.420 174.700 0.050 0.000 1.012 597 T CA 0.935 63.001 62.100 -0.057 0.000 1.135 597 T CB 0.280 69.094 68.868 -0.091 0.000 0.936 597 T HN 0.849 nan 8.240 nan 0.000 0.539 598 T N 0.312 115.069 114.554 0.338 0.000 2.883 598 T HA 0.821 5.171 4.350 -0.000 0.000 0.296 598 T C -0.243 174.534 174.700 0.128 0.000 1.117 598 T CA -0.998 61.206 62.100 0.174 0.000 1.006 598 T CB 1.637 70.651 68.868 0.242 0.000 1.191 598 T HN 0.619 nan 8.240 nan 0.000 0.508 599 A N 1.097 123.952 122.820 0.059 0.000 2.246 599 A HA 0.726 5.046 4.320 -0.000 0.000 0.291 599 A C 0.151 177.753 177.584 0.029 0.000 1.103 599 A CA -0.999 51.059 52.037 0.035 0.000 0.844 599 A CB 0.179 19.192 19.000 0.022 0.000 1.136 599 A HN 1.083 nan 8.150 nan 0.000 0.500 600 L N 0.513 121.742 121.223 0.011 0.000 2.455 600 L HA 0.438 4.778 4.340 -0.000 0.000 0.272 600 L C 1.250 178.136 176.870 0.026 0.000 1.174 600 L CA 1.464 56.308 54.840 0.007 0.000 0.869 600 L CB 0.313 42.371 42.059 -0.002 0.000 1.130 600 L HN 1.396 nan 8.230 nan 0.000 0.474 601 G N 2.766 111.590 108.800 0.040 0.000 2.179 601 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.260 601 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.260 601 G C 0.088 175.033 174.900 0.075 0.000 0.977 601 G CA 0.443 45.576 45.100 0.056 0.000 0.641 601 G HN 0.702 nan 8.290 nan 0.000 0.533 602 Q N 0.063 119.911 119.800 0.079 0.000 2.282 602 Q HA 0.668 5.007 4.340 -0.000 0.000 0.260 602 Q C -0.121 175.937 176.000 0.096 0.000 0.964 602 Q CA -0.659 55.186 55.803 0.070 0.000 0.880 602 Q CB 0.723 29.479 28.738 0.030 0.000 1.286 602 Q HN 0.517 nan 8.270 nan 0.000 0.445 603 N N 0.792 119.522 118.700 0.050 0.000 2.571 603 N HA 0.525 5.265 4.740 -0.000 0.000 0.273 603 N C -1.730 173.523 175.510 -0.428 0.000 1.340 603 N CA -0.756 52.201 53.050 -0.154 0.000 0.789 603 N CB 2.183 40.653 38.487 -0.028 0.000 1.514 603 N HN 0.244 nan 8.380 nan 0.000 0.499 604 V N 1.484 120.752 119.914 -1.077 0.000 2.612 604 V HA 0.580 4.700 4.120 -0.000 0.000 0.301 604 V C -0.975 174.700 176.094 -0.697 0.000 1.046 604 V CA -0.153 61.674 62.300 -0.789 0.000 0.946 604 V CB 0.604 31.700 31.823 -1.213 0.000 1.003 604 V HN 0.488 nan 8.190 nan 0.000 0.459 605 F N 2.686 122.518 119.950 -0.197 0.000 2.650 605 F HA 0.657 5.183 4.527 -0.000 0.000 0.320 605 F C -0.371 175.392 175.800 -0.063 0.000 1.091 605 F CA -0.846 57.057 58.000 -0.161 0.000 0.962 605 F CB 1.770 40.659 39.000 -0.186 0.000 1.363 605 F HN 0.215 nan 8.300 nan 0.000 0.482 606 L N 1.330 122.563 121.223 0.017 0.000 2.386 606 L HA 0.734 5.073 4.340 -0.000 0.000 0.271 606 L C -1.093 175.668 176.870 -0.181 0.000 0.993 606 L CA 0.011 54.720 54.840 -0.219 0.000 0.819 606 L CB 1.916 43.709 42.059 -0.443 0.000 1.294 606 L HN 0.771 nan 8.230 nan 0.000 0.414 607 T N 2.473 116.933 114.554 -0.158 0.000 2.816 607 T HA 0.900 5.250 4.350 -0.000 0.000 0.299 607 T C -0.545 173.976 174.700 -0.297 0.000 1.230 607 T CA 0.180 62.198 62.100 -0.136 0.000 1.007 607 T CB 2.024 70.921 68.868 0.047 0.000 1.289 607 T HN 0.993 nan 8.240 nan 0.000 0.508 608 G N 1.179 109.596 108.800 -0.639 0.000 2.490 608 G HA2 0.323 4.283 3.960 -0.000 0.000 0.308 608 G HA3 0.323 4.283 3.960 -0.000 0.000 0.308 608 G C -0.586 173.500 174.900 -1.356 0.000 1.286 608 G CA -0.200 44.184 45.100 -1.192 0.000 0.825 608 G HN 0.752 nan 8.290 nan 0.000 0.479 609 N N -0.401 117.700 118.700 -0.999 0.000 2.322 609 N HA 0.203 4.943 4.740 -0.000 0.000 0.216 609 N C -0.367 175.018 175.510 -0.210 0.000 1.144 609 N CA -0.062 52.656 53.050 -0.553 0.000 0.830 609 N CB 1.062 39.526 38.487 -0.038 0.000 1.034 609 N HN 0.457 nan 8.380 nan 0.000 0.484 610 V N 0.189 119.978 119.914 -0.209 0.000 3.007 610 V HA 0.238 4.358 4.120 -0.000 0.000 0.311 610 V C 1.064 177.108 176.094 -0.083 0.000 1.120 610 V CA -0.473 61.775 62.300 -0.087 0.000 0.980 610 V CB 1.990 33.780 31.823 -0.054 0.000 1.033 610 V HN 0.326 nan 8.190 nan 0.000 0.429 611 S N 2.118 117.800 115.700 -0.030 0.000 2.399 611 S HA -0.173 4.296 4.470 -0.000 0.000 0.231 611 S C 1.290 175.873 174.600 -0.029 0.000 1.022 611 S CA 1.633 59.821 58.200 -0.021 0.000 0.983 611 S CB -0.296 62.913 63.200 0.015 0.000 0.803 611 S HN 0.844 nan 8.310 nan 0.000 0.480 612 E N 0.817 121.002 120.200 -0.026 0.000 2.204 612 E HA 0.048 4.397 4.350 -0.000 0.000 0.195 612 E C 1.193 177.767 176.600 -0.043 0.000 0.990 612 E CA 0.540 56.929 56.400 -0.018 0.000 0.821 612 E CB -0.208 29.491 29.700 -0.002 0.000 0.750 612 E HN 0.315 nan 8.360 nan 0.000 0.477 613 L N -1.176 119.991 121.223 -0.094 0.000 2.667 613 L HA 0.332 4.671 4.340 -0.000 0.000 0.232 613 L C 1.140 177.928 176.870 -0.136 0.000 1.138 613 L CA 0.797 55.548 54.840 -0.148 0.000 0.921 613 L CB 0.223 42.139 42.059 -0.238 0.000 1.180 613 L HN 0.222 nan 8.230 nan 0.000 0.487 614 G N 0.017 108.764 108.800 -0.089 0.000 2.141 614 G HA2 -0.335 3.624 3.960 -0.000 0.000 0.242 614 G HA3 -0.335 3.624 3.960 -0.000 0.000 0.242 614 G C 0.638 175.510 174.900 -0.047 0.000 0.982 614 G CA 0.123 45.193 45.100 -0.050 0.000 0.662 614 G HN 0.433 nan 8.290 nan 0.000 0.527 615 N N -1.532 117.100 118.700 -0.114 0.000 2.705 615 N HA -0.243 4.497 4.740 -0.000 0.000 0.255 615 N C 0.928 176.483 175.510 0.076 0.000 1.008 615 N CA 1.248 54.242 53.050 -0.094 0.000 0.742 615 N CB -1.167 37.324 38.487 0.006 0.000 0.906 615 N HN 1.012 nan 8.380 nan 0.000 0.541 616 W N -3.111 118.245 121.300 0.093 0.000 2.902 616 W HA -0.270 4.389 4.660 -0.001 0.000 0.278 616 W C 0.377 177.020 176.519 0.206 0.000 1.066 616 W CA 0.359 57.802 57.345 0.163 0.000 0.570 616 W CB -1.155 28.359 29.460 0.090 0.000 2.092 616 W HN 0.360 nan 8.180 nan 0.000 1.423 617 D N 0.756 121.322 120.400 0.277 0.000 2.313 617 D HA 0.171 4.811 4.640 -0.000 0.000 0.239 617 D C -0.488 175.874 176.300 0.103 0.000 1.142 617 D CA -2.165 51.950 54.000 0.192 0.000 0.847 617 D CB 1.209 42.071 40.800 0.105 0.000 1.082 617 D HN -0.171 nan 8.370 nan 0.000 0.480 618 P HA -0.134 nan 4.420 nan 0.000 0.219 618 P C 0.537 177.730 177.300 -0.179 0.000 1.146 618 P CA 0.780 63.798 63.100 -0.136 0.000 0.808 618 P CB 0.425 32.006 31.700 -0.199 0.000 0.779 619 N N -0.438 118.205 118.700 -0.095 0.000 2.459 619 N HA -0.056 4.683 4.740 -0.000 0.000 0.181 619 N C 1.012 176.477 175.510 -0.075 0.000 1.046 619 N CA 0.686 53.676 53.050 -0.101 0.000 0.904 619 N CB -0.466 37.991 38.487 -0.050 0.000 0.964 619 N HN 0.112 nan 8.380 nan 0.000 0.444 620 N N -0.165 118.507 118.700 -0.046 0.000 2.235 620 N HA 0.210 4.949 4.740 -0.000 0.000 0.231 620 N C -0.528 174.975 175.510 -0.011 0.000 1.177 620 N CA -0.084 52.956 53.050 -0.017 0.000 0.874 620 N CB 0.616 39.102 38.487 -0.002 0.000 1.097 620 N HN 0.083 nan 8.380 nan 0.000 0.518 621 A N 0.789 123.584 122.820 -0.042 0.000 2.425 621 A HA 0.318 4.638 4.320 -0.000 0.000 0.242 621 A C 0.376 178.036 177.584 0.127 0.000 1.077 621 A CA -0.111 51.926 52.037 0.001 0.000 0.781 621 A CB 0.376 19.335 19.000 -0.068 0.000 1.020 621 A HN 0.070 nan 8.150 nan 0.000 0.494 622 I N 1.620 122.235 120.570 0.075 0.000 2.416 622 I HA 0.533 4.703 4.170 -0.000 0.000 0.288 622 I C 1.030 177.084 176.117 -0.104 0.000 1.051 622 I CA 1.357 62.672 61.300 0.025 0.000 1.375 622 I CB -0.419 37.556 38.000 -0.041 0.000 1.407 622 I HN 1.036 nan 8.210 nan 0.000 0.516 623 G N 8.496 117.155 108.800 -0.235 0.000 2.278 623 G HA2 0.057 4.017 3.960 -0.000 0.000 0.265 623 G HA3 0.057 4.017 3.960 -0.000 0.000 0.265 623 G C -3.089 171.553 174.900 -0.431 0.000 1.329 623 G CA -0.850 43.784 45.100 -0.776 0.000 1.017 623 G HN 0.423 nan 8.290 nan 0.000 0.472 624 P HA 0.319 nan 4.420 nan 0.000 0.268 624 P C 0.267 177.122 177.300 -0.741 0.000 1.205 624 P CA 0.142 62.628 63.100 -1.024 0.000 0.771 624 P CB 0.374 31.783 31.700 -0.484 0.000 0.858 625 M N 1.752 120.961 119.600 -0.652 0.000 2.198 625 M HA 0.149 4.629 4.480 -0.000 0.000 0.315 625 M C 0.281 176.648 176.300 0.111 0.000 1.134 625 M CA 0.241 55.296 55.300 -0.408 0.000 1.171 625 M CB -0.010 32.531 32.600 -0.098 0.000 1.413 625 M HN 0.272 nan 8.290 nan 0.000 0.467 626 Y N 1.176 121.450 120.300 -0.044 0.000 2.374 626 Y HA 0.270 4.820 4.550 -0.001 0.000 0.322 626 Y C 0.611 176.295 175.900 -0.360 0.000 1.275 626 Y CA -1.426 56.498 58.100 -0.293 0.000 1.307 626 Y CB 0.568 38.651 38.460 -0.628 0.000 1.282 626 Y HN 0.710 nan 8.280 nan 0.000 0.509 627 N N -1.542 117.078 118.700 -0.133 0.000 2.330 627 N HA 0.087 4.827 4.740 -0.000 0.000 0.249 627 N C -0.528 174.941 175.510 -0.068 0.000 1.413 627 N CA -0.102 52.838 53.050 -0.182 0.000 0.817 627 N CB -0.176 37.775 38.487 -0.893 0.000 1.362 627 N HN 0.636 nan 8.380 nan 0.000 0.499 628 Q N -0.644 119.170 119.800 0.023 0.000 2.631 628 Q HA 0.350 4.689 4.340 -0.000 0.000 0.220 628 Q C 1.150 177.107 176.000 -0.071 0.000 0.819 628 Q CA 0.330 56.104 55.803 -0.048 0.000 0.914 628 Q CB 0.679 29.358 28.738 -0.098 0.000 1.248 628 Q HN 0.058 nan 8.270 nan 0.000 0.629 629 V N 0.610 120.461 119.914 -0.104 0.000 2.278 629 V HA -0.126 3.993 4.120 -0.000 0.000 0.238 629 V C 2.129 177.820 176.094 -0.672 0.000 1.039 629 V CA 1.372 63.463 62.300 -0.349 0.000 1.017 629 V CB -0.423 31.176 31.823 -0.373 0.000 0.657 629 V HN 0.126 nan 8.190 nan 0.000 0.462 630 V N -1.685 117.655 119.914 -0.956 0.000 2.358 630 V HA -0.100 4.020 4.120 -0.000 0.000 0.246 630 V C 0.698 176.124 176.094 -1.113 0.000 1.047 630 V CA 1.491 63.023 62.300 -1.279 0.000 1.035 630 V CB -0.653 30.205 31.823 -1.608 0.000 0.658 630 V HN 0.508 nan 8.190 nan 0.000 0.452 631 Y N -1.679 118.236 120.300 -0.642 0.000 2.581 631 Y HA 0.686 5.236 4.550 -0.001 0.000 0.345 631 Y C -0.304 175.552 175.900 -0.072 0.000 1.036 631 Y CA -1.241 56.706 58.100 -0.256 0.000 1.042 631 Y CB 1.668 40.037 38.460 -0.152 0.000 1.289 631 Y HN -0.040 nan 8.280 nan 0.000 0.471 632 Q N 0.414 120.273 119.800 0.100 0.000 2.345 632 Q HA 0.318 4.657 4.340 -0.000 0.000 0.268 632 Q C -1.410 174.591 176.000 0.002 0.000 1.054 632 Q CA -1.054 54.769 55.803 0.032 0.000 0.835 632 Q CB 1.539 30.279 28.738 0.004 0.000 1.339 632 Q HN 0.570 nan 8.270 nan 0.000 0.447 633 Y N 4.027 124.203 120.300 -0.206 0.000 2.987 633 Y HA -0.061 4.488 4.550 -0.000 0.000 0.339 633 Y C -1.227 174.619 175.900 -0.090 0.000 1.272 633 Y CA -0.393 57.547 58.100 -0.267 0.000 1.562 633 Y CB 0.661 38.920 38.460 -0.336 0.000 1.253 633 Y HN 0.561 nan 8.280 nan 0.000 0.604 634 P HA 0.049 nan 4.420 nan 0.000 0.253 634 P C -0.744 176.441 177.300 -0.192 0.000 1.508 634 P CA 0.144 62.721 63.100 -0.872 0.000 0.883 634 P CB -0.126 31.103 31.700 -0.784 0.000 1.519 635 T N 0.582 115.072 114.554 -0.107 0.000 2.799 635 T HA 0.344 4.694 4.350 -0.000 0.000 0.286 635 T C -0.720 174.047 174.700 0.111 0.000 0.973 635 T CA 0.016 62.147 62.100 0.052 0.000 1.035 635 T CB 0.738 69.624 68.868 0.031 0.000 0.932 635 T HN 0.036 nan 8.240 nan 0.000 0.469 636 W N 2.833 124.137 121.300 0.008 0.000 2.781 636 W HA 0.650 5.310 4.660 -0.001 0.000 0.345 636 W C -0.757 175.843 176.519 0.136 0.000 1.085 636 W CA -0.922 56.471 57.345 0.079 0.000 1.198 636 W CB 1.044 30.493 29.460 -0.019 0.000 1.423 636 W HN 0.715 nan 8.180 nan 0.000 0.532 637 Y N -0.513 119.966 120.300 0.299 0.000 2.597 637 Y HA 0.794 5.344 4.550 -0.000 0.000 0.340 637 Y C -1.980 174.158 175.900 0.396 0.000 1.097 637 Y CA -2.716 55.533 58.100 0.249 0.000 1.037 637 Y CB 1.609 40.187 38.460 0.197 0.000 1.305 637 Y HN 0.539 nan 8.280 nan 0.000 0.463 638 Y N 0.623 121.058 120.300 0.225 0.000 2.521 638 Y HA 0.319 4.868 4.550 -0.001 0.000 0.328 638 Y C -1.664 174.399 175.900 0.272 0.000 1.151 638 Y CA -1.109 57.042 58.100 0.085 0.000 1.054 638 Y CB 1.790 40.226 38.460 -0.039 0.000 1.338 638 Y HN 0.766 nan 8.280 nan 0.000 0.453 639 D N 4.067 124.452 120.400 -0.025 0.000 2.274 639 D HA 0.474 5.114 4.640 -0.000 0.000 0.239 639 D C -1.065 175.300 176.300 0.108 0.000 1.104 639 D CA 0.134 54.213 54.000 0.132 0.000 0.840 639 D CB 2.018 42.928 40.800 0.183 0.000 1.100 639 D HN 0.177 nan 8.370 nan 0.000 0.477 640 V N 1.544 121.617 119.914 0.265 0.000 2.577 640 V HA 0.239 4.359 4.120 -0.000 0.000 0.303 640 V C 0.224 176.453 176.094 0.225 0.000 1.042 640 V CA -0.858 61.608 62.300 0.276 0.000 0.872 640 V CB 2.086 34.144 31.823 0.392 0.000 0.998 640 V HN 0.470 nan 8.190 nan 0.000 0.423 641 S N 3.450 119.244 115.700 0.157 0.000 2.505 641 S HA 0.645 5.115 4.470 -0.000 0.000 0.276 641 S C -0.582 174.078 174.600 0.100 0.000 1.274 641 S CA -0.137 58.127 58.200 0.107 0.000 1.053 641 S CB 0.798 64.031 63.200 0.055 0.000 0.919 641 S HN 0.581 nan 8.310 nan 0.000 0.490 642 V N 6.657 126.631 119.914 0.099 0.000 3.078 642 V HA 0.571 4.691 4.120 -0.000 0.000 0.311 642 V C -2.460 173.673 176.094 0.065 0.000 1.138 642 V CA -2.207 60.149 62.300 0.093 0.000 1.007 642 V CB 2.662 34.586 31.823 0.168 0.000 1.045 642 V HN 0.721 nan 8.190 nan 0.000 0.432 643 P HA 0.285 nan 4.420 nan 0.000 0.271 643 P C -0.991 176.331 177.300 0.037 0.000 1.216 643 P CA 0.068 63.188 63.100 0.034 0.000 0.776 643 P CB 0.525 32.242 31.700 0.028 0.000 0.881 644 A N 2.881 125.717 122.820 0.026 0.000 2.354 644 A HA 0.548 4.868 4.320 -0.000 0.000 0.269 644 A C 1.233 178.822 177.584 0.008 0.000 1.109 644 A CA 0.202 52.252 52.037 0.022 0.000 0.800 644 A CB -0.801 18.210 19.000 0.019 0.000 1.045 644 A HN 0.839 nan 8.150 nan 0.000 0.489 645 G N 0.679 109.476 108.800 -0.005 0.000 2.198 645 G HA2 -0.181 3.778 3.960 -0.000 0.000 0.257 645 G HA3 -0.181 3.778 3.960 -0.000 0.000 0.257 645 G C -0.075 174.813 174.900 -0.020 0.000 1.042 645 G CA 0.719 45.807 45.100 -0.019 0.000 0.791 645 G HN 0.962 nan 8.290 nan 0.000 0.502 646 Q N -0.934 118.854 119.800 -0.020 0.000 2.421 646 Q HA 0.591 4.930 4.340 -0.000 0.000 0.280 646 Q C -0.590 175.406 176.000 -0.007 0.000 1.085 646 Q CA -0.663 55.138 55.803 -0.004 0.000 0.807 646 Q CB 1.827 30.577 28.738 0.019 0.000 1.405 646 Q HN 0.184 nan 8.270 nan 0.000 0.419 647 T N 2.725 117.289 114.554 0.017 0.000 2.728 647 T HA 0.455 4.804 4.350 -0.000 0.000 0.296 647 T C 0.050 174.815 174.700 0.109 0.000 0.940 647 T CA -0.343 61.787 62.100 0.050 0.000 1.013 647 T CB -0.230 68.666 68.868 0.048 0.000 0.912 647 T HN 0.407 nan 8.240 nan 0.000 0.484 648 I N 0.253 120.932 120.570 0.182 0.000 2.676 648 I HA 0.719 4.888 4.170 -0.000 0.000 0.309 648 I C -0.177 176.145 176.117 0.342 0.000 0.990 648 I CA -0.979 60.448 61.300 0.213 0.000 1.168 648 I CB 1.626 39.739 38.000 0.188 0.000 1.343 648 I HN 0.382 nan 8.210 nan 0.000 0.482 649 E N 3.457 123.830 120.200 0.289 0.000 2.212 649 E HA 0.677 5.026 4.350 -0.000 0.000 0.268 649 E C -1.521 175.257 176.600 0.296 0.000 0.902 649 E CA -0.622 55.976 56.400 0.329 0.000 0.779 649 E CB 2.482 32.402 29.700 0.366 0.000 1.172 649 E HN 0.599 nan 8.360 nan 0.000 0.409 650 F N -0.591 119.431 119.950 0.120 0.000 2.741 650 F HA 0.651 5.178 4.527 -0.001 0.000 0.313 650 F C -1.419 174.478 175.800 0.161 0.000 1.153 650 F CA -1.116 56.849 58.000 -0.057 0.000 0.931 650 F CB 1.499 40.358 39.000 -0.235 0.000 1.335 650 F HN 0.077 nan 8.300 nan 0.000 0.460 651 K N 1.017 121.554 120.400 0.228 0.000 2.551 651 K HA 0.518 4.837 4.320 -0.000 0.000 0.269 651 K C -2.027 174.614 176.600 0.068 0.000 0.949 651 K CA -0.685 55.720 56.287 0.197 0.000 0.849 651 K CB 2.933 35.732 32.500 0.499 0.000 1.411 651 K HN 0.582 nan 8.250 nan 0.000 0.432 652 F N 2.039 122.099 119.950 0.183 0.000 2.408 652 F HA 0.579 5.106 4.527 -0.001 0.000 0.325 652 F C 0.374 176.262 175.800 0.146 0.000 1.082 652 F CA -0.730 57.368 58.000 0.163 0.000 1.032 652 F CB 0.926 40.053 39.000 0.210 0.000 1.259 652 F HN 0.296 nan 8.300 nan 0.000 0.503 653 L N -1.006 120.416 121.223 0.331 0.000 2.540 653 L HA 0.686 5.025 4.340 -0.000 0.000 0.256 653 L C -1.695 175.288 176.870 0.188 0.000 1.001 653 L CA -1.242 53.700 54.840 0.169 0.000 0.843 653 L CB 2.262 44.062 42.059 -0.431 0.000 1.436 653 L HN 0.410 nan 8.230 nan 0.000 0.410 654 K N 1.455 121.916 120.400 0.102 0.000 2.221 654 K HA 0.608 4.928 4.320 -0.000 0.000 0.258 654 K C -1.220 175.359 176.600 -0.034 0.000 0.944 654 K CA -0.847 55.425 56.287 -0.025 0.000 0.823 654 K CB 2.275 34.682 32.500 -0.156 0.000 1.113 654 K HN 0.494 nan 8.250 nan 0.000 0.431 655 K N 2.185 122.595 120.400 0.017 0.000 2.345 655 K HA 0.209 4.529 4.320 -0.000 0.000 0.255 655 K C -0.962 175.637 176.600 -0.002 0.000 0.934 655 K CA -0.869 55.364 56.287 -0.089 0.000 0.801 655 K CB 1.908 34.209 32.500 -0.331 0.000 1.137 655 K HN 0.291 nan 8.250 nan 0.000 0.424 656 Q N 2.147 121.933 119.800 -0.023 0.000 2.394 656 Q HA 0.284 4.624 4.340 -0.000 0.000 0.261 656 Q C 0.324 176.317 176.000 -0.011 0.000 1.023 656 Q CA 0.286 56.092 55.803 0.005 0.000 0.720 656 Q CB 1.261 30.003 28.738 0.006 0.000 1.241 656 Q HN 0.896 nan 8.270 nan 0.000 0.483 657 G N 3.198 111.994 108.800 -0.008 0.000 2.596 657 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.304 657 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.304 657 G C 0.574 175.448 174.900 -0.044 0.000 1.189 657 G CA 0.656 45.746 45.100 -0.017 0.000 0.986 657 G HN 0.692 nan 8.290 nan 0.000 0.548 658 S N 0.423 116.103 115.700 -0.033 0.000 2.558 658 S HA 0.311 4.781 4.470 -0.000 0.000 0.217 658 S C 0.843 175.419 174.600 -0.041 0.000 0.975 658 S CA 1.254 59.430 58.200 -0.039 0.000 0.912 658 S CB 0.343 63.531 63.200 -0.020 0.000 0.776 658 S HN 0.855 nan 8.310 nan 0.000 0.526 659 T N 2.841 117.373 114.554 -0.037 0.000 2.743 659 T HA 0.466 4.815 4.350 -0.000 0.000 0.293 659 T C -0.277 174.386 174.700 -0.061 0.000 0.945 659 T CA -0.294 61.790 62.100 -0.027 0.000 1.030 659 T CB 1.470 70.333 68.868 -0.007 0.000 0.912 659 T HN -0.067 nan 8.240 nan 0.000 0.483 660 V N 4.145 124.019 119.914 -0.066 0.000 2.435 660 V HA 0.458 4.578 4.120 -0.000 0.000 0.290 660 V C 0.241 176.291 176.094 -0.073 0.000 1.030 660 V CA -0.628 61.581 62.300 -0.152 0.000 0.881 660 V CB 1.859 33.555 31.823 -0.213 0.000 0.983 660 V HN 0.974 nan 8.190 nan 0.000 0.445 661 T N 4.359 118.878 114.554 -0.058 0.000 2.833 661 T HA 0.379 4.729 4.350 -0.000 0.000 0.297 661 T C -0.706 174.093 174.700 0.165 0.000 1.015 661 T CA -0.300 61.871 62.100 0.119 0.000 0.963 661 T CB 0.430 69.401 68.868 0.173 0.000 0.955 661 T HN 0.544 nan 8.240 nan 0.000 0.449 662 W N 2.971 124.366 121.300 0.158 0.000 2.251 662 W HA 0.357 5.017 4.660 -0.001 0.000 0.329 662 W C 0.981 177.494 176.519 -0.010 0.000 1.234 662 W CA -0.980 56.420 57.345 0.092 0.000 1.228 662 W CB 0.521 29.986 29.460 0.009 0.000 1.135 662 W HN 0.650 nan 8.180 nan 0.000 0.576 663 E N 1.728 121.880 120.200 -0.079 0.000 2.390 663 E HA 0.464 4.813 4.350 -0.000 0.000 0.261 663 E C 0.659 177.135 176.600 -0.205 0.000 1.076 663 E CA -0.524 55.510 56.400 -0.609 0.000 0.905 663 E CB 0.752 29.712 29.700 -1.233 0.000 0.984 663 E HN 0.487 nan 8.360 nan 0.000 0.427 664 G N 0.535 109.207 108.800 -0.214 0.000 2.535 664 G HA2 0.525 4.484 3.960 -0.000 0.000 0.282 664 G HA3 0.525 4.484 3.960 -0.000 0.000 0.282 664 G C 0.427 175.246 174.900 -0.136 0.000 1.350 664 G CA -0.259 44.771 45.100 -0.117 0.000 1.039 664 G HN 0.996 nan 8.290 nan 0.000 0.509 665 G N -1.877 106.860 108.800 -0.104 0.000 2.760 665 G HA2 0.386 4.346 3.960 -0.000 0.000 0.246 665 G HA3 0.386 4.346 3.960 -0.000 0.000 0.246 665 G C 0.306 175.140 174.900 -0.109 0.000 1.359 665 G CA 0.029 45.071 45.100 -0.097 0.000 0.861 665 G HN 2.010 nan 8.290 nan 0.000 0.541 666 A N 0.055 122.819 122.820 -0.093 0.000 2.425 666 A HA 0.568 4.887 4.320 -0.000 0.000 0.242 666 A C 0.826 178.346 177.584 -0.106 0.000 1.077 666 A CA 0.281 52.261 52.037 -0.095 0.000 0.781 666 A CB 0.065 19.025 19.000 -0.067 0.000 1.020 666 A HN 1.012 nan 8.150 nan 0.000 0.494 667 N N 0.870 119.506 118.700 -0.106 0.000 2.441 667 N HA 0.094 4.834 4.740 -0.000 0.000 0.251 667 N C 0.195 175.629 175.510 -0.126 0.000 1.242 667 N CA 0.407 53.409 53.050 -0.079 0.000 0.898 667 N CB 0.323 38.814 38.487 0.007 0.000 1.100 667 N HN 0.577 nan 8.380 nan 0.000 0.443 668 R N -0.015 120.305 120.500 -0.301 0.000 2.560 668 R HA 0.442 4.782 4.340 -0.000 0.000 0.270 668 R C 0.308 176.367 176.300 -0.403 0.000 1.074 668 R CA -0.380 55.426 56.100 -0.489 0.000 1.140 668 R CB 0.771 30.441 30.300 -1.050 0.000 1.073 668 R HN 0.425 nan 8.270 nan 0.000 0.527 669 T N 0.927 115.430 114.554 -0.085 0.000 2.909 669 T HA 0.610 4.960 4.350 -0.000 0.000 0.299 669 T C -1.909 173.105 174.700 0.524 0.000 1.073 669 T CA -0.561 61.673 62.100 0.224 0.000 0.999 669 T CB 0.932 69.879 68.868 0.131 0.000 1.098 669 T HN 0.392 nan 8.240 nan 0.000 0.477 670 F N 2.245 122.420 119.950 0.375 0.000 2.622 670 F HA 0.492 5.018 4.527 -0.001 0.000 0.318 670 F C -0.645 175.260 175.800 0.174 0.000 1.135 670 F CA -0.566 57.609 58.000 0.292 0.000 1.015 670 F CB 1.959 41.171 39.000 0.354 0.000 1.275 670 F HN 0.498 nan 8.300 nan 0.000 0.457 671 T N 4.070 118.245 114.554 -0.633 0.000 2.727 671 T HA 0.362 4.711 4.350 -0.000 0.000 0.298 671 T C 0.170 174.435 174.700 -0.726 0.000 0.942 671 T CA -0.314 61.493 62.100 -0.489 0.000 0.997 671 T CB 0.260 68.943 68.868 -0.309 0.000 0.917 671 T HN 0.710 nan 8.240 nan 0.000 0.487 672 T N 3.197 117.552 114.554 -0.332 0.000 2.918 672 T HA 0.311 4.660 4.350 -0.000 0.000 0.302 672 T C -2.164 172.465 174.700 -0.117 0.000 1.045 672 T CA -1.612 60.390 62.100 -0.164 0.000 1.114 672 T CB 0.285 69.168 68.868 0.024 0.000 0.965 672 T HN 0.258 nan 8.240 nan 0.000 0.540 673 P HA 0.090 nan 4.420 nan 0.000 0.270 673 P C 1.030 178.334 177.300 0.007 0.000 1.223 673 P CA -0.272 62.825 63.100 -0.006 0.000 0.785 673 P CB 0.561 32.286 31.700 0.041 0.000 0.923 674 T N -2.315 112.243 114.554 0.007 0.000 3.043 674 T HA 0.082 4.431 4.350 -0.000 0.000 0.263 674 T C 0.925 175.639 174.700 0.023 0.000 1.094 674 T CA 0.563 62.670 62.100 0.011 0.000 1.127 674 T CB -0.369 68.502 68.868 0.006 0.000 0.905 674 T HN 0.689 nan 8.240 nan 0.000 0.490 675 S N -1.066 114.654 115.700 0.034 0.000 2.625 675 S HA 0.694 5.164 4.470 -0.000 0.000 0.271 675 S C 0.208 174.848 174.600 0.066 0.000 1.161 675 S CA -0.372 57.856 58.200 0.047 0.000 0.820 675 S CB 1.353 64.576 63.200 0.039 0.000 1.137 675 S HN 1.410 nan 8.310 nan 0.000 0.470 676 G N 0.289 109.143 108.800 0.089 0.000 2.642 676 G HA2 0.127 4.086 3.960 -0.000 0.000 0.231 676 G HA3 0.127 4.086 3.960 -0.000 0.000 0.231 676 G C -0.190 174.785 174.900 0.125 0.000 1.338 676 G CA -0.040 45.124 45.100 0.107 0.000 0.883 676 G HN 1.458 nan 8.290 nan 0.000 0.570 677 T N -0.680 113.948 114.554 0.123 0.000 2.907 677 T HA 0.918 5.268 4.350 -0.000 0.000 0.290 677 T C -0.059 174.709 174.700 0.112 0.000 1.066 677 T CA 0.907 63.087 62.100 0.134 0.000 1.012 677 T CB 1.420 70.382 68.868 0.157 0.000 1.184 677 T HN 2.261 nan 8.240 nan 0.000 0.522 678 A N 0.902 123.783 122.820 0.101 0.000 2.606 678 A HA 0.749 5.069 4.320 -0.000 0.000 0.293 678 A C -0.964 176.615 177.584 -0.008 0.000 1.082 678 A CA -0.665 51.431 52.037 0.098 0.000 0.685 678 A CB 1.729 20.867 19.000 0.231 0.000 1.284 678 A HN 0.669 nan 8.150 nan 0.000 0.408 679 T N 1.237 115.765 114.554 -0.043 0.000 2.812 679 T HA 0.574 4.923 4.350 -0.000 0.000 0.282 679 T C -0.445 174.090 174.700 -0.276 0.000 0.990 679 T CA -0.308 61.711 62.100 -0.135 0.000 0.960 679 T CB 1.156 70.014 68.868 -0.016 0.000 0.948 679 T HN 1.696 nan 8.240 nan 0.000 0.438 680 V N 2.341 121.983 119.914 -0.453 0.000 2.398 680 V HA 0.736 4.855 4.120 -0.000 0.000 0.286 680 V C -0.611 175.401 176.094 -0.136 0.000 1.026 680 V CA -0.670 61.367 62.300 -0.438 0.000 0.868 680 V CB 1.538 32.956 31.823 -0.676 0.000 0.982 680 V HN 0.771 nan 8.190 nan 0.000 0.443 681 N N 4.494 123.158 118.700 -0.060 0.000 2.483 681 N HA 0.683 5.422 4.740 -0.000 0.000 0.267 681 N C -0.782 174.740 175.510 0.020 0.000 0.998 681 N CA -0.050 52.981 53.050 -0.032 0.000 0.918 681 N CB 1.844 40.310 38.487 -0.034 0.000 1.215 681 N HN 1.027 nan 8.380 nan 0.000 0.500 682 V N 0.909 120.840 119.914 0.029 0.000 3.156 682 V HA 0.725 4.845 4.120 -0.000 0.000 0.310 682 V C -0.775 175.320 176.094 0.003 0.000 1.234 682 V CA -1.043 61.292 62.300 0.057 0.000 1.065 682 V CB 2.200 34.127 31.823 0.174 0.000 1.088 682 V HN 0.481 nan 8.190 nan 0.000 0.451 683 N N 0.603 119.317 118.700 0.024 0.000 2.284 683 N HA 0.252 4.992 4.740 -0.000 0.000 0.300 683 N C -1.046 174.506 175.510 0.071 0.000 1.047 683 N CA -0.279 52.794 53.050 0.038 0.000 0.821 683 N CB 2.385 40.900 38.487 0.046 0.000 1.337 683 N HN 1.040 nan 8.380 nan 0.000 0.482 684 W N 2.596 123.852 121.300 -0.073 0.000 2.417 684 W HA -0.023 4.637 4.660 -0.001 0.000 0.332 684 W C -0.583 175.939 176.519 0.005 0.000 1.413 684 W CA 0.388 57.707 57.345 -0.043 0.000 1.299 684 W CB 0.311 29.737 29.460 -0.056 0.000 1.304 684 W HN 0.410 nan 8.180 nan 0.000 0.565 685 Q N 8.645 128.176 119.800 -0.448 0.000 2.349 685 Q HA 0.181 4.521 4.340 -0.000 0.000 0.254 685 Q C -1.653 174.059 176.000 -0.480 0.000 0.980 685 Q CA -1.658 53.951 55.803 -0.324 0.000 0.924 685 Q CB 1.202 29.788 28.738 -0.252 0.000 1.209 685 Q HN 0.233 nan 8.270 nan 0.000 0.445 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.135 63.100 0.057 0.000 0.800 686 P CB 0.000 31.804 31.700 0.173 0.000 0.726