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 1v3j_1_B 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 LDLRFAQKAR 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 -0.032 0.000 1.274 1 A CA 0.000 52.017 52.037 -0.033 0.000 0.836 1 A CB 0.000 18.969 19.000 -0.052 0.000 0.831 2 P HA 0.226 nan 4.420 nan 0.000 0.276 2 P C 0.022 177.295 177.300 -0.045 0.000 1.252 2 P CA 0.259 63.340 63.100 -0.032 0.000 0.802 2 P CB 0.686 32.366 31.700 -0.032 0.000 1.035 3 D N 0.731 121.113 120.400 -0.030 0.000 2.149 3 D HA -0.203 4.445 4.640 0.014 0.000 0.194 3 D C 1.185 177.446 176.300 -0.066 0.000 1.001 3 D CA 2.478 56.464 54.000 -0.023 0.000 0.849 3 D CB -1.695 39.135 40.800 0.050 0.000 0.939 3 D HN 0.465 nan 8.370 nan 0.000 0.449 4 T N -2.457 112.051 114.554 -0.076 0.000 3.113 4 T HA 0.007 4.365 4.350 0.014 0.000 0.263 4 T C 1.131 175.751 174.700 -0.134 0.000 1.143 4 T CA 0.221 62.251 62.100 -0.117 0.000 1.090 4 T CB -0.343 68.466 68.868 -0.100 0.000 0.922 4 T HN 0.185 nan 8.240 nan 0.000 0.521 5 S N 0.385 116.012 115.700 -0.121 0.000 2.568 5 S HA 0.126 4.605 4.470 0.014 0.000 0.282 5 S C 1.426 175.923 174.600 -0.172 0.000 1.338 5 S CA -0.313 57.811 58.200 -0.126 0.000 1.045 5 S CB 1.077 64.213 63.200 -0.107 0.000 0.873 5 S HN 0.239 nan 8.310 nan 0.000 0.516 6 V N 4.499 124.312 119.914 -0.170 0.000 2.867 6 V HA -0.078 4.051 4.120 0.014 0.000 0.260 6 V C 2.176 178.117 176.094 -0.256 0.000 1.099 6 V CA 2.461 64.635 62.300 -0.211 0.000 1.122 6 V CB -0.783 30.941 31.823 -0.165 0.000 0.708 6 V HN 1.024 nan 8.190 nan 0.000 0.490 7 S N -0.022 115.552 115.700 -0.210 0.000 2.561 7 S HA -0.002 4.477 4.470 0.014 0.000 0.225 7 S C 1.110 175.617 174.600 -0.155 0.000 0.977 7 S CA 0.407 58.490 58.200 -0.194 0.000 0.926 7 S CB -0.677 62.437 63.200 -0.144 0.000 0.769 7 S HN 0.625 nan 8.310 nan 0.000 0.533 8 N N 2.435 121.032 118.700 -0.171 0.000 2.466 8 N HA 0.168 4.917 4.740 0.014 0.000 0.263 8 N C 0.355 175.777 175.510 -0.146 0.000 1.178 8 N CA 0.027 52.992 53.050 -0.142 0.000 0.983 8 N CB 0.363 38.755 38.487 -0.159 0.000 1.331 8 N HN 0.432 nan 8.380 nan 0.000 0.500 9 K N 1.837 122.221 120.400 -0.028 0.000 2.400 9 K HA 0.011 4.340 4.320 0.014 0.000 0.194 9 K C 0.964 177.737 176.600 0.288 0.000 1.033 9 K CA 0.498 56.868 56.287 0.139 0.000 1.021 9 K CB 0.481 33.064 32.500 0.138 0.000 0.808 9 K HN 0.395 nan 8.250 nan 0.000 0.505 10 Q N 0.571 120.466 119.800 0.158 0.000 2.212 10 Q HA 0.049 4.398 4.340 0.014 0.000 0.199 10 Q C -0.309 175.828 176.000 0.228 0.000 0.950 10 Q CA 0.929 56.848 55.803 0.193 0.000 0.863 10 Q CB 0.330 29.128 28.738 0.099 0.000 0.944 10 Q HN 0.255 nan 8.270 nan 0.000 0.465 11 N N -1.098 117.670 118.700 0.115 0.000 2.260 11 N HA 0.351 5.100 4.740 0.014 0.000 0.293 11 N C -1.232 174.214 175.510 -0.106 0.000 1.058 11 N CA -0.372 52.678 53.050 -0.000 0.000 0.824 11 N CB 1.225 39.709 38.487 -0.004 0.000 1.551 11 N HN -0.102 nan 8.380 nan 0.000 0.475 12 F N 0.365 119.915 119.950 -0.666 0.000 2.683 12 F HA 0.262 4.797 4.527 0.013 0.000 0.306 12 F C 1.546 177.063 175.800 -0.473 0.000 1.102 12 F CA -0.236 57.389 58.000 -0.625 0.000 1.244 12 F CB 0.423 38.825 39.000 -0.996 0.000 1.029 12 F HN 0.431 nan 8.300 nan 0.000 0.545 13 S N -0.625 114.931 115.700 -0.240 0.000 2.419 13 S HA -0.204 4.275 4.470 0.014 0.000 0.235 13 S C 2.183 176.564 174.600 -0.366 0.000 1.019 13 S CA 1.931 59.959 58.200 -0.285 0.000 0.982 13 S CB -0.655 62.370 63.200 -0.291 0.000 0.789 13 S HN 0.554 nan 8.310 nan 0.000 0.490 14 T N -0.541 113.794 114.554 -0.366 0.000 3.148 14 T HA 0.096 4.455 4.350 0.014 0.000 0.253 14 T C 0.109 174.661 174.700 -0.247 0.000 1.134 14 T CA -0.033 61.860 62.100 -0.345 0.000 1.051 14 T CB -0.113 68.568 68.868 -0.311 0.000 0.959 14 T HN 0.096 nan 8.240 nan 0.000 0.525 15 D N 0.934 121.203 120.400 -0.218 0.000 2.277 15 D HA 0.494 5.142 4.640 0.014 0.000 0.250 15 D C -0.834 175.426 176.300 -0.068 0.000 1.032 15 D CA -0.437 53.475 54.000 -0.145 0.000 0.947 15 D CB 2.421 43.132 40.800 -0.149 0.000 1.159 15 D HN 0.019 nan 8.370 nan 0.000 0.460 16 V N 2.551 122.454 119.914 -0.019 0.000 2.376 16 V HA 0.302 4.430 4.120 0.014 0.000 0.287 16 V C 0.301 176.467 176.094 0.121 0.000 1.015 16 V CA -0.664 61.653 62.300 0.028 0.000 0.834 16 V CB 1.289 33.109 31.823 -0.004 0.000 1.001 16 V HN 0.359 nan 8.190 nan 0.000 0.428 17 I N 4.655 125.340 120.570 0.192 0.000 2.519 17 I HA 0.309 4.488 4.170 0.014 0.000 0.287 17 I C -0.710 175.625 176.117 0.363 0.000 1.047 17 I CA -0.399 61.086 61.300 0.308 0.000 1.381 17 I CB 0.818 39.029 38.000 0.351 0.000 1.417 17 I HN 0.596 nan 8.210 nan 0.000 0.540 18 Y N 5.900 126.330 120.300 0.218 0.000 2.345 18 Y HA 0.249 4.804 4.550 0.009 0.000 0.331 18 Y C -0.041 175.979 175.900 0.200 0.000 0.959 18 Y CA -0.569 57.638 58.100 0.178 0.000 1.204 18 Y CB 1.010 39.526 38.460 0.093 0.000 1.135 18 Y HN 0.506 nan 8.280 nan 0.000 0.477 19 Q N 7.072 126.845 119.800 -0.046 0.000 2.294 19 Q HA 0.440 4.788 4.340 0.014 0.000 0.257 19 Q C -1.370 174.496 176.000 -0.223 0.000 0.955 19 Q CA -0.257 55.469 55.803 -0.129 0.000 0.936 19 Q CB 0.617 29.230 28.738 -0.209 0.000 1.188 19 Q HN 0.772 nan 8.270 nan 0.000 0.420 20 I N 3.954 124.365 120.570 -0.265 0.000 2.406 20 I HA 0.245 4.424 4.170 0.014 0.000 0.290 20 I C -0.809 175.096 176.117 -0.353 0.000 0.999 20 I CA -0.858 60.224 61.300 -0.363 0.000 1.124 20 I CB 1.199 38.956 38.000 -0.404 0.000 1.289 20 I HN 0.576 nan 8.210 nan 0.000 0.441 21 F N 4.871 124.439 119.950 -0.637 0.000 2.434 21 F HA 0.139 4.677 4.527 0.018 0.000 0.358 21 F C 1.745 177.312 175.800 -0.388 0.000 1.136 21 F CA 0.079 57.829 58.000 -0.416 0.000 1.157 21 F CB 0.821 39.652 39.000 -0.280 0.000 1.167 21 F HN 0.514 nan 8.300 nan 0.000 0.539 22 T N 1.244 115.583 114.554 -0.357 0.000 2.699 22 T HA -0.298 4.061 4.350 0.014 0.000 0.268 22 T C 1.686 176.332 174.700 -0.091 0.000 1.036 22 T CA 2.012 63.930 62.100 -0.302 0.000 1.147 22 T CB -0.220 68.208 68.868 -0.733 0.000 0.862 22 T HN 0.590 nan 8.240 nan 0.000 0.446 23 D N 0.320 120.738 120.400 0.030 0.000 2.264 23 D HA -0.069 4.579 4.640 0.014 0.000 0.208 23 D C 1.913 178.313 176.300 0.167 0.000 0.966 23 D CA 0.646 54.782 54.000 0.227 0.000 0.864 23 D CB 0.185 41.221 40.800 0.393 0.000 0.933 23 D HN 0.075 nan 8.370 nan 0.000 0.499 24 R N -0.768 119.795 120.500 0.105 0.000 2.432 24 R HA 0.133 4.482 4.340 0.014 0.000 0.260 24 R C 0.622 176.981 176.300 0.099 0.000 0.935 24 R CA -0.159 55.984 56.100 0.071 0.000 1.080 24 R CB -0.259 30.083 30.300 0.069 0.000 1.155 24 R HN 0.265 nan 8.270 nan 0.000 0.531 25 F N 0.284 120.191 119.950 -0.071 0.000 2.304 25 F HA 0.329 4.863 4.527 0.012 0.000 0.267 25 F C 0.246 176.185 175.800 0.231 0.000 1.062 25 F CA 0.168 58.210 58.000 0.070 0.000 1.112 25 F CB 0.305 39.329 39.000 0.041 0.000 1.118 25 F HN -0.224 nan 8.300 nan 0.000 0.575 26 S N -0.064 115.749 115.700 0.188 0.000 2.603 26 S HA 0.233 4.711 4.470 0.014 0.000 0.274 26 S C -1.865 172.801 174.600 0.110 0.000 1.168 26 S CA -0.761 57.479 58.200 0.068 0.000 0.963 26 S CB 0.842 63.957 63.200 -0.142 0.000 1.078 26 S HN 0.263 nan 8.310 nan 0.000 0.477 27 D N 3.489 123.947 120.400 0.098 0.000 2.435 27 D HA 0.387 5.036 4.640 0.014 0.000 0.230 27 D C 1.211 177.550 176.300 0.066 0.000 1.215 27 D CA 0.086 54.148 54.000 0.103 0.000 0.947 27 D CB 0.455 41.332 40.800 0.129 0.000 1.048 27 D HN 0.664 nan 8.370 nan 0.000 0.512 28 G N 3.259 112.099 108.800 0.066 0.000 2.683 28 G HA2 -0.119 3.850 3.960 0.014 0.000 0.213 28 G HA3 -0.119 3.850 3.960 0.014 0.000 0.213 28 G C 0.642 175.568 174.900 0.043 0.000 1.142 28 G CA -0.223 44.903 45.100 0.045 0.000 0.793 28 G HN 0.471 nan 8.290 nan 0.000 0.534 29 N N -0.338 118.390 118.700 0.047 0.000 2.549 29 N HA 0.366 5.115 4.740 0.014 0.000 0.281 29 N C -2.308 173.207 175.510 0.008 0.000 1.084 29 N CA -2.032 51.035 53.050 0.028 0.000 0.862 29 N CB 2.418 40.927 38.487 0.036 0.000 1.333 29 N HN -0.239 nan 8.380 nan 0.000 0.523 30 P HA 0.044 nan 4.420 nan 0.000 0.221 30 P C 0.824 178.068 177.300 -0.094 0.000 1.150 30 P CA 0.694 63.772 63.100 -0.036 0.000 0.800 30 P CB 0.320 32.012 31.700 -0.014 0.000 0.787 31 A N 0.930 123.709 122.820 -0.068 0.000 2.070 31 A HA -0.174 4.155 4.320 0.014 0.000 0.220 31 A C 1.746 179.266 177.584 -0.107 0.000 1.159 31 A CA 1.438 53.426 52.037 -0.081 0.000 0.656 31 A CB -1.392 17.580 19.000 -0.047 0.000 0.800 31 A HN 0.405 nan 8.150 nan 0.000 0.453 32 N N -0.896 117.741 118.700 -0.105 0.000 2.235 32 N HA 0.021 4.770 4.740 0.014 0.000 0.209 32 N C -0.503 174.886 175.510 -0.202 0.000 1.122 32 N CA -0.343 52.629 53.050 -0.129 0.000 0.845 32 N CB -0.118 38.316 38.487 -0.088 0.000 1.004 32 N HN 0.466 nan 8.380 nan 0.000 0.499 33 N N 2.311 120.850 118.700 -0.268 0.000 2.497 33 N HA 0.146 4.894 4.740 0.014 0.000 0.268 33 N C -2.350 172.856 175.510 -0.506 0.000 1.171 33 N CA -1.133 51.653 53.050 -0.440 0.000 0.948 33 N CB 0.719 38.723 38.487 -0.805 0.000 1.069 33 N HN 0.128 nan 8.380 nan 0.000 0.460 34 P HA -0.031 nan 4.420 nan 0.000 0.271 34 P C -0.426 176.695 177.300 -0.298 0.000 1.233 34 P CA 0.098 63.014 63.100 -0.308 0.000 0.795 34 P CB 0.517 32.036 31.700 -0.301 0.000 0.936 35 T N -2.822 111.658 114.554 -0.123 0.000 2.930 35 T HA 0.648 5.007 4.350 0.014 0.000 0.290 35 T C 0.612 175.348 174.700 0.060 0.000 1.052 35 T CA -0.108 61.947 62.100 -0.075 0.000 1.017 35 T CB 1.522 70.328 68.868 -0.102 0.000 1.137 35 T HN 0.736 nan 8.240 nan 0.000 0.511 36 G N 1.425 110.278 108.800 0.087 0.000 2.565 36 G HA2 -0.151 3.817 3.960 0.014 0.000 0.295 36 G HA3 -0.151 3.817 3.960 0.014 0.000 0.295 36 G C 1.263 176.239 174.900 0.127 0.000 1.165 36 G CA 0.965 46.119 45.100 0.090 0.000 0.977 36 G HN 1.806 nan 8.290 nan 0.000 0.546 37 A N -0.035 122.844 122.820 0.098 0.000 2.066 37 A HA 0.505 4.834 4.320 0.014 0.000 0.218 37 A C 2.699 180.364 177.584 0.136 0.000 1.157 37 A CA 2.536 54.632 52.037 0.099 0.000 0.670 37 A CB -0.605 18.439 19.000 0.074 0.000 0.804 37 A HN 2.163 nan 8.150 nan 0.000 0.453 38 A N -2.077 120.850 122.820 0.177 0.000 2.238 38 A HA 0.435 4.764 4.320 0.014 0.000 0.208 38 A C 0.274 178.068 177.584 0.350 0.000 1.177 38 A CA 0.187 52.375 52.037 0.252 0.000 0.804 38 A CB -0.289 18.861 19.000 0.250 0.000 0.823 38 A HN 0.485 nan 8.150 nan 0.000 0.482 39 F N -0.057 119.955 119.950 0.103 0.000 2.539 39 F HA 0.561 5.098 4.527 0.017 0.000 0.318 39 F C -1.536 174.298 175.800 0.057 0.000 1.135 39 F CA -1.707 56.349 58.000 0.093 0.000 0.915 39 F CB 1.785 40.812 39.000 0.045 0.000 1.176 39 F HN -0.007 nan 8.300 nan 0.000 0.440 40 D N 3.624 123.611 120.400 -0.688 0.000 2.421 40 D HA 0.305 4.954 4.640 0.014 0.000 0.254 40 D C 0.893 176.648 176.300 -0.909 0.000 1.238 40 D CA -0.151 53.481 54.000 -0.612 0.000 0.919 40 D CB 1.476 42.105 40.800 -0.286 0.000 1.152 40 D HN 0.699 nan 8.370 nan 0.000 0.552 41 G N 1.750 109.947 108.800 -1.005 0.000 2.471 41 G HA2 -0.202 3.766 3.960 0.014 0.000 0.219 41 G HA3 -0.202 3.766 3.960 0.014 0.000 0.219 41 G C 1.294 176.055 174.900 -0.230 0.000 1.125 41 G CA 1.014 45.778 45.100 -0.561 0.000 0.775 41 G HN 0.521 nan 8.290 nan 0.000 0.548 42 S N -1.533 114.052 115.700 -0.192 0.000 2.527 42 S HA -0.003 4.476 4.470 0.014 0.000 0.222 42 S C 1.345 175.870 174.600 -0.125 0.000 0.985 42 S CA 0.549 58.682 58.200 -0.112 0.000 0.921 42 S CB -0.589 62.563 63.200 -0.080 0.000 0.772 42 S HN 0.777 nan 8.310 nan 0.000 0.529 43 c N 1.734 120.224 118.600 -0.183 0.000 4.268 43 c HA -0.187 4.391 4.570 0.014 0.000 0.299 43 c C 1.547 175.563 174.090 -0.122 0.000 1.429 43 c CA 1.022 57.253 56.329 -0.164 0.000 2.018 43 c CB -2.880 39.557 42.510 -0.121 0.000 1.277 43 c HN 0.781 nan 8.230 nan 0.000 0.767 44 T N -0.470 114.015 114.554 -0.114 0.000 2.978 44 T HA -0.029 4.329 4.350 0.014 0.000 0.262 44 T C 0.722 175.372 174.700 -0.084 0.000 1.063 44 T CA 1.349 63.400 62.100 -0.082 0.000 1.140 44 T CB -0.155 68.673 68.868 -0.066 0.000 0.886 44 T HN 0.726 nan 8.240 nan 0.000 0.470 45 N N 1.621 120.258 118.700 -0.104 0.000 2.469 45 N HA 0.221 4.969 4.740 0.014 0.000 0.253 45 N C 0.334 175.752 175.510 -0.153 0.000 0.970 45 N CA -0.327 52.666 53.050 -0.095 0.000 0.940 45 N CB 0.667 39.111 38.487 -0.071 0.000 1.128 45 N HN 0.171 nan 8.380 nan 0.000 0.503 46 L N 2.739 123.872 121.223 -0.150 0.000 2.650 46 L HA 0.130 4.479 4.340 0.014 0.000 0.235 46 L C 1.541 178.191 176.870 -0.367 0.000 1.149 46 L CA 0.392 55.090 54.840 -0.237 0.000 0.887 46 L CB 0.016 41.989 42.059 -0.143 0.000 1.021 46 L HN 0.396 nan 8.230 nan 0.000 0.441 47 R N -0.934 119.427 120.500 -0.232 0.000 2.397 47 R HA 0.312 4.661 4.340 0.014 0.000 0.241 47 R C 0.192 176.420 176.300 -0.119 0.000 0.914 47 R CA -0.114 55.914 56.100 -0.119 0.000 1.071 47 R CB 0.634 30.983 30.300 0.082 0.000 1.116 47 R HN 0.209 nan 8.270 nan 0.000 0.524 48 L N -0.255 120.842 121.223 -0.211 0.000 2.365 48 L HA 0.379 4.727 4.340 0.014 0.000 0.267 48 L C -0.359 176.402 176.870 -0.181 0.000 1.033 48 L CA -1.179 53.601 54.840 -0.100 0.000 0.802 48 L CB 0.614 42.642 42.059 -0.052 0.000 1.267 48 L HN -0.072 nan 8.230 nan 0.000 0.457 49 Y N -0.622 119.671 120.300 -0.011 0.000 2.465 49 Y HA -0.008 4.551 4.550 0.014 0.000 0.331 49 Y C 0.906 176.747 175.900 -0.099 0.000 1.102 49 Y CA -0.049 58.087 58.100 0.059 0.000 1.358 49 Y CB 0.804 39.402 38.460 0.231 0.000 1.213 49 Y HN 0.533 nan 8.280 nan 0.000 0.525 50 c N 1.148 119.784 118.600 0.061 0.000 2.780 50 c HA 0.302 4.881 4.570 0.014 0.000 0.267 50 c C 1.806 175.974 174.090 0.129 0.000 1.266 50 c CA 0.618 56.885 56.329 -0.103 0.000 1.709 50 c CB -0.680 41.783 42.510 -0.079 0.000 1.975 50 c HN 1.224 nan 8.230 nan 0.000 0.582 51 G N 0.077 109.121 108.800 0.406 0.000 2.284 51 G HA2 -0.043 3.926 3.960 0.014 0.000 0.201 51 G HA3 -0.043 3.926 3.960 0.014 0.000 0.201 51 G C 0.412 175.465 174.900 0.256 0.000 0.998 51 G CA -0.135 45.225 45.100 0.434 0.000 0.651 51 G HN 0.751 nan 8.290 nan 0.000 0.489 52 G N 0.938 109.875 108.800 0.228 0.000 2.432 52 G HA2 0.536 4.504 3.960 0.014 0.000 0.239 52 G HA3 0.536 4.504 3.960 0.014 0.000 0.239 52 G C -0.033 174.960 174.900 0.154 0.000 1.291 52 G CA 1.177 46.386 45.100 0.181 0.000 0.863 52 G HN 1.028 nan 8.290 nan 0.000 0.560 53 D N -0.372 120.097 120.400 0.116 0.000 2.825 53 D HA 0.208 4.856 4.640 0.014 0.000 0.327 53 D C 0.430 176.809 176.300 0.132 0.000 1.277 53 D CA -0.868 53.151 54.000 0.032 0.000 0.950 53 D CB 0.190 41.016 40.800 0.045 0.000 1.438 53 D HN 0.303 nan 8.370 nan 0.000 0.526 54 W N -0.451 120.920 121.300 0.119 0.000 2.418 54 W HA 0.005 4.672 4.660 0.013 0.000 0.292 54 W C 2.101 178.667 176.519 0.078 0.000 1.213 54 W CA 0.927 58.328 57.345 0.092 0.000 1.283 54 W CB -0.927 28.618 29.460 0.143 0.000 1.119 54 W HN 0.531 nan 8.180 nan 0.000 0.542 55 Q N 0.363 120.335 119.800 0.287 0.000 2.124 55 Q HA -0.080 4.269 4.340 0.014 0.000 0.202 55 Q C 2.339 178.418 176.000 0.131 0.000 0.977 55 Q CA 2.342 58.249 55.803 0.173 0.000 0.850 55 Q CB -0.982 27.833 28.738 0.128 0.000 0.901 55 Q HN 0.162 nan 8.270 nan 0.000 0.429 56 G N -0.025 108.861 108.800 0.144 0.000 2.422 56 G HA2 -0.145 3.824 3.960 0.014 0.000 0.218 56 G HA3 -0.145 3.824 3.960 0.014 0.000 0.218 56 G C 1.379 176.382 174.900 0.173 0.000 1.140 56 G CA 0.783 45.947 45.100 0.106 0.000 0.775 56 G HN 0.421 nan 8.290 nan 0.000 0.545 57 I N 0.292 121.030 120.570 0.281 0.000 2.286 57 I HA -0.034 4.145 4.170 0.014 0.000 0.245 57 I C 2.555 178.770 176.117 0.163 0.000 1.104 57 I CA 0.513 62.007 61.300 0.324 0.000 1.397 57 I CB -0.168 37.976 38.000 0.241 0.000 1.072 57 I HN 0.110 nan 8.210 nan 0.000 0.417 58 I N 1.244 121.878 120.570 0.106 0.000 2.208 58 I HA -0.316 3.863 4.170 0.014 0.000 0.245 58 I C 2.152 178.270 176.117 0.001 0.000 1.097 58 I CA 1.401 62.722 61.300 0.034 0.000 1.363 58 I CB -0.527 37.500 38.000 0.046 0.000 1.051 58 I HN 0.305 nan 8.210 nan 0.000 0.413 59 N N 0.774 119.477 118.700 0.006 0.000 2.223 59 N HA -0.144 4.605 4.740 0.014 0.000 0.185 59 N C 1.646 177.109 175.510 -0.079 0.000 1.016 59 N CA 1.055 54.078 53.050 -0.047 0.000 0.863 59 N CB -0.205 38.239 38.487 -0.072 0.000 0.983 59 N HN 0.284 nan 8.380 nan 0.000 0.429 60 K N 0.506 120.882 120.400 -0.040 0.000 2.365 60 K HA 0.171 4.500 4.320 0.014 0.000 0.197 60 K C 1.913 178.544 176.600 0.051 0.000 1.042 60 K CA 0.089 56.369 56.287 -0.011 0.000 0.987 60 K CB 0.173 32.741 32.500 0.114 0.000 0.779 60 K HN 0.280 nan 8.250 nan 0.000 0.484 61 I N 1.279 121.837 120.570 -0.020 0.000 2.277 61 I HA -0.205 3.973 4.170 0.014 0.000 0.243 61 I C 1.616 177.567 176.117 -0.276 0.000 1.094 61 I CA 0.753 61.963 61.300 -0.150 0.000 1.393 61 I CB -0.172 37.706 38.000 -0.204 0.000 1.078 61 I HN 0.069 nan 8.210 nan 0.000 0.417 62 N N 1.210 119.769 118.700 -0.236 0.000 2.289 62 N HA -0.170 4.578 4.740 0.014 0.000 0.184 62 N C 1.076 176.544 175.510 -0.069 0.000 1.016 62 N CA 1.536 54.486 53.050 -0.167 0.000 0.872 62 N CB -0.416 38.027 38.487 -0.073 0.000 0.973 62 N HN 0.528 nan 8.380 nan 0.000 0.433 63 D N -1.632 118.736 120.400 -0.053 0.000 2.339 63 D HA 0.169 4.818 4.640 0.014 0.000 0.217 63 D C 1.154 177.462 176.300 0.014 0.000 1.050 63 D CA 0.478 54.464 54.000 -0.023 0.000 0.856 63 D CB -0.129 40.640 40.800 -0.052 0.000 0.922 63 D HN 0.183 nan 8.370 nan 0.000 0.518 64 G N -0.349 108.461 108.800 0.017 0.000 2.176 64 G HA2 -0.400 3.568 3.960 0.014 0.000 0.232 64 G HA3 -0.400 3.568 3.960 0.014 0.000 0.232 64 G C 0.592 175.541 174.900 0.083 0.000 0.986 64 G CA 0.242 45.367 45.100 0.042 0.000 0.643 64 G HN 0.341 nan 8.290 nan 0.000 0.522 65 Y N 0.919 121.229 120.300 0.018 0.000 2.133 65 Y HA 0.224 4.778 4.550 0.008 0.000 0.287 65 Y C 2.636 178.623 175.900 0.144 0.000 1.134 65 Y CA 2.311 60.479 58.100 0.114 0.000 1.133 65 Y CB -0.304 38.180 38.460 0.039 0.000 0.987 65 Y HN 0.261 nan 8.280 nan 0.000 0.502 66 L N -0.612 120.606 121.223 -0.009 0.000 2.072 66 L HA -0.160 4.189 4.340 0.014 0.000 0.205 66 L C 2.493 179.258 176.870 -0.174 0.000 1.079 66 L CA 1.784 56.521 54.840 -0.173 0.000 0.752 66 L CB -0.941 41.080 42.059 -0.064 0.000 0.906 66 L HN 0.358 nan 8.230 nan 0.000 0.436 67 T N -3.585 110.920 114.554 -0.081 0.000 2.951 67 T HA -0.048 4.311 4.350 0.014 0.000 0.268 67 T C 1.881 176.547 174.700 -0.057 0.000 1.073 67 T CA 0.798 62.867 62.100 -0.052 0.000 1.134 67 T CB -0.594 68.280 68.868 0.010 0.000 0.884 67 T HN 0.366 nan 8.240 nan 0.000 0.479 68 G N 0.748 109.530 108.800 -0.030 0.000 2.443 68 G HA2 -0.036 3.933 3.960 0.014 0.000 0.219 68 G HA3 -0.036 3.933 3.960 0.014 0.000 0.219 68 G C 1.460 176.319 174.900 -0.067 0.000 1.131 68 G CA 0.420 45.544 45.100 0.039 0.000 0.775 68 G HN 0.492 nan 8.290 nan 0.000 0.547 69 M N -0.081 119.307 119.600 -0.354 0.000 2.506 69 M HA 0.214 4.702 4.480 0.014 0.000 0.260 69 M C 1.742 177.825 176.300 -0.362 0.000 1.104 69 M CA 0.974 55.847 55.300 -0.711 0.000 1.112 69 M CB 0.392 32.443 32.600 -0.915 0.000 1.401 69 M HN 0.365 nan 8.290 nan 0.000 0.473 70 G N 1.180 109.850 108.800 -0.217 0.000 2.141 70 G HA2 -0.180 3.788 3.960 0.014 0.000 0.231 70 G HA3 -0.180 3.788 3.960 0.014 0.000 0.231 70 G C -0.026 174.802 174.900 -0.120 0.000 0.984 70 G CA -0.429 44.586 45.100 -0.141 0.000 0.660 70 G HN 0.339 nan 8.290 nan 0.000 0.525 71 I N 2.099 122.585 120.570 -0.139 0.000 2.556 71 I HA 0.282 4.461 4.170 0.014 0.000 0.284 71 I C 1.776 177.869 176.117 -0.040 0.000 1.114 71 I CA 1.385 62.637 61.300 -0.079 0.000 1.418 71 I CB 1.009 38.924 38.000 -0.143 0.000 1.394 71 I HN 0.357 nan 8.210 nan 0.000 0.552 72 T N 2.007 116.554 114.554 -0.012 0.000 3.043 72 T HA 0.627 4.986 4.350 0.014 0.000 0.272 72 T C 0.186 174.897 174.700 0.018 0.000 0.990 72 T CA -0.166 61.920 62.100 -0.024 0.000 0.897 72 T CB 0.351 69.170 68.868 -0.081 0.000 1.111 72 T HN 0.658 nan 8.240 nan 0.000 0.529 73 A N 1.604 124.491 122.820 0.112 0.000 2.574 73 A HA 0.792 5.121 4.320 0.014 0.000 0.297 73 A C -1.152 176.596 177.584 0.273 0.000 1.062 73 A CA -1.224 50.949 52.037 0.226 0.000 0.686 73 A CB 1.204 20.438 19.000 0.389 0.000 1.285 73 A HN 0.695 nan 8.150 nan 0.000 0.403 74 I N -2.112 118.630 120.570 0.287 0.000 2.608 74 I HA 0.838 5.017 4.170 0.014 0.000 0.295 74 I C -1.103 175.239 176.117 0.375 0.000 1.049 74 I CA -0.750 60.726 61.300 0.293 0.000 1.063 74 I CB 2.073 40.171 38.000 0.164 0.000 1.248 74 I HN 0.734 nan 8.210 nan 0.000 0.424 75 W N 8.410 129.798 121.300 0.147 0.000 2.475 75 W HA 0.770 5.440 4.660 0.018 0.000 0.320 75 W C -1.430 175.112 176.519 0.037 0.000 1.022 75 W CA -1.880 55.542 57.345 0.128 0.000 1.240 75 W CB 1.018 30.592 29.460 0.191 0.000 1.328 75 W HN 0.663 nan 8.180 nan 0.000 0.439 76 I N 2.285 123.012 120.570 0.262 0.000 2.910 76 I HA 0.652 4.830 4.170 0.014 0.000 0.310 76 I C 0.383 176.466 176.117 -0.056 0.000 1.043 76 I CA -1.037 60.259 61.300 -0.007 0.000 1.053 76 I CB 1.704 39.736 38.000 0.053 0.000 1.242 76 I HN 0.166 nan 8.210 nan 0.000 0.452 77 S N 1.804 117.330 115.700 -0.289 0.000 2.558 77 S HA -0.067 4.411 4.470 0.014 0.000 0.287 77 S C 0.035 174.588 174.600 -0.078 0.000 1.321 77 S CA -0.153 57.830 58.200 -0.362 0.000 1.048 77 S CB 0.165 63.040 63.200 -0.542 0.000 0.844 77 S HN 0.716 nan 8.310 nan 0.000 0.512 78 Q N 3.532 123.290 119.800 -0.070 0.000 2.308 78 Q HA -0.032 4.317 4.340 0.014 0.000 0.313 78 Q C -1.511 174.531 176.000 0.070 0.000 1.075 78 Q CA -0.840 54.960 55.803 -0.006 0.000 0.995 78 Q CB 0.586 29.308 28.738 -0.027 0.000 1.107 78 Q HN 0.344 nan 8.270 nan 0.000 0.380 79 P HA -0.020 nan 4.420 nan 0.000 0.251 79 P C 0.286 177.664 177.300 0.130 0.000 1.223 79 P CA 0.264 63.495 63.100 0.218 0.000 0.796 79 P CB 0.007 31.557 31.700 -0.249 0.000 1.068 80 V N -1.629 118.244 119.914 -0.069 0.000 3.003 80 V HA 0.272 4.401 4.120 0.014 0.000 0.305 80 V C 0.427 176.495 176.094 -0.044 0.000 1.078 80 V CA -1.004 61.327 62.300 0.053 0.000 1.083 80 V CB 0.336 32.160 31.823 0.002 0.000 1.039 80 V HN -0.040 nan 8.190 nan 0.000 0.481 81 E N 3.204 123.406 120.200 0.002 0.000 2.480 81 E HA 0.056 4.415 4.350 0.014 0.000 0.258 81 E C -0.071 176.392 176.600 -0.227 0.000 0.984 81 E CA 0.158 56.494 56.400 -0.106 0.000 0.930 81 E CB 0.194 29.884 29.700 -0.017 0.000 0.936 81 E HN 0.884 nan 8.360 nan 0.000 0.466 82 N N 3.133 121.622 118.700 -0.351 0.000 2.485 82 N HA 0.285 5.034 4.740 0.014 0.000 0.280 82 N C 0.074 175.312 175.510 -0.453 0.000 1.205 82 N CA -0.739 52.123 53.050 -0.314 0.000 0.959 82 N CB 0.915 39.232 38.487 -0.284 0.000 1.206 82 N HN 0.464 nan 8.380 nan 0.000 0.545 83 I N -0.723 119.722 120.570 -0.209 0.000 2.752 83 I HA -0.016 4.163 4.170 0.014 0.000 0.287 83 I C 0.051 176.012 176.117 -0.261 0.000 1.188 83 I CA -0.015 61.178 61.300 -0.178 0.000 1.427 83 I CB 0.207 38.203 38.000 -0.006 0.000 1.365 83 I HN 0.595 nan 8.210 nan 0.000 0.585 84 Y N 2.622 122.935 120.300 0.023 0.000 2.511 84 Y HA 0.127 4.686 4.550 0.014 0.000 0.279 84 Y C 1.548 177.473 175.900 0.042 0.000 1.157 84 Y CA -0.043 58.069 58.100 0.020 0.000 1.300 84 Y CB -0.260 38.181 38.460 -0.032 0.000 1.052 84 Y HN 0.587 nan 8.280 nan 0.000 0.529 85 S N 0.657 116.437 115.700 0.133 0.000 2.558 85 S HA 0.141 4.620 4.470 0.014 0.000 0.288 85 S C -0.015 174.640 174.600 0.091 0.000 1.318 85 S CA -0.381 57.852 58.200 0.055 0.000 1.056 85 S CB 0.811 63.963 63.200 -0.079 0.000 0.853 85 S HN -0.048 nan 8.310 nan 0.000 0.505 86 V N 5.095 125.051 119.914 0.070 0.000 2.350 86 V HA 0.350 4.479 4.120 0.014 0.000 0.276 86 V C 0.082 176.184 176.094 0.015 0.000 1.028 86 V CA -0.381 61.975 62.300 0.095 0.000 0.860 86 V CB 0.544 32.423 31.823 0.095 0.000 0.990 86 V HN 0.698 nan 8.190 nan 0.000 0.453 87 I N 4.677 125.245 120.570 -0.004 0.000 2.359 87 I HA 0.344 4.522 4.170 0.014 0.000 0.294 87 I C 0.334 176.361 176.117 -0.149 0.000 0.987 87 I CA -0.270 60.922 61.300 -0.181 0.000 1.225 87 I CB 1.273 39.030 38.000 -0.404 0.000 1.366 87 I HN 0.550 nan 8.210 nan 0.000 0.466 88 N N 6.261 124.877 118.700 -0.139 0.000 2.439 88 N HA 0.192 4.941 4.740 0.014 0.000 0.249 88 N C -1.671 173.774 175.510 -0.107 0.000 1.003 88 N CA -0.277 52.739 53.050 -0.056 0.000 0.942 88 N CB 0.709 39.197 38.487 0.001 0.000 1.115 88 N HN 0.346 nan 8.380 nan 0.000 0.505 89 Y N 1.817 122.183 120.300 0.110 0.000 2.402 89 Y HA 0.166 4.724 4.550 0.014 0.000 0.332 89 Y C 0.712 176.640 175.900 0.046 0.000 0.960 89 Y CA -0.655 57.492 58.100 0.077 0.000 1.228 89 Y CB 0.988 39.500 38.460 0.087 0.000 1.120 89 Y HN 0.441 nan 8.280 nan 0.000 0.491 90 S N 3.086 118.892 115.700 0.176 0.000 3.315 90 S HA -0.167 4.311 4.470 0.014 0.000 0.294 90 S C 1.340 175.988 174.600 0.080 0.000 0.856 90 S CA 1.352 59.610 58.200 0.096 0.000 1.370 90 S CB -1.188 62.055 63.200 0.073 0.000 1.080 90 S HN 1.382 nan 8.310 nan 0.000 0.483 91 G N -0.102 108.739 108.800 0.069 0.000 2.454 91 G HA2 -0.295 3.674 3.960 0.014 0.000 0.225 91 G HA3 -0.295 3.674 3.960 0.014 0.000 0.225 91 G C 0.318 175.260 174.900 0.070 0.000 1.138 91 G CA 0.050 45.184 45.100 0.056 0.000 0.667 91 G HN 1.505 nan 8.290 nan 0.000 0.512 92 V N 2.503 122.478 119.914 0.101 0.000 2.465 92 V HA 0.643 4.771 4.120 0.014 0.000 0.279 92 V C -0.027 176.151 176.094 0.140 0.000 1.045 92 V CA -1.008 61.357 62.300 0.108 0.000 0.938 92 V CB 1.236 33.121 31.823 0.104 0.000 0.986 92 V HN 0.401 nan 8.190 nan 0.000 0.467 93 N N 5.546 124.311 118.700 0.109 0.000 2.530 93 N HA 0.353 5.102 4.740 0.014 0.000 0.273 93 N C -0.543 175.069 175.510 0.169 0.000 1.173 93 N CA 0.156 53.275 53.050 0.115 0.000 0.967 93 N CB 0.490 39.029 38.487 0.086 0.000 1.109 93 N HN 0.765 nan 8.380 nan 0.000 0.453 94 N N -0.192 118.641 118.700 0.222 0.000 2.242 94 N HA 0.408 5.157 4.740 0.014 0.000 0.292 94 N C -1.042 174.672 175.510 0.341 0.000 1.125 94 N CA -0.300 52.955 53.050 0.342 0.000 0.783 94 N CB 2.410 41.263 38.487 0.609 0.000 1.558 94 N HN 0.312 nan 8.380 nan 0.000 0.472 95 T N -0.178 114.532 114.554 0.259 0.000 2.883 95 T HA 0.470 4.829 4.350 0.014 0.000 0.296 95 T C -0.271 174.235 174.700 -0.323 0.000 1.117 95 T CA -0.303 61.887 62.100 0.151 0.000 1.006 95 T CB 1.442 70.389 68.868 0.132 0.000 1.191 95 T HN 0.481 nan 8.240 nan 0.000 0.508 96 A N 1.506 124.070 122.820 -0.427 0.000 2.426 96 A HA 0.209 4.538 4.320 0.014 0.000 0.247 96 A C 1.172 177.947 177.584 -1.350 0.000 1.389 96 A CA 0.103 51.504 52.037 -1.060 0.000 1.129 96 A CB -1.358 17.440 19.000 -0.337 0.000 0.928 96 A HN 0.888 nan 8.150 nan 0.000 0.557 97 Y N -0.510 118.930 120.300 -1.433 0.000 2.333 97 Y HA -0.252 4.307 4.550 0.015 0.000 0.290 97 Y C 1.813 177.335 175.900 -0.631 0.000 1.144 97 Y CA 1.535 58.831 58.100 -1.341 0.000 1.228 97 Y CB -1.005 36.866 38.460 -0.983 0.000 0.985 97 Y HN 0.641 nan 8.280 nan 0.000 0.542 98 H N -1.113 117.050 119.070 -1.512 0.000 2.555 98 H HA 0.332 4.896 4.556 0.013 0.000 0.269 98 H C 1.910 176.558 175.328 -1.134 0.000 0.988 98 H CA -0.194 55.084 56.048 -1.283 0.000 1.178 98 H CB -0.586 28.398 29.762 -1.296 0.000 1.373 98 H HN 0.432 nan 8.280 nan 0.000 0.588 99 G N -0.056 108.290 108.800 -0.756 0.000 2.148 99 G HA2 -0.371 3.598 3.960 0.014 0.000 0.254 99 G HA3 -0.371 3.598 3.960 0.014 0.000 0.254 99 G C 0.247 174.990 174.900 -0.262 0.000 0.981 99 G CA 0.606 45.459 45.100 -0.412 0.000 0.670 99 G HN 0.515 nan 8.290 nan 0.000 0.528 100 Y N -1.556 118.783 120.300 0.065 0.000 2.466 100 Y HA 0.395 4.954 4.550 0.013 0.000 0.272 100 Y C 0.809 176.912 175.900 0.340 0.000 1.169 100 Y CA -1.051 57.122 58.100 0.122 0.000 1.285 100 Y CB 0.292 38.763 38.460 0.018 0.000 1.078 100 Y HN 0.394 nan 8.280 nan 0.000 0.523 101 W N 1.282 122.696 121.300 0.189 0.000 2.149 101 W HA 0.705 5.375 4.660 0.017 0.000 0.291 101 W C -0.037 176.436 176.519 -0.076 0.000 0.875 101 W CA -2.168 55.238 57.345 0.101 0.000 1.885 101 W CB -0.292 29.216 29.460 0.080 0.000 2.062 101 W HN -0.174 nan 8.180 nan 0.000 0.391 102 A N 2.188 125.014 122.820 0.010 0.000 2.477 102 A HA 0.424 4.752 4.320 0.014 0.000 0.246 102 A C 1.355 178.852 177.584 -0.145 0.000 1.078 102 A CA 0.024 51.878 52.037 -0.306 0.000 0.770 102 A CB 0.565 18.924 19.000 -1.069 0.000 1.011 102 A HN 0.642 nan 8.150 nan 0.000 0.494 103 R N 0.614 121.059 120.500 -0.092 0.000 2.342 103 R HA 0.274 4.623 4.340 0.014 0.000 0.204 103 R C -0.741 175.690 176.300 0.219 0.000 0.882 103 R CA 0.103 56.275 56.100 0.120 0.000 1.041 103 R CB 0.555 30.948 30.300 0.155 0.000 1.188 103 R HN 0.513 nan 8.270 nan 0.000 0.598 104 D N 0.032 120.489 120.400 0.096 0.000 2.616 104 D HA 0.182 4.831 4.640 0.014 0.000 0.238 104 D C -0.710 175.749 176.300 0.265 0.000 1.354 104 D CA -0.695 53.475 54.000 0.284 0.000 0.970 104 D CB 1.097 42.047 40.800 0.249 0.000 1.369 104 D HN -0.004 nan 8.370 nan 0.000 0.585 105 F N 1.768 121.952 119.950 0.390 0.000 2.802 105 F HA 0.155 4.690 4.527 0.014 0.000 0.300 105 F C 2.022 178.115 175.800 0.488 0.000 1.168 105 F CA 0.498 58.716 58.000 0.363 0.000 1.433 105 F CB 0.412 39.564 39.000 0.252 0.000 1.115 105 F HN 0.103 nan 8.300 nan 0.000 0.582 106 K N -0.412 120.291 120.400 0.506 0.000 2.374 106 K HA 0.182 4.510 4.320 0.014 0.000 0.202 106 K C 0.252 176.985 176.600 0.222 0.000 1.040 106 K CA 0.107 56.571 56.287 0.294 0.000 1.085 106 K CB 0.722 33.350 32.500 0.213 0.000 0.873 106 K HN 0.124 nan 8.250 nan 0.000 0.539 107 K N 0.818 121.405 120.400 0.311 0.000 2.352 107 K HA 0.244 4.573 4.320 0.014 0.000 0.240 107 K C -0.160 176.649 176.600 0.349 0.000 1.017 107 K CA -0.637 55.791 56.287 0.235 0.000 0.851 107 K CB 1.899 34.498 32.500 0.165 0.000 1.261 107 K HN -0.046 nan 8.250 nan 0.000 0.451 108 T N -1.453 113.295 114.554 0.323 0.000 2.874 108 T HA 0.182 4.541 4.350 0.014 0.000 0.281 108 T C 0.160 174.949 174.700 0.148 0.000 0.994 108 T CA -0.833 61.510 62.100 0.406 0.000 1.015 108 T CB 0.776 69.972 68.868 0.547 0.000 1.028 108 T HN 0.440 nan 8.240 nan 0.000 0.523 109 N N 1.754 120.456 118.700 0.002 0.000 2.411 109 N HA 0.241 4.990 4.740 0.014 0.000 0.259 109 N C -1.919 173.411 175.510 -0.301 0.000 1.103 109 N CA -2.361 50.525 53.050 -0.273 0.000 0.954 109 N CB 1.174 39.295 38.487 -0.610 0.000 1.085 109 N HN 0.265 nan 8.380 nan 0.000 0.485 110 P HA -0.066 nan 4.420 nan 0.000 0.219 110 P C 0.708 177.877 177.300 -0.218 0.000 1.146 110 P CA 1.019 64.043 63.100 -0.125 0.000 0.808 110 P CB 0.201 31.878 31.700 -0.039 0.000 0.779 111 A N -1.743 120.863 122.820 -0.356 0.000 2.015 111 A HA -0.182 4.146 4.320 0.014 0.000 0.219 111 A C 1.728 179.195 177.584 -0.194 0.000 1.163 111 A CA 1.250 53.073 52.037 -0.357 0.000 0.646 111 A CB -1.450 17.159 19.000 -0.652 0.000 0.806 111 A HN 0.106 nan 8.150 nan 0.000 0.448 112 Y N -0.810 119.202 120.300 -0.479 0.000 2.301 112 Y HA 0.382 4.941 4.550 0.015 0.000 0.295 112 Y C 1.588 176.947 175.900 -0.902 0.000 1.119 112 Y CA 0.145 57.718 58.100 -0.878 0.000 1.162 112 Y CB -0.661 36.922 38.460 -1.463 0.000 1.046 112 Y HN 0.415 nan 8.280 nan 0.000 0.538 113 G N -1.089 107.406 108.800 -0.509 0.000 2.343 113 G HA2 0.307 4.276 3.960 0.014 0.000 0.289 113 G HA3 0.307 4.276 3.960 0.014 0.000 0.289 113 G C -0.758 174.263 174.900 0.202 0.000 1.295 113 G CA -0.479 44.623 45.100 0.004 0.000 0.869 113 G HN 0.170 nan 8.290 nan 0.000 0.522 114 T N -1.747 113.015 114.554 0.347 0.000 2.862 114 T HA 0.499 4.858 4.350 0.014 0.000 0.276 114 T C 1.687 176.669 174.700 0.472 0.000 0.974 114 T CA -0.250 62.041 62.100 0.318 0.000 0.966 114 T CB 1.117 70.104 68.868 0.198 0.000 1.072 114 T HN 0.352 nan 8.240 nan 0.000 0.538 115 M N 0.161 119.954 119.600 0.322 0.000 2.108 115 M HA -0.109 4.380 4.480 0.014 0.000 0.261 115 M C 2.376 178.837 176.300 0.268 0.000 1.066 115 M CA 1.610 57.075 55.300 0.276 0.000 1.107 115 M CB -1.390 31.290 32.600 0.133 0.000 1.356 115 M HN 0.718 nan 8.290 nan 0.000 0.406 116 Q N 0.309 120.235 119.800 0.210 0.000 2.124 116 Q HA -0.166 4.183 4.340 0.014 0.000 0.202 116 Q C 1.521 177.638 176.000 0.194 0.000 0.977 116 Q CA 1.369 57.270 55.803 0.164 0.000 0.850 116 Q CB -0.232 28.581 28.738 0.125 0.000 0.901 116 Q HN 0.513 nan 8.270 nan 0.000 0.429 117 D N -0.563 120.014 120.400 0.296 0.000 2.144 117 D HA -0.130 4.518 4.640 0.014 0.000 0.200 117 D C 1.687 178.150 176.300 0.271 0.000 0.978 117 D CA 0.571 54.776 54.000 0.341 0.000 0.833 117 D CB -0.353 40.768 40.800 0.534 0.000 0.961 117 D HN 0.191 nan 8.370 nan 0.000 0.470 118 F N 1.865 121.876 119.950 0.103 0.000 2.075 118 F HA -0.167 4.368 4.527 0.014 0.000 0.297 118 F C 2.296 177.992 175.800 -0.175 0.000 1.113 118 F CA 1.415 59.211 58.000 -0.340 0.000 1.218 118 F CB 0.169 38.982 39.000 -0.312 0.000 0.984 118 F HN -0.218 nan 8.300 nan 0.000 0.472 119 K N 0.046 120.470 120.400 0.040 0.000 2.026 119 K HA -0.190 4.139 4.320 0.014 0.000 0.208 119 K C 1.699 178.234 176.600 -0.108 0.000 1.048 119 K CA 1.608 57.872 56.287 -0.038 0.000 0.929 119 K CB -0.320 32.211 32.500 0.051 0.000 0.713 119 K HN 0.245 nan 8.250 nan 0.000 0.439 120 N N 1.197 119.871 118.700 -0.043 0.000 2.149 120 N HA -0.172 4.576 4.740 0.014 0.000 0.188 120 N C 1.670 177.115 175.510 -0.108 0.000 1.019 120 N CA 0.793 53.819 53.050 -0.039 0.000 0.857 120 N CB -0.329 38.173 38.487 0.025 0.000 0.997 120 N HN 0.062 nan 8.380 nan 0.000 0.426 121 L N 1.100 122.202 121.223 -0.201 0.000 1.994 121 L HA -0.075 4.273 4.340 0.014 0.000 0.208 121 L C 1.846 178.493 176.870 -0.371 0.000 1.071 121 L CA 1.400 56.070 54.840 -0.283 0.000 0.745 121 L CB -0.647 41.128 42.059 -0.473 0.000 0.892 121 L HN 0.015 nan 8.230 nan 0.000 0.431 122 I N 0.102 120.347 120.570 -0.541 0.000 2.118 122 I HA -0.313 3.866 4.170 0.014 0.000 0.241 122 I C 2.277 178.098 176.117 -0.494 0.000 1.070 122 I CA 1.597 62.529 61.300 -0.615 0.000 1.327 122 I CB -1.573 36.109 38.000 -0.530 0.000 1.034 122 I HN 0.341 nan 8.210 nan 0.000 0.405 123 D N 0.347 120.597 120.400 -0.249 0.000 2.117 123 D HA -0.122 4.527 4.640 0.014 0.000 0.197 123 D C 2.192 178.478 176.300 -0.024 0.000 0.987 123 D CA 1.579 55.521 54.000 -0.097 0.000 0.829 123 D CB -0.274 40.504 40.800 -0.037 0.000 0.961 123 D HN 0.295 nan 8.370 nan 0.000 0.460 124 T N 0.744 115.287 114.554 -0.018 0.000 2.821 124 T HA -0.071 4.288 4.350 0.014 0.000 0.267 124 T C 2.004 176.794 174.700 0.150 0.000 1.046 124 T CA 1.333 63.491 62.100 0.097 0.000 1.139 124 T CB -0.193 68.690 68.868 0.025 0.000 0.871 124 T HN 0.180 nan 8.240 nan 0.000 0.454 125 A N 1.341 124.158 122.820 -0.006 0.000 1.845 125 A HA -0.160 4.168 4.320 0.014 0.000 0.215 125 A C 1.966 179.640 177.584 0.150 0.000 1.195 125 A CA 1.641 53.692 52.037 0.024 0.000 0.616 125 A CB -1.065 17.881 19.000 -0.090 0.000 0.832 125 A HN 0.676 nan 8.150 nan 0.000 0.443 126 H N -0.863 118.215 119.070 0.014 0.000 2.387 126 H HA -0.038 4.526 4.556 0.014 0.000 0.299 126 H C 2.430 177.751 175.328 -0.012 0.000 1.090 126 H CA 0.618 56.662 56.048 -0.007 0.000 1.332 126 H CB 0.020 29.769 29.762 -0.021 0.000 1.386 126 H HN 0.568 nan 8.280 nan 0.000 0.516 127 A N 0.552 123.445 122.820 0.123 0.000 2.019 127 A HA -0.150 4.178 4.320 0.014 0.000 0.219 127 A C 1.306 178.793 177.584 -0.163 0.000 1.164 127 A CA 1.197 53.217 52.037 -0.028 0.000 0.644 127 A CB -0.192 18.770 19.000 -0.064 0.000 0.805 127 A HN 0.519 nan 8.150 nan 0.000 0.449 128 H N -0.432 118.648 119.070 0.018 0.000 2.487 128 H HA 0.118 4.683 4.556 0.015 0.000 0.290 128 H C -0.247 175.078 175.328 -0.004 0.000 1.081 128 H CA -0.140 55.910 56.048 0.003 0.000 1.116 128 H CB 0.024 29.788 29.762 0.003 0.000 1.560 128 H HN 0.471 nan 8.280 nan 0.000 0.548 129 N N 1.034 119.772 118.700 0.063 0.000 2.727 129 N HA -0.187 4.562 4.740 0.014 0.000 0.249 129 N C -0.462 175.059 175.510 0.020 0.000 1.048 129 N CA 0.684 53.742 53.050 0.013 0.000 0.714 129 N CB -1.396 37.073 38.487 -0.029 0.000 0.959 129 N HN 0.479 nan 8.380 nan 0.000 0.544 130 I N 0.627 121.246 120.570 0.081 0.000 2.406 130 I HA 0.208 4.386 4.170 0.014 0.000 0.290 130 I C 0.559 176.767 176.117 0.152 0.000 0.999 130 I CA -0.627 60.720 61.300 0.079 0.000 1.124 130 I CB 1.664 39.710 38.000 0.076 0.000 1.289 130 I HN -0.181 nan 8.210 nan 0.000 0.441 131 K N 4.519 124.982 120.400 0.105 0.000 2.154 131 K HA 0.585 4.914 4.320 0.014 0.000 0.264 131 K C -0.985 175.777 176.600 0.268 0.000 1.008 131 K CA -0.594 55.802 56.287 0.183 0.000 0.937 131 K CB 1.763 34.276 32.500 0.022 0.000 1.002 131 K HN 0.257 nan 8.250 nan 0.000 0.469 132 V N 4.032 124.125 119.914 0.297 0.000 2.483 132 V HA 0.365 4.494 4.120 0.014 0.000 0.297 132 V C -0.376 175.885 176.094 0.279 0.000 1.027 132 V CA -0.731 61.694 62.300 0.208 0.000 0.855 132 V CB 1.240 33.072 31.823 0.015 0.000 0.995 132 V HN 0.601 nan 8.190 nan 0.000 0.424 133 I N 5.972 126.717 120.570 0.291 0.000 2.412 133 I HA 0.568 4.747 4.170 0.014 0.000 0.296 133 I C -0.198 176.061 176.117 0.237 0.000 0.987 133 I CA -0.627 60.809 61.300 0.228 0.000 1.180 133 I CB 1.850 39.959 38.000 0.182 0.000 1.340 133 I HN 0.608 nan 8.210 nan 0.000 0.455 134 I N 1.137 121.807 120.570 0.167 0.000 2.562 134 I HA 0.556 4.735 4.170 0.014 0.000 0.301 134 I C -0.633 175.572 176.117 0.146 0.000 1.003 134 I CA -0.878 60.527 61.300 0.175 0.000 1.127 134 I CB 1.335 39.394 38.000 0.098 0.000 1.304 134 I HN 0.293 nan 8.210 nan 0.000 0.446 135 D N 3.486 124.011 120.400 0.208 0.000 2.372 135 D HA 0.339 4.988 4.640 0.014 0.000 0.243 135 D C -1.280 175.158 176.300 0.230 0.000 1.121 135 D CA 0.608 54.735 54.000 0.212 0.000 0.898 135 D CB 1.348 42.283 40.800 0.224 0.000 1.202 135 D HN 0.503 nan 8.370 nan 0.000 0.428 136 F N 0.230 120.214 119.950 0.056 0.000 2.561 136 F HA 0.493 5.028 4.527 0.014 0.000 0.313 136 F C -0.954 174.930 175.800 0.140 0.000 1.126 136 F CA -0.724 57.337 58.000 0.103 0.000 0.918 136 F CB 1.601 40.672 39.000 0.118 0.000 1.199 136 F HN 0.305 nan 8.300 nan 0.000 0.444 137 A N 6.820 129.574 122.820 -0.110 0.000 2.978 137 A HA 0.439 4.768 4.320 0.014 0.000 0.341 137 A C -2.479 174.993 177.584 -0.186 0.000 1.105 137 A CA -1.166 50.822 52.037 -0.082 0.000 0.819 137 A CB -0.147 18.849 19.000 -0.007 0.000 1.080 137 A HN 0.456 nan 8.150 nan 0.000 0.476 138 P HA -0.043 nan 4.420 nan 0.000 0.253 138 P C 0.660 177.880 177.300 -0.134 0.000 1.260 138 P CA 0.329 63.247 63.100 -0.304 0.000 0.800 138 P CB 0.069 31.630 31.700 -0.232 0.000 1.162 139 N N 0.504 119.106 118.700 -0.164 0.000 2.376 139 N HA -0.060 4.689 4.740 0.014 0.000 0.177 139 N C 0.318 175.850 175.510 0.037 0.000 1.024 139 N CA 0.499 53.548 53.050 -0.002 0.000 0.893 139 N CB 0.210 38.756 38.487 0.098 0.000 0.980 139 N HN 0.341 nan 8.380 nan 0.000 0.439 140 H N -2.999 116.146 119.070 0.126 0.000 2.981 140 H HA 0.160 4.724 4.556 0.014 0.000 0.327 140 H C -0.060 175.406 175.328 0.230 0.000 1.342 140 H CA -0.335 55.794 56.048 0.135 0.000 1.123 140 H CB 1.079 30.891 29.762 0.083 0.000 1.851 140 H HN -0.076 nan 8.280 nan 0.000 0.531 141 T N -0.563 114.225 114.554 0.389 0.000 3.523 141 T HA 0.290 4.649 4.350 0.014 0.000 0.216 141 T C 0.754 175.627 174.700 0.289 0.000 0.922 141 T CA 0.886 63.170 62.100 0.307 0.000 1.558 141 T CB -0.515 68.537 68.868 0.306 0.000 1.424 141 T HN 0.829 nan 8.240 nan 0.000 0.452 142 S N 0.559 116.304 115.700 0.075 0.000 2.656 142 S HA 0.619 5.098 4.470 0.014 0.000 0.273 142 S C -3.378 170.997 174.600 -0.374 0.000 1.168 142 S CA -1.613 56.497 58.200 -0.150 0.000 0.817 142 S CB 0.979 64.119 63.200 -0.101 0.000 1.146 142 S HN 0.197 nan 8.310 nan 0.000 0.475 143 P HA 0.356 nan 4.420 nan 0.000 0.258 143 P C -0.941 176.207 177.300 -0.254 0.000 1.172 143 P CA 0.671 63.534 63.100 -0.395 0.000 0.762 143 P CB 0.101 31.477 31.700 -0.540 0.000 0.764 144 A N 2.866 125.639 122.820 -0.079 0.000 2.556 144 A HA 0.747 5.076 4.320 0.014 0.000 0.294 144 A C -0.881 176.778 177.584 0.126 0.000 1.091 144 A CA -0.500 51.504 52.037 -0.056 0.000 0.704 144 A CB 1.772 20.527 19.000 -0.409 0.000 1.300 144 A HN 0.324 nan 8.150 nan 0.000 0.406 145 S N 0.007 115.868 115.700 0.268 0.000 2.736 145 S HA 0.441 4.920 4.470 0.014 0.000 0.285 145 S C 0.912 175.655 174.600 0.238 0.000 1.163 145 S CA 0.209 58.522 58.200 0.189 0.000 1.025 145 S CB 0.987 64.205 63.200 0.030 0.000 1.030 145 S HN 1.685 nan 8.310 nan 0.000 0.486 146 S N 3.128 119.017 115.700 0.315 0.000 2.419 146 S HA -0.092 4.386 4.470 0.014 0.000 0.233 146 S C 1.038 175.645 174.600 0.011 0.000 1.016 146 S CA 1.011 59.267 58.200 0.093 0.000 0.974 146 S CB -0.314 62.798 63.200 -0.145 0.000 0.786 146 S HN 0.757 nan 8.310 nan 0.000 0.492 147 D N 1.683 122.095 120.400 0.021 0.000 2.183 147 D HA 0.017 4.666 4.640 0.014 0.000 0.203 147 D C 0.095 176.394 176.300 -0.002 0.000 0.969 147 D CA 1.064 55.058 54.000 -0.010 0.000 0.842 147 D CB -0.181 40.608 40.800 -0.019 0.000 0.957 147 D HN 0.436 nan 8.370 nan 0.000 0.484 148 D N 0.055 120.470 120.400 0.024 0.000 2.458 148 D HA 0.106 4.755 4.640 0.014 0.000 0.258 148 D C -1.769 174.577 176.300 0.077 0.000 1.134 148 D CA -2.193 51.830 54.000 0.038 0.000 0.915 148 D CB 1.419 42.236 40.800 0.028 0.000 1.028 148 D HN -0.099 nan 8.370 nan 0.000 0.508 149 P HA -0.148 nan 4.420 nan 0.000 0.224 149 P C 0.683 178.009 177.300 0.042 0.000 1.142 149 P CA 0.710 63.831 63.100 0.036 0.000 0.778 149 P CB 0.357 32.061 31.700 0.007 0.000 0.764 150 S N -0.958 114.778 115.700 0.060 0.000 2.478 150 S HA 0.011 4.489 4.470 0.014 0.000 0.222 150 S C 0.657 175.302 174.600 0.074 0.000 1.008 150 S CA -0.409 57.822 58.200 0.051 0.000 0.928 150 S CB -0.818 62.410 63.200 0.046 0.000 0.781 150 S HN 0.186 nan 8.310 nan 0.000 0.518 151 F N 3.544 123.464 119.950 -0.051 0.000 2.578 151 F HA 0.370 4.906 4.527 0.014 0.000 0.381 151 F C 1.079 176.820 175.800 -0.098 0.000 1.069 151 F CA -0.063 57.889 58.000 -0.081 0.000 1.231 151 F CB -0.061 38.889 39.000 -0.085 0.000 1.086 151 F HN 0.382 nan 8.300 nan 0.000 0.564 152 A N 4.671 126.978 122.820 -0.856 0.000 5.483 152 A HA -0.363 3.966 4.320 0.014 0.000 0.309 152 A C 0.881 178.251 177.584 -0.357 0.000 1.898 152 A CA 1.468 53.043 52.037 -0.769 0.000 0.716 152 A CB -1.312 16.941 19.000 -1.244 0.000 1.309 152 A HN 0.844 nan 8.150 nan 0.000 0.380 153 E N 1.151 121.193 120.200 -0.263 0.000 2.585 153 E HA 0.240 4.598 4.350 0.014 0.000 0.206 153 E C 0.417 176.966 176.600 -0.085 0.000 1.007 153 E CA 0.358 56.702 56.400 -0.094 0.000 1.028 153 E CB -0.132 29.572 29.700 0.007 0.000 1.087 153 E HN 0.662 nan 8.360 nan 0.000 0.455 154 N N 0.798 119.416 118.700 -0.136 0.000 2.708 154 N HA -0.249 4.499 4.740 0.014 0.000 0.249 154 N C 0.676 176.111 175.510 -0.124 0.000 1.097 154 N CA 0.422 53.426 53.050 -0.077 0.000 0.710 154 N CB -0.811 37.663 38.487 -0.022 0.000 1.032 154 N HN 0.572 nan 8.380 nan 0.000 0.551 155 G N 0.095 108.793 108.800 -0.169 0.000 2.203 155 G HA2 -0.359 3.609 3.960 0.014 0.000 0.263 155 G HA3 -0.359 3.609 3.960 0.014 0.000 0.263 155 G C 0.189 175.060 174.900 -0.048 0.000 1.012 155 G CA 0.736 45.730 45.100 -0.178 0.000 0.749 155 G HN 0.647 nan 8.290 nan 0.000 0.512 156 R N -0.994 119.512 120.500 0.010 0.000 2.570 156 R HA 0.347 4.696 4.340 0.014 0.000 0.277 156 R C 0.162 176.521 176.300 0.097 0.000 1.039 156 R CA -0.262 55.858 56.100 0.034 0.000 1.065 156 R CB 0.493 30.781 30.300 -0.020 0.000 0.964 156 R HN 0.250 nan 8.270 nan 0.000 0.428 157 L N 4.318 125.554 121.223 0.021 0.000 2.322 157 L HA 0.373 4.721 4.340 0.014 0.000 0.281 157 L C -1.429 175.292 176.870 -0.249 0.000 1.014 157 L CA -0.404 54.450 54.840 0.024 0.000 0.815 157 L CB 0.984 43.051 42.059 0.012 0.000 1.247 157 L HN 0.422 nan 8.230 nan 0.000 0.421 158 Y N 2.097 122.431 120.300 0.056 0.000 2.528 158 Y HA 0.506 5.065 4.550 0.014 0.000 0.335 158 Y C -0.381 175.573 175.900 0.090 0.000 1.093 158 Y CA -0.704 57.431 58.100 0.059 0.000 1.134 158 Y CB 1.712 40.235 38.460 0.104 0.000 1.253 158 Y HN 0.531 nan 8.280 nan 0.000 0.478 159 D N 2.149 122.711 120.400 0.269 0.000 2.454 159 D HA 0.135 4.783 4.640 0.014 0.000 0.247 159 D C -0.425 176.068 176.300 0.322 0.000 1.129 159 D CA -0.337 53.881 54.000 0.364 0.000 0.877 159 D CB 0.087 41.013 40.800 0.211 0.000 1.082 159 D HN 0.566 nan 8.370 nan 0.000 0.537 160 N N 3.336 122.234 118.700 0.331 0.000 2.707 160 N HA -0.252 4.496 4.740 0.014 0.000 0.253 160 N C 1.009 176.624 175.510 0.176 0.000 0.998 160 N CA 1.682 54.861 53.050 0.216 0.000 0.751 160 N CB -0.922 37.663 38.487 0.162 0.000 0.920 160 N HN 0.915 nan 8.380 nan 0.000 0.539 161 G N -0.442 108.479 108.800 0.202 0.000 2.317 161 G HA2 -0.341 3.628 3.960 0.014 0.000 0.227 161 G HA3 -0.341 3.628 3.960 0.014 0.000 0.227 161 G C -0.064 175.017 174.900 0.302 0.000 1.042 161 G CA 0.356 45.548 45.100 0.153 0.000 0.623 161 G HN 0.757 nan 8.290 nan 0.000 0.509 162 N N 1.017 119.876 118.700 0.264 0.000 2.430 162 N HA 0.360 5.108 4.740 0.014 0.000 0.265 162 N C 0.139 175.758 175.510 0.182 0.000 1.100 162 N CA -0.553 52.621 53.050 0.207 0.000 0.961 162 N CB 0.717 39.275 38.487 0.120 0.000 1.075 162 N HN 0.330 nan 8.380 nan 0.000 0.478 163 L N 4.760 126.036 121.223 0.087 0.000 2.462 163 L HA 0.079 4.427 4.340 0.014 0.000 0.272 163 L C 0.755 177.507 176.870 -0.196 0.000 1.166 163 L CA 0.322 54.990 54.840 -0.287 0.000 0.880 163 L CB 0.631 42.514 42.059 -0.293 0.000 1.142 163 L HN 0.666 nan 8.230 nan 0.000 0.473 164 L N 4.443 125.508 121.223 -0.264 0.000 2.221 164 L HA 0.454 4.802 4.340 0.014 0.000 0.202 164 L C 1.043 177.827 176.870 -0.142 0.000 1.074 164 L CA 0.531 55.259 54.840 -0.188 0.000 0.795 164 L CB -0.378 41.528 42.059 -0.255 0.000 0.960 164 L HN 0.847 nan 8.230 nan 0.000 0.458 165 G N -1.379 107.345 108.800 -0.127 0.000 2.338 165 G HA2 0.438 4.406 3.960 0.014 0.000 0.295 165 G HA3 0.438 4.406 3.960 0.014 0.000 0.295 165 G C -1.442 173.527 174.900 0.115 0.000 1.461 165 G CA -0.140 44.962 45.100 0.004 0.000 0.817 165 G HN 0.139 nan 8.290 nan 0.000 0.556 166 G N -1.710 107.146 108.800 0.093 0.000 2.735 166 G HA2 0.510 4.479 3.960 0.014 0.000 0.301 166 G HA3 0.510 4.479 3.960 0.014 0.000 0.301 166 G C 0.127 174.964 174.900 -0.106 0.000 1.279 166 G CA -0.348 44.748 45.100 -0.006 0.000 1.019 166 G HN 0.672 nan 8.290 nan 0.000 0.497 167 Y N 0.052 120.084 120.300 -0.446 0.000 2.365 167 Y HA 0.168 4.727 4.550 0.015 0.000 0.293 167 Y C 1.786 177.607 175.900 -0.133 0.000 1.119 167 Y CA 0.921 58.733 58.100 -0.480 0.000 1.203 167 Y CB 0.057 38.200 38.460 -0.528 0.000 1.026 167 Y HN 0.298 nan 8.280 nan 0.000 0.549 168 T N 2.338 116.820 114.554 -0.120 0.000 2.794 168 T HA 0.073 4.432 4.350 0.014 0.000 0.296 168 T C -0.148 174.464 174.700 -0.148 0.000 0.949 168 T CA -0.149 61.862 62.100 -0.147 0.000 1.101 168 T CB 0.130 68.960 68.868 -0.064 0.000 0.905 168 T HN 0.345 nan 8.240 nan 0.000 0.516 169 N N 2.327 120.908 118.700 -0.198 0.000 2.696 169 N HA -0.164 4.585 4.740 0.014 0.000 0.256 169 N C -0.828 174.611 175.510 -0.118 0.000 1.031 169 N CA 0.265 53.219 53.050 -0.159 0.000 0.730 169 N CB -0.672 37.752 38.487 -0.105 0.000 0.894 169 N HN 0.652 nan 8.380 nan 0.000 0.544 170 D N -0.730 119.578 120.400 -0.154 0.000 2.713 170 D HA 0.232 4.881 4.640 0.014 0.000 0.229 170 D C 0.881 177.139 176.300 -0.069 0.000 1.136 170 D CA 0.008 53.988 54.000 -0.033 0.000 1.010 170 D CB -0.036 40.824 40.800 0.099 0.000 1.084 170 D HN 0.312 nan 8.370 nan 0.000 0.495 171 T N 0.750 115.262 114.554 -0.070 0.000 2.915 171 T HA -0.149 4.209 4.350 0.014 0.000 0.269 171 T C 1.645 176.317 174.700 -0.046 0.000 1.071 171 T CA 0.953 63.011 62.100 -0.069 0.000 1.132 171 T CB 0.047 68.879 68.868 -0.061 0.000 0.878 171 T HN 0.440 nan 8.240 nan 0.000 0.479 172 Q N 0.657 120.438 119.800 -0.032 0.000 2.436 172 Q HA 0.049 4.398 4.340 0.014 0.000 0.209 172 Q C 0.340 176.314 176.000 -0.043 0.000 0.965 172 Q CA 0.045 55.825 55.803 -0.038 0.000 0.910 172 Q CB -0.213 28.496 28.738 -0.049 0.000 0.980 172 Q HN 0.467 nan 8.270 nan 0.000 0.491 173 N N -0.132 118.557 118.700 -0.020 0.000 2.725 173 N HA -0.181 4.568 4.740 0.014 0.000 0.251 173 N C 0.173 175.622 175.510 -0.101 0.000 1.031 173 N CA 0.038 53.083 53.050 -0.009 0.000 0.720 173 N CB -0.908 37.565 38.487 -0.024 0.000 0.930 173 N HN 0.264 nan 8.380 nan 0.000 0.543 174 L N -1.623 119.508 121.223 -0.153 0.000 2.362 174 L HA 0.026 4.374 4.340 0.014 0.000 0.219 174 L C 0.413 176.823 176.870 -0.767 0.000 1.134 174 L CA 0.932 55.471 54.840 -0.500 0.000 0.807 174 L CB -0.211 41.420 42.059 -0.714 0.000 0.927 174 L HN 0.184 nan 8.230 nan 0.000 0.447 175 F N -2.693 117.147 119.950 -0.183 0.000 2.631 175 F HA 0.398 4.934 4.527 0.014 0.000 0.328 175 F C 0.278 175.803 175.800 -0.458 0.000 1.067 175 F CA -0.990 56.844 58.000 -0.277 0.000 0.969 175 F CB 0.941 39.911 39.000 -0.050 0.000 1.332 175 F HN -0.246 nan 8.300 nan 0.000 0.490 176 H N 0.161 119.165 119.070 -0.110 0.000 2.525 176 H HA 0.348 4.912 4.556 0.014 0.000 0.339 176 H C -0.652 174.293 175.328 -0.639 0.000 1.109 176 H CA -0.343 55.545 56.048 -0.267 0.000 1.352 176 H CB 0.724 30.510 29.762 0.041 0.000 1.461 176 H HN 0.437 nan 8.280 nan 0.000 0.533 177 H N 4.065 122.923 119.070 -0.353 0.000 2.616 177 H HA 0.041 4.605 4.556 0.015 0.000 0.229 177 H C -0.528 174.562 175.328 -0.397 0.000 1.418 177 H CA -0.015 55.854 56.048 -0.298 0.000 1.248 177 H CB 0.127 29.674 29.762 -0.358 0.000 1.822 177 H HN 0.752 nan 8.280 nan 0.000 0.522 178 Y N 0.178 120.531 120.300 0.088 0.000 2.467 178 Y HA 0.321 4.879 4.550 0.014 0.000 0.250 178 Y C 1.687 177.587 175.900 0.001 0.000 1.155 178 Y CA 0.375 58.483 58.100 0.014 0.000 1.249 178 Y CB 0.967 39.402 38.460 -0.042 0.000 1.146 178 Y HN 0.623 nan 8.280 nan 0.000 0.524 179 G N -0.115 108.766 108.800 0.135 0.000 2.698 179 G HA2 0.043 4.011 3.960 0.014 0.000 0.225 179 G HA3 0.043 4.011 3.960 0.014 0.000 0.225 179 G C 0.126 175.041 174.900 0.025 0.000 1.345 179 G CA -0.693 44.451 45.100 0.073 0.000 0.871 179 G HN 0.581 nan 8.290 nan 0.000 0.540 180 G N -1.194 107.583 108.800 -0.038 0.000 2.437 180 G HA2 0.687 4.655 3.960 0.014 0.000 0.319 180 G HA3 0.687 4.655 3.960 0.014 0.000 0.319 180 G C 0.184 174.964 174.900 -0.201 0.000 1.158 180 G CA 0.916 45.941 45.100 -0.126 0.000 0.899 180 G HN 1.272 nan 8.290 nan 0.000 0.502 181 T N -0.868 113.461 114.554 -0.375 0.000 2.897 181 T HA 0.290 4.648 4.350 0.014 0.000 0.294 181 T C 0.809 175.156 174.700 -0.588 0.000 1.004 181 T CA -0.021 61.760 62.100 -0.531 0.000 1.106 181 T CB 0.853 69.235 68.868 -0.811 0.000 0.949 181 T HN 0.581 nan 8.240 nan 0.000 0.520 182 D N 2.434 122.601 120.400 -0.388 0.000 2.369 182 D HA 0.087 4.736 4.640 0.014 0.000 0.211 182 D C 0.490 176.779 176.300 -0.019 0.000 1.077 182 D CA -0.299 53.601 54.000 -0.166 0.000 0.842 182 D CB -0.648 40.118 40.800 -0.057 0.000 0.947 182 D HN 0.624 nan 8.370 nan 0.000 0.509 183 F N 0.493 120.403 119.950 -0.066 0.000 3.093 183 F HA -0.297 4.239 4.527 0.015 0.000 0.287 183 F C 1.686 177.469 175.800 -0.028 0.000 0.882 183 F CA 0.600 58.574 58.000 -0.043 0.000 1.063 183 F CB -2.519 36.461 39.000 -0.033 0.000 1.097 183 F HN 0.161 nan 8.300 nan 0.000 0.604 184 S N -2.000 113.740 115.700 0.067 0.000 2.406 184 S HA 0.098 4.577 4.470 0.014 0.000 0.224 184 S C 0.985 175.607 174.600 0.037 0.000 1.030 184 S CA 0.950 59.180 58.200 0.051 0.000 0.958 184 S CB 0.116 63.322 63.200 0.009 0.000 0.811 184 S HN 0.580 nan 8.310 nan 0.000 0.489 185 T N -1.685 112.872 114.554 0.005 0.000 2.864 185 T HA 0.634 4.993 4.350 0.014 0.000 0.289 185 T C 0.897 175.582 174.700 -0.026 0.000 1.082 185 T CA -0.920 61.176 62.100 -0.006 0.000 1.009 185 T CB 0.825 69.667 68.868 -0.044 0.000 1.234 185 T HN -0.086 nan 8.240 nan 0.000 0.526 186 I N 0.595 121.151 120.570 -0.024 0.000 2.202 186 I HA -0.057 4.121 4.170 0.014 0.000 0.242 186 I C 2.619 178.635 176.117 -0.168 0.000 1.091 186 I CA 1.574 62.840 61.300 -0.057 0.000 1.368 186 I CB -1.265 36.772 38.000 0.062 0.000 1.058 186 I HN 0.955 nan 8.210 nan 0.000 0.410 187 E N 1.301 121.304 120.200 -0.329 0.000 2.097 187 E HA -0.313 4.046 4.350 0.014 0.000 0.196 187 E C 1.999 178.457 176.600 -0.235 0.000 1.000 187 E CA 2.058 58.107 56.400 -0.585 0.000 0.804 187 E CB -0.114 29.078 29.700 -0.847 0.000 0.740 187 E HN 0.482 nan 8.360 nan 0.000 0.454 188 N N -0.734 117.860 118.700 -0.178 0.000 2.084 188 N HA -0.114 4.635 4.740 0.014 0.000 0.190 188 N C 1.825 177.240 175.510 -0.158 0.000 1.030 188 N CA 1.710 54.675 53.050 -0.142 0.000 0.849 188 N CB -0.365 38.046 38.487 -0.126 0.000 1.012 188 N HN 0.199 nan 8.380 nan 0.000 0.423 189 G N -0.380 108.344 108.800 -0.126 0.000 2.559 189 G HA2 -0.073 3.895 3.960 0.014 0.000 0.216 189 G HA3 -0.073 3.895 3.960 0.014 0.000 0.216 189 G C 1.373 176.291 174.900 0.031 0.000 1.126 189 G CA 0.309 45.381 45.100 -0.046 0.000 0.778 189 G HN 0.315 nan 8.290 nan 0.000 0.543 190 I N -1.171 119.309 120.570 -0.151 0.000 2.296 190 I HA 0.011 4.190 4.170 0.014 0.000 0.242 190 I C 1.839 177.703 176.117 -0.422 0.000 1.087 190 I CA 0.728 61.840 61.300 -0.314 0.000 1.393 190 I CB 0.033 37.707 38.000 -0.544 0.000 1.093 190 I HN 0.095 nan 8.210 nan 0.000 0.421 191 Y N 0.937 121.144 120.300 -0.155 0.000 2.482 191 Y HA 0.204 4.763 4.550 0.015 0.000 0.270 191 Y C 0.808 176.562 175.900 -0.243 0.000 1.152 191 Y CA 0.026 57.910 58.100 -0.360 0.000 1.292 191 Y CB -0.097 38.126 38.460 -0.395 0.000 1.070 191 Y HN -0.052 nan 8.280 nan 0.000 0.528 192 K N 0.522 120.897 120.400 -0.041 0.000 2.166 192 K HA 0.247 4.576 4.320 0.014 0.000 0.245 192 K C -0.511 176.034 176.600 -0.092 0.000 0.967 192 K CA -1.121 55.157 56.287 -0.016 0.000 0.863 192 K CB 0.722 33.168 32.500 -0.091 0.000 1.107 192 K HN -0.116 nan 8.250 nan 0.000 0.436 193 N N 1.438 120.090 118.700 -0.080 0.000 2.458 193 N HA -0.011 4.737 4.740 0.014 0.000 0.258 193 N C -0.727 174.592 175.510 -0.318 0.000 1.219 193 N CA -0.154 52.808 53.050 -0.147 0.000 0.902 193 N CB 0.209 38.618 38.487 -0.131 0.000 1.076 193 N HN 0.279 nan 8.380 nan 0.000 0.455 194 L N 5.506 126.510 121.223 -0.365 0.000 2.295 194 L HA 0.175 4.524 4.340 0.014 0.000 0.288 194 L C -0.473 176.115 176.870 -0.470 0.000 1.079 194 L CA 0.410 54.883 54.840 -0.612 0.000 0.830 194 L CB -1.253 40.481 42.059 -0.541 0.000 1.200 194 L HN 0.471 nan 8.230 nan 0.000 0.438 195 Y N 1.368 121.558 120.300 -0.183 0.000 2.877 195 Y HA -0.386 4.172 4.550 0.015 0.000 0.467 195 Y C 1.310 177.123 175.900 -0.145 0.000 1.185 195 Y CA 1.078 59.100 58.100 -0.131 0.000 2.565 195 Y CB -1.313 37.082 38.460 -0.109 0.000 1.217 195 Y HN 0.760 nan 8.280 nan 0.000 0.629 196 D N 1.029 121.469 120.400 0.066 0.000 2.424 196 D HA 0.253 4.902 4.640 0.014 0.000 0.220 196 D C -0.252 175.961 176.300 -0.144 0.000 1.150 196 D CA 0.102 54.082 54.000 -0.033 0.000 0.831 196 D CB -0.633 40.204 40.800 0.061 0.000 0.981 196 D HN 0.405 nan 8.370 nan 0.000 0.500 197 L N 1.160 122.275 121.223 -0.179 0.000 2.331 197 L HA 0.440 4.789 4.340 0.014 0.000 0.278 197 L C 0.712 177.415 176.870 -0.278 0.000 1.106 197 L CA -0.961 53.730 54.840 -0.249 0.000 0.824 197 L CB 1.101 42.950 42.059 -0.349 0.000 1.142 197 L HN -0.010 nan 8.230 nan 0.000 0.443 198 A N 2.557 125.156 122.820 -0.368 0.000 2.473 198 A HA 0.049 4.378 4.320 0.014 0.000 0.282 198 A C -0.066 177.542 177.584 0.041 0.000 1.163 198 A CA -0.299 51.431 52.037 -0.512 0.000 0.827 198 A CB -0.376 18.181 19.000 -0.738 0.000 1.098 198 A HN 0.727 nan 8.150 nan 0.000 0.515 199 D N 2.729 123.165 120.400 0.060 0.000 2.358 199 D HA 0.293 4.941 4.640 0.014 0.000 0.258 199 D C 0.167 176.547 176.300 0.134 0.000 1.223 199 D CA 0.319 54.415 54.000 0.160 0.000 0.886 199 D CB 0.243 41.165 40.800 0.204 0.000 1.120 199 D HN 0.485 nan 8.370 nan 0.000 0.482 200 L N 3.422 124.618 121.223 -0.045 0.000 2.439 200 L HA 0.135 4.483 4.340 0.014 0.000 0.269 200 L C 0.661 177.084 176.870 -0.745 0.000 1.179 200 L CA -0.269 54.298 54.840 -0.455 0.000 0.828 200 L CB 0.438 42.161 42.059 -0.561 0.000 1.106 200 L HN 0.433 nan 8.230 nan 0.000 0.467 201 N N 0.382 118.565 118.700 -0.862 0.000 2.609 201 N HA 0.154 4.902 4.740 0.014 0.000 0.234 201 N C 0.359 175.486 175.510 -0.639 0.000 1.001 201 N CA -0.315 52.247 53.050 -0.812 0.000 0.926 201 N CB 0.462 38.547 38.487 -0.670 0.000 1.130 201 N HN 0.425 nan 8.380 nan 0.000 0.510 202 H N 1.200 120.026 119.070 -0.406 0.000 2.546 202 H HA 0.029 4.594 4.556 0.014 0.000 0.277 202 H C 1.178 176.397 175.328 -0.182 0.000 1.004 202 H CA 0.669 56.391 56.048 -0.544 0.000 1.231 202 H CB 0.232 29.257 29.762 -1.229 0.000 1.382 202 H HN 0.538 nan 8.280 nan 0.000 0.580 203 N N 0.744 119.478 118.700 0.056 0.000 2.512 203 N HA -0.120 4.629 4.740 0.014 0.000 0.183 203 N C 0.171 175.715 175.510 0.055 0.000 1.073 203 N CA 0.028 53.155 53.050 0.128 0.000 0.911 203 N CB 0.070 38.667 38.487 0.184 0.000 0.964 203 N HN 0.193 nan 8.380 nan 0.000 0.447 204 N N 0.010 118.688 118.700 -0.038 0.000 2.444 204 N HA 0.051 4.800 4.740 0.014 0.000 0.271 204 N C 0.170 175.673 175.510 -0.010 0.000 1.069 204 N CA 0.106 53.129 53.050 -0.046 0.000 0.965 204 N CB 1.197 39.605 38.487 -0.131 0.000 1.092 204 N HN 0.026 nan 8.380 nan 0.000 0.476 205 S N 2.401 118.120 115.700 0.032 0.000 2.383 205 S HA -0.130 4.348 4.470 0.014 0.000 0.229 205 S C 1.804 176.437 174.600 0.056 0.000 1.030 205 S CA 1.211 59.451 58.200 0.067 0.000 1.002 205 S CB -0.069 63.172 63.200 0.068 0.000 0.829 205 S HN 0.689 nan 8.310 nan 0.000 0.467 206 S N 1.241 116.948 115.700 0.012 0.000 2.382 206 S HA -0.053 4.426 4.470 0.014 0.000 0.228 206 S C 1.979 176.588 174.600 0.014 0.000 1.027 206 S CA 1.066 59.270 58.200 0.007 0.000 0.991 206 S CB -0.389 62.781 63.200 -0.050 0.000 0.823 206 S HN 0.357 nan 8.310 nan 0.000 0.469 207 V N 1.956 121.833 119.914 -0.062 0.000 2.379 207 V HA -0.146 3.983 4.120 0.014 0.000 0.245 207 V C 2.259 178.394 176.094 0.069 0.000 1.044 207 V CA 1.941 64.184 62.300 -0.093 0.000 1.036 207 V CB -0.701 30.924 31.823 -0.330 0.000 0.664 207 V HN 0.473 nan 8.190 nan 0.000 0.453 208 D N 0.228 120.693 120.400 0.109 0.000 2.092 208 D HA -0.175 4.473 4.640 0.014 0.000 0.193 208 D C 1.963 178.463 176.300 0.335 0.000 0.994 208 D CA 1.835 56.032 54.000 0.328 0.000 0.828 208 D CB -0.074 40.931 40.800 0.342 0.000 0.963 208 D HN 0.190 nan 8.370 nan 0.000 0.450 209 V N -0.205 119.846 119.914 0.228 0.000 2.453 209 V HA -0.171 3.957 4.120 0.014 0.000 0.247 209 V C 2.057 178.267 176.094 0.194 0.000 1.048 209 V CA 1.623 64.033 62.300 0.183 0.000 1.049 209 V CB -0.882 31.020 31.823 0.132 0.000 0.672 209 V HN 0.348 nan 8.190 nan 0.000 0.457 210 Y N 0.660 121.010 120.300 0.083 0.000 2.181 210 Y HA -0.216 4.342 4.550 0.014 0.000 0.288 210 Y C 2.139 178.112 175.900 0.123 0.000 1.146 210 Y CA 1.717 59.865 58.100 0.081 0.000 1.164 210 Y CB -0.207 38.278 38.460 0.040 0.000 0.982 210 Y HN 0.157 nan 8.280 nan 0.000 0.515 211 L N -0.072 121.231 121.223 0.134 0.000 2.156 211 L HA -0.161 4.187 4.340 0.014 0.000 0.208 211 L C 2.336 179.370 176.870 0.272 0.000 1.095 211 L CA 1.337 56.238 54.840 0.103 0.000 0.770 211 L CB -0.384 41.822 42.059 0.246 0.000 0.914 211 L HN 0.150 nan 8.230 nan 0.000 0.439 212 K N -0.260 120.308 120.400 0.280 0.000 2.103 212 K HA -0.123 4.205 4.320 0.014 0.000 0.204 212 K C 1.609 178.209 176.600 0.000 0.000 1.052 212 K CA 1.153 57.548 56.287 0.181 0.000 0.945 212 K CB -0.059 32.526 32.500 0.142 0.000 0.722 212 K HN 0.212 nan 8.250 nan 0.000 0.443 213 D N 0.951 121.336 120.400 -0.025 0.000 2.117 213 D HA -0.122 4.527 4.640 0.014 0.000 0.198 213 D C 1.849 178.091 176.300 -0.097 0.000 0.982 213 D CA 1.232 55.180 54.000 -0.087 0.000 0.828 213 D CB -0.192 40.575 40.800 -0.056 0.000 0.967 213 D HN 0.180 nan 8.370 nan 0.000 0.464 214 A N 0.776 123.537 122.820 -0.099 0.000 1.877 214 A HA -0.154 4.175 4.320 0.014 0.000 0.216 214 A C 2.235 179.917 177.584 0.163 0.000 1.186 214 A CA 0.993 53.053 52.037 0.039 0.000 0.620 214 A CB -0.694 18.367 19.000 0.101 0.000 0.822 214 A HN 0.192 nan 8.150 nan 0.000 0.443 215 I N -0.136 120.452 120.570 0.031 0.000 2.315 215 I HA -0.178 4.000 4.170 0.014 0.000 0.248 215 I C 2.153 178.222 176.117 -0.080 0.000 1.117 215 I CA 1.582 62.771 61.300 -0.185 0.000 1.404 215 I CB -0.281 37.508 38.000 -0.353 0.000 1.071 215 I HN 0.245 nan 8.210 nan 0.000 0.419 216 K N -0.410 119.907 120.400 -0.138 0.000 2.152 216 K HA -0.225 4.103 4.320 0.014 0.000 0.206 216 K C 2.165 178.728 176.600 -0.062 0.000 1.048 216 K CA 1.851 58.029 56.287 -0.182 0.000 0.933 216 K CB -0.323 31.872 32.500 -0.508 0.000 0.721 216 K HN 0.416 nan 8.250 nan 0.000 0.447 217 M N -0.440 119.096 119.600 -0.108 0.000 2.117 217 M HA -0.181 4.308 4.480 0.014 0.000 0.262 217 M C 1.383 177.546 176.300 -0.227 0.000 1.065 217 M CA 1.793 56.980 55.300 -0.188 0.000 1.114 217 M CB -0.125 32.293 32.600 -0.303 0.000 1.361 217 M HN 0.206 nan 8.290 nan 0.000 0.408 218 W N 0.434 121.727 121.300 -0.011 0.000 2.467 218 W HA -0.063 4.606 4.660 0.016 0.000 0.275 218 W C 1.978 178.540 176.519 0.071 0.000 1.239 218 W CA 0.555 57.908 57.345 0.013 0.000 1.266 218 W CB -0.318 29.125 29.460 -0.027 0.000 1.112 218 W HN 0.193 nan 8.180 nan 0.000 0.576 219 L N -0.166 121.186 121.223 0.215 0.000 2.056 219 L HA -0.212 4.136 4.340 0.014 0.000 0.207 219 L C 1.930 178.908 176.870 0.179 0.000 1.078 219 L CA 1.164 56.120 54.840 0.193 0.000 0.749 219 L CB -0.768 41.417 42.059 0.209 0.000 0.901 219 L HN -0.111 nan 8.230 nan 0.000 0.433 220 D N 0.197 120.695 120.400 0.164 0.000 2.218 220 D HA -0.132 4.516 4.640 0.014 0.000 0.204 220 D C 2.167 178.520 176.300 0.090 0.000 0.976 220 D CA 1.104 55.173 54.000 0.116 0.000 0.853 220 D CB -0.056 40.794 40.800 0.083 0.000 0.939 220 D HN 0.285 nan 8.370 nan 0.000 0.481 221 L N -0.685 120.602 121.223 0.108 0.000 2.610 221 L HA 0.113 4.462 4.340 0.014 0.000 0.232 221 L C 1.455 178.448 176.870 0.205 0.000 1.149 221 L CA 0.528 55.466 54.840 0.162 0.000 0.872 221 L CB 0.034 42.239 42.059 0.244 0.000 0.992 221 L HN 0.151 nan 8.230 nan 0.000 0.447 222 G N -0.070 108.850 108.800 0.200 0.000 2.148 222 G HA2 -0.229 3.740 3.960 0.014 0.000 0.203 222 G HA3 -0.229 3.740 3.960 0.014 0.000 0.203 222 G C 0.292 175.346 174.900 0.257 0.000 0.993 222 G CA -0.018 45.208 45.100 0.210 0.000 0.661 222 G HN 0.196 nan 8.290 nan 0.000 0.518 223 V N -1.790 118.294 119.914 0.283 0.000 2.811 223 V HA 0.575 4.704 4.120 0.014 0.000 0.302 223 V C 0.891 177.143 176.094 0.264 0.000 1.063 223 V CA 0.583 63.053 62.300 0.283 0.000 1.088 223 V CB 1.400 33.425 31.823 0.338 0.000 0.982 223 V HN 0.116 nan 8.190 nan 0.000 0.485 224 D N 2.842 123.427 120.400 0.309 0.000 2.367 224 D HA 0.304 4.952 4.640 0.014 0.000 0.207 224 D C 0.715 177.270 176.300 0.426 0.000 1.034 224 D CA 1.287 55.505 54.000 0.363 0.000 0.861 224 D CB 1.195 42.249 40.800 0.422 0.000 0.943 224 D HN 0.932 nan 8.370 nan 0.000 0.515 225 G N 0.246 109.219 108.800 0.288 0.000 2.623 225 G HA2 0.607 4.576 3.960 0.014 0.000 0.290 225 G HA3 0.607 4.576 3.960 0.014 0.000 0.290 225 G C -1.721 173.190 174.900 0.019 0.000 1.437 225 G CA -0.643 44.537 45.100 0.133 0.000 0.798 225 G HN 0.003 nan 8.290 nan 0.000 0.488 226 I N 0.562 121.047 120.570 -0.141 0.000 2.571 226 I HA 0.426 4.605 4.170 0.014 0.000 0.289 226 I C -0.461 175.315 176.117 -0.568 0.000 1.115 226 I CA -0.841 60.330 61.300 -0.216 0.000 1.045 226 I CB 2.396 40.316 38.000 -0.134 0.000 1.238 226 I HN 0.236 nan 8.210 nan 0.000 0.424 227 R N 5.935 126.029 120.500 -0.677 0.000 2.229 227 R HA 0.519 4.868 4.340 0.014 0.000 0.332 227 R C -1.422 174.690 176.300 -0.314 0.000 0.989 227 R CA -0.548 54.932 56.100 -1.033 0.000 0.842 227 R CB 1.476 31.049 30.300 -1.213 0.000 1.119 227 R HN 0.421 nan 8.270 nan 0.000 0.456 228 V N 4.552 124.341 119.914 -0.208 0.000 2.406 228 V HA 0.058 4.186 4.120 0.014 0.000 0.272 228 V C 0.486 176.615 176.094 0.057 0.000 1.043 228 V CA -0.656 61.672 62.300 0.047 0.000 0.915 228 V CB 1.254 33.161 31.823 0.139 0.000 0.988 228 V HN 0.672 nan 8.190 nan 0.000 0.466 229 D N 4.276 124.735 120.400 0.098 0.000 2.345 229 D HA 0.472 5.121 4.640 0.014 0.000 0.247 229 D C 0.757 177.114 176.300 0.094 0.000 1.108 229 D CA 0.578 54.637 54.000 0.098 0.000 0.894 229 D CB 0.952 41.797 40.800 0.076 0.000 1.203 229 D HN 1.102 nan 8.370 nan 0.000 0.430 230 A N 2.431 125.319 122.820 0.113 0.000 2.610 230 A HA -0.173 4.156 4.320 0.014 0.000 0.299 230 A C 1.446 179.045 177.584 0.025 0.000 1.487 230 A CA 0.920 53.037 52.037 0.132 0.000 0.743 230 A CB -2.382 16.750 19.000 0.221 0.000 1.070 230 A HN 1.112 nan 8.150 nan 0.000 0.439 231 V N -1.846 118.047 119.914 -0.035 0.000 2.759 231 V HA -0.116 4.013 4.120 0.014 0.000 0.256 231 V C 1.852 177.707 176.094 -0.398 0.000 1.080 231 V CA 2.429 64.654 62.300 -0.126 0.000 1.101 231 V CB -0.582 31.173 31.823 -0.113 0.000 0.698 231 V HN 0.678 nan 8.190 nan 0.000 0.477 232 K N -0.825 119.179 120.400 -0.659 0.000 2.486 232 K HA -0.057 4.272 4.320 0.014 0.000 0.194 232 K C 1.187 177.251 176.600 -0.894 0.000 1.033 232 K CA 0.698 56.278 56.287 -1.180 0.000 1.004 232 K CB -0.069 31.394 32.500 -1.728 0.000 0.798 232 K HN 0.664 nan 8.250 nan 0.000 0.495 233 H N -0.720 118.206 119.070 -0.240 0.000 2.581 233 H HA 0.267 4.831 4.556 0.014 0.000 0.275 233 H C -0.356 174.898 175.328 -0.124 0.000 1.126 233 H CA -0.011 55.934 56.048 -0.171 0.000 1.097 233 H CB 0.299 29.994 29.762 -0.111 0.000 1.626 233 H HN 0.105 nan 8.280 nan 0.000 0.565 234 M N 0.799 120.373 119.600 -0.042 0.000 2.530 234 M HA 0.359 4.847 4.480 0.014 0.000 0.307 234 M C -2.620 173.697 176.300 0.029 0.000 1.161 234 M CA -1.898 53.395 55.300 -0.012 0.000 0.903 234 M CB 2.858 35.467 32.600 0.015 0.000 1.711 234 M HN -0.201 nan 8.290 nan 0.000 0.451 235 P HA -0.041 nan 4.420 nan 0.000 0.263 235 P C 0.071 177.556 177.300 0.309 0.000 1.195 235 P CA 0.128 63.328 63.100 0.167 0.000 0.762 235 P CB 0.192 32.036 31.700 0.240 0.000 0.799 236 F N 4.584 124.661 119.950 0.212 0.000 2.091 236 F HA -0.186 4.350 4.527 0.014 0.000 0.299 236 F C 2.151 178.081 175.800 0.216 0.000 1.103 236 F CA 2.548 60.739 58.000 0.317 0.000 1.228 236 F CB -0.956 38.257 39.000 0.356 0.000 0.984 236 F HN 0.372 nan 8.300 nan 0.000 0.477 237 G N -1.036 108.031 108.800 0.444 0.000 2.450 237 G HA2 -0.354 3.615 3.960 0.014 0.000 0.220 237 G HA3 -0.354 3.615 3.960 0.014 0.000 0.220 237 G C 1.417 176.427 174.900 0.183 0.000 1.130 237 G CA 0.748 46.033 45.100 0.308 0.000 0.760 237 G HN 0.643 nan 8.290 nan 0.000 0.557 238 W N 1.046 122.398 121.300 0.086 0.000 2.453 238 W HA 0.062 4.730 4.660 0.014 0.000 0.289 238 W C 2.709 179.230 176.519 0.004 0.000 1.215 238 W CA 1.208 58.578 57.345 0.042 0.000 1.297 238 W CB 0.038 29.486 29.460 -0.021 0.000 1.113 238 W HN 0.263 nan 8.180 nan 0.000 0.551 239 Q N 0.310 120.093 119.800 -0.028 0.000 2.170 239 Q HA -0.231 4.117 4.340 0.014 0.000 0.203 239 Q C 2.135 177.960 176.000 -0.292 0.000 0.976 239 Q CA 1.650 57.354 55.803 -0.165 0.000 0.858 239 Q CB -0.328 28.466 28.738 0.092 0.000 0.907 239 Q HN 0.331 nan 8.270 nan 0.000 0.433 240 K N 0.661 120.839 120.400 -0.369 0.000 2.062 240 K HA -0.131 4.198 4.320 0.014 0.000 0.205 240 K C 2.301 178.737 176.600 -0.274 0.000 1.051 240 K CA 1.520 57.581 56.287 -0.377 0.000 0.941 240 K CB 0.002 32.278 32.500 -0.374 0.000 0.719 240 K HN 0.188 nan 8.250 nan 0.000 0.440 241 S N 0.059 115.604 115.700 -0.259 0.000 2.402 241 S HA -0.149 4.330 4.470 0.014 0.000 0.229 241 S C 1.882 176.293 174.600 -0.316 0.000 1.021 241 S CA 0.627 58.688 58.200 -0.232 0.000 0.974 241 S CB -0.578 62.521 63.200 -0.169 0.000 0.800 241 S HN 0.386 nan 8.310 nan 0.000 0.484 242 F N 2.410 121.929 119.950 -0.717 0.000 2.075 242 F HA 0.062 4.597 4.527 0.014 0.000 0.297 242 F C 2.312 177.872 175.800 -0.400 0.000 1.113 242 F CA 1.361 58.940 58.000 -0.701 0.000 1.218 242 F CB -0.426 37.907 39.000 -1.110 0.000 0.984 242 F HN 0.093 nan 8.300 nan 0.000 0.472 243 M N 0.416 119.785 119.600 -0.385 0.000 2.159 243 M HA -0.126 4.362 4.480 0.014 0.000 0.263 243 M C 2.461 178.572 176.300 -0.315 0.000 1.063 243 M CA 1.588 56.661 55.300 -0.377 0.000 1.110 243 M CB -2.027 30.404 32.600 -0.282 0.000 1.374 243 M HN 0.313 nan 8.290 nan 0.000 0.411 244 A N -0.791 121.874 122.820 -0.258 0.000 1.969 244 A HA -0.105 4.223 4.320 0.014 0.000 0.218 244 A C 2.302 179.784 177.584 -0.170 0.000 1.169 244 A CA 1.956 53.885 52.037 -0.181 0.000 0.635 244 A CB -0.935 17.982 19.000 -0.138 0.000 0.810 244 A HN 0.466 nan 8.150 nan 0.000 0.445 245 T N 0.332 114.747 114.554 -0.232 0.000 2.777 245 T HA -0.066 4.293 4.350 0.014 0.000 0.266 245 T C 1.781 176.367 174.700 -0.191 0.000 1.040 245 T CA 1.481 63.459 62.100 -0.204 0.000 1.141 245 T CB -0.364 68.355 68.868 -0.249 0.000 0.868 245 T HN 0.443 nan 8.240 nan 0.000 0.444 246 I N 1.583 121.961 120.570 -0.321 0.000 2.142 246 I HA -0.177 4.001 4.170 0.014 0.000 0.240 246 I C 2.333 178.398 176.117 -0.087 0.000 1.078 246 I CA 1.033 62.197 61.300 -0.226 0.000 1.343 246 I CB -0.343 37.438 38.000 -0.365 0.000 1.046 246 I HN 0.155 nan 8.210 nan 0.000 0.405 247 N N 0.905 119.535 118.700 -0.117 0.000 2.270 247 N HA -0.112 4.636 4.740 0.014 0.000 0.181 247 N C 1.296 176.788 175.510 -0.029 0.000 1.016 247 N CA 0.967 53.978 53.050 -0.065 0.000 0.870 247 N CB -0.476 37.962 38.487 -0.082 0.000 0.979 247 N HN 0.333 nan 8.380 nan 0.000 0.431 248 N N -0.496 118.191 118.700 -0.021 0.000 2.398 248 N HA -0.031 4.718 4.740 0.014 0.000 0.188 248 N C 0.893 176.438 175.510 0.058 0.000 1.122 248 N CA 0.141 53.195 53.050 0.006 0.000 0.866 248 N CB 0.226 38.713 38.487 -0.000 0.000 0.970 248 N HN 0.448 nan 8.380 nan 0.000 0.462 249 Y N 0.441 120.695 120.300 -0.076 0.000 2.808 249 Y HA 0.325 4.883 4.550 0.014 0.000 0.244 249 Y C -0.338 175.532 175.900 -0.051 0.000 1.033 249 Y CA 0.284 58.345 58.100 -0.064 0.000 1.415 249 Y CB 0.787 39.198 38.460 -0.081 0.000 1.420 249 Y HN -0.312 nan 8.280 nan 0.000 0.484 250 K N 2.527 122.817 120.400 -0.183 0.000 2.814 250 K HA 0.284 4.612 4.320 0.014 0.000 0.205 250 K C -2.922 173.646 176.600 -0.053 0.000 1.093 250 K CA -2.093 54.062 56.287 -0.220 0.000 1.035 250 K CB 1.596 33.931 32.500 -0.276 0.000 1.220 250 K HN 0.081 nan 8.250 nan 0.000 0.576 251 P HA -0.021 nan 4.420 nan 0.000 0.264 251 P C -0.261 177.063 177.300 0.039 0.000 1.193 251 P CA -0.110 62.988 63.100 -0.003 0.000 0.763 251 P CB 0.958 32.665 31.700 0.011 0.000 0.810 252 V N 0.946 120.894 119.914 0.056 0.000 3.130 252 V HA 0.495 4.624 4.120 0.014 0.000 0.310 252 V C -0.437 175.755 176.094 0.163 0.000 1.158 252 V CA -1.536 60.850 62.300 0.143 0.000 1.029 252 V CB 1.793 33.700 31.823 0.140 0.000 1.057 252 V HN 0.385 nan 8.190 nan 0.000 0.436 253 F N 2.007 121.993 119.950 0.061 0.000 2.557 253 F HA 0.505 5.040 4.527 0.013 0.000 0.384 253 F C 0.343 176.112 175.800 -0.051 0.000 1.057 253 F CA 0.932 58.912 58.000 -0.033 0.000 1.169 253 F CB 0.296 39.178 39.000 -0.197 0.000 1.070 253 F HN 0.759 nan 8.300 nan 0.000 0.554 254 T N 7.920 122.218 114.554 -0.428 0.000 2.848 254 T HA 0.558 4.916 4.350 0.014 0.000 0.285 254 T C -1.077 173.372 174.700 -0.419 0.000 0.995 254 T CA -0.387 61.486 62.100 -0.380 0.000 0.970 254 T CB 1.095 69.830 68.868 -0.222 0.000 0.976 254 T HN 0.476 nan 8.240 nan 0.000 0.441 255 F N -0.468 119.119 119.950 -0.605 0.000 2.613 255 F HA 0.906 5.441 4.527 0.013 0.000 0.310 255 F C 0.056 175.749 175.800 -0.179 0.000 1.085 255 F CA -1.253 56.490 58.000 -0.428 0.000 0.945 255 F CB 1.226 39.884 39.000 -0.569 0.000 1.298 255 F HN 0.746 nan 8.300 nan 0.000 0.455 256 G N 0.179 109.025 108.800 0.077 0.000 2.735 256 G HA2 0.545 4.513 3.960 0.014 0.000 0.301 256 G HA3 0.545 4.513 3.960 0.014 0.000 0.301 256 G C -2.065 172.960 174.900 0.209 0.000 1.279 256 G CA -0.886 44.273 45.100 0.097 0.000 1.019 256 G HN 0.903 nan 8.290 nan 0.000 0.497 257 E N -0.251 120.087 120.200 0.230 0.000 2.165 257 E HA 0.336 4.695 4.350 0.014 0.000 0.266 257 E C -1.621 175.194 176.600 0.358 0.000 0.889 257 E CA -0.922 55.681 56.400 0.338 0.000 0.756 257 E CB 1.545 31.460 29.700 0.357 0.000 1.131 257 E HN 0.443 nan 8.360 nan 0.000 0.411 258 W N 7.855 129.283 121.300 0.213 0.000 2.543 258 W HA 0.325 4.993 4.660 0.013 0.000 0.318 258 W C -1.999 174.710 176.519 0.316 0.000 1.002 258 W CA -1.319 56.139 57.345 0.189 0.000 1.302 258 W CB 0.602 30.136 29.460 0.123 0.000 1.299 258 W HN 0.503 nan 8.180 nan 0.000 0.424 259 F N 5.683 125.857 119.950 0.374 0.000 2.429 259 F HA 0.439 4.974 4.527 0.012 0.000 0.348 259 F C -0.243 175.733 175.800 0.293 0.000 1.109 259 F CA 0.392 58.567 58.000 0.292 0.000 1.232 259 F CB 0.738 39.812 39.000 0.124 0.000 1.157 259 F HN 0.146 nan 8.300 nan 0.000 0.564 260 L N 4.467 125.548 121.223 -0.237 0.000 2.381 260 L HA 0.530 4.879 4.340 0.014 0.000 0.268 260 L C 0.458 177.213 176.870 -0.191 0.000 0.997 260 L CA -0.974 53.771 54.840 -0.158 0.000 0.818 260 L CB 1.744 43.590 42.059 -0.356 0.000 1.310 260 L HN 0.718 nan 8.230 nan 0.000 0.416 261 G N 1.226 110.026 108.800 -0.001 0.000 2.588 261 G HA2 0.392 4.361 3.960 0.014 0.000 0.278 261 G HA3 0.392 4.361 3.960 0.014 0.000 0.278 261 G C -0.196 174.690 174.900 -0.023 0.000 1.307 261 G CA -0.475 44.657 45.100 0.053 0.000 1.016 261 G HN 0.280 nan 8.290 nan 0.000 0.503 262 V N 1.613 121.533 119.914 0.009 0.000 2.637 262 V HA 0.051 4.180 4.120 0.014 0.000 0.296 262 V C 0.793 176.873 176.094 -0.023 0.000 1.046 262 V CA -0.025 62.266 62.300 -0.014 0.000 1.066 262 V CB 0.949 32.773 31.823 0.001 0.000 0.968 262 V HN 0.881 nan 8.190 nan 0.000 0.483 263 N N 2.205 120.883 118.700 -0.037 0.000 2.693 263 N HA -0.191 4.558 4.740 0.014 0.000 0.249 263 N C 0.273 175.760 175.510 -0.037 0.000 1.119 263 N CA 1.299 54.328 53.050 -0.035 0.000 0.717 263 N CB -0.457 38.017 38.487 -0.023 0.000 1.071 263 N HN 0.929 nan 8.380 nan 0.000 0.555 264 E N 0.687 120.852 120.200 -0.058 0.000 2.174 264 E HA 0.350 4.709 4.350 0.014 0.000 0.282 264 E C -0.438 176.095 176.600 -0.113 0.000 0.992 264 E CA -0.468 55.895 56.400 -0.061 0.000 0.803 264 E CB 0.688 30.357 29.700 -0.051 0.000 1.090 264 E HN 0.053 nan 8.360 nan 0.000 0.396 265 I N 3.258 123.780 120.570 -0.079 0.000 2.447 265 I HA 0.168 4.347 4.170 0.014 0.000 0.287 265 I C -0.218 175.861 176.117 -0.062 0.000 1.023 265 I CA -0.574 60.669 61.300 -0.095 0.000 1.083 265 I CB 1.256 39.249 38.000 -0.012 0.000 1.245 265 I HN 0.339 nan 8.210 nan 0.000 0.434 266 S N 7.604 123.222 115.700 -0.136 0.000 2.449 266 S HA 0.565 5.044 4.470 0.014 0.000 0.310 266 S C -1.871 172.729 174.600 -0.001 0.000 1.096 266 S CA -1.431 56.748 58.200 -0.035 0.000 1.095 266 S CB 1.725 64.918 63.200 -0.013 0.000 1.007 266 S HN 0.326 nan 8.310 nan 0.000 0.474 267 P HA -0.034 nan 4.420 nan 0.000 0.215 267 P C 0.858 178.199 177.300 0.068 0.000 1.157 267 P CA 1.026 64.188 63.100 0.102 0.000 0.863 267 P CB 0.162 31.916 31.700 0.091 0.000 0.787 268 E N -1.252 118.993 120.200 0.075 0.000 2.085 268 E HA -0.233 4.126 4.350 0.014 0.000 0.194 268 E C 2.000 178.417 176.600 -0.304 0.000 0.994 268 E CA 1.162 57.604 56.400 0.071 0.000 0.801 268 E CB -1.382 28.527 29.700 0.347 0.000 0.743 268 E HN 0.343 nan 8.360 nan 0.000 0.453 269 Y N 0.686 120.504 120.300 -0.803 0.000 2.081 269 Y HA -0.320 4.238 4.550 0.014 0.000 0.280 269 Y C 2.096 177.640 175.900 -0.593 0.000 1.163 269 Y CA 2.340 59.663 58.100 -1.296 0.000 1.135 269 Y CB -0.422 37.379 38.460 -1.098 0.000 0.970 269 Y HN 0.189 nan 8.280 nan 0.000 0.498 270 H N -0.898 118.138 119.070 -0.057 0.000 2.423 270 H HA -0.137 4.427 4.556 0.014 0.000 0.297 270 H C 2.336 177.644 175.328 -0.033 0.000 1.075 270 H CA 1.258 57.266 56.048 -0.066 0.000 1.342 270 H CB -0.049 29.681 29.762 -0.054 0.000 1.395 270 H HN 0.459 nan 8.280 nan 0.000 0.530 271 Q N 0.159 120.011 119.800 0.086 0.000 2.084 271 Q HA -0.188 4.161 4.340 0.014 0.000 0.202 271 Q C 1.833 177.938 176.000 0.175 0.000 0.978 271 Q CA 1.408 57.270 55.803 0.098 0.000 0.844 271 Q CB -0.091 28.686 28.738 0.064 0.000 0.898 271 Q HN 0.472 nan 8.270 nan 0.000 0.426 272 F N 0.636 120.602 119.950 0.027 0.000 2.084 272 F HA -0.110 4.426 4.527 0.014 0.000 0.296 272 F C 2.142 177.987 175.800 0.074 0.000 1.111 272 F CA 1.566 59.672 58.000 0.178 0.000 1.224 272 F CB -0.443 38.574 39.000 0.028 0.000 0.991 272 F HN 0.135 nan 8.300 nan 0.000 0.471 273 A N 0.160 123.024 122.820 0.073 0.000 1.972 273 A HA -0.201 4.127 4.320 0.014 0.000 0.219 273 A C 1.852 179.448 177.584 0.020 0.000 1.169 273 A CA 1.959 54.014 52.037 0.030 0.000 0.635 273 A CB -0.760 18.316 19.000 0.127 0.000 0.810 273 A HN 0.521 nan 8.150 nan 0.000 0.446 274 N N -0.513 118.227 118.700 0.066 0.000 2.395 274 N HA 0.001 4.750 4.740 0.014 0.000 0.175 274 N C 1.024 176.554 175.510 0.034 0.000 1.029 274 N CA 1.145 54.233 53.050 0.064 0.000 0.897 274 N CB 0.033 38.571 38.487 0.085 0.000 0.991 274 N HN 0.698 nan 8.380 nan 0.000 0.441 275 E N -0.964 119.266 120.200 0.050 0.000 2.641 275 E HA 0.116 4.474 4.350 0.014 0.000 0.224 275 E C 0.876 177.472 176.600 -0.007 0.000 0.951 275 E CA -0.003 56.463 56.400 0.111 0.000 1.102 275 E CB 0.490 30.354 29.700 0.273 0.000 1.091 275 E HN 0.213 nan 8.360 nan 0.000 0.507 276 S N -0.532 114.950 115.700 -0.363 0.000 2.501 276 S HA 0.175 4.654 4.470 0.014 0.000 0.220 276 S C 1.726 176.012 174.600 -0.522 0.000 0.997 276 S CA 0.551 58.264 58.200 -0.813 0.000 0.919 276 S CB 0.462 62.739 63.200 -1.539 0.000 0.778 276 S HN 0.311 nan 8.310 nan 0.000 0.523 277 G N 1.393 109.988 108.800 -0.343 0.000 2.176 277 G HA2 -0.225 3.743 3.960 0.014 0.000 0.232 277 G HA3 -0.225 3.743 3.960 0.014 0.000 0.232 277 G C -0.051 174.718 174.900 -0.218 0.000 0.986 277 G CA 0.183 45.134 45.100 -0.248 0.000 0.643 277 G HN 0.853 nan 8.290 nan 0.000 0.522 278 M N 0.105 119.548 119.600 -0.262 0.000 2.716 278 M HA 0.850 5.339 4.480 0.014 0.000 0.307 278 M C 0.433 176.658 176.300 -0.126 0.000 1.223 278 M CA -0.283 54.912 55.300 -0.175 0.000 0.871 278 M CB 2.037 34.568 32.600 -0.114 0.000 1.739 278 M HN 0.583 nan 8.290 nan 0.000 0.475 279 S N 1.355 117.001 115.700 -0.091 0.000 2.647 279 S HA 0.864 5.343 4.470 0.014 0.000 0.284 279 S C -0.458 174.172 174.600 0.049 0.000 1.134 279 S CA -0.844 57.331 58.200 -0.043 0.000 1.027 279 S CB 1.058 64.221 63.200 -0.062 0.000 1.180 279 S HN 0.772 nan 8.310 nan 0.000 0.521 280 L N -0.042 121.202 121.223 0.036 0.000 2.350 280 L HA 0.501 4.850 4.340 0.014 0.000 0.260 280 L C -0.769 176.204 176.870 0.173 0.000 1.015 280 L CA -1.036 53.884 54.840 0.133 0.000 0.821 280 L CB 1.799 43.866 42.059 0.013 0.000 1.370 280 L HN 0.608 nan 8.230 nan 0.000 0.416 281 L N 1.489 122.918 121.223 0.344 0.000 2.490 281 L HA 0.034 4.382 4.340 0.014 0.000 0.274 281 L C -0.064 177.102 176.870 0.493 0.000 1.201 281 L CA 0.212 55.328 54.840 0.460 0.000 0.869 281 L CB 0.291 42.662 42.059 0.519 0.000 1.123 281 L HN 0.523 nan 8.230 nan 0.000 0.484 282 D N 3.695 124.376 120.400 0.468 0.000 2.522 282 D HA 0.077 4.725 4.640 0.014 0.000 0.218 282 D C 0.905 177.381 176.300 0.294 0.000 1.149 282 D CA -0.280 53.933 54.000 0.354 0.000 0.981 282 D CB 0.759 41.632 40.800 0.120 0.000 1.041 282 D HN 0.311 nan 8.370 nan 0.000 0.518 283 L N 2.715 124.169 121.223 0.385 0.000 2.093 283 L HA -0.050 4.299 4.340 0.014 0.000 0.208 283 L C 2.300 179.172 176.870 0.004 0.000 1.085 283 L CA 1.046 55.951 54.840 0.108 0.000 0.755 283 L CB -0.663 41.388 42.059 -0.014 0.000 0.904 283 L HN 0.472 nan 8.230 nan 0.000 0.435 284 R N -0.664 119.885 120.500 0.083 0.000 2.083 284 R HA -0.263 4.085 4.340 0.014 0.000 0.237 284 R C 2.441 178.823 176.300 0.137 0.000 1.137 284 R CA 1.938 58.077 56.100 0.065 0.000 0.951 284 R CB -0.507 29.879 30.300 0.143 0.000 0.851 284 R HN 0.213 nan 8.270 nan 0.000 0.434 285 F N 0.826 120.815 119.950 0.065 0.000 2.102 285 F HA -0.147 4.387 4.527 0.012 0.000 0.298 285 F C 2.186 177.966 175.800 -0.033 0.000 1.105 285 F CA 1.706 59.738 58.000 0.053 0.000 1.239 285 F CB -0.386 38.641 39.000 0.046 0.000 0.991 285 F HN 0.144 nan 8.300 nan 0.000 0.474 286 A N 0.022 122.858 122.820 0.027 0.000 1.877 286 A HA -0.205 4.123 4.320 0.014 0.000 0.216 286 A C 2.136 179.680 177.584 -0.066 0.000 1.186 286 A CA 1.650 53.571 52.037 -0.194 0.000 0.620 286 A CB -0.779 17.713 19.000 -0.847 0.000 0.822 286 A HN 0.500 nan 8.150 nan 0.000 0.443 287 Q N -0.474 119.284 119.800 -0.071 0.000 2.079 287 Q HA -0.167 4.182 4.340 0.014 0.000 0.200 287 Q C 2.078 178.057 176.000 -0.036 0.000 0.974 287 Q CA 1.916 57.695 55.803 -0.039 0.000 0.840 287 Q CB -0.392 28.305 28.738 -0.068 0.000 0.898 287 Q HN 0.621 nan 8.270 nan 0.000 0.430 288 K N 0.910 121.275 120.400 -0.059 0.000 2.103 288 K HA 0.024 4.353 4.320 0.014 0.000 0.204 288 K C 1.868 178.401 176.600 -0.112 0.000 1.052 288 K CA 1.207 57.441 56.287 -0.088 0.000 0.945 288 K CB -0.482 31.963 32.500 -0.092 0.000 0.722 288 K HN 0.126 nan 8.250 nan 0.000 0.443 289 A N 0.813 123.565 122.820 -0.115 0.000 1.978 289 A HA -0.179 4.150 4.320 0.014 0.000 0.220 289 A C 2.073 179.813 177.584 0.261 0.000 1.170 289 A CA 1.711 53.779 52.037 0.051 0.000 0.636 289 A CB -0.433 18.599 19.000 0.054 0.000 0.810 289 A HN 0.345 nan 8.150 nan 0.000 0.448 290 R N -0.856 119.763 120.500 0.198 0.000 2.093 290 R HA -0.063 4.286 4.340 0.014 0.000 0.224 290 R C 2.432 178.744 176.300 0.021 0.000 1.101 290 R CA 1.300 57.505 56.100 0.175 0.000 0.979 290 R CB -0.274 30.087 30.300 0.102 0.000 0.877 290 R HN 0.676 nan 8.270 nan 0.000 0.441 291 Q N 0.095 119.880 119.800 -0.025 0.000 2.084 291 Q HA -0.127 4.222 4.340 0.014 0.000 0.202 291 Q C 2.142 178.068 176.000 -0.124 0.000 0.978 291 Q CA 1.572 57.331 55.803 -0.072 0.000 0.844 291 Q CB 0.052 28.743 28.738 -0.079 0.000 0.898 291 Q HN 0.179 nan 8.270 nan 0.000 0.426 292 V N -0.584 119.200 119.914 -0.217 0.000 2.407 292 V HA -0.141 3.988 4.120 0.014 0.000 0.245 292 V C 1.496 177.319 176.094 -0.452 0.000 1.041 292 V CA 1.560 63.597 62.300 -0.438 0.000 1.040 292 V CB -0.303 31.067 31.823 -0.755 0.000 0.671 292 V HN 0.258 nan 8.190 nan 0.000 0.455 293 F N -0.908 119.058 119.950 0.027 0.000 2.717 293 F HA 0.258 4.793 4.527 0.014 0.000 0.295 293 F C 2.343 178.260 175.800 0.195 0.000 1.117 293 F CA 0.418 58.510 58.000 0.152 0.000 1.361 293 F CB 0.192 39.353 39.000 0.268 0.000 1.112 293 F HN -0.097 nan 8.300 nan 0.000 0.594 294 R N 0.170 120.739 120.500 0.114 0.000 2.098 294 R HA 0.035 4.383 4.340 0.014 0.000 0.203 294 R C 1.118 177.334 176.300 -0.140 0.000 1.166 294 R CA 0.844 56.795 56.100 -0.248 0.000 1.090 294 R CB 0.012 29.791 30.300 -0.869 0.000 0.992 294 R HN -0.008 nan 8.270 nan 0.000 0.477 295 D N 0.287 120.612 120.400 -0.125 0.000 2.305 295 D HA -0.048 4.600 4.640 0.014 0.000 0.206 295 D C -0.108 176.153 176.300 -0.065 0.000 0.974 295 D CA 0.473 54.416 54.000 -0.094 0.000 0.871 295 D CB -0.161 40.587 40.800 -0.087 0.000 0.947 295 D HN 0.382 nan 8.370 nan 0.000 0.516 296 N N 0.443 119.103 118.700 -0.067 0.000 2.740 296 N HA -0.195 4.554 4.740 0.014 0.000 0.248 296 N C -0.054 175.421 175.510 -0.059 0.000 1.062 296 N CA 0.623 53.634 53.050 -0.065 0.000 0.704 296 N CB -0.695 37.767 38.487 -0.042 0.000 0.968 296 N HN 0.212 nan 8.380 nan 0.000 0.547 297 T N -3.523 110.993 114.554 -0.064 0.000 3.145 297 T HA 0.258 4.616 4.350 0.014 0.000 0.255 297 T C 0.043 174.709 174.700 -0.056 0.000 1.039 297 T CA -0.138 61.931 62.100 -0.052 0.000 0.928 297 T CB 0.703 69.545 68.868 -0.045 0.000 1.029 297 T HN 0.301 nan 8.240 nan 0.000 0.554 298 D N 0.620 120.974 120.400 -0.077 0.000 2.713 298 D HA 0.326 4.975 4.640 0.014 0.000 0.306 298 D C -1.431 174.805 176.300 -0.107 0.000 1.299 298 D CA -0.591 53.363 54.000 -0.078 0.000 0.823 298 D CB 1.670 42.419 40.800 -0.085 0.000 1.353 298 D HN 0.447 nan 8.370 nan 0.000 0.447 299 N N -0.868 117.776 118.700 -0.094 0.000 3.229 299 N HA 0.218 4.966 4.740 0.014 0.000 0.315 299 N C 0.819 176.236 175.510 -0.154 0.000 1.520 299 N CA -0.650 52.333 53.050 -0.112 0.000 0.769 299 N CB 1.112 39.588 38.487 -0.018 0.000 1.766 299 N HN 0.102 nan 8.380 nan 0.000 0.618 300 M N -0.337 119.151 119.600 -0.186 0.000 2.267 300 M HA -0.076 4.412 4.480 0.014 0.000 0.263 300 M C 1.383 177.523 176.300 -0.267 0.000 1.063 300 M CA 1.506 56.650 55.300 -0.260 0.000 1.090 300 M CB -1.515 30.928 32.600 -0.262 0.000 1.392 300 M HN 0.568 nan 8.290 nan 0.000 0.422 301 Y N 0.069 120.325 120.300 -0.072 0.000 2.274 301 Y HA -0.110 4.449 4.550 0.015 0.000 0.290 301 Y C 2.574 178.441 175.900 -0.056 0.000 1.145 301 Y CA 1.319 59.387 58.100 -0.054 0.000 1.203 301 Y CB -0.829 37.600 38.460 -0.052 0.000 0.984 301 Y HN 0.324 nan 8.280 nan 0.000 0.533 302 G N -0.626 108.206 108.800 0.053 0.000 2.403 302 G HA2 -0.201 3.768 3.960 0.014 0.000 0.216 302 G HA3 -0.201 3.768 3.960 0.014 0.000 0.216 302 G C 1.557 176.430 174.900 -0.046 0.000 1.154 302 G CA 0.635 45.735 45.100 -0.001 0.000 0.784 302 G HN 0.285 nan 8.290 nan 0.000 0.538 303 L N 0.996 122.151 121.223 -0.114 0.000 1.994 303 L HA 0.010 4.358 4.340 0.014 0.000 0.208 303 L C 2.786 179.629 176.870 -0.044 0.000 1.071 303 L CA 2.590 57.346 54.840 -0.139 0.000 0.745 303 L CB -0.510 41.381 42.059 -0.279 0.000 0.892 303 L HN 0.281 nan 8.230 nan 0.000 0.431 304 K N -0.625 119.750 120.400 -0.041 0.000 2.059 304 K HA -0.275 4.053 4.320 0.014 0.000 0.212 304 K C 1.887 178.515 176.600 0.047 0.000 1.050 304 K CA 1.925 58.219 56.287 0.011 0.000 0.927 304 K CB -0.372 32.116 32.500 -0.019 0.000 0.714 304 K HN 0.440 nan 8.250 nan 0.000 0.447 305 A N 1.406 124.255 122.820 0.048 0.000 1.969 305 A HA -0.143 4.186 4.320 0.014 0.000 0.218 305 A C 2.138 179.750 177.584 0.047 0.000 1.169 305 A CA 1.467 53.535 52.037 0.052 0.000 0.635 305 A CB -0.518 18.511 19.000 0.047 0.000 0.810 305 A HN 0.535 nan 8.150 nan 0.000 0.445 306 M N -0.177 119.448 119.600 0.042 0.000 2.099 306 M HA -0.046 4.442 4.480 0.014 0.000 0.262 306 M C 1.936 178.305 176.300 0.115 0.000 1.067 306 M CA 1.663 57.003 55.300 0.067 0.000 1.124 306 M CB -0.842 31.785 32.600 0.044 0.000 1.353 306 M HN 0.409 nan 8.290 nan 0.000 0.410 307 L N 0.204 121.498 121.223 0.119 0.000 2.017 307 L HA -0.228 4.121 4.340 0.014 0.000 0.208 307 L C 2.345 179.288 176.870 0.121 0.000 1.073 307 L CA 1.589 56.517 54.840 0.147 0.000 0.745 307 L CB -0.663 41.466 42.059 0.117 0.000 0.894 307 L HN 0.350 nan 8.230 nan 0.000 0.432 308 E N -0.271 119.986 120.200 0.095 0.000 2.072 308 E HA -0.143 4.215 4.350 0.014 0.000 0.191 308 E C 2.211 178.845 176.600 0.057 0.000 0.985 308 E CA 0.997 57.446 56.400 0.080 0.000 0.801 308 E CB -0.287 29.458 29.700 0.075 0.000 0.750 308 E HN 0.552 nan 8.360 nan 0.000 0.452 309 G N 1.206 110.032 108.800 0.043 0.000 2.403 309 G HA2 -0.263 3.705 3.960 0.014 0.000 0.216 309 G HA3 -0.263 3.705 3.960 0.014 0.000 0.216 309 G C 1.758 176.644 174.900 -0.023 0.000 1.154 309 G CA 1.004 46.105 45.100 0.001 0.000 0.784 309 G HN 0.365 nan 8.290 nan 0.000 0.538 310 S N 0.338 116.067 115.700 0.049 0.000 2.402 310 S HA -0.036 4.442 4.470 0.014 0.000 0.229 310 S C 1.926 176.629 174.600 0.171 0.000 1.021 310 S CA 1.422 59.672 58.200 0.084 0.000 0.974 310 S CB -0.232 63.162 63.200 0.323 0.000 0.800 310 S HN 0.497 nan 8.310 nan 0.000 0.484 311 E N 0.444 120.732 120.200 0.148 0.000 2.209 311 E HA -0.103 4.255 4.350 0.014 0.000 0.196 311 E C 1.592 178.237 176.600 0.075 0.000 0.993 311 E CA 1.238 57.716 56.400 0.129 0.000 0.819 311 E CB -0.024 29.735 29.700 0.100 0.000 0.745 311 E HN 0.469 nan 8.360 nan 0.000 0.477 312 V N 0.565 120.488 119.914 0.016 0.000 2.795 312 V HA -0.099 4.030 4.120 0.014 0.000 0.243 312 V C 1.322 177.360 176.094 -0.093 0.000 1.069 312 V CA 1.155 63.438 62.300 -0.028 0.000 1.089 312 V CB 0.057 31.861 31.823 -0.032 0.000 0.756 312 V HN 0.169 nan 8.190 nan 0.000 0.471 313 D N -0.836 119.432 120.400 -0.221 0.000 2.183 313 D HA -0.055 4.593 4.640 0.014 0.000 0.203 313 D C 0.345 176.415 176.300 -0.384 0.000 0.969 313 D CA 0.896 54.620 54.000 -0.461 0.000 0.842 313 D CB -0.104 40.137 40.800 -0.932 0.000 0.957 313 D HN 0.396 nan 8.370 nan 0.000 0.484 314 Y N 0.360 120.602 120.300 -0.096 0.000 2.365 314 Y HA 0.373 4.932 4.550 0.014 0.000 0.340 314 Y C 1.289 177.180 175.900 -0.016 0.000 1.016 314 Y CA -0.794 57.309 58.100 0.006 0.000 1.196 314 Y CB 1.269 39.761 38.460 0.053 0.000 1.167 314 Y HN -0.165 nan 8.280 nan 0.000 0.509 315 A N 2.836 125.754 122.820 0.163 0.000 1.930 315 A HA -0.127 4.202 4.320 0.014 0.000 0.217 315 A C 0.745 178.351 177.584 0.037 0.000 1.175 315 A CA 1.091 53.164 52.037 0.059 0.000 0.627 315 A CB -0.183 18.842 19.000 0.042 0.000 0.815 315 A HN 0.764 nan 8.150 nan 0.000 0.443 316 Q N -0.920 118.933 119.800 0.088 0.000 2.788 316 Q HA 0.398 4.747 4.340 0.014 0.000 0.261 316 Q C 0.348 176.382 176.000 0.057 0.000 1.029 316 Q CA -0.127 55.722 55.803 0.076 0.000 0.848 316 Q CB 1.300 30.120 28.738 0.137 0.000 1.185 316 Q HN 0.140 nan 8.270 nan 0.000 0.482 317 V N 1.668 121.621 119.914 0.065 0.000 2.913 317 V HA -0.179 3.949 4.120 0.014 0.000 0.260 317 V C 0.857 176.918 176.094 -0.055 0.000 1.098 317 V CA 1.593 63.884 62.300 -0.015 0.000 1.121 317 V CB 0.065 31.953 31.823 0.108 0.000 0.714 317 V HN 0.687 nan 8.190 nan 0.000 0.487 318 N N 0.439 119.159 118.700 0.033 0.000 2.515 318 N HA -0.040 4.709 4.740 0.014 0.000 0.185 318 N C 0.990 176.499 175.510 -0.001 0.000 1.109 318 N CA 0.887 53.953 53.050 0.026 0.000 0.903 318 N CB -0.084 38.484 38.487 0.135 0.000 0.969 318 N HN 0.529 nan 8.380 nan 0.000 0.450 319 D N 0.070 120.484 120.400 0.023 0.000 2.369 319 D HA 0.045 4.694 4.640 0.014 0.000 0.211 319 D C -0.022 176.295 176.300 0.029 0.000 1.077 319 D CA 0.234 54.297 54.000 0.105 0.000 0.842 319 D CB 0.449 41.367 40.800 0.196 0.000 0.947 319 D HN 0.110 nan 8.370 nan 0.000 0.509 320 Q N 0.584 120.290 119.800 -0.158 0.000 2.243 320 Q HA 0.304 4.652 4.340 0.014 0.000 0.252 320 Q C -0.078 175.801 176.000 -0.202 0.000 0.909 320 Q CA -0.559 55.094 55.803 -0.250 0.000 0.922 320 Q CB 2.456 30.881 28.738 -0.521 0.000 1.215 320 Q HN -0.135 nan 8.270 nan 0.000 0.427 321 V N 3.067 122.886 119.914 -0.159 0.000 2.385 321 V HA 0.258 4.386 4.120 0.014 0.000 0.269 321 V C 0.572 176.708 176.094 0.069 0.000 1.043 321 V CA -0.423 61.796 62.300 -0.135 0.000 0.906 321 V CB 0.690 32.292 31.823 -0.369 0.000 0.995 321 V HN 0.880 nan 8.190 nan 0.000 0.467 322 T N 2.757 117.263 114.554 -0.081 0.000 2.927 322 T HA 0.896 5.255 4.350 0.014 0.000 0.281 322 T C -0.630 174.197 174.700 0.212 0.000 0.998 322 T CA -0.537 61.426 62.100 -0.228 0.000 1.019 322 T CB 1.744 70.024 68.868 -0.979 0.000 1.061 322 T HN 0.777 nan 8.240 nan 0.000 0.518 323 F N -1.273 118.765 119.950 0.146 0.000 2.829 323 F HA 0.469 5.003 4.527 0.011 0.000 0.319 323 F C -0.153 175.864 175.800 0.361 0.000 1.153 323 F CA -1.327 56.821 58.000 0.245 0.000 0.912 323 F CB 0.554 39.709 39.000 0.258 0.000 1.292 323 F HN 0.573 nan 8.300 nan 0.000 0.447 324 I N -1.623 119.194 120.570 0.411 0.000 4.181 324 I HA 0.463 4.642 4.170 0.014 0.000 0.331 324 I C -0.814 175.612 176.117 0.515 0.000 1.312 324 I CA 0.115 61.625 61.300 0.350 0.000 1.146 324 I CB 0.552 38.638 38.000 0.143 0.000 1.074 324 I HN 0.624 nan 8.210 nan 0.000 0.402 325 D N 0.590 121.345 120.400 0.592 0.000 2.671 325 D HA 0.429 5.078 4.640 0.014 0.000 0.273 325 D C -0.970 175.452 176.300 0.203 0.000 1.264 325 D CA -0.633 53.638 54.000 0.450 0.000 0.788 325 D CB 0.921 41.940 40.800 0.364 0.000 1.324 325 D HN 0.263 nan 8.370 nan 0.000 0.424 326 N N -2.397 116.166 118.700 -0.229 0.000 3.441 326 N HA 0.094 4.842 4.740 0.014 0.000 0.313 326 N C 0.833 175.731 175.510 -1.019 0.000 1.526 326 N CA -0.392 52.123 53.050 -0.891 0.000 0.871 326 N CB -0.248 37.952 38.487 -0.479 0.000 1.779 326 N HN 0.550 nan 8.380 nan 0.000 0.529 327 H N -1.660 116.907 119.070 -0.838 0.000 2.518 327 H HA 0.056 4.619 4.556 0.013 0.000 0.292 327 H C -0.598 174.680 175.328 -0.083 0.000 1.068 327 H CA 1.367 57.249 56.048 -0.276 0.000 1.275 327 H CB -0.252 29.631 29.762 0.201 0.000 1.375 327 H HN 0.511 nan 8.280 nan 0.000 0.563 328 D N 0.099 120.207 120.400 -0.486 0.000 2.462 328 D HA 0.295 4.943 4.640 0.014 0.000 0.221 328 D C 0.133 176.384 176.300 -0.082 0.000 1.173 328 D CA 0.033 53.849 54.000 -0.305 0.000 0.831 328 D CB 0.540 41.126 40.800 -0.356 0.000 1.001 328 D HN 0.341 nan 8.370 nan 0.000 0.499 329 M N 0.018 119.601 119.600 -0.029 0.000 2.575 329 M HA 0.266 4.755 4.480 0.014 0.000 0.284 329 M C -0.410 175.922 176.300 0.053 0.000 1.253 329 M CA -0.827 54.524 55.300 0.085 0.000 0.861 329 M CB 2.912 35.634 32.600 0.204 0.000 1.733 329 M HN -0.279 nan 8.290 nan 0.000 0.462 330 E N 1.752 121.991 120.200 0.066 0.000 2.415 330 E HA 0.125 4.484 4.350 0.014 0.000 0.262 330 E C -0.490 176.175 176.600 0.109 0.000 1.038 330 E CA -0.231 56.205 56.400 0.060 0.000 0.921 330 E CB 0.514 30.234 29.700 0.033 0.000 0.950 330 E HN 0.314 nan 8.360 nan 0.000 0.438 331 R N 1.477 122.054 120.500 0.128 0.000 2.697 331 R HA -0.082 4.267 4.340 0.014 0.000 0.265 331 R C 0.880 177.310 176.300 0.217 0.000 1.009 331 R CA 0.281 56.502 56.100 0.202 0.000 1.099 331 R CB 0.068 30.471 30.300 0.172 0.000 0.965 331 R HN 0.641 nan 8.270 nan 0.000 0.428 332 F N 1.950 121.999 119.950 0.165 0.000 2.128 332 F HA -0.120 4.409 4.527 0.003 0.000 0.295 332 F C 1.512 177.422 175.800 0.183 0.000 1.100 332 F CA 1.233 59.333 58.000 0.168 0.000 1.260 332 F CB -0.040 39.071 39.000 0.185 0.000 1.009 332 F HN 0.487 nan 8.300 nan 0.000 0.476 333 H N 1.150 120.455 119.070 0.392 0.000 2.683 333 H HA 0.180 4.720 4.556 -0.027 0.000 0.339 333 H C -0.484 174.932 175.328 0.146 0.000 1.081 333 H CA 0.238 56.462 56.048 0.294 0.000 1.432 333 H CB 0.770 30.723 29.762 0.318 0.000 1.462 333 H HN 0.198 nan 8.280 nan 0.000 0.557 334 T N 1.751 116.085 114.554 -0.367 0.000 2.945 334 T HA 0.241 4.600 4.350 0.014 0.000 0.286 334 T C 0.136 174.530 174.700 -0.510 0.000 1.025 334 T CA -1.097 60.816 62.100 -0.312 0.000 1.039 334 T CB 1.347 70.106 68.868 -0.181 0.000 1.068 334 T HN 0.493 nan 8.240 nan 0.000 0.497 335 S N 3.131 118.695 115.700 -0.228 0.000 2.544 335 S HA 0.064 4.543 4.470 0.014 0.000 0.290 335 S C 1.182 175.709 174.600 -0.120 0.000 1.276 335 S CA -0.092 58.030 58.200 -0.131 0.000 1.075 335 S CB -0.609 62.560 63.200 -0.052 0.000 0.849 335 S HN 1.000 nan 8.310 nan 0.000 0.494 336 N N 0.830 119.493 118.700 -0.061 0.000 2.702 336 N HA -0.188 4.561 4.740 0.014 0.000 0.255 336 N C 0.130 175.622 175.510 -0.029 0.000 0.983 336 N CA 0.475 53.519 53.050 -0.009 0.000 0.768 336 N CB -1.665 36.823 38.487 0.002 0.000 0.918 336 N HN 0.633 nan 8.380 nan 0.000 0.540 337 G N -0.461 108.282 108.800 -0.094 0.000 2.488 337 G HA2 0.308 4.276 3.960 0.014 0.000 0.318 337 G HA3 0.308 4.276 3.960 0.014 0.000 0.318 337 G C -0.679 174.303 174.900 0.138 0.000 1.188 337 G CA -0.396 44.678 45.100 -0.043 0.000 0.944 337 G HN 0.281 nan 8.290 nan 0.000 0.495 338 D N -0.524 119.969 120.400 0.154 0.000 2.339 338 D HA 0.126 4.775 4.640 0.014 0.000 0.256 338 D C 1.580 178.050 176.300 0.283 0.000 1.214 338 D CA -0.200 53.909 54.000 0.182 0.000 0.877 338 D CB 0.997 41.880 40.800 0.138 0.000 1.111 338 D HN 0.318 nan 8.370 nan 0.000 0.478 339 R N 2.546 123.171 120.500 0.207 0.000 2.152 339 R HA -0.045 4.303 4.340 0.014 0.000 0.232 339 R C 1.982 178.410 176.300 0.214 0.000 1.117 339 R CA 0.893 57.077 56.100 0.140 0.000 0.981 339 R CB 0.173 30.319 30.300 -0.257 0.000 0.870 339 R HN 0.385 nan 8.270 nan 0.000 0.451 340 R N 0.652 121.247 120.500 0.159 0.000 2.152 340 R HA -0.113 4.235 4.340 0.014 0.000 0.232 340 R C 1.840 178.246 176.300 0.177 0.000 1.117 340 R CA 1.279 57.465 56.100 0.144 0.000 0.981 340 R CB -0.059 30.308 30.300 0.112 0.000 0.870 340 R HN 0.216 nan 8.270 nan 0.000 0.451 341 K N 0.349 120.904 120.400 0.259 0.000 2.057 341 K HA -0.143 4.185 4.320 0.014 0.000 0.206 341 K C 1.998 178.783 176.600 0.308 0.000 1.050 341 K CA 0.989 57.488 56.287 0.353 0.000 0.935 341 K CB -0.192 32.591 32.500 0.471 0.000 0.715 341 K HN 0.047 nan 8.250 nan 0.000 0.439 342 L N 1.975 123.389 121.223 0.318 0.000 2.056 342 L HA -0.143 4.206 4.340 0.014 0.000 0.207 342 L C 1.696 178.506 176.870 -0.100 0.000 1.078 342 L CA 1.814 56.673 54.840 0.032 0.000 0.749 342 L CB -0.228 41.953 42.059 0.202 0.000 0.901 342 L HN 0.104 nan 8.230 nan 0.000 0.433 343 E N -0.945 119.276 120.200 0.035 0.000 2.107 343 E HA -0.211 4.148 4.350 0.014 0.000 0.191 343 E C 2.146 178.705 176.600 -0.069 0.000 0.982 343 E CA 1.226 57.626 56.400 -0.001 0.000 0.809 343 E CB -0.156 29.592 29.700 0.079 0.000 0.756 343 E HN 0.641 nan 8.360 nan 0.000 0.459 344 Q N 0.349 120.102 119.800 -0.079 0.000 2.084 344 Q HA -0.130 4.218 4.340 0.014 0.000 0.202 344 Q C 2.310 178.066 176.000 -0.406 0.000 0.978 344 Q CA 1.329 57.026 55.803 -0.176 0.000 0.844 344 Q CB -0.190 28.465 28.738 -0.139 0.000 0.898 344 Q HN 0.245 nan 8.270 nan 0.000 0.426 345 A N 0.892 123.393 122.820 -0.532 0.000 1.969 345 A HA -0.117 4.211 4.320 0.014 0.000 0.218 345 A C 2.080 179.500 177.584 -0.273 0.000 1.169 345 A CA 0.898 52.559 52.037 -0.627 0.000 0.635 345 A CB -0.532 18.023 19.000 -0.742 0.000 0.810 345 A HN 0.250 nan 8.150 nan 0.000 0.445 346 L N -0.881 120.199 121.223 -0.239 0.000 2.027 346 L HA -0.174 4.175 4.340 0.014 0.000 0.206 346 L C 3.136 179.967 176.870 -0.064 0.000 1.074 346 L CA 1.030 55.799 54.840 -0.119 0.000 0.745 346 L CB -0.559 41.431 42.059 -0.114 0.000 0.898 346 L HN 0.434 nan 8.230 nan 0.000 0.433 347 A N -0.031 122.747 122.820 -0.071 0.000 1.883 347 A HA -0.297 4.032 4.320 0.014 0.000 0.217 347 A C 2.173 179.779 177.584 0.036 0.000 1.186 347 A CA 1.804 53.820 52.037 -0.034 0.000 0.624 347 A CB -0.915 18.057 19.000 -0.046 0.000 0.822 347 A HN 0.412 nan 8.150 nan 0.000 0.444 348 F N 1.589 121.479 119.950 -0.100 0.000 2.069 348 F HA -0.181 4.353 4.527 0.012 0.000 0.298 348 F C 2.465 178.349 175.800 0.140 0.000 1.113 348 F CA 2.434 60.449 58.000 0.025 0.000 1.214 348 F CB -0.889 37.978 39.000 -0.221 0.000 0.978 348 F HN 0.221 nan 8.300 nan 0.000 0.474 349 T N 1.564 116.105 114.554 -0.022 0.000 2.746 349 T HA -0.165 4.194 4.350 0.014 0.000 0.267 349 T C 2.155 176.786 174.700 -0.115 0.000 1.039 349 T CA 1.741 63.832 62.100 -0.014 0.000 1.142 349 T CB -0.607 68.335 68.868 0.124 0.000 0.866 349 T HN 0.265 nan 8.240 nan 0.000 0.444 350 L N 1.359 122.541 121.223 -0.070 0.000 2.201 350 L HA -0.050 4.299 4.340 0.014 0.000 0.212 350 L C 2.667 179.485 176.870 -0.085 0.000 1.105 350 L CA 1.358 56.153 54.840 -0.076 0.000 0.775 350 L CB -0.750 41.274 42.059 -0.059 0.000 0.913 350 L HN 0.437 nan 8.230 nan 0.000 0.440 351 T N -5.662 108.857 114.554 -0.058 0.000 3.069 351 T HA 0.194 4.552 4.350 0.014 0.000 0.252 351 T C 0.758 175.471 174.700 0.021 0.000 1.053 351 T CA -0.306 61.794 62.100 -0.001 0.000 0.964 351 T CB 0.270 69.174 68.868 0.060 0.000 1.005 351 T HN -0.003 nan 8.240 nan 0.000 0.532 352 S N 2.338 117.952 115.700 -0.142 0.000 2.693 352 S HA 0.597 5.075 4.470 0.014 0.000 0.276 352 S C 0.378 174.861 174.600 -0.195 0.000 1.192 352 S CA -1.061 57.010 58.200 -0.215 0.000 0.994 352 S CB 0.874 63.829 63.200 -0.409 0.000 1.012 352 S HN 0.623 nan 8.310 nan 0.000 0.550 353 R N 0.748 121.155 120.500 -0.155 0.000 2.734 353 R HA 0.554 4.903 4.340 0.014 0.000 0.266 353 R C 0.577 176.738 176.300 -0.232 0.000 1.044 353 R CA 0.499 56.516 56.100 -0.139 0.000 1.128 353 R CB -1.383 28.887 30.300 -0.049 0.000 1.010 353 R HN 0.959 nan 8.270 nan 0.000 0.461 354 G N -0.184 108.498 108.800 -0.198 0.000 2.428 354 G HA2 -0.122 3.846 3.960 0.014 0.000 0.202 354 G HA3 -0.122 3.846 3.960 0.014 0.000 0.202 354 G C -1.548 173.217 174.900 -0.225 0.000 1.247 354 G CA -0.359 44.604 45.100 -0.227 0.000 1.020 354 G HN 0.687 nan 8.290 nan 0.000 0.529 355 V N 2.861 122.642 119.914 -0.221 0.000 2.349 355 V HA 0.545 4.674 4.120 0.014 0.000 0.284 355 V C -1.938 174.066 176.094 -0.150 0.000 1.014 355 V CA -0.941 61.244 62.300 -0.192 0.000 0.826 355 V CB 1.858 33.547 31.823 -0.223 0.000 1.009 355 V HN 0.699 nan 8.190 nan 0.000 0.431 356 P HA 0.370 nan 4.420 nan 0.000 0.276 356 P C -0.701 176.646 177.300 0.079 0.000 1.235 356 P CA 0.008 63.082 63.100 -0.042 0.000 0.772 356 P CB 1.609 33.273 31.700 -0.061 0.000 0.871 357 A N 4.782 127.713 122.820 0.186 0.000 2.331 357 A HA 0.667 4.995 4.320 0.014 0.000 0.320 357 A C -0.338 177.423 177.584 0.295 0.000 1.138 357 A CA -0.874 51.345 52.037 0.304 0.000 0.790 357 A CB 0.575 19.852 19.000 0.462 0.000 1.206 357 A HN 0.491 nan 8.150 nan 0.000 0.470 358 I N 2.381 123.103 120.570 0.253 0.000 2.362 358 I HA 0.192 4.371 4.170 0.014 0.000 0.289 358 I C -0.846 175.338 176.117 0.112 0.000 0.994 358 I CA -0.656 60.763 61.300 0.198 0.000 1.158 358 I CB 1.341 39.460 38.000 0.197 0.000 1.315 358 I HN 0.706 nan 8.210 nan 0.000 0.451 359 Y N 8.434 128.716 120.300 -0.030 0.000 2.465 359 Y HA 0.059 4.619 4.550 0.015 0.000 0.331 359 Y C 0.076 175.801 175.900 -0.291 0.000 1.102 359 Y CA -0.998 57.028 58.100 -0.123 0.000 1.358 359 Y CB 0.061 38.500 38.460 -0.034 0.000 1.213 359 Y HN 0.448 nan 8.280 nan 0.000 0.525 360 Y N 3.724 123.573 120.300 -0.752 0.000 2.903 360 Y HA 0.273 4.836 4.550 0.022 0.000 0.338 360 Y C 1.151 176.890 175.900 -0.269 0.000 1.265 360 Y CA -0.242 57.447 58.100 -0.685 0.000 1.532 360 Y CB -0.075 38.111 38.460 -0.457 0.000 1.293 360 Y HN 0.920 nan 8.280 nan 0.000 0.609 361 G N 1.674 110.454 108.800 -0.033 0.000 2.205 361 G HA2 -0.383 3.586 3.960 0.014 0.000 0.261 361 G HA3 -0.383 3.586 3.960 0.014 0.000 0.261 361 G C 1.174 175.991 174.900 -0.138 0.000 0.980 361 G CA 0.571 45.591 45.100 -0.133 0.000 0.632 361 G HN 0.807 nan 8.290 nan 0.000 0.533 362 S N 1.107 116.738 115.700 -0.116 0.000 2.370 362 S HA -0.135 4.344 4.470 0.014 0.000 0.226 362 S C 2.098 176.566 174.600 -0.221 0.000 1.033 362 S CA 1.858 59.999 58.200 -0.099 0.000 1.011 362 S CB -0.231 62.954 63.200 -0.025 0.000 0.852 362 S HN 0.884 nan 8.310 nan 0.000 0.457 363 E N 0.795 120.943 120.200 -0.087 0.000 2.478 363 E HA -0.093 4.265 4.350 0.014 0.000 0.198 363 E C 0.803 177.324 176.600 -0.132 0.000 1.046 363 E CA 0.679 57.011 56.400 -0.112 0.000 0.870 363 E CB -0.205 29.572 29.700 0.129 0.000 0.818 363 E HN 0.380 nan 8.360 nan 0.000 0.527 364 Q N -0.086 119.657 119.800 -0.096 0.000 2.219 364 Q HA 0.089 4.438 4.340 0.014 0.000 0.209 364 Q C -0.552 175.475 176.000 0.044 0.000 0.854 364 Q CA -0.437 55.371 55.803 0.007 0.000 0.960 364 Q CB -0.315 28.438 28.738 0.025 0.000 1.116 364 Q HN 0.343 nan 8.270 nan 0.000 0.500 365 Y N -0.764 119.528 120.300 -0.013 0.000 3.168 365 Y HA -0.279 4.305 4.550 0.057 0.000 0.207 365 Y C 0.274 176.219 175.900 0.074 0.000 1.280 365 Y CA 0.145 58.201 58.100 -0.073 0.000 1.235 365 Y CB -2.349 35.926 38.460 -0.309 0.000 1.370 365 Y HN 0.197 nan 8.280 nan 0.000 0.537 366 M N 1.136 120.794 119.600 0.097 0.000 2.246 366 M HA 0.172 4.661 4.480 0.014 0.000 0.350 366 M C 0.594 176.990 176.300 0.161 0.000 1.406 366 M CA 0.599 55.943 55.300 0.073 0.000 1.089 366 M CB 0.513 33.062 32.600 -0.085 0.000 1.782 366 M HN 0.413 nan 8.290 nan 0.000 0.457 367 S N 1.864 117.656 115.700 0.154 0.000 2.718 367 S HA 1.002 5.480 4.470 0.014 0.000 0.300 367 S C -0.032 174.602 174.600 0.057 0.000 1.117 367 S CA -0.654 57.617 58.200 0.118 0.000 1.002 367 S CB 2.115 65.358 63.200 0.070 0.000 1.092 367 S HN 1.009 nan 8.310 nan 0.000 0.542 368 G N -1.046 107.778 108.800 0.041 0.000 2.368 368 G HA2 0.488 4.457 3.960 0.014 0.000 0.303 368 G HA3 0.488 4.457 3.960 0.014 0.000 0.303 368 G C -0.358 174.558 174.900 0.027 0.000 1.590 368 G CA -0.399 44.715 45.100 0.025 0.000 0.938 368 G HN 0.969 nan 8.290 nan 0.000 0.675 369 G N -0.277 108.529 108.800 0.011 0.000 2.630 369 G HA2 0.520 4.489 3.960 0.014 0.000 0.223 369 G HA3 0.520 4.489 3.960 0.014 0.000 0.223 369 G C 0.153 175.057 174.900 0.008 0.000 1.434 369 G CA -0.598 44.506 45.100 0.006 0.000 1.057 369 G HN 0.679 nan 8.290 nan 0.000 0.570 370 N N 0.634 119.331 118.700 -0.006 0.000 2.399 370 N HA 0.095 4.844 4.740 0.014 0.000 0.250 370 N C -0.080 175.421 175.510 -0.015 0.000 1.272 370 N CA -0.288 52.752 53.050 -0.018 0.000 0.928 370 N CB 0.753 39.217 38.487 -0.038 0.000 1.158 370 N HN 0.485 nan 8.380 nan 0.000 0.463 371 D N 1.014 121.404 120.400 -0.017 0.000 3.046 371 D HA -0.118 4.530 4.640 0.014 0.000 0.213 371 D C -1.454 174.851 176.300 0.009 0.000 1.074 371 D CA -0.313 53.691 54.000 0.006 0.000 0.785 371 D CB 0.580 41.381 40.800 0.002 0.000 1.160 371 D HN 0.346 nan 8.370 nan 0.000 0.524 372 P HA 0.057 nan 4.420 nan 0.000 0.257 372 P C 0.006 177.306 177.300 0.001 0.000 1.281 372 P CA -0.007 63.119 63.100 0.043 0.000 0.826 372 P CB 0.453 32.179 31.700 0.044 0.000 1.237 373 D N 1.152 121.550 120.400 -0.002 0.000 2.348 373 D HA -0.069 4.579 4.640 0.014 0.000 0.216 373 D C 1.132 177.435 176.300 0.005 0.000 0.970 373 D CA 0.737 54.733 54.000 -0.006 0.000 0.889 373 D CB -0.206 40.591 40.800 -0.006 0.000 0.912 373 D HN 0.387 nan 8.370 nan 0.000 0.524 374 N N -0.035 118.678 118.700 0.021 0.000 2.280 374 N HA -0.013 4.736 4.740 0.014 0.000 0.192 374 N C 0.490 176.039 175.510 0.066 0.000 1.109 374 N CA 0.006 53.100 53.050 0.072 0.000 0.855 374 N CB 0.033 38.581 38.487 0.101 0.000 0.974 374 N HN -0.035 nan 8.380 nan 0.000 0.482 375 R N 0.167 120.662 120.500 -0.009 0.000 2.767 375 R HA 0.469 4.818 4.340 0.014 0.000 0.377 375 R C -0.187 176.136 176.300 0.038 0.000 1.151 375 R CA -0.288 55.793 56.100 -0.031 0.000 1.046 375 R CB 0.785 30.965 30.300 -0.199 0.000 1.404 375 R HN 0.174 nan 8.270 nan 0.000 0.580 376 A N 1.003 123.836 122.820 0.021 0.000 2.327 376 A HA 0.249 4.578 4.320 0.014 0.000 0.255 376 A C 0.062 177.704 177.584 0.098 0.000 1.099 376 A CA -0.395 51.650 52.037 0.013 0.000 0.801 376 A CB 0.300 19.289 19.000 -0.019 0.000 1.062 376 A HN 0.447 nan 8.150 nan 0.000 0.496 377 R N 0.485 121.016 120.500 0.051 0.000 2.537 377 R HA 0.293 4.642 4.340 0.014 0.000 0.280 377 R C 0.036 176.379 176.300 0.071 0.000 1.058 377 R CA -0.279 55.872 56.100 0.084 0.000 1.057 377 R CB -0.001 30.303 30.300 0.007 0.000 0.973 377 R HN 0.731 nan 8.270 nan 0.000 0.438 378 L N 4.760 126.059 121.223 0.126 0.000 2.426 378 L HA 0.369 4.718 4.340 0.014 0.000 0.271 378 L C -1.837 174.882 176.870 -0.252 0.000 1.169 378 L CA -1.244 53.565 54.840 -0.053 0.000 0.836 378 L CB 1.062 43.126 42.059 0.008 0.000 1.112 378 L HN 0.615 nan 8.230 nan 0.000 0.465 379 P HA 0.083 nan 4.420 nan 0.000 0.245 379 P C 0.124 177.274 177.300 -0.250 0.000 1.203 379 P CA 0.182 63.172 63.100 -0.184 0.000 0.792 379 P CB 0.691 32.337 31.700 -0.091 0.000 0.997 380 S N -1.031 114.433 115.700 -0.394 0.000 2.547 380 S HA 0.559 5.038 4.470 0.014 0.000 0.270 380 S C -1.534 172.724 174.600 -0.571 0.000 1.150 380 S CA -0.480 57.521 58.200 -0.331 0.000 0.850 380 S CB 0.406 63.537 63.200 -0.115 0.000 1.118 380 S HN -0.190 nan 8.310 nan 0.000 0.461 381 F N 2.149 121.981 119.950 -0.196 0.000 2.881 381 F HA 0.400 4.944 4.527 0.029 0.000 0.343 381 F C 0.981 176.757 175.800 -0.041 0.000 1.233 381 F CA -0.411 57.348 58.000 -0.402 0.000 1.262 381 F CB 0.802 39.434 39.000 -0.613 0.000 0.980 381 F HN 0.475 nan 8.300 nan 0.000 0.506 382 S N 0.503 116.282 115.700 0.131 0.000 2.516 382 S HA 0.092 4.571 4.470 0.014 0.000 0.282 382 S C 1.391 175.987 174.600 -0.008 0.000 1.286 382 S CA 0.296 58.541 58.200 0.074 0.000 1.066 382 S CB 0.413 63.642 63.200 0.049 0.000 0.884 382 S HN 0.502 nan 8.310 nan 0.000 0.491 383 T N 0.614 115.021 114.554 -0.244 0.000 3.086 383 T HA 0.080 4.438 4.350 0.014 0.000 0.250 383 T C 1.056 175.384 174.700 -0.620 0.000 1.074 383 T CA 0.425 61.960 62.100 -0.943 0.000 0.988 383 T CB -0.364 68.058 68.868 -0.744 0.000 0.988 383 T HN 0.678 nan 8.240 nan 0.000 0.530 384 T N 0.644 115.069 114.554 -0.215 0.000 3.243 384 T HA 0.260 4.618 4.350 0.014 0.000 0.264 384 T C 0.670 175.392 174.700 0.036 0.000 1.000 384 T CA -0.369 61.690 62.100 -0.068 0.000 0.901 384 T CB -0.563 68.283 68.868 -0.036 0.000 1.083 384 T HN 0.509 nan 8.240 nan 0.000 0.559 385 T N -1.141 113.474 114.554 0.101 0.000 2.904 385 T HA 0.252 4.611 4.350 0.014 0.000 0.290 385 T C 1.454 176.287 174.700 0.222 0.000 1.018 385 T CA -0.343 61.885 62.100 0.213 0.000 1.075 385 T CB 1.160 70.228 68.868 0.334 0.000 0.986 385 T HN 0.071 nan 8.240 nan 0.000 0.523 386 T N 1.933 116.624 114.554 0.228 0.000 2.759 386 T HA -0.093 4.266 4.350 0.014 0.000 0.269 386 T C 2.352 177.159 174.700 0.178 0.000 1.042 386 T CA 1.477 63.686 62.100 0.182 0.000 1.140 386 T CB -0.738 68.230 68.868 0.167 0.000 0.864 386 T HN 0.836 nan 8.240 nan 0.000 0.455 387 A N 0.176 123.121 122.820 0.208 0.000 1.930 387 A HA -0.041 4.287 4.320 0.014 0.000 0.217 387 A C 2.063 179.679 177.584 0.053 0.000 1.175 387 A CA 1.213 53.269 52.037 0.032 0.000 0.627 387 A CB -0.940 17.888 19.000 -0.288 0.000 0.815 387 A HN 0.602 nan 8.150 nan 0.000 0.443 388 Y N 0.523 120.817 120.300 -0.009 0.000 2.181 388 Y HA -0.259 4.297 4.550 0.010 0.000 0.288 388 Y C 2.589 178.478 175.900 -0.019 0.000 1.146 388 Y CA 2.333 60.424 58.100 -0.015 0.000 1.164 388 Y CB -0.189 38.278 38.460 0.011 0.000 0.982 388 Y HN 0.420 nan 8.280 nan 0.000 0.515 389 Q N -0.933 119.019 119.800 0.254 0.000 2.167 389 Q HA -0.162 4.186 4.340 0.014 0.000 0.202 389 Q C 2.277 178.301 176.000 0.040 0.000 0.970 389 Q CA 1.696 57.587 55.803 0.146 0.000 0.855 389 Q CB -0.199 28.613 28.738 0.125 0.000 0.911 389 Q HN 0.376 nan 8.270 nan 0.000 0.438 390 V N 1.085 121.012 119.914 0.022 0.000 2.295 390 V HA -0.278 3.850 4.120 0.014 0.000 0.246 390 V C 2.112 178.173 176.094 -0.056 0.000 1.049 390 V CA 1.714 64.003 62.300 -0.018 0.000 1.024 390 V CB -0.470 31.343 31.823 -0.017 0.000 0.648 390 V HN 0.342 nan 8.190 nan 0.000 0.447 391 I N -0.199 120.317 120.570 -0.090 0.000 2.179 391 I HA -0.308 3.870 4.170 0.014 0.000 0.242 391 I C 2.673 178.697 176.117 -0.155 0.000 1.088 391 I CA 1.991 63.211 61.300 -0.134 0.000 1.357 391 I CB -0.506 37.378 38.000 -0.195 0.000 1.051 391 I HN 0.372 nan 8.210 nan 0.000 0.409 392 Q N 1.573 121.264 119.800 -0.183 0.000 2.135 392 Q HA -0.250 4.099 4.340 0.014 0.000 0.204 392 Q C 2.069 178.026 176.000 -0.072 0.000 0.981 392 Q CA 1.707 57.428 55.803 -0.137 0.000 0.856 392 Q CB 0.076 28.773 28.738 -0.069 0.000 0.902 392 Q HN 0.458 nan 8.270 nan 0.000 0.425 393 K N -0.302 120.067 120.400 -0.051 0.000 2.116 393 K HA -0.004 4.325 4.320 0.014 0.000 0.203 393 K C 1.964 178.530 176.600 -0.057 0.000 1.052 393 K CA 0.901 57.162 56.287 -0.043 0.000 0.952 393 K CB 0.204 32.685 32.500 -0.032 0.000 0.729 393 K HN 0.248 nan 8.250 nan 0.000 0.446 394 L N -0.373 120.809 121.223 -0.068 0.000 2.357 394 L HA 0.128 4.477 4.340 0.014 0.000 0.211 394 L C 2.400 179.223 176.870 -0.079 0.000 1.075 394 L CA 0.242 55.038 54.840 -0.073 0.000 0.830 394 L CB -0.282 41.734 42.059 -0.071 0.000 0.996 394 L HN 0.093 nan 8.230 nan 0.000 0.467 395 A N 1.356 124.125 122.820 -0.085 0.000 1.883 395 A HA -0.122 4.206 4.320 0.014 0.000 0.217 395 A C -0.182 177.346 177.584 -0.093 0.000 1.186 395 A CA 1.682 53.666 52.037 -0.089 0.000 0.624 395 A CB -1.747 17.195 19.000 -0.097 0.000 0.822 395 A HN 0.259 nan 8.150 nan 0.000 0.444 396 P HA -0.095 nan 4.420 nan 0.000 0.222 396 P C 1.115 178.363 177.300 -0.085 0.000 1.147 396 P CA 0.683 63.735 63.100 -0.081 0.000 0.790 396 P CB -0.142 31.519 31.700 -0.065 0.000 0.780 397 L N -1.162 120.011 121.223 -0.083 0.000 2.465 397 L HA -0.046 4.303 4.340 0.014 0.000 0.224 397 L C 2.226 179.027 176.870 -0.113 0.000 1.145 397 L CA 1.012 55.802 54.840 -0.083 0.000 0.834 397 L CB -0.606 41.410 42.059 -0.071 0.000 0.944 397 L HN 0.005 nan 8.230 nan 0.000 0.451 398 R N -0.234 120.183 120.500 -0.137 0.000 2.240 398 R HA -0.023 4.326 4.340 0.014 0.000 0.203 398 R C 1.954 178.122 176.300 -0.220 0.000 1.011 398 R CA 0.347 56.329 56.100 -0.196 0.000 1.007 398 R CB 0.056 30.235 30.300 -0.203 0.000 0.911 398 R HN 0.231 nan 8.270 nan 0.000 0.468 399 K N 0.387 120.688 120.400 -0.164 0.000 2.098 399 K HA 0.017 4.345 4.320 0.014 0.000 0.203 399 K C 2.171 178.700 176.600 -0.119 0.000 1.051 399 K CA 1.510 57.708 56.287 -0.148 0.000 0.957 399 K CB -0.006 32.423 32.500 -0.118 0.000 0.738 399 K HN 0.137 nan 8.250 nan 0.000 0.447 400 S N 0.545 116.185 115.700 -0.099 0.000 2.421 400 S HA 0.016 4.495 4.470 0.014 0.000 0.224 400 S C 0.917 175.475 174.600 -0.070 0.000 1.035 400 S CA 0.082 58.237 58.200 -0.074 0.000 0.953 400 S CB -0.141 63.022 63.200 -0.060 0.000 0.810 400 S HN 0.067 nan 8.310 nan 0.000 0.497 401 N N 2.786 121.437 118.700 -0.081 0.000 2.501 401 N HA 0.364 5.113 4.740 0.014 0.000 0.245 401 N C -2.222 173.235 175.510 -0.088 0.000 0.974 401 N CA -2.274 50.741 53.050 -0.058 0.000 0.941 401 N CB 1.890 40.353 38.487 -0.041 0.000 1.122 401 N HN 0.068 nan 8.380 nan 0.000 0.507 402 P HA -0.034 nan 4.420 nan 0.000 0.230 402 P C 0.824 178.080 177.300 -0.073 0.000 1.158 402 P CA 0.460 63.499 63.100 -0.102 0.000 0.769 402 P CB 0.375 32.144 31.700 0.114 0.000 0.807 403 A N 0.512 123.379 122.820 0.079 0.000 1.902 403 A HA -0.137 4.191 4.320 0.014 0.000 0.217 403 A C 2.302 179.897 177.584 0.018 0.000 1.181 403 A CA 1.226 53.345 52.037 0.136 0.000 0.623 403 A CB -1.423 17.667 19.000 0.149 0.000 0.818 403 A HN 0.118 nan 8.150 nan 0.000 0.443 404 I N -0.393 120.148 120.570 -0.049 0.000 2.202 404 I HA -0.247 3.932 4.170 0.014 0.000 0.242 404 I C 2.954 178.942 176.117 -0.215 0.000 1.091 404 I CA 1.101 62.347 61.300 -0.091 0.000 1.368 404 I CB -0.303 37.641 38.000 -0.093 0.000 1.058 404 I HN 0.349 nan 8.210 nan 0.000 0.410 405 A N -0.308 122.280 122.820 -0.387 0.000 1.969 405 A HA -0.166 4.163 4.320 0.014 0.000 0.218 405 A C 1.700 178.817 177.584 -0.778 0.000 1.169 405 A CA 1.581 53.213 52.037 -0.674 0.000 0.635 405 A CB -0.516 17.858 19.000 -1.044 0.000 0.810 405 A HN 0.577 nan 8.150 nan 0.000 0.445 406 Y N -1.643 118.448 120.300 -0.349 0.000 2.540 406 Y HA 0.329 4.889 4.550 0.016 0.000 0.257 406 Y C 1.557 177.362 175.900 -0.159 0.000 1.090 406 Y CA -0.541 57.316 58.100 -0.405 0.000 1.242 406 Y CB 0.129 37.985 38.460 -1.007 0.000 1.325 406 Y HN 0.290 nan 8.280 nan 0.000 0.544 407 G N 1.054 109.897 108.800 0.072 0.000 2.599 407 G HA2 0.325 4.293 3.960 0.014 0.000 0.264 407 G HA3 0.325 4.293 3.960 0.014 0.000 0.264 407 G C 0.187 175.202 174.900 0.193 0.000 1.200 407 G CA -0.200 45.043 45.100 0.238 0.000 0.896 407 G HN 0.201 nan 8.290 nan 0.000 0.536 408 S N -0.881 114.948 115.700 0.214 0.000 2.596 408 S HA 0.504 4.983 4.470 0.014 0.000 0.260 408 S C 0.045 174.751 174.600 0.176 0.000 1.336 408 S CA -0.297 58.002 58.200 0.165 0.000 0.993 408 S CB 1.223 64.505 63.200 0.136 0.000 0.923 408 S HN 0.583 nan 8.310 nan 0.000 0.567 409 T N 1.298 115.954 114.554 0.171 0.000 2.824 409 T HA 0.413 4.772 4.350 0.014 0.000 0.282 409 T C -0.905 173.958 174.700 0.271 0.000 0.993 409 T CA -0.419 61.809 62.100 0.213 0.000 0.967 409 T CB 0.694 69.639 68.868 0.128 0.000 0.960 409 T HN 0.815 nan 8.240 nan 0.000 0.441 410 H N 2.195 121.379 119.070 0.190 0.000 2.906 410 H HA 0.252 4.817 4.556 0.014 0.000 0.324 410 H C -0.619 174.836 175.328 0.212 0.000 0.973 410 H CA -0.587 55.562 56.048 0.169 0.000 1.321 410 H CB 1.077 30.929 29.762 0.149 0.000 1.535 410 H HN 0.541 nan 8.280 nan 0.000 0.518 411 E N 4.605 124.922 120.200 0.195 0.000 2.324 411 E HA 0.005 4.364 4.350 0.014 0.000 0.271 411 E C 0.000 176.564 176.600 -0.060 0.000 1.028 411 E CA -0.157 56.316 56.400 0.122 0.000 0.890 411 E CB 0.652 30.419 29.700 0.112 0.000 1.004 411 E HN 0.710 nan 8.360 nan 0.000 0.431 412 R N 3.387 123.879 120.500 -0.013 0.000 2.257 412 R HA 0.135 4.483 4.340 0.014 0.000 0.195 412 R C -0.150 176.236 176.300 0.143 0.000 0.921 412 R CA 0.264 56.341 56.100 -0.038 0.000 1.069 412 R CB 0.286 30.584 30.300 -0.004 0.000 1.115 412 R HN 0.590 nan 8.270 nan 0.000 0.571 413 W N 0.116 121.418 121.300 0.003 0.000 3.256 413 W HA 0.628 5.296 4.660 0.014 0.000 0.324 413 W C -1.588 174.922 176.519 -0.014 0.000 1.196 413 W CA -0.623 56.725 57.345 0.004 0.000 1.206 413 W CB 1.332 30.804 29.460 0.019 0.000 1.385 413 W HN -0.171 nan 8.180 nan 0.000 0.522 414 I N 6.107 126.505 120.570 -0.286 0.000 2.841 414 I HA 0.439 4.618 4.170 0.014 0.000 0.298 414 I C -1.400 174.432 176.117 -0.474 0.000 1.304 414 I CA -0.528 60.630 61.300 -0.237 0.000 1.019 414 I CB 1.640 39.428 38.000 -0.353 0.000 1.282 414 I HN 0.687 nan 8.210 nan 0.000 0.432 415 N N 3.287 121.859 118.700 -0.214 0.000 3.418 415 N HA 0.369 5.118 4.740 0.014 0.000 0.316 415 N C -0.265 175.204 175.510 -0.070 0.000 1.601 415 N CA -0.649 52.339 53.050 -0.103 0.000 0.805 415 N CB 0.059 38.560 38.487 0.024 0.000 1.873 415 N HN 0.423 nan 8.380 nan 0.000 0.615 416 N N -0.523 118.223 118.700 0.076 0.000 2.094 416 N HA -0.100 4.648 4.740 0.014 0.000 0.191 416 N C -0.087 175.421 175.510 -0.004 0.000 1.023 416 N CA 1.760 54.851 53.050 0.069 0.000 0.857 416 N CB -0.171 38.364 38.487 0.080 0.000 1.013 416 N HN 0.532 nan 8.380 nan 0.000 0.426 417 D N -1.102 119.314 120.400 0.026 0.000 2.449 417 D HA 0.089 4.738 4.640 0.014 0.000 0.210 417 D C 0.012 176.341 176.300 0.049 0.000 1.094 417 D CA 0.105 54.116 54.000 0.019 0.000 0.846 417 D CB 0.855 41.681 40.800 0.044 0.000 1.003 417 D HN 0.107 nan 8.370 nan 0.000 0.504 418 V N -0.281 119.698 119.914 0.109 0.000 2.735 418 V HA 0.635 4.764 4.120 0.014 0.000 0.310 418 V C -1.111 175.093 176.094 0.183 0.000 1.061 418 V CA -0.809 61.589 62.300 0.163 0.000 0.913 418 V CB 2.865 34.801 31.823 0.188 0.000 1.005 418 V HN -0.070 nan 8.190 nan 0.000 0.428 419 I N 5.362 126.049 120.570 0.194 0.000 2.619 419 I HA 0.608 4.787 4.170 0.014 0.000 0.292 419 I C -1.380 174.910 176.117 0.290 0.000 1.100 419 I CA -0.979 60.457 61.300 0.226 0.000 1.043 419 I CB 1.965 40.078 38.000 0.189 0.000 1.239 419 I HN 0.733 nan 8.210 nan 0.000 0.420 420 I N 8.184 128.939 120.570 0.309 0.000 2.439 420 I HA 0.320 4.498 4.170 0.014 0.000 0.285 420 I C -1.254 175.015 176.117 0.253 0.000 1.021 420 I CA -0.655 60.784 61.300 0.232 0.000 1.091 420 I CB 1.372 39.535 38.000 0.272 0.000 1.242 420 I HN 0.462 nan 8.210 nan 0.000 0.439 421 Y N 3.217 123.623 120.300 0.176 0.000 2.598 421 Y HA 0.792 5.350 4.550 0.013 0.000 0.340 421 Y C -0.647 175.338 175.900 0.141 0.000 1.038 421 Y CA -1.270 56.919 58.100 0.148 0.000 1.100 421 Y CB 1.219 39.790 38.460 0.185 0.000 1.281 421 Y HN 0.494 nan 8.280 nan 0.000 0.488 422 E N 1.684 122.072 120.200 0.314 0.000 2.272 422 E HA 0.475 4.834 4.350 0.014 0.000 0.269 422 E C -1.272 175.518 176.600 0.316 0.000 0.877 422 E CA -1.156 55.383 56.400 0.231 0.000 0.755 422 E CB 1.286 31.097 29.700 0.184 0.000 1.192 422 E HN 0.646 nan 8.360 nan 0.000 0.422 423 R N 3.144 123.794 120.500 0.250 0.000 2.460 423 R HA 0.477 4.825 4.340 0.014 0.000 0.303 423 R C -0.557 175.866 176.300 0.204 0.000 0.968 423 R CA -0.755 55.482 56.100 0.228 0.000 0.889 423 R CB 1.498 31.908 30.300 0.183 0.000 1.123 423 R HN 0.391 nan 8.270 nan 0.000 0.455 424 K N 2.762 123.292 120.400 0.217 0.000 2.535 424 K HA 0.385 4.713 4.320 0.014 0.000 0.250 424 K C -1.820 174.951 176.600 0.285 0.000 0.948 424 K CA -0.636 55.780 56.287 0.215 0.000 0.796 424 K CB 1.603 34.211 32.500 0.180 0.000 1.216 424 K HN 0.473 nan 8.250 nan 0.000 0.432 425 F N 3.224 123.228 119.950 0.090 0.000 2.671 425 F HA 0.388 4.924 4.527 0.015 0.000 0.332 425 F C 0.447 176.283 175.800 0.059 0.000 1.189 425 F CA 0.716 58.766 58.000 0.083 0.000 0.988 425 F CB 1.051 40.121 39.000 0.117 0.000 1.258 425 F HN 0.857 nan 8.300 nan 0.000 0.471 426 G N 5.423 114.055 108.800 -0.279 0.000 2.596 426 G HA2 -0.364 3.604 3.960 0.014 0.000 0.304 426 G HA3 -0.364 3.604 3.960 0.014 0.000 0.304 426 G C 0.492 175.379 174.900 -0.021 0.000 1.189 426 G CA 0.486 45.458 45.100 -0.212 0.000 0.986 426 G HN 0.661 nan 8.290 nan 0.000 0.548 427 N N 2.393 121.116 118.700 0.038 0.000 2.234 427 N HA 0.112 4.860 4.740 0.014 0.000 0.227 427 N C -0.158 175.477 175.510 0.208 0.000 1.151 427 N CA -0.082 53.047 53.050 0.131 0.000 0.865 427 N CB 0.041 38.621 38.487 0.156 0.000 1.066 427 N HN 0.454 nan 8.380 nan 0.000 0.515 428 N N 0.861 119.658 118.700 0.161 0.000 2.499 428 N HA 0.268 5.016 4.740 0.014 0.000 0.281 428 N C -0.473 175.152 175.510 0.191 0.000 1.098 428 N CA 0.038 53.179 53.050 0.152 0.000 0.979 428 N CB 2.424 41.001 38.487 0.149 0.000 1.121 428 N HN -0.216 nan 8.380 nan 0.000 0.466 429 V N 0.441 120.470 119.914 0.192 0.000 2.925 429 V HA 0.797 4.925 4.120 0.014 0.000 0.311 429 V C -0.615 175.553 176.094 0.122 0.000 1.104 429 V CA -0.860 61.540 62.300 0.167 0.000 0.954 429 V CB 1.921 33.845 31.823 0.167 0.000 1.022 429 V HN 0.810 nan 8.190 nan 0.000 0.427 430 A N 2.852 125.732 122.820 0.099 0.000 2.486 430 A HA 0.934 5.263 4.320 0.014 0.000 0.300 430 A C -1.552 176.061 177.584 0.048 0.000 1.048 430 A CA -0.564 51.509 52.037 0.060 0.000 0.696 430 A CB 2.122 21.146 19.000 0.040 0.000 1.278 430 A HN 0.758 nan 8.150 nan 0.000 0.405 431 V N 1.892 121.822 119.914 0.028 0.000 2.638 431 V HA 0.592 4.721 4.120 0.014 0.000 0.306 431 V C -0.755 175.259 176.094 -0.135 0.000 1.052 431 V CA -0.525 61.792 62.300 0.028 0.000 0.885 431 V CB 1.815 33.761 31.823 0.205 0.000 0.999 431 V HN 0.758 nan 8.190 nan 0.000 0.424 432 V N 3.351 123.023 119.914 -0.404 0.000 2.531 432 V HA 0.864 4.992 4.120 0.014 0.000 0.301 432 V C 0.107 175.959 176.094 -0.403 0.000 1.034 432 V CA -0.548 61.414 62.300 -0.562 0.000 0.865 432 V CB 1.836 33.149 31.823 -0.849 0.000 0.995 432 V HN 1.006 nan 8.190 nan 0.000 0.424 433 A N 6.217 128.866 122.820 -0.285 0.000 2.318 433 A HA 0.933 5.262 4.320 0.014 0.000 0.317 433 A C -0.863 176.717 177.584 -0.005 0.000 1.159 433 A CA -0.465 51.557 52.037 -0.025 0.000 0.799 433 A CB 0.750 19.848 19.000 0.164 0.000 1.194 433 A HN 0.778 nan 8.150 nan 0.000 0.479 434 I N 2.378 123.013 120.570 0.108 0.000 2.499 434 I HA 0.261 4.440 4.170 0.014 0.000 0.288 434 I C -0.625 175.588 176.117 0.159 0.000 1.048 434 I CA -0.705 60.684 61.300 0.148 0.000 1.062 434 I CB 2.257 40.417 38.000 0.267 0.000 1.238 434 I HN 0.645 nan 8.210 nan 0.000 0.426 435 N N 5.680 124.458 118.700 0.131 0.000 2.609 435 N HA 0.215 4.964 4.740 0.014 0.000 0.234 435 N C 0.883 176.474 175.510 0.134 0.000 1.001 435 N CA -0.700 52.418 53.050 0.112 0.000 0.926 435 N CB 0.744 39.280 38.487 0.081 0.000 1.130 435 N HN 0.586 nan 8.380 nan 0.000 0.510 436 R N 1.886 122.472 120.500 0.143 0.000 2.316 436 R HA 0.047 4.395 4.340 0.014 0.000 0.202 436 R C 0.107 176.470 176.300 0.105 0.000 1.029 436 R CA 0.131 56.329 56.100 0.162 0.000 1.018 436 R CB -0.141 30.217 30.300 0.096 0.000 0.888 436 R HN 0.278 nan 8.270 nan 0.000 0.471 437 N N 1.260 120.006 118.700 0.077 0.000 2.442 437 N HA 0.003 4.752 4.740 0.014 0.000 0.265 437 N C 0.387 175.937 175.510 0.066 0.000 1.138 437 N CA -0.056 53.031 53.050 0.061 0.000 0.956 437 N CB 0.930 39.447 38.487 0.051 0.000 1.067 437 N HN 0.132 nan 8.380 nan 0.000 0.474 438 M N 2.393 122.032 119.600 0.065 0.000 2.595 438 M HA 0.029 4.517 4.480 0.014 0.000 0.248 438 M C 0.496 176.826 176.300 0.050 0.000 1.119 438 M CA 0.588 55.926 55.300 0.064 0.000 1.079 438 M CB -0.505 32.135 32.600 0.068 0.000 1.472 438 M HN 0.518 nan 8.290 nan 0.000 0.501 439 N N -0.621 118.105 118.700 0.043 0.000 2.297 439 N HA 0.072 4.820 4.740 0.014 0.000 0.208 439 N C -0.184 175.346 175.510 0.033 0.000 1.176 439 N CA 0.293 53.364 53.050 0.035 0.000 0.882 439 N CB 0.934 39.439 38.487 0.030 0.000 1.134 439 N HN 0.136 nan 8.380 nan 0.000 0.489 440 T N 3.288 117.863 114.554 0.035 0.000 2.792 440 T HA 0.407 4.766 4.350 0.014 0.000 0.280 440 T C -2.711 172.008 174.700 0.031 0.000 0.990 440 T CA -1.379 60.740 62.100 0.032 0.000 0.960 440 T CB 2.627 71.515 68.868 0.033 0.000 0.939 440 T HN -0.097 nan 8.240 nan 0.000 0.439 441 P HA 0.388 nan 4.420 nan 0.000 0.269 441 P C -1.242 176.057 177.300 -0.002 0.000 1.217 441 P CA -0.457 62.652 63.100 0.015 0.000 0.783 441 P CB 0.426 32.133 31.700 0.013 0.000 0.898 442 A N 1.352 124.149 122.820 -0.039 0.000 2.335 442 A HA 0.515 4.844 4.320 0.014 0.000 0.304 442 A C -0.372 177.082 177.584 -0.216 0.000 1.118 442 A CA -0.413 51.570 52.037 -0.091 0.000 0.757 442 A CB 0.680 19.620 19.000 -0.101 0.000 1.188 442 A HN 0.344 nan 8.150 nan 0.000 0.460 443 S N 2.970 118.555 115.700 -0.193 0.000 2.416 443 S HA 0.354 4.833 4.470 0.014 0.000 0.287 443 S C 0.022 174.344 174.600 -0.464 0.000 1.139 443 S CA -0.305 57.734 58.200 -0.268 0.000 1.058 443 S CB -0.105 63.026 63.200 -0.114 0.000 0.967 443 S HN 0.498 nan 8.310 nan 0.000 0.495 444 I N 4.073 124.128 120.570 -0.858 0.000 2.297 444 I HA 0.279 4.457 4.170 0.014 0.000 0.291 444 I C 0.362 176.087 176.117 -0.654 0.000 1.033 444 I CA -0.103 60.486 61.300 -1.185 0.000 1.253 444 I CB 0.203 37.137 38.000 -1.778 0.000 1.396 444 I HN 0.388 nan 8.210 nan 0.000 0.476 445 T N 3.844 118.245 114.554 -0.256 0.000 2.841 445 T HA 0.582 4.940 4.350 0.014 0.000 0.285 445 T C 0.678 175.490 174.700 0.187 0.000 0.991 445 T CA -0.257 61.837 62.100 -0.010 0.000 0.966 445 T CB 1.744 70.649 68.868 0.062 0.000 0.962 445 T HN 0.939 nan 8.240 nan 0.000 0.438 446 G N 2.215 111.090 108.800 0.126 0.000 2.142 446 G HA2 -0.175 3.794 3.960 0.014 0.000 0.225 446 G HA3 -0.175 3.794 3.960 0.014 0.000 0.225 446 G C -0.149 174.898 174.900 0.245 0.000 1.015 446 G CA -0.393 44.816 45.100 0.181 0.000 0.716 446 G HN 0.719 nan 8.290 nan 0.000 0.508 447 L N 1.133 122.465 121.223 0.182 0.000 2.410 447 L HA 0.655 5.003 4.340 0.014 0.000 0.273 447 L C 0.248 177.192 176.870 0.123 0.000 1.144 447 L CA -0.383 54.574 54.840 0.195 0.000 0.863 447 L CB 1.360 43.496 42.059 0.128 0.000 1.140 447 L HN 0.097 nan 8.230 nan 0.000 0.463 448 V N 4.966 124.947 119.914 0.112 0.000 2.513 448 V HA 0.714 4.843 4.120 0.014 0.000 0.299 448 V C 0.315 176.438 176.094 0.048 0.000 1.035 448 V CA -0.021 62.318 62.300 0.066 0.000 0.889 448 V CB 1.821 33.686 31.823 0.069 0.000 0.988 448 V HN 1.000 nan 8.190 nan 0.000 0.440 449 T N 0.521 115.088 114.554 0.022 0.000 2.858 449 T HA 0.388 4.747 4.350 0.014 0.000 0.285 449 T C 0.409 175.121 174.700 0.019 0.000 1.052 449 T CA -0.485 61.623 62.100 0.013 0.000 1.009 449 T CB 1.895 70.737 68.868 -0.043 0.000 1.241 449 T HN 0.321 nan 8.240 nan 0.000 0.542 450 S N 0.074 115.792 115.700 0.030 0.000 2.597 450 S HA 0.315 4.794 4.470 0.014 0.000 0.224 450 S C 0.542 175.118 174.600 -0.040 0.000 0.955 450 S CA -0.505 57.710 58.200 0.026 0.000 0.933 450 S CB -0.675 62.571 63.200 0.075 0.000 0.788 450 S HN 0.459 nan 8.310 nan 0.000 0.488 451 L N 2.700 123.858 121.223 -0.109 0.000 2.426 451 L HA 0.257 4.605 4.340 0.014 0.000 0.271 451 L C -2.292 174.489 176.870 -0.149 0.000 1.169 451 L CA -2.032 52.678 54.840 -0.217 0.000 0.836 451 L CB 0.026 41.789 42.059 -0.493 0.000 1.112 451 L HN -0.062 nan 8.230 nan 0.000 0.465 452 P HA -0.007 nan 4.420 nan 0.000 0.269 452 P C -0.741 176.560 177.300 0.001 0.000 1.217 452 P CA -0.390 62.607 63.100 -0.172 0.000 0.783 452 P CB 0.389 31.847 31.700 -0.404 0.000 0.898 453 R N 1.331 121.816 120.500 -0.025 0.000 2.585 453 R HA 0.411 4.760 4.340 0.014 0.000 0.275 453 R C 0.305 176.586 176.300 -0.031 0.000 1.018 453 R CA 0.984 57.081 56.100 -0.005 0.000 1.072 453 R CB -0.624 29.660 30.300 -0.027 0.000 0.953 453 R HN 0.758 nan 8.270 nan 0.000 0.419 454 G N 1.184 109.952 108.800 -0.053 0.000 2.356 454 G HA2 0.154 4.123 3.960 0.014 0.000 0.288 454 G HA3 0.154 4.123 3.960 0.014 0.000 0.288 454 G C -1.621 173.097 174.900 -0.303 0.000 1.302 454 G CA -0.674 44.294 45.100 -0.221 0.000 0.887 454 G HN 0.584 nan 8.290 nan 0.000 0.521 455 S N -0.593 114.822 115.700 -0.475 0.000 2.502 455 S HA 0.735 5.213 4.470 0.014 0.000 0.304 455 S C -1.613 172.663 174.600 -0.540 0.000 1.097 455 S CA -0.319 57.668 58.200 -0.355 0.000 1.045 455 S CB 1.213 64.295 63.200 -0.196 0.000 1.019 455 S HN 0.478 nan 8.310 nan 0.000 0.481 456 Y N 2.007 122.236 120.300 -0.118 0.000 2.331 456 Y HA 0.364 4.923 4.550 0.014 0.000 0.334 456 Y C 0.605 176.562 175.900 0.096 0.000 0.960 456 Y CA -1.019 57.076 58.100 -0.008 0.000 1.130 456 Y CB 0.972 39.403 38.460 -0.048 0.000 1.164 456 Y HN 0.538 nan 8.280 nan 0.000 0.458 457 N N 2.075 120.921 118.700 0.243 0.000 2.518 457 N HA -0.038 4.710 4.740 0.014 0.000 0.266 457 N C -0.662 175.064 175.510 0.360 0.000 1.196 457 N CA -0.120 53.066 53.050 0.228 0.000 0.947 457 N CB 0.808 39.371 38.487 0.127 0.000 1.098 457 N HN 0.701 nan 8.380 nan 0.000 0.450 458 D N 1.210 121.780 120.400 0.282 0.000 2.434 458 D HA -0.030 4.618 4.640 0.014 0.000 0.252 458 D C 1.099 177.395 176.300 -0.008 0.000 1.185 458 D CA -0.135 53.878 54.000 0.021 0.000 0.886 458 D CB 0.763 41.540 40.800 -0.039 0.000 1.148 458 D HN 0.144 nan 8.370 nan 0.000 0.483 459 V N 4.462 124.343 119.914 -0.056 0.000 2.568 459 V HA -0.233 3.895 4.120 0.014 0.000 0.253 459 V C 2.202 178.266 176.094 -0.050 0.000 1.072 459 V CA 1.342 63.622 62.300 -0.034 0.000 1.084 459 V CB -0.504 31.289 31.823 -0.050 0.000 0.676 459 V HN 0.651 nan 8.190 nan 0.000 0.469 460 L N 0.452 121.623 121.223 -0.087 0.000 2.610 460 L HA 0.179 4.528 4.340 0.014 0.000 0.232 460 L C 1.764 178.617 176.870 -0.028 0.000 1.149 460 L CA 0.778 55.581 54.840 -0.062 0.000 0.872 460 L CB -0.802 41.205 42.059 -0.088 0.000 0.992 460 L HN 0.538 nan 8.230 nan 0.000 0.447 461 G N 0.063 108.856 108.800 -0.013 0.000 2.225 461 G HA2 -0.277 3.692 3.960 0.014 0.000 0.267 461 G HA3 -0.277 3.692 3.960 0.014 0.000 0.267 461 G C 0.994 175.901 174.900 0.011 0.000 1.024 461 G CA 0.373 45.478 45.100 0.008 0.000 0.784 461 G HN 0.693 nan 8.290 nan 0.000 0.507 462 G N -0.767 108.035 108.800 0.003 0.000 2.155 462 G HA2 -0.296 3.672 3.960 0.014 0.000 0.257 462 G HA3 -0.296 3.672 3.960 0.014 0.000 0.257 462 G C 1.288 176.194 174.900 0.010 0.000 0.983 462 G CA 1.158 46.265 45.100 0.012 0.000 0.676 462 G HN 1.979 nan 8.290 nan 0.000 0.528 463 I N -2.487 118.086 120.570 0.006 0.000 2.676 463 I HA 0.274 4.453 4.170 0.014 0.000 0.259 463 I C 1.586 177.713 176.117 0.017 0.000 1.194 463 I CA 0.967 62.277 61.300 0.016 0.000 1.473 463 I CB -0.122 37.891 38.000 0.023 0.000 1.096 463 I HN 0.169 nan 8.210 nan 0.000 0.443 464 L N 2.600 123.824 121.223 0.003 0.000 3.073 464 L HA 0.335 4.684 4.340 0.014 0.000 0.242 464 L C -0.111 176.765 176.870 0.010 0.000 1.317 464 L CA -0.241 54.603 54.840 0.008 0.000 1.081 464 L CB -0.612 41.443 42.059 -0.007 0.000 1.456 464 L HN 0.286 nan 8.230 nan 0.000 0.525 465 N N 0.358 119.070 118.700 0.019 0.000 2.747 465 N HA -0.142 4.606 4.740 0.014 0.000 0.249 465 N C 0.513 176.046 175.510 0.039 0.000 1.107 465 N CA 0.953 54.023 53.050 0.033 0.000 0.707 465 N CB -0.999 37.514 38.487 0.042 0.000 1.054 465 N HN 0.612 nan 8.380 nan 0.000 0.555 466 G N -0.055 108.754 108.800 0.015 0.000 2.557 466 G HA2 0.556 4.525 3.960 0.014 0.000 0.292 466 G HA3 0.556 4.525 3.960 0.014 0.000 0.292 466 G C 0.320 175.267 174.900 0.077 0.000 1.237 466 G CA -0.003 45.106 45.100 0.014 0.000 0.978 466 G HN 0.530 nan 8.290 nan 0.000 0.498 467 N N -2.588 116.208 118.700 0.159 0.000 2.853 467 N HA 0.462 5.211 4.740 0.014 0.000 0.258 467 N C -0.994 174.700 175.510 0.305 0.000 1.444 467 N CA -0.802 52.352 53.050 0.174 0.000 0.837 467 N CB 1.286 39.855 38.487 0.137 0.000 1.489 467 N HN 0.336 nan 8.380 nan 0.000 0.529 468 T N 0.861 115.495 114.554 0.134 0.000 2.832 468 T HA 0.298 4.657 4.350 0.014 0.000 0.296 468 T C -0.544 174.006 174.700 -0.251 0.000 0.968 468 T CA -0.196 61.937 62.100 0.055 0.000 1.107 468 T CB 0.231 69.102 68.868 0.005 0.000 0.916 468 T HN 0.380 nan 8.240 nan 0.000 0.517 469 L N 3.801 124.683 121.223 -0.568 0.000 2.289 469 L HA 0.463 4.812 4.340 0.014 0.000 0.285 469 L C 0.065 176.710 176.870 -0.375 0.000 1.049 469 L CA 0.110 54.410 54.840 -0.901 0.000 0.804 469 L CB 1.391 42.468 42.059 -1.637 0.000 1.195 469 L HN 0.599 nan 8.230 nan 0.000 0.428 470 T N 4.392 118.777 114.554 -0.281 0.000 2.770 470 T HA 0.570 4.928 4.350 0.014 0.000 0.283 470 T C -0.580 174.062 174.700 -0.097 0.000 0.988 470 T CA -0.372 61.648 62.100 -0.132 0.000 0.957 470 T CB 1.212 70.019 68.868 -0.101 0.000 0.930 470 T HN 0.305 nan 8.240 nan 0.000 0.443 471 V N 3.016 122.919 119.914 -0.018 0.000 2.483 471 V HA 0.772 4.901 4.120 0.014 0.000 0.295 471 V C 0.856 176.946 176.094 -0.006 0.000 1.035 471 V CA -0.417 61.879 62.300 -0.007 0.000 0.896 471 V CB 1.775 33.633 31.823 0.059 0.000 0.986 471 V HN 1.008 nan 8.190 nan 0.000 0.447 472 G N 2.184 110.976 108.800 -0.012 0.000 2.940 472 G HA2 0.681 4.649 3.960 0.014 0.000 0.164 472 G HA3 0.681 4.649 3.960 0.014 0.000 0.164 472 G C -0.043 174.851 174.900 -0.009 0.000 1.326 472 G CA -0.124 44.969 45.100 -0.012 0.000 1.020 472 G HN 1.021 nan 8.290 nan 0.000 0.586 473 A N -1.705 121.111 122.820 -0.007 0.000 2.425 473 A HA 0.526 4.854 4.320 0.014 0.000 0.249 473 A C 1.423 179.006 177.584 -0.001 0.000 1.084 473 A CA 1.071 53.104 52.037 -0.006 0.000 0.781 473 A CB -0.245 18.753 19.000 -0.003 0.000 1.019 473 A HN 2.474 nan 8.150 nan 0.000 0.490 474 G N 0.354 109.153 108.800 -0.002 0.000 2.148 474 G HA2 0.139 4.107 3.960 0.014 0.000 0.254 474 G HA3 0.139 4.107 3.960 0.014 0.000 0.254 474 G C 1.635 176.538 174.900 0.006 0.000 0.981 474 G CA 1.044 46.147 45.100 0.005 0.000 0.670 474 G HN 2.800 nan 8.290 nan 0.000 0.528 475 G N -1.446 107.351 108.800 -0.006 0.000 2.162 475 G HA2 0.170 4.139 3.960 0.014 0.000 0.260 475 G HA3 0.170 4.139 3.960 0.014 0.000 0.260 475 G C 0.755 175.649 174.900 -0.008 0.000 0.976 475 G CA 1.220 46.312 45.100 -0.013 0.000 0.655 475 G HN 2.334 nan 8.290 nan 0.000 0.533 476 A N -0.013 122.809 122.820 0.003 0.000 2.366 476 A HA 0.852 5.181 4.320 0.014 0.000 0.272 476 A C 0.735 178.319 177.584 -0.000 0.000 1.135 476 A CA 0.941 52.986 52.037 0.014 0.000 0.804 476 A CB 0.696 19.709 19.000 0.021 0.000 1.064 476 A HN 2.023 nan 8.150 nan 0.000 0.499 477 A N 2.641 125.463 122.820 0.004 0.000 2.295 477 A HA 0.656 4.984 4.320 0.014 0.000 0.318 477 A C 0.713 178.314 177.584 0.030 0.000 1.134 477 A CA -0.412 51.615 52.037 -0.017 0.000 0.827 477 A CB 0.252 19.221 19.000 -0.053 0.000 1.136 477 A HN 0.955 nan 8.150 nan 0.000 0.493 478 S N 0.852 116.561 115.700 0.016 0.000 2.576 478 S HA 0.036 4.515 4.470 0.014 0.000 0.272 478 S C 0.402 175.079 174.600 0.129 0.000 1.352 478 S CA -0.180 58.047 58.200 0.046 0.000 1.021 478 S CB -0.048 63.163 63.200 0.018 0.000 0.887 478 S HN 0.746 nan 8.310 nan 0.000 0.542 479 N N 1.137 119.884 118.700 0.078 0.000 2.492 479 N HA 0.447 5.195 4.740 0.014 0.000 0.260 479 N C -0.594 174.993 175.510 0.128 0.000 1.215 479 N CA 0.020 53.086 53.050 0.027 0.000 0.923 479 N CB 0.275 38.748 38.487 -0.023 0.000 1.092 479 N HN 0.567 nan 8.380 nan 0.000 0.448 480 F N -2.009 117.882 119.950 -0.098 0.000 2.662 480 F HA 0.526 5.061 4.527 0.013 0.000 0.312 480 F C -0.845 174.907 175.800 -0.081 0.000 1.113 480 F CA -1.106 56.849 58.000 -0.076 0.000 0.951 480 F CB 1.206 40.161 39.000 -0.076 0.000 1.344 480 F HN 0.048 nan 8.300 nan 0.000 0.462 481 T N 3.161 117.765 114.554 0.083 0.000 2.758 481 T HA 0.465 4.824 4.350 0.014 0.000 0.285 481 T C -1.112 173.680 174.700 0.154 0.000 0.981 481 T CA -0.343 61.747 62.100 -0.017 0.000 0.965 481 T CB 1.095 69.973 68.868 0.018 0.000 0.927 481 T HN 0.634 nan 8.240 nan 0.000 0.448 482 L N 4.797 126.044 121.223 0.039 0.000 2.278 482 L HA 0.658 5.006 4.340 0.014 0.000 0.287 482 L C 0.574 177.494 176.870 0.083 0.000 1.072 482 L CA -0.513 54.422 54.840 0.157 0.000 0.819 482 L CB -0.327 41.782 42.059 0.084 0.000 1.176 482 L HN 0.768 nan 8.230 nan 0.000 0.435 483 A N 7.146 130.027 122.820 0.103 0.000 2.536 483 A HA 0.363 4.691 4.320 0.014 0.000 0.234 483 A C -2.228 175.391 177.584 0.059 0.000 1.076 483 A CA -0.727 51.352 52.037 0.071 0.000 0.769 483 A CB -0.953 18.089 19.000 0.070 0.000 1.020 483 A HN 0.708 nan 8.150 nan 0.000 0.508 484 P HA 0.238 nan 4.420 nan 0.000 0.263 484 P C 0.891 178.227 177.300 0.060 0.000 1.195 484 P CA 1.787 64.918 63.100 0.053 0.000 0.762 484 P CB 0.440 32.167 31.700 0.045 0.000 0.799 485 G N 2.433 111.276 108.800 0.072 0.000 2.155 485 G HA2 -0.203 3.765 3.960 0.014 0.000 0.257 485 G HA3 -0.203 3.765 3.960 0.014 0.000 0.257 485 G C 0.624 175.566 174.900 0.071 0.000 0.983 485 G CA -0.152 44.997 45.100 0.081 0.000 0.676 485 G HN 0.882 nan 8.290 nan 0.000 0.528 486 G N -0.142 108.699 108.800 0.069 0.000 2.343 486 G HA2 0.530 4.498 3.960 0.014 0.000 0.254 486 G HA3 0.530 4.498 3.960 0.014 0.000 0.254 486 G C 0.021 174.945 174.900 0.040 0.000 1.277 486 G CA 0.949 46.085 45.100 0.059 0.000 0.909 486 G HN 0.720 nan 8.290 nan 0.000 0.502 487 T N 0.671 115.221 114.554 -0.007 0.000 2.879 487 T HA 0.686 5.044 4.350 0.014 0.000 0.290 487 T C -0.205 174.392 174.700 -0.172 0.000 0.993 487 T CA -0.149 61.911 62.100 -0.066 0.000 0.975 487 T CB 1.858 70.699 68.868 -0.046 0.000 0.981 487 T HN 1.027 nan 8.240 nan 0.000 0.439 488 A N 2.432 125.038 122.820 -0.357 0.000 2.449 488 A HA 0.878 5.206 4.320 0.014 0.000 0.302 488 A C -1.231 175.740 177.584 -1.021 0.000 1.048 488 A CA -0.725 50.904 52.037 -0.679 0.000 0.708 488 A CB 1.602 20.132 19.000 -0.784 0.000 1.274 488 A HN 0.669 nan 8.150 nan 0.000 0.410 489 V N 2.310 121.644 119.914 -0.967 0.000 2.577 489 V HA 0.611 4.740 4.120 0.014 0.000 0.303 489 V C -1.137 174.555 176.094 -0.671 0.000 1.042 489 V CA -0.498 61.391 62.300 -0.686 0.000 0.872 489 V CB 1.537 33.164 31.823 -0.326 0.000 0.998 489 V HN 0.849 nan 8.190 nan 0.000 0.423 490 W N 3.618 124.867 121.300 -0.085 0.000 2.936 490 W HA 0.758 5.428 4.660 0.018 0.000 0.338 490 W C -0.369 176.095 176.519 -0.092 0.000 1.121 490 W CA -0.642 56.659 57.345 -0.073 0.000 1.209 490 W CB 2.200 31.568 29.460 -0.153 0.000 1.420 490 W HN 0.722 nan 8.180 nan 0.000 0.516 491 Q N 0.969 120.886 119.800 0.195 0.000 2.565 491 Q HA 0.666 5.014 4.340 0.014 0.000 0.294 491 Q C -2.237 173.915 176.000 0.253 0.000 1.005 491 Q CA -1.124 54.761 55.803 0.137 0.000 0.771 491 Q CB 3.375 32.170 28.738 0.095 0.000 1.486 491 Q HN 0.347 nan 8.270 nan 0.000 0.422 492 Y N 0.907 121.254 120.300 0.079 0.000 2.330 492 Y HA 0.487 5.046 4.550 0.014 0.000 0.324 492 Y C -1.581 174.376 175.900 0.095 0.000 1.093 492 Y CA -0.200 57.981 58.100 0.135 0.000 1.103 492 Y CB 2.065 40.597 38.460 0.120 0.000 1.183 492 Y HN 0.893 nan 8.280 nan 0.000 0.433 493 T N 1.738 115.942 114.554 -0.584 0.000 2.925 493 T HA 0.811 5.170 4.350 0.014 0.000 0.285 493 T C -0.470 173.801 174.700 -0.714 0.000 1.021 493 T CA -0.720 61.109 62.100 -0.452 0.000 1.042 493 T CB 2.084 70.829 68.868 -0.204 0.000 1.037 493 T HN 0.666 nan 8.240 nan 0.000 0.481 494 T N 0.569 114.913 114.554 -0.351 0.000 2.840 494 T HA 0.398 4.756 4.350 0.014 0.000 0.317 494 T C -1.662 172.999 174.700 -0.064 0.000 1.401 494 T CA -0.648 61.333 62.100 -0.199 0.000 1.028 494 T CB 1.651 70.479 68.868 -0.068 0.000 1.317 494 T HN 0.710 nan 8.240 nan 0.000 0.495 495 D N 1.673 122.052 120.400 -0.034 0.000 2.372 495 D HA 0.540 5.189 4.640 0.014 0.000 0.243 495 D C -0.127 176.166 176.300 -0.012 0.000 1.121 495 D CA 0.151 54.139 54.000 -0.020 0.000 0.898 495 D CB 1.137 41.929 40.800 -0.013 0.000 1.202 495 D HN 0.675 nan 8.370 nan 0.000 0.428 496 A N 0.771 123.573 122.820 -0.030 0.000 2.292 496 A HA 0.446 4.775 4.320 0.014 0.000 0.319 496 A C 1.038 178.600 177.584 -0.037 0.000 1.206 496 A CA -0.497 51.509 52.037 -0.051 0.000 0.835 496 A CB 0.534 19.467 19.000 -0.111 0.000 1.164 496 A HN 0.573 nan 8.150 nan 0.000 0.505 497 T N -0.793 113.748 114.554 -0.022 0.000 3.044 497 T HA 0.110 4.469 4.350 0.014 0.000 0.255 497 T C 0.765 175.470 174.700 0.007 0.000 1.073 497 T CA 1.087 63.187 62.100 0.000 0.000 1.125 497 T CB -0.449 68.424 68.868 0.008 0.000 0.908 497 T HN 0.720 nan 8.240 nan 0.000 0.480 498 T N 2.133 116.677 114.554 -0.017 0.000 2.859 498 T HA 0.548 4.907 4.350 0.014 0.000 0.281 498 T C -3.094 171.593 174.700 -0.021 0.000 1.005 498 T CA -2.308 59.790 62.100 -0.002 0.000 1.025 498 T CB 1.670 70.528 68.868 -0.017 0.000 0.977 498 T HN -0.037 nan 8.240 nan 0.000 0.458 499 P HA 0.357 nan 4.420 nan 0.000 0.267 499 P C -0.963 176.337 177.300 -0.000 0.000 1.205 499 P CA -0.204 62.958 63.100 0.103 0.000 0.765 499 P CB 0.318 32.215 31.700 0.328 0.000 0.828 500 I N 3.851 124.342 120.570 -0.132 0.000 2.512 500 I HA 0.347 4.525 4.170 0.014 0.000 0.287 500 I C 0.277 176.402 176.117 0.014 0.000 1.069 500 I CA -0.762 60.428 61.300 -0.183 0.000 1.056 500 I CB 1.968 39.562 38.000 -0.677 0.000 1.229 500 I HN 0.143 nan 8.210 nan 0.000 0.429 501 I N 4.963 125.646 120.570 0.188 0.000 2.352 501 I HA 0.274 4.453 4.170 0.014 0.000 0.290 501 I C 1.214 177.459 176.117 0.213 0.000 1.036 501 I CA 0.259 61.683 61.300 0.207 0.000 1.336 501 I CB 1.390 39.473 38.000 0.137 0.000 1.407 501 I HN 0.873 nan 8.210 nan 0.000 0.497 502 G N 5.198 113.934 108.800 -0.107 0.000 2.709 502 G HA2 0.087 4.056 3.960 0.014 0.000 0.208 502 G HA3 0.087 4.056 3.960 0.014 0.000 0.208 502 G C 0.270 175.025 174.900 -0.242 0.000 1.129 502 G CA 0.079 44.930 45.100 -0.415 0.000 0.793 502 G HN 0.657 nan 8.290 nan 0.000 0.524 503 N N -1.720 116.743 118.700 -0.394 0.000 2.935 503 N HA 0.421 5.169 4.740 0.014 0.000 0.248 503 N C -2.207 172.983 175.510 -0.533 0.000 1.276 503 N CA -0.554 52.319 53.050 -0.295 0.000 0.906 503 N CB 2.276 40.773 38.487 0.017 0.000 1.564 503 N HN -0.146 nan 8.380 nan 0.000 0.500 504 V N 0.760 120.366 119.914 -0.513 0.000 2.686 504 V HA 0.864 4.993 4.120 0.014 0.000 0.306 504 V C -0.115 175.971 176.094 -0.014 0.000 1.065 504 V CA -0.411 61.697 62.300 -0.321 0.000 0.894 504 V CB 1.574 33.160 31.823 -0.395 0.000 1.004 504 V HN 0.801 nan 8.190 nan 0.000 0.424 505 G N 4.617 113.445 108.800 0.048 0.000 2.719 505 G HA2 0.740 4.708 3.960 0.014 0.000 0.298 505 G HA3 0.740 4.708 3.960 0.014 0.000 0.298 505 G C -3.225 171.753 174.900 0.130 0.000 1.411 505 G CA -1.348 43.827 45.100 0.124 0.000 0.991 505 G HN 0.489 nan 8.290 nan 0.000 0.509 506 P HA 0.126 nan 4.420 nan 0.000 0.273 506 P C 0.265 177.673 177.300 0.180 0.000 1.250 506 P CA -0.237 62.938 63.100 0.125 0.000 0.793 506 P CB 1.174 32.908 31.700 0.058 0.000 1.011 507 M N -0.119 119.491 119.600 0.016 0.000 2.383 507 M HA 0.282 4.771 4.480 0.014 0.000 0.247 507 M C 0.524 176.436 176.300 -0.645 0.000 1.117 507 M CA 0.307 55.512 55.300 -0.159 0.000 0.995 507 M CB -0.653 31.944 32.600 -0.005 0.000 1.480 507 M HN 0.455 nan 8.290 nan 0.000 0.485 508 M N 0.822 120.137 119.600 -0.475 0.000 2.265 508 M HA 0.579 5.068 4.480 0.014 0.000 0.262 508 M C -2.116 174.049 176.300 -0.226 0.000 1.026 508 M CA -0.188 54.861 55.300 -0.418 0.000 0.987 508 M CB 1.922 34.367 32.600 -0.259 0.000 1.937 508 M HN 0.040 nan 8.290 nan 0.000 0.481 509 A N 3.725 126.454 122.820 -0.152 0.000 2.567 509 A HA 0.640 4.968 4.320 0.014 0.000 0.291 509 A C -1.870 175.721 177.584 0.011 0.000 1.048 509 A CA -0.977 51.043 52.037 -0.028 0.000 0.661 509 A CB 1.616 20.650 19.000 0.056 0.000 1.288 509 A HN 0.855 nan 8.150 nan 0.000 0.424 510 K N 0.083 120.483 120.400 -0.000 0.000 2.109 510 K HA 0.682 5.010 4.320 0.014 0.000 0.243 510 K C -2.733 173.852 176.600 -0.026 0.000 1.006 510 K CA -1.741 54.542 56.287 -0.007 0.000 0.917 510 K CB 0.234 32.725 32.500 -0.014 0.000 1.081 510 K HN 0.250 nan 8.250 nan 0.000 0.468 511 P HA -0.084 nan 4.420 nan 0.000 0.261 511 P C 0.411 177.658 177.300 -0.089 0.000 1.173 511 P CA 1.637 64.671 63.100 -0.109 0.000 0.760 511 P CB 0.424 32.062 31.700 -0.104 0.000 0.783 512 G N 1.102 109.834 108.800 -0.114 0.000 2.259 512 G HA2 -0.199 3.769 3.960 0.014 0.000 0.217 512 G HA3 -0.199 3.769 3.960 0.014 0.000 0.217 512 G C 0.097 174.955 174.900 -0.070 0.000 1.001 512 G CA -0.228 44.820 45.100 -0.086 0.000 0.627 512 G HN 0.527 nan 8.290 nan 0.000 0.501 513 V N 2.218 122.098 119.914 -0.055 0.000 2.686 513 V HA 0.503 4.632 4.120 0.014 0.000 0.295 513 V C 0.931 177.006 176.094 -0.031 0.000 1.055 513 V CA 0.482 62.763 62.300 -0.031 0.000 1.050 513 V CB 1.504 33.328 31.823 0.002 0.000 0.984 513 V HN 0.295 nan 8.190 nan 0.000 0.482 514 T N 6.369 120.906 114.554 -0.028 0.000 2.749 514 T HA 0.514 4.872 4.350 0.014 0.000 0.295 514 T C -0.034 174.669 174.700 0.006 0.000 0.936 514 T CA 0.020 62.105 62.100 -0.025 0.000 1.060 514 T CB 0.108 68.953 68.868 -0.038 0.000 0.904 514 T HN 0.580 nan 8.240 nan 0.000 0.500 515 I N 0.280 120.862 120.570 0.020 0.000 2.707 515 I HA 0.688 4.866 4.170 0.014 0.000 0.309 515 I C -0.151 175.950 176.117 -0.027 0.000 1.001 515 I CA -0.787 60.539 61.300 0.044 0.000 1.129 515 I CB 1.722 39.790 38.000 0.113 0.000 1.308 515 I HN 0.278 nan 8.210 nan 0.000 0.466 516 T N 5.578 120.112 114.554 -0.032 0.000 2.758 516 T HA 0.570 4.929 4.350 0.014 0.000 0.285 516 T C -0.133 174.486 174.700 -0.135 0.000 0.981 516 T CA -0.189 61.862 62.100 -0.082 0.000 0.965 516 T CB 0.695 69.535 68.868 -0.047 0.000 0.927 516 T HN 0.360 nan 8.240 nan 0.000 0.448 517 I N 3.822 124.262 120.570 -0.217 0.000 2.355 517 I HA 0.347 4.526 4.170 0.014 0.000 0.288 517 I C -0.339 175.676 176.117 -0.171 0.000 0.999 517 I CA -0.776 60.351 61.300 -0.289 0.000 1.163 517 I CB 1.245 38.971 38.000 -0.456 0.000 1.316 517 I HN 0.469 nan 8.210 nan 0.000 0.454 518 D N 4.652 124.969 120.400 -0.137 0.000 2.269 518 D HA 0.784 5.433 4.640 0.014 0.000 0.244 518 D C 0.256 176.437 176.300 -0.199 0.000 0.992 518 D CA -0.062 53.888 54.000 -0.083 0.000 0.894 518 D CB 2.637 43.353 40.800 -0.140 0.000 1.248 518 D HN 0.766 nan 8.370 nan 0.000 0.468 519 G N 0.246 108.870 108.800 -0.294 0.000 2.441 519 G HA2 0.290 4.259 3.960 0.014 0.000 0.225 519 G HA3 0.290 4.259 3.960 0.014 0.000 0.225 519 G C -1.344 173.259 174.900 -0.496 0.000 1.200 519 G CA -0.603 44.223 45.100 -0.457 0.000 0.947 519 G HN 0.289 nan 8.290 nan 0.000 0.484 520 R N -0.914 119.254 120.500 -0.553 0.000 2.774 520 R HA 0.640 4.988 4.340 0.014 0.000 0.272 520 R C 0.552 176.473 176.300 -0.632 0.000 1.000 520 R CA -0.025 55.822 56.100 -0.422 0.000 0.906 520 R CB 1.200 31.492 30.300 -0.013 0.000 1.227 520 R HN 2.224 nan 8.270 nan 0.000 0.468 521 G N 0.875 109.449 108.800 -0.376 0.000 2.143 521 G HA2 -0.288 3.680 3.960 0.014 0.000 0.248 521 G HA3 -0.288 3.680 3.960 0.014 0.000 0.248 521 G C 0.597 175.475 174.900 -0.037 0.000 0.991 521 G CA 0.498 45.490 45.100 -0.180 0.000 0.689 521 G HN 0.586 nan 8.290 nan 0.000 0.522 522 F N 1.021 120.993 119.950 0.036 0.000 2.502 522 F HA 0.299 4.835 4.527 0.014 0.000 0.298 522 F C 2.051 178.119 175.800 0.447 0.000 1.111 522 F CA 0.693 58.766 58.000 0.121 0.000 1.445 522 F CB 0.116 38.950 39.000 -0.277 0.000 1.081 522 F HN 0.814 nan 8.300 nan 0.000 0.558 523 G N 0.435 109.498 108.800 0.437 0.000 2.814 523 G HA2 -0.247 3.721 3.960 0.014 0.000 0.677 523 G HA3 -0.247 3.721 3.960 0.014 0.000 0.677 523 G C 0.504 175.681 174.900 0.461 0.000 1.429 523 G CA -0.227 45.087 45.100 0.356 0.000 0.868 523 G HN 0.234 nan 8.290 nan 0.000 0.553 524 S N -0.322 115.528 115.700 0.249 0.000 2.501 524 S HA 0.432 4.911 4.470 0.014 0.000 0.220 524 S C 1.301 175.967 174.600 0.110 0.000 0.997 524 S CA 0.956 59.295 58.200 0.232 0.000 0.919 524 S CB 0.683 63.954 63.200 0.118 0.000 0.778 524 S HN 1.845 nan 8.310 nan 0.000 0.523 525 G N 1.534 110.287 108.800 -0.078 0.000 2.348 525 G HA2 0.455 4.423 3.960 0.014 0.000 0.312 525 G HA3 0.455 4.423 3.960 0.014 0.000 0.312 525 G C -0.655 173.745 174.900 -0.834 0.000 1.126 525 G CA -0.895 44.032 45.100 -0.288 0.000 0.865 525 G HN 0.190 nan 8.290 nan 0.000 0.474 526 K N 1.042 120.917 120.400 -0.875 0.000 2.489 526 K HA 0.260 4.588 4.320 0.014 0.000 0.278 526 K C 0.894 176.746 176.600 -1.246 0.000 1.000 526 K CA 0.468 55.949 56.287 -1.343 0.000 1.012 526 K CB 1.026 33.190 32.500 -0.562 0.000 0.903 526 K HN 0.537 nan 8.250 nan 0.000 0.485 527 G N 1.643 109.346 108.800 -1.828 0.000 3.341 527 G HA2 0.356 4.325 3.960 0.014 0.000 0.177 527 G HA3 0.356 4.325 3.960 0.014 0.000 0.177 527 G C -0.812 173.876 174.900 -0.353 0.000 1.236 527 G CA -0.254 44.388 45.100 -0.764 0.000 0.888 527 G HN 0.504 nan 8.290 nan 0.000 0.644 528 T N -0.410 114.125 114.554 -0.031 0.000 2.900 528 T HA 0.593 4.951 4.350 0.014 0.000 0.295 528 T C -1.097 173.582 174.700 -0.035 0.000 1.044 528 T CA -0.300 61.738 62.100 -0.103 0.000 0.995 528 T CB 2.219 70.928 68.868 -0.264 0.000 1.072 528 T HN 0.308 nan 8.240 nan 0.000 0.473 529 V N 2.478 122.292 119.914 -0.167 0.000 2.495 529 V HA 0.493 4.622 4.120 0.014 0.000 0.298 529 V C -1.378 174.530 176.094 -0.309 0.000 1.031 529 V CA -0.868 61.336 62.300 -0.159 0.000 0.871 529 V CB 1.239 33.007 31.823 -0.091 0.000 0.988 529 V HN 0.832 nan 8.190 nan 0.000 0.432 530 Y N 3.515 123.756 120.300 -0.099 0.000 2.352 530 Y HA 0.590 5.149 4.550 0.014 0.000 0.339 530 Y C -0.399 175.405 175.900 -0.160 0.000 0.992 530 Y CA -0.584 57.503 58.100 -0.022 0.000 1.100 530 Y CB 1.694 40.150 38.460 -0.008 0.000 1.192 530 Y HN 0.518 nan 8.280 nan 0.000 0.458 531 F N 2.669 122.661 119.950 0.070 0.000 2.308 531 F HA 0.511 5.046 4.527 0.014 0.000 0.370 531 F C 0.958 176.915 175.800 0.260 0.000 1.100 531 F CA -0.154 57.868 58.000 0.037 0.000 1.108 531 F CB 0.732 39.593 39.000 -0.232 0.000 1.293 531 F HN 0.809 nan 8.300 nan 0.000 0.478 532 G N 2.461 111.527 108.800 0.443 0.000 2.561 532 G HA2 -0.384 3.585 3.960 0.014 0.000 0.289 532 G HA3 -0.384 3.585 3.960 0.014 0.000 0.289 532 G C 1.072 176.143 174.900 0.286 0.000 1.169 532 G CA 0.432 45.758 45.100 0.377 0.000 0.980 532 G HN 0.776 nan 8.290 nan 0.000 0.550 533 T N -1.861 112.851 114.554 0.264 0.000 3.107 533 T HA 0.406 4.764 4.350 0.014 0.000 0.249 533 T C 0.971 175.866 174.700 0.325 0.000 1.096 533 T CA 1.438 63.684 62.100 0.243 0.000 1.012 533 T CB 0.066 69.024 68.868 0.150 0.000 0.977 533 T HN 0.759 nan 8.240 nan 0.000 0.527 534 T N 3.401 118.136 114.554 0.302 0.000 2.727 534 T HA 0.626 4.984 4.350 0.014 0.000 0.295 534 T C 0.309 175.090 174.700 0.135 0.000 0.915 534 T CA -0.510 61.706 62.100 0.194 0.000 1.066 534 T CB 0.592 69.544 68.868 0.139 0.000 0.891 534 T HN 0.523 nan 8.240 nan 0.000 0.516 535 A N 3.832 126.659 122.820 0.013 0.000 2.354 535 A HA 0.649 4.977 4.320 0.014 0.000 0.269 535 A C -0.117 177.360 177.584 -0.179 0.000 1.109 535 A CA -0.530 51.318 52.037 -0.315 0.000 0.800 535 A CB 0.485 19.310 19.000 -0.291 0.000 1.045 535 A HN 0.667 nan 8.150 nan 0.000 0.489 536 V N 2.408 122.200 119.914 -0.204 0.000 2.588 536 V HA 0.766 4.895 4.120 0.014 0.000 0.304 536 V C 0.172 176.200 176.094 -0.110 0.000 1.042 536 V CA 0.064 62.305 62.300 -0.097 0.000 0.877 536 V CB 1.680 33.501 31.823 -0.004 0.000 0.996 536 V HN 1.255 nan 8.190 nan 0.000 0.425 537 T N 0.337 114.840 114.554 -0.086 0.000 2.671 537 T HA 0.852 5.210 4.350 0.014 0.000 0.300 537 T C 0.338 174.999 174.700 -0.066 0.000 1.238 537 T CA 0.048 62.097 62.100 -0.085 0.000 1.020 537 T CB 1.268 70.069 68.868 -0.111 0.000 1.503 537 T HN 1.814 nan 8.240 nan 0.000 0.497 538 G N 0.832 109.587 108.800 -0.074 0.000 2.550 538 G HA2 0.065 4.033 3.960 0.014 0.000 0.277 538 G HA3 0.065 4.033 3.960 0.014 0.000 0.277 538 G C 1.204 176.079 174.900 -0.042 0.000 1.190 538 G CA 0.940 46.004 45.100 -0.061 0.000 0.971 538 G HN 1.903 nan 8.290 nan 0.000 0.559 539 A N -0.824 121.973 122.820 -0.039 0.000 2.125 539 A HA 0.101 4.430 4.320 0.014 0.000 0.219 539 A C 1.899 179.465 177.584 -0.029 0.000 1.156 539 A CA 2.332 54.351 52.037 -0.031 0.000 0.671 539 A CB -0.384 18.597 19.000 -0.032 0.000 0.794 539 A HN 0.619 nan 8.150 nan 0.000 0.459 540 D N -0.315 120.064 120.400 -0.036 0.000 2.312 540 D HA 0.036 4.684 4.640 0.014 0.000 0.211 540 D C 0.405 176.693 176.300 -0.020 0.000 0.964 540 D CA 0.554 54.530 54.000 -0.040 0.000 0.877 540 D CB -0.006 40.758 40.800 -0.059 0.000 0.924 540 D HN 0.445 nan 8.370 nan 0.000 0.515 541 I N 1.449 122.023 120.570 0.007 0.000 2.322 541 I HA -0.024 4.155 4.170 0.014 0.000 0.292 541 I C 1.496 177.635 176.117 0.038 0.000 1.060 541 I CA -0.426 60.904 61.300 0.051 0.000 1.309 541 I CB 1.918 40.002 38.000 0.140 0.000 1.415 541 I HN -0.283 nan 8.210 nan 0.000 0.492 542 V N 6.282 126.205 119.914 0.015 0.000 2.358 542 V HA -0.048 4.081 4.120 0.014 0.000 0.246 542 V C 0.949 177.056 176.094 0.022 0.000 1.047 542 V CA 1.569 63.871 62.300 0.003 0.000 1.035 542 V CB -0.278 31.534 31.823 -0.019 0.000 0.658 542 V HN 0.853 nan 8.190 nan 0.000 0.452 543 A N -1.751 121.093 122.820 0.039 0.000 2.574 543 A HA 0.632 4.961 4.320 0.014 0.000 0.297 543 A C -2.059 175.598 177.584 0.122 0.000 1.062 543 A CA -0.395 51.679 52.037 0.062 0.000 0.686 543 A CB 1.669 20.676 19.000 0.013 0.000 1.285 543 A HN 0.241 nan 8.150 nan 0.000 0.403 544 W N 2.969 124.247 121.300 -0.036 0.000 3.132 544 W HA 0.543 5.212 4.660 0.015 0.000 0.337 544 W C -1.099 175.428 176.519 0.013 0.000 1.082 544 W CA -0.223 57.104 57.345 -0.031 0.000 1.242 544 W CB 1.673 31.106 29.460 -0.044 0.000 1.354 544 W HN 1.077 nan 8.180 nan 0.000 0.461 545 E N 1.555 121.805 120.200 0.084 0.000 2.442 545 E HA 0.245 4.604 4.350 0.014 0.000 0.271 545 E C -0.515 176.172 176.600 0.145 0.000 1.002 545 E CA -0.566 55.958 56.400 0.206 0.000 0.864 545 E CB 1.558 31.324 29.700 0.110 0.000 1.573 545 E HN 0.136 nan 8.360 nan 0.000 0.456 546 D N -0.374 120.121 120.400 0.158 0.000 2.218 546 D HA -0.124 4.525 4.640 0.014 0.000 0.204 546 D C 1.577 177.836 176.300 -0.069 0.000 0.976 546 D CA 2.361 56.419 54.000 0.096 0.000 0.853 546 D CB 0.196 41.020 40.800 0.041 0.000 0.939 546 D HN 0.544 nan 8.370 nan 0.000 0.481 547 T N -3.683 110.858 114.554 -0.022 0.000 3.023 547 T HA 0.151 4.509 4.350 0.014 0.000 0.253 547 T C 0.546 175.282 174.700 0.060 0.000 1.038 547 T CA -0.489 61.554 62.100 -0.095 0.000 0.962 547 T CB 0.444 69.282 68.868 -0.049 0.000 1.018 547 T HN 0.071 nan 8.240 nan 0.000 0.521 548 Q N 0.660 120.543 119.800 0.139 0.000 2.281 548 Q HA 0.582 4.930 4.340 0.014 0.000 0.263 548 Q C -1.992 173.903 176.000 -0.176 0.000 0.989 548 Q CA -1.007 54.814 55.803 0.030 0.000 0.852 548 Q CB 2.057 30.779 28.738 -0.028 0.000 1.337 548 Q HN 0.552 nan 8.270 nan 0.000 0.418 549 I N 0.346 120.677 120.570 -0.399 0.000 2.569 549 I HA 0.505 4.684 4.170 0.014 0.000 0.296 549 I C -1.363 174.582 176.117 -0.286 0.000 1.028 549 I CA -0.185 60.813 61.300 -0.504 0.000 1.082 549 I CB 2.158 39.497 38.000 -1.102 0.000 1.264 549 I HN 0.574 nan 8.210 nan 0.000 0.429 550 Q N 4.976 124.682 119.800 -0.156 0.000 2.316 550 Q HA 0.732 5.081 4.340 0.014 0.000 0.264 550 Q C -1.367 174.594 176.000 -0.066 0.000 0.987 550 Q CA -0.868 54.875 55.803 -0.101 0.000 0.852 550 Q CB 2.841 31.540 28.738 -0.064 0.000 1.287 550 Q HN 0.716 nan 8.270 nan 0.000 0.448 551 V N 2.225 122.106 119.914 -0.054 0.000 3.049 551 V HA 0.444 4.573 4.120 0.014 0.000 0.309 551 V C -1.490 174.585 176.094 -0.031 0.000 1.148 551 V CA -0.781 61.506 62.300 -0.022 0.000 0.990 551 V CB 2.399 34.227 31.823 0.008 0.000 1.039 551 V HN 0.665 nan 8.190 nan 0.000 0.430 552 K N 4.785 125.148 120.400 -0.062 0.000 2.249 552 K HA 0.523 4.851 4.320 0.014 0.000 0.280 552 K C -0.420 176.038 176.600 -0.237 0.000 1.033 552 K CA -0.342 55.878 56.287 -0.112 0.000 0.946 552 K CB 1.270 33.707 32.500 -0.106 0.000 1.005 552 K HN 0.590 nan 8.250 nan 0.000 0.469 553 I N 6.126 126.509 120.570 -0.311 0.000 2.587 553 I HA 0.003 4.182 4.170 0.014 0.000 0.284 553 I C -1.548 174.215 176.117 -0.590 0.000 1.134 553 I CA -1.577 59.320 61.300 -0.671 0.000 1.410 553 I CB 0.172 37.951 38.000 -0.369 0.000 1.392 553 I HN 0.387 nan 8.210 nan 0.000 0.545 554 P HA 0.025 nan 4.420 nan 0.000 0.273 554 P C -0.604 176.506 177.300 -0.316 0.000 1.250 554 P CA -0.505 62.346 63.100 -0.415 0.000 0.793 554 P CB 0.707 32.187 31.700 -0.366 0.000 1.011 555 A N 1.570 124.278 122.820 -0.188 0.000 3.063 555 A HA 0.393 4.722 4.320 0.014 0.000 0.263 555 A C 0.592 178.120 177.584 -0.092 0.000 1.736 555 A CA -0.407 51.556 52.037 -0.122 0.000 1.408 555 A CB -1.464 17.489 19.000 -0.079 0.000 1.108 555 A HN 0.379 nan 8.150 nan 0.000 0.621 556 V N -1.375 118.461 119.914 -0.130 0.000 2.850 556 V HA 0.648 4.776 4.120 0.014 0.000 0.315 556 V C -2.577 173.536 176.094 0.032 0.000 1.064 556 V CA -2.728 59.540 62.300 -0.053 0.000 0.979 556 V CB 0.733 32.454 31.823 -0.170 0.000 1.039 556 V HN 0.413 nan 8.190 nan 0.000 0.452 557 P HA 0.178 nan 4.420 nan 0.000 0.267 557 P C 0.421 177.860 177.300 0.230 0.000 1.195 557 P CA 0.632 63.831 63.100 0.164 0.000 0.773 557 P CB 0.122 31.925 31.700 0.171 0.000 0.837 558 G N 0.697 109.592 108.800 0.158 0.000 2.380 558 G HA2 0.465 4.434 3.960 0.014 0.000 0.242 558 G HA3 0.465 4.434 3.960 0.014 0.000 0.242 558 G C 0.170 175.204 174.900 0.224 0.000 1.298 558 G CA 0.468 45.671 45.100 0.172 0.000 0.878 558 G HN 0.771 nan 8.290 nan 0.000 0.542 559 G N 0.397 109.378 108.800 0.301 0.000 2.317 559 G HA2 0.371 4.339 3.960 0.014 0.000 0.293 559 G HA3 0.371 4.339 3.960 0.014 0.000 0.293 559 G C -1.463 173.564 174.900 0.211 0.000 1.287 559 G CA -0.944 44.251 45.100 0.158 0.000 0.850 559 G HN 0.569 nan 8.290 nan 0.000 0.515 560 I N 0.809 121.382 120.570 0.006 0.000 2.336 560 I HA 0.522 4.700 4.170 0.014 0.000 0.292 560 I C -0.843 175.237 176.117 -0.063 0.000 0.991 560 I CA -0.859 60.495 61.300 0.091 0.000 1.227 560 I CB 0.686 38.708 38.000 0.036 0.000 1.366 560 I HN 0.422 nan 8.210 nan 0.000 0.466 561 Y N 3.280 123.724 120.300 0.239 0.000 2.524 561 Y HA 0.408 4.967 4.550 0.014 0.000 0.344 561 Y C 0.301 176.315 175.900 0.190 0.000 1.012 561 Y CA -0.829 57.413 58.100 0.236 0.000 1.068 561 Y CB 1.518 40.190 38.460 0.353 0.000 1.249 561 Y HN 0.442 nan 8.280 nan 0.000 0.468 562 D N 2.231 122.788 120.400 0.262 0.000 2.175 562 D HA 0.422 5.071 4.640 0.014 0.000 0.248 562 D C -0.579 175.766 176.300 0.076 0.000 1.047 562 D CA -0.051 54.039 54.000 0.149 0.000 0.883 562 D CB 1.947 42.797 40.800 0.083 0.000 1.180 562 D HN 0.365 nan 8.370 nan 0.000 0.438 563 I N 1.559 122.125 120.570 -0.007 0.000 2.460 563 I HA 0.406 4.585 4.170 0.014 0.000 0.298 563 I C 0.195 176.267 176.117 -0.076 0.000 0.989 563 I CA -0.649 60.515 61.300 -0.227 0.000 1.173 563 I CB 1.739 39.510 38.000 -0.382 0.000 1.338 563 I HN 0.098 nan 8.210 nan 0.000 0.456 564 R N 4.078 124.541 120.500 -0.062 0.000 2.740 564 R HA 0.766 5.114 4.340 0.014 0.000 0.273 564 R C -2.122 174.228 176.300 0.083 0.000 0.998 564 R CA -0.490 55.633 56.100 0.038 0.000 0.900 564 R CB 2.139 32.467 30.300 0.047 0.000 1.223 564 R HN 0.383 nan 8.270 nan 0.000 0.466 565 V N 2.027 121.990 119.914 0.082 0.000 2.680 565 V HA 0.860 4.989 4.120 0.014 0.000 0.309 565 V C -0.873 175.358 176.094 0.228 0.000 1.052 565 V CA -0.471 61.877 62.300 0.079 0.000 0.908 565 V CB 1.864 33.582 31.823 -0.175 0.000 1.001 565 V HN 0.931 nan 8.190 nan 0.000 0.431 566 A N 4.292 127.300 122.820 0.314 0.000 2.330 566 A HA 0.627 4.955 4.320 0.014 0.000 0.313 566 A C -0.042 177.723 177.584 0.301 0.000 1.124 566 A CA -0.783 51.424 52.037 0.283 0.000 0.774 566 A CB 0.543 19.730 19.000 0.312 0.000 1.198 566 A HN 1.000 nan 8.150 nan 0.000 0.465 567 N N 1.494 120.365 118.700 0.286 0.000 2.294 567 N HA 0.343 5.091 4.740 0.014 0.000 0.248 567 N C 1.209 176.740 175.510 0.035 0.000 1.300 567 N CA -0.120 53.098 53.050 0.281 0.000 0.925 567 N CB 0.743 39.402 38.487 0.287 0.000 1.188 567 N HN 0.509 nan 8.380 nan 0.000 0.512 568 A N -0.108 122.650 122.820 -0.104 0.000 2.032 568 A HA -0.122 4.206 4.320 0.014 0.000 0.221 568 A C 2.040 179.589 177.584 -0.057 0.000 1.165 568 A CA 1.728 53.675 52.037 -0.150 0.000 0.645 568 A CB -1.120 17.766 19.000 -0.191 0.000 0.807 568 A HN 0.820 nan 8.150 nan 0.000 0.453 569 A N -1.865 120.950 122.820 -0.007 0.000 2.278 569 A HA 0.430 4.758 4.320 0.014 0.000 0.212 569 A C 1.784 179.382 177.584 0.024 0.000 1.213 569 A CA 1.067 53.108 52.037 0.007 0.000 0.840 569 A CB -1.038 17.973 19.000 0.019 0.000 0.866 569 A HN 1.848 nan 8.150 nan 0.000 0.489 570 G N -1.595 107.228 108.800 0.038 0.000 2.184 570 G HA2 -0.013 3.956 3.960 0.014 0.000 0.264 570 G HA3 -0.013 3.956 3.960 0.014 0.000 0.264 570 G C 0.521 175.462 174.900 0.069 0.000 0.975 570 G CA 0.363 45.498 45.100 0.058 0.000 0.642 570 G HN 1.693 nan 8.290 nan 0.000 0.536 571 A N 0.153 123.015 122.820 0.070 0.000 2.454 571 A HA 0.777 5.106 4.320 0.014 0.000 0.260 571 A C 0.835 178.478 177.584 0.097 0.000 1.106 571 A CA 1.117 53.194 52.037 0.067 0.000 0.780 571 A CB 0.457 19.493 19.000 0.060 0.000 1.044 571 A HN 2.045 nan 8.150 nan 0.000 0.498 572 A N 2.696 125.559 122.820 0.072 0.000 2.293 572 A HA 0.697 5.025 4.320 0.014 0.000 0.302 572 A C 0.819 178.444 177.584 0.068 0.000 1.119 572 A CA 0.120 52.204 52.037 0.077 0.000 0.823 572 A CB 0.347 19.355 19.000 0.013 0.000 1.097 572 A HN 1.693 nan 8.150 nan 0.000 0.491 573 S N 1.483 117.235 115.700 0.086 0.000 2.694 573 S HA 0.385 4.863 4.470 0.014 0.000 0.278 573 S C 0.256 174.883 174.600 0.045 0.000 1.152 573 S CA -0.641 57.606 58.200 0.078 0.000 1.010 573 S CB 0.186 63.467 63.200 0.134 0.000 1.104 573 S HN 0.918 nan 8.310 nan 0.000 0.547 574 N N 0.040 118.765 118.700 0.043 0.000 2.381 574 N HA 0.068 4.816 4.740 0.014 0.000 0.241 574 N C -0.414 175.137 175.510 0.069 0.000 1.279 574 N CA -0.222 52.855 53.050 0.044 0.000 0.896 574 N CB -0.131 38.389 38.487 0.055 0.000 1.118 574 N HN 0.697 nan 8.380 nan 0.000 0.438 575 I N 0.716 121.316 120.570 0.051 0.000 2.441 575 I HA -0.001 4.178 4.170 0.014 0.000 0.287 575 I C -0.470 175.708 176.117 0.102 0.000 1.049 575 I CA -0.465 60.870 61.300 0.058 0.000 1.381 575 I CB 0.280 38.293 38.000 0.021 0.000 1.409 575 I HN 0.481 nan 8.210 nan 0.000 0.523 576 Y N 7.087 127.390 120.300 0.005 0.000 2.491 576 Y HA 0.165 4.723 4.550 0.014 0.000 0.334 576 Y C 0.200 176.131 175.900 0.052 0.000 0.969 576 Y CA -1.004 57.114 58.100 0.029 0.000 1.241 576 Y CB 0.207 38.674 38.460 0.011 0.000 1.105 576 Y HN 0.581 nan 8.280 nan 0.000 0.503 577 D N 2.035 122.396 120.400 -0.066 0.000 2.451 577 D HA 0.127 4.776 4.640 0.014 0.000 0.259 577 D C 0.026 176.375 176.300 0.081 0.000 1.201 577 D CA -0.468 53.551 54.000 0.033 0.000 1.028 577 D CB 0.631 41.422 40.800 -0.014 0.000 1.095 577 D HN 0.525 nan 8.370 nan 0.000 0.539 578 N N -2.282 116.493 118.700 0.124 0.000 2.815 578 N HA -0.219 4.530 4.740 0.014 0.000 0.248 578 N C -1.415 174.210 175.510 0.192 0.000 1.110 578 N CA 0.114 53.236 53.050 0.120 0.000 0.699 578 N CB -1.961 36.554 38.487 0.048 0.000 1.040 578 N HN 0.428 nan 8.380 nan 0.000 0.555 579 F N 1.442 121.499 119.950 0.177 0.000 2.410 579 F HA 0.393 4.928 4.527 0.014 0.000 0.348 579 F C 0.700 176.646 175.800 0.243 0.000 1.106 579 F CA -0.459 57.672 58.000 0.220 0.000 1.163 579 F CB 0.803 39.959 39.000 0.260 0.000 1.129 579 F HN 0.149 nan 8.300 nan 0.000 0.516 580 E N 5.348 125.277 120.200 -0.452 0.000 2.133 580 E HA 0.413 4.772 4.350 0.014 0.000 0.274 580 E C -1.558 174.977 176.600 -0.108 0.000 0.930 580 E CA -0.755 55.571 56.400 -0.123 0.000 0.770 580 E CB 1.326 30.950 29.700 -0.127 0.000 1.104 580 E HN 0.494 nan 8.360 nan 0.000 0.403 581 V N 6.525 126.577 119.914 0.230 0.000 2.385 581 V HA 0.201 4.329 4.120 0.014 0.000 0.269 581 V C 0.383 176.538 176.094 0.103 0.000 1.043 581 V CA -0.471 61.940 62.300 0.184 0.000 0.906 581 V CB 0.728 32.651 31.823 0.166 0.000 0.995 581 V HN 0.688 nan 8.190 nan 0.000 0.467 582 L N 3.959 125.202 121.223 0.034 0.000 2.436 582 L HA 0.237 4.586 4.340 0.014 0.000 0.265 582 L C 1.735 178.623 176.870 0.030 0.000 1.168 582 L CA -0.122 54.730 54.840 0.021 0.000 0.815 582 L CB 0.651 42.704 42.059 -0.010 0.000 1.109 582 L HN 0.635 nan 8.230 nan 0.000 0.462 583 T N 0.369 114.942 114.554 0.031 0.000 2.915 583 T HA 0.095 4.453 4.350 0.014 0.000 0.269 583 T C 0.634 175.344 174.700 0.016 0.000 1.071 583 T CA 1.006 63.124 62.100 0.029 0.000 1.132 583 T CB 0.012 68.897 68.868 0.030 0.000 0.878 583 T HN 0.904 nan 8.240 nan 0.000 0.479 584 G N -0.123 108.682 108.800 0.009 0.000 2.348 584 G HA2 0.309 4.278 3.960 0.014 0.000 0.296 584 G HA3 0.309 4.278 3.960 0.014 0.000 0.296 584 G C -2.112 172.787 174.900 -0.002 0.000 1.258 584 G CA -0.847 44.255 45.100 0.003 0.000 0.868 584 G HN 0.004 nan 8.290 nan 0.000 0.488 585 D N 0.714 121.113 120.400 -0.002 0.000 2.382 585 D HA 0.336 4.984 4.640 0.014 0.000 0.240 585 D C -0.085 176.215 176.300 0.000 0.000 1.146 585 D CA 0.490 54.486 54.000 -0.007 0.000 0.897 585 D CB 0.935 41.734 40.800 -0.003 0.000 1.197 585 D HN 0.174 nan 8.370 nan 0.000 0.432 586 Q N 0.297 120.091 119.800 -0.009 0.000 2.301 586 Q HA 0.562 4.911 4.340 0.014 0.000 0.267 586 Q C -0.374 175.640 176.000 0.023 0.000 1.035 586 Q CA -0.973 54.833 55.803 0.005 0.000 0.856 586 Q CB 2.304 31.027 28.738 -0.024 0.000 1.337 586 Q HN 0.317 nan 8.270 nan 0.000 0.450 587 V N -1.972 117.979 119.914 0.061 0.000 2.925 587 V HA 0.679 4.808 4.120 0.014 0.000 0.311 587 V C -0.285 175.892 176.094 0.138 0.000 1.104 587 V CA -0.885 61.473 62.300 0.097 0.000 0.954 587 V CB 1.899 33.785 31.823 0.105 0.000 1.022 587 V HN 0.669 nan 8.190 nan 0.000 0.427 588 T N 2.845 117.511 114.554 0.187 0.000 2.771 588 T HA 0.619 4.978 4.350 0.014 0.000 0.291 588 T C -0.226 174.607 174.700 0.223 0.000 0.954 588 T CA -0.228 62.016 62.100 0.239 0.000 1.045 588 T CB 1.288 70.364 68.868 0.347 0.000 0.917 588 T HN 0.678 nan 8.240 nan 0.000 0.484 589 V N 3.979 124.016 119.914 0.205 0.000 2.513 589 V HA 0.471 4.600 4.120 0.014 0.000 0.299 589 V C 0.310 176.435 176.094 0.051 0.000 1.035 589 V CA -1.056 61.272 62.300 0.046 0.000 0.889 589 V CB 1.769 33.527 31.823 -0.109 0.000 0.988 589 V HN 0.750 nan 8.190 nan 0.000 0.440 590 R N 3.832 124.332 120.500 -0.000 0.000 2.265 590 R HA 0.445 4.794 4.340 0.014 0.000 0.314 590 R C -1.489 174.765 176.300 -0.078 0.000 1.053 590 R CA -0.229 55.947 56.100 0.128 0.000 0.931 590 R CB 0.478 30.889 30.300 0.185 0.000 1.024 590 R HN 0.512 nan 8.270 nan 0.000 0.457 591 F N 4.004 124.038 119.950 0.140 0.000 2.420 591 F HA 0.385 4.920 4.527 0.014 0.000 0.342 591 F C -0.288 175.615 175.800 0.172 0.000 1.113 591 F CA -0.634 57.449 58.000 0.139 0.000 1.059 591 F CB 2.025 41.157 39.000 0.220 0.000 1.128 591 F HN 0.127 nan 8.300 nan 0.000 0.475 592 V N 5.608 125.625 119.914 0.172 0.000 2.531 592 V HA 0.461 4.590 4.120 0.014 0.000 0.301 592 V C -0.631 175.392 176.094 -0.119 0.000 1.034 592 V CA -0.843 61.420 62.300 -0.061 0.000 0.865 592 V CB 2.110 33.699 31.823 -0.391 0.000 0.995 592 V HN 0.665 nan 8.190 nan 0.000 0.424 593 I N 4.682 125.138 120.570 -0.190 0.000 2.466 593 I HA 0.536 4.715 4.170 0.014 0.000 0.289 593 I C -0.676 175.388 176.117 -0.088 0.000 1.026 593 I CA -0.373 60.739 61.300 -0.314 0.000 1.078 593 I CB 1.649 39.150 38.000 -0.832 0.000 1.249 593 I HN 0.625 nan 8.210 nan 0.000 0.429 594 N N 5.273 123.942 118.700 -0.053 0.000 2.482 594 N HA 0.321 5.069 4.740 0.014 0.000 0.279 594 N C -0.114 175.418 175.510 0.036 0.000 1.182 594 N CA -0.414 52.635 53.050 -0.002 0.000 0.969 594 N CB 1.006 39.489 38.487 -0.006 0.000 1.201 594 N HN 0.583 nan 8.380 nan 0.000 0.523 595 N N -0.893 117.804 118.700 -0.005 0.000 2.714 595 N HA -0.190 4.558 4.740 0.014 0.000 0.250 595 N C -0.901 174.577 175.510 -0.053 0.000 1.117 595 N CA 0.747 53.781 53.050 -0.026 0.000 0.719 595 N CB -1.315 37.197 38.487 0.042 0.000 1.081 595 N HN 0.653 nan 8.380 nan 0.000 0.557 596 A N 0.130 122.912 122.820 -0.064 0.000 2.910 596 A HA 0.449 4.777 4.320 0.014 0.000 0.316 596 A C 0.642 178.154 177.584 -0.120 0.000 1.493 596 A CA -0.137 51.767 52.037 -0.223 0.000 1.150 596 A CB -0.294 18.584 19.000 -0.204 0.000 1.159 596 A HN 0.262 nan 8.150 nan 0.000 0.526 597 T N 0.678 115.110 114.554 -0.204 0.000 2.832 597 T HA 0.541 4.900 4.350 0.014 0.000 0.296 597 T C 0.405 175.160 174.700 0.091 0.000 0.968 597 T CA 0.065 62.161 62.100 -0.006 0.000 1.107 597 T CB 0.952 69.810 68.868 -0.016 0.000 0.916 597 T HN 0.714 nan 8.240 nan 0.000 0.517 598 T N -0.416 114.358 114.554 0.366 0.000 2.907 598 T HA 0.819 5.178 4.350 0.014 0.000 0.290 598 T C 0.288 175.060 174.700 0.121 0.000 1.066 598 T CA -0.816 61.390 62.100 0.176 0.000 1.012 598 T CB 1.529 70.552 68.868 0.258 0.000 1.184 598 T HN 0.913 nan 8.240 nan 0.000 0.522 599 A N 1.208 124.061 122.820 0.055 0.000 2.529 599 A HA 0.695 5.024 4.320 0.014 0.000 0.269 599 A C 0.714 178.311 177.584 0.023 0.000 1.509 599 A CA -0.901 51.155 52.037 0.032 0.000 0.857 599 A CB -0.540 18.471 19.000 0.019 0.000 1.531 599 A HN 1.368 nan 8.150 nan 0.000 0.541 600 L N -1.788 119.443 121.223 0.013 0.000 2.699 600 L HA 0.480 4.828 4.340 0.014 0.000 0.283 600 L C 0.822 177.704 176.870 0.021 0.000 1.166 600 L CA 0.422 55.266 54.840 0.008 0.000 1.043 600 L CB -1.284 40.778 42.059 0.006 0.000 1.369 600 L HN 1.453 nan 8.230 nan 0.000 0.462 601 G N 1.718 110.535 108.800 0.028 0.000 2.221 601 G HA2 -0.329 3.639 3.960 0.014 0.000 0.265 601 G HA3 -0.329 3.639 3.960 0.014 0.000 0.265 601 G C 0.102 175.047 174.900 0.075 0.000 1.041 601 G CA 0.572 45.704 45.100 0.053 0.000 0.807 601 G HN 0.902 nan 8.290 nan 0.000 0.502 602 Q N -0.195 119.650 119.800 0.076 0.000 2.235 602 Q HA 0.535 4.884 4.340 0.014 0.000 0.250 602 Q C -0.083 175.982 176.000 0.110 0.000 0.909 602 Q CA -0.708 55.137 55.803 0.071 0.000 0.910 602 Q CB 0.555 29.313 28.738 0.034 0.000 1.223 602 Q HN 0.387 nan 8.270 nan 0.000 0.432 603 N N 1.436 120.181 118.700 0.075 0.000 2.405 603 N HA 0.427 5.176 4.740 0.014 0.000 0.285 603 N C -1.483 173.730 175.510 -0.495 0.000 1.262 603 N CA -0.469 52.505 53.050 -0.125 0.000 0.773 603 N CB 2.106 40.550 38.487 -0.071 0.000 1.490 603 N HN 0.305 nan 8.380 nan 0.000 0.486 604 V N 1.739 120.867 119.914 -1.311 0.000 2.472 604 V HA 0.547 4.675 4.120 0.014 0.000 0.290 604 V C -0.755 174.849 176.094 -0.815 0.000 1.037 604 V CA -0.208 61.502 62.300 -0.982 0.000 0.908 604 V CB 0.481 31.334 31.823 -1.616 0.000 0.985 604 V HN 0.466 nan 8.190 nan 0.000 0.454 605 F N 3.345 123.142 119.950 -0.255 0.000 2.640 605 F HA 0.657 5.192 4.527 0.014 0.000 0.324 605 F C -0.273 175.454 175.800 -0.122 0.000 1.077 605 F CA -0.818 57.050 58.000 -0.219 0.000 0.965 605 F CB 1.772 40.624 39.000 -0.247 0.000 1.351 605 F HN 0.210 nan 8.300 nan 0.000 0.487 606 L N 1.168 122.370 121.223 -0.034 0.000 2.381 606 L HA 0.756 5.104 4.340 0.014 0.000 0.268 606 L C -1.067 175.658 176.870 -0.243 0.000 0.997 606 L CA -0.039 54.629 54.840 -0.287 0.000 0.818 606 L CB 2.068 43.843 42.059 -0.473 0.000 1.310 606 L HN 0.763 nan 8.230 nan 0.000 0.416 607 T N 2.303 116.723 114.554 -0.224 0.000 2.821 607 T HA 0.850 5.209 4.350 0.014 0.000 0.306 607 T C -0.632 173.877 174.700 -0.318 0.000 1.313 607 T CA 0.169 62.166 62.100 -0.172 0.000 1.012 607 T CB 1.958 70.843 68.868 0.028 0.000 1.298 607 T HN 0.983 nan 8.240 nan 0.000 0.502 608 G N 0.652 109.063 108.800 -0.648 0.000 2.619 608 G HA2 0.329 4.297 3.960 0.014 0.000 0.305 608 G HA3 0.329 4.297 3.960 0.014 0.000 0.305 608 G C -0.389 173.612 174.900 -1.499 0.000 1.330 608 G CA -0.218 44.120 45.100 -1.271 0.000 0.789 608 G HN 0.904 nan 8.290 nan 0.000 0.487 609 N N -1.318 116.688 118.700 -1.157 0.000 2.322 609 N HA 0.253 5.002 4.740 0.014 0.000 0.216 609 N C 0.243 175.611 175.510 -0.237 0.000 1.144 609 N CA -0.111 52.560 53.050 -0.632 0.000 0.830 609 N CB 0.450 38.910 38.487 -0.045 0.000 1.034 609 N HN 0.525 nan 8.380 nan 0.000 0.484 610 V N -4.445 115.329 119.914 -0.232 0.000 2.962 610 V HA 0.386 4.514 4.120 0.014 0.000 0.313 610 V C 1.372 177.409 176.094 -0.095 0.000 1.099 610 V CA -0.962 61.281 62.300 -0.095 0.000 0.971 610 V CB 1.252 33.050 31.823 -0.042 0.000 1.028 610 V HN 0.046 nan 8.190 nan 0.000 0.430 611 S N 0.857 116.539 115.700 -0.030 0.000 2.380 611 S HA -0.240 4.238 4.470 0.014 0.000 0.229 611 S C 1.546 176.139 174.600 -0.012 0.000 1.043 611 S CA 2.627 60.824 58.200 -0.004 0.000 1.038 611 S CB -0.348 62.874 63.200 0.037 0.000 0.872 611 S HN 0.971 nan 8.310 nan 0.000 0.456 612 E N 0.011 120.205 120.200 -0.010 0.000 2.268 612 E HA 0.049 4.408 4.350 0.014 0.000 0.195 612 E C 1.164 177.747 176.600 -0.029 0.000 0.995 612 E CA 0.526 56.928 56.400 0.004 0.000 0.836 612 E CB -0.041 29.673 29.700 0.024 0.000 0.763 612 E HN 0.332 nan 8.360 nan 0.000 0.491 613 L N -1.012 120.154 121.223 -0.096 0.000 2.700 613 L HA 0.333 4.681 4.340 0.014 0.000 0.234 613 L C 1.209 177.984 176.870 -0.158 0.000 1.156 613 L CA 0.752 55.489 54.840 -0.171 0.000 0.946 613 L CB 0.097 41.995 42.059 -0.269 0.000 1.216 613 L HN 0.214 nan 8.230 nan 0.000 0.493 614 G N 0.072 108.815 108.800 -0.095 0.000 2.157 614 G HA2 -0.359 3.609 3.960 0.014 0.000 0.248 614 G HA3 -0.359 3.609 3.960 0.014 0.000 0.248 614 G C 0.693 175.568 174.900 -0.041 0.000 0.979 614 G CA 0.196 45.263 45.100 -0.055 0.000 0.650 614 G HN 0.451 nan 8.290 nan 0.000 0.529 615 N N -1.523 117.110 118.700 -0.113 0.000 2.699 615 N HA -0.247 4.502 4.740 0.014 0.000 0.256 615 N C 0.946 176.513 175.510 0.095 0.000 0.993 615 N CA 1.329 54.322 53.050 -0.096 0.000 0.759 615 N CB -1.152 37.342 38.487 0.012 0.000 0.906 615 N HN 1.021 nan 8.380 nan 0.000 0.541 616 W N -3.410 117.943 121.300 0.089 0.000 2.323 616 W HA -0.280 4.389 4.660 0.015 0.000 0.261 616 W C 0.465 177.115 176.519 0.217 0.000 1.029 616 W CA 0.401 57.847 57.345 0.168 0.000 0.499 616 W CB -1.280 28.236 29.460 0.094 0.000 2.045 616 W HN 0.372 nan 8.180 nan 0.000 1.374 617 D N 0.355 120.922 120.400 0.279 0.000 2.317 617 D HA 0.171 4.820 4.640 0.014 0.000 0.252 617 D C -0.952 175.410 176.300 0.104 0.000 1.174 617 D CA -1.899 52.215 54.000 0.190 0.000 0.866 617 D CB 1.264 42.120 40.800 0.094 0.000 1.127 617 D HN -0.201 nan 8.370 nan 0.000 0.467 618 P HA -0.090 nan 4.420 nan 0.000 0.218 618 P C 0.602 177.767 177.300 -0.225 0.000 1.148 618 P CA 0.840 63.846 63.100 -0.157 0.000 0.822 618 P CB 0.256 31.855 31.700 -0.169 0.000 0.784 619 N N -1.081 117.544 118.700 -0.126 0.000 2.453 619 N HA -0.087 4.661 4.740 0.014 0.000 0.183 619 N C 0.801 176.246 175.510 -0.110 0.000 1.041 619 N CA 0.937 53.909 53.050 -0.130 0.000 0.900 619 N CB -0.711 37.735 38.487 -0.069 0.000 0.961 619 N HN 0.142 nan 8.380 nan 0.000 0.443 620 N N -0.645 118.007 118.700 -0.080 0.000 2.234 620 N HA 0.298 5.046 4.740 0.014 0.000 0.227 620 N C -0.765 174.707 175.510 -0.063 0.000 1.151 620 N CA -0.177 52.840 53.050 -0.055 0.000 0.865 620 N CB 0.654 39.129 38.487 -0.021 0.000 1.066 620 N HN 0.097 nan 8.380 nan 0.000 0.515 621 A N 0.468 123.225 122.820 -0.105 0.000 2.386 621 A HA 0.301 4.630 4.320 0.014 0.000 0.248 621 A C 0.092 177.685 177.584 0.014 0.000 1.082 621 A CA -0.242 51.750 52.037 -0.075 0.000 0.789 621 A CB 0.235 19.155 19.000 -0.133 0.000 1.025 621 A HN 0.124 nan 8.150 nan 0.000 0.490 622 I N 1.777 122.321 120.570 -0.044 0.000 2.452 622 I HA 0.489 4.668 4.170 0.014 0.000 0.287 622 I C 0.984 176.944 176.117 -0.261 0.000 1.079 622 I CA 1.332 62.548 61.300 -0.140 0.000 1.387 622 I CB -0.546 37.343 38.000 -0.185 0.000 1.404 622 I HN 0.945 nan 8.210 nan 0.000 0.522 623 G N 8.202 116.750 108.800 -0.420 0.000 2.356 623 G HA2 0.208 4.176 3.960 0.014 0.000 0.288 623 G HA3 0.208 4.176 3.960 0.014 0.000 0.288 623 G C -3.291 171.315 174.900 -0.490 0.000 1.302 623 G CA -0.849 43.759 45.100 -0.820 0.000 0.887 623 G HN 0.338 nan 8.290 nan 0.000 0.521 624 P HA 0.445 nan 4.420 nan 0.000 0.271 624 P C 0.407 177.334 177.300 -0.622 0.000 1.216 624 P CA -0.139 62.396 63.100 -0.942 0.000 0.771 624 P CB 0.486 31.928 31.700 -0.430 0.000 0.864 625 M N 1.849 121.143 119.600 -0.510 0.000 2.219 625 M HA 0.104 4.593 4.480 0.014 0.000 0.307 625 M C 0.131 176.607 176.300 0.293 0.000 1.116 625 M CA 0.540 55.755 55.300 -0.142 0.000 1.181 625 M CB 0.034 32.684 32.600 0.084 0.000 1.410 625 M HN 0.284 nan 8.290 nan 0.000 0.454 626 Y N 0.877 121.222 120.300 0.075 0.000 2.354 626 Y HA 0.257 4.816 4.550 0.014 0.000 0.322 626 Y C 0.678 176.399 175.900 -0.299 0.000 1.253 626 Y CA -1.320 56.631 58.100 -0.249 0.000 1.272 626 Y CB 0.466 38.514 38.460 -0.686 0.000 1.255 626 Y HN 0.701 nan 8.280 nan 0.000 0.500 627 N N -1.240 117.414 118.700 -0.076 0.000 2.423 627 N HA 0.140 4.889 4.740 0.014 0.000 0.262 627 N C -0.428 175.060 175.510 -0.037 0.000 1.467 627 N CA -0.045 52.926 53.050 -0.132 0.000 0.847 627 N CB 0.415 38.424 38.487 -0.796 0.000 1.394 627 N HN 0.572 nan 8.380 nan 0.000 0.495 628 Q N -0.220 119.615 119.800 0.059 0.000 2.586 628 Q HA 0.237 4.586 4.340 0.014 0.000 0.243 628 Q C 1.525 177.484 176.000 -0.069 0.000 0.846 628 Q CA 0.255 56.041 55.803 -0.028 0.000 0.959 628 Q CB 0.846 29.538 28.738 -0.078 0.000 1.227 628 Q HN 0.128 nan 8.270 nan 0.000 0.611 629 V N -0.060 119.797 119.914 -0.095 0.000 2.423 629 V HA -0.071 4.057 4.120 0.014 0.000 0.233 629 V C 1.976 177.642 176.094 -0.712 0.000 1.067 629 V CA 1.049 63.112 62.300 -0.395 0.000 1.073 629 V CB -0.322 31.255 31.823 -0.409 0.000 0.715 629 V HN 0.087 nan 8.190 nan 0.000 0.485 630 V N -1.612 117.725 119.914 -0.963 0.000 2.453 630 V HA -0.057 4.072 4.120 0.014 0.000 0.247 630 V C 0.542 175.979 176.094 -1.094 0.000 1.048 630 V CA 1.405 62.985 62.300 -1.200 0.000 1.049 630 V CB -0.562 30.375 31.823 -1.477 0.000 0.672 630 V HN 0.499 nan 8.190 nan 0.000 0.457 631 Y N -1.504 118.396 120.300 -0.667 0.000 2.553 631 Y HA 0.668 5.227 4.550 0.014 0.000 0.347 631 Y C -0.255 175.599 175.900 -0.076 0.000 1.019 631 Y CA -1.220 56.724 58.100 -0.260 0.000 1.032 631 Y CB 1.798 40.177 38.460 -0.135 0.000 1.284 631 Y HN -0.021 nan 8.280 nan 0.000 0.466 632 Q N 0.719 120.580 119.800 0.102 0.000 2.345 632 Q HA 0.324 4.673 4.340 0.014 0.000 0.268 632 Q C -1.394 174.621 176.000 0.025 0.000 1.054 632 Q CA -1.035 54.795 55.803 0.045 0.000 0.835 632 Q CB 1.550 30.294 28.738 0.011 0.000 1.339 632 Q HN 0.587 nan 8.270 nan 0.000 0.447 633 Y N 4.027 124.219 120.300 -0.180 0.000 2.904 633 Y HA -0.013 4.546 4.550 0.014 0.000 0.336 633 Y C -1.240 174.613 175.900 -0.079 0.000 1.263 633 Y CA -0.542 57.413 58.100 -0.242 0.000 1.547 633 Y CB 0.721 38.988 38.460 -0.322 0.000 1.272 633 Y HN 0.561 nan 8.280 nan 0.000 0.596 634 P HA 0.053 nan 4.420 nan 0.000 0.253 634 P C -0.686 176.482 177.300 -0.220 0.000 1.459 634 P CA 0.102 62.609 63.100 -0.988 0.000 0.908 634 P CB -0.042 31.109 31.700 -0.915 0.000 1.470 635 T N 0.871 115.364 114.554 -0.101 0.000 2.806 635 T HA 0.310 4.669 4.350 0.014 0.000 0.290 635 T C -0.695 174.085 174.700 0.133 0.000 0.966 635 T CA 0.083 62.224 62.100 0.069 0.000 1.060 635 T CB 0.568 69.478 68.868 0.069 0.000 0.927 635 T HN 0.039 nan 8.240 nan 0.000 0.485 636 W N 2.999 124.326 121.300 0.045 0.000 2.781 636 W HA 0.642 5.310 4.660 0.014 0.000 0.345 636 W C -0.725 175.899 176.519 0.174 0.000 1.085 636 W CA -1.056 56.367 57.345 0.129 0.000 1.198 636 W CB 0.948 30.427 29.460 0.032 0.000 1.423 636 W HN 0.701 nan 8.180 nan 0.000 0.532 637 Y N -0.231 120.280 120.300 0.352 0.000 2.597 637 Y HA 0.799 5.358 4.550 0.014 0.000 0.340 637 Y C -1.969 174.195 175.900 0.441 0.000 1.097 637 Y CA -2.623 55.650 58.100 0.288 0.000 1.037 637 Y CB 1.573 40.177 38.460 0.240 0.000 1.305 637 Y HN 0.540 nan 8.280 nan 0.000 0.463 638 Y N 0.575 121.024 120.300 0.248 0.000 2.558 638 Y HA 0.400 4.959 4.550 0.014 0.000 0.333 638 Y C -1.782 174.315 175.900 0.329 0.000 1.125 638 Y CA -1.083 57.085 58.100 0.114 0.000 1.039 638 Y CB 1.950 40.402 38.460 -0.015 0.000 1.331 638 Y HN 0.770 nan 8.280 nan 0.000 0.456 639 D N 3.549 124.002 120.400 0.089 0.000 2.349 639 D HA 0.489 5.138 4.640 0.014 0.000 0.232 639 D C -1.141 175.325 176.300 0.276 0.000 1.071 639 D CA 0.030 54.190 54.000 0.267 0.000 0.832 639 D CB 1.929 42.917 40.800 0.314 0.000 1.086 639 D HN 0.208 nan 8.370 nan 0.000 0.504 640 V N 1.305 121.457 119.914 0.397 0.000 2.540 640 V HA 0.305 4.433 4.120 0.014 0.000 0.302 640 V C 0.447 176.723 176.094 0.302 0.000 1.035 640 V CA -0.921 61.604 62.300 0.375 0.000 0.873 640 V CB 2.010 34.047 31.823 0.356 0.000 0.992 640 V HN 0.449 nan 8.190 nan 0.000 0.428 641 S N 3.727 119.564 115.700 0.230 0.000 2.488 641 S HA 0.535 5.013 4.470 0.014 0.000 0.278 641 S C -0.340 174.343 174.600 0.139 0.000 1.259 641 S CA -0.364 57.924 58.200 0.147 0.000 1.061 641 S CB 0.137 63.378 63.200 0.068 0.000 0.910 641 S HN 0.944 nan 8.310 nan 0.000 0.491 642 V N 3.382 123.379 119.914 0.138 0.000 3.078 642 V HA 0.784 4.913 4.120 0.014 0.000 0.311 642 V C -2.775 173.372 176.094 0.087 0.000 1.138 642 V CA -2.815 59.559 62.300 0.122 0.000 1.007 642 V CB 1.679 33.618 31.823 0.192 0.000 1.045 642 V HN 0.646 nan 8.190 nan 0.000 0.432 643 P HA 0.241 nan 4.420 nan 0.000 0.268 643 P C -0.237 177.091 177.300 0.046 0.000 1.204 643 P CA 0.519 63.645 63.100 0.043 0.000 0.768 643 P CB 0.913 32.634 31.700 0.034 0.000 0.842 644 A N 2.917 125.756 122.820 0.032 0.000 2.354 644 A HA 0.540 4.868 4.320 0.014 0.000 0.269 644 A C 1.297 178.884 177.584 0.005 0.000 1.109 644 A CA 0.253 52.304 52.037 0.023 0.000 0.800 644 A CB -0.778 18.235 19.000 0.021 0.000 1.045 644 A HN 0.840 nan 8.150 nan 0.000 0.489 645 G N 1.002 109.792 108.800 -0.017 0.000 2.182 645 G HA2 -0.115 3.853 3.960 0.014 0.000 0.248 645 G HA3 -0.115 3.853 3.960 0.014 0.000 0.248 645 G C -0.157 174.725 174.900 -0.030 0.000 1.042 645 G CA 0.528 45.610 45.100 -0.030 0.000 0.775 645 G HN 1.659 nan 8.290 nan 0.000 0.501 646 Q N -1.521 118.258 119.800 -0.035 0.000 2.511 646 Q HA 0.706 5.055 4.340 0.014 0.000 0.289 646 Q C -0.798 175.192 176.000 -0.017 0.000 1.021 646 Q CA -0.914 54.880 55.803 -0.015 0.000 0.785 646 Q CB 0.989 29.734 28.738 0.013 0.000 1.472 646 Q HN 0.098 nan 8.270 nan 0.000 0.411 647 T N 2.585 117.148 114.554 0.014 0.000 2.729 647 T HA 0.446 4.805 4.350 0.014 0.000 0.296 647 T C 0.174 174.946 174.700 0.120 0.000 0.928 647 T CA -0.451 61.683 62.100 0.056 0.000 1.045 647 T CB -0.317 68.588 68.868 0.062 0.000 0.902 647 T HN 0.464 nan 8.240 nan 0.000 0.500 648 I N 0.442 121.135 120.570 0.206 0.000 2.437 648 I HA 0.650 4.828 4.170 0.014 0.000 0.298 648 I C -0.048 176.303 176.117 0.389 0.000 0.984 648 I CA -0.968 60.482 61.300 0.249 0.000 1.214 648 I CB 1.470 39.619 38.000 0.249 0.000 1.365 648 I HN 0.379 nan 8.210 nan 0.000 0.469 649 E N 5.116 125.489 120.200 0.288 0.000 2.231 649 E HA 0.648 5.007 4.350 0.014 0.000 0.277 649 E C -1.363 175.400 176.600 0.272 0.000 0.999 649 E CA -0.553 56.032 56.400 0.309 0.000 0.827 649 E CB 1.912 31.845 29.700 0.389 0.000 1.101 649 E HN 0.595 nan 8.360 nan 0.000 0.393 650 F N -0.469 119.572 119.950 0.151 0.000 2.693 650 F HA 0.628 5.164 4.527 0.015 0.000 0.309 650 F C -1.200 174.712 175.800 0.187 0.000 1.129 650 F CA -1.131 56.852 58.000 -0.029 0.000 0.948 650 F CB 1.367 40.250 39.000 -0.194 0.000 1.315 650 F HN 0.101 nan 8.300 nan 0.000 0.447 651 K N 1.346 121.927 120.400 0.301 0.000 2.482 651 K HA 0.634 4.963 4.320 0.014 0.000 0.257 651 K C -1.886 174.719 176.600 0.007 0.000 0.969 651 K CA -0.831 55.590 56.287 0.223 0.000 0.842 651 K CB 2.752 35.547 32.500 0.492 0.000 1.359 651 K HN 0.588 nan 8.250 nan 0.000 0.441 652 F N 1.673 121.725 119.950 0.170 0.000 2.450 652 F HA 0.574 5.109 4.527 0.014 0.000 0.328 652 F C 0.120 175.989 175.800 0.115 0.000 1.068 652 F CA -0.871 57.212 58.000 0.138 0.000 1.007 652 F CB 1.004 40.126 39.000 0.203 0.000 1.251 652 F HN 0.256 nan 8.300 nan 0.000 0.492 653 L N -0.899 120.496 121.223 0.287 0.000 2.469 653 L HA 0.688 5.037 4.340 0.014 0.000 0.256 653 L C -1.577 175.387 176.870 0.157 0.000 1.006 653 L CA -1.208 53.687 54.840 0.091 0.000 0.832 653 L CB 2.175 43.884 42.059 -0.584 0.000 1.421 653 L HN 0.406 nan 8.230 nan 0.000 0.410 654 K N 1.463 121.905 120.400 0.070 0.000 2.182 654 K HA 0.620 4.949 4.320 0.014 0.000 0.262 654 K C -1.202 175.375 176.600 -0.039 0.000 0.957 654 K CA -0.797 55.464 56.287 -0.043 0.000 0.842 654 K CB 2.336 34.725 32.500 -0.184 0.000 1.099 654 K HN 0.527 nan 8.250 nan 0.000 0.438 655 K N 2.041 122.461 120.400 0.034 0.000 2.345 655 K HA 0.206 4.534 4.320 0.014 0.000 0.255 655 K C -1.085 175.520 176.600 0.009 0.000 0.934 655 K CA -0.602 55.630 56.287 -0.092 0.000 0.801 655 K CB 2.123 34.384 32.500 -0.398 0.000 1.137 655 K HN 0.437 nan 8.250 nan 0.000 0.424 656 Q N 2.214 122.000 119.800 -0.024 0.000 2.533 656 Q HA 0.274 4.622 4.340 0.014 0.000 0.251 656 Q C 0.136 176.128 176.000 -0.013 0.000 0.966 656 Q CA 0.065 55.871 55.803 0.005 0.000 0.714 656 Q CB 1.125 29.868 28.738 0.008 0.000 1.284 656 Q HN 0.892 nan 8.270 nan 0.000 0.478 657 G N 1.979 110.771 108.800 -0.013 0.000 2.687 657 G HA2 -0.374 3.594 3.960 0.014 0.000 0.303 657 G HA3 -0.374 3.594 3.960 0.014 0.000 0.303 657 G C 0.543 175.413 174.900 -0.049 0.000 1.209 657 G CA 0.612 45.699 45.100 -0.021 0.000 0.968 657 G HN 0.593 nan 8.290 nan 0.000 0.549 658 S N 0.097 115.774 115.700 -0.038 0.000 2.523 658 S HA 0.406 4.885 4.470 0.014 0.000 0.217 658 S C 0.797 175.373 174.600 -0.041 0.000 0.996 658 S CA 1.107 59.280 58.200 -0.045 0.000 0.921 658 S CB 0.816 64.001 63.200 -0.025 0.000 0.829 658 S HN 0.968 nan 8.310 nan 0.000 0.495 659 T N 2.505 117.039 114.554 -0.033 0.000 2.856 659 T HA 0.483 4.841 4.350 0.014 0.000 0.292 659 T C -0.682 173.986 174.700 -0.054 0.000 0.980 659 T CA -0.133 61.956 62.100 -0.019 0.000 1.091 659 T CB 0.530 69.398 68.868 -0.000 0.000 0.936 659 T HN -0.064 nan 8.240 nan 0.000 0.503 660 V N 5.708 125.594 119.914 -0.047 0.000 2.407 660 V HA 0.405 4.534 4.120 0.014 0.000 0.291 660 V C 0.107 176.178 176.094 -0.040 0.000 1.018 660 V CA -0.843 61.376 62.300 -0.135 0.000 0.842 660 V CB 1.901 33.607 31.823 -0.196 0.000 0.996 660 V HN 1.051 nan 8.190 nan 0.000 0.426 661 T N 3.646 118.181 114.554 -0.032 0.000 2.770 661 T HA 0.412 4.771 4.350 0.014 0.000 0.297 661 T C -0.583 174.238 174.700 0.202 0.000 0.997 661 T CA -0.322 61.856 62.100 0.129 0.000 0.949 661 T CB 0.337 69.273 68.868 0.114 0.000 0.941 661 T HN 0.531 nan 8.240 nan 0.000 0.457 662 W N 1.841 123.253 121.300 0.187 0.000 2.303 662 W HA 0.356 5.024 4.660 0.015 0.000 0.334 662 W C 0.853 177.432 176.519 0.100 0.000 1.197 662 W CA -0.893 56.540 57.345 0.148 0.000 1.262 662 W CB 0.517 29.998 29.460 0.034 0.000 1.153 662 W HN 0.567 nan 8.180 nan 0.000 0.596 663 E N 0.716 120.978 120.200 0.102 0.000 2.404 663 E HA 0.235 4.594 4.350 0.014 0.000 0.261 663 E C 0.552 177.083 176.600 -0.114 0.000 1.074 663 E CA -0.037 56.101 56.400 -0.437 0.000 0.917 663 E CB 0.585 29.908 29.700 -0.628 0.000 0.965 663 E HN 0.590 nan 8.360 nan 0.000 0.433 664 G N 0.275 108.974 108.800 -0.168 0.000 2.528 664 G HA2 0.562 4.531 3.960 0.014 0.000 0.289 664 G HA3 0.562 4.531 3.960 0.014 0.000 0.289 664 G C 0.095 174.920 174.900 -0.124 0.000 1.192 664 G CA 0.155 45.203 45.100 -0.087 0.000 0.921 664 G HN 0.728 nan 8.290 nan 0.000 0.512 665 G N -1.516 107.227 108.800 -0.096 0.000 2.566 665 G HA2 0.441 4.410 3.960 0.014 0.000 0.599 665 G HA3 0.441 4.410 3.960 0.014 0.000 0.599 665 G C 0.127 174.963 174.900 -0.107 0.000 1.292 665 G CA -0.040 45.004 45.100 -0.093 0.000 0.922 665 G HN 1.955 nan 8.290 nan 0.000 0.514 666 A N -0.107 122.657 122.820 -0.093 0.000 2.313 666 A HA 0.637 4.966 4.320 0.014 0.000 0.261 666 A C 0.729 178.250 177.584 -0.106 0.000 1.090 666 A CA 0.043 52.020 52.037 -0.099 0.000 0.807 666 A CB 0.098 19.055 19.000 -0.070 0.000 1.055 666 A HN 0.991 nan 8.150 nan 0.000 0.492 667 N N 1.021 119.658 118.700 -0.104 0.000 2.479 667 N HA 0.117 4.866 4.740 0.014 0.000 0.257 667 N C -0.018 175.414 175.510 -0.132 0.000 1.232 667 N CA 0.256 53.265 53.050 -0.069 0.000 0.920 667 N CB 0.364 38.878 38.487 0.046 0.000 1.105 667 N HN 0.533 nan 8.380 nan 0.000 0.444 668 R N 0.249 120.551 120.500 -0.330 0.000 2.539 668 R HA 0.297 4.646 4.340 0.014 0.000 0.275 668 R C 0.267 176.293 176.300 -0.456 0.000 1.077 668 R CA -0.250 55.519 56.100 -0.552 0.000 1.097 668 R CB 0.273 29.865 30.300 -1.180 0.000 1.018 668 R HN 0.607 nan 8.270 nan 0.000 0.483 669 T N -0.948 113.560 114.554 -0.076 0.000 2.908 669 T HA 0.675 5.034 4.350 0.014 0.000 0.290 669 T C -0.767 174.249 174.700 0.528 0.000 1.034 669 T CA -0.778 61.453 62.100 0.218 0.000 1.010 669 T CB 1.445 70.406 68.868 0.155 0.000 1.068 669 T HN 0.504 nan 8.240 nan 0.000 0.481 670 F N 0.665 120.861 119.950 0.410 0.000 2.628 670 F HA 0.552 5.088 4.527 0.014 0.000 0.309 670 F C -1.171 174.742 175.800 0.187 0.000 1.108 670 F CA -0.591 57.595 58.000 0.311 0.000 0.971 670 F CB 1.921 41.154 39.000 0.387 0.000 1.279 670 F HN 0.714 nan 8.300 nan 0.000 0.441 671 T N 3.869 118.098 114.554 -0.542 0.000 2.733 671 T HA 0.382 4.741 4.350 0.014 0.000 0.294 671 T C 0.013 174.157 174.700 -0.927 0.000 0.956 671 T CA -0.344 61.469 62.100 -0.479 0.000 0.987 671 T CB 0.481 69.199 68.868 -0.250 0.000 0.920 671 T HN 0.749 nan 8.240 nan 0.000 0.470 672 T N 3.136 117.350 114.554 -0.567 0.000 2.918 672 T HA 0.312 4.671 4.350 0.014 0.000 0.302 672 T C -2.308 172.271 174.700 -0.203 0.000 1.045 672 T CA -1.603 60.283 62.100 -0.357 0.000 1.114 672 T CB 0.258 69.115 68.868 -0.018 0.000 0.965 672 T HN 0.235 nan 8.240 nan 0.000 0.540 673 P HA 0.102 nan 4.420 nan 0.000 0.270 673 P C 1.170 178.467 177.300 -0.004 0.000 1.223 673 P CA -0.291 62.793 63.100 -0.027 0.000 0.785 673 P CB 0.506 32.227 31.700 0.036 0.000 0.923 674 T N -2.443 112.111 114.554 -0.000 0.000 3.055 674 T HA 0.066 4.425 4.350 0.014 0.000 0.265 674 T C 0.702 175.416 174.700 0.023 0.000 1.111 674 T CA 0.487 62.592 62.100 0.008 0.000 1.118 674 T CB -0.455 68.415 68.868 0.004 0.000 0.909 674 T HN 0.654 nan 8.240 nan 0.000 0.501 675 S N -1.343 114.379 115.700 0.037 0.000 2.567 675 S HA 0.661 5.139 4.470 0.014 0.000 0.270 675 S C 0.071 174.715 174.600 0.073 0.000 1.152 675 S CA -0.530 57.701 58.200 0.052 0.000 0.835 675 S CB 1.318 64.543 63.200 0.043 0.000 1.115 675 S HN 1.435 nan 8.310 nan 0.000 0.459 676 G N 0.874 109.734 108.800 0.101 0.000 2.615 676 G HA2 0.276 4.245 3.960 0.014 0.000 0.218 676 G HA3 0.276 4.245 3.960 0.014 0.000 0.218 676 G C -0.177 174.808 174.900 0.141 0.000 1.339 676 G CA 0.255 45.426 45.100 0.119 0.000 0.884 676 G HN 2.252 nan 8.290 nan 0.000 0.559 677 T N -2.294 112.343 114.554 0.139 0.000 2.910 677 T HA 1.050 5.408 4.350 0.014 0.000 0.287 677 T C 0.077 174.860 174.700 0.139 0.000 1.050 677 T CA 0.503 62.696 62.100 0.155 0.000 1.011 677 T CB 1.850 70.818 68.868 0.167 0.000 1.195 677 T HN 2.606 nan 8.240 nan 0.000 0.540 678 A N 0.183 123.086 122.820 0.137 0.000 2.609 678 A HA 0.797 5.126 4.320 0.014 0.000 0.291 678 A C -0.697 176.891 177.584 0.007 0.000 1.096 678 A CA -0.924 51.194 52.037 0.136 0.000 0.684 678 A CB 1.479 20.683 19.000 0.340 0.000 1.282 678 A HN 0.901 nan 8.150 nan 0.000 0.412 679 T N 0.704 115.223 114.554 -0.057 0.000 2.848 679 T HA 0.563 4.922 4.350 0.014 0.000 0.285 679 T C -1.091 173.426 174.700 -0.304 0.000 0.995 679 T CA -0.320 61.696 62.100 -0.140 0.000 0.970 679 T CB 1.411 70.280 68.868 0.002 0.000 0.976 679 T HN 0.634 nan 8.240 nan 0.000 0.441 680 V N 4.448 124.067 119.914 -0.491 0.000 2.370 680 V HA 0.505 4.633 4.120 0.014 0.000 0.283 680 V C -0.112 175.885 176.094 -0.162 0.000 1.023 680 V CA -0.870 61.139 62.300 -0.484 0.000 0.857 680 V CB 1.459 32.784 31.823 -0.831 0.000 0.985 680 V HN 0.756 nan 8.190 nan 0.000 0.443 681 N N 4.224 122.887 118.700 -0.062 0.000 2.407 681 N HA 0.657 5.405 4.740 0.014 0.000 0.277 681 N C -0.866 174.656 175.510 0.019 0.000 0.995 681 N CA -0.128 52.899 53.050 -0.039 0.000 0.903 681 N CB 2.155 40.618 38.487 -0.040 0.000 1.218 681 N HN 0.561 nan 8.380 nan 0.000 0.487 682 V N 0.809 120.737 119.914 0.023 0.000 3.167 682 V HA 0.686 4.814 4.120 0.014 0.000 0.310 682 V C -0.414 175.678 176.094 -0.004 0.000 1.207 682 V CA -1.091 61.240 62.300 0.051 0.000 1.059 682 V CB 2.060 33.983 31.823 0.167 0.000 1.079 682 V HN 0.533 nan 8.190 nan 0.000 0.446 683 N N 0.773 119.485 118.700 0.021 0.000 2.361 683 N HA 0.253 5.001 4.740 0.014 0.000 0.302 683 N C -1.134 174.415 175.510 0.064 0.000 1.074 683 N CA -0.435 52.639 53.050 0.040 0.000 0.850 683 N CB 2.032 40.550 38.487 0.052 0.000 1.228 683 N HN 0.954 nan 8.380 nan 0.000 0.491 684 W N 2.604 123.865 121.300 -0.065 0.000 2.347 684 W HA -0.020 4.648 4.660 0.014 0.000 0.333 684 W C -0.474 176.052 176.519 0.012 0.000 1.383 684 W CA 0.421 57.746 57.345 -0.034 0.000 1.283 684 W CB 0.595 30.029 29.460 -0.044 0.000 1.253 684 W HN 0.299 nan 8.180 nan 0.000 0.563 685 Q N 7.269 126.757 119.800 -0.520 0.000 2.340 685 Q HA 0.317 4.666 4.340 0.014 0.000 0.259 685 Q C -1.968 173.761 176.000 -0.452 0.000 0.964 685 Q CA -1.788 53.815 55.803 -0.332 0.000 0.900 685 Q CB 1.555 30.134 28.738 -0.265 0.000 1.228 685 Q HN 0.242 nan 8.270 nan 0.000 0.449 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.217 63.100 0.195 0.000 0.800 686 P CB 0.000 31.835 31.700 0.225 0.000 0.726