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 1v3m_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 VKHMPFGWQK SFMATINNYK DATA SEQUENCE PVFTFGEWFL GVNEISPEYH QFANESGMSL LDYRFAQKAR 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 52.018 52.037 -0.031 0.000 0.836 1 A CB 0.000 18.971 19.000 -0.049 0.000 0.831 2 P HA 0.211 nan 4.420 nan 0.000 0.274 2 P C -0.005 177.267 177.300 -0.048 0.000 1.246 2 P CA 0.232 63.309 63.100 -0.037 0.000 0.795 2 P CB 0.629 32.305 31.700 -0.040 0.000 1.006 3 D N 0.069 120.448 120.400 -0.035 0.000 2.182 3 D HA -0.163 4.477 4.640 -0.000 0.000 0.201 3 D C 1.156 177.418 176.300 -0.063 0.000 0.986 3 D CA 2.100 56.084 54.000 -0.025 0.000 0.847 3 D CB -1.489 39.333 40.800 0.037 0.000 0.942 3 D HN 0.450 nan 8.370 nan 0.000 0.467 4 T N -2.535 111.971 114.554 -0.079 0.000 3.148 4 T HA 0.046 4.396 4.350 -0.000 0.000 0.253 4 T C 1.085 175.704 174.700 -0.134 0.000 1.134 4 T CA -0.011 62.018 62.100 -0.119 0.000 1.051 4 T CB -0.233 68.571 68.868 -0.108 0.000 0.959 4 T HN 0.143 nan 8.240 nan 0.000 0.525 5 S N 0.396 116.025 115.700 -0.119 0.000 2.573 5 S HA 0.142 4.612 4.470 -0.000 0.000 0.277 5 S C 1.458 175.955 174.600 -0.171 0.000 1.346 5 S CA -0.316 57.809 58.200 -0.125 0.000 1.034 5 S CB 1.104 64.242 63.200 -0.104 0.000 0.879 5 S HN 0.223 nan 8.310 nan 0.000 0.528 6 V N 4.105 123.916 119.914 -0.172 0.000 2.759 6 V HA -0.067 4.053 4.120 -0.000 0.000 0.256 6 V C 1.985 177.924 176.094 -0.257 0.000 1.080 6 V CA 2.433 64.603 62.300 -0.215 0.000 1.101 6 V CB -0.692 31.023 31.823 -0.180 0.000 0.698 6 V HN 0.995 nan 8.190 nan 0.000 0.477 7 S N 0.020 115.594 115.700 -0.209 0.000 2.603 7 S HA 0.055 4.525 4.470 -0.000 0.000 0.220 7 S C 1.004 175.521 174.600 -0.137 0.000 0.967 7 S CA 0.153 58.239 58.200 -0.190 0.000 0.920 7 S CB -0.633 62.481 63.200 -0.143 0.000 0.773 7 S HN 0.616 nan 8.310 nan 0.000 0.529 8 N N 2.478 121.088 118.700 -0.149 0.000 2.508 8 N HA 0.178 4.918 4.740 -0.000 0.000 0.253 8 N C 0.334 175.786 175.510 -0.097 0.000 1.145 8 N CA -0.024 52.959 53.050 -0.112 0.000 0.973 8 N CB 0.326 38.735 38.487 -0.130 0.000 1.305 8 N HN 0.359 nan 8.380 nan 0.000 0.506 9 K N 1.716 122.122 120.400 0.011 0.000 2.459 9 K HA 0.009 4.329 4.320 -0.000 0.000 0.193 9 K C 0.890 177.674 176.600 0.306 0.000 1.030 9 K CA 0.559 56.953 56.287 0.179 0.000 1.026 9 K CB 0.498 33.089 32.500 0.152 0.000 0.809 9 K HN 0.411 nan 8.250 nan 0.000 0.504 10 Q N 0.320 120.230 119.800 0.183 0.000 2.250 10 Q HA 0.072 4.412 4.340 -0.000 0.000 0.200 10 Q C -0.331 175.820 176.000 0.252 0.000 0.941 10 Q CA 0.807 56.736 55.803 0.210 0.000 0.872 10 Q CB 0.417 29.224 28.738 0.114 0.000 0.965 10 Q HN 0.229 nan 8.270 nan 0.000 0.480 11 N N -0.998 117.796 118.700 0.157 0.000 2.249 11 N HA 0.356 5.096 4.740 -0.000 0.000 0.296 11 N C -1.187 174.302 175.510 -0.036 0.000 1.051 11 N CA -0.364 52.714 53.050 0.047 0.000 0.815 11 N CB 1.203 39.700 38.487 0.018 0.000 1.487 11 N HN -0.103 nan 8.380 nan 0.000 0.475 12 F N 0.216 119.780 119.950 -0.643 0.000 2.688 12 F HA 0.235 4.762 4.527 -0.000 0.000 0.310 12 F C 1.567 177.090 175.800 -0.461 0.000 1.098 12 F CA -0.250 57.382 58.000 -0.614 0.000 1.228 12 F CB 0.375 38.787 39.000 -0.981 0.000 1.042 12 F HN 0.426 nan 8.300 nan 0.000 0.557 13 S N -0.759 114.804 115.700 -0.228 0.000 2.440 13 S HA -0.185 4.285 4.470 -0.000 0.000 0.238 13 S C 2.047 176.444 174.600 -0.338 0.000 1.010 13 S CA 1.753 59.799 58.200 -0.257 0.000 0.972 13 S CB -0.758 62.302 63.200 -0.233 0.000 0.774 13 S HN 0.526 nan 8.310 nan 0.000 0.501 14 T N -0.723 113.628 114.554 -0.338 0.000 3.107 14 T HA 0.150 4.500 4.350 -0.000 0.000 0.249 14 T C 0.035 174.584 174.700 -0.252 0.000 1.096 14 T CA -0.242 61.656 62.100 -0.337 0.000 1.012 14 T CB -0.051 68.633 68.868 -0.307 0.000 0.977 14 T HN 0.107 nan 8.240 nan 0.000 0.527 15 D N 0.857 121.124 120.400 -0.223 0.000 2.326 15 D HA 0.526 5.166 4.640 -0.000 0.000 0.248 15 D C -0.846 175.404 176.300 -0.083 0.000 1.001 15 D CA -0.465 53.438 54.000 -0.161 0.000 0.961 15 D CB 2.591 43.288 40.800 -0.173 0.000 1.183 15 D HN 0.021 nan 8.370 nan 0.000 0.502 16 V N 2.036 121.929 119.914 -0.035 0.000 2.444 16 V HA 0.338 4.458 4.120 -0.000 0.000 0.294 16 V C 0.237 176.396 176.094 0.109 0.000 1.022 16 V CA -0.705 61.604 62.300 0.016 0.000 0.850 16 V CB 1.537 33.353 31.823 -0.012 0.000 0.992 16 V HN 0.360 nan 8.190 nan 0.000 0.426 17 I N 4.671 125.350 120.570 0.182 0.000 2.428 17 I HA 0.324 4.494 4.170 -0.000 0.000 0.289 17 I C -0.795 175.530 176.117 0.346 0.000 1.019 17 I CA -0.403 61.079 61.300 0.304 0.000 1.351 17 I CB 0.827 39.050 38.000 0.372 0.000 1.412 17 I HN 0.614 nan 8.210 nan 0.000 0.513 18 Y N 6.140 126.560 120.300 0.199 0.000 2.356 18 Y HA 0.254 4.804 4.550 -0.000 0.000 0.334 18 Y C -0.017 175.981 175.900 0.163 0.000 0.958 18 Y CA -0.553 57.638 58.100 0.152 0.000 1.196 18 Y CB 1.025 39.532 38.460 0.078 0.000 1.137 18 Y HN 0.506 nan 8.280 nan 0.000 0.485 19 Q N 7.235 126.967 119.800 -0.114 0.000 2.314 19 Q HA 0.408 4.747 4.340 -0.000 0.000 0.257 19 Q C -1.346 174.494 176.000 -0.266 0.000 0.975 19 Q CA -0.267 55.405 55.803 -0.218 0.000 0.933 19 Q CB 0.536 29.066 28.738 -0.346 0.000 1.195 19 Q HN 0.766 nan 8.270 nan 0.000 0.426 20 I N 4.425 124.823 120.570 -0.287 0.000 2.362 20 I HA 0.226 4.396 4.170 -0.000 0.000 0.289 20 I C -0.605 175.301 176.117 -0.351 0.000 0.994 20 I CA -0.724 60.360 61.300 -0.360 0.000 1.158 20 I CB 1.067 38.836 38.000 -0.384 0.000 1.315 20 I HN 0.607 nan 8.210 nan 0.000 0.451 21 F N 5.330 124.906 119.950 -0.624 0.000 2.439 21 F HA 0.064 4.591 4.527 -0.000 0.000 0.356 21 F C 1.806 177.378 175.800 -0.381 0.000 1.161 21 F CA 0.172 57.926 58.000 -0.409 0.000 1.151 21 F CB 0.806 39.638 39.000 -0.280 0.000 1.222 21 F HN 0.572 nan 8.300 nan 0.000 0.558 22 T N 1.351 115.708 114.554 -0.328 0.000 2.680 22 T HA -0.333 4.017 4.350 -0.000 0.000 0.268 22 T C 1.648 176.280 174.700 -0.114 0.000 1.033 22 T CA 2.081 63.997 62.100 -0.306 0.000 1.152 22 T CB -0.231 68.171 68.868 -0.777 0.000 0.859 22 T HN 0.614 nan 8.240 nan 0.000 0.452 23 D N 0.222 120.618 120.400 -0.007 0.000 2.264 23 D HA -0.062 4.578 4.640 -0.000 0.000 0.208 23 D C 1.964 178.352 176.300 0.147 0.000 0.966 23 D CA 0.647 54.755 54.000 0.181 0.000 0.864 23 D CB 0.165 41.164 40.800 0.332 0.000 0.933 23 D HN 0.098 nan 8.370 nan 0.000 0.499 24 R N -0.764 119.791 120.500 0.092 0.000 2.393 24 R HA 0.130 4.470 4.340 -0.000 0.000 0.244 24 R C 0.670 177.020 176.300 0.083 0.000 0.920 24 R CA -0.119 56.011 56.100 0.050 0.000 1.076 24 R CB -0.211 30.098 30.300 0.014 0.000 1.119 24 R HN 0.280 nan 8.270 nan 0.000 0.524 25 F N 0.124 120.037 119.950 -0.062 0.000 2.478 25 F HA 0.317 4.844 4.527 -0.000 0.000 0.260 25 F C 0.255 176.184 175.800 0.216 0.000 0.974 25 F CA 0.161 58.197 58.000 0.060 0.000 1.075 25 F CB 0.294 39.313 39.000 0.032 0.000 1.165 25 F HN -0.213 nan 8.300 nan 0.000 0.692 26 S N 0.042 115.848 115.700 0.176 0.000 2.614 26 S HA 0.259 4.729 4.470 -0.000 0.000 0.275 26 S C -1.816 172.845 174.600 0.101 0.000 1.161 26 S CA -0.757 57.475 58.200 0.053 0.000 0.969 26 S CB 0.902 64.028 63.200 -0.123 0.000 1.059 26 S HN 0.266 nan 8.310 nan 0.000 0.482 27 D N 3.560 124.011 120.400 0.085 0.000 2.435 27 D HA 0.390 5.030 4.640 -0.000 0.000 0.230 27 D C 1.185 177.517 176.300 0.055 0.000 1.215 27 D CA 0.046 54.102 54.000 0.093 0.000 0.947 27 D CB 0.498 41.370 40.800 0.120 0.000 1.048 27 D HN 0.682 nan 8.370 nan 0.000 0.512 28 G N 3.250 112.084 108.800 0.056 0.000 2.683 28 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.213 28 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.213 28 G C 0.665 175.586 174.900 0.036 0.000 1.142 28 G CA -0.229 44.893 45.100 0.036 0.000 0.793 28 G HN 0.466 nan 8.290 nan 0.000 0.534 29 N N -0.209 118.515 118.700 0.040 0.000 2.609 29 N HA 0.344 5.084 4.740 -0.000 0.000 0.268 29 N C -2.359 173.153 175.510 0.003 0.000 1.106 29 N CA -1.965 51.099 53.050 0.023 0.000 0.823 29 N CB 2.306 40.814 38.487 0.034 0.000 1.263 29 N HN -0.225 nan 8.380 nan 0.000 0.533 30 P HA 0.048 nan 4.420 nan 0.000 0.223 30 P C 0.800 178.043 177.300 -0.094 0.000 1.151 30 P CA 0.647 63.723 63.100 -0.040 0.000 0.787 30 P CB 0.365 32.054 31.700 -0.018 0.000 0.788 31 A N 0.943 123.722 122.820 -0.069 0.000 2.066 31 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 31 A C 1.684 179.202 177.584 -0.109 0.000 1.157 31 A CA 1.462 53.448 52.037 -0.085 0.000 0.670 31 A CB -1.288 17.681 19.000 -0.051 0.000 0.804 31 A HN 0.288 nan 8.150 nan 0.000 0.453 32 N N -0.063 118.578 118.700 -0.099 0.000 2.322 32 N HA 0.014 4.754 4.740 -0.000 0.000 0.194 32 N C -0.627 174.768 175.510 -0.190 0.000 1.126 32 N CA -0.271 52.708 53.050 -0.117 0.000 0.845 32 N CB -0.579 37.865 38.487 -0.072 0.000 0.976 32 N HN 0.164 nan 8.380 nan 0.000 0.475 33 N N 2.069 120.609 118.700 -0.266 0.000 2.513 33 N HA 0.248 4.988 4.740 -0.000 0.000 0.268 33 N C -2.327 172.880 175.510 -0.504 0.000 1.180 33 N CA -1.302 51.484 53.050 -0.440 0.000 0.948 33 N CB 0.229 38.235 38.487 -0.803 0.000 1.083 33 N HN 0.164 nan 8.380 nan 0.000 0.455 34 P HA -0.022 nan 4.420 nan 0.000 0.267 34 P C -0.132 176.977 177.300 -0.318 0.000 1.195 34 P CA 0.287 63.186 63.100 -0.335 0.000 0.773 34 P CB 0.443 31.948 31.700 -0.325 0.000 0.837 35 T N -1.672 112.792 114.554 -0.149 0.000 2.910 35 T HA 0.720 5.070 4.350 -0.000 0.000 0.287 35 T C 0.475 175.197 174.700 0.037 0.000 1.050 35 T CA -0.142 61.906 62.100 -0.087 0.000 1.011 35 T CB 1.426 70.224 68.868 -0.116 0.000 1.195 35 T HN 0.739 nan 8.240 nan 0.000 0.540 36 G N 0.695 109.532 108.800 0.063 0.000 2.528 36 G HA2 0.050 4.010 3.960 -0.000 0.000 0.262 36 G HA3 0.050 4.010 3.960 -0.000 0.000 0.262 36 G C 1.082 176.045 174.900 0.107 0.000 1.200 36 G CA 0.449 45.590 45.100 0.067 0.000 0.951 36 G HN 1.777 nan 8.290 nan 0.000 0.566 37 A N -0.413 122.458 122.820 0.084 0.000 2.172 37 A HA 0.439 4.759 4.320 -0.000 0.000 0.216 37 A C 2.691 180.349 177.584 0.124 0.000 1.154 37 A CA 2.610 54.700 52.037 0.088 0.000 0.701 37 A CB -0.655 18.383 19.000 0.063 0.000 0.789 37 A HN 2.265 nan 8.150 nan 0.000 0.465 38 A N -1.943 120.976 122.820 0.165 0.000 2.169 38 A HA 0.428 4.748 4.320 -0.000 0.000 0.212 38 A C 0.386 178.178 177.584 0.346 0.000 1.153 38 A CA 0.210 52.395 52.037 0.245 0.000 0.756 38 A CB -0.208 18.934 19.000 0.236 0.000 0.813 38 A HN 0.468 nan 8.150 nan 0.000 0.471 39 F N -0.278 119.729 119.950 0.094 0.000 2.520 39 F HA 0.585 5.111 4.527 -0.000 0.000 0.322 39 F C -1.392 174.441 175.800 0.056 0.000 1.103 39 F CA -1.694 56.358 58.000 0.087 0.000 0.926 39 F CB 1.853 40.874 39.000 0.035 0.000 1.154 39 F HN -0.020 nan 8.300 nan 0.000 0.453 40 D N 3.227 123.195 120.400 -0.721 0.000 2.358 40 D HA 0.285 4.925 4.640 -0.000 0.000 0.253 40 D C 0.889 176.637 176.300 -0.920 0.000 1.288 40 D CA -0.083 53.562 54.000 -0.591 0.000 0.950 40 D CB 1.247 41.868 40.800 -0.299 0.000 1.197 40 D HN 0.697 nan 8.370 nan 0.000 0.550 41 G N 1.543 109.806 108.800 -0.896 0.000 2.448 41 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.219 41 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.219 41 G C 1.325 176.094 174.900 -0.220 0.000 1.127 41 G CA 1.112 45.926 45.100 -0.476 0.000 0.766 41 G HN 0.514 nan 8.290 nan 0.000 0.552 42 S N -1.573 114.018 115.700 -0.181 0.000 2.527 42 S HA 0.001 4.471 4.470 -0.000 0.000 0.222 42 S C 1.329 175.855 174.600 -0.122 0.000 0.985 42 S CA 0.526 58.660 58.200 -0.109 0.000 0.921 42 S CB -0.568 62.586 63.200 -0.077 0.000 0.772 42 S HN 0.804 nan 8.310 nan 0.000 0.529 43 c N 2.438 120.927 118.600 -0.184 0.000 4.235 43 c HA -0.173 4.397 4.570 -0.000 0.000 0.301 43 c C 1.600 175.613 174.090 -0.127 0.000 1.409 43 c CA 1.042 57.269 56.329 -0.171 0.000 2.024 43 c CB -2.835 39.597 42.510 -0.131 0.000 1.286 43 c HN 0.872 nan 8.230 nan 0.000 0.746 44 T N -2.938 111.547 114.554 -0.114 0.000 3.037 44 T HA 0.081 4.431 4.350 -0.000 0.000 0.251 44 T C 0.482 175.130 174.700 -0.087 0.000 1.079 44 T CA 0.766 62.815 62.100 -0.085 0.000 1.067 44 T CB -0.110 68.721 68.868 -0.062 0.000 0.948 44 T HN 0.668 nan 8.240 nan 0.000 0.496 45 N N 1.727 120.363 118.700 -0.107 0.000 2.527 45 N HA 0.177 4.917 4.740 -0.000 0.000 0.236 45 N C 0.179 175.595 175.510 -0.156 0.000 0.999 45 N CA -0.712 52.279 53.050 -0.097 0.000 0.935 45 N CB 0.763 39.204 38.487 -0.076 0.000 1.132 45 N HN -0.009 nan 8.380 nan 0.000 0.511 46 L N 3.304 124.432 121.223 -0.159 0.000 2.675 46 L HA 0.127 4.467 4.340 -0.000 0.000 0.238 46 L C 1.544 178.174 176.870 -0.400 0.000 1.155 46 L CA 0.720 55.404 54.840 -0.260 0.000 0.881 46 L CB -0.520 41.436 42.059 -0.172 0.000 1.008 46 L HN 0.491 nan 8.230 nan 0.000 0.443 47 R N -1.805 118.549 120.500 -0.244 0.000 2.397 47 R HA 0.296 4.636 4.340 -0.000 0.000 0.241 47 R C 0.093 176.313 176.300 -0.133 0.000 0.914 47 R CA -0.110 55.909 56.100 -0.136 0.000 1.071 47 R CB 0.611 30.958 30.300 0.078 0.000 1.116 47 R HN 0.181 nan 8.270 nan 0.000 0.524 48 L N -0.130 120.965 121.223 -0.214 0.000 2.331 48 L HA 0.393 4.733 4.340 -0.000 0.000 0.268 48 L C -0.234 176.550 176.870 -0.143 0.000 1.015 48 L CA -1.239 53.548 54.840 -0.088 0.000 0.807 48 L CB 0.602 42.632 42.059 -0.047 0.000 1.293 48 L HN -0.053 nan 8.230 nan 0.000 0.451 49 Y N -0.657 119.644 120.300 0.002 0.000 2.465 49 Y HA -0.012 4.538 4.550 -0.000 0.000 0.331 49 Y C 0.995 176.825 175.900 -0.116 0.000 1.102 49 Y CA -0.136 58.009 58.100 0.075 0.000 1.358 49 Y CB 0.761 39.380 38.460 0.265 0.000 1.213 49 Y HN 0.540 nan 8.280 nan 0.000 0.525 50 c N 1.070 119.701 118.600 0.051 0.000 2.673 50 c HA 0.276 4.846 4.570 -0.000 0.000 0.264 50 c C 1.821 176.021 174.090 0.183 0.000 1.304 50 c CA 0.575 56.839 56.329 -0.109 0.000 1.727 50 c CB -0.712 41.751 42.510 -0.078 0.000 1.932 50 c HN 1.233 nan 8.230 nan 0.000 0.563 51 G N 0.077 109.151 108.800 0.456 0.000 2.211 51 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.201 51 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.201 51 G C 0.380 175.437 174.900 0.261 0.000 0.997 51 G CA -0.120 45.264 45.100 0.474 0.000 0.652 51 G HN 0.778 nan 8.290 nan 0.000 0.500 52 G N 0.605 109.540 108.800 0.224 0.000 2.491 52 G HA2 0.551 4.511 3.960 -0.000 0.000 0.238 52 G HA3 0.551 4.511 3.960 -0.000 0.000 0.238 52 G C -0.030 174.939 174.900 0.114 0.000 1.277 52 G CA 1.085 46.282 45.100 0.161 0.000 0.851 52 G HN 1.058 nan 8.290 nan 0.000 0.573 53 D N -0.950 119.495 120.400 0.075 0.000 2.759 53 D HA 0.211 4.851 4.640 -0.000 0.000 0.321 53 D C 0.416 176.763 176.300 0.078 0.000 1.267 53 D CA -0.872 53.113 54.000 -0.024 0.000 0.933 53 D CB 0.226 41.036 40.800 0.016 0.000 1.431 53 D HN 0.316 nan 8.370 nan 0.000 0.504 54 W N -0.531 120.833 121.300 0.106 0.000 2.436 54 W HA 0.001 4.661 4.660 -0.000 0.000 0.284 54 W C 1.978 178.542 176.519 0.076 0.000 1.225 54 W CA 0.753 58.148 57.345 0.084 0.000 1.271 54 W CB -0.870 28.667 29.460 0.129 0.000 1.114 54 W HN 0.525 nan 8.180 nan 0.000 0.559 55 Q N 0.539 120.505 119.800 0.276 0.000 2.181 55 Q HA -0.082 4.258 4.340 -0.000 0.000 0.205 55 Q C 2.326 178.406 176.000 0.133 0.000 0.980 55 Q CA 2.261 58.167 55.803 0.170 0.000 0.862 55 Q CB -0.915 27.896 28.738 0.122 0.000 0.905 55 Q HN 0.173 nan 8.270 nan 0.000 0.429 56 G N -0.077 108.813 108.800 0.150 0.000 2.403 56 G HA2 -0.148 3.811 3.960 -0.000 0.000 0.216 56 G HA3 -0.148 3.811 3.960 -0.000 0.000 0.216 56 G C 1.399 176.422 174.900 0.206 0.000 1.154 56 G CA 0.753 45.929 45.100 0.127 0.000 0.784 56 G HN 0.417 nan 8.290 nan 0.000 0.538 57 I N 0.494 121.243 120.570 0.298 0.000 2.252 57 I HA -0.074 4.096 4.170 -0.000 0.000 0.245 57 I C 2.593 178.808 176.117 0.164 0.000 1.102 57 I CA 0.620 62.105 61.300 0.309 0.000 1.385 57 I CB -0.189 37.936 38.000 0.208 0.000 1.064 57 I HN 0.107 nan 8.210 nan 0.000 0.414 58 I N 1.141 121.778 120.570 0.112 0.000 2.208 58 I HA -0.328 3.842 4.170 -0.000 0.000 0.245 58 I C 2.154 178.278 176.117 0.012 0.000 1.097 58 I CA 1.410 62.736 61.300 0.043 0.000 1.363 58 I CB -0.534 37.498 38.000 0.054 0.000 1.051 58 I HN 0.331 nan 8.210 nan 0.000 0.413 59 N N 0.794 119.505 118.700 0.019 0.000 2.188 59 N HA -0.133 4.607 4.740 -0.000 0.000 0.184 59 N C 1.654 177.129 175.510 -0.058 0.000 1.018 59 N CA 1.055 54.085 53.050 -0.034 0.000 0.858 59 N CB -0.190 38.258 38.487 -0.064 0.000 0.989 59 N HN 0.273 nan 8.380 nan 0.000 0.426 60 K N 0.515 120.910 120.400 -0.009 0.000 2.366 60 K HA 0.148 4.468 4.320 -0.000 0.000 0.198 60 K C 1.892 178.542 176.600 0.084 0.000 1.044 60 K CA 0.141 56.451 56.287 0.039 0.000 0.973 60 K CB 0.164 32.786 32.500 0.203 0.000 0.767 60 K HN 0.292 nan 8.250 nan 0.000 0.475 61 I N 0.776 121.344 120.570 -0.002 0.000 2.339 61 I HA -0.208 3.961 4.170 -0.000 0.000 0.245 61 I C 1.743 177.694 176.117 -0.276 0.000 1.096 61 I CA 0.924 62.139 61.300 -0.140 0.000 1.408 61 I CB -0.263 37.623 38.000 -0.190 0.000 1.092 61 I HN 0.190 nan 8.210 nan 0.000 0.423 62 N N 0.971 119.536 118.700 -0.224 0.000 2.104 62 N HA -0.229 4.510 4.740 -0.000 0.000 0.190 62 N C 1.003 176.472 175.510 -0.069 0.000 1.024 62 N CA 1.592 54.545 53.050 -0.162 0.000 0.853 62 N CB -0.108 38.343 38.487 -0.061 0.000 1.008 62 N HN 0.447 nan 8.380 nan 0.000 0.424 63 D N -0.681 119.691 120.400 -0.046 0.000 2.328 63 D HA 0.080 4.720 4.640 -0.000 0.000 0.226 63 D C 1.070 177.384 176.300 0.024 0.000 1.066 63 D CA 0.415 54.407 54.000 -0.014 0.000 0.861 63 D CB -0.211 40.566 40.800 -0.039 0.000 0.912 63 D HN 0.268 nan 8.370 nan 0.000 0.521 64 G N -0.180 108.633 108.800 0.022 0.000 2.159 64 G HA2 -0.433 3.527 3.960 -0.000 0.000 0.256 64 G HA3 -0.433 3.527 3.960 -0.000 0.000 0.256 64 G C 0.566 175.529 174.900 0.105 0.000 0.977 64 G CA 0.413 45.542 45.100 0.049 0.000 0.652 64 G HN 0.409 nan 8.290 nan 0.000 0.531 65 Y N 0.591 120.917 120.300 0.043 0.000 2.163 65 Y HA 0.181 4.731 4.550 -0.000 0.000 0.288 65 Y C 2.587 178.582 175.900 0.157 0.000 1.136 65 Y CA 2.292 60.479 58.100 0.145 0.000 1.147 65 Y CB -0.218 38.313 38.460 0.119 0.000 0.987 65 Y HN 0.291 nan 8.280 nan 0.000 0.509 66 L N -0.812 120.430 121.223 0.032 0.000 2.095 66 L HA -0.122 4.217 4.340 -0.000 0.000 0.204 66 L C 2.539 179.311 176.870 -0.164 0.000 1.080 66 L CA 1.636 56.385 54.840 -0.152 0.000 0.759 66 L CB -0.996 41.028 42.059 -0.058 0.000 0.914 66 L HN 0.315 nan 8.230 nan 0.000 0.439 67 T N -3.221 111.290 114.554 -0.072 0.000 2.951 67 T HA -0.061 4.289 4.350 -0.000 0.000 0.268 67 T C 1.902 176.571 174.700 -0.053 0.000 1.073 67 T CA 0.879 62.951 62.100 -0.046 0.000 1.134 67 T CB -0.633 68.244 68.868 0.016 0.000 0.884 67 T HN 0.357 nan 8.240 nan 0.000 0.479 68 G N 0.966 109.752 108.800 -0.024 0.000 2.448 68 G HA2 -0.081 3.878 3.960 -0.000 0.000 0.219 68 G HA3 -0.081 3.878 3.960 -0.000 0.000 0.219 68 G C 1.450 176.309 174.900 -0.069 0.000 1.127 68 G CA 0.670 45.794 45.100 0.040 0.000 0.766 68 G HN 0.546 nan 8.290 nan 0.000 0.552 69 M N 0.293 119.700 119.600 -0.322 0.000 2.558 69 M HA 0.255 4.734 4.480 -0.000 0.000 0.255 69 M C 1.662 177.761 176.300 -0.336 0.000 1.113 69 M CA 1.041 55.960 55.300 -0.635 0.000 1.097 69 M CB 0.286 32.325 32.600 -0.934 0.000 1.426 69 M HN 0.328 nan 8.290 nan 0.000 0.488 70 G N 1.448 110.127 108.800 -0.201 0.000 2.136 70 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.242 70 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.242 70 G C -0.080 174.749 174.900 -0.119 0.000 0.989 70 G CA -0.147 44.872 45.100 -0.136 0.000 0.682 70 G HN 0.393 nan 8.290 nan 0.000 0.522 71 I N 1.910 122.401 120.570 -0.132 0.000 2.618 71 I HA 0.258 4.427 4.170 -0.000 0.000 0.284 71 I C 1.736 177.831 176.117 -0.036 0.000 1.146 71 I CA 1.333 62.590 61.300 -0.072 0.000 1.425 71 I CB 0.807 38.739 38.000 -0.114 0.000 1.383 71 I HN 0.362 nan 8.210 nan 0.000 0.562 72 T N 1.874 116.421 114.554 -0.012 0.000 3.091 72 T HA 0.650 4.999 4.350 -0.000 0.000 0.277 72 T C 0.175 174.881 174.700 0.011 0.000 0.996 72 T CA -0.185 61.899 62.100 -0.027 0.000 0.897 72 T CB 0.320 69.136 68.868 -0.086 0.000 1.109 72 T HN 0.683 nan 8.240 nan 0.000 0.534 73 A N 1.719 124.602 122.820 0.104 0.000 2.547 73 A HA 0.770 5.090 4.320 -0.000 0.000 0.297 73 A C -0.940 176.805 177.584 0.269 0.000 1.056 73 A CA -1.205 50.960 52.037 0.214 0.000 0.688 73 A CB 1.155 20.371 19.000 0.360 0.000 1.282 73 A HN 0.679 nan 8.150 nan 0.000 0.400 74 I N -1.810 118.926 120.570 0.277 0.000 2.603 74 I HA 0.883 5.053 4.170 -0.000 0.000 0.300 74 I C -0.960 175.385 176.117 0.380 0.000 1.017 74 I CA -0.813 60.660 61.300 0.288 0.000 1.098 74 I CB 2.033 40.134 38.000 0.167 0.000 1.279 74 I HN 0.750 nan 8.210 nan 0.000 0.437 75 W N 8.271 129.662 121.300 0.151 0.000 2.554 75 W HA 0.735 5.395 4.660 -0.000 0.000 0.324 75 W C -1.472 175.076 176.519 0.048 0.000 1.018 75 W CA -1.914 55.513 57.345 0.137 0.000 1.243 75 W CB 0.846 30.430 29.460 0.207 0.000 1.345 75 W HN 0.662 nan 8.180 nan 0.000 0.441 76 I N 2.372 123.105 120.570 0.272 0.000 2.863 76 I HA 0.672 4.842 4.170 -0.000 0.000 0.311 76 I C 0.468 176.569 176.117 -0.028 0.000 1.026 76 I CA -0.967 60.348 61.300 0.024 0.000 1.077 76 I CB 1.652 39.706 38.000 0.089 0.000 1.262 76 I HN 0.176 nan 8.210 nan 0.000 0.461 77 S N 1.704 117.250 115.700 -0.256 0.000 2.559 77 S HA -0.052 4.418 4.470 -0.000 0.000 0.282 77 S C 0.008 174.564 174.600 -0.072 0.000 1.336 77 S CA -0.264 57.722 58.200 -0.356 0.000 1.037 77 S CB 0.240 63.124 63.200 -0.528 0.000 0.853 77 S HN 0.722 nan 8.310 nan 0.000 0.523 78 Q N 3.147 122.886 119.800 -0.100 0.000 2.263 78 Q HA 0.003 4.343 4.340 -0.000 0.000 0.289 78 Q C -1.542 174.493 176.000 0.059 0.000 1.061 78 Q CA -1.055 54.726 55.803 -0.036 0.000 0.927 78 Q CB 0.596 29.285 28.738 -0.081 0.000 1.154 78 Q HN 0.332 nan 8.270 nan 0.000 0.378 79 P HA -0.037 nan 4.420 nan 0.000 0.240 79 P C 0.355 177.710 177.300 0.091 0.000 1.190 79 P CA 0.295 63.504 63.100 0.182 0.000 0.781 79 P CB -0.054 31.477 31.700 -0.282 0.000 0.931 80 V N -1.591 118.265 119.914 -0.097 0.000 3.003 80 V HA 0.246 4.366 4.120 -0.000 0.000 0.305 80 V C 0.448 176.494 176.094 -0.081 0.000 1.078 80 V CA -1.006 61.302 62.300 0.013 0.000 1.083 80 V CB 0.222 31.981 31.823 -0.106 0.000 1.039 80 V HN -0.035 nan 8.190 nan 0.000 0.481 81 E N 3.067 123.249 120.200 -0.030 0.000 2.480 81 E HA 0.073 4.423 4.350 -0.000 0.000 0.258 81 E C -0.080 176.379 176.600 -0.236 0.000 0.984 81 E CA 0.157 56.479 56.400 -0.131 0.000 0.930 81 E CB 0.224 29.902 29.700 -0.037 0.000 0.936 81 E HN 0.888 nan 8.360 nan 0.000 0.466 82 N N 2.983 121.475 118.700 -0.347 0.000 2.483 82 N HA 0.306 5.046 4.740 -0.000 0.000 0.285 82 N C -0.017 175.230 175.510 -0.438 0.000 1.210 82 N CA -0.786 52.085 53.050 -0.299 0.000 0.931 82 N CB 0.954 39.288 38.487 -0.255 0.000 1.220 82 N HN 0.452 nan 8.380 nan 0.000 0.542 83 I N -0.988 119.464 120.570 -0.198 0.000 2.754 83 I HA 0.000 4.170 4.170 -0.000 0.000 0.285 83 I C 0.080 176.026 176.117 -0.285 0.000 1.166 83 I CA 0.004 61.194 61.300 -0.182 0.000 1.417 83 I CB 0.233 38.232 38.000 -0.002 0.000 1.382 83 I HN 0.587 nan 8.210 nan 0.000 0.588 84 Y N 2.186 122.503 120.300 0.028 0.000 2.500 84 Y HA 0.134 4.684 4.550 -0.000 0.000 0.270 84 Y C 1.504 177.426 175.900 0.038 0.000 1.134 84 Y CA -0.064 58.048 58.100 0.020 0.000 1.293 84 Y CB -0.312 38.129 38.460 -0.032 0.000 1.063 84 Y HN 0.585 nan 8.280 nan 0.000 0.534 85 S N 0.672 116.448 115.700 0.128 0.000 2.558 85 S HA 0.148 4.618 4.470 -0.000 0.000 0.288 85 S C -0.041 174.610 174.600 0.084 0.000 1.318 85 S CA -0.431 57.799 58.200 0.049 0.000 1.056 85 S CB 1.012 64.160 63.200 -0.086 0.000 0.853 85 S HN -0.043 nan 8.310 nan 0.000 0.505 86 V N 4.339 124.285 119.914 0.053 0.000 2.350 86 V HA 0.357 4.477 4.120 -0.000 0.000 0.276 86 V C 0.040 176.123 176.094 -0.019 0.000 1.028 86 V CA -0.419 61.923 62.300 0.070 0.000 0.860 86 V CB 0.575 32.442 31.823 0.074 0.000 0.990 86 V HN 0.712 nan 8.190 nan 0.000 0.453 87 I N 4.654 125.200 120.570 -0.041 0.000 2.359 87 I HA 0.357 4.527 4.170 -0.000 0.000 0.294 87 I C 0.335 176.316 176.117 -0.226 0.000 0.987 87 I CA -0.311 60.849 61.300 -0.233 0.000 1.225 87 I CB 1.351 39.096 38.000 -0.425 0.000 1.366 87 I HN 0.538 nan 8.210 nan 0.000 0.466 88 N N 6.604 125.186 118.700 -0.197 0.000 2.420 88 N HA 0.195 4.935 4.740 -0.000 0.000 0.249 88 N C -1.592 173.818 175.510 -0.167 0.000 1.033 88 N CA -0.218 52.767 53.050 -0.107 0.000 0.944 88 N CB 0.572 39.045 38.487 -0.024 0.000 1.113 88 N HN 0.430 nan 8.380 nan 0.000 0.502 89 Y N 1.910 122.280 120.300 0.116 0.000 2.385 89 Y HA 0.099 4.649 4.550 -0.000 0.000 0.341 89 Y C 0.963 176.897 175.900 0.056 0.000 0.965 89 Y CA -0.718 57.435 58.100 0.088 0.000 1.180 89 Y CB 1.015 39.530 38.460 0.091 0.000 1.139 89 Y HN 0.482 nan 8.280 nan 0.000 0.502 90 S N 3.027 118.836 115.700 0.181 0.000 3.243 90 S HA -0.244 4.226 4.470 -0.000 0.000 0.333 90 S C 1.211 175.861 174.600 0.083 0.000 0.913 90 S CA 1.070 59.332 58.200 0.103 0.000 1.310 90 S CB -1.346 61.905 63.200 0.085 0.000 0.894 90 S HN 1.361 nan 8.310 nan 0.000 0.498 91 G N -1.168 107.676 108.800 0.073 0.000 2.956 91 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.210 91 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.210 91 G C 0.238 175.179 174.900 0.068 0.000 1.316 91 G CA -0.145 44.989 45.100 0.057 0.000 0.819 91 G HN 1.347 nan 8.290 nan 0.000 0.544 92 V N 2.777 122.749 119.914 0.097 0.000 2.583 92 V HA 0.576 4.696 4.120 -0.000 0.000 0.287 92 V C 0.098 176.259 176.094 0.111 0.000 1.051 92 V CA -0.748 61.611 62.300 0.099 0.000 1.010 92 V CB 1.197 33.085 31.823 0.108 0.000 0.988 92 V HN 0.463 nan 8.190 nan 0.000 0.478 93 N N 5.294 124.044 118.700 0.082 0.000 2.530 93 N HA 0.346 5.086 4.740 -0.000 0.000 0.273 93 N C -0.543 175.044 175.510 0.128 0.000 1.173 93 N CA 0.118 53.215 53.050 0.078 0.000 0.967 93 N CB 0.482 39.005 38.487 0.060 0.000 1.109 93 N HN 0.734 nan 8.380 nan 0.000 0.453 94 N N -0.127 118.672 118.700 0.164 0.000 2.260 94 N HA 0.382 5.122 4.740 -0.000 0.000 0.293 94 N C -0.767 174.907 175.510 0.273 0.000 1.058 94 N CA -0.369 52.846 53.050 0.276 0.000 0.824 94 N CB 2.201 40.995 38.487 0.513 0.000 1.551 94 N HN 0.556 nan 8.380 nan 0.000 0.475 95 T N -2.481 112.173 114.554 0.167 0.000 2.888 95 T HA 0.579 4.929 4.350 -0.000 0.000 0.288 95 T C 0.432 174.889 174.700 -0.406 0.000 1.063 95 T CA -0.734 61.415 62.100 0.081 0.000 1.010 95 T CB 1.573 70.510 68.868 0.115 0.000 1.214 95 T HN 0.330 nan 8.240 nan 0.000 0.533 96 A N 0.408 122.950 122.820 -0.463 0.000 2.416 96 A HA 0.282 4.602 4.320 -0.000 0.000 0.252 96 A C 1.248 178.086 177.584 -1.243 0.000 1.353 96 A CA -0.233 51.227 52.037 -0.961 0.000 0.996 96 A CB -1.722 17.120 19.000 -0.265 0.000 0.961 96 A HN 0.935 nan 8.150 nan 0.000 0.523 97 Y N -0.320 119.145 120.300 -1.391 0.000 2.315 97 Y HA -0.294 4.256 4.550 -0.000 0.000 0.288 97 Y C 1.841 177.417 175.900 -0.541 0.000 1.154 97 Y CA 1.664 59.021 58.100 -1.237 0.000 1.229 97 Y CB -1.053 36.881 38.460 -0.876 0.000 0.980 97 Y HN 0.632 nan 8.280 nan 0.000 0.540 98 H N -1.290 116.963 119.070 -1.362 0.000 2.547 98 H HA 0.335 4.890 4.556 -0.000 0.000 0.272 98 H C 2.005 176.719 175.328 -1.023 0.000 0.989 98 H CA -0.091 55.293 56.048 -1.106 0.000 1.214 98 H CB -0.609 28.525 29.762 -1.046 0.000 1.389 98 H HN 0.444 nan 8.280 nan 0.000 0.577 99 G N -0.115 108.341 108.800 -0.574 0.000 2.179 99 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.260 99 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.260 99 G C 0.482 175.243 174.900 -0.231 0.000 0.977 99 G CA 0.508 45.395 45.100 -0.353 0.000 0.641 99 G HN 0.507 nan 8.290 nan 0.000 0.533 100 Y N -1.074 119.253 120.300 0.045 0.000 2.529 100 Y HA 0.332 4.882 4.550 -0.000 0.000 0.290 100 Y C 0.973 177.083 175.900 0.350 0.000 1.177 100 Y CA -0.431 57.724 58.100 0.092 0.000 1.305 100 Y CB 0.161 38.592 38.460 -0.048 0.000 1.047 100 Y HN 0.393 nan 8.280 nan 0.000 0.522 101 W N 1.250 122.674 121.300 0.207 0.000 2.101 101 W HA 0.693 5.353 4.660 -0.000 0.000 0.301 101 W C 0.077 176.575 176.519 -0.036 0.000 0.846 101 W CA -2.169 55.255 57.345 0.132 0.000 1.823 101 W CB -0.481 29.045 29.460 0.110 0.000 2.007 101 W HN -0.176 nan 8.180 nan 0.000 0.373 102 A N 2.249 125.108 122.820 0.064 0.000 2.445 102 A HA 0.426 4.746 4.320 -0.000 0.000 0.242 102 A C 1.358 178.875 177.584 -0.112 0.000 1.075 102 A CA 0.167 52.049 52.037 -0.257 0.000 0.777 102 A CB 0.564 19.011 19.000 -0.922 0.000 1.013 102 A HN 0.664 nan 8.150 nan 0.000 0.493 103 R N -0.071 120.367 120.500 -0.102 0.000 2.507 103 R HA 0.281 4.621 4.340 -0.000 0.000 0.230 103 R C -0.849 175.585 176.300 0.224 0.000 0.897 103 R CA 0.091 56.265 56.100 0.123 0.000 1.006 103 R CB 0.652 31.049 30.300 0.161 0.000 1.341 103 R HN 0.505 nan 8.270 nan 0.000 0.604 104 D N 0.133 120.583 120.400 0.083 0.000 2.478 104 D HA 0.192 4.832 4.640 -0.000 0.000 0.240 104 D C -0.628 175.809 176.300 0.228 0.000 1.364 104 D CA -0.662 53.501 54.000 0.272 0.000 0.987 104 D CB 1.041 41.981 40.800 0.233 0.000 1.328 104 D HN -0.002 nan 8.370 nan 0.000 0.584 105 F N 1.611 121.796 119.950 0.392 0.000 2.802 105 F HA 0.085 4.611 4.527 -0.000 0.000 0.300 105 F C 2.132 178.207 175.800 0.459 0.000 1.168 105 F CA 0.381 58.603 58.000 0.370 0.000 1.433 105 F CB 0.371 39.526 39.000 0.258 0.000 1.115 105 F HN 0.083 nan 8.300 nan 0.000 0.582 106 K N 0.182 120.862 120.400 0.467 0.000 2.358 106 K HA 0.212 4.532 4.320 -0.000 0.000 0.197 106 K C 0.283 176.986 176.600 0.172 0.000 1.025 106 K CA 0.243 56.673 56.287 0.238 0.000 1.104 106 K CB 0.574 33.183 32.500 0.181 0.000 0.855 106 K HN 0.228 nan 8.250 nan 0.000 0.531 107 K N 0.649 121.213 120.400 0.272 0.000 2.395 107 K HA 0.269 4.589 4.320 -0.000 0.000 0.245 107 K C -0.134 176.655 176.600 0.315 0.000 1.017 107 K CA -0.586 55.825 56.287 0.207 0.000 0.852 107 K CB 1.751 34.339 32.500 0.148 0.000 1.311 107 K HN -0.054 nan 8.250 nan 0.000 0.452 108 T N -1.487 113.244 114.554 0.295 0.000 2.902 108 T HA 0.185 4.535 4.350 -0.000 0.000 0.280 108 T C 0.175 174.955 174.700 0.133 0.000 0.992 108 T CA -0.852 61.467 62.100 0.367 0.000 1.015 108 T CB 0.776 69.959 68.868 0.525 0.000 1.044 108 T HN 0.429 nan 8.240 nan 0.000 0.520 109 N N 2.517 121.213 118.700 -0.005 0.000 2.401 109 N HA 0.174 4.914 4.740 -0.000 0.000 0.255 109 N C -1.377 173.972 175.510 -0.269 0.000 1.110 109 N CA -2.386 50.493 53.050 -0.284 0.000 0.949 109 N CB 1.080 39.153 38.487 -0.690 0.000 1.110 109 N HN 0.380 nan 8.380 nan 0.000 0.490 110 P HA -0.095 nan 4.420 nan 0.000 0.225 110 P C 0.765 177.961 177.300 -0.173 0.000 1.148 110 P CA 0.705 63.750 63.100 -0.091 0.000 0.779 110 P CB 0.231 31.927 31.700 -0.008 0.000 0.780 111 A N -0.907 121.742 122.820 -0.286 0.000 1.969 111 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 111 A C 2.028 179.548 177.584 -0.107 0.000 1.169 111 A CA 1.107 52.984 52.037 -0.268 0.000 0.635 111 A CB -1.384 17.342 19.000 -0.456 0.000 0.810 111 A HN 0.066 nan 8.150 nan 0.000 0.445 112 Y N -0.761 119.266 120.300 -0.456 0.000 2.231 112 Y HA 0.368 4.917 4.550 -0.000 0.000 0.294 112 Y C 1.600 176.955 175.900 -0.910 0.000 1.120 112 Y CA 0.232 57.786 58.100 -0.910 0.000 1.141 112 Y CB -0.790 36.750 38.460 -1.533 0.000 1.022 112 Y HN 0.415 nan 8.280 nan 0.000 0.523 113 G N -1.212 107.307 108.800 -0.468 0.000 2.324 113 G HA2 0.319 4.279 3.960 -0.000 0.000 0.293 113 G HA3 0.319 4.279 3.960 -0.000 0.000 0.293 113 G C -0.726 174.339 174.900 0.274 0.000 1.297 113 G CA -0.455 44.679 45.100 0.056 0.000 0.853 113 G HN 0.175 nan 8.290 nan 0.000 0.535 114 T N -2.237 112.533 114.554 0.360 0.000 2.810 114 T HA 0.463 4.813 4.350 -0.000 0.000 0.277 114 T C 1.609 176.573 174.700 0.440 0.000 0.973 114 T CA 0.433 62.719 62.100 0.310 0.000 0.949 114 T CB 1.213 70.199 68.868 0.198 0.000 1.075 114 T HN 0.623 nan 8.240 nan 0.000 0.537 115 M N 0.310 120.092 119.600 0.303 0.000 2.213 115 M HA -0.017 4.463 4.480 -0.000 0.000 0.263 115 M C 2.296 178.751 176.300 0.257 0.000 1.062 115 M CA 1.581 57.042 55.300 0.269 0.000 1.105 115 M CB -1.123 31.556 32.600 0.131 0.000 1.385 115 M HN 0.832 nan 8.290 nan 0.000 0.417 116 Q N 0.138 120.061 119.800 0.206 0.000 2.119 116 Q HA -0.149 4.191 4.340 -0.000 0.000 0.201 116 Q C 1.443 177.557 176.000 0.190 0.000 0.972 116 Q CA 1.956 57.856 55.803 0.161 0.000 0.847 116 Q CB -0.338 28.471 28.738 0.120 0.000 0.903 116 Q HN 0.499 nan 8.270 nan 0.000 0.433 117 D N -0.629 119.941 120.400 0.284 0.000 2.144 117 D HA -0.147 4.493 4.640 -0.000 0.000 0.199 117 D C 1.468 177.929 176.300 0.268 0.000 0.984 117 D CA 0.807 55.006 54.000 0.333 0.000 0.834 117 D CB -0.269 40.841 40.800 0.516 0.000 0.955 117 D HN 0.304 nan 8.370 nan 0.000 0.465 118 F N 1.781 121.775 119.950 0.073 0.000 2.113 118 F HA -0.144 4.383 4.527 -0.000 0.000 0.297 118 F C 2.185 177.887 175.800 -0.164 0.000 1.103 118 F CA 1.316 59.123 58.000 -0.320 0.000 1.248 118 F CB 0.193 39.018 39.000 -0.292 0.000 0.999 118 F HN -0.191 nan 8.300 nan 0.000 0.475 119 K N -0.029 120.396 120.400 0.042 0.000 2.057 119 K HA -0.171 4.148 4.320 -0.000 0.000 0.207 119 K C 1.675 178.210 176.600 -0.108 0.000 1.049 119 K CA 1.480 57.744 56.287 -0.038 0.000 0.931 119 K CB -0.383 32.146 32.500 0.048 0.000 0.714 119 K HN 0.243 nan 8.250 nan 0.000 0.440 120 N N 1.344 120.015 118.700 -0.047 0.000 2.166 120 N HA -0.161 4.579 4.740 -0.000 0.000 0.186 120 N C 1.718 177.160 175.510 -0.113 0.000 1.019 120 N CA 0.806 53.831 53.050 -0.042 0.000 0.856 120 N CB -0.286 38.215 38.487 0.023 0.000 0.993 120 N HN 0.077 nan 8.380 nan 0.000 0.426 121 L N 0.841 121.936 121.223 -0.213 0.000 2.056 121 L HA -0.017 4.323 4.340 -0.000 0.000 0.207 121 L C 1.804 178.449 176.870 -0.376 0.000 1.078 121 L CA 1.291 55.956 54.840 -0.290 0.000 0.749 121 L CB -0.443 41.333 42.059 -0.473 0.000 0.901 121 L HN 0.014 nan 8.230 nan 0.000 0.433 122 I N 0.004 120.262 120.570 -0.519 0.000 2.142 122 I HA -0.257 3.913 4.170 -0.000 0.000 0.240 122 I C 2.151 177.949 176.117 -0.532 0.000 1.078 122 I CA 1.394 62.340 61.300 -0.589 0.000 1.343 122 I CB -1.447 36.245 38.000 -0.513 0.000 1.046 122 I HN 0.304 nan 8.210 nan 0.000 0.405 123 D N 0.415 120.644 120.400 -0.284 0.000 2.144 123 D HA -0.120 4.520 4.640 -0.000 0.000 0.200 123 D C 2.194 178.465 176.300 -0.048 0.000 0.978 123 D CA 1.411 55.333 54.000 -0.131 0.000 0.833 123 D CB -0.298 40.470 40.800 -0.054 0.000 0.961 123 D HN 0.265 nan 8.370 nan 0.000 0.470 124 T N 0.518 115.048 114.554 -0.039 0.000 2.777 124 T HA -0.057 4.293 4.350 -0.000 0.000 0.266 124 T C 2.013 176.791 174.700 0.130 0.000 1.040 124 T CA 1.306 63.449 62.100 0.071 0.000 1.141 124 T CB -0.218 68.667 68.868 0.027 0.000 0.868 124 T HN 0.181 nan 8.240 nan 0.000 0.444 125 A N 1.564 124.382 122.820 -0.003 0.000 1.877 125 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 125 A C 2.096 179.774 177.584 0.156 0.000 1.186 125 A CA 1.580 53.642 52.037 0.042 0.000 0.620 125 A CB -0.867 18.105 19.000 -0.047 0.000 0.822 125 A HN 0.469 nan 8.150 nan 0.000 0.443 126 H N -0.136 118.944 119.070 0.016 0.000 2.353 126 H HA 0.032 4.588 4.556 -0.000 0.000 0.300 126 H C 2.437 177.757 175.328 -0.013 0.000 1.090 126 H CA 1.048 57.093 56.048 -0.005 0.000 1.327 126 H CB -0.811 28.940 29.762 -0.019 0.000 1.383 126 H HN 0.494 nan 8.280 nan 0.000 0.508 127 A N 0.584 123.474 122.820 0.118 0.000 2.070 127 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 127 A C 1.365 178.827 177.584 -0.202 0.000 1.159 127 A CA 1.315 53.331 52.037 -0.035 0.000 0.656 127 A CB -0.433 18.536 19.000 -0.051 0.000 0.800 127 A HN 0.514 nan 8.150 nan 0.000 0.453 128 H N -0.638 118.445 119.070 0.022 0.000 2.505 128 H HA 0.103 4.659 4.556 -0.000 0.000 0.286 128 H C -0.148 175.179 175.328 -0.002 0.000 1.072 128 H CA 0.005 56.057 56.048 0.006 0.000 1.141 128 H CB 0.129 29.895 29.762 0.007 0.000 1.550 128 H HN 0.478 nan 8.280 nan 0.000 0.547 129 N N 0.923 119.659 118.700 0.060 0.000 2.735 129 N HA -0.184 4.556 4.740 -0.000 0.000 0.248 129 N C -0.392 175.126 175.510 0.014 0.000 1.083 129 N CA 0.646 53.700 53.050 0.007 0.000 0.703 129 N CB -1.553 36.913 38.487 -0.035 0.000 1.005 129 N HN 0.475 nan 8.380 nan 0.000 0.550 130 I N 0.765 121.382 120.570 0.079 0.000 2.362 130 I HA 0.181 4.351 4.170 -0.000 0.000 0.289 130 I C 0.613 176.815 176.117 0.142 0.000 0.994 130 I CA -0.593 60.754 61.300 0.077 0.000 1.158 130 I CB 1.396 39.444 38.000 0.081 0.000 1.315 130 I HN -0.196 nan 8.210 nan 0.000 0.451 131 K N 4.671 125.127 120.400 0.093 0.000 2.154 131 K HA 0.525 4.845 4.320 -0.000 0.000 0.264 131 K C -0.890 175.868 176.600 0.263 0.000 1.008 131 K CA -0.527 55.862 56.287 0.171 0.000 0.937 131 K CB 1.684 34.186 32.500 0.004 0.000 1.002 131 K HN 0.275 nan 8.250 nan 0.000 0.469 132 V N 4.381 124.466 119.914 0.287 0.000 2.409 132 V HA 0.361 4.481 4.120 -0.000 0.000 0.291 132 V C -0.338 175.918 176.094 0.270 0.000 1.020 132 V CA -0.736 61.686 62.300 0.204 0.000 0.848 132 V CB 1.157 32.994 31.823 0.023 0.000 0.990 132 V HN 0.592 nan 8.190 nan 0.000 0.430 133 I N 6.165 126.908 120.570 0.288 0.000 2.377 133 I HA 0.547 4.717 4.170 -0.000 0.000 0.293 133 I C -0.174 176.075 176.117 0.220 0.000 0.987 133 I CA -0.560 60.874 61.300 0.224 0.000 1.185 133 I CB 1.733 39.856 38.000 0.205 0.000 1.341 133 I HN 0.593 nan 8.210 nan 0.000 0.455 134 I N 1.394 122.050 120.570 0.144 0.000 2.525 134 I HA 0.550 4.720 4.170 -0.000 0.000 0.301 134 I C -0.497 175.680 176.117 0.100 0.000 0.992 134 I CA -0.881 60.510 61.300 0.152 0.000 1.162 134 I CB 1.184 39.236 38.000 0.086 0.000 1.332 134 I HN 0.305 nan 8.210 nan 0.000 0.458 135 D N 3.613 124.113 120.400 0.167 0.000 2.400 135 D HA 0.299 4.939 4.640 -0.000 0.000 0.238 135 D C -1.206 175.210 176.300 0.193 0.000 1.157 135 D CA 0.774 54.869 54.000 0.157 0.000 0.889 135 D CB 1.085 41.988 40.800 0.172 0.000 1.199 135 D HN 0.532 nan 8.370 nan 0.000 0.436 136 F N 0.053 120.020 119.950 0.029 0.000 2.588 136 F HA 0.458 4.985 4.527 -0.000 0.000 0.318 136 F C -1.173 174.699 175.800 0.120 0.000 1.155 136 F CA -0.648 57.398 58.000 0.077 0.000 0.967 136 F CB 1.450 40.504 39.000 0.090 0.000 1.236 136 F HN 0.294 nan 8.300 nan 0.000 0.455 137 A N 7.277 129.977 122.820 -0.199 0.000 2.938 137 A HA 0.462 4.782 4.320 -0.000 0.000 0.344 137 A C -2.429 175.019 177.584 -0.227 0.000 1.142 137 A CA -1.173 50.799 52.037 -0.109 0.000 0.841 137 A CB -0.144 18.856 19.000 0.001 0.000 1.083 137 A HN 0.461 nan 8.150 nan 0.000 0.479 138 P HA -0.025 nan 4.420 nan 0.000 0.253 138 P C 0.562 177.767 177.300 -0.159 0.000 1.260 138 P CA 0.469 63.386 63.100 -0.305 0.000 0.800 138 P CB 0.157 31.713 31.700 -0.241 0.000 1.162 139 N N 0.863 119.458 118.700 -0.174 0.000 2.354 139 N HA -0.092 4.648 4.740 -0.000 0.000 0.179 139 N C 0.619 176.104 175.510 -0.043 0.000 1.021 139 N CA 0.478 53.508 53.050 -0.033 0.000 0.887 139 N CB -0.044 38.483 38.487 0.066 0.000 0.974 139 N HN 0.306 nan 8.380 nan 0.000 0.437 140 H N -4.833 114.283 119.070 0.077 0.000 2.967 140 H HA 0.236 4.791 4.556 -0.000 0.000 0.318 140 H C -0.167 175.288 175.328 0.212 0.000 1.375 140 H CA -0.148 55.957 56.048 0.095 0.000 1.132 140 H CB 0.716 30.503 29.762 0.042 0.000 1.848 140 H HN 0.026 nan 8.280 nan 0.000 0.524 141 T N -0.586 114.189 114.554 0.368 0.000 3.523 141 T HA 0.308 4.658 4.350 -0.000 0.000 0.216 141 T C 0.718 175.591 174.700 0.288 0.000 0.922 141 T CA 0.867 63.161 62.100 0.324 0.000 1.558 141 T CB -0.509 68.557 68.868 0.330 0.000 1.424 141 T HN 0.837 nan 8.240 nan 0.000 0.452 142 S N 0.683 116.417 115.700 0.057 0.000 2.638 142 S HA 0.647 5.117 4.470 -0.000 0.000 0.274 142 S C -3.385 170.989 174.600 -0.378 0.000 1.157 142 S CA -1.626 56.473 58.200 -0.169 0.000 0.826 142 S CB 1.100 64.240 63.200 -0.101 0.000 1.139 142 S HN 0.215 nan 8.310 nan 0.000 0.474 143 P HA 0.392 nan 4.420 nan 0.000 0.261 143 P C -0.955 176.240 177.300 -0.176 0.000 1.183 143 P CA 0.517 63.411 63.100 -0.344 0.000 0.761 143 P CB 0.231 31.698 31.700 -0.387 0.000 0.785 144 A N 2.599 125.371 122.820 -0.081 0.000 2.572 144 A HA 0.704 5.023 4.320 -0.000 0.000 0.295 144 A C -0.953 176.631 177.584 -0.001 0.000 1.072 144 A CA -0.488 51.508 52.037 -0.067 0.000 0.691 144 A CB 1.670 20.397 19.000 -0.456 0.000 1.291 144 A HN 0.329 nan 8.150 nan 0.000 0.404 145 S N 0.057 115.855 115.700 0.162 0.000 2.647 145 S HA 0.469 4.939 4.470 -0.000 0.000 0.300 145 S C 1.002 175.736 174.600 0.223 0.000 1.129 145 S CA 0.191 58.453 58.200 0.104 0.000 1.029 145 S CB 1.095 64.273 63.200 -0.036 0.000 1.007 145 S HN 1.654 nan 8.310 nan 0.000 0.484 146 S N 3.188 119.088 115.700 0.334 0.000 2.447 146 S HA -0.070 4.400 4.470 -0.000 0.000 0.233 146 S C 1.039 175.663 174.600 0.040 0.000 1.006 146 S CA 0.845 59.130 58.200 0.142 0.000 0.957 146 S CB -0.284 62.876 63.200 -0.066 0.000 0.773 146 S HN 0.743 nan 8.310 nan 0.000 0.507 147 D N 1.775 122.195 120.400 0.033 0.000 2.183 147 D HA 0.028 4.668 4.640 -0.000 0.000 0.203 147 D C 0.027 176.330 176.300 0.004 0.000 0.969 147 D CA 1.074 55.073 54.000 -0.002 0.000 0.842 147 D CB -0.152 40.637 40.800 -0.017 0.000 0.957 147 D HN 0.441 nan 8.370 nan 0.000 0.484 148 D N -0.671 119.743 120.400 0.024 0.000 2.446 148 D HA 0.163 4.803 4.640 -0.000 0.000 0.251 148 D C -2.085 174.268 176.300 0.087 0.000 1.137 148 D CA -2.178 51.847 54.000 0.042 0.000 0.890 148 D CB 1.747 42.563 40.800 0.027 0.000 1.071 148 D HN -0.157 nan 8.370 nan 0.000 0.528 149 P HA -0.060 nan 4.420 nan 0.000 0.230 149 P C 0.938 178.276 177.300 0.065 0.000 1.158 149 P CA 0.643 63.778 63.100 0.059 0.000 0.769 149 P CB 0.180 31.897 31.700 0.028 0.000 0.807 150 S N -2.117 113.628 115.700 0.076 0.000 2.575 150 S HA 0.060 4.530 4.470 -0.000 0.000 0.215 150 S C 0.399 175.048 174.600 0.082 0.000 0.966 150 S CA -0.614 57.622 58.200 0.060 0.000 0.911 150 S CB -1.213 62.016 63.200 0.048 0.000 0.780 150 S HN 0.058 nan 8.310 nan 0.000 0.514 151 F N 3.498 123.427 119.950 -0.035 0.000 2.495 151 F HA 0.493 5.020 4.527 -0.000 0.000 0.365 151 F C 1.042 176.800 175.800 -0.071 0.000 1.090 151 F CA 0.045 58.010 58.000 -0.058 0.000 1.235 151 F CB 0.114 39.076 39.000 -0.063 0.000 1.119 151 F HN 0.487 nan 8.300 nan 0.000 0.562 152 A N 4.616 126.907 122.820 -0.882 0.000 5.481 152 A HA -0.370 3.950 4.320 -0.000 0.000 0.318 152 A C 0.910 178.308 177.584 -0.311 0.000 1.837 152 A CA 1.561 53.168 52.037 -0.718 0.000 0.717 152 A CB -1.403 16.938 19.000 -1.099 0.000 1.349 152 A HN 0.853 nan 8.150 nan 0.000 0.388 153 E N 1.040 121.111 120.200 -0.216 0.000 2.585 153 E HA 0.239 4.589 4.350 -0.000 0.000 0.206 153 E C 0.362 176.936 176.600 -0.043 0.000 1.007 153 E CA 0.373 56.736 56.400 -0.061 0.000 1.028 153 E CB -0.180 29.537 29.700 0.028 0.000 1.087 153 E HN 0.648 nan 8.360 nan 0.000 0.455 154 N N 0.651 119.304 118.700 -0.079 0.000 2.721 154 N HA -0.252 4.487 4.740 -0.000 0.000 0.249 154 N C 0.698 176.148 175.510 -0.099 0.000 1.072 154 N CA 0.383 53.414 53.050 -0.033 0.000 0.710 154 N CB -0.818 37.677 38.487 0.014 0.000 0.993 154 N HN 0.579 nan 8.380 nan 0.000 0.547 155 G N -0.005 108.698 108.800 -0.162 0.000 2.187 155 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.261 155 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.261 155 G C 0.231 175.104 174.900 -0.045 0.000 1.000 155 G CA 0.801 45.774 45.100 -0.212 0.000 0.718 155 G HN 0.652 nan 8.290 nan 0.000 0.519 156 R N -0.903 119.617 120.500 0.032 0.000 2.585 156 R HA 0.353 4.692 4.340 -0.000 0.000 0.275 156 R C 0.103 176.476 176.300 0.122 0.000 1.018 156 R CA -0.205 55.928 56.100 0.056 0.000 1.072 156 R CB 0.520 30.812 30.300 -0.013 0.000 0.953 156 R HN 0.255 nan 8.270 nan 0.000 0.419 157 L N 4.123 125.367 121.223 0.036 0.000 2.322 157 L HA 0.390 4.730 4.340 -0.000 0.000 0.281 157 L C -1.478 175.274 176.870 -0.197 0.000 1.014 157 L CA -0.442 54.432 54.840 0.057 0.000 0.815 157 L CB 1.060 43.135 42.059 0.026 0.000 1.247 157 L HN 0.424 nan 8.230 nan 0.000 0.421 158 Y N 2.031 122.370 120.300 0.064 0.000 2.509 158 Y HA 0.483 5.033 4.550 -0.000 0.000 0.341 158 Y C -0.500 175.453 175.900 0.089 0.000 1.038 158 Y CA -0.736 57.400 58.100 0.059 0.000 1.089 158 Y CB 1.819 40.340 38.460 0.102 0.000 1.241 158 Y HN 0.545 nan 8.280 nan 0.000 0.468 159 D N 2.157 122.702 120.400 0.242 0.000 2.464 159 D HA 0.126 4.766 4.640 -0.000 0.000 0.243 159 D C -0.375 176.105 176.300 0.300 0.000 1.104 159 D CA -0.413 53.789 54.000 0.337 0.000 0.883 159 D CB -0.014 40.897 40.800 0.186 0.000 1.050 159 D HN 0.593 nan 8.370 nan 0.000 0.524 160 N N 3.516 122.404 118.700 0.313 0.000 2.716 160 N HA -0.245 4.494 4.740 -0.000 0.000 0.250 160 N C 0.963 176.572 175.510 0.164 0.000 1.033 160 N CA 2.057 55.229 53.050 0.203 0.000 0.727 160 N CB -1.073 37.507 38.487 0.155 0.000 0.950 160 N HN 0.835 nan 8.380 nan 0.000 0.541 161 G N -1.414 107.503 108.800 0.195 0.000 2.258 161 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.233 161 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.233 161 G C -0.030 175.030 174.900 0.267 0.000 1.006 161 G CA 0.182 45.373 45.100 0.150 0.000 0.620 161 G HN 0.818 nan 8.290 nan 0.000 0.511 162 N N 0.739 119.590 118.700 0.251 0.000 2.422 162 N HA 0.510 5.250 4.740 -0.000 0.000 0.264 162 N C 0.090 175.708 175.510 0.181 0.000 1.063 162 N CA -0.595 52.577 53.050 0.202 0.000 0.959 162 N CB 0.882 39.441 38.487 0.120 0.000 1.087 162 N HN 0.400 nan 8.380 nan 0.000 0.483 163 L N 4.830 126.113 121.223 0.100 0.000 2.477 163 L HA 0.135 4.474 4.340 -0.000 0.000 0.272 163 L C 0.578 177.331 176.870 -0.195 0.000 1.157 163 L CA 0.539 55.217 54.840 -0.271 0.000 0.889 163 L CB 0.130 42.029 42.059 -0.266 0.000 1.158 163 L HN 0.713 nan 8.230 nan 0.000 0.473 164 L N 4.663 125.732 121.223 -0.256 0.000 2.168 164 L HA 0.408 4.747 4.340 -0.000 0.000 0.203 164 L C 1.112 177.891 176.870 -0.153 0.000 1.078 164 L CA 0.624 55.348 54.840 -0.193 0.000 0.780 164 L CB -0.483 41.416 42.059 -0.266 0.000 0.939 164 L HN 0.864 nan 8.230 nan 0.000 0.451 165 G N -1.518 107.196 108.800 -0.143 0.000 2.316 165 G HA2 0.420 4.380 3.960 -0.000 0.000 0.296 165 G HA3 0.420 4.380 3.960 -0.000 0.000 0.296 165 G C -1.426 173.533 174.900 0.099 0.000 1.399 165 G CA -0.184 44.902 45.100 -0.023 0.000 0.833 165 G HN 0.179 nan 8.290 nan 0.000 0.565 166 G N -1.961 106.918 108.800 0.133 0.000 2.816 166 G HA2 0.522 4.481 3.960 -0.000 0.000 0.288 166 G HA3 0.522 4.481 3.960 -0.000 0.000 0.288 166 G C 0.093 175.031 174.900 0.064 0.000 1.334 166 G CA -0.288 44.867 45.100 0.091 0.000 0.978 166 G HN 0.677 nan 8.290 nan 0.000 0.493 167 Y N 0.096 120.213 120.300 -0.305 0.000 2.337 167 Y HA 0.162 4.712 4.550 -0.000 0.000 0.293 167 Y C 1.827 177.695 175.900 -0.053 0.000 1.123 167 Y CA 1.085 58.980 58.100 -0.341 0.000 1.201 167 Y CB 0.084 38.266 38.460 -0.464 0.000 1.011 167 Y HN 0.315 nan 8.280 nan 0.000 0.545 168 T N 1.532 116.073 114.554 -0.022 0.000 2.869 168 T HA 0.092 4.441 4.350 -0.000 0.000 0.295 168 T C 0.014 174.662 174.700 -0.087 0.000 0.987 168 T CA -0.080 61.975 62.100 -0.075 0.000 1.109 168 T CB 0.369 69.225 68.868 -0.019 0.000 0.932 168 T HN 0.377 nan 8.240 nan 0.000 0.518 169 N N 1.469 120.087 118.700 -0.136 0.000 2.738 169 N HA -0.160 4.580 4.740 -0.000 0.000 0.249 169 N C -0.952 174.508 175.510 -0.084 0.000 1.047 169 N CA 0.265 53.248 53.050 -0.112 0.000 0.707 169 N CB -0.525 37.921 38.487 -0.068 0.000 0.937 169 N HN 0.612 nan 8.380 nan 0.000 0.545 170 D N -0.437 119.894 120.400 -0.115 0.000 2.551 170 D HA 0.134 4.774 4.640 -0.000 0.000 0.223 170 D C 1.392 177.652 176.300 -0.067 0.000 1.144 170 D CA 0.367 54.356 54.000 -0.018 0.000 1.025 170 D CB 0.041 40.921 40.800 0.134 0.000 1.085 170 D HN 0.394 nan 8.370 nan 0.000 0.506 171 T N -0.340 114.176 114.554 -0.062 0.000 2.951 171 T HA -0.173 4.176 4.350 -0.000 0.000 0.268 171 T C 1.551 176.223 174.700 -0.047 0.000 1.073 171 T CA 0.854 62.914 62.100 -0.066 0.000 1.134 171 T CB -0.135 68.700 68.868 -0.056 0.000 0.884 171 T HN 0.319 nan 8.240 nan 0.000 0.479 172 Q N 0.967 120.746 119.800 -0.036 0.000 2.472 172 Q HA 0.146 4.486 4.340 -0.000 0.000 0.208 172 Q C 0.036 176.012 176.000 -0.041 0.000 0.958 172 Q CA -0.175 55.604 55.803 -0.040 0.000 0.932 172 Q CB -0.086 28.620 28.738 -0.053 0.000 1.007 172 Q HN 0.504 nan 8.270 nan 0.000 0.508 173 N N 0.584 119.274 118.700 -0.016 0.000 2.714 173 N HA -0.202 4.538 4.740 -0.000 0.000 0.253 173 N C 0.195 175.657 175.510 -0.080 0.000 1.024 173 N CA 0.318 53.372 53.050 0.007 0.000 0.726 173 N CB -0.958 37.529 38.487 -0.000 0.000 0.908 173 N HN 0.369 nan 8.380 nan 0.000 0.542 174 L N -1.575 119.556 121.223 -0.155 0.000 2.291 174 L HA 0.074 4.414 4.340 -0.000 0.000 0.214 174 L C 0.628 177.056 176.870 -0.735 0.000 1.120 174 L CA 1.105 55.661 54.840 -0.473 0.000 0.799 174 L CB -0.093 41.567 42.059 -0.664 0.000 0.925 174 L HN 0.114 nan 8.230 nan 0.000 0.446 175 F N -2.449 117.411 119.950 -0.149 0.000 2.611 175 F HA 0.378 4.904 4.527 -0.000 0.000 0.324 175 F C 0.385 175.982 175.800 -0.337 0.000 1.061 175 F CA -0.960 56.889 58.000 -0.253 0.000 0.954 175 F CB 0.934 39.869 39.000 -0.107 0.000 1.301 175 F HN -0.211 nan 8.300 nan 0.000 0.482 176 H N -0.581 118.453 119.070 -0.060 0.000 2.610 176 H HA 0.282 4.838 4.556 -0.000 0.000 0.336 176 H C -0.999 174.018 175.328 -0.519 0.000 1.087 176 H CA -0.265 55.666 56.048 -0.194 0.000 1.405 176 H CB 0.579 30.399 29.762 0.097 0.000 1.460 176 H HN 0.529 nan 8.280 nan 0.000 0.538 177 H N 3.269 122.119 119.070 -0.367 0.000 2.386 177 H HA 0.118 4.674 4.556 -0.000 0.000 0.232 177 H C -0.824 174.223 175.328 -0.469 0.000 1.416 177 H CA -0.101 55.745 56.048 -0.338 0.000 1.285 177 H CB 0.013 29.537 29.762 -0.397 0.000 1.625 177 H HN 0.663 nan 8.280 nan 0.000 0.521 178 Y N -0.027 120.320 120.300 0.078 0.000 2.612 178 Y HA 0.391 4.941 4.550 -0.000 0.000 0.250 178 Y C 1.463 177.359 175.900 -0.006 0.000 1.175 178 Y CA 0.119 58.222 58.100 0.005 0.000 1.205 178 Y CB 0.798 39.228 38.460 -0.050 0.000 1.201 178 Y HN 0.643 nan 8.280 nan 0.000 0.532 179 G N 0.027 108.895 108.800 0.113 0.000 2.660 179 G HA2 0.081 4.041 3.960 -0.000 0.000 0.247 179 G HA3 0.081 4.041 3.960 -0.000 0.000 0.247 179 G C 0.008 174.915 174.900 0.012 0.000 1.328 179 G CA -0.675 44.458 45.100 0.054 0.000 0.884 179 G HN 0.598 nan 8.290 nan 0.000 0.531 180 G N -1.058 107.713 108.800 -0.049 0.000 2.410 180 G HA2 0.702 4.662 3.960 -0.000 0.000 0.330 180 G HA3 0.702 4.662 3.960 -0.000 0.000 0.330 180 G C 0.243 175.024 174.900 -0.197 0.000 1.142 180 G CA 0.967 45.988 45.100 -0.132 0.000 0.902 180 G HN 1.349 nan 8.290 nan 0.000 0.491 181 T N -0.748 113.589 114.554 -0.361 0.000 2.898 181 T HA 0.235 4.585 4.350 -0.000 0.000 0.301 181 T C 0.837 175.240 174.700 -0.495 0.000 1.049 181 T CA 0.143 61.953 62.100 -0.484 0.000 1.095 181 T CB 0.778 69.190 68.868 -0.760 0.000 0.976 181 T HN 0.590 nan 8.240 nan 0.000 0.539 182 D N 2.050 122.257 120.400 -0.322 0.000 2.395 182 D HA 0.075 4.715 4.640 -0.000 0.000 0.213 182 D C 0.660 176.987 176.300 0.045 0.000 1.110 182 D CA -0.356 53.582 54.000 -0.102 0.000 0.835 182 D CB -0.678 40.104 40.800 -0.029 0.000 0.965 182 D HN 0.639 nan 8.370 nan 0.000 0.505 183 F N 0.416 120.330 119.950 -0.060 0.000 3.021 183 F HA -0.340 4.187 4.527 -0.000 0.000 0.294 183 F C 1.970 177.753 175.800 -0.028 0.000 0.761 183 F CA 0.733 58.709 58.000 -0.041 0.000 1.102 183 F CB -2.419 36.560 39.000 -0.035 0.000 1.380 183 F HN 0.155 nan 8.300 nan 0.000 0.387 184 S N -1.186 114.560 115.700 0.076 0.000 2.382 184 S HA -0.041 4.429 4.470 -0.000 0.000 0.228 184 S C 0.991 175.610 174.600 0.032 0.000 1.027 184 S CA 1.360 59.589 58.200 0.048 0.000 0.991 184 S CB -0.319 62.886 63.200 0.009 0.000 0.823 184 S HN 0.636 nan 8.310 nan 0.000 0.469 185 T N -2.408 112.145 114.554 -0.002 0.000 2.901 185 T HA 0.654 5.004 4.350 -0.000 0.000 0.293 185 T C 0.902 175.579 174.700 -0.039 0.000 1.084 185 T CA -0.858 61.233 62.100 -0.014 0.000 1.008 185 T CB 0.983 69.818 68.868 -0.055 0.000 1.170 185 T HN 0.018 nan 8.240 nan 0.000 0.509 186 I N 0.492 121.045 120.570 -0.028 0.000 2.226 186 I HA -0.116 4.053 4.170 -0.000 0.000 0.245 186 I C 2.820 178.828 176.117 -0.181 0.000 1.100 186 I CA 1.650 62.913 61.300 -0.063 0.000 1.374 186 I CB -0.287 37.752 38.000 0.066 0.000 1.057 186 I HN 0.916 nan 8.210 nan 0.000 0.413 187 E N 1.447 121.431 120.200 -0.360 0.000 2.049 187 E HA -0.315 4.035 4.350 -0.000 0.000 0.198 187 E C 2.090 178.549 176.600 -0.235 0.000 1.007 187 E CA 1.642 57.676 56.400 -0.610 0.000 0.809 187 E CB -0.189 28.996 29.700 -0.858 0.000 0.749 187 E HN 0.391 nan 8.360 nan 0.000 0.450 188 N N 0.126 118.716 118.700 -0.183 0.000 2.069 188 N HA -0.147 4.592 4.740 -0.000 0.000 0.191 188 N C 1.952 177.364 175.510 -0.164 0.000 1.031 188 N CA 1.695 54.660 53.050 -0.141 0.000 0.852 188 N CB -0.464 37.946 38.487 -0.128 0.000 1.018 188 N HN 0.273 nan 8.380 nan 0.000 0.423 189 G N 0.537 109.246 108.800 -0.153 0.000 2.471 189 G HA2 -0.073 3.886 3.960 -0.000 0.000 0.219 189 G HA3 -0.073 3.886 3.960 -0.000 0.000 0.219 189 G C 1.753 176.642 174.900 -0.019 0.000 1.125 189 G CA 0.207 45.249 45.100 -0.098 0.000 0.775 189 G HN 0.340 nan 8.290 nan 0.000 0.548 190 I N -1.304 119.165 120.570 -0.167 0.000 2.339 190 I HA 0.024 4.194 4.170 -0.000 0.000 0.245 190 I C 1.911 177.770 176.117 -0.430 0.000 1.096 190 I CA 0.727 61.835 61.300 -0.320 0.000 1.408 190 I CB 0.054 37.744 38.000 -0.517 0.000 1.092 190 I HN 0.105 nan 8.210 nan 0.000 0.423 191 Y N 0.854 121.110 120.300 -0.073 0.000 2.478 191 Y HA 0.210 4.760 4.550 -0.000 0.000 0.261 191 Y C 0.971 176.829 175.900 -0.070 0.000 1.127 191 Y CA -0.068 57.911 58.100 -0.200 0.000 1.288 191 Y CB 0.018 38.234 38.460 -0.406 0.000 1.084 191 Y HN -0.094 nan 8.280 nan 0.000 0.530 192 K N 0.910 121.328 120.400 0.030 0.000 2.106 192 K HA 0.211 4.531 4.320 -0.000 0.000 0.246 192 K C -0.478 176.093 176.600 -0.048 0.000 0.987 192 K CA -0.950 55.356 56.287 0.031 0.000 0.904 192 K CB 0.542 32.997 32.500 -0.075 0.000 1.071 192 K HN -0.051 nan 8.250 nan 0.000 0.453 193 N N 1.320 119.978 118.700 -0.071 0.000 2.518 193 N HA 0.088 4.828 4.740 -0.000 0.000 0.266 193 N C -0.344 174.962 175.510 -0.340 0.000 1.196 193 N CA -0.052 52.906 53.050 -0.154 0.000 0.947 193 N CB 0.332 38.726 38.487 -0.155 0.000 1.098 193 N HN 0.330 nan 8.380 nan 0.000 0.450 194 L N 4.197 125.161 121.223 -0.433 0.000 2.385 194 L HA 0.091 4.431 4.340 -0.000 0.000 0.281 194 L C 0.128 176.612 176.870 -0.644 0.000 1.106 194 L CA 0.006 54.380 54.840 -0.776 0.000 0.856 194 L CB -0.559 41.020 42.059 -0.800 0.000 1.186 194 L HN 0.548 nan 8.230 nan 0.000 0.453 195 Y N 1.380 121.567 120.300 -0.189 0.000 2.852 195 Y HA -0.432 4.117 4.550 -0.000 0.000 0.469 195 Y C 1.308 177.104 175.900 -0.173 0.000 1.168 195 Y CA 1.151 59.161 58.100 -0.150 0.000 2.632 195 Y CB -1.185 37.191 38.460 -0.141 0.000 1.196 195 Y HN 0.808 nan 8.280 nan 0.000 0.624 196 D N 0.718 121.128 120.400 0.017 0.000 2.479 196 D HA 0.269 4.909 4.640 -0.000 0.000 0.218 196 D C -0.282 175.898 176.300 -0.200 0.000 1.177 196 D CA 0.002 53.945 54.000 -0.095 0.000 0.830 196 D CB -0.525 40.258 40.800 -0.028 0.000 1.014 196 D HN 0.428 nan 8.370 nan 0.000 0.503 197 L N 1.326 122.422 121.223 -0.212 0.000 2.360 197 L HA 0.416 4.755 4.340 -0.000 0.000 0.276 197 L C 0.711 177.398 176.870 -0.305 0.000 1.121 197 L CA -0.852 53.819 54.840 -0.282 0.000 0.845 197 L CB 0.914 42.752 42.059 -0.369 0.000 1.143 197 L HN 0.023 nan 8.230 nan 0.000 0.452 198 A N 2.899 125.477 122.820 -0.403 0.000 2.496 198 A HA 0.027 4.346 4.320 -0.000 0.000 0.278 198 A C -0.042 177.524 177.584 -0.030 0.000 1.137 198 A CA -0.278 51.414 52.037 -0.574 0.000 0.805 198 A CB -0.375 18.099 19.000 -0.877 0.000 1.077 198 A HN 0.727 nan 8.150 nan 0.000 0.513 199 D N 2.550 122.958 120.400 0.013 0.000 2.358 199 D HA 0.310 4.950 4.640 -0.000 0.000 0.258 199 D C 0.154 176.456 176.300 0.003 0.000 1.223 199 D CA 0.335 54.377 54.000 0.070 0.000 0.886 199 D CB 0.288 41.151 40.800 0.106 0.000 1.120 199 D HN 0.488 nan 8.370 nan 0.000 0.482 200 L N 3.412 124.521 121.223 -0.191 0.000 2.439 200 L HA 0.126 4.466 4.340 -0.000 0.000 0.269 200 L C 0.699 176.981 176.870 -0.980 0.000 1.179 200 L CA -0.258 54.235 54.840 -0.579 0.000 0.828 200 L CB 0.413 42.074 42.059 -0.663 0.000 1.106 200 L HN 0.412 nan 8.230 nan 0.000 0.467 201 N N 0.750 118.902 118.700 -0.913 0.000 2.558 201 N HA 0.126 4.866 4.740 -0.000 0.000 0.233 201 N C 0.447 175.602 175.510 -0.592 0.000 1.038 201 N CA -0.200 52.396 53.050 -0.758 0.000 0.934 201 N CB 0.368 38.608 38.487 -0.411 0.000 1.175 201 N HN 0.428 nan 8.380 nan 0.000 0.512 202 H N 1.048 119.878 119.070 -0.399 0.000 2.546 202 H HA 0.024 4.580 4.556 -0.000 0.000 0.277 202 H C 1.127 176.346 175.328 -0.182 0.000 1.004 202 H CA 0.572 56.288 56.048 -0.553 0.000 1.231 202 H CB 0.308 29.345 29.762 -1.209 0.000 1.382 202 H HN 0.513 nan 8.280 nan 0.000 0.580 203 N N 0.666 119.407 118.700 0.068 0.000 2.467 203 N HA -0.111 4.629 4.740 -0.000 0.000 0.184 203 N C 0.115 175.668 175.510 0.071 0.000 1.106 203 N CA -0.026 53.107 53.050 0.138 0.000 0.892 203 N CB 0.101 38.705 38.487 0.194 0.000 0.969 203 N HN 0.176 nan 8.380 nan 0.000 0.454 204 N N 0.210 118.904 118.700 -0.010 0.000 2.430 204 N HA 0.032 4.772 4.740 -0.000 0.000 0.265 204 N C 0.171 175.683 175.510 0.005 0.000 1.100 204 N CA 0.174 53.208 53.050 -0.027 0.000 0.961 204 N CB 1.151 39.571 38.487 -0.110 0.000 1.075 204 N HN 0.018 nan 8.380 nan 0.000 0.478 205 S N 2.222 117.945 115.700 0.038 0.000 2.400 205 S HA -0.132 4.338 4.470 -0.000 0.000 0.232 205 S C 1.713 176.350 174.600 0.062 0.000 1.025 205 S CA 1.489 59.730 58.200 0.068 0.000 0.993 205 S CB 0.041 63.279 63.200 0.064 0.000 0.808 205 S HN 0.735 nan 8.310 nan 0.000 0.478 206 S N 1.047 116.757 115.700 0.018 0.000 2.368 206 S HA -0.031 4.438 4.470 -0.000 0.000 0.224 206 S C 1.971 176.588 174.600 0.029 0.000 1.029 206 S CA 0.950 59.159 58.200 0.014 0.000 0.988 206 S CB -0.457 62.716 63.200 -0.046 0.000 0.838 206 S HN 0.347 nan 8.310 nan 0.000 0.462 207 V N 2.505 122.392 119.914 -0.045 0.000 2.307 207 V HA -0.186 3.934 4.120 -0.000 0.000 0.245 207 V C 2.401 178.552 176.094 0.094 0.000 1.045 207 V CA 2.123 64.383 62.300 -0.067 0.000 1.024 207 V CB -0.830 30.828 31.823 -0.275 0.000 0.651 207 V HN 0.455 nan 8.190 nan 0.000 0.449 208 D N 0.167 120.646 120.400 0.132 0.000 2.106 208 D HA -0.186 4.454 4.640 -0.000 0.000 0.191 208 D C 1.986 178.485 176.300 0.332 0.000 0.997 208 D CA 1.951 56.156 54.000 0.341 0.000 0.834 208 D CB -0.156 40.851 40.800 0.346 0.000 0.956 208 D HN 0.183 nan 8.370 nan 0.000 0.448 209 V N -0.247 119.801 119.914 0.223 0.000 2.427 209 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 209 V C 2.076 178.284 176.094 0.190 0.000 1.051 209 V CA 1.773 64.179 62.300 0.177 0.000 1.048 209 V CB -0.856 31.044 31.823 0.128 0.000 0.666 209 V HN 0.353 nan 8.190 nan 0.000 0.456 210 Y N 0.645 120.994 120.300 0.081 0.000 2.145 210 Y HA -0.223 4.327 4.550 -0.000 0.000 0.286 210 Y C 2.155 178.123 175.900 0.113 0.000 1.145 210 Y CA 1.766 59.910 58.100 0.075 0.000 1.148 210 Y CB -0.283 38.196 38.460 0.032 0.000 0.981 210 Y HN 0.159 nan 8.280 nan 0.000 0.507 211 L N 0.001 121.268 121.223 0.073 0.000 2.141 211 L HA -0.179 4.160 4.340 -0.000 0.000 0.209 211 L C 2.398 179.416 176.870 0.247 0.000 1.094 211 L CA 1.442 56.312 54.840 0.051 0.000 0.763 211 L CB -0.421 41.756 42.059 0.196 0.000 0.908 211 L HN 0.148 nan 8.230 nan 0.000 0.437 212 K N -0.289 120.267 120.400 0.261 0.000 2.062 212 K HA -0.132 4.188 4.320 -0.000 0.000 0.205 212 K C 1.660 178.260 176.600 -0.001 0.000 1.051 212 K CA 1.199 57.585 56.287 0.165 0.000 0.941 212 K CB -0.070 32.508 32.500 0.131 0.000 0.719 212 K HN 0.191 nan 8.250 nan 0.000 0.440 213 D N 0.793 121.178 120.400 -0.025 0.000 2.144 213 D HA -0.121 4.519 4.640 -0.000 0.000 0.199 213 D C 1.797 178.040 176.300 -0.095 0.000 0.984 213 D CA 1.193 55.144 54.000 -0.083 0.000 0.834 213 D CB -0.135 40.637 40.800 -0.047 0.000 0.955 213 D HN 0.190 nan 8.370 nan 0.000 0.465 214 A N 0.635 123.397 122.820 -0.098 0.000 1.873 214 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 214 A C 2.210 179.897 177.584 0.172 0.000 1.186 214 A CA 0.873 52.928 52.037 0.030 0.000 0.616 214 A CB -0.624 18.428 19.000 0.087 0.000 0.823 214 A HN 0.193 nan 8.150 nan 0.000 0.442 215 I N -0.087 120.520 120.570 0.061 0.000 2.315 215 I HA -0.174 3.995 4.170 -0.000 0.000 0.248 215 I C 2.121 178.209 176.117 -0.048 0.000 1.117 215 I CA 1.518 62.738 61.300 -0.134 0.000 1.404 215 I CB -0.278 37.517 38.000 -0.341 0.000 1.071 215 I HN 0.252 nan 8.210 nan 0.000 0.419 216 K N -0.447 119.891 120.400 -0.104 0.000 2.097 216 K HA -0.210 4.110 4.320 -0.000 0.000 0.206 216 K C 2.163 178.751 176.600 -0.021 0.000 1.049 216 K CA 1.784 57.998 56.287 -0.121 0.000 0.933 216 K CB -0.315 31.932 32.500 -0.421 0.000 0.717 216 K HN 0.397 nan 8.250 nan 0.000 0.442 217 M N -0.346 119.196 119.600 -0.097 0.000 2.117 217 M HA -0.185 4.295 4.480 -0.000 0.000 0.262 217 M C 1.393 177.560 176.300 -0.222 0.000 1.065 217 M CA 1.817 57.000 55.300 -0.195 0.000 1.114 217 M CB -0.150 32.244 32.600 -0.343 0.000 1.361 217 M HN 0.218 nan 8.290 nan 0.000 0.408 218 W N 0.492 121.798 121.300 0.010 0.000 2.402 218 W HA -0.082 4.578 4.660 -0.000 0.000 0.286 218 W C 2.006 178.571 176.519 0.077 0.000 1.221 218 W CA 0.571 57.933 57.345 0.029 0.000 1.257 218 W CB -0.354 29.101 29.460 -0.009 0.000 1.120 218 W HN 0.197 nan 8.180 nan 0.000 0.551 219 L N -0.214 121.149 121.223 0.232 0.000 2.093 219 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 219 L C 1.785 178.759 176.870 0.172 0.000 1.085 219 L CA 1.038 55.994 54.840 0.194 0.000 0.755 219 L CB -0.701 41.474 42.059 0.195 0.000 0.904 219 L HN -0.121 nan 8.230 nan 0.000 0.435 220 D N 0.231 120.727 120.400 0.159 0.000 2.219 220 D HA -0.100 4.540 4.640 -0.000 0.000 0.205 220 D C 2.151 178.507 176.300 0.093 0.000 0.970 220 D CA 1.036 55.104 54.000 0.113 0.000 0.851 220 D CB -0.013 40.839 40.800 0.087 0.000 0.943 220 D HN 0.288 nan 8.370 nan 0.000 0.488 221 L N -0.709 120.586 121.223 0.119 0.000 2.610 221 L HA 0.154 4.494 4.340 -0.000 0.000 0.232 221 L C 1.377 178.367 176.870 0.201 0.000 1.149 221 L CA 0.420 55.362 54.840 0.169 0.000 0.872 221 L CB -0.043 42.167 42.059 0.252 0.000 0.992 221 L HN 0.128 nan 8.230 nan 0.000 0.447 222 G N 0.253 109.169 108.800 0.193 0.000 2.134 222 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.209 222 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.209 222 G C 0.315 175.355 174.900 0.234 0.000 0.993 222 G CA 0.009 45.226 45.100 0.194 0.000 0.669 222 G HN 0.191 nan 8.290 nan 0.000 0.519 223 V N -2.168 117.906 119.914 0.268 0.000 2.963 223 V HA 0.536 4.656 4.120 -0.000 0.000 0.306 223 V C 0.849 177.094 176.094 0.251 0.000 1.077 223 V CA 0.706 63.167 62.300 0.267 0.000 1.124 223 V CB 1.283 33.298 31.823 0.320 0.000 0.987 223 V HN 0.139 nan 8.190 nan 0.000 0.487 224 D N 2.048 122.624 120.400 0.293 0.000 2.441 224 D HA 0.340 4.980 4.640 -0.000 0.000 0.210 224 D C 0.644 177.180 176.300 0.394 0.000 1.102 224 D CA 1.122 55.334 54.000 0.352 0.000 0.840 224 D CB 1.350 42.404 40.800 0.423 0.000 0.990 224 D HN 0.953 nan 8.370 nan 0.000 0.505 225 G N 0.452 109.399 108.800 0.245 0.000 2.646 225 G HA2 0.592 4.552 3.960 -0.000 0.000 0.291 225 G HA3 0.592 4.552 3.960 -0.000 0.000 0.291 225 G C -1.753 173.133 174.900 -0.024 0.000 1.445 225 G CA -0.630 44.515 45.100 0.075 0.000 0.814 225 G HN -0.004 nan 8.290 nan 0.000 0.495 226 I N 0.562 121.018 120.570 -0.189 0.000 2.569 226 I HA 0.481 4.651 4.170 -0.000 0.000 0.290 226 I C -0.428 175.327 176.117 -0.603 0.000 1.088 226 I CA -0.921 60.228 61.300 -0.250 0.000 1.047 226 I CB 2.454 40.355 38.000 -0.165 0.000 1.237 226 I HN 0.263 nan 8.210 nan 0.000 0.421 227 R N 5.936 126.030 120.500 -0.677 0.000 2.265 227 R HA 0.535 4.875 4.340 -0.000 0.000 0.328 227 R C -1.590 174.500 176.300 -0.350 0.000 0.969 227 R CA -0.574 54.887 56.100 -1.066 0.000 0.832 227 R CB 1.472 31.000 30.300 -1.287 0.000 1.139 227 R HN 0.426 nan 8.270 nan 0.000 0.457 228 V N 4.448 124.221 119.914 -0.236 0.000 2.406 228 V HA 0.081 4.201 4.120 -0.000 0.000 0.272 228 V C 0.428 176.556 176.094 0.057 0.000 1.043 228 V CA -0.722 61.599 62.300 0.033 0.000 0.915 228 V CB 1.307 33.209 31.823 0.130 0.000 0.988 228 V HN 0.669 nan 8.190 nan 0.000 0.466 229 D N 4.277 124.738 120.400 0.102 0.000 2.345 229 D HA 0.468 5.108 4.640 -0.000 0.000 0.247 229 D C 0.759 177.118 176.300 0.099 0.000 1.108 229 D CA 0.660 54.730 54.000 0.116 0.000 0.894 229 D CB 0.982 41.853 40.800 0.118 0.000 1.203 229 D HN 1.103 nan 8.370 nan 0.000 0.430 230 A N 2.515 125.406 122.820 0.117 0.000 2.687 230 A HA -0.174 4.146 4.320 -0.000 0.000 0.299 230 A C 1.490 179.079 177.584 0.008 0.000 1.497 230 A CA 0.937 53.051 52.037 0.129 0.000 0.751 230 A CB -2.391 16.727 19.000 0.197 0.000 1.048 230 A HN 1.129 nan 8.150 nan 0.000 0.464 231 V N -2.071 117.799 119.914 -0.073 0.000 2.720 231 V HA -0.149 3.971 4.120 -0.000 0.000 0.256 231 V C 1.902 177.714 176.094 -0.471 0.000 1.082 231 V CA 2.480 64.657 62.300 -0.205 0.000 1.101 231 V CB -0.636 31.014 31.823 -0.289 0.000 0.693 231 V HN 0.653 nan 8.190 nan 0.000 0.479 232 K N -0.846 119.108 120.400 -0.743 0.000 2.365 232 K HA -0.082 4.238 4.320 -0.000 0.000 0.199 232 K C 1.472 177.501 176.600 -0.951 0.000 1.045 232 K CA 1.006 56.536 56.287 -1.260 0.000 0.962 232 K CB -0.080 31.410 32.500 -1.683 0.000 0.759 232 K HN 0.670 nan 8.250 nan 0.000 0.469 233 H N -1.065 117.841 119.070 -0.273 0.000 2.592 233 H HA 0.254 4.810 4.556 -0.000 0.000 0.279 233 H C -0.222 175.023 175.328 -0.139 0.000 1.089 233 H CA 0.059 55.992 56.048 -0.192 0.000 1.150 233 H CB 0.348 30.023 29.762 -0.145 0.000 1.575 233 H HN 0.103 nan 8.280 nan 0.000 0.547 234 M N 0.803 120.373 119.600 -0.048 0.000 2.591 234 M HA 0.360 4.840 4.480 -0.000 0.000 0.306 234 M C -2.592 173.733 176.300 0.042 0.000 1.190 234 M CA -1.900 53.392 55.300 -0.013 0.000 0.889 234 M CB 2.868 35.461 32.600 -0.011 0.000 1.728 234 M HN -0.211 nan 8.290 nan 0.000 0.458 235 P HA -0.021 nan 4.420 nan 0.000 0.264 235 P C 0.018 177.494 177.300 0.293 0.000 1.193 235 P CA 0.092 63.309 63.100 0.195 0.000 0.763 235 P CB 0.212 32.069 31.700 0.261 0.000 0.810 236 F N 4.401 124.476 119.950 0.209 0.000 2.126 236 F HA -0.151 4.376 4.527 -0.000 0.000 0.299 236 F C 2.108 178.017 175.800 0.182 0.000 1.096 236 F CA 2.478 60.655 58.000 0.295 0.000 1.255 236 F CB -0.866 38.325 39.000 0.319 0.000 0.997 236 F HN 0.368 nan 8.300 nan 0.000 0.479 237 G N -0.863 108.146 108.800 0.349 0.000 2.422 237 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.218 237 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.218 237 G C 1.456 176.437 174.900 0.136 0.000 1.146 237 G CA 0.709 45.957 45.100 0.248 0.000 0.769 237 G HN 0.621 nan 8.290 nan 0.000 0.547 238 W N 1.238 122.564 121.300 0.044 0.000 2.381 238 W HA -0.015 4.645 4.660 -0.000 0.000 0.301 238 W C 2.788 179.292 176.519 -0.025 0.000 1.205 238 W CA 1.541 58.892 57.345 0.011 0.000 1.285 238 W CB -0.048 29.389 29.460 -0.038 0.000 1.133 238 W HN 0.270 nan 8.180 nan 0.000 0.521 239 Q N 0.190 119.972 119.800 -0.029 0.000 2.170 239 Q HA -0.242 4.098 4.340 -0.000 0.000 0.203 239 Q C 2.146 177.969 176.000 -0.294 0.000 0.976 239 Q CA 1.718 57.423 55.803 -0.162 0.000 0.858 239 Q CB -0.391 28.397 28.738 0.084 0.000 0.907 239 Q HN 0.329 nan 8.270 nan 0.000 0.433 240 K N 0.696 120.856 120.400 -0.400 0.000 2.148 240 K HA -0.135 4.185 4.320 -0.000 0.000 0.204 240 K C 2.208 178.645 176.600 -0.271 0.000 1.050 240 K CA 1.513 57.570 56.287 -0.384 0.000 0.942 240 K CB 0.034 32.312 32.500 -0.371 0.000 0.724 240 K HN 0.193 nan 8.250 nan 0.000 0.446 241 S N -0.139 115.396 115.700 -0.274 0.000 2.414 241 S HA -0.118 4.352 4.470 -0.000 0.000 0.227 241 S C 1.855 176.255 174.600 -0.334 0.000 1.022 241 S CA 0.365 58.415 58.200 -0.250 0.000 0.958 241 S CB -0.563 62.517 63.200 -0.199 0.000 0.797 241 S HN 0.382 nan 8.310 nan 0.000 0.493 242 F N 2.634 122.141 119.950 -0.738 0.000 2.095 242 F HA -0.009 4.517 4.527 -0.000 0.000 0.298 242 F C 2.297 177.854 175.800 -0.405 0.000 1.104 242 F CA 1.480 59.045 58.000 -0.725 0.000 1.232 242 F CB -0.423 37.907 39.000 -1.118 0.000 0.987 242 F HN 0.095 nan 8.300 nan 0.000 0.475 243 M N 0.402 119.771 119.600 -0.386 0.000 2.159 243 M HA -0.124 4.356 4.480 -0.000 0.000 0.263 243 M C 2.512 178.629 176.300 -0.304 0.000 1.063 243 M CA 1.627 56.706 55.300 -0.369 0.000 1.110 243 M CB -2.052 30.390 32.600 -0.263 0.000 1.374 243 M HN 0.313 nan 8.290 nan 0.000 0.411 244 A N -0.599 122.072 122.820 -0.248 0.000 1.972 244 A HA -0.126 4.193 4.320 -0.000 0.000 0.219 244 A C 2.323 179.806 177.584 -0.169 0.000 1.169 244 A CA 2.083 54.015 52.037 -0.175 0.000 0.635 244 A CB -0.994 17.926 19.000 -0.134 0.000 0.810 244 A HN 0.477 nan 8.150 nan 0.000 0.446 245 T N 0.237 114.650 114.554 -0.234 0.000 2.737 245 T HA -0.075 4.275 4.350 -0.000 0.000 0.265 245 T C 1.800 176.386 174.700 -0.189 0.000 1.038 245 T CA 1.522 63.497 62.100 -0.208 0.000 1.144 245 T CB -0.359 68.353 68.868 -0.260 0.000 0.866 245 T HN 0.436 nan 8.240 nan 0.000 0.434 246 I N 1.540 121.923 120.570 -0.312 0.000 2.142 246 I HA -0.185 3.985 4.170 -0.000 0.000 0.240 246 I C 2.351 178.412 176.117 -0.093 0.000 1.078 246 I CA 1.047 62.213 61.300 -0.225 0.000 1.343 246 I CB -0.328 37.442 38.000 -0.383 0.000 1.046 246 I HN 0.153 nan 8.210 nan 0.000 0.405 247 N N 0.873 119.502 118.700 -0.118 0.000 2.244 247 N HA -0.123 4.616 4.740 -0.000 0.000 0.183 247 N C 1.342 176.838 175.510 -0.023 0.000 1.016 247 N CA 1.014 54.027 53.050 -0.061 0.000 0.866 247 N CB -0.479 37.964 38.487 -0.074 0.000 0.980 247 N HN 0.337 nan 8.380 nan 0.000 0.430 248 N N -0.543 118.146 118.700 -0.018 0.000 2.412 248 N HA -0.033 4.706 4.740 -0.000 0.000 0.184 248 N C 1.008 176.560 175.510 0.070 0.000 1.101 248 N CA 0.139 53.197 53.050 0.013 0.000 0.881 248 N CB 0.232 38.720 38.487 0.002 0.000 0.969 248 N HN 0.448 nan 8.380 nan 0.000 0.459 249 Y N 0.608 120.863 120.300 -0.075 0.000 2.488 249 Y HA 0.275 4.825 4.550 -0.000 0.000 0.262 249 Y C -0.201 175.671 175.900 -0.046 0.000 1.108 249 Y CA 0.329 58.392 58.100 -0.062 0.000 1.299 249 Y CB 0.685 39.096 38.460 -0.081 0.000 1.231 249 Y HN -0.307 nan 8.280 nan 0.000 0.507 250 K N 2.351 122.637 120.400 -0.191 0.000 2.675 250 K HA 0.291 4.611 4.320 -0.000 0.000 0.224 250 K C -2.913 173.647 176.600 -0.066 0.000 1.003 250 K CA -2.172 53.973 56.287 -0.236 0.000 1.034 250 K CB 1.674 33.982 32.500 -0.320 0.000 1.218 250 K HN 0.078 nan 8.250 nan 0.000 0.507 251 P HA 0.003 nan 4.420 nan 0.000 0.271 251 P C -0.303 177.019 177.300 0.037 0.000 1.233 251 P CA -0.221 62.877 63.100 -0.003 0.000 0.764 251 P CB 0.916 32.626 31.700 0.016 0.000 0.825 252 V N 1.350 121.293 119.914 0.047 0.000 3.040 252 V HA 0.506 4.626 4.120 -0.000 0.000 0.312 252 V C -0.292 175.890 176.094 0.146 0.000 1.115 252 V CA -1.601 60.775 62.300 0.126 0.000 0.998 252 V CB 1.775 33.667 31.823 0.115 0.000 1.042 252 V HN 0.374 nan 8.190 nan 0.000 0.433 253 F N 2.098 122.070 119.950 0.037 0.000 2.590 253 F HA 0.433 4.960 4.527 -0.000 0.000 0.389 253 F C 0.386 176.136 175.800 -0.083 0.000 1.049 253 F CA 0.984 58.946 58.000 -0.063 0.000 1.199 253 F CB 0.260 39.077 39.000 -0.306 0.000 1.058 253 F HN 0.757 nan 8.300 nan 0.000 0.556 254 T N 8.009 122.294 114.554 -0.448 0.000 2.848 254 T HA 0.528 4.877 4.350 -0.000 0.000 0.285 254 T C -1.006 173.422 174.700 -0.454 0.000 0.995 254 T CA -0.348 61.502 62.100 -0.418 0.000 0.970 254 T CB 0.952 69.677 68.868 -0.239 0.000 0.976 254 T HN 0.464 nan 8.240 nan 0.000 0.441 255 F N -0.264 119.317 119.950 -0.614 0.000 2.588 255 F HA 0.925 5.452 4.527 -0.000 0.000 0.314 255 F C 0.168 175.870 175.800 -0.163 0.000 1.069 255 F CA -1.310 56.437 58.000 -0.421 0.000 0.931 255 F CB 1.278 39.956 39.000 -0.536 0.000 1.260 255 F HN 0.703 nan 8.300 nan 0.000 0.465 256 G N 0.103 108.977 108.800 0.122 0.000 2.537 256 G HA2 0.513 4.473 3.960 -0.000 0.000 0.323 256 G HA3 0.513 4.473 3.960 -0.000 0.000 0.323 256 G C -2.046 173.008 174.900 0.257 0.000 1.207 256 G CA -0.866 44.317 45.100 0.139 0.000 0.976 256 G HN 0.891 nan 8.290 nan 0.000 0.487 257 E N 0.036 120.390 120.200 0.258 0.000 2.133 257 E HA 0.290 4.640 4.350 -0.000 0.000 0.274 257 E C -1.471 175.352 176.600 0.372 0.000 0.930 257 E CA -0.908 55.735 56.400 0.405 0.000 0.770 257 E CB 1.284 31.237 29.700 0.421 0.000 1.104 257 E HN 0.444 nan 8.360 nan 0.000 0.403 258 W N 8.017 129.459 121.300 0.236 0.000 2.543 258 W HA 0.275 4.935 4.660 0.000 0.000 0.318 258 W C -1.838 174.749 176.519 0.114 0.000 1.002 258 W CA -1.441 55.989 57.345 0.141 0.000 1.302 258 W CB 0.547 30.094 29.460 0.144 0.000 1.299 258 W HN 0.509 nan 8.180 nan 0.000 0.424 259 F N 6.241 126.194 119.950 0.004 0.000 2.529 259 F HA 0.376 4.903 4.527 -0.000 0.000 0.365 259 F C -0.590 175.088 175.800 -0.203 0.000 1.102 259 F CA 0.559 58.269 58.000 -0.484 0.000 1.271 259 F CB 0.630 39.417 39.000 -0.356 0.000 1.120 259 F HN 0.173 nan 8.300 nan 0.000 0.579 260 L N 5.813 126.394 121.223 -1.070 0.000 2.386 260 L HA 0.528 4.868 4.340 -0.000 0.000 0.271 260 L C 0.464 176.861 176.870 -0.789 0.000 0.993 260 L CA -0.895 53.602 54.840 -0.572 0.000 0.819 260 L CB 1.703 43.489 42.059 -0.454 0.000 1.294 260 L HN 0.783 nan 8.230 nan 0.000 0.414 261 G N 1.441 110.067 108.800 -0.290 0.000 2.543 261 G HA2 0.432 4.392 3.960 -0.000 0.000 0.290 261 G HA3 0.432 4.392 3.960 -0.000 0.000 0.290 261 G C -0.209 174.648 174.900 -0.071 0.000 1.310 261 G CA -0.556 44.495 45.100 -0.082 0.000 1.025 261 G HN 0.285 nan 8.290 nan 0.000 0.502 262 V N 1.091 121.006 119.914 0.002 0.000 2.557 262 V HA -0.011 4.109 4.120 -0.000 0.000 0.301 262 V C 1.041 177.128 176.094 -0.011 0.000 1.026 262 V CA 1.204 63.503 62.300 -0.001 0.000 1.137 262 V CB -0.028 31.806 31.823 0.018 0.000 0.917 262 V HN 1.002 nan 8.190 nan 0.000 0.484 263 N N 1.020 119.708 118.700 -0.020 0.000 2.778 263 N HA -0.223 4.517 4.740 -0.000 0.000 0.249 263 N C 0.351 175.847 175.510 -0.024 0.000 1.069 263 N CA 1.233 54.272 53.050 -0.018 0.000 0.831 263 N CB -0.530 37.951 38.487 -0.010 0.000 1.142 263 N HN 0.912 nan 8.380 nan 0.000 0.573 264 E N 1.093 121.267 120.200 -0.043 0.000 2.229 264 E HA 0.442 4.792 4.350 -0.000 0.000 0.283 264 E C -0.687 175.856 176.600 -0.095 0.000 1.030 264 E CA -0.235 56.135 56.400 -0.051 0.000 0.836 264 E CB 0.630 30.298 29.700 -0.053 0.000 1.068 264 E HN 0.196 nan 8.360 nan 0.000 0.401 265 I N 3.260 123.796 120.570 -0.057 0.000 2.498 265 I HA 0.204 4.374 4.170 -0.000 0.000 0.290 265 I C -0.578 175.530 176.117 -0.015 0.000 1.032 265 I CA -0.652 60.614 61.300 -0.056 0.000 1.073 265 I CB 2.173 40.179 38.000 0.010 0.000 1.251 265 I HN 0.365 nan 8.210 nan 0.000 0.426 266 S N 6.503 122.181 115.700 -0.036 0.000 2.561 266 S HA 0.526 4.996 4.470 -0.000 0.000 0.303 266 S C -2.239 172.426 174.600 0.108 0.000 1.110 266 S CA -1.535 56.684 58.200 0.032 0.000 1.034 266 S CB 1.840 65.051 63.200 0.019 0.000 1.010 266 S HN 0.280 nan 8.310 nan 0.000 0.482 267 P HA -0.018 nan 4.420 nan 0.000 0.216 267 P C 0.845 178.202 177.300 0.095 0.000 1.153 267 P CA 1.019 64.195 63.100 0.127 0.000 0.848 267 P CB 0.176 31.930 31.700 0.091 0.000 0.787 268 E N -1.463 118.790 120.200 0.089 0.000 2.118 268 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 268 E C 1.955 178.381 176.600 -0.290 0.000 0.992 268 E CA 1.076 57.518 56.400 0.070 0.000 0.804 268 E CB -1.221 28.671 29.700 0.319 0.000 0.741 268 E HN 0.364 nan 8.360 nan 0.000 0.458 269 Y N 0.708 120.547 120.300 -0.768 0.000 2.145 269 Y HA -0.284 4.265 4.550 -0.000 0.000 0.286 269 Y C 2.262 177.816 175.900 -0.577 0.000 1.145 269 Y CA 1.946 59.279 58.100 -1.278 0.000 1.148 269 Y CB -0.185 37.611 38.460 -1.107 0.000 0.981 269 Y HN 0.159 nan 8.280 nan 0.000 0.507 270 H N 0.295 119.314 119.070 -0.085 0.000 2.353 270 H HA -0.144 4.412 4.556 -0.000 0.000 0.300 270 H C 2.161 177.453 175.328 -0.059 0.000 1.090 270 H CA 1.962 57.948 56.048 -0.104 0.000 1.327 270 H CB -0.269 29.449 29.762 -0.074 0.000 1.383 270 H HN 0.576 nan 8.280 nan 0.000 0.508 271 Q N -0.485 119.362 119.800 0.077 0.000 2.096 271 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 271 Q C 2.210 178.295 176.000 0.141 0.000 0.982 271 Q CA 1.435 57.284 55.803 0.076 0.000 0.850 271 Q CB -0.250 28.515 28.738 0.044 0.000 0.901 271 Q HN 0.318 nan 8.270 nan 0.000 0.422 272 F N 0.810 120.775 119.950 0.024 0.000 2.075 272 F HA -0.222 4.305 4.527 -0.000 0.000 0.297 272 F C 2.217 178.075 175.800 0.097 0.000 1.113 272 F CA 1.430 59.547 58.000 0.195 0.000 1.218 272 F CB -0.262 38.782 39.000 0.073 0.000 0.984 272 F HN 0.024 nan 8.300 nan 0.000 0.472 273 A N 0.089 122.961 122.820 0.087 0.000 1.972 273 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 273 A C 1.874 179.494 177.584 0.060 0.000 1.169 273 A CA 1.967 54.045 52.037 0.068 0.000 0.635 273 A CB -0.755 18.335 19.000 0.150 0.000 0.810 273 A HN 0.507 nan 8.150 nan 0.000 0.446 274 N N -0.573 118.177 118.700 0.083 0.000 2.376 274 N HA -0.004 4.736 4.740 -0.000 0.000 0.177 274 N C 1.091 176.628 175.510 0.046 0.000 1.024 274 N CA 1.186 54.284 53.050 0.079 0.000 0.893 274 N CB 0.016 38.553 38.487 0.084 0.000 0.980 274 N HN 0.696 nan 8.380 nan 0.000 0.439 275 E N -1.032 119.201 120.200 0.055 0.000 2.606 275 E HA 0.112 4.462 4.350 -0.000 0.000 0.224 275 E C 1.104 177.753 176.600 0.082 0.000 0.930 275 E CA -0.028 56.440 56.400 0.114 0.000 1.125 275 E CB 0.492 30.314 29.700 0.203 0.000 1.123 275 E HN 0.223 nan 8.360 nan 0.000 0.522 276 S N -0.531 115.029 115.700 -0.232 0.000 2.446 276 S HA 0.115 4.585 4.470 -0.000 0.000 0.225 276 S C 1.782 176.112 174.600 -0.450 0.000 1.016 276 S CA 0.686 58.479 58.200 -0.679 0.000 0.943 276 S CB 0.342 62.672 63.200 -1.449 0.000 0.786 276 S HN 0.314 nan 8.310 nan 0.000 0.508 277 G N 1.321 109.951 108.800 -0.283 0.000 2.179 277 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.220 277 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.220 277 G C -0.065 174.730 174.900 -0.175 0.000 0.990 277 G CA 0.075 45.053 45.100 -0.204 0.000 0.646 277 G HN 0.861 nan 8.290 nan 0.000 0.517 278 M N 0.244 119.726 119.600 -0.197 0.000 2.662 278 M HA 0.852 5.332 4.480 -0.000 0.000 0.310 278 M C 0.437 176.698 176.300 -0.066 0.000 1.204 278 M CA -0.258 54.969 55.300 -0.122 0.000 0.891 278 M CB 2.039 34.601 32.600 -0.063 0.000 1.732 278 M HN 0.547 nan 8.290 nan 0.000 0.467 279 S N 1.473 117.140 115.700 -0.056 0.000 2.647 279 S HA 0.846 5.316 4.470 -0.000 0.000 0.284 279 S C -0.383 174.271 174.600 0.089 0.000 1.134 279 S CA -0.875 57.326 58.200 0.001 0.000 1.027 279 S CB 0.958 64.146 63.200 -0.021 0.000 1.180 279 S HN 0.768 nan 8.310 nan 0.000 0.521 280 L N -0.180 121.090 121.223 0.079 0.000 2.350 280 L HA 0.502 4.842 4.340 -0.000 0.000 0.260 280 L C -0.914 176.081 176.870 0.207 0.000 1.015 280 L CA -1.069 53.882 54.840 0.185 0.000 0.821 280 L CB 1.755 43.868 42.059 0.090 0.000 1.370 280 L HN 0.584 nan 8.230 nan 0.000 0.416 281 L N 1.484 122.938 121.223 0.385 0.000 2.410 281 L HA 0.060 4.399 4.340 -0.000 0.000 0.273 281 L C 0.082 177.283 176.870 0.552 0.000 1.144 281 L CA 0.053 55.150 54.840 0.428 0.000 0.863 281 L CB 0.250 42.571 42.059 0.437 0.000 1.140 281 L HN 0.484 nan 8.230 nan 0.000 0.463 282 D N 2.809 123.464 120.400 0.424 0.000 2.551 282 D HA -0.004 4.636 4.640 -0.000 0.000 0.223 282 D C 0.779 177.242 176.300 0.271 0.000 1.144 282 D CA 0.096 54.314 54.000 0.363 0.000 1.025 282 D CB 0.178 41.027 40.800 0.083 0.000 1.085 282 D HN 0.320 nan 8.370 nan 0.000 0.506 283 Y N 1.169 121.724 120.300 0.425 0.000 2.352 283 Y HA -0.117 4.433 4.550 -0.000 0.000 0.292 283 Y C 2.515 178.438 175.900 0.039 0.000 1.136 283 Y CA 0.925 59.133 58.100 0.180 0.000 1.227 283 Y CB 0.054 38.574 38.460 0.100 0.000 0.991 283 Y HN 0.283 nan 8.280 nan 0.000 0.545 284 R N -0.333 120.326 120.500 0.265 0.000 2.081 284 R HA -0.214 4.126 4.340 -0.000 0.000 0.235 284 R C 2.161 178.585 176.300 0.207 0.000 1.131 284 R CA 1.730 57.934 56.100 0.172 0.000 0.960 284 R CB -0.654 29.789 30.300 0.238 0.000 0.856 284 R HN 0.384 nan 8.270 nan 0.000 0.436 285 F N 0.845 120.852 119.950 0.095 0.000 2.084 285 F HA -0.092 4.435 4.527 -0.000 0.000 0.296 285 F C 2.155 177.930 175.800 -0.042 0.000 1.111 285 F CA 1.619 59.652 58.000 0.054 0.000 1.224 285 F CB -0.390 38.627 39.000 0.027 0.000 0.991 285 F HN 0.121 nan 8.300 nan 0.000 0.471 286 A N 0.201 123.045 122.820 0.040 0.000 1.883 286 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 286 A C 2.137 179.683 177.584 -0.063 0.000 1.186 286 A CA 1.755 53.657 52.037 -0.225 0.000 0.624 286 A CB -0.843 17.562 19.000 -0.992 0.000 0.822 286 A HN 0.535 nan 8.150 nan 0.000 0.444 287 Q N -0.583 119.209 119.800 -0.014 0.000 2.084 287 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 287 Q C 2.076 178.072 176.000 -0.007 0.000 0.978 287 Q CA 1.864 57.679 55.803 0.020 0.000 0.844 287 Q CB -0.353 28.395 28.738 0.018 0.000 0.898 287 Q HN 0.624 nan 8.270 nan 0.000 0.426 288 K N 0.969 121.348 120.400 -0.035 0.000 2.103 288 K HA 0.015 4.335 4.320 -0.000 0.000 0.204 288 K C 1.859 178.390 176.600 -0.114 0.000 1.052 288 K CA 1.216 57.458 56.287 -0.076 0.000 0.945 288 K CB -0.443 32.011 32.500 -0.077 0.000 0.722 288 K HN 0.120 nan 8.250 nan 0.000 0.443 289 A N 0.777 123.527 122.820 -0.116 0.000 1.902 289 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 289 A C 2.119 179.828 177.584 0.207 0.000 1.181 289 A CA 1.645 53.693 52.037 0.019 0.000 0.623 289 A CB -0.442 18.593 19.000 0.057 0.000 0.818 289 A HN 0.340 nan 8.150 nan 0.000 0.443 290 R N -0.654 119.948 120.500 0.171 0.000 2.092 290 R HA -0.108 4.232 4.340 -0.000 0.000 0.231 290 R C 2.459 178.758 176.300 -0.002 0.000 1.119 290 R CA 1.512 57.695 56.100 0.137 0.000 0.970 290 R CB -0.297 30.054 30.300 0.084 0.000 0.864 290 R HN 0.677 nan 8.270 nan 0.000 0.440 291 Q N -0.075 119.703 119.800 -0.037 0.000 2.084 291 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 291 Q C 2.127 178.048 176.000 -0.131 0.000 0.978 291 Q CA 1.512 57.269 55.803 -0.077 0.000 0.844 291 Q CB 0.089 28.782 28.738 -0.075 0.000 0.898 291 Q HN 0.196 nan 8.270 nan 0.000 0.426 292 V N -0.603 119.180 119.914 -0.219 0.000 2.379 292 V HA -0.138 3.981 4.120 -0.000 0.000 0.243 292 V C 1.538 177.372 176.094 -0.433 0.000 1.035 292 V CA 1.549 63.597 62.300 -0.420 0.000 1.035 292 V CB -0.307 31.095 31.823 -0.702 0.000 0.673 292 V HN 0.255 nan 8.190 nan 0.000 0.457 293 F N -0.815 119.137 119.950 0.003 0.000 2.714 293 F HA 0.223 4.750 4.527 -0.000 0.000 0.294 293 F C 2.372 178.258 175.800 0.143 0.000 1.120 293 F CA 0.587 58.662 58.000 0.126 0.000 1.398 293 F CB 0.171 39.331 39.000 0.267 0.000 1.120 293 F HN -0.081 nan 8.300 nan 0.000 0.589 294 R N 0.100 120.632 120.500 0.053 0.000 2.125 294 R HA 0.038 4.377 4.340 -0.000 0.000 0.195 294 R C 1.082 177.277 176.300 -0.175 0.000 1.138 294 R CA 0.743 56.660 56.100 -0.304 0.000 1.123 294 R CB 0.044 29.813 30.300 -0.885 0.000 1.049 294 R HN 0.001 nan 8.270 nan 0.000 0.503 295 D N 0.455 120.769 120.400 -0.143 0.000 2.346 295 D HA -0.046 4.594 4.640 -0.000 0.000 0.206 295 D C -0.094 176.163 176.300 -0.071 0.000 1.001 295 D CA 0.364 54.304 54.000 -0.101 0.000 0.871 295 D CB -0.167 40.581 40.800 -0.087 0.000 0.943 295 D HN 0.232 nan 8.370 nan 0.000 0.518 296 N N 0.660 119.316 118.700 -0.075 0.000 2.725 296 N HA -0.186 4.554 4.740 -0.000 0.000 0.251 296 N C 0.218 175.692 175.510 -0.060 0.000 1.031 296 N CA 1.147 54.155 53.050 -0.070 0.000 0.720 296 N CB -1.450 37.009 38.487 -0.046 0.000 0.930 296 N HN 0.219 nan 8.380 nan 0.000 0.543 297 T N -4.300 110.215 114.554 -0.064 0.000 3.092 297 T HA 0.303 4.653 4.350 -0.000 0.000 0.258 297 T C 0.089 174.757 174.700 -0.053 0.000 1.031 297 T CA -0.067 62.003 62.100 -0.049 0.000 0.925 297 T CB 0.591 69.435 68.868 -0.041 0.000 1.036 297 T HN 0.272 nan 8.240 nan 0.000 0.544 298 D N 0.948 121.302 120.400 -0.076 0.000 2.599 298 D HA 0.402 5.042 4.640 -0.000 0.000 0.252 298 D C -1.271 174.963 176.300 -0.110 0.000 1.232 298 D CA -0.491 53.462 54.000 -0.077 0.000 0.819 298 D CB 2.128 42.879 40.800 -0.082 0.000 1.401 298 D HN 0.308 nan 8.370 nan 0.000 0.429 299 N N -0.240 118.408 118.700 -0.086 0.000 2.989 299 N HA 0.264 5.004 4.740 -0.000 0.000 0.338 299 N C 0.863 176.276 175.510 -0.161 0.000 1.369 299 N CA -0.472 52.513 53.050 -0.110 0.000 0.794 299 N CB 0.278 38.753 38.487 -0.020 0.000 1.359 299 N HN 0.166 nan 8.380 nan 0.000 0.609 300 M N -0.887 118.588 119.600 -0.208 0.000 2.358 300 M HA -0.019 4.461 4.480 -0.000 0.000 0.264 300 M C 1.101 177.223 176.300 -0.296 0.000 1.064 300 M CA 1.340 56.464 55.300 -0.292 0.000 1.093 300 M CB -1.283 31.132 32.600 -0.309 0.000 1.401 300 M HN 0.546 nan 8.290 nan 0.000 0.440 301 Y N -0.127 120.129 120.300 -0.074 0.000 2.293 301 Y HA -0.086 4.464 4.550 -0.000 0.000 0.291 301 Y C 2.560 178.427 175.900 -0.055 0.000 1.137 301 Y CA 1.167 59.235 58.100 -0.053 0.000 1.202 301 Y CB -0.778 37.652 38.460 -0.051 0.000 0.990 301 Y HN 0.314 nan 8.280 nan 0.000 0.537 302 G N -0.225 108.609 108.800 0.057 0.000 2.418 302 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 302 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 302 G C 1.574 176.449 174.900 -0.042 0.000 1.158 302 G CA 0.882 45.981 45.100 -0.002 0.000 0.771 302 G HN 0.303 nan 8.290 nan 0.000 0.545 303 L N 0.718 121.872 121.223 -0.114 0.000 2.017 303 L HA 0.063 4.403 4.340 -0.000 0.000 0.208 303 L C 2.765 179.612 176.870 -0.038 0.000 1.073 303 L CA 2.363 57.118 54.840 -0.141 0.000 0.745 303 L CB -0.377 41.508 42.059 -0.289 0.000 0.894 303 L HN 0.272 nan 8.230 nan 0.000 0.432 304 K N -0.625 119.762 120.400 -0.023 0.000 2.032 304 K HA -0.202 4.118 4.320 -0.000 0.000 0.209 304 K C 1.942 178.582 176.600 0.067 0.000 1.048 304 K CA 1.511 57.821 56.287 0.037 0.000 0.927 304 K CB -0.267 32.253 32.500 0.033 0.000 0.712 304 K HN 0.390 nan 8.250 nan 0.000 0.441 305 A N 1.665 124.525 122.820 0.066 0.000 1.930 305 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 305 A C 2.146 179.766 177.584 0.059 0.000 1.175 305 A CA 1.501 53.576 52.037 0.063 0.000 0.627 305 A CB -0.538 18.495 19.000 0.055 0.000 0.815 305 A HN 0.502 nan 8.150 nan 0.000 0.443 306 M N -0.228 119.406 119.600 0.057 0.000 2.132 306 M HA -0.029 4.451 4.480 -0.000 0.000 0.263 306 M C 1.884 178.263 176.300 0.132 0.000 1.065 306 M CA 1.649 56.999 55.300 0.085 0.000 1.122 306 M CB -0.835 31.804 32.600 0.065 0.000 1.365 306 M HN 0.408 nan 8.290 nan 0.000 0.411 307 L N 0.004 121.304 121.223 0.128 0.000 2.056 307 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 307 L C 2.295 179.245 176.870 0.132 0.000 1.078 307 L CA 1.283 56.216 54.840 0.156 0.000 0.749 307 L CB -0.550 41.584 42.059 0.125 0.000 0.901 307 L HN 0.336 nan 8.230 nan 0.000 0.433 308 E N -0.184 120.078 120.200 0.104 0.000 2.072 308 E HA -0.132 4.218 4.350 -0.000 0.000 0.190 308 E C 2.223 178.866 176.600 0.073 0.000 0.982 308 E CA 0.983 57.436 56.400 0.088 0.000 0.803 308 E CB -0.257 29.491 29.700 0.078 0.000 0.755 308 E HN 0.522 nan 8.360 nan 0.000 0.453 309 G N 1.055 109.893 108.800 0.063 0.000 2.403 309 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.216 309 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.216 309 G C 1.726 176.643 174.900 0.030 0.000 1.154 309 G CA 1.027 46.144 45.100 0.028 0.000 0.784 309 G HN 0.366 nan 8.290 nan 0.000 0.538 310 S N 0.112 115.879 115.700 0.113 0.000 2.428 310 S HA -0.007 4.463 4.470 -0.000 0.000 0.230 310 S C 1.928 176.685 174.600 0.263 0.000 1.014 310 S CA 1.394 59.717 58.200 0.204 0.000 0.957 310 S CB -0.103 63.342 63.200 0.408 0.000 0.784 310 S HN 0.506 nan 8.310 nan 0.000 0.499 311 E N 0.484 120.793 120.200 0.182 0.000 2.204 311 E HA -0.071 4.278 4.350 -0.000 0.000 0.195 311 E C 1.511 178.174 176.600 0.105 0.000 0.990 311 E CA 1.059 57.551 56.400 0.153 0.000 0.821 311 E CB 0.029 29.798 29.700 0.115 0.000 0.750 311 E HN 0.502 nan 8.360 nan 0.000 0.477 312 V N 0.728 120.675 119.914 0.054 0.000 2.575 312 V HA -0.108 4.012 4.120 -0.000 0.000 0.242 312 V C 1.435 177.503 176.094 -0.043 0.000 1.045 312 V CA 1.320 63.622 62.300 0.004 0.000 1.065 312 V CB -0.086 31.727 31.823 -0.018 0.000 0.717 312 V HN 0.162 nan 8.190 nan 0.000 0.467 313 D N -0.960 119.358 120.400 -0.136 0.000 2.224 313 D HA -0.060 4.580 4.640 -0.000 0.000 0.205 313 D C 0.310 176.456 176.300 -0.258 0.000 0.965 313 D CA 0.930 54.722 54.000 -0.347 0.000 0.852 313 D CB -0.128 40.223 40.800 -0.748 0.000 0.947 313 D HN 0.413 nan 8.370 nan 0.000 0.494 314 Y N 0.107 120.423 120.300 0.027 0.000 2.327 314 Y HA 0.403 4.953 4.550 -0.000 0.000 0.336 314 Y C 1.263 177.187 175.900 0.040 0.000 1.035 314 Y CA -0.793 57.369 58.100 0.104 0.000 1.165 314 Y CB 1.459 39.998 38.460 0.132 0.000 1.181 314 Y HN -0.180 nan 8.280 nan 0.000 0.494 315 A N 2.819 125.753 122.820 0.191 0.000 1.933 315 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 315 A C 0.675 178.294 177.584 0.057 0.000 1.175 315 A CA 1.204 53.291 52.037 0.082 0.000 0.628 315 A CB -0.193 18.844 19.000 0.060 0.000 0.814 315 A HN 0.758 nan 8.150 nan 0.000 0.444 316 Q N -1.059 118.812 119.800 0.117 0.000 2.700 316 Q HA 0.419 4.759 4.340 -0.000 0.000 0.249 316 Q C 0.342 176.400 176.000 0.097 0.000 1.033 316 Q CA -0.132 55.733 55.803 0.103 0.000 0.804 316 Q CB 1.278 30.121 28.738 0.176 0.000 1.164 316 Q HN 0.114 nan 8.270 nan 0.000 0.500 317 V N 1.593 121.563 119.914 0.094 0.000 2.594 317 V HA -0.213 3.907 4.120 -0.000 0.000 0.253 317 V C 0.900 176.976 176.094 -0.030 0.000 1.069 317 V CA 1.677 63.986 62.300 0.014 0.000 1.082 317 V CB 0.073 31.966 31.823 0.115 0.000 0.680 317 V HN 0.714 nan 8.190 nan 0.000 0.469 318 N N 0.474 119.210 118.700 0.061 0.000 2.571 318 N HA -0.065 4.675 4.740 -0.000 0.000 0.189 318 N C 0.964 176.491 175.510 0.028 0.000 1.154 318 N CA 0.925 54.007 53.050 0.053 0.000 0.907 318 N CB -0.152 38.433 38.487 0.163 0.000 0.977 318 N HN 0.532 nan 8.380 nan 0.000 0.449 319 D N -0.198 120.234 120.400 0.053 0.000 2.369 319 D HA 0.042 4.682 4.640 -0.000 0.000 0.211 319 D C -0.000 176.343 176.300 0.071 0.000 1.077 319 D CA 0.205 54.292 54.000 0.147 0.000 0.842 319 D CB 0.389 41.331 40.800 0.236 0.000 0.947 319 D HN 0.085 nan 8.370 nan 0.000 0.509 320 Q N 0.654 120.372 119.800 -0.136 0.000 2.288 320 Q HA 0.254 4.594 4.340 -0.000 0.000 0.254 320 Q C -0.052 175.827 176.000 -0.202 0.000 0.932 320 Q CA -0.378 55.281 55.803 -0.241 0.000 0.902 320 Q CB 2.057 30.473 28.738 -0.536 0.000 1.203 320 Q HN -0.116 nan 8.270 nan 0.000 0.415 321 V N 3.305 123.107 119.914 -0.188 0.000 2.385 321 V HA 0.260 4.380 4.120 -0.000 0.000 0.269 321 V C 0.555 176.630 176.094 -0.032 0.000 1.043 321 V CA -0.373 61.804 62.300 -0.205 0.000 0.906 321 V CB 0.801 32.305 31.823 -0.532 0.000 0.995 321 V HN 0.891 nan 8.190 nan 0.000 0.467 322 T N 2.859 117.317 114.554 -0.160 0.000 2.943 322 T HA 0.894 5.244 4.350 -0.000 0.000 0.284 322 T C -0.666 174.093 174.700 0.098 0.000 1.015 322 T CA -0.556 61.343 62.100 -0.334 0.000 1.042 322 T CB 1.737 69.900 68.868 -1.175 0.000 1.055 322 T HN 0.659 nan 8.240 nan 0.000 0.500 323 F N -1.180 118.788 119.950 0.031 0.000 2.770 323 F HA 0.520 5.047 4.527 0.000 0.000 0.313 323 F C 0.046 175.994 175.800 0.247 0.000 1.154 323 F CA -1.404 56.672 58.000 0.126 0.000 0.923 323 F CB 0.789 39.853 39.000 0.106 0.000 1.301 323 F HN 0.563 nan 8.300 nan 0.000 0.449 324 I N -1.707 119.028 120.570 0.275 0.000 4.181 324 I HA 0.433 4.603 4.170 -0.000 0.000 0.331 324 I C -0.845 175.509 176.117 0.395 0.000 1.312 324 I CA 0.067 61.519 61.300 0.254 0.000 1.146 324 I CB 0.407 38.478 38.000 0.118 0.000 1.074 324 I HN 0.632 nan 8.210 nan 0.000 0.402 325 D N 0.692 121.371 120.400 0.465 0.000 2.692 325 D HA 0.443 5.083 4.640 -0.000 0.000 0.290 325 D C -0.988 175.423 176.300 0.185 0.000 1.281 325 D CA -0.634 53.594 54.000 0.380 0.000 0.804 325 D CB 0.818 41.806 40.800 0.314 0.000 1.331 325 D HN 0.264 nan 8.370 nan 0.000 0.432 326 N N -2.655 115.905 118.700 -0.233 0.000 3.387 326 N HA 0.094 4.834 4.740 -0.000 0.000 0.294 326 N C 0.755 175.686 175.510 -0.965 0.000 1.519 326 N CA -0.433 52.114 53.050 -0.837 0.000 0.875 326 N CB -0.232 37.976 38.487 -0.465 0.000 1.657 326 N HN 0.567 nan 8.380 nan 0.000 0.527 327 H N -1.750 116.889 119.070 -0.717 0.000 2.518 327 H HA 0.037 4.593 4.556 -0.000 0.000 0.292 327 H C -0.647 174.696 175.328 0.024 0.000 1.068 327 H CA 1.348 57.308 56.048 -0.147 0.000 1.275 327 H CB -0.242 29.726 29.762 0.342 0.000 1.375 327 H HN 0.515 nan 8.280 nan 0.000 0.563 328 D N 0.181 120.295 120.400 -0.476 0.000 2.440 328 D HA 0.279 4.919 4.640 -0.000 0.000 0.216 328 D C 0.164 176.495 176.300 0.051 0.000 1.150 328 D CA 0.037 53.931 54.000 -0.176 0.000 0.832 328 D CB 0.490 41.210 40.800 -0.134 0.000 0.992 328 D HN 0.360 nan 8.370 nan 0.000 0.502 329 M N -0.024 119.609 119.600 0.055 0.000 2.593 329 M HA 0.298 4.778 4.480 -0.000 0.000 0.290 329 M C -0.247 176.110 176.300 0.096 0.000 1.244 329 M CA -0.828 54.562 55.300 0.150 0.000 0.857 329 M CB 2.910 35.658 32.600 0.246 0.000 1.738 329 M HN -0.293 nan 8.290 nan 0.000 0.461 330 E N 1.677 121.938 120.200 0.101 0.000 2.415 330 E HA 0.130 4.480 4.350 -0.000 0.000 0.262 330 E C -0.448 176.229 176.600 0.127 0.000 1.038 330 E CA -0.168 56.283 56.400 0.085 0.000 0.921 330 E CB 0.639 30.372 29.700 0.055 0.000 0.950 330 E HN 0.321 nan 8.360 nan 0.000 0.438 331 R N 1.676 122.261 120.500 0.141 0.000 2.698 331 R HA -0.063 4.277 4.340 -0.000 0.000 0.266 331 R C 0.953 177.390 176.300 0.228 0.000 1.026 331 R CA 0.201 56.427 56.100 0.210 0.000 1.102 331 R CB 0.150 30.560 30.300 0.184 0.000 0.978 331 R HN 0.642 nan 8.270 nan 0.000 0.436 332 F N 2.277 122.322 119.950 0.158 0.000 2.102 332 F HA -0.163 4.364 4.527 -0.000 0.000 0.298 332 F C 1.506 177.402 175.800 0.160 0.000 1.105 332 F CA 1.322 59.415 58.000 0.155 0.000 1.239 332 F CB -0.059 39.044 39.000 0.172 0.000 0.991 332 F HN 0.491 nan 8.300 nan 0.000 0.474 333 H N 1.506 120.826 119.070 0.416 0.000 2.848 333 H HA 0.148 4.704 4.556 -0.000 0.000 0.317 333 H C -0.273 175.147 175.328 0.153 0.000 1.046 333 H CA 0.385 56.621 56.048 0.313 0.000 1.470 333 H CB 0.559 30.509 29.762 0.314 0.000 1.483 333 H HN 0.245 nan 8.280 nan 0.000 0.548 334 T N 1.006 115.292 114.554 -0.446 0.000 2.937 334 T HA 0.152 4.502 4.350 -0.000 0.000 0.283 334 T C 1.548 175.995 174.700 -0.421 0.000 1.012 334 T CA -0.319 61.590 62.100 -0.318 0.000 0.997 334 T CB 1.258 70.019 68.868 -0.179 0.000 1.136 334 T HN 0.588 nan 8.240 nan 0.000 0.551 335 S N 1.299 116.883 115.700 -0.192 0.000 2.368 335 S HA -0.164 4.306 4.470 -0.000 0.000 0.225 335 S C 1.399 175.950 174.600 -0.081 0.000 1.030 335 S CA 1.109 59.244 58.200 -0.109 0.000 0.999 335 S CB -0.816 62.353 63.200 -0.052 0.000 0.844 335 S HN 0.905 nan 8.310 nan 0.000 0.459 336 N N 1.862 120.514 118.700 -0.079 0.000 2.251 336 N HA 0.259 4.999 4.740 -0.000 0.000 0.217 336 N C 0.225 175.714 175.510 -0.035 0.000 1.124 336 N CA 0.107 53.133 53.050 -0.040 0.000 0.843 336 N CB -0.259 38.210 38.487 -0.029 0.000 1.024 336 N HN 0.415 nan 8.380 nan 0.000 0.501 337 G N -0.444 108.311 108.800 -0.074 0.000 2.377 337 G HA2 0.173 4.133 3.960 -0.000 0.000 0.299 337 G HA3 0.173 4.133 3.960 -0.000 0.000 0.299 337 G C -0.765 174.213 174.900 0.130 0.000 1.150 337 G CA -0.412 44.686 45.100 -0.003 0.000 0.847 337 G HN 0.126 nan 8.290 nan 0.000 0.501 338 D N 0.864 121.352 120.400 0.146 0.000 2.425 338 D HA 0.039 4.679 4.640 -0.000 0.000 0.247 338 D C 1.563 178.015 176.300 0.253 0.000 1.147 338 D CA -0.162 53.935 54.000 0.163 0.000 0.879 338 D CB 0.955 41.828 40.800 0.121 0.000 1.179 338 D HN 0.383 nan 8.370 nan 0.000 0.456 339 R N 2.446 123.061 120.500 0.192 0.000 2.152 339 R HA -0.172 4.168 4.340 -0.000 0.000 0.232 339 R C 1.831 178.251 176.300 0.201 0.000 1.117 339 R CA 0.759 56.947 56.100 0.148 0.000 0.981 339 R CB 0.030 30.233 30.300 -0.163 0.000 0.870 339 R HN 0.254 nan 8.270 nan 0.000 0.451 340 R N 1.811 122.401 120.500 0.150 0.000 2.127 340 R HA -0.119 4.221 4.340 -0.000 0.000 0.238 340 R C 1.436 177.835 176.300 0.165 0.000 1.134 340 R CA 1.667 57.847 56.100 0.133 0.000 0.975 340 R CB -0.133 30.230 30.300 0.105 0.000 0.865 340 R HN 0.097 nan 8.270 nan 0.000 0.447 341 K N -0.339 120.209 120.400 0.246 0.000 2.057 341 K HA -0.140 4.180 4.320 -0.000 0.000 0.207 341 K C 1.897 178.694 176.600 0.328 0.000 1.049 341 K CA 1.526 58.025 56.287 0.353 0.000 0.931 341 K CB -0.341 32.425 32.500 0.443 0.000 0.714 341 K HN 0.110 nan 8.250 nan 0.000 0.440 342 L N 1.807 123.219 121.223 0.315 0.000 2.027 342 L HA -0.154 4.186 4.340 -0.000 0.000 0.206 342 L C 1.713 178.501 176.870 -0.137 0.000 1.074 342 L CA 1.808 56.648 54.840 -0.000 0.000 0.745 342 L CB -0.289 41.878 42.059 0.180 0.000 0.898 342 L HN 0.114 nan 8.230 nan 0.000 0.433 343 E N -0.784 119.419 120.200 0.005 0.000 2.085 343 E HA -0.275 4.075 4.350 -0.000 0.000 0.194 343 E C 2.182 178.726 176.600 -0.094 0.000 0.994 343 E CA 1.668 58.051 56.400 -0.029 0.000 0.801 343 E CB -0.198 29.534 29.700 0.053 0.000 0.743 343 E HN 0.647 nan 8.360 nan 0.000 0.453 344 Q N 0.102 119.840 119.800 -0.103 0.000 2.046 344 Q HA -0.124 4.216 4.340 -0.000 0.000 0.200 344 Q C 2.324 178.065 176.000 -0.433 0.000 0.975 344 Q CA 1.270 56.952 55.803 -0.203 0.000 0.836 344 Q CB -0.183 28.456 28.738 -0.164 0.000 0.896 344 Q HN 0.268 nan 8.270 nan 0.000 0.428 345 A N 0.813 123.298 122.820 -0.559 0.000 1.933 345 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 345 A C 2.050 179.459 177.584 -0.291 0.000 1.175 345 A CA 1.073 52.728 52.037 -0.637 0.000 0.628 345 A CB -0.573 17.960 19.000 -0.779 0.000 0.814 345 A HN 0.270 nan 8.150 nan 0.000 0.444 346 L N -1.048 120.018 121.223 -0.263 0.000 2.072 346 L HA -0.128 4.212 4.340 -0.000 0.000 0.205 346 L C 3.078 179.895 176.870 -0.088 0.000 1.079 346 L CA 0.924 55.678 54.840 -0.142 0.000 0.752 346 L CB -0.478 41.495 42.059 -0.142 0.000 0.906 346 L HN 0.422 nan 8.230 nan 0.000 0.436 347 A N -0.211 122.553 122.820 -0.093 0.000 1.933 347 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 347 A C 2.153 179.752 177.584 0.026 0.000 1.175 347 A CA 1.399 53.405 52.037 -0.051 0.000 0.628 347 A CB -0.754 18.209 19.000 -0.062 0.000 0.814 347 A HN 0.395 nan 8.150 nan 0.000 0.444 348 F N 1.444 121.320 119.950 -0.123 0.000 2.102 348 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 348 F C 2.441 178.311 175.800 0.117 0.000 1.105 348 F CA 2.318 60.322 58.000 0.006 0.000 1.239 348 F CB -0.789 38.077 39.000 -0.223 0.000 0.991 348 F HN 0.199 nan 8.300 nan 0.000 0.474 349 T N 1.407 115.960 114.554 -0.002 0.000 2.777 349 T HA -0.141 4.209 4.350 -0.000 0.000 0.266 349 T C 2.161 176.791 174.700 -0.117 0.000 1.040 349 T CA 1.658 63.754 62.100 -0.007 0.000 1.141 349 T CB -0.519 68.416 68.868 0.112 0.000 0.868 349 T HN 0.238 nan 8.240 nan 0.000 0.444 350 L N 1.326 122.502 121.223 -0.079 0.000 2.201 350 L HA -0.040 4.300 4.340 -0.000 0.000 0.212 350 L C 2.610 179.424 176.870 -0.094 0.000 1.105 350 L CA 1.265 56.053 54.840 -0.088 0.000 0.775 350 L CB -0.661 41.354 42.059 -0.073 0.000 0.913 350 L HN 0.419 nan 8.230 nan 0.000 0.440 351 T N -5.434 109.081 114.554 -0.065 0.000 3.069 351 T HA 0.177 4.527 4.350 -0.000 0.000 0.252 351 T C 0.762 175.462 174.700 0.001 0.000 1.053 351 T CA -0.281 61.812 62.100 -0.012 0.000 0.964 351 T CB 0.244 69.144 68.868 0.054 0.000 1.005 351 T HN -0.016 nan 8.240 nan 0.000 0.532 352 S N 2.325 117.933 115.700 -0.154 0.000 2.687 352 S HA 0.586 5.055 4.470 -0.000 0.000 0.283 352 S C 0.418 174.900 174.600 -0.196 0.000 1.170 352 S CA -1.068 56.995 58.200 -0.228 0.000 1.008 352 S CB 0.893 63.853 63.200 -0.398 0.000 1.026 352 S HN 0.607 nan 8.310 nan 0.000 0.541 353 R N 0.844 121.253 120.500 -0.151 0.000 2.738 353 R HA 0.566 4.906 4.340 -0.000 0.000 0.268 353 R C 0.608 176.772 176.300 -0.226 0.000 1.062 353 R CA 0.479 56.500 56.100 -0.132 0.000 1.158 353 R CB -1.375 28.899 30.300 -0.043 0.000 1.046 353 R HN 0.944 nan 8.270 nan 0.000 0.493 354 G N -0.212 108.474 108.800 -0.190 0.000 2.416 354 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.203 354 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.203 354 G C -1.523 173.244 174.900 -0.221 0.000 1.227 354 G CA -0.347 44.621 45.100 -0.221 0.000 1.041 354 G HN 0.697 nan 8.290 nan 0.000 0.546 355 V N 2.894 122.674 119.914 -0.224 0.000 2.380 355 V HA 0.540 4.659 4.120 -0.000 0.000 0.286 355 V C -1.979 174.020 176.094 -0.159 0.000 1.015 355 V CA -0.954 61.231 62.300 -0.192 0.000 0.834 355 V CB 1.809 33.502 31.823 -0.216 0.000 1.009 355 V HN 0.688 nan 8.190 nan 0.000 0.428 356 P HA 0.397 nan 4.420 nan 0.000 0.276 356 P C -0.724 176.606 177.300 0.051 0.000 1.230 356 P CA -0.047 63.011 63.100 -0.071 0.000 0.776 356 P CB 1.593 33.244 31.700 -0.082 0.000 0.888 357 A N 4.584 127.493 122.820 0.148 0.000 2.343 357 A HA 0.639 4.959 4.320 -0.000 0.000 0.316 357 A C -0.601 177.135 177.584 0.253 0.000 1.104 357 A CA -0.653 51.545 52.037 0.268 0.000 0.768 357 A CB 0.684 19.941 19.000 0.428 0.000 1.213 357 A HN 0.348 nan 8.150 nan 0.000 0.456 358 I N 2.611 123.308 120.570 0.213 0.000 2.362 358 I HA 0.185 4.355 4.170 -0.000 0.000 0.289 358 I C -0.529 175.632 176.117 0.075 0.000 0.994 358 I CA -0.706 60.688 61.300 0.157 0.000 1.158 358 I CB 0.975 39.077 38.000 0.171 0.000 1.315 358 I HN 0.689 nan 8.210 nan 0.000 0.451 359 Y N 8.374 128.633 120.300 -0.068 0.000 2.377 359 Y HA 0.138 4.688 4.550 -0.000 0.000 0.330 359 Y C 0.190 175.901 175.900 -0.315 0.000 1.108 359 Y CA -0.871 57.138 58.100 -0.152 0.000 1.308 359 Y CB 0.273 38.702 38.460 -0.052 0.000 1.216 359 Y HN 0.492 nan 8.280 nan 0.000 0.518 360 Y N 3.497 123.340 120.300 -0.761 0.000 2.805 360 Y HA 0.330 4.879 4.550 -0.000 0.000 0.337 360 Y C 1.127 176.835 175.900 -0.320 0.000 1.252 360 Y CA -0.463 57.216 58.100 -0.702 0.000 1.515 360 Y CB -0.000 38.185 38.460 -0.458 0.000 1.305 360 Y HN 0.918 nan 8.280 nan 0.000 0.600 361 G N 1.616 110.353 108.800 -0.105 0.000 2.205 361 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.261 361 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.261 361 G C 1.165 175.962 174.900 -0.171 0.000 0.980 361 G CA 0.561 45.546 45.100 -0.193 0.000 0.632 361 G HN 0.785 nan 8.290 nan 0.000 0.533 362 S N 1.086 116.700 115.700 -0.143 0.000 2.365 362 S HA -0.143 4.327 4.470 -0.000 0.000 0.225 362 S C 2.118 176.582 174.600 -0.226 0.000 1.039 362 S CA 1.848 59.981 58.200 -0.112 0.000 1.033 362 S CB -0.254 62.917 63.200 -0.047 0.000 0.887 362 S HN 0.885 nan 8.310 nan 0.000 0.447 363 E N 0.803 120.930 120.200 -0.122 0.000 2.472 363 E HA -0.130 4.220 4.350 -0.000 0.000 0.200 363 E C 0.689 177.162 176.600 -0.210 0.000 1.046 363 E CA 0.770 57.068 56.400 -0.170 0.000 0.871 363 E CB -0.181 29.562 29.700 0.072 0.000 0.806 363 E HN 0.407 nan 8.360 nan 0.000 0.533 364 Q N -0.142 119.576 119.800 -0.137 0.000 2.179 364 Q HA 0.088 4.427 4.340 -0.000 0.000 0.213 364 Q C -0.579 175.471 176.000 0.084 0.000 0.833 364 Q CA -0.501 55.303 55.803 0.003 0.000 0.990 364 Q CB -0.274 28.474 28.738 0.017 0.000 1.132 364 Q HN 0.328 nan 8.270 nan 0.000 0.493 365 Y N -0.810 119.467 120.300 -0.038 0.000 3.225 365 Y HA -0.292 4.257 4.550 -0.000 0.000 0.211 365 Y C 0.372 176.311 175.900 0.065 0.000 1.223 365 Y CA 0.199 58.237 58.100 -0.103 0.000 1.284 365 Y CB -2.388 35.903 38.460 -0.282 0.000 1.367 365 Y HN 0.229 nan 8.280 nan 0.000 0.566 366 M N 0.842 120.514 119.600 0.119 0.000 2.248 366 M HA 0.174 4.654 4.480 -0.000 0.000 0.345 366 M C 0.706 177.115 176.300 0.182 0.000 1.243 366 M CA 0.794 56.151 55.300 0.094 0.000 1.090 366 M CB 0.530 33.093 32.600 -0.061 0.000 1.683 366 M HN 0.403 nan 8.290 nan 0.000 0.450 367 S N 1.406 117.200 115.700 0.155 0.000 2.689 367 S HA 1.018 5.488 4.470 -0.000 0.000 0.306 367 S C -0.205 174.430 174.600 0.058 0.000 1.104 367 S CA -0.586 57.682 58.200 0.114 0.000 0.973 367 S CB 2.193 65.425 63.200 0.054 0.000 1.121 367 S HN 1.046 nan 8.310 nan 0.000 0.523 368 G N -1.031 107.796 108.800 0.044 0.000 2.368 368 G HA2 0.499 4.459 3.960 -0.000 0.000 0.301 368 G HA3 0.499 4.459 3.960 -0.000 0.000 0.301 368 G C -0.209 174.712 174.900 0.035 0.000 1.640 368 G CA -0.365 44.754 45.100 0.030 0.000 0.941 368 G HN 0.977 nan 8.290 nan 0.000 0.695 369 G N 0.077 108.889 108.800 0.020 0.000 2.514 369 G HA2 0.433 4.393 3.960 -0.000 0.000 0.245 369 G HA3 0.433 4.393 3.960 -0.000 0.000 0.245 369 G C 0.398 175.314 174.900 0.028 0.000 1.488 369 G CA -0.468 44.643 45.100 0.019 0.000 1.063 369 G HN 0.695 nan 8.290 nan 0.000 0.557 370 N N 0.392 119.101 118.700 0.016 0.000 2.354 370 N HA 0.065 4.805 4.740 -0.000 0.000 0.246 370 N C -0.041 175.475 175.510 0.010 0.000 1.285 370 N CA -0.313 52.744 53.050 0.011 0.000 0.925 370 N CB 0.499 38.980 38.487 -0.011 0.000 1.174 370 N HN 0.460 nan 8.380 nan 0.000 0.478 371 D N 0.879 121.285 120.400 0.011 0.000 2.752 371 D HA -0.083 4.557 4.640 -0.000 0.000 0.225 371 D C -1.542 174.772 176.300 0.024 0.000 1.104 371 D CA -0.446 53.572 54.000 0.030 0.000 0.832 371 D CB 0.534 41.354 40.800 0.034 0.000 1.161 371 D HN 0.323 nan 8.370 nan 0.000 0.505 372 P HA 0.120 nan 4.420 nan 0.000 0.268 372 P C -0.007 177.291 177.300 -0.003 0.000 1.329 372 P CA -0.099 63.023 63.100 0.038 0.000 0.899 372 P CB 0.538 32.260 31.700 0.036 0.000 1.378 373 D N 1.213 121.614 120.400 0.002 0.000 2.348 373 D HA -0.076 4.564 4.640 -0.000 0.000 0.216 373 D C 1.115 177.423 176.300 0.014 0.000 0.970 373 D CA 0.767 54.766 54.000 -0.002 0.000 0.889 373 D CB -0.222 40.579 40.800 0.001 0.000 0.912 373 D HN 0.370 nan 8.370 nan 0.000 0.524 374 N N 0.269 118.993 118.700 0.040 0.000 2.398 374 N HA -0.040 4.700 4.740 -0.000 0.000 0.188 374 N C 0.509 176.079 175.510 0.101 0.000 1.122 374 N CA 0.042 53.151 53.050 0.100 0.000 0.866 374 N CB -0.059 38.515 38.487 0.145 0.000 0.970 374 N HN 0.039 nan 8.380 nan 0.000 0.462 375 R N 0.034 120.537 120.500 0.006 0.000 2.748 375 R HA 0.454 4.794 4.340 -0.000 0.000 0.395 375 R C -0.179 176.128 176.300 0.011 0.000 1.128 375 R CA -0.334 55.744 56.100 -0.037 0.000 1.042 375 R CB 0.808 30.945 30.300 -0.273 0.000 1.392 375 R HN 0.137 nan 8.270 nan 0.000 0.582 376 A N 1.346 124.172 122.820 0.011 0.000 2.386 376 A HA 0.190 4.510 4.320 -0.000 0.000 0.246 376 A C 0.168 177.801 177.584 0.081 0.000 1.089 376 A CA -0.341 51.696 52.037 -0.000 0.000 0.790 376 A CB 0.286 19.272 19.000 -0.022 0.000 1.042 376 A HN 0.446 nan 8.150 nan 0.000 0.497 377 R N 0.367 120.888 120.500 0.035 0.000 2.590 377 R HA 0.244 4.584 4.340 -0.000 0.000 0.274 377 R C -0.377 175.954 176.300 0.052 0.000 1.061 377 R CA -0.635 55.505 56.100 0.066 0.000 1.081 377 R CB 0.019 30.319 30.300 0.000 0.000 0.984 377 R HN 0.619 nan 8.270 nan 0.000 0.448 378 L N 4.790 126.063 121.223 0.083 0.000 2.416 378 L HA 0.344 4.684 4.340 -0.000 0.000 0.272 378 L C -1.874 174.849 176.870 -0.244 0.000 1.161 378 L CA -2.004 52.788 54.840 -0.079 0.000 0.845 378 L CB -0.364 41.642 42.059 -0.088 0.000 1.119 378 L HN 0.585 nan 8.230 nan 0.000 0.464 379 P HA 0.022 nan 4.420 nan 0.000 0.231 379 P C 0.198 177.379 177.300 -0.199 0.000 1.168 379 P CA 0.471 63.481 63.100 -0.150 0.000 0.779 379 P CB 0.762 32.416 31.700 -0.076 0.000 0.844 380 S N -1.394 114.106 115.700 -0.333 0.000 2.547 380 S HA 0.531 5.001 4.470 -0.000 0.000 0.270 380 S C -1.470 172.830 174.600 -0.500 0.000 1.150 380 S CA -0.570 57.471 58.200 -0.265 0.000 0.850 380 S CB 0.343 63.488 63.200 -0.093 0.000 1.118 380 S HN -0.175 nan 8.310 nan 0.000 0.461 381 F N 2.210 122.053 119.950 -0.177 0.000 2.908 381 F HA 0.409 4.935 4.527 -0.000 0.000 0.328 381 F C 1.038 176.826 175.800 -0.021 0.000 1.211 381 F CA -0.371 57.418 58.000 -0.353 0.000 1.291 381 F CB 0.869 39.515 39.000 -0.591 0.000 0.962 381 F HN 0.504 nan 8.300 nan 0.000 0.505 382 S N 0.536 116.327 115.700 0.151 0.000 2.516 382 S HA 0.074 4.544 4.470 -0.000 0.000 0.282 382 S C 1.386 175.975 174.600 -0.018 0.000 1.286 382 S CA 0.194 58.443 58.200 0.081 0.000 1.066 382 S CB 0.390 63.621 63.200 0.051 0.000 0.884 382 S HN 0.508 nan 8.310 nan 0.000 0.491 383 T N 0.617 115.023 114.554 -0.247 0.000 3.122 383 T HA 0.087 4.437 4.350 -0.000 0.000 0.250 383 T C 1.092 175.410 174.700 -0.638 0.000 1.067 383 T CA 0.417 61.961 62.100 -0.927 0.000 0.966 383 T CB -0.330 68.143 68.868 -0.658 0.000 1.002 383 T HN 0.671 nan 8.240 nan 0.000 0.542 384 T N -0.222 114.195 114.554 -0.229 0.000 3.174 384 T HA 0.234 4.584 4.350 -0.000 0.000 0.269 384 T C 0.748 175.464 174.700 0.027 0.000 1.017 384 T CA -0.196 61.856 62.100 -0.080 0.000 0.899 384 T CB -0.402 68.441 68.868 -0.042 0.000 1.077 384 T HN 0.496 nan 8.240 nan 0.000 0.552 385 T N -0.634 113.972 114.554 0.087 0.000 2.898 385 T HA 0.224 4.573 4.350 -0.000 0.000 0.301 385 T C 1.438 176.264 174.700 0.211 0.000 1.049 385 T CA -0.129 62.093 62.100 0.203 0.000 1.095 385 T CB 1.004 70.056 68.868 0.307 0.000 0.976 385 T HN 0.073 nan 8.240 nan 0.000 0.539 386 T N 1.908 116.601 114.554 0.231 0.000 2.720 386 T HA -0.076 4.274 4.350 -0.000 0.000 0.268 386 T C 2.401 177.193 174.700 0.154 0.000 1.037 386 T CA 1.430 63.636 62.100 0.177 0.000 1.144 386 T CB -0.811 68.158 68.868 0.169 0.000 0.864 386 T HN 0.832 nan 8.240 nan 0.000 0.444 387 A N 0.293 123.202 122.820 0.148 0.000 1.933 387 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 387 A C 2.068 179.644 177.584 -0.014 0.000 1.175 387 A CA 1.433 53.438 52.037 -0.055 0.000 0.628 387 A CB -0.989 17.750 19.000 -0.434 0.000 0.814 387 A HN 0.633 nan 8.150 nan 0.000 0.444 388 Y N 0.333 120.595 120.300 -0.063 0.000 2.200 388 Y HA -0.232 4.318 4.550 -0.000 0.000 0.290 388 Y C 2.575 178.443 175.900 -0.053 0.000 1.137 388 Y CA 2.245 60.309 58.100 -0.060 0.000 1.163 388 Y CB -0.152 38.289 38.460 -0.032 0.000 0.988 388 Y HN 0.415 nan 8.280 nan 0.000 0.518 389 Q N -0.966 118.958 119.800 0.206 0.000 2.167 389 Q HA -0.150 4.189 4.340 -0.000 0.000 0.202 389 Q C 2.291 178.298 176.000 0.012 0.000 0.970 389 Q CA 1.581 57.455 55.803 0.117 0.000 0.855 389 Q CB -0.131 28.674 28.738 0.110 0.000 0.911 389 Q HN 0.378 nan 8.270 nan 0.000 0.438 390 V N 1.022 120.931 119.914 -0.008 0.000 2.343 390 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 390 V C 2.082 178.126 176.094 -0.084 0.000 1.051 390 V CA 1.625 63.898 62.300 -0.044 0.000 1.036 390 V CB -0.374 31.424 31.823 -0.043 0.000 0.654 390 V HN 0.337 nan 8.190 nan 0.000 0.451 391 I N -0.323 120.172 120.570 -0.125 0.000 2.286 391 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 391 I C 2.634 178.640 176.117 -0.184 0.000 1.104 391 I CA 1.645 62.847 61.300 -0.163 0.000 1.397 391 I CB -0.422 37.450 38.000 -0.213 0.000 1.072 391 I HN 0.373 nan 8.210 nan 0.000 0.417 392 Q N 1.664 121.334 119.800 -0.217 0.000 2.135 392 Q HA -0.259 4.081 4.340 -0.000 0.000 0.204 392 Q C 2.048 177.993 176.000 -0.092 0.000 0.981 392 Q CA 1.803 57.507 55.803 -0.165 0.000 0.856 392 Q CB 0.085 28.767 28.738 -0.093 0.000 0.902 392 Q HN 0.446 nan 8.270 nan 0.000 0.425 393 K N -0.322 120.036 120.400 -0.071 0.000 2.116 393 K HA 0.003 4.323 4.320 -0.000 0.000 0.203 393 K C 1.999 178.556 176.600 -0.072 0.000 1.052 393 K CA 0.902 57.154 56.287 -0.058 0.000 0.952 393 K CB 0.197 32.669 32.500 -0.047 0.000 0.729 393 K HN 0.244 nan 8.250 nan 0.000 0.446 394 L N -0.266 120.907 121.223 -0.084 0.000 2.298 394 L HA 0.122 4.462 4.340 -0.000 0.000 0.209 394 L C 2.447 179.262 176.870 -0.092 0.000 1.084 394 L CA 0.338 55.126 54.840 -0.087 0.000 0.816 394 L CB -0.365 41.642 42.059 -0.087 0.000 0.967 394 L HN 0.095 nan 8.230 nan 0.000 0.460 395 A N 1.189 123.949 122.820 -0.100 0.000 1.940 395 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 395 A C -0.153 177.369 177.584 -0.103 0.000 1.176 395 A CA 1.619 53.595 52.037 -0.102 0.000 0.631 395 A CB -1.699 17.236 19.000 -0.109 0.000 0.814 395 A HN 0.262 nan 8.150 nan 0.000 0.446 396 P HA -0.111 nan 4.420 nan 0.000 0.219 396 P C 1.022 178.265 177.300 -0.095 0.000 1.146 396 P CA 0.587 63.634 63.100 -0.089 0.000 0.808 396 P CB -0.043 31.613 31.700 -0.073 0.000 0.779 397 L N -0.949 120.218 121.223 -0.094 0.000 2.362 397 L HA -0.075 4.264 4.340 -0.000 0.000 0.219 397 L C 2.267 179.060 176.870 -0.128 0.000 1.134 397 L CA 1.489 56.272 54.840 -0.095 0.000 0.807 397 L CB -1.014 40.995 42.059 -0.083 0.000 0.927 397 L HN -0.041 nan 8.230 nan 0.000 0.447 398 R N -0.689 119.723 120.500 -0.148 0.000 2.115 398 R HA -0.060 4.280 4.340 -0.000 0.000 0.226 398 R C 1.880 178.045 176.300 -0.226 0.000 1.100 398 R CA 0.632 56.610 56.100 -0.203 0.000 0.980 398 R CB -0.003 30.180 30.300 -0.196 0.000 0.875 398 R HN 0.300 nan 8.270 nan 0.000 0.445 399 K N 0.201 120.497 120.400 -0.172 0.000 2.137 399 K HA 0.009 4.329 4.320 -0.000 0.000 0.202 399 K C 2.083 178.602 176.600 -0.135 0.000 1.052 399 K CA 1.386 57.577 56.287 -0.159 0.000 0.961 399 K CB -0.021 32.402 32.500 -0.128 0.000 0.741 399 K HN 0.148 nan 8.250 nan 0.000 0.452 400 S N 0.419 116.050 115.700 -0.114 0.000 2.478 400 S HA 0.027 4.497 4.470 -0.000 0.000 0.222 400 S C 0.778 175.326 174.600 -0.087 0.000 1.008 400 S CA 0.001 58.147 58.200 -0.090 0.000 0.928 400 S CB -0.064 63.093 63.200 -0.073 0.000 0.781 400 S HN 0.056 nan 8.310 nan 0.000 0.518 401 N N 2.360 120.997 118.700 -0.104 0.000 2.564 401 N HA 0.381 5.121 4.740 -0.000 0.000 0.248 401 N C -2.247 173.188 175.510 -0.124 0.000 0.986 401 N CA -2.347 50.654 53.050 -0.082 0.000 0.921 401 N CB 1.954 40.405 38.487 -0.060 0.000 1.136 401 N HN -0.010 nan 8.380 nan 0.000 0.509 402 P HA -0.101 nan 4.420 nan 0.000 0.225 402 P C 0.843 178.041 177.300 -0.169 0.000 1.148 402 P CA 0.674 63.677 63.100 -0.162 0.000 0.779 402 P CB 0.381 32.135 31.700 0.091 0.000 0.780 403 A N 0.042 122.877 122.820 0.025 0.000 1.930 403 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 403 A C 2.301 179.875 177.584 -0.017 0.000 1.175 403 A CA 1.086 53.183 52.037 0.100 0.000 0.627 403 A CB -1.310 17.775 19.000 0.141 0.000 0.815 403 A HN 0.144 nan 8.150 nan 0.000 0.443 404 I N -0.692 119.822 120.570 -0.092 0.000 2.406 404 I HA -0.151 4.018 4.170 -0.000 0.000 0.249 404 I C 2.886 178.851 176.117 -0.253 0.000 1.122 404 I CA 0.850 62.077 61.300 -0.122 0.000 1.431 404 I CB -0.228 37.704 38.000 -0.114 0.000 1.087 404 I HN 0.333 nan 8.210 nan 0.000 0.424 405 A N 0.088 122.637 122.820 -0.451 0.000 1.930 405 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 405 A C 1.702 178.793 177.584 -0.821 0.000 1.175 405 A CA 1.596 53.172 52.037 -0.769 0.000 0.627 405 A CB -0.491 17.756 19.000 -1.256 0.000 0.815 405 A HN 0.556 nan 8.150 nan 0.000 0.443 406 Y N -1.602 118.473 120.300 -0.375 0.000 2.476 406 Y HA 0.330 4.880 4.550 -0.000 0.000 0.261 406 Y C 1.596 177.389 175.900 -0.180 0.000 1.077 406 Y CA -0.605 57.241 58.100 -0.423 0.000 1.240 406 Y CB -0.005 37.857 38.460 -0.996 0.000 1.317 406 Y HN 0.287 nan 8.280 nan 0.000 0.540 407 G N 1.247 110.086 108.800 0.065 0.000 2.636 407 G HA2 0.302 4.262 3.960 -0.000 0.000 0.246 407 G HA3 0.302 4.262 3.960 -0.000 0.000 0.246 407 G C 0.236 175.265 174.900 0.216 0.000 1.216 407 G CA -0.132 45.126 45.100 0.263 0.000 0.854 407 G HN 0.221 nan 8.290 nan 0.000 0.572 408 S N -0.839 115.005 115.700 0.240 0.000 2.608 408 S HA 0.503 4.973 4.470 -0.000 0.000 0.261 408 S C 0.067 174.781 174.600 0.189 0.000 1.314 408 S CA -0.360 57.950 58.200 0.185 0.000 0.992 408 S CB 1.292 64.588 63.200 0.160 0.000 0.935 408 S HN 0.562 nan 8.310 nan 0.000 0.564 409 T N 1.287 115.947 114.554 0.176 0.000 2.792 409 T HA 0.395 4.745 4.350 -0.000 0.000 0.280 409 T C -0.851 174.006 174.700 0.263 0.000 0.990 409 T CA -0.379 61.846 62.100 0.209 0.000 0.960 409 T CB 0.505 69.449 68.868 0.127 0.000 0.939 409 T HN 0.812 nan 8.240 nan 0.000 0.439 410 H N 2.230 121.415 119.070 0.191 0.000 2.727 410 H HA 0.281 4.837 4.556 -0.001 0.000 0.330 410 H C -0.485 174.970 175.328 0.211 0.000 0.986 410 H CA -0.669 55.481 56.048 0.170 0.000 1.251 410 H CB 0.962 30.815 29.762 0.151 0.000 1.493 410 H HN 0.497 nan 8.280 nan 0.000 0.515 411 E N 4.793 125.196 120.200 0.338 0.000 2.324 411 E HA 0.011 4.361 4.350 -0.000 0.000 0.271 411 E C 0.039 176.705 176.600 0.109 0.000 1.028 411 E CA -0.227 56.314 56.400 0.235 0.000 0.890 411 E CB 0.643 30.457 29.700 0.190 0.000 1.004 411 E HN 0.728 nan 8.360 nan 0.000 0.431 412 R N 3.362 123.903 120.500 0.067 0.000 2.279 412 R HA 0.129 4.469 4.340 -0.000 0.000 0.195 412 R C -0.205 176.212 176.300 0.194 0.000 0.905 412 R CA 0.201 56.310 56.100 0.015 0.000 1.044 412 R CB 0.312 30.605 30.300 -0.012 0.000 1.056 412 R HN 0.573 nan 8.270 nan 0.000 0.535 413 W N -0.159 121.160 121.300 0.032 0.000 3.479 413 W HA 0.585 5.245 4.660 -0.000 0.000 0.304 413 W C -1.622 174.905 176.519 0.013 0.000 1.243 413 W CA -0.634 56.725 57.345 0.024 0.000 1.202 413 W CB 1.280 30.752 29.460 0.019 0.000 1.346 413 W HN -0.173 nan 8.180 nan 0.000 0.539 414 I N 4.871 125.278 120.570 -0.272 0.000 2.984 414 I HA 0.470 4.640 4.170 -0.000 0.000 0.303 414 I C -1.291 174.516 176.117 -0.515 0.000 1.381 414 I CA -0.552 60.609 61.300 -0.231 0.000 0.988 414 I CB 1.888 39.697 38.000 -0.318 0.000 1.307 414 I HN 0.729 nan 8.210 nan 0.000 0.460 415 N N 2.169 120.694 118.700 -0.293 0.000 3.449 415 N HA 0.327 5.067 4.740 -0.000 0.000 0.312 415 N C -0.669 174.745 175.510 -0.160 0.000 1.582 415 N CA -0.808 52.131 53.050 -0.185 0.000 0.850 415 N CB 0.572 39.034 38.487 -0.041 0.000 1.822 415 N HN 0.377 nan 8.380 nan 0.000 0.577 416 N N -0.210 118.495 118.700 0.009 0.000 2.205 416 N HA -0.073 4.667 4.740 -0.000 0.000 0.186 416 N C -0.235 175.246 175.510 -0.047 0.000 1.015 416 N CA 1.385 54.442 53.050 0.010 0.000 0.862 416 N CB -0.248 38.278 38.487 0.065 0.000 0.986 416 N HN 0.434 nan 8.380 nan 0.000 0.429 417 D N -1.060 119.335 120.400 -0.009 0.000 2.469 417 D HA 0.173 4.813 4.640 -0.000 0.000 0.213 417 D C -0.458 175.863 176.300 0.036 0.000 1.135 417 D CA 0.132 54.130 54.000 -0.003 0.000 0.834 417 D CB 1.375 42.194 40.800 0.031 0.000 1.009 417 D HN -0.111 nan 8.370 nan 0.000 0.507 418 V N 1.773 121.736 119.914 0.082 0.000 2.656 418 V HA 0.482 4.602 4.120 -0.000 0.000 0.307 418 V C -0.458 175.739 176.094 0.171 0.000 1.051 418 V CA -0.878 61.526 62.300 0.173 0.000 0.893 418 V CB 3.098 35.105 31.823 0.307 0.000 0.999 418 V HN -0.057 nan 8.190 nan 0.000 0.426 419 I N 4.892 125.582 120.570 0.200 0.000 2.582 419 I HA 0.602 4.772 4.170 -0.000 0.000 0.292 419 I C -1.399 174.904 176.117 0.309 0.000 1.066 419 I CA -0.737 60.705 61.300 0.236 0.000 1.053 419 I CB 1.868 39.995 38.000 0.211 0.000 1.241 419 I HN 0.560 nan 8.210 nan 0.000 0.421 420 I N 8.274 129.042 120.570 0.331 0.000 2.410 420 I HA 0.317 4.487 4.170 -0.000 0.000 0.286 420 I C -1.188 175.088 176.117 0.265 0.000 1.009 420 I CA -0.661 60.789 61.300 0.251 0.000 1.111 420 I CB 1.291 39.464 38.000 0.289 0.000 1.262 420 I HN 0.472 nan 8.210 nan 0.000 0.443 421 Y N 3.412 123.827 120.300 0.192 0.000 2.587 421 Y HA 0.770 5.320 4.550 -0.001 0.000 0.337 421 Y C -0.605 175.379 175.900 0.141 0.000 1.065 421 Y CA -1.249 56.949 58.100 0.163 0.000 1.126 421 Y CB 1.121 39.699 38.460 0.197 0.000 1.279 421 Y HN 0.479 nan 8.280 nan 0.000 0.489 422 E N 1.790 122.172 120.200 0.303 0.000 2.266 422 E HA 0.479 4.828 4.350 -0.000 0.000 0.268 422 E C -1.262 175.515 176.600 0.295 0.000 0.879 422 E CA -1.190 55.334 56.400 0.207 0.000 0.762 422 E CB 1.200 30.970 29.700 0.117 0.000 1.199 422 E HN 0.649 nan 8.360 nan 0.000 0.422 423 R N 3.342 123.984 120.500 0.236 0.000 2.387 423 R HA 0.428 4.768 4.340 -0.000 0.000 0.314 423 R C -0.728 175.693 176.300 0.201 0.000 0.958 423 R CA -0.633 55.601 56.100 0.223 0.000 0.846 423 R CB 1.519 31.926 30.300 0.178 0.000 1.147 423 R HN 0.478 nan 8.270 nan 0.000 0.447 424 K N 2.333 122.869 120.400 0.227 0.000 2.427 424 K HA 0.477 4.797 4.320 -0.000 0.000 0.252 424 K C -1.719 175.070 176.600 0.314 0.000 0.931 424 K CA -0.605 55.820 56.287 0.230 0.000 0.793 424 K CB 1.383 34.004 32.500 0.201 0.000 1.211 424 K HN 0.397 nan 8.250 nan 0.000 0.426 425 F N 4.045 124.053 119.950 0.098 0.000 2.941 425 F HA 0.369 4.896 4.527 -0.000 0.000 0.359 425 F C 0.256 176.097 175.800 0.069 0.000 1.231 425 F CA 0.622 58.677 58.000 0.092 0.000 1.089 425 F CB 1.079 40.151 39.000 0.120 0.000 1.407 425 F HN 0.848 nan 8.300 nan 0.000 0.538 426 G N 5.147 113.809 108.800 -0.230 0.000 2.561 426 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.289 426 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.289 426 G C 0.619 175.522 174.900 0.005 0.000 1.169 426 G CA 0.462 45.459 45.100 -0.170 0.000 0.980 426 G HN 0.601 nan 8.290 nan 0.000 0.550 427 N N 2.434 121.166 118.700 0.054 0.000 2.230 427 N HA 0.082 4.822 4.740 -0.000 0.000 0.202 427 N C 0.094 175.728 175.510 0.206 0.000 1.119 427 N CA 0.048 53.179 53.050 0.135 0.000 0.851 427 N CB -0.005 38.579 38.487 0.162 0.000 0.990 427 N HN 0.480 nan 8.380 nan 0.000 0.497 428 N N 0.907 119.709 118.700 0.169 0.000 2.499 428 N HA 0.261 5.001 4.740 -0.000 0.000 0.281 428 N C -0.564 175.058 175.510 0.185 0.000 1.098 428 N CA 0.029 53.176 53.050 0.163 0.000 0.979 428 N CB 2.373 40.953 38.487 0.155 0.000 1.121 428 N HN -0.233 nan 8.380 nan 0.000 0.466 429 V N 0.514 120.531 119.914 0.171 0.000 2.841 429 V HA 0.726 4.846 4.120 -0.000 0.000 0.310 429 V C -0.607 175.545 176.094 0.097 0.000 1.090 429 V CA -0.886 61.498 62.300 0.139 0.000 0.930 429 V CB 1.854 33.748 31.823 0.117 0.000 1.014 429 V HN 0.802 nan 8.190 nan 0.000 0.425 430 A N 3.239 126.109 122.820 0.082 0.000 2.414 430 A HA 0.954 5.274 4.320 -0.000 0.000 0.306 430 A C -1.338 176.272 177.584 0.042 0.000 1.054 430 A CA -0.618 51.448 52.037 0.047 0.000 0.724 430 A CB 2.062 21.078 19.000 0.026 0.000 1.267 430 A HN 0.744 nan 8.150 nan 0.000 0.418 431 V N 1.829 121.764 119.914 0.034 0.000 2.588 431 V HA 0.605 4.725 4.120 -0.000 0.000 0.304 431 V C -0.699 175.330 176.094 -0.108 0.000 1.042 431 V CA -0.505 61.821 62.300 0.044 0.000 0.877 431 V CB 1.744 33.702 31.823 0.224 0.000 0.996 431 V HN 0.720 nan 8.190 nan 0.000 0.425 432 V N 3.251 122.941 119.914 -0.374 0.000 2.531 432 V HA 0.858 4.978 4.120 -0.000 0.000 0.301 432 V C 0.041 175.895 176.094 -0.399 0.000 1.034 432 V CA -0.562 61.408 62.300 -0.550 0.000 0.865 432 V CB 1.840 33.143 31.823 -0.866 0.000 0.995 432 V HN 1.009 nan 8.190 nan 0.000 0.424 433 A N 6.207 128.872 122.820 -0.259 0.000 2.318 433 A HA 0.936 5.255 4.320 -0.000 0.000 0.317 433 A C -0.875 176.716 177.584 0.013 0.000 1.159 433 A CA -0.473 51.564 52.037 0.000 0.000 0.799 433 A CB 0.801 19.923 19.000 0.204 0.000 1.194 433 A HN 0.770 nan 8.150 nan 0.000 0.479 434 I N 2.405 123.048 120.570 0.122 0.000 2.499 434 I HA 0.280 4.449 4.170 -0.000 0.000 0.288 434 I C -0.745 175.472 176.117 0.167 0.000 1.048 434 I CA -0.764 60.629 61.300 0.154 0.000 1.062 434 I CB 2.304 40.465 38.000 0.269 0.000 1.238 434 I HN 0.653 nan 8.210 nan 0.000 0.426 435 N N 5.711 124.494 118.700 0.138 0.000 2.511 435 N HA 0.243 4.982 4.740 -0.000 0.000 0.249 435 N C 0.706 176.298 175.510 0.136 0.000 0.971 435 N CA -0.715 52.408 53.050 0.121 0.000 0.938 435 N CB 0.947 39.489 38.487 0.091 0.000 1.131 435 N HN 0.612 nan 8.380 nan 0.000 0.505 436 R N 1.992 122.576 120.500 0.140 0.000 2.299 436 R HA 0.095 4.435 4.340 -0.000 0.000 0.197 436 R C 0.093 176.456 176.300 0.105 0.000 0.971 436 R CA -0.035 56.161 56.100 0.160 0.000 1.030 436 R CB -0.082 30.281 30.300 0.104 0.000 0.932 436 R HN 0.252 nan 8.270 nan 0.000 0.477 437 N N 1.359 120.105 118.700 0.078 0.000 2.430 437 N HA 0.020 4.760 4.740 -0.000 0.000 0.265 437 N C 0.379 175.929 175.510 0.066 0.000 1.100 437 N CA -0.053 53.033 53.050 0.061 0.000 0.961 437 N CB 0.974 39.492 38.487 0.051 0.000 1.075 437 N HN 0.134 nan 8.380 nan 0.000 0.478 438 M N 2.859 122.497 119.600 0.063 0.000 2.561 438 M HA 0.051 4.531 4.480 -0.000 0.000 0.238 438 M C 0.329 176.658 176.300 0.048 0.000 1.131 438 M CA 0.572 55.909 55.300 0.061 0.000 1.046 438 M CB -0.817 31.822 32.600 0.065 0.000 1.532 438 M HN 0.559 nan 8.290 nan 0.000 0.497 439 N N -0.690 118.036 118.700 0.043 0.000 2.529 439 N HA 0.038 4.778 4.740 -0.000 0.000 0.231 439 N C -0.175 175.356 175.510 0.034 0.000 1.072 439 N CA 0.171 53.242 53.050 0.035 0.000 0.854 439 N CB 0.587 39.092 38.487 0.030 0.000 1.465 439 N HN 0.044 nan 8.380 nan 0.000 0.452 440 T N 3.891 118.467 114.554 0.037 0.000 2.744 440 T HA 0.290 4.640 4.350 -0.000 0.000 0.291 440 T C -2.643 172.078 174.700 0.036 0.000 0.957 440 T CA -1.349 60.772 62.100 0.035 0.000 1.002 440 T CB 1.762 70.651 68.868 0.036 0.000 0.919 440 T HN 0.007 nan 8.240 nan 0.000 0.468 441 P HA 0.276 nan 4.420 nan 0.000 0.269 441 P C -1.109 176.197 177.300 0.009 0.000 1.209 441 P CA -0.453 62.660 63.100 0.023 0.000 0.776 441 P CB 0.557 32.269 31.700 0.020 0.000 0.876 442 A N 2.210 125.019 122.820 -0.019 0.000 2.271 442 A HA 0.409 4.729 4.320 -0.000 0.000 0.317 442 A C 0.365 177.845 177.584 -0.172 0.000 1.245 442 A CA -0.533 51.468 52.037 -0.060 0.000 0.857 442 A CB 0.316 19.269 19.000 -0.079 0.000 1.175 442 A HN 0.467 nan 8.150 nan 0.000 0.512 443 S N 3.275 118.888 115.700 -0.144 0.000 2.448 443 S HA 0.449 4.919 4.470 -0.000 0.000 0.279 443 S C -0.085 174.259 174.600 -0.426 0.000 1.195 443 S CA -0.511 57.559 58.200 -0.216 0.000 1.051 443 S CB -0.402 62.748 63.200 -0.083 0.000 0.948 443 S HN 0.453 nan 8.310 nan 0.000 0.493 444 I N 5.826 125.940 120.570 -0.759 0.000 2.315 444 I HA 0.349 4.519 4.170 -0.000 0.000 0.291 444 I C 0.636 176.384 176.117 -0.615 0.000 1.006 444 I CA -0.247 60.370 61.300 -1.139 0.000 1.265 444 I CB 0.594 37.559 38.000 -1.724 0.000 1.387 444 I HN 0.731 nan 8.210 nan 0.000 0.475 445 T N 0.440 114.836 114.554 -0.263 0.000 2.912 445 T HA 0.653 5.003 4.350 -0.000 0.000 0.299 445 T C 0.512 175.286 174.700 0.123 0.000 1.052 445 T CA -0.229 61.844 62.100 -0.045 0.000 0.996 445 T CB 1.977 70.867 68.868 0.036 0.000 1.070 445 T HN 1.060 nan 8.240 nan 0.000 0.465 446 G N 0.935 109.786 108.800 0.085 0.000 2.147 446 G HA2 -0.170 3.789 3.960 -0.000 0.000 0.244 446 G HA3 -0.170 3.789 3.960 -0.000 0.000 0.244 446 G C -0.173 174.833 174.900 0.178 0.000 1.005 446 G CA 0.047 45.227 45.100 0.135 0.000 0.713 446 G HN 1.186 nan 8.290 nan 0.000 0.515 447 L N 0.855 122.148 121.223 0.117 0.000 2.360 447 L HA 0.672 5.012 4.340 -0.000 0.000 0.276 447 L C 0.237 177.161 176.870 0.089 0.000 1.121 447 L CA -0.399 54.526 54.840 0.141 0.000 0.845 447 L CB 1.462 43.558 42.059 0.062 0.000 1.143 447 L HN 0.086 nan 8.230 nan 0.000 0.452 448 V N 4.617 124.581 119.914 0.084 0.000 2.628 448 V HA 0.761 4.881 4.120 -0.000 0.000 0.306 448 V C 0.236 176.339 176.094 0.015 0.000 1.045 448 V CA 0.017 62.343 62.300 0.042 0.000 0.905 448 V CB 1.927 33.781 31.823 0.051 0.000 0.997 448 V HN 1.013 nan 8.190 nan 0.000 0.436 449 T N 0.139 114.689 114.554 -0.006 0.000 2.716 449 T HA 0.383 4.733 4.350 -0.000 0.000 0.286 449 T C 0.331 175.026 174.700 -0.009 0.000 1.052 449 T CA -0.429 61.658 62.100 -0.021 0.000 1.024 449 T CB 1.845 70.683 68.868 -0.051 0.000 1.349 449 T HN 0.312 nan 8.240 nan 0.000 0.525 450 S N -0.040 115.660 115.700 -0.000 0.000 2.597 450 S HA 0.330 4.800 4.470 -0.000 0.000 0.224 450 S C 0.471 175.043 174.600 -0.046 0.000 0.955 450 S CA -0.496 57.711 58.200 0.010 0.000 0.933 450 S CB -0.678 62.561 63.200 0.065 0.000 0.788 450 S HN 0.445 nan 8.310 nan 0.000 0.488 451 L N 2.902 124.057 121.223 -0.114 0.000 2.416 451 L HA 0.262 4.602 4.340 -0.000 0.000 0.272 451 L C -2.256 174.514 176.870 -0.167 0.000 1.161 451 L CA -2.019 52.685 54.840 -0.226 0.000 0.845 451 L CB 0.139 41.933 42.059 -0.442 0.000 1.119 451 L HN -0.031 nan 8.230 nan 0.000 0.464 452 P HA 0.010 nan 4.420 nan 0.000 0.270 452 P C -0.684 176.612 177.300 -0.007 0.000 1.223 452 P CA -0.470 62.516 63.100 -0.191 0.000 0.785 452 P CB 0.390 31.839 31.700 -0.418 0.000 0.923 453 R N 0.960 121.446 120.500 -0.025 0.000 2.583 453 R HA 0.398 4.737 4.340 -0.000 0.000 0.274 453 R C 0.170 176.454 176.300 -0.026 0.000 0.998 453 R CA 0.950 57.049 56.100 -0.003 0.000 1.081 453 R CB -0.684 29.598 30.300 -0.030 0.000 0.940 453 R HN 0.786 nan 8.270 nan 0.000 0.413 454 G N 1.016 109.780 108.800 -0.060 0.000 2.320 454 G HA2 0.099 4.059 3.960 -0.000 0.000 0.297 454 G HA3 0.099 4.059 3.960 -0.000 0.000 0.297 454 G C -1.647 173.057 174.900 -0.327 0.000 1.344 454 G CA -0.813 44.122 45.100 -0.275 0.000 0.851 454 G HN 0.461 nan 8.290 nan 0.000 0.567 455 S N 0.450 115.905 115.700 -0.409 0.000 2.528 455 S HA 0.503 4.973 4.470 -0.000 0.000 0.303 455 S C -0.968 173.424 174.600 -0.348 0.000 1.123 455 S CA -0.295 57.739 58.200 -0.277 0.000 1.138 455 S CB 0.147 63.245 63.200 -0.171 0.000 0.984 455 S HN 0.395 nan 8.310 nan 0.000 0.474 456 Y N 2.400 122.636 120.300 -0.108 0.000 2.336 456 Y HA 0.238 4.787 4.550 -0.000 0.000 0.335 456 Y C 0.847 176.807 175.900 0.099 0.000 1.046 456 Y CA -0.588 57.512 58.100 0.000 0.000 1.198 456 Y CB 0.427 38.884 38.460 -0.006 0.000 1.182 456 Y HN 0.499 nan 8.280 nan 0.000 0.502 457 N N 1.796 120.644 118.700 0.246 0.000 2.518 457 N HA 0.073 4.813 4.740 -0.000 0.000 0.283 457 N C -1.082 174.608 175.510 0.301 0.000 1.119 457 N CA -0.740 52.441 53.050 0.218 0.000 0.983 457 N CB 0.503 39.051 38.487 0.102 0.000 1.139 457 N HN 0.533 nan 8.380 nan 0.000 0.465 458 D N 1.596 122.133 120.400 0.228 0.000 2.412 458 D HA -0.042 4.597 4.640 -0.000 0.000 0.257 458 D C 0.895 177.172 176.300 -0.038 0.000 1.217 458 D CA -0.018 53.975 54.000 -0.012 0.000 0.897 458 D CB 0.659 41.431 40.800 -0.047 0.000 1.132 458 D HN 0.221 nan 8.370 nan 0.000 0.493 459 V N 4.571 124.435 119.914 -0.082 0.000 2.469 459 V HA -0.239 3.881 4.120 -0.000 0.000 0.251 459 V C 2.255 178.307 176.094 -0.071 0.000 1.064 459 V CA 1.338 63.604 62.300 -0.056 0.000 1.066 459 V CB -0.511 31.270 31.823 -0.071 0.000 0.667 459 V HN 0.655 nan 8.190 nan 0.000 0.461 460 L N 0.502 121.659 121.223 -0.110 0.000 2.622 460 L HA 0.167 4.507 4.340 -0.000 0.000 0.233 460 L C 1.723 178.566 176.870 -0.045 0.000 1.156 460 L CA 0.762 55.553 54.840 -0.081 0.000 0.866 460 L CB -0.838 41.157 42.059 -0.106 0.000 0.980 460 L HN 0.555 nan 8.230 nan 0.000 0.448 461 G N 0.146 108.927 108.800 -0.030 0.000 2.283 461 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.280 461 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.280 461 G C 1.018 175.917 174.900 -0.002 0.000 1.029 461 G CA 0.398 45.494 45.100 -0.006 0.000 0.840 461 G HN 0.670 nan 8.290 nan 0.000 0.505 462 G N -0.783 108.012 108.800 -0.009 0.000 2.196 462 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.268 462 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.268 462 G C 1.344 176.245 174.900 0.001 0.000 0.975 462 G CA 1.265 46.365 45.100 0.001 0.000 0.648 462 G HN 2.018 nan 8.290 nan 0.000 0.538 463 I N -2.296 118.272 120.570 -0.004 0.000 2.676 463 I HA 0.268 4.437 4.170 -0.000 0.000 0.259 463 I C 1.575 177.697 176.117 0.008 0.000 1.194 463 I CA 0.999 62.304 61.300 0.007 0.000 1.473 463 I CB -0.130 37.878 38.000 0.013 0.000 1.096 463 I HN 0.177 nan 8.210 nan 0.000 0.443 464 L N 1.868 123.087 121.223 -0.006 0.000 3.094 464 L HA 0.354 4.694 4.340 -0.000 0.000 0.254 464 L C -0.249 176.624 176.870 0.005 0.000 1.298 464 L CA -0.250 54.591 54.840 0.001 0.000 1.050 464 L CB -0.954 41.097 42.059 -0.014 0.000 1.420 464 L HN 0.324 nan 8.230 nan 0.000 0.548 465 N N -0.010 118.697 118.700 0.012 0.000 2.725 465 N HA -0.173 4.567 4.740 -0.000 0.000 0.249 465 N C 0.714 176.241 175.510 0.029 0.000 1.103 465 N CA 0.603 53.668 53.050 0.025 0.000 0.707 465 N CB -0.764 37.746 38.487 0.037 0.000 1.043 465 N HN 0.642 nan 8.380 nan 0.000 0.553 466 G N 0.040 108.840 108.800 -0.000 0.000 2.588 466 G HA2 0.498 4.458 3.960 -0.000 0.000 0.281 466 G HA3 0.498 4.458 3.960 -0.000 0.000 0.281 466 G C 0.085 175.017 174.900 0.054 0.000 1.236 466 G CA -0.141 44.956 45.100 -0.004 0.000 0.969 466 G HN 0.421 nan 8.290 nan 0.000 0.504 467 N N -1.978 116.796 118.700 0.123 0.000 2.774 467 N HA 0.284 5.024 4.740 -0.000 0.000 0.264 467 N C -1.090 174.561 175.510 0.235 0.000 1.415 467 N CA -0.613 52.512 53.050 0.124 0.000 0.815 467 N CB 1.175 39.706 38.487 0.073 0.000 1.514 467 N HN 0.331 nan 8.380 nan 0.000 0.523 468 T N 0.931 115.541 114.554 0.093 0.000 2.907 468 T HA 0.279 4.629 4.350 -0.000 0.000 0.298 468 T C -0.078 174.461 174.700 -0.267 0.000 1.017 468 T CA -0.266 61.857 62.100 0.038 0.000 1.118 468 T CB 0.398 69.257 68.868 -0.014 0.000 0.948 468 T HN 0.355 nan 8.240 nan 0.000 0.531 469 L N 3.534 124.424 121.223 -0.555 0.000 2.287 469 L HA 0.414 4.754 4.340 -0.000 0.000 0.287 469 L C -0.021 176.612 176.870 -0.395 0.000 1.022 469 L CA -0.017 54.289 54.840 -0.890 0.000 0.814 469 L CB 1.138 42.172 42.059 -1.709 0.000 1.217 469 L HN 0.601 nan 8.230 nan 0.000 0.420 470 T N 4.629 119.017 114.554 -0.276 0.000 2.744 470 T HA 0.525 4.875 4.350 -0.000 0.000 0.291 470 T C -0.398 174.238 174.700 -0.106 0.000 0.957 470 T CA -0.318 61.697 62.100 -0.141 0.000 1.002 470 T CB 1.018 69.825 68.868 -0.102 0.000 0.919 470 T HN 0.321 nan 8.240 nan 0.000 0.468 471 V N 3.385 123.275 119.914 -0.039 0.000 2.417 471 V HA 0.705 4.825 4.120 -0.000 0.000 0.291 471 V C 0.833 176.920 176.094 -0.011 0.000 1.024 471 V CA -0.527 61.764 62.300 -0.014 0.000 0.861 471 V CB 1.606 33.463 31.823 0.057 0.000 0.985 471 V HN 1.016 nan 8.190 nan 0.000 0.436 472 G N 2.730 111.519 108.800 -0.018 0.000 2.849 472 G HA2 0.655 4.615 3.960 -0.000 0.000 0.174 472 G HA3 0.655 4.615 3.960 -0.000 0.000 0.174 472 G C 0.066 174.958 174.900 -0.014 0.000 1.370 472 G CA -0.146 44.944 45.100 -0.017 0.000 1.040 472 G HN 1.014 nan 8.290 nan 0.000 0.582 473 A N -1.328 121.485 122.820 -0.012 0.000 2.488 473 A HA 0.513 4.833 4.320 -0.000 0.000 0.249 473 A C 1.366 178.946 177.584 -0.005 0.000 1.083 473 A CA 1.013 53.045 52.037 -0.009 0.000 0.768 473 A CB -0.524 18.473 19.000 -0.006 0.000 1.017 473 A HN 2.472 nan 8.150 nan 0.000 0.496 474 G N 1.232 110.028 108.800 -0.006 0.000 2.221 474 G HA2 0.156 4.116 3.960 -0.000 0.000 0.265 474 G HA3 0.156 4.116 3.960 -0.000 0.000 0.265 474 G C 1.569 176.468 174.900 -0.001 0.000 1.041 474 G CA 0.992 46.092 45.100 -0.000 0.000 0.807 474 G HN 2.783 nan 8.290 nan 0.000 0.502 475 G N -1.613 107.179 108.800 -0.013 0.000 2.196 475 G HA2 0.108 4.067 3.960 -0.000 0.000 0.268 475 G HA3 0.108 4.067 3.960 -0.000 0.000 0.268 475 G C 0.898 175.787 174.900 -0.017 0.000 0.975 475 G CA 1.333 46.419 45.100 -0.022 0.000 0.648 475 G HN 2.383 nan 8.290 nan 0.000 0.538 476 A N 0.129 122.945 122.820 -0.006 0.000 2.451 476 A HA 0.750 5.070 4.320 -0.000 0.000 0.266 476 A C 0.854 178.431 177.584 -0.011 0.000 1.119 476 A CA 1.012 53.050 52.037 0.002 0.000 0.786 476 A CB 0.377 19.383 19.000 0.010 0.000 1.061 476 A HN 2.028 nan 8.150 nan 0.000 0.503 477 A N 2.896 125.710 122.820 -0.011 0.000 2.327 477 A HA 0.573 4.893 4.320 -0.000 0.000 0.283 477 A C 0.807 178.397 177.584 0.010 0.000 1.127 477 A CA 0.108 52.128 52.037 -0.028 0.000 0.810 477 A CB 0.277 19.255 19.000 -0.036 0.000 1.066 477 A HN 1.432 nan 8.150 nan 0.000 0.492 478 S N 2.355 118.054 115.700 -0.003 0.000 2.549 478 S HA 0.066 4.536 4.470 -0.000 0.000 0.286 478 S C 0.356 175.015 174.600 0.099 0.000 1.314 478 S CA -0.663 57.551 58.200 0.022 0.000 1.062 478 S CB -0.354 62.842 63.200 -0.006 0.000 0.865 478 S HN 0.691 nan 8.310 nan 0.000 0.498 479 N N 3.241 121.979 118.700 0.064 0.000 2.407 479 N HA 0.335 5.075 4.740 -0.000 0.000 0.250 479 N C -0.377 175.209 175.510 0.126 0.000 1.236 479 N CA 0.436 53.503 53.050 0.029 0.000 0.879 479 N CB -0.123 38.344 38.487 -0.034 0.000 1.088 479 N HN 0.638 nan 8.380 nan 0.000 0.450 480 F N -2.799 117.082 119.950 -0.114 0.000 2.685 480 F HA 0.558 5.085 4.527 0.000 0.000 0.315 480 F C -0.522 175.224 175.800 -0.091 0.000 1.126 480 F CA -1.151 56.797 58.000 -0.087 0.000 0.950 480 F CB 0.943 39.894 39.000 -0.082 0.000 1.360 480 F HN 0.037 nan 8.300 nan 0.000 0.469 481 T N 3.140 117.742 114.554 0.080 0.000 2.749 481 T HA 0.459 4.809 4.350 -0.000 0.000 0.287 481 T C -0.918 173.855 174.700 0.121 0.000 0.970 481 T CA -0.303 61.787 62.100 -0.016 0.000 0.980 481 T CB 1.088 69.968 68.868 0.021 0.000 0.924 481 T HN 0.629 nan 8.240 nan 0.000 0.456 482 L N 4.485 125.721 121.223 0.022 0.000 2.278 482 L HA 0.616 4.956 4.340 -0.000 0.000 0.287 482 L C 0.615 177.537 176.870 0.086 0.000 1.072 482 L CA -0.400 54.529 54.840 0.149 0.000 0.819 482 L CB -0.238 41.874 42.059 0.089 0.000 1.176 482 L HN 0.792 nan 8.230 nan 0.000 0.435 483 A N 7.000 129.882 122.820 0.103 0.000 2.583 483 A HA 0.276 4.596 4.320 -0.000 0.000 0.231 483 A C -2.183 175.438 177.584 0.062 0.000 1.065 483 A CA -0.694 51.386 52.037 0.072 0.000 0.760 483 A CB -0.981 18.061 19.000 0.070 0.000 1.001 483 A HN 0.710 nan 8.150 nan 0.000 0.509 484 P HA 0.163 nan 4.420 nan 0.000 0.258 484 P C 1.011 178.348 177.300 0.061 0.000 1.172 484 P CA 2.016 65.148 63.100 0.054 0.000 0.762 484 P CB 0.253 31.981 31.700 0.046 0.000 0.764 485 G N 2.448 111.291 108.800 0.072 0.000 2.168 485 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.263 485 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.263 485 G C 0.656 175.598 174.900 0.071 0.000 0.977 485 G CA -0.135 45.013 45.100 0.080 0.000 0.659 485 G HN 0.883 nan 8.290 nan 0.000 0.533 486 G N -0.593 108.248 108.800 0.069 0.000 2.441 486 G HA2 0.540 4.500 3.960 -0.000 0.000 0.243 486 G HA3 0.540 4.500 3.960 -0.000 0.000 0.243 486 G C -0.104 174.821 174.900 0.041 0.000 1.281 486 G CA 1.001 46.136 45.100 0.058 0.000 0.854 486 G HN 0.770 nan 8.290 nan 0.000 0.560 487 T N 0.303 114.851 114.554 -0.010 0.000 3.071 487 T HA 0.659 5.008 4.350 -0.000 0.000 0.311 487 T C -0.332 174.260 174.700 -0.180 0.000 1.042 487 T CA 0.048 62.106 62.100 -0.070 0.000 1.028 487 T CB 1.730 70.567 68.868 -0.052 0.000 1.068 487 T HN 1.138 nan 8.240 nan 0.000 0.451 488 A N 2.312 124.912 122.820 -0.366 0.000 2.539 488 A HA 0.919 5.239 4.320 -0.000 0.000 0.296 488 A C -1.421 175.585 177.584 -0.962 0.000 1.073 488 A CA -0.708 50.917 52.037 -0.687 0.000 0.700 488 A CB 1.719 20.173 19.000 -0.909 0.000 1.296 488 A HN 0.660 nan 8.150 nan 0.000 0.405 489 V N 1.997 121.336 119.914 -0.958 0.000 2.577 489 V HA 0.585 4.705 4.120 -0.000 0.000 0.303 489 V C -1.242 174.452 176.094 -0.667 0.000 1.042 489 V CA -0.465 61.437 62.300 -0.663 0.000 0.872 489 V CB 1.574 33.199 31.823 -0.330 0.000 0.998 489 V HN 0.830 nan 8.190 nan 0.000 0.423 490 W N 3.850 125.101 121.300 -0.082 0.000 2.844 490 W HA 0.761 5.421 4.660 -0.000 0.000 0.340 490 W C -0.316 176.146 176.519 -0.095 0.000 1.093 490 W CA -0.625 56.679 57.345 -0.068 0.000 1.212 490 W CB 2.179 31.561 29.460 -0.129 0.000 1.422 490 W HN 0.714 nan 8.180 nan 0.000 0.515 491 Q N 1.164 121.063 119.800 0.165 0.000 2.534 491 Q HA 0.666 5.006 4.340 -0.000 0.000 0.290 491 Q C -2.299 173.818 176.000 0.195 0.000 0.991 491 Q CA -1.080 54.783 55.803 0.099 0.000 0.783 491 Q CB 3.454 32.237 28.738 0.074 0.000 1.470 491 Q HN 0.375 nan 8.270 nan 0.000 0.406 492 Y N 0.616 120.934 120.300 0.029 0.000 2.441 492 Y HA 0.585 5.135 4.550 0.000 0.000 0.334 492 Y C -1.713 174.232 175.900 0.074 0.000 1.061 492 Y CA -0.084 58.078 58.100 0.102 0.000 1.032 492 Y CB 2.429 40.938 38.460 0.081 0.000 1.266 492 Y HN 0.931 nan 8.280 nan 0.000 0.441 493 T N 1.824 116.015 114.554 -0.605 0.000 2.893 493 T HA 0.815 5.164 4.350 -0.000 0.000 0.291 493 T C -0.619 173.700 174.700 -0.635 0.000 1.028 493 T CA -0.676 61.171 62.100 -0.422 0.000 0.995 493 T CB 2.103 70.852 68.868 -0.199 0.000 1.051 493 T HN 0.755 nan 8.240 nan 0.000 0.470 494 T N 0.099 114.466 114.554 -0.312 0.000 2.665 494 T HA 0.429 4.779 4.350 -0.000 0.000 0.303 494 T C -1.735 172.931 174.700 -0.056 0.000 1.334 494 T CA -0.615 61.377 62.100 -0.180 0.000 1.011 494 T CB 1.582 70.404 68.868 -0.076 0.000 1.573 494 T HN 0.686 nan 8.240 nan 0.000 0.492 495 D N 1.435 121.822 120.400 -0.021 0.000 2.304 495 D HA 0.577 5.217 4.640 -0.000 0.000 0.247 495 D C -0.196 176.103 176.300 -0.003 0.000 1.089 495 D CA 0.035 54.028 54.000 -0.011 0.000 0.910 495 D CB 1.396 42.193 40.800 -0.005 0.000 1.199 495 D HN 0.699 nan 8.370 nan 0.000 0.426 496 A N 0.944 123.751 122.820 -0.022 0.000 2.301 496 A HA 0.427 4.747 4.320 -0.000 0.000 0.298 496 A C 1.104 178.672 177.584 -0.027 0.000 1.185 496 A CA -0.447 51.565 52.037 -0.042 0.000 0.830 496 A CB 0.402 19.341 19.000 -0.102 0.000 1.112 496 A HN 0.574 nan 8.150 nan 0.000 0.508 497 T N -0.211 114.335 114.554 -0.013 0.000 3.044 497 T HA 0.082 4.432 4.350 -0.000 0.000 0.255 497 T C 0.811 175.520 174.700 0.015 0.000 1.073 497 T CA 1.064 63.169 62.100 0.008 0.000 1.125 497 T CB -0.233 68.644 68.868 0.015 0.000 0.908 497 T HN 0.524 nan 8.240 nan 0.000 0.480 498 T N 4.675 119.224 114.554 -0.009 0.000 2.882 498 T HA 0.403 4.752 4.350 -0.000 0.000 0.287 498 T C -2.706 171.993 174.700 -0.000 0.000 0.992 498 T CA -1.432 60.670 62.100 0.004 0.000 1.076 498 T CB 1.378 70.232 68.868 -0.024 0.000 0.961 498 T HN 0.118 nan 8.240 nan 0.000 0.490 499 P HA 0.249 nan 4.420 nan 0.000 0.267 499 P C -0.972 176.366 177.300 0.063 0.000 1.209 499 P CA 0.070 63.275 63.100 0.174 0.000 0.763 499 P CB 0.244 32.160 31.700 0.359 0.000 0.816 500 I N 4.211 124.752 120.570 -0.049 0.000 2.534 500 I HA 0.367 4.536 4.170 -0.000 0.000 0.288 500 I C 0.305 176.469 176.117 0.077 0.000 1.077 500 I CA -0.905 60.317 61.300 -0.129 0.000 1.051 500 I CB 2.070 39.697 38.000 -0.621 0.000 1.234 500 I HN 0.141 nan 8.210 nan 0.000 0.425 501 I N 4.796 125.487 120.570 0.202 0.000 2.325 501 I HA 0.317 4.487 4.170 -0.000 0.000 0.291 501 I C 1.164 177.409 176.117 0.214 0.000 1.019 501 I CA 0.150 61.572 61.300 0.204 0.000 1.302 501 I CB 1.548 39.614 38.000 0.110 0.000 1.401 501 I HN 0.845 nan 8.210 nan 0.000 0.485 502 G N 5.014 113.743 108.800 -0.118 0.000 2.709 502 G HA2 0.100 4.060 3.960 -0.000 0.000 0.208 502 G HA3 0.100 4.060 3.960 -0.000 0.000 0.208 502 G C 0.252 174.988 174.900 -0.273 0.000 1.129 502 G CA 0.086 44.960 45.100 -0.376 0.000 0.793 502 G HN 0.656 nan 8.290 nan 0.000 0.524 503 N N -1.596 116.820 118.700 -0.473 0.000 2.745 503 N HA 0.433 5.173 4.740 -0.000 0.000 0.256 503 N C -2.179 173.001 175.510 -0.551 0.000 1.268 503 N CA -0.547 52.280 53.050 -0.372 0.000 0.887 503 N CB 2.335 40.798 38.487 -0.039 0.000 1.575 503 N HN -0.145 nan 8.380 nan 0.000 0.496 504 V N 0.658 120.272 119.914 -0.501 0.000 2.760 504 V HA 0.881 5.001 4.120 -0.000 0.000 0.309 504 V C -0.172 175.916 176.094 -0.010 0.000 1.077 504 V CA -0.490 61.624 62.300 -0.310 0.000 0.910 504 V CB 1.645 33.242 31.823 -0.377 0.000 1.008 504 V HN 0.823 nan 8.190 nan 0.000 0.424 505 G N 4.302 113.134 108.800 0.055 0.000 2.753 505 G HA2 0.727 4.687 3.960 -0.000 0.000 0.297 505 G HA3 0.727 4.687 3.960 -0.000 0.000 0.297 505 G C -3.346 171.637 174.900 0.139 0.000 1.430 505 G CA -1.178 44.005 45.100 0.138 0.000 1.040 505 G HN 0.488 nan 8.290 nan 0.000 0.530 506 P HA 0.219 nan 4.420 nan 0.000 0.274 506 P C 0.247 177.675 177.300 0.214 0.000 1.256 506 P CA -0.400 62.787 63.100 0.146 0.000 0.795 506 P CB 1.380 33.127 31.700 0.079 0.000 1.038 507 M N 0.124 119.774 119.600 0.084 0.000 2.383 507 M HA 0.282 4.762 4.480 -0.000 0.000 0.247 507 M C 0.500 176.506 176.300 -0.491 0.000 1.117 507 M CA 0.314 55.608 55.300 -0.009 0.000 0.995 507 M CB -0.622 32.026 32.600 0.079 0.000 1.480 507 M HN 0.460 nan 8.290 nan 0.000 0.485 508 M N 0.784 120.142 119.600 -0.403 0.000 2.274 508 M HA 0.601 5.081 4.480 -0.000 0.000 0.272 508 M C -2.204 173.955 176.300 -0.236 0.000 1.053 508 M CA -0.180 54.861 55.300 -0.432 0.000 0.978 508 M CB 2.194 34.645 32.600 -0.248 0.000 1.836 508 M HN 0.032 nan 8.290 nan 0.000 0.484 509 A N 3.729 126.445 122.820 -0.172 0.000 2.567 509 A HA 0.594 4.914 4.320 -0.000 0.000 0.291 509 A C -1.792 175.801 177.584 0.015 0.000 1.048 509 A CA -0.970 51.053 52.037 -0.025 0.000 0.661 509 A CB 1.558 20.602 19.000 0.074 0.000 1.288 509 A HN 0.899 nan 8.150 nan 0.000 0.424 510 K N 0.249 120.655 120.400 0.010 0.000 2.107 510 K HA 0.614 4.934 4.320 -0.000 0.000 0.251 510 K C -2.655 173.944 176.600 -0.003 0.000 1.012 510 K CA -1.480 54.810 56.287 0.006 0.000 0.920 510 K CB 0.034 32.532 32.500 -0.005 0.000 1.033 510 K HN 0.259 nan 8.250 nan 0.000 0.478 511 P HA -0.074 nan 4.420 nan 0.000 0.263 511 P C 0.466 177.726 177.300 -0.066 0.000 1.175 511 P CA 1.499 64.548 63.100 -0.085 0.000 0.761 511 P CB 0.485 32.131 31.700 -0.090 0.000 0.794 512 G N 0.867 109.614 108.800 -0.088 0.000 2.232 512 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.226 512 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.226 512 G C 0.090 174.963 174.900 -0.045 0.000 0.996 512 G CA -0.212 44.850 45.100 -0.064 0.000 0.626 512 G HN 0.543 nan 8.290 nan 0.000 0.509 513 V N 2.410 122.308 119.914 -0.027 0.000 2.614 513 V HA 0.477 4.597 4.120 -0.000 0.000 0.291 513 V C 0.957 177.051 176.094 0.001 0.000 1.049 513 V CA 0.519 62.817 62.300 -0.003 0.000 1.038 513 V CB 1.470 33.309 31.823 0.028 0.000 0.980 513 V HN 0.318 nan 8.190 nan 0.000 0.481 514 T N 6.835 121.386 114.554 -0.004 0.000 2.761 514 T HA 0.471 4.821 4.350 -0.000 0.000 0.296 514 T C 0.017 174.732 174.700 0.025 0.000 0.934 514 T CA 0.051 62.150 62.100 -0.002 0.000 1.091 514 T CB 0.003 68.860 68.868 -0.019 0.000 0.896 514 T HN 0.577 nan 8.240 nan 0.000 0.515 515 I N 0.278 120.871 120.570 0.038 0.000 2.793 515 I HA 0.719 4.889 4.170 -0.000 0.000 0.313 515 I C -0.147 175.960 176.117 -0.017 0.000 0.998 515 I CA -0.787 60.546 61.300 0.054 0.000 1.140 515 I CB 1.659 39.720 38.000 0.101 0.000 1.327 515 I HN 0.272 nan 8.210 nan 0.000 0.491 516 T N 4.735 119.275 114.554 -0.024 0.000 2.786 516 T HA 0.601 4.950 4.350 -0.000 0.000 0.283 516 T C -0.276 174.348 174.700 -0.127 0.000 0.992 516 T CA -0.195 61.863 62.100 -0.070 0.000 0.954 516 T CB 0.865 69.713 68.868 -0.034 0.000 0.934 516 T HN 0.369 nan 8.240 nan 0.000 0.440 517 I N 3.518 123.970 120.570 -0.196 0.000 2.382 517 I HA 0.374 4.543 4.170 -0.000 0.000 0.286 517 I C -0.521 175.515 176.117 -0.135 0.000 1.002 517 I CA -0.799 60.342 61.300 -0.266 0.000 1.135 517 I CB 1.437 39.178 38.000 -0.431 0.000 1.288 517 I HN 0.449 nan 8.210 nan 0.000 0.448 518 D N 4.611 124.939 120.400 -0.121 0.000 2.252 518 D HA 0.792 5.432 4.640 -0.000 0.000 0.245 518 D C 0.242 176.416 176.300 -0.210 0.000 1.009 518 D CA -0.034 53.914 54.000 -0.087 0.000 0.870 518 D CB 2.515 43.227 40.800 -0.147 0.000 1.251 518 D HN 0.776 nan 8.370 nan 0.000 0.460 519 G N 0.585 109.196 108.800 -0.315 0.000 2.498 519 G HA2 0.297 4.257 3.960 -0.000 0.000 0.181 519 G HA3 0.297 4.257 3.960 -0.000 0.000 0.181 519 G C -1.306 173.278 174.900 -0.527 0.000 1.169 519 G CA -0.590 44.244 45.100 -0.444 0.000 0.992 519 G HN 0.290 nan 8.290 nan 0.000 0.490 520 R N -0.920 119.230 120.500 -0.585 0.000 2.774 520 R HA 0.637 4.977 4.340 -0.000 0.000 0.272 520 R C 0.547 176.500 176.300 -0.579 0.000 1.000 520 R CA 0.008 55.837 56.100 -0.452 0.000 0.906 520 R CB 1.184 31.461 30.300 -0.038 0.000 1.227 520 R HN 2.223 nan 8.270 nan 0.000 0.468 521 G N 0.754 109.349 108.800 -0.342 0.000 2.143 521 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.248 521 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.248 521 G C 0.655 175.570 174.900 0.024 0.000 0.991 521 G CA 0.526 45.545 45.100 -0.136 0.000 0.689 521 G HN 0.572 nan 8.290 nan 0.000 0.522 522 F N 0.942 120.903 119.950 0.018 0.000 2.325 522 F HA 0.300 4.827 4.527 -0.000 0.000 0.299 522 F C 2.054 178.078 175.800 0.373 0.000 1.090 522 F CA 0.795 58.843 58.000 0.080 0.000 1.392 522 F CB 0.085 38.891 39.000 -0.323 0.000 1.053 522 F HN 0.855 nan 8.300 nan 0.000 0.521 523 G N 0.214 109.255 108.800 0.401 0.000 2.756 523 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.678 523 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.678 523 G C 0.383 175.536 174.900 0.421 0.000 1.349 523 G CA -0.331 44.970 45.100 0.335 0.000 0.847 523 G HN 0.094 nan 8.290 nan 0.000 0.548 524 S N -0.078 115.766 115.700 0.241 0.000 2.425 524 S HA 0.312 4.782 4.470 -0.000 0.000 0.225 524 S C 1.492 176.177 174.600 0.141 0.000 1.024 524 S CA 1.220 59.543 58.200 0.206 0.000 0.951 524 S CB 0.139 63.400 63.200 0.101 0.000 0.796 524 S HN 1.593 nan 8.310 nan 0.000 0.498 525 G N 1.449 110.244 108.800 -0.008 0.000 2.377 525 G HA2 0.441 4.401 3.960 -0.000 0.000 0.299 525 G HA3 0.441 4.401 3.960 -0.000 0.000 0.299 525 G C -0.637 173.840 174.900 -0.705 0.000 1.150 525 G CA -0.651 44.317 45.100 -0.220 0.000 0.847 525 G HN 0.199 nan 8.290 nan 0.000 0.501 526 K N 1.386 121.334 120.400 -0.752 0.000 2.447 526 K HA 0.311 4.631 4.320 -0.000 0.000 0.281 526 K C 0.924 176.815 176.600 -1.183 0.000 1.031 526 K CA 0.415 55.986 56.287 -1.193 0.000 1.019 526 K CB 0.287 32.491 32.500 -0.493 0.000 0.918 526 K HN 0.522 nan 8.250 nan 0.000 0.476 527 G N 2.153 109.784 108.800 -1.948 0.000 3.194 527 G HA2 0.325 4.285 3.960 -0.000 0.000 0.160 527 G HA3 0.325 4.285 3.960 -0.000 0.000 0.160 527 G C -0.968 173.617 174.900 -0.525 0.000 1.267 527 G CA -0.350 44.178 45.100 -0.954 0.000 0.962 527 G HN 0.558 nan 8.290 nan 0.000 0.612 528 T N -0.096 114.370 114.554 -0.148 0.000 2.861 528 T HA 0.558 4.908 4.350 -0.000 0.000 0.287 528 T C -0.956 173.690 174.700 -0.089 0.000 1.003 528 T CA -0.237 61.765 62.100 -0.162 0.000 0.977 528 T CB 2.072 70.748 68.868 -0.319 0.000 0.996 528 T HN 0.298 nan 8.240 nan 0.000 0.448 529 V N 3.308 123.119 119.914 -0.171 0.000 2.459 529 V HA 0.455 4.574 4.120 -0.000 0.000 0.295 529 V C -1.203 174.710 176.094 -0.301 0.000 1.029 529 V CA -0.878 61.318 62.300 -0.174 0.000 0.874 529 V CB 0.925 32.698 31.823 -0.082 0.000 0.985 529 V HN 0.826 nan 8.190 nan 0.000 0.438 530 Y N 3.857 124.122 120.300 -0.059 0.000 2.341 530 Y HA 0.589 5.139 4.550 -0.000 0.000 0.337 530 Y C -0.385 175.441 175.900 -0.123 0.000 1.014 530 Y CA -0.480 57.619 58.100 -0.001 0.000 1.111 530 Y CB 1.608 40.069 38.460 0.003 0.000 1.194 530 Y HN 0.523 nan 8.280 nan 0.000 0.462 531 F N 2.568 122.575 119.950 0.095 0.000 2.347 531 F HA 0.524 5.051 4.527 -0.000 0.000 0.366 531 F C 0.908 176.845 175.800 0.229 0.000 1.107 531 F CA -0.352 57.672 58.000 0.040 0.000 1.058 531 F CB 0.945 39.810 39.000 -0.225 0.000 1.236 531 F HN 0.796 nan 8.300 nan 0.000 0.456 532 G N 2.541 111.609 108.800 0.446 0.000 2.591 532 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.298 532 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.298 532 G C 0.981 176.043 174.900 0.271 0.000 1.195 532 G CA 0.470 45.795 45.100 0.375 0.000 0.989 532 G HN 0.800 nan 8.290 nan 0.000 0.551 533 T N -1.818 112.883 114.554 0.244 0.000 3.122 533 T HA 0.441 4.791 4.350 -0.000 0.000 0.250 533 T C 0.866 175.753 174.700 0.313 0.000 1.067 533 T CA 1.240 63.463 62.100 0.204 0.000 0.966 533 T CB 0.144 69.081 68.868 0.114 0.000 1.002 533 T HN 0.720 nan 8.240 nan 0.000 0.542 534 T N 3.401 118.144 114.554 0.315 0.000 2.737 534 T HA 0.607 4.957 4.350 -0.000 0.000 0.296 534 T C 0.367 175.197 174.700 0.217 0.000 0.922 534 T CA -0.493 61.742 62.100 0.225 0.000 1.079 534 T CB 0.686 69.637 68.868 0.138 0.000 0.892 534 T HN 0.520 nan 8.240 nan 0.000 0.514 535 A N 3.683 126.561 122.820 0.098 0.000 2.327 535 A HA 0.637 4.957 4.320 -0.000 0.000 0.283 535 A C -0.189 177.318 177.584 -0.129 0.000 1.127 535 A CA -0.559 51.360 52.037 -0.197 0.000 0.810 535 A CB 0.508 19.402 19.000 -0.177 0.000 1.066 535 A HN 0.675 nan 8.150 nan 0.000 0.492 536 V N 2.733 122.544 119.914 -0.172 0.000 2.483 536 V HA 0.667 4.787 4.120 -0.000 0.000 0.297 536 V C 0.247 176.274 176.094 -0.112 0.000 1.027 536 V CA 0.067 62.314 62.300 -0.088 0.000 0.855 536 V CB 1.411 33.233 31.823 -0.002 0.000 0.995 536 V HN 1.221 nan 8.190 nan 0.000 0.424 537 T N 0.828 115.324 114.554 -0.096 0.000 2.838 537 T HA 0.880 5.230 4.350 -0.000 0.000 0.292 537 T C 0.562 175.214 174.700 -0.080 0.000 1.113 537 T CA 0.130 62.166 62.100 -0.106 0.000 1.008 537 T CB 1.661 70.454 68.868 -0.124 0.000 1.259 537 T HN 1.712 nan 8.240 nan 0.000 0.520 538 G N 1.131 109.875 108.800 -0.093 0.000 2.591 538 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.298 538 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.298 538 G C 1.297 176.168 174.900 -0.048 0.000 1.195 538 G CA 1.237 46.292 45.100 -0.074 0.000 0.989 538 G HN 1.873 nan 8.290 nan 0.000 0.551 539 A N -0.758 122.037 122.820 -0.041 0.000 2.067 539 A HA 0.114 4.433 4.320 -0.000 0.000 0.219 539 A C 1.906 179.474 177.584 -0.027 0.000 1.158 539 A CA 2.306 54.325 52.037 -0.031 0.000 0.661 539 A CB -0.378 18.603 19.000 -0.031 0.000 0.801 539 A HN 0.608 nan 8.150 nan 0.000 0.452 540 D N -0.280 120.100 120.400 -0.033 0.000 2.312 540 D HA 0.035 4.675 4.640 -0.000 0.000 0.211 540 D C 0.385 176.676 176.300 -0.014 0.000 0.964 540 D CA 0.523 54.503 54.000 -0.035 0.000 0.877 540 D CB -0.026 40.742 40.800 -0.053 0.000 0.924 540 D HN 0.435 nan 8.370 nan 0.000 0.515 541 I N 1.507 122.081 120.570 0.008 0.000 2.308 541 I HA -0.024 4.146 4.170 -0.000 0.000 0.293 541 I C 1.477 177.619 176.117 0.042 0.000 1.078 541 I CA -0.425 60.908 61.300 0.055 0.000 1.292 541 I CB 1.819 39.894 38.000 0.125 0.000 1.423 541 I HN -0.278 nan 8.210 nan 0.000 0.493 542 V N 6.195 126.124 119.914 0.025 0.000 2.453 542 V HA -0.014 4.106 4.120 -0.000 0.000 0.247 542 V C 0.947 177.060 176.094 0.032 0.000 1.048 542 V CA 1.364 63.672 62.300 0.013 0.000 1.049 542 V CB -0.290 31.529 31.823 -0.006 0.000 0.672 542 V HN 0.841 nan 8.190 nan 0.000 0.457 543 A N -1.491 121.360 122.820 0.053 0.000 2.520 543 A HA 0.625 4.945 4.320 -0.000 0.000 0.298 543 A C -1.961 175.708 177.584 0.143 0.000 1.051 543 A CA -0.392 51.690 52.037 0.074 0.000 0.690 543 A CB 1.657 20.671 19.000 0.024 0.000 1.281 543 A HN 0.248 nan 8.150 nan 0.000 0.402 544 W N 2.964 124.248 121.300 -0.026 0.000 3.042 544 W HA 0.571 5.231 4.660 -0.000 0.000 0.337 544 W C -1.002 175.531 176.519 0.024 0.000 1.086 544 W CA -0.228 57.107 57.345 -0.016 0.000 1.236 544 W CB 1.824 31.264 29.460 -0.034 0.000 1.381 544 W HN 1.054 nan 8.180 nan 0.000 0.472 545 E N 1.335 121.598 120.200 0.105 0.000 2.456 545 E HA 0.184 4.534 4.350 -0.000 0.000 0.278 545 E C -0.580 176.090 176.600 0.117 0.000 1.034 545 E CA -0.582 55.931 56.400 0.187 0.000 0.846 545 E CB 1.463 31.224 29.700 0.103 0.000 1.460 545 E HN 0.171 nan 8.360 nan 0.000 0.463 546 D N -0.363 120.104 120.400 0.112 0.000 2.218 546 D HA -0.126 4.514 4.640 -0.000 0.000 0.204 546 D C 1.554 177.759 176.300 -0.158 0.000 0.976 546 D CA 2.411 56.437 54.000 0.044 0.000 0.853 546 D CB 0.243 41.049 40.800 0.011 0.000 0.939 546 D HN 0.543 nan 8.370 nan 0.000 0.481 547 T N -3.773 110.727 114.554 -0.090 0.000 3.001 547 T HA 0.143 4.492 4.350 -0.000 0.000 0.251 547 T C 0.560 175.260 174.700 0.001 0.000 1.040 547 T CA -0.503 61.493 62.100 -0.173 0.000 0.985 547 T CB 0.462 69.279 68.868 -0.085 0.000 1.011 547 T HN 0.079 nan 8.240 nan 0.000 0.509 548 Q N 0.178 120.048 119.800 0.116 0.000 2.295 548 Q HA 0.627 4.966 4.340 -0.000 0.000 0.268 548 Q C -2.090 173.835 176.000 -0.125 0.000 1.010 548 Q CA -0.819 55.018 55.803 0.058 0.000 0.856 548 Q CB 2.009 30.738 28.738 -0.016 0.000 1.349 548 Q HN 0.437 nan 8.270 nan 0.000 0.412 549 I N 2.561 122.940 120.570 -0.319 0.000 2.474 549 I HA 0.380 4.550 4.170 -0.000 0.000 0.294 549 I C -0.604 175.369 176.117 -0.240 0.000 1.005 549 I CA -0.685 60.341 61.300 -0.456 0.000 1.113 549 I CB 2.184 39.645 38.000 -0.899 0.000 1.289 549 I HN 0.519 nan 8.210 nan 0.000 0.436 550 Q N 4.685 124.409 119.800 -0.127 0.000 2.333 550 Q HA 0.668 5.008 4.340 -0.000 0.000 0.268 550 Q C -1.440 174.534 176.000 -0.044 0.000 1.007 550 Q CA -0.521 55.236 55.803 -0.076 0.000 0.810 550 Q CB 3.279 31.991 28.738 -0.044 0.000 1.264 550 Q HN 0.488 nan 8.270 nan 0.000 0.452 551 V N 2.829 122.720 119.914 -0.038 0.000 2.841 551 V HA 0.422 4.542 4.120 -0.000 0.000 0.310 551 V C -1.380 174.712 176.094 -0.003 0.000 1.090 551 V CA -0.763 61.535 62.300 -0.004 0.000 0.930 551 V CB 2.285 34.116 31.823 0.013 0.000 1.014 551 V HN 0.656 nan 8.190 nan 0.000 0.425 552 K N 5.455 125.837 120.400 -0.030 0.000 2.322 552 K HA 0.475 4.795 4.320 -0.000 0.000 0.283 552 K C -0.380 176.114 176.600 -0.177 0.000 1.042 552 K CA -0.189 56.053 56.287 -0.074 0.000 0.958 552 K CB 1.025 33.477 32.500 -0.080 0.000 0.984 552 K HN 0.581 nan 8.250 nan 0.000 0.473 553 I N 6.307 126.730 120.570 -0.245 0.000 2.668 553 I HA -0.021 4.149 4.170 -0.000 0.000 0.285 553 I C -1.534 174.252 176.117 -0.552 0.000 1.168 553 I CA -1.361 59.576 61.300 -0.605 0.000 1.424 553 I CB 0.086 37.904 38.000 -0.304 0.000 1.377 553 I HN 0.420 nan 8.210 nan 0.000 0.560 554 P HA 0.082 nan 4.420 nan 0.000 0.274 554 P C -0.750 176.355 177.300 -0.325 0.000 1.246 554 P CA -0.588 62.260 63.100 -0.420 0.000 0.795 554 P CB 0.819 32.282 31.700 -0.394 0.000 1.006 555 A N 2.021 124.726 122.820 -0.191 0.000 2.990 555 A HA 0.381 4.700 4.320 -0.000 0.000 0.282 555 A C 0.670 178.192 177.584 -0.104 0.000 1.688 555 A CA -0.406 51.555 52.037 -0.127 0.000 1.391 555 A CB -1.492 17.462 19.000 -0.077 0.000 1.112 555 A HN 0.386 nan 8.150 nan 0.000 0.588 556 V N -0.652 119.173 119.914 -0.148 0.000 2.837 556 V HA 0.625 4.745 4.120 -0.000 0.000 0.310 556 V C -2.468 173.643 176.094 0.028 0.000 1.059 556 V CA -2.624 59.631 62.300 -0.076 0.000 1.004 556 V CB 0.508 32.180 31.823 -0.252 0.000 1.045 556 V HN 0.481 nan 8.190 nan 0.000 0.465 557 P HA 0.218 nan 4.420 nan 0.000 0.267 557 P C 0.410 177.846 177.300 0.227 0.000 1.201 557 P CA 0.535 63.728 63.100 0.156 0.000 0.775 557 P CB 0.090 31.887 31.700 0.161 0.000 0.854 558 G N 0.629 109.524 108.800 0.159 0.000 2.491 558 G HA2 0.467 4.427 3.960 -0.000 0.000 0.238 558 G HA3 0.467 4.427 3.960 -0.000 0.000 0.238 558 G C 0.197 175.221 174.900 0.206 0.000 1.277 558 G CA 0.427 45.632 45.100 0.175 0.000 0.851 558 G HN 0.813 nan 8.290 nan 0.000 0.573 559 G N -0.252 108.690 108.800 0.237 0.000 2.352 559 G HA2 0.339 4.299 3.960 -0.000 0.000 0.283 559 G HA3 0.339 4.299 3.960 -0.000 0.000 0.283 559 G C -1.653 173.326 174.900 0.131 0.000 1.308 559 G CA -0.883 44.280 45.100 0.104 0.000 0.892 559 G HN 0.696 nan 8.290 nan 0.000 0.504 560 I N 0.750 121.289 120.570 -0.052 0.000 2.336 560 I HA 0.651 4.821 4.170 -0.000 0.000 0.292 560 I C -0.834 175.208 176.117 -0.125 0.000 0.991 560 I CA -0.645 60.676 61.300 0.035 0.000 1.227 560 I CB 1.187 39.194 38.000 0.013 0.000 1.366 560 I HN 0.431 nan 8.210 nan 0.000 0.466 561 Y N 3.620 124.073 120.300 0.254 0.000 2.485 561 Y HA 0.457 5.007 4.550 -0.000 0.000 0.345 561 Y C -0.133 175.886 175.900 0.199 0.000 0.998 561 Y CA -1.055 57.196 58.100 0.251 0.000 1.059 561 Y CB 1.373 40.059 38.460 0.376 0.000 1.234 561 Y HN 0.443 nan 8.280 nan 0.000 0.461 562 D N 2.742 123.297 120.400 0.258 0.000 2.255 562 D HA 0.391 5.031 4.640 -0.000 0.000 0.249 562 D C -0.382 175.963 176.300 0.076 0.000 1.078 562 D CA 0.102 54.192 54.000 0.149 0.000 0.896 562 D CB 1.652 42.507 40.800 0.090 0.000 1.194 562 D HN 0.376 nan 8.370 nan 0.000 0.429 563 I N 1.465 122.032 120.570 -0.005 0.000 2.493 563 I HA 0.439 4.609 4.170 -0.000 0.000 0.298 563 I C 0.285 176.365 176.117 -0.062 0.000 0.998 563 I CA -0.689 60.486 61.300 -0.209 0.000 1.137 563 I CB 1.852 39.633 38.000 -0.365 0.000 1.310 563 I HN 0.058 nan 8.210 nan 0.000 0.445 564 R N 3.821 124.286 120.500 -0.058 0.000 2.668 564 R HA 0.718 5.057 4.340 -0.000 0.000 0.272 564 R C -2.102 174.240 176.300 0.070 0.000 1.019 564 R CA -0.537 55.590 56.100 0.045 0.000 0.894 564 R CB 2.440 32.793 30.300 0.089 0.000 1.228 564 R HN 0.403 nan 8.270 nan 0.000 0.460 565 V N 2.080 122.028 119.914 0.057 0.000 2.628 565 V HA 0.819 4.939 4.120 -0.000 0.000 0.306 565 V C -0.675 175.536 176.094 0.196 0.000 1.045 565 V CA -0.591 61.735 62.300 0.043 0.000 0.905 565 V CB 1.771 33.458 31.823 -0.226 0.000 0.997 565 V HN 0.905 nan 8.190 nan 0.000 0.436 566 A N 3.698 126.679 122.820 0.269 0.000 2.343 566 A HA 0.775 5.095 4.320 -0.000 0.000 0.316 566 A C -0.205 177.550 177.584 0.285 0.000 1.104 566 A CA -0.780 51.413 52.037 0.259 0.000 0.768 566 A CB 0.935 20.102 19.000 0.278 0.000 1.213 566 A HN 0.936 nan 8.150 nan 0.000 0.456 567 N N 1.687 120.551 118.700 0.273 0.000 2.327 567 N HA 0.364 5.104 4.740 -0.000 0.000 0.257 567 N C 1.121 176.662 175.510 0.051 0.000 1.281 567 N CA 0.100 53.322 53.050 0.287 0.000 0.942 567 N CB 0.279 38.941 38.487 0.291 0.000 1.199 567 N HN 0.601 nan 8.380 nan 0.000 0.532 568 A N -0.978 121.808 122.820 -0.058 0.000 2.076 568 A HA 0.000 4.320 4.320 -0.000 0.000 0.220 568 A C 1.914 179.470 177.584 -0.046 0.000 1.160 568 A CA 1.891 53.853 52.037 -0.126 0.000 0.653 568 A CB -1.312 17.599 19.000 -0.149 0.000 0.801 568 A HN 0.872 nan 8.150 nan 0.000 0.455 569 A N -2.204 120.619 122.820 0.005 0.000 2.251 569 A HA 0.429 4.749 4.320 -0.000 0.000 0.209 569 A C 1.825 179.427 177.584 0.030 0.000 1.187 569 A CA 1.118 53.165 52.037 0.017 0.000 0.823 569 A CB -0.735 18.284 19.000 0.032 0.000 0.846 569 A HN 1.816 nan 8.150 nan 0.000 0.486 570 G N -1.663 107.164 108.800 0.044 0.000 2.176 570 G HA2 0.034 3.994 3.960 -0.000 0.000 0.253 570 G HA3 0.034 3.994 3.960 -0.000 0.000 0.253 570 G C 0.505 175.452 174.900 0.078 0.000 0.979 570 G CA 0.244 45.382 45.100 0.063 0.000 0.641 570 G HN 1.642 nan 8.290 nan 0.000 0.530 571 A N 0.287 123.155 122.820 0.080 0.000 2.492 571 A HA 0.768 5.088 4.320 -0.000 0.000 0.254 571 A C 0.847 178.494 177.584 0.105 0.000 1.091 571 A CA 1.214 53.298 52.037 0.078 0.000 0.768 571 A CB 0.388 19.432 19.000 0.074 0.000 1.028 571 A HN 2.060 nan 8.150 nan 0.000 0.498 572 A N 2.760 125.631 122.820 0.085 0.000 2.295 572 A HA 0.705 5.025 4.320 -0.000 0.000 0.318 572 A C 0.826 178.459 177.584 0.083 0.000 1.134 572 A CA 0.107 52.203 52.037 0.098 0.000 0.827 572 A CB 0.376 19.410 19.000 0.056 0.000 1.136 572 A HN 1.714 nan 8.150 nan 0.000 0.493 573 S N 1.478 117.238 115.700 0.099 0.000 2.671 573 S HA 0.337 4.807 4.470 -0.000 0.000 0.272 573 S C 0.292 174.927 174.600 0.057 0.000 1.174 573 S CA -0.554 57.697 58.200 0.086 0.000 1.004 573 S CB 0.157 63.434 63.200 0.128 0.000 1.077 573 S HN 0.929 nan 8.310 nan 0.000 0.553 574 N N -0.022 118.710 118.700 0.054 0.000 2.415 574 N HA 0.123 4.863 4.740 -0.000 0.000 0.248 574 N C -0.452 175.108 175.510 0.082 0.000 1.271 574 N CA -0.345 52.738 53.050 0.055 0.000 0.913 574 N CB -0.009 38.514 38.487 0.061 0.000 1.129 574 N HN 0.701 nan 8.380 nan 0.000 0.444 575 I N 0.653 121.262 120.570 0.065 0.000 2.474 575 I HA 0.035 4.205 4.170 -0.000 0.000 0.287 575 I C -0.634 175.552 176.117 0.113 0.000 1.048 575 I CA -0.500 60.843 61.300 0.071 0.000 1.383 575 I CB 0.361 38.381 38.000 0.032 0.000 1.412 575 I HN 0.499 nan 8.210 nan 0.000 0.531 576 Y N 6.895 127.199 120.300 0.007 0.000 2.464 576 Y HA 0.183 4.733 4.550 -0.000 0.000 0.326 576 Y C 0.098 176.026 175.900 0.047 0.000 0.969 576 Y CA -0.988 57.129 58.100 0.028 0.000 1.270 576 Y CB 0.378 38.841 38.460 0.005 0.000 1.103 576 Y HN 0.599 nan 8.280 nan 0.000 0.491 577 D N 2.038 122.410 120.400 -0.047 0.000 2.478 577 D HA 0.109 4.749 4.640 -0.000 0.000 0.269 577 D C 0.113 176.470 176.300 0.094 0.000 1.232 577 D CA -0.400 53.623 54.000 0.038 0.000 1.059 577 D CB 0.560 41.352 40.800 -0.014 0.000 1.104 577 D HN 0.574 nan 8.370 nan 0.000 0.566 578 N N -2.493 116.278 118.700 0.119 0.000 2.741 578 N HA -0.236 4.504 4.740 -0.000 0.000 0.250 578 N C -1.241 174.389 175.510 0.200 0.000 1.115 578 N CA 0.192 53.315 53.050 0.122 0.000 0.724 578 N CB -1.885 36.637 38.487 0.058 0.000 1.090 578 N HN 0.420 nan 8.380 nan 0.000 0.558 579 F N 1.514 121.567 119.950 0.171 0.000 2.427 579 F HA 0.326 4.853 4.527 -0.000 0.000 0.352 579 F C 0.725 176.671 175.800 0.243 0.000 1.100 579 F CA -0.360 57.768 58.000 0.214 0.000 1.191 579 F CB 0.700 39.849 39.000 0.248 0.000 1.128 579 F HN 0.144 nan 8.300 nan 0.000 0.533 580 E N 5.599 125.510 120.200 -0.483 0.000 2.113 580 E HA 0.394 4.743 4.350 -0.000 0.000 0.273 580 E C -1.499 174.958 176.600 -0.238 0.000 0.924 580 E CA -0.742 55.550 56.400 -0.181 0.000 0.764 580 E CB 1.224 30.834 29.700 -0.150 0.000 1.104 580 E HN 0.500 nan 8.360 nan 0.000 0.406 581 V N 6.391 126.415 119.914 0.182 0.000 2.406 581 V HA 0.196 4.316 4.120 -0.000 0.000 0.272 581 V C 0.448 176.602 176.094 0.099 0.000 1.043 581 V CA -0.439 61.974 62.300 0.187 0.000 0.915 581 V CB 0.860 32.819 31.823 0.227 0.000 0.988 581 V HN 0.698 nan 8.190 nan 0.000 0.466 582 L N 3.903 125.144 121.223 0.030 0.000 2.418 582 L HA 0.250 4.590 4.340 -0.000 0.000 0.265 582 L C 1.698 178.588 176.870 0.033 0.000 1.143 582 L CA -0.172 54.679 54.840 0.017 0.000 0.809 582 L CB 0.963 43.014 42.059 -0.014 0.000 1.124 582 L HN 0.668 nan 8.230 nan 0.000 0.456 583 T N 0.433 115.006 114.554 0.032 0.000 2.962 583 T HA 0.101 4.451 4.350 -0.000 0.000 0.270 583 T C 0.634 175.345 174.700 0.019 0.000 1.088 583 T CA 0.967 63.086 62.100 0.031 0.000 1.127 583 T CB 0.015 68.902 68.868 0.031 0.000 0.883 583 T HN 0.907 nan 8.240 nan 0.000 0.493 584 G N -0.033 108.773 108.800 0.011 0.000 2.360 584 G HA2 0.257 4.217 3.960 -0.000 0.000 0.276 584 G HA3 0.257 4.217 3.960 -0.000 0.000 0.276 584 G C -2.086 172.814 174.900 -0.001 0.000 1.256 584 G CA -0.856 44.247 45.100 0.005 0.000 0.890 584 G HN 0.029 nan 8.290 nan 0.000 0.486 585 D N 0.663 121.062 120.400 -0.002 0.000 2.368 585 D HA 0.364 5.004 4.640 -0.000 0.000 0.240 585 D C -0.053 176.244 176.300 -0.004 0.000 1.169 585 D CA 0.473 54.468 54.000 -0.008 0.000 0.906 585 D CB 0.841 41.638 40.800 -0.005 0.000 1.187 585 D HN 0.202 nan 8.370 nan 0.000 0.435 586 Q N 0.082 119.873 119.800 -0.015 0.000 2.301 586 Q HA 0.594 4.934 4.340 -0.000 0.000 0.267 586 Q C -0.404 175.602 176.000 0.010 0.000 1.035 586 Q CA -0.987 54.813 55.803 -0.005 0.000 0.856 586 Q CB 2.296 31.014 28.738 -0.034 0.000 1.337 586 Q HN 0.326 nan 8.270 nan 0.000 0.450 587 V N -2.229 117.711 119.914 0.044 0.000 3.049 587 V HA 0.690 4.810 4.120 -0.000 0.000 0.309 587 V C -0.390 175.769 176.094 0.107 0.000 1.148 587 V CA -0.878 61.467 62.300 0.074 0.000 0.990 587 V CB 1.930 33.806 31.823 0.089 0.000 1.039 587 V HN 0.668 nan 8.190 nan 0.000 0.430 588 T N 2.690 117.334 114.554 0.150 0.000 2.767 588 T HA 0.647 4.997 4.350 -0.000 0.000 0.288 588 T C -0.285 174.516 174.700 0.168 0.000 0.963 588 T CA -0.263 61.955 62.100 0.195 0.000 1.019 588 T CB 1.300 70.350 68.868 0.305 0.000 0.923 588 T HN 0.693 nan 8.240 nan 0.000 0.468 589 V N 3.975 123.964 119.914 0.125 0.000 2.495 589 V HA 0.467 4.587 4.120 -0.000 0.000 0.298 589 V C 0.302 176.345 176.094 -0.084 0.000 1.031 589 V CA -1.065 61.195 62.300 -0.067 0.000 0.871 589 V CB 1.787 33.456 31.823 -0.257 0.000 0.988 589 V HN 0.737 nan 8.190 nan 0.000 0.432 590 R N 3.832 124.273 120.500 -0.097 0.000 2.234 590 R HA 0.421 4.761 4.340 -0.000 0.000 0.324 590 R C -1.424 174.776 176.300 -0.166 0.000 1.054 590 R CA -0.220 55.903 56.100 0.039 0.000 0.912 590 R CB 0.361 30.742 30.300 0.134 0.000 1.030 590 R HN 0.518 nan 8.270 nan 0.000 0.455 591 F N 4.052 124.087 119.950 0.142 0.000 2.415 591 F HA 0.357 4.884 4.527 -0.000 0.000 0.348 591 F C -0.169 175.742 175.800 0.185 0.000 1.119 591 F CA -0.661 57.436 58.000 0.161 0.000 1.069 591 F CB 1.892 41.052 39.000 0.267 0.000 1.124 591 F HN 0.108 nan 8.300 nan 0.000 0.472 592 V N 5.484 125.502 119.914 0.173 0.000 2.487 592 V HA 0.463 4.583 4.120 -0.000 0.000 0.298 592 V C -0.673 175.356 176.094 -0.109 0.000 1.028 592 V CA -0.818 61.446 62.300 -0.059 0.000 0.860 592 V CB 2.044 33.621 31.823 -0.411 0.000 0.991 592 V HN 0.649 nan 8.190 nan 0.000 0.427 593 I N 4.973 125.443 120.570 -0.165 0.000 2.436 593 I HA 0.545 4.715 4.170 -0.000 0.000 0.289 593 I C -0.320 175.748 176.117 -0.081 0.000 1.010 593 I CA -0.174 60.955 61.300 -0.285 0.000 1.098 593 I CB 1.400 38.938 38.000 -0.770 0.000 1.266 593 I HN 0.589 nan 8.210 nan 0.000 0.434 594 N N 5.873 124.540 118.700 -0.055 0.000 2.476 594 N HA 0.308 5.048 4.740 -0.000 0.000 0.275 594 N C -0.360 175.169 175.510 0.033 0.000 1.190 594 N CA -0.367 52.678 53.050 -0.008 0.000 0.977 594 N CB 0.778 39.257 38.487 -0.013 0.000 1.200 594 N HN 0.628 nan 8.380 nan 0.000 0.515 595 N N -0.896 117.801 118.700 -0.004 0.000 2.740 595 N HA -0.183 4.557 4.740 -0.000 0.000 0.248 595 N C -1.031 174.450 175.510 -0.049 0.000 1.062 595 N CA 0.554 53.593 53.050 -0.020 0.000 0.704 595 N CB -1.286 37.226 38.487 0.042 0.000 0.968 595 N HN 0.647 nan 8.380 nan 0.000 0.547 596 A N 0.338 123.100 122.820 -0.097 0.000 2.801 596 A HA 0.472 4.792 4.320 -0.000 0.000 0.344 596 A C 0.803 178.283 177.584 -0.174 0.000 1.322 596 A CA -0.224 51.624 52.037 -0.316 0.000 0.913 596 A CB 0.131 18.936 19.000 -0.325 0.000 1.140 596 A HN 0.268 nan 8.150 nan 0.000 0.487 597 T N 0.342 114.766 114.554 -0.217 0.000 2.907 597 T HA 0.584 4.934 4.350 -0.000 0.000 0.298 597 T C 0.360 175.117 174.700 0.094 0.000 1.017 597 T CA 0.249 62.345 62.100 -0.007 0.000 1.118 597 T CB 0.971 69.829 68.868 -0.017 0.000 0.948 597 T HN 0.878 nan 8.240 nan 0.000 0.531 598 T N -0.870 113.903 114.554 0.364 0.000 2.901 598 T HA 0.788 5.138 4.350 -0.000 0.000 0.293 598 T C 0.021 174.799 174.700 0.129 0.000 1.084 598 T CA -0.836 61.367 62.100 0.172 0.000 1.008 598 T CB 1.422 70.435 68.868 0.243 0.000 1.170 598 T HN 1.038 nan 8.240 nan 0.000 0.509 599 A N 0.936 123.790 122.820 0.057 0.000 2.259 599 A HA 0.697 5.016 4.320 -0.000 0.000 0.278 599 A C 0.146 177.747 177.584 0.028 0.000 1.107 599 A CA -0.783 51.275 52.037 0.035 0.000 0.828 599 A CB -0.069 18.943 19.000 0.020 0.000 1.111 599 A HN 1.067 nan 8.150 nan 0.000 0.498 600 L N 0.529 121.758 121.223 0.010 0.000 2.499 600 L HA 0.453 4.792 4.340 -0.000 0.000 0.273 600 L C 1.296 178.179 176.870 0.022 0.000 1.195 600 L CA 1.982 56.825 54.840 0.005 0.000 0.882 600 L CB 0.138 42.195 42.059 -0.003 0.000 1.133 600 L HN 1.620 nan 8.230 nan 0.000 0.483 601 G N 2.584 111.405 108.800 0.035 0.000 2.184 601 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.264 601 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.264 601 G C 0.268 175.207 174.900 0.065 0.000 0.975 601 G CA 0.512 45.641 45.100 0.049 0.000 0.642 601 G HN 0.844 nan 8.290 nan 0.000 0.536 602 Q N 0.149 119.990 119.800 0.067 0.000 2.293 602 Q HA 0.611 4.951 4.340 -0.000 0.000 0.261 602 Q C -0.240 175.801 176.000 0.069 0.000 0.960 602 Q CA -0.598 55.237 55.803 0.054 0.000 0.882 602 Q CB 0.568 29.317 28.738 0.017 0.000 1.275 602 Q HN 0.502 nan 8.270 nan 0.000 0.445 603 N N 0.954 119.671 118.700 0.027 0.000 2.312 603 N HA 0.499 5.239 4.740 -0.000 0.000 0.296 603 N C -1.602 173.632 175.510 -0.460 0.000 1.193 603 N CA -0.668 52.258 53.050 -0.207 0.000 0.773 603 N CB 2.191 40.611 38.487 -0.113 0.000 1.435 603 N HN 0.230 nan 8.380 nan 0.000 0.484 604 V N 1.786 121.018 119.914 -1.138 0.000 2.539 604 V HA 0.533 4.653 4.120 -0.000 0.000 0.292 604 V C -0.819 174.898 176.094 -0.629 0.000 1.045 604 V CA -0.076 61.750 62.300 -0.790 0.000 0.945 604 V CB 0.219 31.300 31.823 -1.237 0.000 0.993 604 V HN 0.494 nan 8.190 nan 0.000 0.464 605 F N 3.517 123.329 119.950 -0.230 0.000 2.664 605 F HA 0.789 5.316 4.527 -0.000 0.000 0.329 605 F C -0.421 175.295 175.800 -0.139 0.000 1.090 605 F CA -1.005 56.864 58.000 -0.219 0.000 0.978 605 F CB 1.822 40.672 39.000 -0.249 0.000 1.378 605 F HN 0.331 nan 8.300 nan 0.000 0.495 606 L N 0.623 121.808 121.223 -0.064 0.000 2.408 606 L HA 0.841 5.181 4.340 -0.000 0.000 0.268 606 L C -0.650 176.057 176.870 -0.272 0.000 0.986 606 L CA 0.151 54.787 54.840 -0.340 0.000 0.820 606 L CB 1.977 43.708 42.059 -0.546 0.000 1.303 606 L HN 0.665 nan 8.230 nan 0.000 0.411 607 T N 2.294 116.703 114.554 -0.242 0.000 2.812 607 T HA 0.963 5.313 4.350 -0.000 0.000 0.294 607 T C -0.650 173.836 174.700 -0.358 0.000 1.159 607 T CA 0.001 61.978 62.100 -0.205 0.000 1.008 607 T CB 1.558 70.405 68.868 -0.035 0.000 1.289 607 T HN 1.162 nan 8.240 nan 0.000 0.514 608 G N 0.467 108.868 108.800 -0.664 0.000 2.490 608 G HA2 0.268 4.228 3.960 -0.000 0.000 0.308 608 G HA3 0.268 4.228 3.960 -0.000 0.000 0.308 608 G C -0.330 173.731 174.900 -1.398 0.000 1.286 608 G CA -0.049 44.304 45.100 -1.245 0.000 0.825 608 G HN 0.921 nan 8.290 nan 0.000 0.479 609 N N -1.382 116.686 118.700 -1.053 0.000 2.370 609 N HA 0.233 4.973 4.740 -0.000 0.000 0.198 609 N C 0.410 175.788 175.510 -0.221 0.000 1.156 609 N CA 0.160 52.856 53.050 -0.590 0.000 0.839 609 N CB 0.404 38.867 38.487 -0.040 0.000 0.989 609 N HN 0.545 nan 8.380 nan 0.000 0.468 610 V N -3.305 116.486 119.914 -0.205 0.000 3.001 610 V HA 0.410 4.530 4.120 -0.000 0.000 0.314 610 V C 1.276 177.324 176.094 -0.076 0.000 1.099 610 V CA -0.762 61.491 62.300 -0.078 0.000 0.989 610 V CB 1.408 33.210 31.823 -0.034 0.000 1.040 610 V HN 0.145 nan 8.190 nan 0.000 0.434 611 S N 0.224 115.912 115.700 -0.020 0.000 2.419 611 S HA -0.186 4.284 4.470 -0.000 0.000 0.233 611 S C 1.325 175.916 174.600 -0.015 0.000 1.016 611 S CA 1.586 59.781 58.200 -0.008 0.000 0.974 611 S CB -0.575 62.644 63.200 0.032 0.000 0.786 611 S HN 0.893 nan 8.310 nan 0.000 0.492 612 E N 1.263 121.457 120.200 -0.011 0.000 2.265 612 E HA 0.108 4.458 4.350 -0.000 0.000 0.196 612 E C 1.317 177.901 176.600 -0.027 0.000 0.996 612 E CA 0.697 57.098 56.400 0.002 0.000 0.832 612 E CB -0.279 29.432 29.700 0.019 0.000 0.756 612 E HN 0.550 nan 8.360 nan 0.000 0.491 613 L N -1.127 120.042 121.223 -0.090 0.000 2.818 613 L HA 0.310 4.650 4.340 -0.000 0.000 0.243 613 L C 0.933 177.716 176.870 -0.146 0.000 1.185 613 L CA 0.151 54.899 54.840 -0.154 0.000 0.988 613 L CB 0.288 42.196 42.059 -0.252 0.000 1.292 613 L HN 0.294 nan 8.230 nan 0.000 0.519 614 G N 0.331 109.078 108.800 -0.089 0.000 2.143 614 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.249 614 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.249 614 G C 0.390 175.263 174.900 -0.045 0.000 0.981 614 G CA 0.188 45.254 45.100 -0.056 0.000 0.665 614 G HN 0.595 nan 8.290 nan 0.000 0.528 615 N N -1.621 117.018 118.700 -0.102 0.000 2.699 615 N HA -0.244 4.496 4.740 -0.000 0.000 0.256 615 N C 0.923 176.490 175.510 0.095 0.000 0.993 615 N CA 1.327 54.332 53.050 -0.075 0.000 0.759 615 N CB -1.162 37.337 38.487 0.020 0.000 0.906 615 N HN 1.017 nan 8.380 nan 0.000 0.541 616 W N -3.211 118.143 121.300 0.090 0.000 2.589 616 W HA -0.267 4.393 4.660 -0.000 0.000 0.272 616 W C 0.361 177.004 176.519 0.206 0.000 1.060 616 W CA 0.319 57.765 57.345 0.168 0.000 0.533 616 W CB -1.127 28.394 29.460 0.101 0.000 2.084 616 W HN 0.346 nan 8.180 nan 0.000 1.371 617 D N 0.065 120.630 120.400 0.274 0.000 2.313 617 D HA 0.201 4.841 4.640 -0.000 0.000 0.239 617 D C -1.061 175.290 176.300 0.085 0.000 1.142 617 D CA -2.102 52.006 54.000 0.181 0.000 0.847 617 D CB 1.362 42.217 40.800 0.092 0.000 1.082 617 D HN -0.203 nan 8.370 nan 0.000 0.480 618 P HA -0.108 nan 4.420 nan 0.000 0.217 618 P C 0.645 177.822 177.300 -0.205 0.000 1.148 618 P CA 0.891 63.900 63.100 -0.152 0.000 0.828 618 P CB 0.324 31.933 31.700 -0.151 0.000 0.783 619 N N -1.229 117.402 118.700 -0.115 0.000 2.381 619 N HA -0.074 4.666 4.740 -0.000 0.000 0.182 619 N C 0.786 176.234 175.510 -0.104 0.000 1.025 619 N CA 0.863 53.842 53.050 -0.120 0.000 0.888 619 N CB -0.613 37.835 38.487 -0.065 0.000 0.965 619 N HN 0.113 nan 8.380 nan 0.000 0.438 620 N N -0.161 118.495 118.700 -0.075 0.000 2.214 620 N HA 0.215 4.955 4.740 -0.000 0.000 0.214 620 N C -0.421 175.051 175.510 -0.063 0.000 1.132 620 N CA -0.123 52.895 53.050 -0.055 0.000 0.856 620 N CB 0.378 38.848 38.487 -0.027 0.000 1.020 620 N HN 0.101 nan 8.380 nan 0.000 0.509 621 A N 0.753 123.511 122.820 -0.103 0.000 2.425 621 A HA 0.283 4.603 4.320 -0.000 0.000 0.242 621 A C 0.318 177.913 177.584 0.018 0.000 1.077 621 A CA -0.127 51.862 52.037 -0.080 0.000 0.781 621 A CB 0.261 19.170 19.000 -0.151 0.000 1.020 621 A HN 0.077 nan 8.150 nan 0.000 0.494 622 I N 1.487 122.046 120.570 -0.019 0.000 2.416 622 I HA 0.550 4.720 4.170 -0.000 0.000 0.288 622 I C 0.995 177.011 176.117 -0.168 0.000 1.051 622 I CA 1.215 62.481 61.300 -0.056 0.000 1.375 622 I CB -0.417 37.539 38.000 -0.072 0.000 1.407 622 I HN 1.007 nan 8.210 nan 0.000 0.516 623 G N 7.872 116.462 108.800 -0.350 0.000 2.350 623 G HA2 0.137 4.097 3.960 -0.000 0.000 0.282 623 G HA3 0.137 4.097 3.960 -0.000 0.000 0.282 623 G C -3.268 171.278 174.900 -0.591 0.000 1.314 623 G CA -0.933 43.633 45.100 -0.890 0.000 0.915 623 G HN 0.347 nan 8.290 nan 0.000 0.499 624 P HA 0.368 nan 4.420 nan 0.000 0.265 624 P C 0.483 177.290 177.300 -0.822 0.000 1.193 624 P CA 0.104 62.540 63.100 -1.107 0.000 0.765 624 P CB 0.353 31.747 31.700 -0.511 0.000 0.823 625 M N 1.903 121.078 119.600 -0.708 0.000 2.157 625 M HA 0.153 4.633 4.480 -0.000 0.000 0.304 625 M C 0.114 176.478 176.300 0.108 0.000 1.171 625 M CA 0.390 55.428 55.300 -0.437 0.000 1.157 625 M CB 0.078 32.627 32.600 -0.084 0.000 1.403 625 M HN 0.273 nan 8.290 nan 0.000 0.473 626 Y N 1.146 121.452 120.300 0.009 0.000 2.403 626 Y HA 0.273 4.822 4.550 -0.000 0.000 0.323 626 Y C 0.567 176.279 175.900 -0.313 0.000 1.226 626 Y CA -1.457 56.493 58.100 -0.250 0.000 1.235 626 Y CB 0.583 38.672 38.460 -0.619 0.000 1.248 626 Y HN 0.696 nan 8.280 nan 0.000 0.489 627 N N -1.351 117.287 118.700 -0.103 0.000 2.423 627 N HA 0.089 4.829 4.740 -0.000 0.000 0.262 627 N C -0.528 174.945 175.510 -0.062 0.000 1.467 627 N CA -0.129 52.814 53.050 -0.180 0.000 0.847 627 N CB -0.173 37.762 38.487 -0.921 0.000 1.394 627 N HN 0.670 nan 8.380 nan 0.000 0.495 628 Q N -0.719 119.101 119.800 0.033 0.000 2.599 628 Q HA 0.328 4.668 4.340 -0.000 0.000 0.229 628 Q C 1.009 176.964 176.000 -0.076 0.000 0.800 628 Q CA 0.301 56.079 55.803 -0.043 0.000 0.937 628 Q CB 0.846 29.532 28.738 -0.087 0.000 1.285 628 Q HN 0.079 nan 8.270 nan 0.000 0.600 629 V N 0.399 120.247 119.914 -0.110 0.000 2.326 629 V HA -0.095 4.025 4.120 -0.000 0.000 0.237 629 V C 2.073 177.746 176.094 -0.702 0.000 1.044 629 V CA 1.180 63.255 62.300 -0.374 0.000 1.035 629 V CB -0.290 31.297 31.823 -0.392 0.000 0.675 629 V HN 0.092 nan 8.190 nan 0.000 0.470 630 V N -1.575 117.756 119.914 -0.971 0.000 2.427 630 V HA -0.079 4.041 4.120 -0.000 0.000 0.248 630 V C 0.581 175.955 176.094 -1.201 0.000 1.051 630 V CA 1.455 62.975 62.300 -1.300 0.000 1.048 630 V CB -0.575 30.251 31.823 -1.662 0.000 0.666 630 V HN 0.513 nan 8.190 nan 0.000 0.456 631 Y N -1.612 118.314 120.300 -0.622 0.000 2.553 631 Y HA 0.680 5.229 4.550 -0.000 0.000 0.347 631 Y C -0.326 175.532 175.900 -0.070 0.000 1.019 631 Y CA -1.271 56.678 58.100 -0.251 0.000 1.032 631 Y CB 1.721 40.094 38.460 -0.145 0.000 1.284 631 Y HN -0.031 nan 8.280 nan 0.000 0.466 632 Q N 0.632 120.487 119.800 0.091 0.000 2.345 632 Q HA 0.327 4.667 4.340 -0.000 0.000 0.268 632 Q C -1.385 174.618 176.000 0.005 0.000 1.054 632 Q CA -1.048 54.774 55.803 0.032 0.000 0.835 632 Q CB 1.623 30.363 28.738 0.004 0.000 1.339 632 Q HN 0.587 nan 8.270 nan 0.000 0.447 633 Y N 4.156 124.336 120.300 -0.199 0.000 2.904 633 Y HA -0.031 4.519 4.550 -0.000 0.000 0.336 633 Y C -1.238 174.607 175.900 -0.091 0.000 1.263 633 Y CA -0.474 57.467 58.100 -0.265 0.000 1.547 633 Y CB 0.707 38.962 38.460 -0.341 0.000 1.272 633 Y HN 0.561 nan 8.280 nan 0.000 0.596 634 P HA 0.055 nan 4.420 nan 0.000 0.255 634 P C -0.738 176.415 177.300 -0.245 0.000 1.427 634 P CA 0.100 62.635 63.100 -0.942 0.000 0.863 634 P CB -0.073 31.131 31.700 -0.827 0.000 1.444 635 T N 0.641 115.116 114.554 -0.132 0.000 2.799 635 T HA 0.324 4.674 4.350 -0.000 0.000 0.286 635 T C -0.686 174.071 174.700 0.095 0.000 0.973 635 T CA 0.041 62.163 62.100 0.037 0.000 1.035 635 T CB 0.729 69.616 68.868 0.032 0.000 0.932 635 T HN 0.038 nan 8.240 nan 0.000 0.469 636 W N 2.859 124.175 121.300 0.026 0.000 2.706 636 W HA 0.640 5.300 4.660 -0.000 0.000 0.346 636 W C -0.704 175.919 176.519 0.174 0.000 1.071 636 W CA -0.897 56.513 57.345 0.108 0.000 1.206 636 W CB 1.013 30.478 29.460 0.009 0.000 1.413 636 W HN 0.709 nan 8.180 nan 0.000 0.542 637 Y N -0.377 120.121 120.300 0.329 0.000 2.597 637 Y HA 0.795 5.345 4.550 -0.000 0.000 0.340 637 Y C -1.977 174.188 175.900 0.442 0.000 1.097 637 Y CA -2.736 55.535 58.100 0.284 0.000 1.037 637 Y CB 1.587 40.184 38.460 0.228 0.000 1.305 637 Y HN 0.539 nan 8.280 nan 0.000 0.463 638 Y N 0.661 121.105 120.300 0.240 0.000 2.521 638 Y HA 0.326 4.875 4.550 -0.000 0.000 0.328 638 Y C -1.663 174.428 175.900 0.319 0.000 1.151 638 Y CA -1.099 57.068 58.100 0.113 0.000 1.054 638 Y CB 1.820 40.279 38.460 -0.002 0.000 1.338 638 Y HN 0.767 nan 8.280 nan 0.000 0.453 639 D N 4.134 124.562 120.400 0.047 0.000 2.317 639 D HA 0.482 5.121 4.640 -0.000 0.000 0.234 639 D C -1.067 175.340 176.300 0.179 0.000 1.112 639 D CA 0.143 54.264 54.000 0.201 0.000 0.840 639 D CB 1.985 42.944 40.800 0.265 0.000 1.078 639 D HN 0.185 nan 8.370 nan 0.000 0.486 640 V N 1.359 121.466 119.914 0.321 0.000 2.709 640 V HA 0.280 4.399 4.120 -0.000 0.000 0.308 640 V C 0.223 176.479 176.094 0.271 0.000 1.062 640 V CA -0.885 61.613 62.300 0.329 0.000 0.901 640 V CB 2.160 34.219 31.823 0.394 0.000 1.003 640 V HN 0.453 nan 8.190 nan 0.000 0.425 641 S N 3.481 119.304 115.700 0.204 0.000 2.499 641 S HA 0.657 5.127 4.470 -0.000 0.000 0.275 641 S C -0.448 174.228 174.600 0.127 0.000 1.257 641 S CA -0.390 57.888 58.200 0.130 0.000 1.050 641 S CB 0.473 63.708 63.200 0.059 0.000 0.937 641 S HN 0.985 nan 8.310 nan 0.000 0.490 642 V N 3.112 123.100 119.914 0.123 0.000 3.040 642 V HA 0.788 4.908 4.120 -0.000 0.000 0.312 642 V C -2.807 173.335 176.094 0.080 0.000 1.115 642 V CA -2.810 59.558 62.300 0.113 0.000 0.998 642 V CB 1.670 33.603 31.823 0.182 0.000 1.042 642 V HN 0.673 nan 8.190 nan 0.000 0.433 643 P HA 0.261 nan 4.420 nan 0.000 0.268 643 P C -0.195 177.134 177.300 0.048 0.000 1.204 643 P CA 0.482 63.608 63.100 0.043 0.000 0.768 643 P CB 0.951 32.673 31.700 0.035 0.000 0.842 644 A N 2.960 125.801 122.820 0.034 0.000 2.371 644 A HA 0.519 4.839 4.320 -0.000 0.000 0.257 644 A C 1.350 178.943 177.584 0.014 0.000 1.089 644 A CA 0.286 52.340 52.037 0.029 0.000 0.794 644 A CB -0.883 18.130 19.000 0.022 0.000 1.029 644 A HN 0.831 nan 8.150 nan 0.000 0.488 645 G N 0.568 109.368 108.800 0.000 0.000 2.221 645 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.265 645 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.265 645 G C -0.076 174.813 174.900 -0.019 0.000 1.041 645 G CA 0.749 45.840 45.100 -0.015 0.000 0.807 645 G HN 1.716 nan 8.290 nan 0.000 0.502 646 Q N -1.701 118.086 119.800 -0.021 0.000 2.511 646 Q HA 0.694 5.034 4.340 -0.000 0.000 0.289 646 Q C -0.837 175.156 176.000 -0.011 0.000 1.021 646 Q CA -0.853 54.945 55.803 -0.009 0.000 0.785 646 Q CB 0.927 29.675 28.738 0.016 0.000 1.472 646 Q HN 0.118 nan 8.270 nan 0.000 0.411 647 T N 2.817 117.379 114.554 0.013 0.000 2.729 647 T HA 0.459 4.809 4.350 -0.000 0.000 0.296 647 T C 0.265 175.033 174.700 0.113 0.000 0.928 647 T CA -0.524 61.605 62.100 0.050 0.000 1.045 647 T CB -0.275 68.621 68.868 0.048 0.000 0.902 647 T HN 0.477 nan 8.240 nan 0.000 0.500 648 I N 0.206 120.889 120.570 0.188 0.000 2.676 648 I HA 0.678 4.847 4.170 -0.000 0.000 0.309 648 I C -0.140 176.187 176.117 0.350 0.000 0.990 648 I CA -0.988 60.443 61.300 0.218 0.000 1.168 648 I CB 1.571 39.690 38.000 0.200 0.000 1.343 648 I HN 0.391 nan 8.210 nan 0.000 0.482 649 E N 3.817 124.186 120.200 0.282 0.000 2.207 649 E HA 0.664 5.014 4.350 -0.000 0.000 0.270 649 E C -1.487 175.267 176.600 0.257 0.000 0.927 649 E CA -0.589 56.004 56.400 0.321 0.000 0.799 649 E CB 2.580 32.509 29.700 0.381 0.000 1.172 649 E HN 0.616 nan 8.360 nan 0.000 0.404 650 F N -0.910 119.099 119.950 0.098 0.000 2.713 650 F HA 0.646 5.173 4.527 -0.000 0.000 0.311 650 F C -1.336 174.563 175.800 0.167 0.000 1.141 650 F CA -1.115 56.827 58.000 -0.097 0.000 0.939 650 F CB 1.551 40.398 39.000 -0.255 0.000 1.325 650 F HN 0.102 nan 8.300 nan 0.000 0.453 651 K N 1.058 121.599 120.400 0.235 0.000 2.532 651 K HA 0.549 4.869 4.320 -0.000 0.000 0.265 651 K C -1.987 174.632 176.600 0.032 0.000 0.948 651 K CA -0.746 55.669 56.287 0.213 0.000 0.842 651 K CB 2.901 35.713 32.500 0.520 0.000 1.392 651 K HN 0.578 nan 8.250 nan 0.000 0.436 652 F N 1.751 121.798 119.950 0.161 0.000 2.403 652 F HA 0.534 5.061 4.527 -0.000 0.000 0.326 652 F C 0.105 175.989 175.800 0.139 0.000 1.081 652 F CA -0.718 57.376 58.000 0.157 0.000 1.041 652 F CB 0.896 40.041 39.000 0.242 0.000 1.234 652 F HN 0.270 nan 8.300 nan 0.000 0.503 653 L N -0.772 120.633 121.223 0.303 0.000 2.465 653 L HA 0.668 5.008 4.340 -0.000 0.000 0.257 653 L C -1.576 175.382 176.870 0.147 0.000 0.988 653 L CA -1.190 53.720 54.840 0.116 0.000 0.827 653 L CB 1.949 43.667 42.059 -0.568 0.000 1.397 653 L HN 0.383 nan 8.230 nan 0.000 0.410 654 K N 1.238 121.675 120.400 0.061 0.000 2.164 654 K HA 0.672 4.992 4.320 -0.000 0.000 0.258 654 K C -1.090 175.474 176.600 -0.060 0.000 0.951 654 K CA -0.811 55.437 56.287 -0.065 0.000 0.844 654 K CB 2.003 34.391 32.500 -0.187 0.000 1.099 654 K HN 0.510 nan 8.250 nan 0.000 0.435 655 K N 2.681 123.078 120.400 -0.005 0.000 2.397 655 K HA 0.195 4.515 4.320 -0.000 0.000 0.253 655 K C -1.258 175.334 176.600 -0.013 0.000 0.932 655 K CA -0.749 55.467 56.287 -0.118 0.000 0.795 655 K CB 2.127 34.376 32.500 -0.417 0.000 1.159 655 K HN 0.611 nan 8.250 nan 0.000 0.424 656 Q N 1.558 121.337 119.800 -0.034 0.000 2.294 656 Q HA 0.496 4.836 4.340 -0.000 0.000 0.264 656 Q C 0.332 176.320 176.000 -0.020 0.000 0.992 656 Q CA -0.755 55.047 55.803 -0.002 0.000 0.747 656 Q CB 1.767 30.508 28.738 0.005 0.000 1.262 656 Q HN 0.723 nan 8.270 nan 0.000 0.452 657 G N 2.797 111.588 108.800 -0.015 0.000 2.629 657 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.313 657 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.313 657 G C 0.670 175.540 174.900 -0.050 0.000 1.217 657 G CA 0.555 45.641 45.100 -0.023 0.000 0.994 657 G HN 0.800 nan 8.290 nan 0.000 0.549 658 S N 0.472 116.148 115.700 -0.040 0.000 2.558 658 S HA 0.317 4.787 4.470 -0.000 0.000 0.217 658 S C 0.819 175.390 174.600 -0.048 0.000 0.975 658 S CA 1.235 59.408 58.200 -0.046 0.000 0.912 658 S CB 0.402 63.586 63.200 -0.026 0.000 0.776 658 S HN 0.840 nan 8.310 nan 0.000 0.526 659 T N 2.800 117.328 114.554 -0.044 0.000 2.771 659 T HA 0.480 4.830 4.350 -0.000 0.000 0.291 659 T C -0.329 174.334 174.700 -0.063 0.000 0.954 659 T CA -0.312 61.770 62.100 -0.030 0.000 1.045 659 T CB 1.562 70.424 68.868 -0.010 0.000 0.917 659 T HN -0.082 nan 8.240 nan 0.000 0.484 660 V N 4.082 123.961 119.914 -0.057 0.000 2.398 660 V HA 0.417 4.537 4.120 -0.000 0.000 0.286 660 V C 0.276 176.345 176.094 -0.041 0.000 1.026 660 V CA -0.676 61.543 62.300 -0.135 0.000 0.868 660 V CB 1.752 33.468 31.823 -0.179 0.000 0.982 660 V HN 0.960 nan 8.190 nan 0.000 0.443 661 T N 4.664 119.201 114.554 -0.029 0.000 2.788 661 T HA 0.370 4.720 4.350 -0.000 0.000 0.296 661 T C -0.612 174.211 174.700 0.205 0.000 1.009 661 T CA -0.255 61.926 62.100 0.136 0.000 0.949 661 T CB 0.311 69.263 68.868 0.140 0.000 0.946 661 T HN 0.545 nan 8.240 nan 0.000 0.453 662 W N 2.992 124.391 121.300 0.166 0.000 2.251 662 W HA 0.352 5.012 4.660 -0.000 0.000 0.329 662 W C 0.955 177.503 176.519 0.049 0.000 1.234 662 W CA -1.039 56.378 57.345 0.120 0.000 1.228 662 W CB 0.499 29.971 29.460 0.021 0.000 1.135 662 W HN 0.635 nan 8.180 nan 0.000 0.576 663 E N 1.568 121.775 120.200 0.010 0.000 2.390 663 E HA 0.489 4.838 4.350 -0.000 0.000 0.261 663 E C 0.633 177.133 176.600 -0.166 0.000 1.076 663 E CA -0.539 55.548 56.400 -0.522 0.000 0.905 663 E CB 0.764 29.718 29.700 -1.244 0.000 0.984 663 E HN 0.480 nan 8.360 nan 0.000 0.427 664 G N 0.465 109.151 108.800 -0.191 0.000 2.525 664 G HA2 0.532 4.492 3.960 -0.000 0.000 0.287 664 G HA3 0.532 4.492 3.960 -0.000 0.000 0.287 664 G C 0.424 175.246 174.900 -0.131 0.000 1.350 664 G CA -0.290 44.746 45.100 -0.106 0.000 1.039 664 G HN 0.975 nan 8.290 nan 0.000 0.513 665 G N -1.863 106.877 108.800 -0.100 0.000 2.760 665 G HA2 0.382 4.342 3.960 -0.000 0.000 0.246 665 G HA3 0.382 4.342 3.960 -0.000 0.000 0.246 665 G C 0.307 175.144 174.900 -0.105 0.000 1.359 665 G CA 0.058 45.102 45.100 -0.094 0.000 0.861 665 G HN 1.984 nan 8.290 nan 0.000 0.541 666 A N -0.007 122.759 122.820 -0.089 0.000 2.366 666 A HA 0.606 4.925 4.320 -0.000 0.000 0.249 666 A C 0.803 178.328 177.584 -0.098 0.000 1.084 666 A CA 0.149 52.131 52.037 -0.092 0.000 0.794 666 A CB 0.121 19.082 19.000 -0.065 0.000 1.034 666 A HN 0.999 nan 8.150 nan 0.000 0.491 667 N N 0.757 119.400 118.700 -0.095 0.000 2.395 667 N HA 0.081 4.820 4.740 -0.000 0.000 0.246 667 N C 0.057 175.500 175.510 -0.111 0.000 1.246 667 N CA 0.466 53.481 53.050 -0.058 0.000 0.879 667 N CB 0.286 38.792 38.487 0.031 0.000 1.098 667 N HN 0.551 nan 8.380 nan 0.000 0.444 668 R N 0.092 120.418 120.500 -0.291 0.000 2.500 668 R HA 0.382 4.721 4.340 -0.000 0.000 0.275 668 R C 0.221 176.304 176.300 -0.361 0.000 1.051 668 R CA -0.398 55.408 56.100 -0.489 0.000 1.088 668 R CB 0.629 30.258 30.300 -1.119 0.000 1.063 668 R HN 0.595 nan 8.270 nan 0.000 0.511 669 T N -1.155 113.384 114.554 -0.026 0.000 2.908 669 T HA 0.678 5.028 4.350 -0.000 0.000 0.290 669 T C -0.911 174.124 174.700 0.558 0.000 1.034 669 T CA -0.766 61.481 62.100 0.245 0.000 1.010 669 T CB 1.484 70.447 68.868 0.159 0.000 1.068 669 T HN 0.453 nan 8.240 nan 0.000 0.481 670 F N 0.633 120.830 119.950 0.413 0.000 2.622 670 F HA 0.510 5.037 4.527 -0.000 0.000 0.318 670 F C -1.090 174.827 175.800 0.196 0.000 1.135 670 F CA -0.584 57.614 58.000 0.331 0.000 1.015 670 F CB 1.923 41.171 39.000 0.413 0.000 1.275 670 F HN 0.725 nan 8.300 nan 0.000 0.457 671 T N 4.129 118.225 114.554 -0.763 0.000 2.733 671 T HA 0.392 4.742 4.350 -0.000 0.000 0.294 671 T C 0.026 174.200 174.700 -0.877 0.000 0.956 671 T CA -0.354 61.406 62.100 -0.567 0.000 0.987 671 T CB 0.448 69.125 68.868 -0.317 0.000 0.920 671 T HN 0.709 nan 8.240 nan 0.000 0.470 672 T N 3.200 117.505 114.554 -0.415 0.000 2.913 672 T HA 0.364 4.714 4.350 -0.000 0.000 0.297 672 T C -2.200 172.436 174.700 -0.106 0.000 1.029 672 T CA -1.674 60.322 62.100 -0.173 0.000 1.104 672 T CB 0.418 69.318 68.868 0.053 0.000 0.964 672 T HN 0.257 nan 8.240 nan 0.000 0.532 673 P HA 0.085 nan 4.420 nan 0.000 0.271 673 P C 1.045 178.355 177.300 0.016 0.000 1.233 673 P CA -0.267 62.838 63.100 0.009 0.000 0.789 673 P CB 0.480 32.215 31.700 0.058 0.000 0.951 674 T N -2.761 111.802 114.554 0.014 0.000 3.043 674 T HA 0.085 4.435 4.350 -0.000 0.000 0.263 674 T C 0.909 175.624 174.700 0.025 0.000 1.094 674 T CA 0.550 62.659 62.100 0.015 0.000 1.127 674 T CB -0.411 68.462 68.868 0.009 0.000 0.905 674 T HN 0.700 nan 8.240 nan 0.000 0.490 675 S N -1.131 114.591 115.700 0.037 0.000 2.615 675 S HA 0.679 5.149 4.470 -0.000 0.000 0.269 675 S C 0.194 174.836 174.600 0.069 0.000 1.161 675 S CA -0.412 57.817 58.200 0.049 0.000 0.817 675 S CB 1.301 64.524 63.200 0.038 0.000 1.131 675 S HN 1.395 nan 8.310 nan 0.000 0.467 676 G N 0.614 109.469 108.800 0.092 0.000 2.642 676 G HA2 0.224 4.183 3.960 -0.000 0.000 0.231 676 G HA3 0.224 4.183 3.960 -0.000 0.000 0.231 676 G C -0.059 174.919 174.900 0.129 0.000 1.338 676 G CA 0.423 45.589 45.100 0.110 0.000 0.883 676 G HN 2.299 nan 8.290 nan 0.000 0.570 677 T N -2.549 112.082 114.554 0.127 0.000 2.888 677 T HA 1.031 5.381 4.350 -0.000 0.000 0.288 677 T C -0.032 174.737 174.700 0.115 0.000 1.063 677 T CA 0.445 62.628 62.100 0.138 0.000 1.010 677 T CB 1.863 70.825 68.868 0.158 0.000 1.214 677 T HN 2.615 nan 8.240 nan 0.000 0.533 678 A N 0.275 123.153 122.820 0.097 0.000 2.606 678 A HA 0.755 5.074 4.320 -0.000 0.000 0.293 678 A C -0.585 176.977 177.584 -0.038 0.000 1.082 678 A CA -0.899 51.191 52.037 0.088 0.000 0.685 678 A CB 1.509 20.650 19.000 0.234 0.000 1.284 678 A HN 0.887 nan 8.150 nan 0.000 0.408 679 T N 0.951 115.464 114.554 -0.069 0.000 2.807 679 T HA 0.560 4.910 4.350 -0.000 0.000 0.279 679 T C -0.853 173.672 174.700 -0.292 0.000 0.993 679 T CA -0.338 61.671 62.100 -0.152 0.000 0.970 679 T CB 1.393 70.248 68.868 -0.022 0.000 0.950 679 T HN 0.591 nan 8.240 nan 0.000 0.441 680 V N 4.568 124.210 119.914 -0.453 0.000 2.347 680 V HA 0.447 4.567 4.120 -0.000 0.000 0.280 680 V C -0.058 175.955 176.094 -0.134 0.000 1.021 680 V CA -0.861 61.175 62.300 -0.440 0.000 0.847 680 V CB 1.201 32.623 31.823 -0.668 0.000 0.990 680 V HN 0.756 nan 8.190 nan 0.000 0.444 681 N N 4.734 123.400 118.700 -0.055 0.000 2.518 681 N HA 0.566 5.306 4.740 -0.000 0.000 0.254 681 N C -0.729 174.792 175.510 0.017 0.000 0.979 681 N CA -0.095 52.933 53.050 -0.037 0.000 0.930 681 N CB 2.011 40.473 38.487 -0.041 0.000 1.152 681 N HN 0.544 nan 8.380 nan 0.000 0.505 682 V N 1.083 121.012 119.914 0.026 0.000 3.145 682 V HA 0.738 4.858 4.120 -0.000 0.000 0.311 682 V C -0.613 175.479 176.094 -0.004 0.000 1.238 682 V CA -0.990 61.341 62.300 0.052 0.000 1.066 682 V CB 2.146 34.066 31.823 0.161 0.000 1.144 682 V HN 0.477 nan 8.190 nan 0.000 0.465 683 N N 0.418 119.128 118.700 0.016 0.000 2.249 683 N HA 0.234 4.974 4.740 -0.000 0.000 0.296 683 N C -1.152 174.397 175.510 0.064 0.000 1.051 683 N CA -0.262 52.809 53.050 0.036 0.000 0.815 683 N CB 2.322 40.836 38.487 0.045 0.000 1.487 683 N HN 1.042 nan 8.380 nan 0.000 0.475 684 W N 2.742 123.998 121.300 -0.073 0.000 2.385 684 W HA -0.023 4.637 4.660 -0.000 0.000 0.336 684 W C -0.572 175.950 176.519 0.006 0.000 1.351 684 W CA 0.479 57.799 57.345 -0.041 0.000 1.295 684 W CB 0.325 29.752 29.460 -0.055 0.000 1.239 684 W HN 0.419 nan 8.180 nan 0.000 0.565 685 Q N 8.649 128.142 119.800 -0.512 0.000 2.349 685 Q HA 0.186 4.526 4.340 -0.000 0.000 0.254 685 Q C -1.675 174.033 176.000 -0.486 0.000 0.980 685 Q CA -1.667 53.928 55.803 -0.348 0.000 0.924 685 Q CB 1.198 29.771 28.738 -0.276 0.000 1.209 685 Q HN 0.231 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 63.157 63.100 0.096 0.000 0.800 686 P CB 0.000 31.816 31.700 0.193 0.000 0.726