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 2bku_1_D DATA FIRST_RESID 1 DATA SEQUENCE MSTAEFAQLL ENSILSPDQN IRLTSETQLK KLSNDNFLQF AGLSSQVLID DATA SEQUENCE ENTKLEGRIL AALTLKNELV SKDSVKTQQF AQRWITQVSP EAKNQIKTNA DATA SEQUENCE LTALVSIEPR IANAAAQLIA AIADIELPHG AWPELMKIMV DNTGAEQPEN DATA SEQUENCE VKRASLLALG YMCESADPQS QALVSSSNNI LIAIVQGAQS TETSKAVRLA DATA SEQUENCE ALNALADSLI FIKNNMEREG ERNYLMQVVC EATQAEDIEV QAAAFGCLCK DATA SEQUENCE IMSKYYTFMK PYMEQALYAL TIATMKSPND KVASMTVEFW STICEEEIDI DATA SEQUENCE AYELAQFPQS PLQSYNFALS SIKDVVPNLL NLLTRQNEDP EDDDWNVSMS DATA SEQUENCE AGACLQLFAQ NCGNHILEPV LEFVEQNITA DNWRNREAAV MAFGSIMDGP DATA SEQUENCE DKVQRTYYVH QALPSILNLM NDQSLQVKET TAWCIGRIAD SVAESIDPQQ DATA SEQUENCE HLPGVVQACL IGLQDHPKVA TNCSWTIINL VEQLAEATPS PIYNFYPALV DATA SEQUENCE DGLIGAANRI DNEFNARASA FSALTTMVEY ATDTVAETSA SISTFVMDKL DATA SEQUENCE GQTMSVXXXX XXXEDAQSLQ ELQSNILTVL AAVIRKSPSS VEPVADMLMG DATA SEQUENCE LFFRLLEKKD SAFIEDDVFY AISALAASLG KGFEKYLETF SPYLLKALNQ DATA SEQUENCE VDSPVSITAV GFIADISNSL EEDFRRYSDA MMNVLAQMIS NPNARRELKP DATA SEQUENCE AVLSVFGDIA SNIGADFIPY LNDIMALCVA AQNTKPENGT LEALDYQIKV DATA SEQUENCE LEAVLDAYVG IVAGLHDKPE ALFPYVGTIF QFIAQVAEDP QLYSEDATSR DATA SEQUENCE AAVGLIGDIA AMFPDGSIKQ FYGQDWVIDY IKRTRSGQLF SQATKDTARW DATA SEQUENCE AREQQKRQLS L 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.299 176.300 -0.001 0.000 1.140 1 M CA 0.000 55.309 55.300 0.016 0.000 0.988 1 M CB 0.000 32.631 32.600 0.052 0.000 1.302 2 S N 1.306 117.017 115.700 0.020 0.000 2.564 2 S HA 0.226 4.698 4.470 0.002 0.000 0.278 2 S C 0.969 175.587 174.600 0.031 0.000 1.333 2 S CA 0.383 58.590 58.200 0.013 0.000 1.048 2 S CB 1.132 64.344 63.200 0.020 0.000 0.900 2 S HN 0.779 nan 8.310 nan 0.000 0.505 3 T N 4.731 119.285 114.554 0.001 0.000 2.759 3 T HA -0.098 4.253 4.350 0.002 0.000 0.269 3 T C 1.979 176.727 174.700 0.081 0.000 1.042 3 T CA 1.602 63.710 62.100 0.013 0.000 1.140 3 T CB -0.484 68.368 68.868 -0.027 0.000 0.864 3 T HN 0.752 nan 8.240 nan 0.000 0.455 4 A N 1.475 124.325 122.820 0.051 0.000 1.897 4 A HA -0.065 4.256 4.320 0.002 0.000 0.215 4 A C 2.182 179.800 177.584 0.057 0.000 1.181 4 A CA 1.369 53.434 52.037 0.047 0.000 0.620 4 A CB -0.448 18.567 19.000 0.024 0.000 0.821 4 A HN 0.542 nan 8.150 nan 0.000 0.443 5 E N -1.230 119.009 120.200 0.065 0.000 2.085 5 E HA -0.199 4.152 4.350 0.002 0.000 0.194 5 E C 1.743 178.393 176.600 0.083 0.000 0.994 5 E CA 1.364 57.801 56.400 0.062 0.000 0.801 5 E CB -0.304 29.434 29.700 0.063 0.000 0.743 5 E HN 0.670 nan 8.360 nan 0.000 0.453 6 F N 1.466 121.400 119.950 -0.027 0.000 2.095 6 F HA -0.218 4.310 4.527 0.002 0.000 0.298 6 F C 2.241 178.014 175.800 -0.044 0.000 1.104 6 F CA 1.514 59.491 58.000 -0.039 0.000 1.232 6 F CB -0.281 38.675 39.000 -0.074 0.000 0.987 6 F HN -0.044 nan 8.300 nan 0.000 0.475 7 A N -0.527 122.339 122.820 0.077 0.000 1.972 7 A HA -0.247 4.074 4.320 0.002 0.000 0.219 7 A C 2.054 179.592 177.584 -0.076 0.000 1.169 7 A CA 1.732 53.760 52.037 -0.015 0.000 0.635 7 A CB -0.861 18.163 19.000 0.041 0.000 0.810 7 A HN 0.508 nan 8.150 nan 0.000 0.446 8 Q N -0.102 119.667 119.800 -0.051 0.000 2.119 8 Q HA -0.024 4.318 4.340 0.002 0.000 0.201 8 Q C 1.856 177.805 176.000 -0.084 0.000 0.972 8 Q CA 1.439 57.212 55.803 -0.050 0.000 0.847 8 Q CB -0.474 28.250 28.738 -0.022 0.000 0.903 8 Q HN 0.686 nan 8.270 nan 0.000 0.433 9 L N -0.607 120.536 121.223 -0.133 0.000 2.046 9 L HA -0.186 4.155 4.340 0.002 0.000 0.208 9 L C 2.258 179.013 176.870 -0.192 0.000 1.077 9 L CA 0.906 55.649 54.840 -0.162 0.000 0.747 9 L CB -0.504 41.427 42.059 -0.213 0.000 0.896 9 L HN 0.257 nan 8.230 nan 0.000 0.432 10 L N -0.432 120.624 121.223 -0.279 0.000 1.994 10 L HA -0.233 4.108 4.340 0.002 0.000 0.208 10 L C 2.641 179.444 176.870 -0.112 0.000 1.071 10 L CA 1.489 56.200 54.840 -0.215 0.000 0.745 10 L CB -0.515 41.401 42.059 -0.239 0.000 0.892 10 L HN 0.266 nan 8.230 nan 0.000 0.431 11 E N -0.067 120.080 120.200 -0.090 0.000 2.085 11 E HA -0.230 4.122 4.350 0.002 0.000 0.194 11 E C 1.906 178.479 176.600 -0.044 0.000 0.994 11 E CA 1.401 57.770 56.400 -0.052 0.000 0.801 11 E CB -0.175 29.502 29.700 -0.039 0.000 0.743 11 E HN 0.447 nan 8.360 nan 0.000 0.453 12 N N 0.281 118.951 118.700 -0.050 0.000 2.289 12 N HA -0.079 4.663 4.740 0.002 0.000 0.184 12 N C 1.739 177.229 175.510 -0.035 0.000 1.016 12 N CA 0.747 53.774 53.050 -0.038 0.000 0.872 12 N CB -0.218 38.247 38.487 -0.037 0.000 0.973 12 N HN -0.042 nan 8.380 nan 0.000 0.433 13 S N 0.512 116.185 115.700 -0.045 0.000 2.383 13 S HA -0.063 4.409 4.470 0.002 0.000 0.229 13 S C 1.807 176.394 174.600 -0.021 0.000 1.030 13 S CA 1.152 59.332 58.200 -0.034 0.000 1.002 13 S CB -0.128 63.048 63.200 -0.041 0.000 0.829 13 S HN 0.587 nan 8.310 nan 0.000 0.467 14 I N -3.270 117.287 120.570 -0.022 0.000 4.323 14 I HA 0.320 4.492 4.170 0.002 0.000 0.328 14 I C 1.228 177.338 176.117 -0.012 0.000 1.310 14 I CA 0.226 61.518 61.300 -0.014 0.000 1.186 14 I CB 0.026 38.020 38.000 -0.011 0.000 1.130 14 I HN 0.076 nan 8.210 nan 0.000 0.411 15 L N 0.552 121.766 121.223 -0.015 0.000 2.515 15 L HA 0.272 4.613 4.340 0.002 0.000 0.223 15 L C 1.313 178.177 176.870 -0.011 0.000 1.079 15 L CA 0.084 54.917 54.840 -0.012 0.000 0.857 15 L CB 0.225 42.276 42.059 -0.013 0.000 1.050 15 L HN 0.123 nan 8.230 nan 0.000 0.476 16 S N 1.281 116.974 115.700 -0.013 0.000 2.537 16 S HA 0.082 4.553 4.470 0.002 0.000 0.286 16 S C -1.253 173.342 174.600 -0.008 0.000 1.299 16 S CA -1.099 57.095 58.200 -0.011 0.000 1.067 16 S CB 0.737 63.930 63.200 -0.012 0.000 0.864 16 S HN 0.028 nan 8.310 nan 0.000 0.494 17 P HA 0.042 nan 4.420 nan 0.000 0.231 17 P C -0.017 177.280 177.300 -0.004 0.000 1.168 17 P CA 0.302 63.399 63.100 -0.005 0.000 0.779 17 P CB -0.043 31.655 31.700 -0.004 0.000 0.844 18 D N 0.984 121.381 120.400 -0.005 0.000 2.325 18 D HA -0.001 4.640 4.640 0.002 0.000 0.251 18 D C 1.290 177.587 176.300 -0.004 0.000 1.196 18 D CA -0.012 53.986 54.000 -0.004 0.000 0.866 18 D CB 1.151 41.949 40.800 -0.004 0.000 1.101 18 D HN 0.151 nan 8.370 nan 0.000 0.476 19 Q N 3.345 123.143 119.800 -0.003 0.000 2.170 19 Q HA -0.170 4.171 4.340 0.002 0.000 0.203 19 Q C 0.886 176.885 176.000 -0.003 0.000 0.976 19 Q CA 1.045 56.846 55.803 -0.003 0.000 0.858 19 Q CB -0.054 28.683 28.738 -0.002 0.000 0.907 19 Q HN 0.355 nan 8.270 nan 0.000 0.433 20 N N 0.873 119.572 118.700 -0.002 0.000 2.270 20 N HA -0.043 4.698 4.740 0.002 0.000 0.181 20 N C 1.768 177.276 175.510 -0.003 0.000 1.016 20 N CA 0.928 53.977 53.050 -0.002 0.000 0.870 20 N CB -0.037 38.449 38.487 -0.001 0.000 0.979 20 N HN 0.260 nan 8.380 nan 0.000 0.431 21 I N 1.909 122.477 120.570 -0.005 0.000 2.099 21 I HA -0.215 3.956 4.170 0.002 0.000 0.239 21 I C 2.325 178.436 176.117 -0.009 0.000 1.066 21 I CA 1.131 62.427 61.300 -0.007 0.000 1.324 21 I CB -1.029 36.966 38.000 -0.009 0.000 1.037 21 I HN 0.118 nan 8.210 nan 0.000 0.401 22 R N 0.228 120.723 120.500 -0.009 0.000 2.112 22 R HA -0.236 4.105 4.340 0.002 0.000 0.242 22 R C 2.262 178.557 176.300 -0.008 0.000 1.137 22 R CA 1.518 57.612 56.100 -0.011 0.000 0.944 22 R CB -0.809 29.486 30.300 -0.008 0.000 0.857 22 R HN 0.233 nan 8.270 nan 0.000 0.435 23 L N 0.830 122.051 121.223 -0.004 0.000 1.989 23 L HA -0.175 4.166 4.340 0.002 0.000 0.211 23 L C 2.071 178.941 176.870 -0.001 0.000 1.071 23 L CA 2.055 56.894 54.840 -0.001 0.000 0.749 23 L CB -0.947 41.112 42.059 -0.000 0.000 0.890 23 L HN 0.113 nan 8.230 nan 0.000 0.431 24 T N -0.731 113.822 114.554 -0.002 0.000 2.684 24 T HA -0.181 4.170 4.350 0.002 0.000 0.267 24 T C 1.934 176.633 174.700 -0.002 0.000 1.036 24 T CA 1.801 63.901 62.100 -0.000 0.000 1.148 24 T CB -0.367 68.500 68.868 -0.000 0.000 0.863 24 T HN 0.455 nan 8.240 nan 0.000 0.436 25 S N 0.766 116.459 115.700 -0.010 0.000 2.368 25 S HA -0.109 4.362 4.470 0.002 0.000 0.225 25 S C 2.043 176.631 174.600 -0.020 0.000 1.030 25 S CA 1.069 59.255 58.200 -0.023 0.000 0.999 25 S CB -0.283 62.895 63.200 -0.037 0.000 0.844 25 S HN 0.600 nan 8.310 nan 0.000 0.459 26 E N 0.765 120.959 120.200 -0.011 0.000 2.110 26 E HA -0.145 4.206 4.350 0.002 0.000 0.193 26 E C 1.739 178.346 176.600 0.012 0.000 0.988 26 E CA 1.472 57.872 56.400 0.001 0.000 0.804 26 E CB -0.104 29.599 29.700 0.003 0.000 0.745 26 E HN 0.475 nan 8.360 nan 0.000 0.458 27 T N 0.591 115.151 114.554 0.009 0.000 2.708 27 T HA -0.214 4.137 4.350 0.002 0.000 0.266 27 T C 1.827 176.540 174.700 0.022 0.000 1.037 27 T CA 1.526 63.633 62.100 0.013 0.000 1.146 27 T CB -0.304 68.570 68.868 0.010 0.000 0.865 27 T HN 0.149 nan 8.240 nan 0.000 0.435 28 Q N 0.862 120.678 119.800 0.025 0.000 2.170 28 Q HA 0.058 4.399 4.340 0.002 0.000 0.203 28 Q C 2.048 178.098 176.000 0.082 0.000 0.976 28 Q CA 1.265 57.094 55.803 0.045 0.000 0.858 28 Q CB -0.696 28.063 28.738 0.036 0.000 0.907 28 Q HN 0.523 nan 8.270 nan 0.000 0.433 29 L N -0.100 121.170 121.223 0.078 0.000 2.093 29 L HA -0.155 4.186 4.340 0.002 0.000 0.208 29 L C 2.312 179.257 176.870 0.126 0.000 1.085 29 L CA 1.293 56.242 54.840 0.180 0.000 0.755 29 L CB -0.385 41.753 42.059 0.132 0.000 0.904 29 L HN 0.158 nan 8.230 nan 0.000 0.435 30 K N 1.163 121.580 120.400 0.028 0.000 2.025 30 K HA -0.194 4.127 4.320 0.002 0.000 0.207 30 K C 2.073 178.637 176.600 -0.060 0.000 1.049 30 K CA 1.631 57.888 56.287 -0.051 0.000 0.933 30 K CB -0.102 32.385 32.500 -0.020 0.000 0.714 30 K HN 0.307 nan 8.250 nan 0.000 0.438 31 K N 0.273 120.673 120.400 -0.001 0.000 2.057 31 K HA -0.103 4.218 4.320 0.002 0.000 0.206 31 K C 2.146 178.762 176.600 0.027 0.000 1.050 31 K CA 1.406 57.699 56.287 0.010 0.000 0.935 31 K CB -0.543 31.973 32.500 0.025 0.000 0.715 31 K HN 0.177 nan 8.250 nan 0.000 0.439 32 L N 1.323 122.595 121.223 0.082 0.000 2.127 32 L HA -0.178 4.164 4.340 0.002 0.000 0.211 32 L C 2.537 179.465 176.870 0.096 0.000 1.089 32 L CA 1.375 56.310 54.840 0.158 0.000 0.757 32 L CB -0.350 41.912 42.059 0.338 0.000 0.899 32 L HN 0.419 nan 8.230 nan 0.000 0.434 33 S N -0.278 115.327 115.700 -0.159 0.000 2.382 33 S HA -0.156 4.316 4.470 0.002 0.000 0.228 33 S C 1.675 176.232 174.600 -0.071 0.000 1.027 33 S CA 1.451 59.407 58.200 -0.406 0.000 0.991 33 S CB -0.162 62.542 63.200 -0.826 0.000 0.823 33 S HN 0.551 nan 8.310 nan 0.000 0.469 34 N N 1.281 119.945 118.700 -0.060 0.000 2.173 34 N HA -0.044 4.698 4.740 0.002 0.000 0.184 34 N C 1.171 176.695 175.510 0.023 0.000 1.025 34 N CA 1.349 54.388 53.050 -0.019 0.000 0.852 34 N CB -0.589 37.887 38.487 -0.018 0.000 0.998 34 N HN 0.395 nan 8.380 nan 0.000 0.427 35 D N 0.299 120.719 120.400 0.034 0.000 2.149 35 D HA -0.046 4.596 4.640 0.002 0.000 0.201 35 D C 0.377 176.712 176.300 0.057 0.000 0.972 35 D CA 1.147 55.172 54.000 0.042 0.000 0.835 35 D CB -0.094 40.732 40.800 0.042 0.000 0.966 35 D HN 0.110 nan 8.370 nan 0.000 0.476 36 N N -0.522 118.228 118.700 0.084 0.000 2.716 36 N HA 0.011 4.752 4.740 0.002 0.000 0.245 36 N C -0.251 175.338 175.510 0.131 0.000 1.495 36 N CA -0.384 52.718 53.050 0.086 0.000 0.759 36 N CB -0.250 38.270 38.487 0.055 0.000 1.261 36 N HN -0.188 nan 8.380 nan 0.000 0.515 37 F N 1.734 121.690 119.950 0.010 0.000 2.134 37 F HA -0.100 4.429 4.527 0.002 0.000 0.299 37 F C 1.748 177.584 175.800 0.060 0.000 1.097 37 F CA 1.090 59.110 58.000 0.033 0.000 1.264 37 F CB 0.002 38.997 39.000 -0.009 0.000 1.001 37 F HN 0.427 nan 8.300 nan 0.000 0.479 38 L N 0.719 121.936 121.223 -0.010 0.000 1.978 38 L HA -0.306 4.036 4.340 0.002 0.000 0.218 38 L C 2.512 179.256 176.870 -0.209 0.000 1.075 38 L CA 2.539 57.294 54.840 -0.141 0.000 0.767 38 L CB -1.331 40.681 42.059 -0.079 0.000 0.890 38 L HN 0.409 nan 8.230 nan 0.000 0.434 39 Q N -1.662 118.058 119.800 -0.133 0.000 2.084 39 Q HA -0.260 4.081 4.340 0.002 0.000 0.202 39 Q C 2.328 178.177 176.000 -0.251 0.000 0.978 39 Q CA 2.083 57.786 55.803 -0.166 0.000 0.844 39 Q CB -0.389 28.289 28.738 -0.099 0.000 0.898 39 Q HN 0.576 nan 8.270 nan 0.000 0.426 40 F N 0.822 120.580 119.950 -0.321 0.000 2.065 40 F HA -0.263 4.265 4.527 0.002 0.000 0.298 40 F C 2.074 177.615 175.800 -0.432 0.000 1.112 40 F CA 1.789 59.589 58.000 -0.333 0.000 1.212 40 F CB -0.524 38.401 39.000 -0.125 0.000 0.975 40 F HN 0.158 nan 8.300 nan 0.000 0.476 41 A N 0.455 123.040 122.820 -0.391 0.000 1.865 41 A HA -0.121 4.200 4.320 0.002 0.000 0.217 41 A C 2.521 179.905 177.584 -0.333 0.000 1.191 41 A CA 1.991 53.797 52.037 -0.385 0.000 0.623 41 A CB -1.887 16.826 19.000 -0.478 0.000 0.826 41 A HN 0.549 nan 8.150 nan 0.000 0.444 42 G N -0.255 108.348 108.800 -0.329 0.000 2.476 42 G HA2 -0.237 3.725 3.960 0.002 0.000 0.218 42 G HA3 -0.237 3.725 3.960 0.002 0.000 0.218 42 G C 1.577 176.272 174.900 -0.341 0.000 1.164 42 G CA 1.230 46.163 45.100 -0.278 0.000 0.768 42 G HN 0.446 nan 8.290 nan 0.000 0.560 43 L N 0.496 121.394 121.223 -0.542 0.000 2.093 43 L HA -0.054 4.288 4.340 0.002 0.000 0.208 43 L C 3.218 179.717 176.870 -0.618 0.000 1.085 43 L CA 1.058 55.469 54.840 -0.714 0.000 0.755 43 L CB -0.405 40.883 42.059 -1.285 0.000 0.904 43 L HN 0.175 nan 8.230 nan 0.000 0.435 44 S N -0.079 115.228 115.700 -0.655 0.000 2.359 44 S HA -0.213 4.259 4.470 0.002 0.000 0.224 44 S C 2.168 176.693 174.600 -0.125 0.000 1.035 44 S CA 1.782 59.831 58.200 -0.251 0.000 1.018 44 S CB -0.327 62.672 63.200 -0.336 0.000 0.876 44 S HN 0.636 nan 8.310 nan 0.000 0.448 45 S N 0.904 116.514 115.700 -0.151 0.000 2.474 45 S HA -0.043 4.428 4.470 0.002 0.000 0.235 45 S C 1.686 176.246 174.600 -0.067 0.000 0.997 45 S CA 0.695 58.848 58.200 -0.078 0.000 0.949 45 S CB -0.279 62.881 63.200 -0.066 0.000 0.766 45 S HN 0.531 nan 8.310 nan 0.000 0.517 46 Q N 0.326 120.066 119.800 -0.099 0.000 2.165 46 Q HA 0.120 4.461 4.340 0.002 0.000 0.197 46 Q C 2.282 178.264 176.000 -0.029 0.000 0.952 46 Q CA 1.154 56.915 55.803 -0.070 0.000 0.848 46 Q CB -0.195 28.483 28.738 -0.099 0.000 0.931 46 Q HN 0.478 nan 8.270 nan 0.000 0.470 47 V N 1.492 121.403 119.914 -0.004 0.000 2.490 47 V HA -0.244 3.877 4.120 0.002 0.000 0.250 47 V C 2.197 178.303 176.094 0.021 0.000 1.061 47 V CA 1.161 63.483 62.300 0.037 0.000 1.064 47 V CB -0.532 31.357 31.823 0.111 0.000 0.670 47 V HN 0.316 nan 8.190 nan 0.000 0.461 48 L N 1.167 122.397 121.223 0.012 0.000 1.997 48 L HA -0.190 4.151 4.340 0.002 0.000 0.216 48 L C 2.061 178.938 176.870 0.010 0.000 1.074 48 L CA 2.558 57.405 54.840 0.012 0.000 0.763 48 L CB -0.558 41.507 42.059 0.009 0.000 0.890 48 L HN 0.546 nan 8.230 nan 0.000 0.434 49 I N -3.352 117.220 120.570 0.004 0.000 3.812 49 I HA 0.190 4.361 4.170 0.002 0.000 0.320 49 I C 0.019 176.137 176.117 0.003 0.000 1.276 49 I CA -0.240 61.063 61.300 0.005 0.000 1.164 49 I CB -0.586 37.415 38.000 0.003 0.000 1.009 49 I HN 0.156 nan 8.210 nan 0.000 0.431 50 D N 2.445 122.847 120.400 0.003 0.000 2.336 50 D HA 0.045 4.687 4.640 0.002 0.000 0.249 50 D C 1.210 177.512 176.300 0.005 0.000 1.213 50 D CA -0.018 53.984 54.000 0.003 0.000 0.870 50 D CB 0.943 41.747 40.800 0.006 0.000 1.076 50 D HN 0.111 nan 8.370 nan 0.000 0.483 51 E N 2.875 123.077 120.200 0.003 0.000 2.268 51 E HA -0.127 4.225 4.350 0.002 0.000 0.195 51 E C 0.716 177.318 176.600 0.003 0.000 0.995 51 E CA 0.534 56.937 56.400 0.003 0.000 0.836 51 E CB 0.087 29.788 29.700 0.002 0.000 0.763 51 E HN 0.559 nan 8.360 nan 0.000 0.491 52 N N 0.712 119.413 118.700 0.003 0.000 2.467 52 N HA -0.019 4.722 4.740 0.002 0.000 0.184 52 N C 0.127 175.639 175.510 0.003 0.000 1.106 52 N CA 0.349 53.401 53.050 0.002 0.000 0.892 52 N CB 0.435 38.923 38.487 0.002 0.000 0.969 52 N HN 0.001 nan 8.380 nan 0.000 0.454 53 T N 1.400 115.956 114.554 0.004 0.000 2.882 53 T HA 0.224 4.575 4.350 0.002 0.000 0.287 53 T C 0.569 175.269 174.700 0.001 0.000 0.992 53 T CA -0.477 61.625 62.100 0.003 0.000 1.076 53 T CB 1.829 70.700 68.868 0.006 0.000 0.961 53 T HN -0.064 nan 8.240 nan 0.000 0.490 54 K N 1.709 122.107 120.400 -0.002 0.000 2.397 54 K HA 0.150 4.472 4.320 0.002 0.000 0.265 54 K C 1.474 178.073 176.600 -0.001 0.000 0.982 54 K CA -0.390 55.895 56.287 -0.002 0.000 0.931 54 K CB 0.407 32.904 32.500 -0.005 0.000 0.943 54 K HN 0.467 nan 8.250 nan 0.000 0.501 55 L N 1.747 122.971 121.223 0.002 0.000 1.990 55 L HA -0.313 4.028 4.340 0.002 0.000 0.213 55 L C 1.927 178.799 176.870 0.003 0.000 1.072 55 L CA 1.726 56.569 54.840 0.004 0.000 0.755 55 L CB -0.207 41.855 42.059 0.006 0.000 0.889 55 L HN 0.672 nan 8.230 nan 0.000 0.432 56 E N -0.385 119.815 120.200 -0.000 0.000 2.085 56 E HA -0.193 4.158 4.350 0.002 0.000 0.194 56 E C 1.996 178.592 176.600 -0.007 0.000 0.994 56 E CA 1.324 57.722 56.400 -0.002 0.000 0.801 56 E CB -0.525 29.172 29.700 -0.005 0.000 0.743 56 E HN 0.578 nan 8.360 nan 0.000 0.453 57 G N 0.356 109.148 108.800 -0.013 0.000 2.408 57 G HA2 -0.259 3.703 3.960 0.002 0.000 0.217 57 G HA3 -0.259 3.703 3.960 0.002 0.000 0.217 57 G C 1.481 176.374 174.900 -0.012 0.000 1.150 57 G CA 0.582 45.668 45.100 -0.024 0.000 0.776 57 G HN 0.113 nan 8.290 nan 0.000 0.542 58 R N -0.131 120.369 120.500 -0.000 0.000 2.075 58 R HA 0.124 4.465 4.340 0.002 0.000 0.232 58 R C 2.547 178.854 176.300 0.013 0.000 1.126 58 R CA 0.939 57.045 56.100 0.009 0.000 0.963 58 R CB -0.391 29.915 30.300 0.011 0.000 0.858 58 R HN 0.347 nan 8.270 nan 0.000 0.435 59 I N 0.728 121.305 120.570 0.012 0.000 2.208 59 I HA -0.281 3.890 4.170 0.002 0.000 0.245 59 I C 2.260 178.388 176.117 0.017 0.000 1.097 59 I CA 0.935 62.246 61.300 0.017 0.000 1.363 59 I CB -0.197 37.812 38.000 0.016 0.000 1.051 59 I HN 0.125 nan 8.210 nan 0.000 0.413 60 L N 0.899 122.128 121.223 0.009 0.000 2.093 60 L HA -0.093 4.248 4.340 0.002 0.000 0.208 60 L C 2.556 179.438 176.870 0.019 0.000 1.085 60 L CA 1.863 56.709 54.840 0.010 0.000 0.755 60 L CB -0.713 41.340 42.059 -0.009 0.000 0.904 60 L HN 0.183 nan 8.230 nan 0.000 0.435 61 A N -0.390 122.437 122.820 0.012 0.000 1.865 61 A HA -0.195 4.126 4.320 0.002 0.000 0.217 61 A C 2.460 180.065 177.584 0.035 0.000 1.191 61 A CA 2.092 54.145 52.037 0.026 0.000 0.623 61 A CB -1.229 17.795 19.000 0.040 0.000 0.826 61 A HN 0.537 nan 8.150 nan 0.000 0.444 62 A N -0.472 122.368 122.820 0.033 0.000 1.902 62 A HA -0.005 4.316 4.320 0.002 0.000 0.217 62 A C 2.200 179.814 177.584 0.049 0.000 1.181 62 A CA 1.479 53.539 52.037 0.038 0.000 0.623 62 A CB -0.588 18.434 19.000 0.036 0.000 0.818 62 A HN 0.476 nan 8.150 nan 0.000 0.443 63 L N -0.371 120.880 121.223 0.047 0.000 2.056 63 L HA -0.145 4.196 4.340 0.002 0.000 0.207 63 L C 3.021 179.938 176.870 0.078 0.000 1.078 63 L CA 1.930 56.798 54.840 0.047 0.000 0.749 63 L CB -0.876 41.204 42.059 0.035 0.000 0.901 63 L HN 0.659 nan 8.230 nan 0.000 0.433 64 T N -1.864 112.756 114.554 0.110 0.000 3.014 64 T HA -0.106 4.245 4.350 0.002 0.000 0.263 64 T C 1.820 176.681 174.700 0.269 0.000 1.078 64 T CA 0.503 62.708 62.100 0.176 0.000 1.135 64 T CB -0.139 68.858 68.868 0.215 0.000 0.895 64 T HN 0.135 nan 8.240 nan 0.000 0.480 65 L N 1.376 122.752 121.223 0.254 0.000 2.093 65 L HA 0.182 4.523 4.340 0.002 0.000 0.208 65 L C 2.486 179.463 176.870 0.178 0.000 1.085 65 L CA 1.858 56.874 54.840 0.293 0.000 0.755 65 L CB -0.881 41.267 42.059 0.149 0.000 0.904 65 L HN 0.228 nan 8.230 nan 0.000 0.435 66 K N -0.471 119.991 120.400 0.104 0.000 2.097 66 K HA -0.184 4.137 4.320 0.002 0.000 0.206 66 K C 1.522 178.168 176.600 0.076 0.000 1.049 66 K CA 1.571 57.892 56.287 0.057 0.000 0.933 66 K CB -0.192 32.327 32.500 0.031 0.000 0.717 66 K HN 0.464 nan 8.250 nan 0.000 0.442 67 N N 1.174 119.932 118.700 0.096 0.000 2.550 67 N HA -0.075 4.666 4.740 0.002 0.000 0.186 67 N C 0.429 176.001 175.510 0.104 0.000 1.110 67 N CA 0.703 53.825 53.050 0.120 0.000 0.912 67 N CB 0.292 38.843 38.487 0.107 0.000 0.968 67 N HN 0.314 nan 8.380 nan 0.000 0.448 68 E N -0.112 120.062 120.200 -0.043 0.000 2.501 68 E HA 0.201 4.552 4.350 0.002 0.000 0.201 68 E C 1.310 177.550 176.600 -0.600 0.000 1.016 68 E CA -0.035 56.049 56.400 -0.525 0.000 0.920 68 E CB 0.699 30.287 29.700 -0.186 0.000 1.023 68 E HN 0.347 nan 8.360 nan 0.000 0.474 69 L N -0.630 120.539 121.223 -0.090 0.000 2.577 69 L HA 0.265 4.606 4.340 0.002 0.000 0.225 69 L C 0.608 177.617 176.870 0.232 0.000 1.053 69 L CA 0.182 55.041 54.840 0.030 0.000 0.866 69 L CB 1.015 43.041 42.059 -0.054 0.000 1.132 69 L HN -0.142 nan 8.230 nan 0.000 0.486 70 V N -1.284 118.794 119.914 0.274 0.000 3.078 70 V HA 0.692 4.814 4.120 0.002 0.000 0.311 70 V C -1.190 175.027 176.094 0.204 0.000 1.138 70 V CA -0.277 62.139 62.300 0.194 0.000 1.007 70 V CB 2.462 34.323 31.823 0.065 0.000 1.045 70 V HN 0.108 nan 8.190 nan 0.000 0.432 71 S N 2.410 118.141 115.700 0.052 0.000 2.596 71 S HA 0.483 4.954 4.470 0.002 0.000 0.270 71 S C 0.140 174.710 174.600 -0.049 0.000 1.155 71 S CA -0.492 57.696 58.200 -0.020 0.000 0.827 71 S CB 2.168 65.231 63.200 -0.228 0.000 1.130 71 S HN 0.739 nan 8.310 nan 0.000 0.467 72 K N 0.581 120.955 120.400 -0.044 0.000 2.167 72 K HA 0.048 4.369 4.320 0.002 0.000 0.203 72 K C 0.252 176.816 176.600 -0.061 0.000 1.052 72 K CA 0.539 56.802 56.287 -0.041 0.000 0.956 72 K CB -0.042 32.442 32.500 -0.027 0.000 0.735 72 K HN 0.560 nan 8.250 nan 0.000 0.451 73 D N 0.547 120.891 120.400 -0.094 0.000 2.351 73 D HA -0.022 4.620 4.640 0.002 0.000 0.251 73 D C 0.826 177.048 176.300 -0.129 0.000 1.137 73 D CA 0.069 54.004 54.000 -0.108 0.000 0.879 73 D CB 1.545 42.265 40.800 -0.133 0.000 1.181 73 D HN 0.074 nan 8.370 nan 0.000 0.448 74 S N 2.454 118.099 115.700 -0.092 0.000 2.428 74 S HA -0.095 4.376 4.470 0.002 0.000 0.230 74 S C 1.858 176.400 174.600 -0.096 0.000 1.014 74 S CA 0.638 58.791 58.200 -0.079 0.000 0.957 74 S CB -0.140 63.032 63.200 -0.046 0.000 0.784 74 S HN 0.364 nan 8.310 nan 0.000 0.499 75 V N 2.175 122.023 119.914 -0.110 0.000 2.283 75 V HA -0.078 4.043 4.120 0.002 0.000 0.243 75 V C 2.628 178.612 176.094 -0.183 0.000 1.039 75 V CA 1.879 64.112 62.300 -0.111 0.000 1.016 75 V CB -0.713 31.056 31.823 -0.090 0.000 0.650 75 V HN 0.444 nan 8.190 nan 0.000 0.449 76 K N 0.113 120.339 120.400 -0.291 0.000 2.103 76 K HA -0.180 4.141 4.320 0.002 0.000 0.207 76 K C 2.176 178.357 176.600 -0.698 0.000 1.048 76 K CA 1.963 57.893 56.287 -0.595 0.000 0.930 76 K CB -0.518 31.531 32.500 -0.752 0.000 0.716 76 K HN 0.486 nan 8.250 nan 0.000 0.444 77 T N 1.462 115.780 114.554 -0.394 0.000 2.720 77 T HA -0.202 4.149 4.350 0.002 0.000 0.268 77 T C 1.838 176.492 174.700 -0.077 0.000 1.037 77 T CA 1.466 63.446 62.100 -0.199 0.000 1.144 77 T CB -0.164 68.644 68.868 -0.100 0.000 0.864 77 T HN 0.335 nan 8.240 nan 0.000 0.444 78 Q N 0.543 120.300 119.800 -0.073 0.000 2.083 78 Q HA -0.052 4.290 4.340 0.002 0.000 0.198 78 Q C 2.672 178.678 176.000 0.010 0.000 0.969 78 Q CA 0.998 56.797 55.803 -0.008 0.000 0.838 78 Q CB -0.145 28.587 28.738 -0.009 0.000 0.900 78 Q HN 0.594 nan 8.270 nan 0.000 0.436 79 Q N -0.184 119.595 119.800 -0.035 0.000 2.030 79 Q HA -0.180 4.161 4.340 0.002 0.000 0.204 79 Q C 1.912 178.011 176.000 0.165 0.000 0.986 79 Q CA 1.259 57.078 55.803 0.026 0.000 0.843 79 Q CB -0.151 28.574 28.738 -0.022 0.000 0.904 79 Q HN 0.320 nan 8.270 nan 0.000 0.420 80 F N 0.465 120.372 119.950 -0.072 0.000 2.134 80 F HA -0.143 4.385 4.527 0.002 0.000 0.299 80 F C 2.465 178.246 175.800 -0.031 0.000 1.097 80 F CA 0.841 58.781 58.000 -0.098 0.000 1.264 80 F CB -1.328 37.624 39.000 -0.080 0.000 1.001 80 F HN 0.074 nan 8.300 nan 0.000 0.479 81 A N -0.508 122.432 122.820 0.201 0.000 1.883 81 A HA -0.232 4.089 4.320 0.002 0.000 0.217 81 A C 2.295 179.965 177.584 0.145 0.000 1.186 81 A CA 1.750 53.878 52.037 0.151 0.000 0.624 81 A CB -0.852 18.215 19.000 0.112 0.000 0.822 81 A HN 0.386 nan 8.150 nan 0.000 0.444 82 Q N -0.382 119.477 119.800 0.098 0.000 2.119 82 Q HA -0.174 4.167 4.340 0.002 0.000 0.201 82 Q C 2.328 178.363 176.000 0.058 0.000 0.972 82 Q CA 1.588 57.427 55.803 0.060 0.000 0.847 82 Q CB -0.211 28.550 28.738 0.040 0.000 0.903 82 Q HN 0.724 nan 8.270 nan 0.000 0.433 83 R N -0.150 120.378 120.500 0.047 0.000 2.083 83 R HA -0.173 4.168 4.340 0.002 0.000 0.237 83 R C 2.205 178.550 176.300 0.075 0.000 1.137 83 R CA 1.788 57.876 56.100 -0.020 0.000 0.951 83 R CB -0.668 29.502 30.300 -0.216 0.000 0.851 83 R HN 0.483 nan 8.270 nan 0.000 0.434 84 W N 1.172 122.455 121.300 -0.027 0.000 2.358 84 W HA -0.201 4.460 4.660 0.002 0.000 0.303 84 W C 1.577 178.124 176.519 0.047 0.000 1.208 84 W CA 1.314 58.718 57.345 0.097 0.000 1.274 84 W CB -0.337 29.184 29.460 0.101 0.000 1.138 84 W HN 0.149 nan 8.180 nan 0.000 0.515 85 I N 1.338 121.981 120.570 0.121 0.000 2.226 85 I HA -0.342 3.829 4.170 0.002 0.000 0.245 85 I C 2.655 178.713 176.117 -0.098 0.000 1.100 85 I CA 2.357 63.639 61.300 -0.030 0.000 1.374 85 I CB -0.577 37.417 38.000 -0.011 0.000 1.057 85 I HN 0.003 nan 8.210 nan 0.000 0.413 86 T N -2.953 111.571 114.554 -0.049 0.000 2.983 86 T HA -0.014 4.337 4.350 0.002 0.000 0.250 86 T C 1.808 176.475 174.700 -0.055 0.000 1.037 86 T CA 0.274 62.345 62.100 -0.048 0.000 1.142 86 T CB -0.072 68.785 68.868 -0.020 0.000 0.876 86 T HN 0.111 nan 8.240 nan 0.000 0.455 87 Q N 1.131 120.913 119.800 -0.029 0.000 2.163 87 Q HA 0.267 4.609 4.340 0.002 0.000 0.198 87 Q C 0.928 176.892 176.000 -0.060 0.000 0.954 87 Q CA 0.377 56.181 55.803 0.002 0.000 0.851 87 Q CB -0.578 28.227 28.738 0.113 0.000 0.928 87 Q HN 0.418 nan 8.270 nan 0.000 0.459 88 V N 3.097 122.914 119.914 -0.162 0.000 2.488 88 V HA 0.112 4.234 4.120 0.002 0.000 0.277 88 V C 0.621 176.521 176.094 -0.324 0.000 1.046 88 V CA -0.438 61.667 62.300 -0.325 0.000 0.986 88 V CB 0.899 32.298 31.823 -0.706 0.000 0.989 88 V HN 0.268 nan 8.190 nan 0.000 0.475 89 S N 6.146 121.699 115.700 -0.246 0.000 2.579 89 S HA 0.230 4.701 4.470 0.002 0.000 0.275 89 S C -1.594 172.873 174.600 -0.221 0.000 1.345 89 S CA -0.891 57.193 58.200 -0.194 0.000 1.031 89 S CB 0.905 64.019 63.200 -0.144 0.000 0.892 89 S HN 0.559 nan 8.310 nan 0.000 0.529 90 P HA -0.055 nan 4.420 nan 0.000 0.219 90 P C 0.827 178.041 177.300 -0.142 0.000 1.146 90 P CA 1.146 64.154 63.100 -0.153 0.000 0.808 90 P CB 0.013 31.651 31.700 -0.103 0.000 0.779 91 E N -0.392 119.731 120.200 -0.129 0.000 2.072 91 E HA -0.041 4.310 4.350 0.002 0.000 0.190 91 E C 2.164 178.684 176.600 -0.133 0.000 0.982 91 E CA 1.323 57.656 56.400 -0.112 0.000 0.803 91 E CB -1.008 28.636 29.700 -0.093 0.000 0.755 91 E HN 0.138 nan 8.360 nan 0.000 0.453 92 A N 1.136 123.854 122.820 -0.170 0.000 1.929 92 A HA -0.149 4.172 4.320 0.002 0.000 0.216 92 A C 1.867 179.319 177.584 -0.219 0.000 1.176 92 A CA 1.165 53.087 52.037 -0.192 0.000 0.628 92 A CB -0.236 18.630 19.000 -0.223 0.000 0.816 92 A HN 0.028 nan 8.150 nan 0.000 0.444 93 K N -0.147 120.074 120.400 -0.298 0.000 2.020 93 K HA -0.214 4.107 4.320 0.002 0.000 0.212 93 K C 2.034 178.527 176.600 -0.178 0.000 1.050 93 K CA 1.610 57.712 56.287 -0.307 0.000 0.929 93 K CB -0.334 31.957 32.500 -0.347 0.000 0.714 93 K HN 0.541 nan 8.250 nan 0.000 0.443 94 N N 0.457 119.059 118.700 -0.162 0.000 2.120 94 N HA -0.176 4.565 4.740 0.002 0.000 0.188 94 N C 1.866 177.320 175.510 -0.093 0.000 1.024 94 N CA 1.081 54.056 53.050 -0.126 0.000 0.852 94 N CB 0.175 38.608 38.487 -0.090 0.000 1.003 94 N HN 0.216 nan 8.380 nan 0.000 0.424 95 Q N 0.869 120.614 119.800 -0.093 0.000 2.084 95 Q HA -0.048 4.293 4.340 0.002 0.000 0.202 95 Q C 2.264 178.229 176.000 -0.058 0.000 0.978 95 Q CA 0.860 56.620 55.803 -0.073 0.000 0.844 95 Q CB -0.276 28.410 28.738 -0.087 0.000 0.898 95 Q HN 0.515 nan 8.270 nan 0.000 0.426 96 I N 0.435 120.971 120.570 -0.056 0.000 2.252 96 I HA -0.271 3.901 4.170 0.002 0.000 0.245 96 I C 2.242 178.357 176.117 -0.004 0.000 1.102 96 I CA 1.089 62.384 61.300 -0.008 0.000 1.385 96 I CB -0.148 37.902 38.000 0.084 0.000 1.064 96 I HN 0.120 nan 8.210 nan 0.000 0.414 97 K N 0.112 120.473 120.400 -0.066 0.000 2.057 97 K HA -0.127 4.194 4.320 0.002 0.000 0.207 97 K C 2.080 178.699 176.600 0.032 0.000 1.049 97 K CA 1.801 58.009 56.287 -0.132 0.000 0.931 97 K CB -0.304 31.923 32.500 -0.456 0.000 0.714 97 K HN 0.278 nan 8.250 nan 0.000 0.440 98 T N 1.429 115.990 114.554 0.012 0.000 2.867 98 T HA -0.053 4.298 4.350 0.002 0.000 0.268 98 T C 1.486 176.212 174.700 0.042 0.000 1.057 98 T CA 1.027 63.153 62.100 0.043 0.000 1.136 98 T CB -0.154 68.723 68.868 0.016 0.000 0.874 98 T HN 0.202 nan 8.240 nan 0.000 0.466 99 N N 1.597 120.310 118.700 0.022 0.000 2.188 99 N HA 0.030 4.772 4.740 0.002 0.000 0.184 99 N C 2.155 177.690 175.510 0.043 0.000 1.018 99 N CA 1.195 54.257 53.050 0.020 0.000 0.858 99 N CB -0.515 37.970 38.487 -0.003 0.000 0.989 99 N HN 0.407 nan 8.380 nan 0.000 0.426 100 A N 1.404 124.264 122.820 0.065 0.000 1.877 100 A HA -0.037 4.284 4.320 0.002 0.000 0.216 100 A C 2.371 180.023 177.584 0.113 0.000 1.186 100 A CA 0.936 53.030 52.037 0.095 0.000 0.620 100 A CB -0.763 18.318 19.000 0.136 0.000 0.822 100 A HN 0.193 nan 8.150 nan 0.000 0.443 101 L N -0.837 120.471 121.223 0.141 0.000 2.141 101 L HA -0.132 4.209 4.340 0.002 0.000 0.209 101 L C 2.728 179.643 176.870 0.076 0.000 1.094 101 L CA 1.566 56.481 54.840 0.125 0.000 0.763 101 L CB -0.721 41.435 42.059 0.161 0.000 0.908 101 L HN 0.328 nan 8.230 nan 0.000 0.437 102 T N -0.180 114.412 114.554 0.063 0.000 2.737 102 T HA -0.142 4.209 4.350 0.002 0.000 0.265 102 T C 2.019 176.740 174.700 0.036 0.000 1.038 102 T CA 1.355 63.480 62.100 0.041 0.000 1.144 102 T CB -0.169 68.717 68.868 0.031 0.000 0.866 102 T HN 0.439 nan 8.240 nan 0.000 0.434 103 A N 1.197 124.041 122.820 0.040 0.000 1.930 103 A HA 0.020 4.341 4.320 0.002 0.000 0.217 103 A C 2.198 179.805 177.584 0.038 0.000 1.175 103 A CA 1.068 53.127 52.037 0.036 0.000 0.627 103 A CB -0.790 18.232 19.000 0.038 0.000 0.815 103 A HN 0.410 nan 8.150 nan 0.000 0.443 104 L N 0.462 121.714 121.223 0.048 0.000 2.129 104 L HA -0.134 4.207 4.340 0.002 0.000 0.212 104 L C 2.043 178.928 176.870 0.026 0.000 1.087 104 L CA 2.370 57.235 54.840 0.042 0.000 0.757 104 L CB -0.227 41.861 42.059 0.049 0.000 0.896 104 L HN 0.416 nan 8.230 nan 0.000 0.434 105 V N -3.366 116.564 119.914 0.025 0.000 3.444 105 V HA 0.247 4.368 4.120 0.002 0.000 0.308 105 V C 1.047 177.150 176.094 0.015 0.000 1.371 105 V CA 0.110 62.419 62.300 0.016 0.000 1.141 105 V CB -0.944 30.888 31.823 0.016 0.000 1.037 105 V HN 0.352 nan 8.190 nan 0.000 0.433 106 S N 0.459 116.170 115.700 0.018 0.000 2.552 106 S HA 0.175 4.646 4.470 0.002 0.000 0.289 106 S C 1.008 175.615 174.600 0.011 0.000 1.304 106 S CA 0.078 58.287 58.200 0.015 0.000 1.063 106 S CB 0.474 63.685 63.200 0.017 0.000 0.848 106 S HN 0.599 nan 8.310 nan 0.000 0.499 107 I N 2.577 123.153 120.570 0.009 0.000 2.756 107 I HA 0.007 4.178 4.170 0.002 0.000 0.262 107 I C 0.760 176.882 176.117 0.007 0.000 1.225 107 I CA 0.735 62.039 61.300 0.007 0.000 1.472 107 I CB 0.063 38.066 38.000 0.005 0.000 1.094 107 I HN 0.658 nan 8.210 nan 0.000 0.454 108 E N 1.863 122.069 120.200 0.010 0.000 2.105 108 E HA 0.138 4.489 4.350 0.002 0.000 0.285 108 E C -1.633 174.975 176.600 0.014 0.000 1.055 108 E CA -2.581 53.826 56.400 0.011 0.000 0.843 108 E CB 0.786 30.493 29.700 0.011 0.000 1.067 108 E HN 0.125 nan 8.360 nan 0.000 0.398 109 P HA -0.155 nan 4.420 nan 0.000 0.217 109 P C 0.584 177.899 177.300 0.024 0.000 1.150 109 P CA 1.070 64.180 63.100 0.016 0.000 0.832 109 P CB 0.289 31.996 31.700 0.012 0.000 0.787 110 R N -0.571 119.944 120.500 0.024 0.000 2.148 110 R HA 0.038 4.379 4.340 0.002 0.000 0.227 110 R C 2.448 178.768 176.300 0.032 0.000 1.103 110 R CA 0.870 56.988 56.100 0.029 0.000 0.983 110 R CB -0.746 29.568 30.300 0.024 0.000 0.874 110 R HN 0.296 nan 8.270 nan 0.000 0.451 111 I N 0.689 121.276 120.570 0.028 0.000 2.333 111 I HA -0.164 4.007 4.170 0.002 0.000 0.246 111 I C 2.592 178.732 176.117 0.037 0.000 1.106 111 I CA 0.941 62.259 61.300 0.029 0.000 1.411 111 I CB -0.302 37.712 38.000 0.023 0.000 1.082 111 I HN 0.102 nan 8.210 nan 0.000 0.420 112 A N 0.958 123.799 122.820 0.035 0.000 1.902 112 A HA -0.239 4.082 4.320 0.002 0.000 0.217 112 A C 2.005 179.623 177.584 0.057 0.000 1.181 112 A CA 2.165 54.225 52.037 0.039 0.000 0.623 112 A CB -1.063 17.952 19.000 0.025 0.000 0.818 112 A HN 0.496 nan 8.150 nan 0.000 0.443 113 N N 0.096 118.834 118.700 0.064 0.000 2.084 113 N HA -0.099 4.642 4.740 0.002 0.000 0.190 113 N C 1.973 177.557 175.510 0.123 0.000 1.030 113 N CA 1.122 54.236 53.050 0.106 0.000 0.849 113 N CB -0.261 38.284 38.487 0.096 0.000 1.012 113 N HN 0.501 nan 8.380 nan 0.000 0.423 114 A N 1.151 124.018 122.820 0.078 0.000 1.898 114 A HA 0.021 4.342 4.320 0.002 0.000 0.216 114 A C 2.321 179.946 177.584 0.067 0.000 1.181 114 A CA 1.587 53.661 52.037 0.061 0.000 0.620 114 A CB -0.814 18.212 19.000 0.043 0.000 0.819 114 A HN 0.346 nan 8.150 nan 0.000 0.442 115 A N -0.069 122.793 122.820 0.070 0.000 1.933 115 A HA 0.151 4.473 4.320 0.002 0.000 0.218 115 A C 2.475 180.119 177.584 0.099 0.000 1.175 115 A CA 2.007 54.090 52.037 0.076 0.000 0.628 115 A CB -0.962 18.078 19.000 0.068 0.000 0.814 115 A HN 1.058 nan 8.150 nan 0.000 0.444 116 A N -0.590 122.302 122.820 0.120 0.000 1.908 116 A HA -0.246 4.075 4.320 0.002 0.000 0.218 116 A C 2.131 179.845 177.584 0.217 0.000 1.181 116 A CA 1.771 53.912 52.037 0.173 0.000 0.627 116 A CB -0.553 18.577 19.000 0.216 0.000 0.818 116 A HN 0.676 nan 8.150 nan 0.000 0.445 117 Q N -1.270 118.619 119.800 0.149 0.000 2.079 117 Q HA -0.102 4.239 4.340 0.002 0.000 0.200 117 Q C 2.114 178.126 176.000 0.020 0.000 0.974 117 Q CA 1.282 57.093 55.803 0.013 0.000 0.840 117 Q CB -0.324 28.372 28.738 -0.071 0.000 0.898 117 Q HN 0.573 nan 8.270 nan 0.000 0.430 118 L N 0.983 122.232 121.223 0.043 0.000 2.017 118 L HA -0.153 4.188 4.340 0.002 0.000 0.208 118 L C 1.945 178.853 176.870 0.063 0.000 1.073 118 L CA 1.627 56.488 54.840 0.035 0.000 0.745 118 L CB -0.474 41.610 42.059 0.042 0.000 0.894 118 L HN 0.197 nan 8.230 nan 0.000 0.432 119 I N -0.301 120.344 120.570 0.124 0.000 2.226 119 I HA -0.303 3.868 4.170 0.002 0.000 0.245 119 I C 2.602 178.803 176.117 0.140 0.000 1.100 119 I CA 1.198 62.626 61.300 0.213 0.000 1.374 119 I CB -0.673 37.431 38.000 0.174 0.000 1.057 119 I HN 0.378 nan 8.210 nan 0.000 0.413 120 A N 0.816 123.683 122.820 0.078 0.000 1.883 120 A HA -0.205 4.116 4.320 0.002 0.000 0.217 120 A C 2.570 180.164 177.584 0.017 0.000 1.186 120 A CA 1.979 54.040 52.037 0.040 0.000 0.624 120 A CB -0.924 18.114 19.000 0.062 0.000 0.822 120 A HN 0.435 nan 8.150 nan 0.000 0.444 121 A N 0.025 122.844 122.820 -0.001 0.000 1.883 121 A HA -0.150 4.172 4.320 0.002 0.000 0.217 121 A C 2.130 179.664 177.584 -0.083 0.000 1.186 121 A CA 1.710 53.724 52.037 -0.038 0.000 0.624 121 A CB -0.685 18.286 19.000 -0.049 0.000 0.822 121 A HN 0.525 nan 8.150 nan 0.000 0.444 122 I N -0.389 120.125 120.570 -0.093 0.000 2.315 122 I HA -0.249 3.922 4.170 0.002 0.000 0.248 122 I C 2.898 179.060 176.117 0.075 0.000 1.117 122 I CA 0.972 62.151 61.300 -0.202 0.000 1.404 122 I CB -0.331 37.562 38.000 -0.178 0.000 1.071 122 I HN 0.362 nan 8.210 nan 0.000 0.419 123 A N 0.525 123.464 122.820 0.198 0.000 1.969 123 A HA -0.206 4.115 4.320 0.002 0.000 0.218 123 A C 1.895 179.534 177.584 0.092 0.000 1.169 123 A CA 1.738 53.876 52.037 0.169 0.000 0.635 123 A CB -0.490 18.518 19.000 0.012 0.000 0.810 123 A HN 0.325 nan 8.150 nan 0.000 0.445 124 D N 0.265 120.690 120.400 0.043 0.000 2.123 124 D HA -0.156 4.485 4.640 0.002 0.000 0.196 124 D C 1.796 178.142 176.300 0.076 0.000 0.992 124 D CA 1.382 55.404 54.000 0.036 0.000 0.833 124 D CB -0.303 40.504 40.800 0.012 0.000 0.954 124 D HN 0.561 nan 8.370 nan 0.000 0.455 125 I N 0.580 121.185 120.570 0.058 0.000 2.333 125 I HA -0.136 4.035 4.170 0.002 0.000 0.246 125 I C 2.257 178.493 176.117 0.198 0.000 1.106 125 I CA 0.921 62.278 61.300 0.094 0.000 1.411 125 I CB -0.041 37.944 38.000 -0.024 0.000 1.082 125 I HN -0.073 nan 8.210 nan 0.000 0.420 126 E N 0.528 120.856 120.200 0.214 0.000 2.140 126 E HA -0.006 4.346 4.350 0.002 0.000 0.191 126 E C 2.360 179.134 176.600 0.290 0.000 0.973 126 E CA 0.582 57.156 56.400 0.290 0.000 0.829 126 E CB 0.172 30.089 29.700 0.362 0.000 0.781 126 E HN 0.421 nan 8.360 nan 0.000 0.466 127 L N 1.041 122.400 121.223 0.227 0.000 2.131 127 L HA -0.101 4.240 4.340 0.002 0.000 0.210 127 L C -0.679 176.267 176.870 0.127 0.000 1.092 127 L CA 0.983 55.917 54.840 0.157 0.000 0.759 127 L CB -1.476 40.633 42.059 0.084 0.000 0.903 127 L HN 0.079 nan 8.230 nan 0.000 0.435 128 P HA -0.145 nan 4.420 nan 0.000 0.220 128 P C 0.551 177.788 177.300 -0.105 0.000 1.148 128 P CA 1.490 64.593 63.100 0.006 0.000 0.803 128 P CB -0.076 31.613 31.700 -0.018 0.000 0.782 129 H N -1.787 117.333 119.070 0.084 0.000 2.524 129 H HA 0.447 5.004 4.556 0.002 0.000 0.299 129 H C 1.391 176.770 175.328 0.084 0.000 1.074 129 H CA 0.188 56.284 56.048 0.081 0.000 1.115 129 H CB -0.809 29.007 29.762 0.090 0.000 1.522 129 H HN 0.019 nan 8.280 nan 0.000 0.543 130 G N 0.258 109.151 108.800 0.156 0.000 2.212 130 G HA2 -0.302 3.659 3.960 0.002 0.000 0.267 130 G HA3 -0.302 3.659 3.960 0.002 0.000 0.267 130 G C 0.594 175.589 174.900 0.158 0.000 1.002 130 G CA 0.433 45.610 45.100 0.129 0.000 0.729 130 G HN 0.740 nan 8.290 nan 0.000 0.517 131 A N -1.677 121.268 122.820 0.207 0.000 2.240 131 A HA 0.613 4.935 4.320 0.002 0.000 0.292 131 A C 0.986 178.764 177.584 0.323 0.000 1.121 131 A CA 0.410 52.583 52.037 0.226 0.000 0.851 131 A CB 0.134 19.266 19.000 0.221 0.000 1.167 131 A HN 1.576 nan 8.150 nan 0.000 0.503 132 W N -0.292 121.068 121.300 0.100 0.000 6.840 132 W HA -0.118 4.543 4.660 0.002 0.000 0.413 132 W C -1.803 174.752 176.519 0.061 0.000 1.605 132 W CA 0.515 57.911 57.345 0.084 0.000 1.122 132 W CB -1.321 28.194 29.460 0.091 0.000 2.811 132 W HN 0.575 nan 8.180 nan 0.000 1.578 133 P HA -0.120 nan 4.420 nan 0.000 0.231 133 P C 1.172 178.531 177.300 0.099 0.000 1.168 133 P CA 1.699 64.883 63.100 0.141 0.000 0.779 133 P CB 0.323 32.093 31.700 0.117 0.000 0.844 134 E N 0.054 120.361 120.200 0.179 0.000 2.106 134 E HA -0.128 4.223 4.350 0.002 0.000 0.192 134 E C 1.942 178.530 176.600 -0.020 0.000 0.984 134 E CA 0.495 56.969 56.400 0.124 0.000 0.806 134 E CB -1.091 28.747 29.700 0.230 0.000 0.750 134 E HN 0.091 nan 8.360 nan 0.000 0.458 135 L N 0.398 121.479 121.223 -0.236 0.000 1.978 135 L HA -0.268 4.073 4.340 0.002 0.000 0.218 135 L C 1.967 178.653 176.870 -0.306 0.000 1.075 135 L CA 1.939 56.439 54.840 -0.566 0.000 0.767 135 L CB -0.498 40.842 42.059 -1.198 0.000 0.890 135 L HN 0.175 nan 8.230 nan 0.000 0.434 136 M N -0.572 118.896 119.600 -0.219 0.000 2.082 136 M HA -0.260 4.221 4.480 0.002 0.000 0.258 136 M C 2.268 178.510 176.300 -0.098 0.000 1.069 136 M CA 1.691 56.906 55.300 -0.142 0.000 1.102 136 M CB -1.543 31.002 32.600 -0.092 0.000 1.336 136 M HN 0.321 nan 8.290 nan 0.000 0.404 137 K N 0.661 121.020 120.400 -0.068 0.000 2.044 137 K HA -0.168 4.153 4.320 0.002 0.000 0.210 137 K C 1.867 178.441 176.600 -0.043 0.000 1.049 137 K CA 1.335 57.597 56.287 -0.040 0.000 0.927 137 K CB -0.252 32.238 32.500 -0.016 0.000 0.713 137 K HN 0.252 nan 8.250 nan 0.000 0.443 138 I N 1.312 121.851 120.570 -0.053 0.000 2.127 138 I HA -0.323 3.848 4.170 0.002 0.000 0.241 138 I C 2.552 178.634 176.117 -0.058 0.000 1.075 138 I CA 1.275 62.551 61.300 -0.041 0.000 1.334 138 I CB -1.056 36.923 38.000 -0.036 0.000 1.040 138 I HN 0.218 nan 8.210 nan 0.000 0.405 139 M N 0.314 119.856 119.600 -0.097 0.000 2.086 139 M HA -0.128 4.353 4.480 0.002 0.000 0.261 139 M C 2.570 178.829 176.300 -0.069 0.000 1.067 139 M CA 1.379 56.622 55.300 -0.095 0.000 1.116 139 M CB -1.270 31.250 32.600 -0.134 0.000 1.348 139 M HN 0.074 nan 8.290 nan 0.000 0.407 140 V N 0.774 120.650 119.914 -0.064 0.000 2.295 140 V HA -0.267 3.854 4.120 0.002 0.000 0.246 140 V C 1.886 177.959 176.094 -0.036 0.000 1.049 140 V CA 1.999 64.271 62.300 -0.047 0.000 1.024 140 V CB -0.842 30.955 31.823 -0.042 0.000 0.648 140 V HN 0.327 nan 8.190 nan 0.000 0.447 141 D N 0.271 120.652 120.400 -0.032 0.000 2.144 141 D HA -0.127 4.514 4.640 0.002 0.000 0.199 141 D C 1.961 178.249 176.300 -0.020 0.000 0.984 141 D CA 1.016 55.003 54.000 -0.021 0.000 0.834 141 D CB -0.448 40.343 40.800 -0.015 0.000 0.955 141 D HN 0.364 nan 8.370 nan 0.000 0.465 142 N N -0.514 118.171 118.700 -0.025 0.000 2.453 142 N HA -0.062 4.679 4.740 0.002 0.000 0.183 142 N C 1.245 176.739 175.510 -0.026 0.000 1.041 142 N CA 0.690 53.726 53.050 -0.022 0.000 0.900 142 N CB -0.230 38.242 38.487 -0.025 0.000 0.961 142 N HN 0.138 nan 8.380 nan 0.000 0.443 143 T N -0.543 113.993 114.554 -0.030 0.000 3.088 143 T HA 0.100 4.451 4.350 0.002 0.000 0.259 143 T C 1.084 175.770 174.700 -0.022 0.000 1.122 143 T CA 0.101 62.184 62.100 -0.029 0.000 1.095 143 T CB -0.288 68.560 68.868 -0.034 0.000 0.930 143 T HN 0.235 nan 8.240 nan 0.000 0.508 144 G N 0.559 109.348 108.800 -0.019 0.000 2.474 144 G HA2 0.315 4.277 3.960 0.002 0.000 0.233 144 G HA3 0.315 4.277 3.960 0.002 0.000 0.233 144 G C 1.230 176.122 174.900 -0.013 0.000 1.278 144 G CA 0.037 45.128 45.100 -0.015 0.000 0.861 144 G HN 0.297 nan 8.290 nan 0.000 0.567 145 A N 1.396 124.209 122.820 -0.011 0.000 1.883 145 A HA -0.093 4.228 4.320 0.002 0.000 0.217 145 A C 2.206 179.784 177.584 -0.010 0.000 1.186 145 A CA 1.973 54.004 52.037 -0.011 0.000 0.624 145 A CB -0.283 18.712 19.000 -0.009 0.000 0.822 145 A HN 0.762 nan 8.150 nan 0.000 0.444 146 E N 0.693 120.888 120.200 -0.008 0.000 2.472 146 E HA -0.109 4.242 4.350 0.002 0.000 0.200 146 E C 0.056 176.651 176.600 -0.007 0.000 1.046 146 E CA 0.275 56.670 56.400 -0.007 0.000 0.871 146 E CB -0.413 29.283 29.700 -0.006 0.000 0.806 146 E HN 0.562 nan 8.360 nan 0.000 0.533 147 Q N 2.189 121.984 119.800 -0.008 0.000 2.394 147 Q HA 0.260 4.601 4.340 0.002 0.000 0.248 147 Q C -1.992 174.003 176.000 -0.009 0.000 0.992 147 Q CA -1.796 54.002 55.803 -0.008 0.000 0.888 147 Q CB 0.319 29.051 28.738 -0.011 0.000 1.257 147 Q HN 0.182 nan 8.270 nan 0.000 0.462 148 P HA 0.012 nan 4.420 nan 0.000 0.274 148 P C 0.403 177.698 177.300 -0.009 0.000 1.237 148 P CA -0.057 63.039 63.100 -0.007 0.000 0.793 148 P CB 0.763 32.461 31.700 -0.004 0.000 0.977 149 E N 2.165 122.359 120.200 -0.010 0.000 2.086 149 E HA -0.312 4.040 4.350 0.002 0.000 0.200 149 E C 1.504 178.095 176.600 -0.014 0.000 1.012 149 E CA 1.949 58.342 56.400 -0.012 0.000 0.812 149 E CB -0.189 29.505 29.700 -0.010 0.000 0.743 149 E HN 0.484 nan 8.360 nan 0.000 0.453 150 N N 0.194 118.888 118.700 -0.010 0.000 2.216 150 N HA -0.132 4.609 4.740 0.002 0.000 0.183 150 N C 1.989 177.492 175.510 -0.012 0.000 1.017 150 N CA 1.508 54.552 53.050 -0.010 0.000 0.861 150 N CB -0.473 38.012 38.487 -0.004 0.000 0.986 150 N HN 0.131 nan 8.380 nan 0.000 0.428 151 V N 1.560 121.468 119.914 -0.010 0.000 2.427 151 V HA -0.153 3.968 4.120 0.002 0.000 0.248 151 V C 2.527 178.609 176.094 -0.020 0.000 1.051 151 V CA 1.537 63.830 62.300 -0.011 0.000 1.048 151 V CB -0.486 31.333 31.823 -0.007 0.000 0.666 151 V HN 0.324 nan 8.190 nan 0.000 0.456 152 K N -0.245 120.142 120.400 -0.023 0.000 2.057 152 K HA -0.146 4.175 4.320 0.002 0.000 0.206 152 K C 2.394 178.970 176.600 -0.040 0.000 1.050 152 K CA 1.191 57.460 56.287 -0.030 0.000 0.935 152 K CB -0.202 32.282 32.500 -0.027 0.000 0.715 152 K HN 0.308 nan 8.250 nan 0.000 0.439 153 R N 0.967 121.444 120.500 -0.038 0.000 2.070 153 R HA -0.107 4.234 4.340 0.002 0.000 0.232 153 R C 2.249 178.511 176.300 -0.063 0.000 1.138 153 R CA 1.570 57.641 56.100 -0.048 0.000 0.936 153 R CB -0.277 30.001 30.300 -0.036 0.000 0.839 153 R HN 0.171 nan 8.270 nan 0.000 0.429 154 A N -0.047 122.744 122.820 -0.048 0.000 2.015 154 A HA -0.080 4.241 4.320 0.002 0.000 0.219 154 A C 2.149 179.693 177.584 -0.065 0.000 1.163 154 A CA 1.653 53.660 52.037 -0.050 0.000 0.646 154 A CB -0.271 18.718 19.000 -0.018 0.000 0.806 154 A HN 0.432 nan 8.150 nan 0.000 0.448 155 S N -0.084 115.581 115.700 -0.059 0.000 2.371 155 S HA -0.038 4.433 4.470 0.002 0.000 0.224 155 S C 1.812 176.356 174.600 -0.093 0.000 1.029 155 S CA 1.242 59.402 58.200 -0.067 0.000 0.978 155 S CB -0.414 62.754 63.200 -0.054 0.000 0.833 155 S HN 0.525 nan 8.310 nan 0.000 0.466 156 L N 1.317 122.484 121.223 -0.094 0.000 2.042 156 L HA -0.099 4.243 4.340 0.002 0.000 0.210 156 L C 2.450 179.219 176.870 -0.168 0.000 1.076 156 L CA 0.995 55.770 54.840 -0.109 0.000 0.749 156 L CB -0.519 41.484 42.059 -0.092 0.000 0.893 156 L HN 0.308 nan 8.230 nan 0.000 0.432 157 L N -0.167 120.931 121.223 -0.208 0.000 1.989 157 L HA -0.274 4.068 4.340 0.002 0.000 0.211 157 L C 2.812 179.394 176.870 -0.479 0.000 1.071 157 L CA 1.896 56.505 54.840 -0.386 0.000 0.749 157 L CB -0.508 41.347 42.059 -0.339 0.000 0.890 157 L HN 0.305 nan 8.230 nan 0.000 0.431 158 A N -0.025 122.647 122.820 -0.245 0.000 1.892 158 A HA -0.265 4.056 4.320 0.002 0.000 0.218 158 A C 2.198 179.720 177.584 -0.104 0.000 1.188 158 A CA 1.912 53.885 52.037 -0.107 0.000 0.631 158 A CB -0.889 18.079 19.000 -0.053 0.000 0.822 158 A HN 0.515 nan 8.150 nan 0.000 0.447 159 L N -0.926 120.220 121.223 -0.128 0.000 2.042 159 L HA -0.179 4.162 4.340 0.002 0.000 0.210 159 L C 2.836 179.644 176.870 -0.104 0.000 1.076 159 L CA 1.191 55.965 54.840 -0.110 0.000 0.749 159 L CB -0.831 41.169 42.059 -0.099 0.000 0.893 159 L HN 0.543 nan 8.230 nan 0.000 0.432 160 G N -1.116 107.600 108.800 -0.139 0.000 2.453 160 G HA2 -0.291 3.670 3.960 0.002 0.000 0.215 160 G HA3 -0.291 3.670 3.960 0.002 0.000 0.215 160 G C 1.278 176.161 174.900 -0.028 0.000 1.201 160 G CA 0.510 45.546 45.100 -0.107 0.000 0.784 160 G HN 0.186 nan 8.290 nan 0.000 0.545 161 Y N 0.183 120.437 120.300 -0.076 0.000 2.114 161 Y HA -0.097 4.454 4.550 0.002 0.000 0.282 161 Y C 2.969 178.790 175.900 -0.131 0.000 1.165 161 Y CA 0.954 59.003 58.100 -0.084 0.000 1.148 161 Y CB -0.918 37.509 38.460 -0.055 0.000 0.972 161 Y HN 0.132 nan 8.280 nan 0.000 0.504 162 M N -1.285 118.332 119.600 0.029 0.000 2.065 162 M HA -0.280 4.202 4.480 0.002 0.000 0.259 162 M C 2.273 178.470 176.300 -0.172 0.000 1.069 162 M CA 1.914 57.174 55.300 -0.067 0.000 1.110 162 M CB -0.426 32.122 32.600 -0.086 0.000 1.328 162 M HN 0.326 nan 8.290 nan 0.000 0.405 163 C N -0.268 118.904 119.300 -0.214 0.000 2.440 163 C HA -0.120 4.342 4.460 0.002 0.000 0.278 163 C C 2.567 176.972 174.990 -0.975 0.000 1.295 163 C CA 0.844 59.630 59.018 -0.387 0.000 1.738 163 C CB -1.127 26.488 27.740 -0.208 0.000 1.987 163 C HN 0.583 nan 8.230 nan 0.000 0.492 164 E N 1.265 121.047 120.200 -0.697 0.000 2.072 164 E HA -0.166 4.185 4.350 0.002 0.000 0.191 164 E C 2.082 178.324 176.600 -0.597 0.000 0.985 164 E CA 1.717 57.653 56.400 -0.772 0.000 0.801 164 E CB -0.010 29.614 29.700 -0.127 0.000 0.750 164 E HN 0.751 nan 8.360 nan 0.000 0.452 165 S N -0.244 115.258 115.700 -0.330 0.000 2.548 165 S HA 0.322 4.793 4.470 0.002 0.000 0.215 165 S C 0.773 175.290 174.600 -0.139 0.000 0.976 165 S CA 0.088 58.195 58.200 -0.155 0.000 0.908 165 S CB 0.324 63.474 63.200 -0.084 0.000 0.781 165 S HN 0.339 nan 8.310 nan 0.000 0.519 166 A N 1.810 124.480 122.820 -0.250 0.000 2.547 166 A HA 0.347 4.668 4.320 0.002 0.000 0.233 166 A C 0.417 178.002 177.584 0.002 0.000 1.067 166 A CA 0.105 52.068 52.037 -0.124 0.000 0.763 166 A CB 0.021 18.923 19.000 -0.164 0.000 1.007 166 A HN 0.408 nan 8.150 nan 0.000 0.506 167 D N 0.820 121.239 120.400 0.033 0.000 2.384 167 D HA 0.290 4.931 4.640 0.002 0.000 0.257 167 D C -0.922 175.420 176.300 0.070 0.000 1.226 167 D CA 0.121 54.156 54.000 0.059 0.000 1.129 167 D CB -0.992 39.834 40.800 0.043 0.000 1.197 167 D HN 0.347 nan 8.370 nan 0.000 0.571 168 P HA -0.089 nan 4.420 nan 0.000 0.211 168 P C -0.012 177.320 177.300 0.054 0.000 1.179 168 P CA 1.568 64.694 63.100 0.043 0.000 0.910 168 P CB 0.515 32.225 31.700 0.017 0.000 0.785 169 Q N -1.487 118.337 119.800 0.041 0.000 3.400 169 Q HA 0.096 4.437 4.340 0.002 0.000 0.232 169 Q C -0.715 175.303 176.000 0.030 0.000 0.696 169 Q CA -0.142 55.690 55.803 0.050 0.000 0.961 169 Q CB 0.223 29.000 28.738 0.066 0.000 1.545 169 Q HN 0.081 nan 8.270 nan 0.000 0.371 170 S N 1.329 117.041 115.700 0.019 0.000 3.523 170 S HA -0.281 4.190 4.470 0.002 0.000 0.218 170 S C 1.394 176.005 174.600 0.017 0.000 0.645 170 S CA 1.163 59.372 58.200 0.016 0.000 1.390 170 S CB -0.317 62.897 63.200 0.023 0.000 1.199 170 S HN 0.652 nan 8.310 nan 0.000 0.375 171 Q N 1.468 121.276 119.800 0.014 0.000 2.263 171 Q HA -0.432 3.909 4.340 0.002 0.000 0.221 171 Q C 2.202 178.211 176.000 0.015 0.000 1.071 171 Q CA 2.684 58.496 55.803 0.016 0.000 0.966 171 Q CB -0.935 27.813 28.738 0.017 0.000 1.094 171 Q HN 1.016 nan 8.270 nan 0.000 0.454 172 A N 0.234 123.065 122.820 0.017 0.000 1.832 172 A HA -0.127 4.194 4.320 0.002 0.000 0.214 172 A C 1.981 179.564 177.584 -0.002 0.000 1.204 172 A CA 1.174 53.216 52.037 0.009 0.000 0.606 172 A CB -0.843 18.164 19.000 0.011 0.000 0.849 172 A HN 0.404 nan 8.150 nan 0.000 0.445 173 L N -0.466 120.754 121.223 -0.005 0.000 2.034 173 L HA -0.238 4.103 4.340 0.002 0.000 0.217 173 L C 2.593 179.465 176.870 0.003 0.000 1.077 173 L CA 2.065 56.898 54.840 -0.012 0.000 0.769 173 L CB -0.275 41.778 42.059 -0.010 0.000 0.890 173 L HN 0.349 nan 8.230 nan 0.000 0.435 174 V N -0.768 119.155 119.914 0.015 0.000 2.323 174 V HA -0.227 3.894 4.120 0.002 0.000 0.244 174 V C 2.549 178.651 176.094 0.014 0.000 1.041 174 V CA 2.070 64.384 62.300 0.024 0.000 1.025 174 V CB 0.130 31.970 31.823 0.028 0.000 0.656 174 V HN 0.742 nan 8.190 nan 0.000 0.451 175 S N -1.801 113.904 115.700 0.009 0.000 2.561 175 S HA -0.033 4.439 4.470 0.002 0.000 0.225 175 S C 1.819 176.417 174.600 -0.002 0.000 0.977 175 S CA 1.193 59.396 58.200 0.004 0.000 0.926 175 S CB 0.040 63.243 63.200 0.005 0.000 0.769 175 S HN 0.470 nan 8.310 nan 0.000 0.533 176 S N 1.233 116.930 115.700 -0.006 0.000 2.540 176 S HA 0.155 4.626 4.470 0.002 0.000 0.218 176 S C 1.831 176.422 174.600 -0.013 0.000 0.977 176 S CA 0.414 58.605 58.200 -0.015 0.000 0.918 176 S CB -0.410 62.775 63.200 -0.026 0.000 0.806 176 S HN 0.777 nan 8.310 nan 0.000 0.496 177 S N 2.343 118.041 115.700 -0.003 0.000 2.356 177 S HA -0.152 4.320 4.470 0.002 0.000 0.223 177 S C 1.612 176.211 174.600 -0.001 0.000 1.032 177 S CA 1.537 59.740 58.200 0.004 0.000 1.005 177 S CB -0.821 62.392 63.200 0.021 0.000 0.867 177 S HN 0.553 nan 8.310 nan 0.000 0.449 178 N N 3.280 121.977 118.700 -0.006 0.000 2.036 178 N HA -0.082 4.659 4.740 0.002 0.000 0.195 178 N C 1.533 177.034 175.510 -0.015 0.000 1.037 178 N CA 1.744 54.786 53.050 -0.013 0.000 0.855 178 N CB -0.775 37.700 38.487 -0.019 0.000 1.033 178 N HN 0.440 nan 8.380 nan 0.000 0.423 179 N N 0.485 119.175 118.700 -0.018 0.000 2.094 179 N HA -0.110 4.631 4.740 0.002 0.000 0.191 179 N C 1.454 176.952 175.510 -0.019 0.000 1.023 179 N CA 0.805 53.843 53.050 -0.020 0.000 0.857 179 N CB -0.335 38.137 38.487 -0.024 0.000 1.013 179 N HN 0.224 nan 8.380 nan 0.000 0.426 180 I N 0.870 121.428 120.570 -0.020 0.000 2.113 180 I HA -0.177 3.994 4.170 0.002 0.000 0.238 180 I C 2.316 178.426 176.117 -0.012 0.000 1.070 180 I CA 0.824 62.110 61.300 -0.023 0.000 1.332 180 I CB -1.406 36.581 38.000 -0.022 0.000 1.044 180 I HN 0.191 nan 8.210 nan 0.000 0.402 181 L N 0.886 122.108 121.223 -0.001 0.000 2.042 181 L HA -0.218 4.123 4.340 0.002 0.000 0.210 181 L C 2.568 179.451 176.870 0.023 0.000 1.076 181 L CA 2.009 56.854 54.840 0.008 0.000 0.749 181 L CB -0.474 41.591 42.059 0.010 0.000 0.893 181 L HN 0.102 nan 8.230 nan 0.000 0.432 182 I N 0.651 121.235 120.570 0.023 0.000 2.113 182 I HA -0.229 3.942 4.170 0.002 0.000 0.238 182 I C 2.999 179.138 176.117 0.036 0.000 1.070 182 I CA 1.502 62.829 61.300 0.046 0.000 1.332 182 I CB -1.979 36.026 38.000 0.008 0.000 1.044 182 I HN 0.214 nan 8.210 nan 0.000 0.402 183 A N 1.399 124.222 122.820 0.005 0.000 1.927 183 A HA -0.225 4.097 4.320 0.002 0.000 0.220 183 A C 2.333 179.908 177.584 -0.015 0.000 1.185 183 A CA 1.890 53.922 52.037 -0.008 0.000 0.639 183 A CB -0.787 18.199 19.000 -0.023 0.000 0.820 183 A HN 0.385 nan 8.150 nan 0.000 0.451 184 I N -0.565 119.994 120.570 -0.018 0.000 2.133 184 I HA -0.179 3.992 4.170 0.002 0.000 0.238 184 I C 2.485 178.581 176.117 -0.035 0.000 1.074 184 I CA 1.407 62.688 61.300 -0.032 0.000 1.342 184 I CB -1.237 36.745 38.000 -0.030 0.000 1.053 184 I HN 0.167 nan 8.210 nan 0.000 0.404 185 V N 0.665 120.568 119.914 -0.019 0.000 2.343 185 V HA -0.270 3.851 4.120 0.002 0.000 0.247 185 V C 2.587 178.654 176.094 -0.046 0.000 1.051 185 V CA 1.587 63.855 62.300 -0.052 0.000 1.036 185 V CB -0.752 31.060 31.823 -0.017 0.000 0.654 185 V HN 0.460 nan 8.190 nan 0.000 0.451 186 Q N 0.023 119.838 119.800 0.025 0.000 2.077 186 Q HA -0.205 4.136 4.340 0.002 0.000 0.206 186 Q C 2.308 178.298 176.000 -0.016 0.000 0.989 186 Q CA 1.910 57.730 55.803 0.029 0.000 0.853 186 Q CB -0.572 28.190 28.738 0.039 0.000 0.907 186 Q HN 0.718 nan 8.270 nan 0.000 0.418 187 G N -0.286 108.498 108.800 -0.027 0.000 2.559 187 G HA2 -0.077 3.884 3.960 0.002 0.000 0.216 187 G HA3 -0.077 3.884 3.960 0.002 0.000 0.216 187 G C 1.166 176.035 174.900 -0.053 0.000 1.126 187 G CA 0.766 45.843 45.100 -0.038 0.000 0.778 187 G HN 0.395 nan 8.290 nan 0.000 0.543 188 A N -0.660 122.117 122.820 -0.071 0.000 2.220 188 A HA 0.275 4.596 4.320 0.002 0.000 0.211 188 A C 1.382 178.905 177.584 -0.102 0.000 1.176 188 A CA -0.073 51.909 52.037 -0.090 0.000 0.834 188 A CB 0.006 18.939 19.000 -0.112 0.000 0.868 188 A HN 0.289 nan 8.150 nan 0.000 0.488 189 Q N 0.763 120.506 119.800 -0.097 0.000 2.352 189 Q HA -0.050 4.291 4.340 0.002 0.000 0.326 189 Q C 1.506 177.462 176.000 -0.073 0.000 1.135 189 Q CA 0.798 56.545 55.803 -0.093 0.000 1.000 189 Q CB 0.387 29.092 28.738 -0.056 0.000 1.237 189 Q HN 0.608 nan 8.270 nan 0.000 0.409 190 S N 0.192 115.848 115.700 -0.073 0.000 2.442 190 S HA -0.142 4.329 4.470 0.002 0.000 0.236 190 S C 1.505 176.082 174.600 -0.039 0.000 1.007 190 S CA 1.457 59.623 58.200 -0.057 0.000 0.965 190 S CB -0.399 62.767 63.200 -0.056 0.000 0.773 190 S HN 0.741 nan 8.310 nan 0.000 0.504 191 T N -1.133 113.401 114.554 -0.033 0.000 3.113 191 T HA 0.097 4.448 4.350 0.002 0.000 0.263 191 T C 0.555 175.242 174.700 -0.022 0.000 1.143 191 T CA 0.212 62.299 62.100 -0.023 0.000 1.090 191 T CB -0.400 68.460 68.868 -0.015 0.000 0.922 191 T HN 0.204 nan 8.240 nan 0.000 0.521 192 E N 2.106 122.289 120.200 -0.028 0.000 2.299 192 E HA 0.134 4.485 4.350 0.002 0.000 0.272 192 E C 0.949 177.535 176.600 -0.022 0.000 1.043 192 E CA -0.029 56.355 56.400 -0.026 0.000 0.895 192 E CB 1.141 30.822 29.700 -0.033 0.000 1.011 192 E HN 0.316 nan 8.360 nan 0.000 0.432 193 T N 1.597 116.140 114.554 -0.018 0.000 2.746 193 T HA -0.117 4.235 4.350 0.002 0.000 0.267 193 T C 1.006 175.697 174.700 -0.015 0.000 1.039 193 T CA 1.023 63.114 62.100 -0.015 0.000 1.142 193 T CB 0.030 68.891 68.868 -0.012 0.000 0.866 193 T HN 0.299 nan 8.240 nan 0.000 0.444 194 S N 0.990 116.679 115.700 -0.017 0.000 2.452 194 S HA 0.259 4.731 4.470 0.002 0.000 0.284 194 S C 1.189 175.778 174.600 -0.019 0.000 1.171 194 S CA -0.776 57.414 58.200 -0.017 0.000 1.064 194 S CB 1.069 64.258 63.200 -0.017 0.000 0.967 194 S HN 0.369 nan 8.310 nan 0.000 0.484 195 K N 4.258 124.648 120.400 -0.016 0.000 2.074 195 K HA -0.159 4.162 4.320 0.002 0.000 0.209 195 K C 1.847 178.437 176.600 -0.018 0.000 1.048 195 K CA 1.703 57.981 56.287 -0.016 0.000 0.926 195 K CB -0.471 32.023 32.500 -0.010 0.000 0.713 195 K HN 0.732 nan 8.250 nan 0.000 0.444 196 A N 0.514 123.324 122.820 -0.017 0.000 1.929 196 A HA -0.048 4.273 4.320 0.002 0.000 0.216 196 A C 2.205 179.772 177.584 -0.028 0.000 1.176 196 A CA 1.302 53.327 52.037 -0.019 0.000 0.628 196 A CB -0.363 18.628 19.000 -0.015 0.000 0.816 196 A HN 0.175 nan 8.150 nan 0.000 0.444 197 V N -0.150 119.747 119.914 -0.029 0.000 2.358 197 V HA -0.203 3.918 4.120 0.002 0.000 0.246 197 V C 2.609 178.678 176.094 -0.041 0.000 1.047 197 V CA 2.113 64.392 62.300 -0.036 0.000 1.035 197 V CB -0.761 31.043 31.823 -0.031 0.000 0.658 197 V HN 0.578 nan 8.190 nan 0.000 0.452 198 R N -0.569 119.908 120.500 -0.038 0.000 2.081 198 R HA -0.161 4.181 4.340 0.002 0.000 0.235 198 R C 2.307 178.579 176.300 -0.047 0.000 1.131 198 R CA 1.611 57.684 56.100 -0.045 0.000 0.960 198 R CB -0.363 29.911 30.300 -0.043 0.000 0.856 198 R HN 0.392 nan 8.270 nan 0.000 0.436 199 L N 0.599 121.799 121.223 -0.038 0.000 1.989 199 L HA -0.152 4.189 4.340 0.002 0.000 0.211 199 L C 2.344 179.188 176.870 -0.044 0.000 1.071 199 L CA 2.206 57.026 54.840 -0.034 0.000 0.749 199 L CB -0.682 41.364 42.059 -0.022 0.000 0.890 199 L HN 0.223 nan 8.230 nan 0.000 0.431 200 A N -0.891 121.898 122.820 -0.052 0.000 1.940 200 A HA -0.195 4.126 4.320 0.002 0.000 0.219 200 A C 2.394 179.930 177.584 -0.080 0.000 1.176 200 A CA 2.012 54.005 52.037 -0.074 0.000 0.631 200 A CB -1.093 17.860 19.000 -0.078 0.000 0.814 200 A HN 0.564 nan 8.150 nan 0.000 0.446 201 A N -0.592 122.188 122.820 -0.068 0.000 1.929 201 A HA 0.107 4.429 4.320 0.002 0.000 0.216 201 A C 2.141 179.686 177.584 -0.065 0.000 1.176 201 A CA 1.259 53.256 52.037 -0.067 0.000 0.628 201 A CB -0.480 18.483 19.000 -0.062 0.000 0.816 201 A HN 0.454 nan 8.150 nan 0.000 0.444 202 L N -0.123 121.062 121.223 -0.063 0.000 2.056 202 L HA -0.178 4.164 4.340 0.002 0.000 0.207 202 L C 2.210 179.054 176.870 -0.042 0.000 1.078 202 L CA 1.156 55.959 54.840 -0.061 0.000 0.749 202 L CB -0.592 41.430 42.059 -0.062 0.000 0.901 202 L HN 0.330 nan 8.230 nan 0.000 0.433 203 N N 0.266 118.943 118.700 -0.039 0.000 2.244 203 N HA -0.129 4.613 4.740 0.002 0.000 0.183 203 N C 1.847 177.338 175.510 -0.032 0.000 1.016 203 N CA 1.452 54.487 53.050 -0.025 0.000 0.866 203 N CB -0.268 38.201 38.487 -0.031 0.000 0.980 203 N HN 0.319 nan 8.380 nan 0.000 0.430 204 A N 0.869 123.652 122.820 -0.063 0.000 1.930 204 A HA -0.045 4.276 4.320 0.002 0.000 0.217 204 A C 2.186 179.759 177.584 -0.019 0.000 1.175 204 A CA 0.742 52.738 52.037 -0.068 0.000 0.627 204 A CB -0.596 18.346 19.000 -0.096 0.000 0.815 204 A HN 0.197 nan 8.150 nan 0.000 0.443 205 L N -0.088 121.124 121.223 -0.019 0.000 2.046 205 L HA -0.083 4.258 4.340 0.002 0.000 0.208 205 L C 2.681 179.575 176.870 0.039 0.000 1.077 205 L CA 2.108 56.948 54.840 0.000 0.000 0.747 205 L CB -0.934 41.105 42.059 -0.034 0.000 0.896 205 L HN 0.359 nan 8.230 nan 0.000 0.432 206 A N -0.617 122.223 122.820 0.034 0.000 1.865 206 A HA -0.237 4.084 4.320 0.002 0.000 0.217 206 A C 1.960 179.612 177.584 0.112 0.000 1.191 206 A CA 1.934 54.011 52.037 0.066 0.000 0.623 206 A CB -0.979 18.052 19.000 0.052 0.000 0.826 206 A HN 0.536 nan 8.150 nan 0.000 0.444 207 D N 0.067 120.529 120.400 0.103 0.000 2.221 207 D HA -0.064 4.577 4.640 0.002 0.000 0.204 207 D C 1.645 178.085 176.300 0.232 0.000 0.982 207 D CA 1.505 55.594 54.000 0.147 0.000 0.857 207 D CB -0.275 40.588 40.800 0.106 0.000 0.934 207 D HN 0.388 nan 8.370 nan 0.000 0.475 208 S N -0.279 115.546 115.700 0.209 0.000 2.556 208 S HA 0.185 4.656 4.470 0.002 0.000 0.216 208 S C 1.938 176.770 174.600 0.387 0.000 0.970 208 S CA -0.320 58.072 58.200 0.321 0.000 0.912 208 S CB 0.403 63.692 63.200 0.147 0.000 0.790 208 S HN 0.218 nan 8.310 nan 0.000 0.504 209 L N 0.833 122.221 121.223 0.275 0.000 2.083 209 L HA -0.063 4.279 4.340 0.002 0.000 0.209 209 L C 1.892 178.866 176.870 0.175 0.000 1.083 209 L CA 1.360 56.330 54.840 0.217 0.000 0.752 209 L CB -0.381 41.807 42.059 0.216 0.000 0.899 209 L HN 0.370 nan 8.230 nan 0.000 0.433 210 I N -1.351 119.168 120.570 -0.085 0.000 2.617 210 I HA -0.233 3.938 4.170 0.002 0.000 0.256 210 I C 1.601 177.376 176.117 -0.570 0.000 1.167 210 I CA 1.100 62.103 61.300 -0.496 0.000 1.469 210 I CB 0.027 37.453 38.000 -0.956 0.000 1.098 210 I HN 0.118 nan 8.210 nan 0.000 0.436 211 F N 0.094 120.098 119.950 0.090 0.000 2.746 211 F HA 0.177 4.706 4.527 0.003 0.000 0.297 211 F C 1.736 177.566 175.800 0.050 0.000 1.113 211 F CA 0.156 58.193 58.000 0.061 0.000 1.367 211 F CB -0.251 38.775 39.000 0.043 0.000 1.111 211 F HN -0.020 nan 8.300 nan 0.000 0.590 212 I N -1.346 119.324 120.570 0.167 0.000 3.855 212 I HA 0.194 4.365 4.170 0.002 0.000 0.327 212 I C 1.493 177.629 176.117 0.031 0.000 1.359 212 I CA -0.260 61.089 61.300 0.080 0.000 1.142 212 I CB -0.269 37.759 38.000 0.047 0.000 1.041 212 I HN -0.137 nan 8.210 nan 0.000 0.403 213 K N 1.236 121.683 120.400 0.078 0.000 2.089 213 K HA -0.203 4.118 4.320 0.002 0.000 0.210 213 K C 1.364 177.984 176.600 0.034 0.000 1.048 213 K CA 1.900 58.261 56.287 0.123 0.000 0.926 213 K CB -1.384 31.223 32.500 0.179 0.000 0.714 213 K HN 0.386 nan 8.250 nan 0.000 0.448 214 N N 0.695 119.411 118.700 0.026 0.000 2.309 214 N HA -0.061 4.681 4.740 0.002 0.000 0.182 214 N C 1.159 176.644 175.510 -0.042 0.000 1.018 214 N CA 1.054 54.108 53.050 0.006 0.000 0.876 214 N CB -0.302 38.196 38.487 0.018 0.000 0.972 214 N HN 0.434 nan 8.380 nan 0.000 0.434 215 N N 0.732 119.397 118.700 -0.058 0.000 2.207 215 N HA 0.001 4.742 4.740 0.002 0.000 0.182 215 N C 1.577 176.979 175.510 -0.179 0.000 1.020 215 N CA 0.651 53.647 53.050 -0.090 0.000 0.858 215 N CB -0.077 38.373 38.487 -0.063 0.000 0.991 215 N HN 0.140 nan 8.380 nan 0.000 0.427 216 M N 1.444 120.886 119.600 -0.263 0.000 2.346 216 M HA -0.073 4.408 4.480 0.002 0.000 0.263 216 M C 0.358 176.297 176.300 -0.602 0.000 1.064 216 M CA 1.182 56.186 55.300 -0.493 0.000 1.083 216 M CB -0.688 31.388 32.600 -0.872 0.000 1.399 216 M HN 0.105 nan 8.290 nan 0.000 0.435 217 E N 0.727 120.705 120.200 -0.371 0.000 2.354 217 E HA 0.173 4.524 4.350 0.002 0.000 0.252 217 E C -0.416 176.059 176.600 -0.209 0.000 1.330 217 E CA -0.041 56.162 56.400 -0.328 0.000 1.658 217 E CB 0.225 29.925 29.700 0.001 0.000 1.460 217 E HN 0.254 nan 8.360 nan 0.000 0.435 218 R N 0.713 121.062 120.500 -0.252 0.000 2.531 218 R HA 0.089 4.430 4.340 0.002 0.000 0.293 218 R C 0.320 176.544 176.300 -0.126 0.000 1.124 218 R CA -0.327 55.691 56.100 -0.136 0.000 0.945 218 R CB 1.199 31.443 30.300 -0.094 0.000 1.195 218 R HN 0.172 nan 8.270 nan 0.000 0.433 219 E N 2.153 122.306 120.200 -0.078 0.000 2.108 219 E HA -0.258 4.093 4.350 0.002 0.000 0.203 219 E C 1.628 178.221 176.600 -0.011 0.000 1.022 219 E CA 2.267 58.647 56.400 -0.033 0.000 0.823 219 E CB 0.119 29.813 29.700 -0.010 0.000 0.744 219 E HN 0.828 nan 8.360 nan 0.000 0.456 220 G N 0.413 109.200 108.800 -0.022 0.000 2.480 220 G HA2 -0.303 3.658 3.960 0.002 0.000 0.216 220 G HA3 -0.303 3.658 3.960 0.002 0.000 0.216 220 G C 1.352 176.252 174.900 -0.000 0.000 1.200 220 G CA 1.045 46.138 45.100 -0.012 0.000 0.782 220 G HN 0.302 nan 8.290 nan 0.000 0.554 221 E N -0.406 119.777 120.200 -0.029 0.000 2.072 221 E HA -0.042 4.309 4.350 0.002 0.000 0.191 221 E C 2.523 179.113 176.600 -0.017 0.000 0.985 221 E CA 0.619 57.013 56.400 -0.010 0.000 0.801 221 E CB -0.113 29.561 29.700 -0.044 0.000 0.750 221 E HN 0.347 nan 8.360 nan 0.000 0.452 222 R N 0.772 121.218 120.500 -0.089 0.000 2.105 222 R HA -0.161 4.180 4.340 0.002 0.000 0.239 222 R C 1.711 177.960 176.300 -0.086 0.000 1.135 222 R CA 1.543 57.556 56.100 -0.144 0.000 0.967 222 R CB 0.002 30.170 30.300 -0.219 0.000 0.861 222 R HN 0.109 nan 8.270 nan 0.000 0.442 223 N N -0.094 118.633 118.700 0.046 0.000 2.106 223 N HA -0.200 4.541 4.740 0.002 0.000 0.188 223 N C 1.430 176.965 175.510 0.041 0.000 1.029 223 N CA 1.288 54.407 53.050 0.115 0.000 0.848 223 N CB -0.738 37.842 38.487 0.154 0.000 1.007 223 N HN 0.254 nan 8.380 nan 0.000 0.423 224 Y N 1.881 122.145 120.300 -0.061 0.000 2.053 224 Y HA -0.182 4.369 4.550 0.002 0.000 0.277 224 Y C 2.401 178.236 175.900 -0.108 0.000 1.159 224 Y CA 1.446 59.503 58.100 -0.072 0.000 1.125 224 Y CB -0.854 37.567 38.460 -0.065 0.000 0.969 224 Y HN 0.081 nan 8.280 nan 0.000 0.492 225 L N -0.558 120.563 121.223 -0.169 0.000 2.013 225 L HA -0.316 4.026 4.340 0.002 0.000 0.212 225 L C 2.280 178.959 176.870 -0.319 0.000 1.073 225 L CA 2.096 56.776 54.840 -0.267 0.000 0.753 225 L CB -0.378 41.581 42.059 -0.166 0.000 0.890 225 L HN 0.334 nan 8.230 nan 0.000 0.432 226 M N -1.105 118.285 119.600 -0.351 0.000 2.296 226 M HA -0.174 4.308 4.480 0.002 0.000 0.265 226 M C 2.208 178.304 176.300 -0.340 0.000 1.064 226 M CA 1.225 56.252 55.300 -0.455 0.000 1.109 226 M CB -0.948 31.116 32.600 -0.893 0.000 1.396 226 M HN 0.404 nan 8.290 nan 0.000 0.430 227 Q N 0.370 120.013 119.800 -0.263 0.000 2.119 227 Q HA -0.072 4.269 4.340 0.002 0.000 0.201 227 Q C 2.143 177.999 176.000 -0.240 0.000 0.972 227 Q CA 1.258 56.941 55.803 -0.199 0.000 0.847 227 Q CB -0.382 28.270 28.738 -0.144 0.000 0.903 227 Q HN 0.360 nan 8.270 nan 0.000 0.433 228 V N -0.268 119.455 119.914 -0.318 0.000 2.307 228 V HA -0.202 3.920 4.120 0.002 0.000 0.245 228 V C 2.484 178.426 176.094 -0.252 0.000 1.045 228 V CA 1.405 63.526 62.300 -0.298 0.000 1.024 228 V CB -0.596 31.007 31.823 -0.367 0.000 0.651 228 V HN 0.101 nan 8.190 nan 0.000 0.449 229 V N -0.909 118.843 119.914 -0.270 0.000 2.332 229 V HA -0.319 3.803 4.120 0.002 0.000 0.248 229 V C 2.520 178.429 176.094 -0.308 0.000 1.055 229 V CA 2.269 64.405 62.300 -0.272 0.000 1.038 229 V CB -0.860 30.797 31.823 -0.276 0.000 0.651 229 V HN 0.641 nan 8.190 nan 0.000 0.450 230 C N -0.572 118.554 119.300 -0.290 0.000 2.453 230 C HA -0.103 4.358 4.460 0.002 0.000 0.277 230 C C 2.762 177.613 174.990 -0.231 0.000 1.262 230 C CA 0.558 59.409 59.018 -0.277 0.000 1.718 230 C CB -0.922 26.695 27.740 -0.206 0.000 2.031 230 C HN 0.568 nan 8.230 nan 0.000 0.480 231 E N 0.934 121.023 120.200 -0.185 0.000 2.085 231 E HA -0.196 4.155 4.350 0.002 0.000 0.194 231 E C 2.368 178.878 176.600 -0.150 0.000 0.994 231 E CA 1.611 57.925 56.400 -0.143 0.000 0.801 231 E CB -0.490 29.135 29.700 -0.125 0.000 0.743 231 E HN 0.670 nan 8.360 nan 0.000 0.453 232 A N 1.237 123.949 122.820 -0.181 0.000 1.972 232 A HA -0.176 4.145 4.320 0.002 0.000 0.219 232 A C 2.435 179.904 177.584 -0.191 0.000 1.169 232 A CA 2.299 54.236 52.037 -0.166 0.000 0.635 232 A CB -1.021 17.875 19.000 -0.173 0.000 0.810 232 A HN 0.424 nan 8.150 nan 0.000 0.446 233 T N -2.678 111.687 114.554 -0.316 0.000 2.897 233 T HA -0.152 4.199 4.350 0.002 0.000 0.271 233 T C 1.223 175.844 174.700 -0.132 0.000 1.084 233 T CA 1.537 63.388 62.100 -0.416 0.000 1.123 233 T CB -0.262 68.114 68.868 -0.819 0.000 0.865 233 T HN 0.438 nan 8.240 nan 0.000 0.496 234 Q N 0.899 120.637 119.800 -0.103 0.000 2.201 234 Q HA 0.572 4.913 4.340 0.002 0.000 0.217 234 Q C 0.574 176.559 176.000 -0.026 0.000 0.860 234 Q CA -0.078 55.704 55.803 -0.035 0.000 0.984 234 Q CB 0.237 28.952 28.738 -0.038 0.000 1.095 234 Q HN 0.738 nan 8.270 nan 0.000 0.477 235 A N 0.864 123.665 122.820 -0.032 0.000 2.425 235 A HA 0.075 4.396 4.320 0.002 0.000 0.242 235 A C 1.211 178.795 177.584 0.000 0.000 1.077 235 A CA -0.124 51.900 52.037 -0.022 0.000 0.781 235 A CB 0.600 19.584 19.000 -0.028 0.000 1.020 235 A HN 0.063 nan 8.150 nan 0.000 0.494 236 E N 0.317 120.516 120.200 -0.001 0.000 2.152 236 E HA -0.093 4.258 4.350 0.002 0.000 0.192 236 E C 0.149 176.756 176.600 0.011 0.000 0.983 236 E CA 0.522 56.926 56.400 0.006 0.000 0.818 236 E CB 0.014 29.715 29.700 0.002 0.000 0.758 236 E HN 0.780 nan 8.360 nan 0.000 0.467 237 D N 0.544 120.948 120.400 0.006 0.000 2.351 237 D HA -0.026 4.615 4.640 0.002 0.000 0.251 237 D C 1.114 177.426 176.300 0.020 0.000 1.137 237 D CA -0.164 53.842 54.000 0.010 0.000 0.879 237 D CB 1.149 41.950 40.800 0.003 0.000 1.181 237 D HN -0.107 nan 8.370 nan 0.000 0.448 238 I N 4.195 124.780 120.570 0.025 0.000 2.315 238 I HA -0.187 3.984 4.170 0.002 0.000 0.248 238 I C 1.972 178.115 176.117 0.043 0.000 1.117 238 I CA 1.387 62.710 61.300 0.038 0.000 1.404 238 I CB 0.030 38.049 38.000 0.032 0.000 1.071 238 I HN 0.509 nan 8.210 nan 0.000 0.419 239 E N -0.607 119.612 120.200 0.030 0.000 2.107 239 E HA -0.154 4.198 4.350 0.002 0.000 0.191 239 E C 2.290 178.906 176.600 0.026 0.000 0.982 239 E CA 1.361 57.779 56.400 0.029 0.000 0.809 239 E CB -0.103 29.608 29.700 0.019 0.000 0.756 239 E HN 0.339 nan 8.360 nan 0.000 0.459 240 V N 1.590 121.512 119.914 0.013 0.000 2.343 240 V HA -0.284 3.837 4.120 0.002 0.000 0.247 240 V C 2.289 178.383 176.094 0.001 0.000 1.051 240 V CA 1.732 64.030 62.300 -0.004 0.000 1.036 240 V CB -0.498 31.314 31.823 -0.018 0.000 0.654 240 V HN 0.263 nan 8.190 nan 0.000 0.451 241 Q N -0.180 119.638 119.800 0.031 0.000 2.061 241 Q HA -0.234 4.107 4.340 0.002 0.000 0.204 241 Q C 2.434 178.532 176.000 0.163 0.000 0.984 241 Q CA 1.973 57.824 55.803 0.079 0.000 0.846 241 Q CB -0.432 28.390 28.738 0.140 0.000 0.902 241 Q HN 0.676 nan 8.270 nan 0.000 0.421 242 A N 0.894 123.802 122.820 0.146 0.000 1.972 242 A HA -0.102 4.219 4.320 0.002 0.000 0.219 242 A C 2.260 179.914 177.584 0.117 0.000 1.169 242 A CA 1.515 53.647 52.037 0.158 0.000 0.635 242 A CB -0.639 18.419 19.000 0.095 0.000 0.810 242 A HN 0.412 nan 8.150 nan 0.000 0.446 243 A N -0.044 122.811 122.820 0.057 0.000 1.902 243 A HA 0.178 4.499 4.320 0.002 0.000 0.217 243 A C 2.511 180.088 177.584 -0.010 0.000 1.181 243 A CA 2.013 54.063 52.037 0.021 0.000 0.623 243 A CB -1.021 17.976 19.000 -0.005 0.000 0.818 243 A HN 1.000 nan 8.150 nan 0.000 0.443 244 A N -0.956 121.829 122.820 -0.059 0.000 1.858 244 A HA -0.035 4.287 4.320 0.002 0.000 0.216 244 A C 1.953 179.406 177.584 -0.220 0.000 1.190 244 A CA 1.632 53.558 52.037 -0.185 0.000 0.617 244 A CB -0.853 17.969 19.000 -0.297 0.000 0.827 244 A HN 0.446 nan 8.150 nan 0.000 0.443 245 F N 0.566 120.456 119.950 -0.101 0.000 2.161 245 F HA -0.059 4.469 4.527 0.002 0.000 0.300 245 F C 2.639 178.415 175.800 -0.039 0.000 1.089 245 F CA 1.035 58.969 58.000 -0.111 0.000 1.282 245 F CB -0.922 38.043 39.000 -0.058 0.000 1.010 245 F HN 0.281 nan 8.300 nan 0.000 0.485 246 G N -1.001 107.894 108.800 0.159 0.000 2.476 246 G HA2 -0.309 3.652 3.960 0.002 0.000 0.218 246 G HA3 -0.309 3.652 3.960 0.002 0.000 0.218 246 G C 1.906 176.851 174.900 0.075 0.000 1.164 246 G CA 1.261 46.427 45.100 0.110 0.000 0.768 246 G HN 0.439 nan 8.290 nan 0.000 0.560 247 C N 0.036 119.347 119.300 0.020 0.000 2.413 247 C HA 0.026 4.487 4.460 0.002 0.000 0.277 247 C C 2.964 177.959 174.990 0.008 0.000 1.228 247 C CA 0.774 59.791 59.018 -0.001 0.000 1.731 247 C CB -1.067 26.636 27.740 -0.062 0.000 2.042 247 C HN 0.468 nan 8.230 nan 0.000 0.468 248 L N -0.209 120.980 121.223 -0.057 0.000 2.043 248 L HA -0.249 4.092 4.340 0.002 0.000 0.212 248 L C 2.684 179.676 176.870 0.204 0.000 1.075 248 L CA 1.658 56.466 54.840 -0.053 0.000 0.752 248 L CB -0.693 41.119 42.059 -0.412 0.000 0.891 248 L HN 0.513 nan 8.230 nan 0.000 0.432 249 C N -0.321 119.129 119.300 0.250 0.000 2.436 249 C HA -0.161 4.301 4.460 0.002 0.000 0.277 249 C C 2.796 177.890 174.990 0.173 0.000 1.241 249 C CA 0.600 59.781 59.018 0.270 0.000 1.721 249 C CB -0.700 27.175 27.740 0.225 0.000 2.043 249 C HN 0.425 nan 8.230 nan 0.000 0.472 250 K N 0.501 120.980 120.400 0.132 0.000 2.032 250 K HA -0.140 4.181 4.320 0.002 0.000 0.209 250 K C 1.756 178.438 176.600 0.137 0.000 1.048 250 K CA 1.483 57.834 56.287 0.108 0.000 0.927 250 K CB -0.383 32.174 32.500 0.096 0.000 0.712 250 K HN 0.513 nan 8.250 nan 0.000 0.441 251 I N 0.721 121.395 120.570 0.174 0.000 2.226 251 I HA -0.302 3.869 4.170 0.002 0.000 0.245 251 I C 2.552 178.837 176.117 0.281 0.000 1.100 251 I CA 0.985 62.444 61.300 0.266 0.000 1.374 251 I CB -0.129 37.971 38.000 0.166 0.000 1.057 251 I HN 0.166 nan 8.210 nan 0.000 0.413 252 M N 0.291 120.038 119.600 0.245 0.000 2.213 252 M HA -0.167 4.314 4.480 0.002 0.000 0.263 252 M C 2.266 178.705 176.300 0.233 0.000 1.062 252 M CA 1.816 57.271 55.300 0.257 0.000 1.105 252 M CB -0.386 32.347 32.600 0.222 0.000 1.385 252 M HN 0.075 nan 8.290 nan 0.000 0.417 253 S N -0.072 115.712 115.700 0.140 0.000 2.377 253 S HA -0.008 4.463 4.470 0.002 0.000 0.223 253 S C 1.845 176.438 174.600 -0.012 0.000 1.030 253 S CA 0.838 59.075 58.200 0.061 0.000 0.970 253 S CB -0.181 63.037 63.200 0.029 0.000 0.830 253 S HN 0.430 nan 8.310 nan 0.000 0.473 254 K N 0.371 120.721 120.400 -0.082 0.000 2.167 254 K HA 0.085 4.406 4.320 0.002 0.000 0.203 254 K C 0.145 176.408 176.600 -0.562 0.000 1.052 254 K CA 0.977 57.017 56.287 -0.412 0.000 0.956 254 K CB -0.091 32.020 32.500 -0.648 0.000 0.735 254 K HN 0.453 nan 8.250 nan 0.000 0.451 255 Y N -0.995 119.420 120.300 0.191 0.000 2.696 255 Y HA 0.126 4.677 4.550 0.002 0.000 0.255 255 Y C 1.119 177.199 175.900 0.300 0.000 1.103 255 Y CA -1.230 57.037 58.100 0.279 0.000 1.126 255 Y CB -0.452 38.215 38.460 0.345 0.000 1.197 255 Y HN -0.000 nan 8.280 nan 0.000 0.574 256 Y N 0.992 121.425 120.300 0.221 0.000 2.096 256 Y HA -0.426 4.125 4.550 0.001 0.000 0.278 256 Y C 2.706 178.788 175.900 0.303 0.000 1.192 256 Y CA 2.658 60.904 58.100 0.242 0.000 1.143 256 Y CB -0.355 38.165 38.460 0.100 0.000 0.963 256 Y HN 0.303 nan 8.280 nan 0.000 0.505 257 T N -0.538 114.167 114.554 0.251 0.000 2.721 257 T HA -0.279 4.073 4.350 0.002 0.000 0.268 257 T C 1.227 175.962 174.700 0.058 0.000 1.038 257 T CA 2.079 64.211 62.100 0.053 0.000 1.145 257 T CB -0.632 68.063 68.868 -0.287 0.000 0.858 257 T HN 0.337 nan 8.240 nan 0.000 0.459 258 F N 0.111 120.239 119.950 0.296 0.000 2.732 258 F HA 0.406 4.935 4.527 0.002 0.000 0.303 258 F C 1.784 177.697 175.800 0.187 0.000 1.110 258 F CA -0.130 57.999 58.000 0.215 0.000 1.355 258 F CB -0.109 39.030 39.000 0.230 0.000 1.081 258 F HN 0.157 nan 8.300 nan 0.000 0.565 259 M N -0.496 119.297 119.600 0.322 0.000 2.509 259 M HA 0.015 4.496 4.480 0.002 0.000 0.250 259 M C 2.153 178.523 176.300 0.117 0.000 1.132 259 M CA 0.645 56.115 55.300 0.284 0.000 1.080 259 M CB -0.628 32.080 32.600 0.180 0.000 1.408 259 M HN 0.126 nan 8.290 nan 0.000 0.484 260 K N 1.135 121.501 120.400 -0.055 0.000 2.032 260 K HA -0.147 4.174 4.320 0.002 0.000 0.209 260 K C -0.934 175.592 176.600 -0.123 0.000 1.048 260 K CA 1.564 57.793 56.287 -0.096 0.000 0.927 260 K CB -0.712 31.355 32.500 -0.721 0.000 0.712 260 K HN 0.104 nan 8.250 nan 0.000 0.441 261 P HA -0.143 nan 4.420 nan 0.000 0.216 261 P C 0.684 177.829 177.300 -0.258 0.000 1.153 261 P CA 1.342 64.251 63.100 -0.318 0.000 0.848 261 P CB -0.076 31.326 31.700 -0.498 0.000 0.787 262 Y N -1.578 118.700 120.300 -0.036 0.000 2.200 262 Y HA -0.108 4.444 4.550 0.003 0.000 0.290 262 Y C 2.531 178.403 175.900 -0.047 0.000 1.137 262 Y CA 0.832 58.905 58.100 -0.046 0.000 1.163 262 Y CB -1.383 37.043 38.460 -0.055 0.000 0.988 262 Y HN -0.150 nan 8.280 nan 0.000 0.518 263 M N 0.285 119.908 119.600 0.039 0.000 2.065 263 M HA -0.227 4.254 4.480 0.002 0.000 0.259 263 M C 2.030 178.408 176.300 0.131 0.000 1.071 263 M CA 1.698 56.995 55.300 -0.005 0.000 1.109 263 M CB -1.252 31.123 32.600 -0.374 0.000 1.313 263 M HN 0.365 nan 8.290 nan 0.000 0.408 264 E N -0.396 119.838 120.200 0.056 0.000 2.077 264 E HA -0.202 4.149 4.350 0.002 0.000 0.193 264 E C 1.971 178.553 176.600 -0.030 0.000 0.989 264 E CA 0.909 57.296 56.400 -0.022 0.000 0.800 264 E CB -0.036 29.634 29.700 -0.050 0.000 0.746 264 E HN 0.492 nan 8.360 nan 0.000 0.452 265 Q N -1.486 118.312 119.800 -0.003 0.000 2.392 265 Q HA 0.171 4.512 4.340 0.002 0.000 0.203 265 Q C 0.826 176.852 176.000 0.043 0.000 0.917 265 Q CA 0.598 56.403 55.803 0.004 0.000 0.939 265 Q CB 1.586 30.317 28.738 -0.011 0.000 1.063 265 Q HN 0.235 nan 8.270 nan 0.000 0.516 266 A N -0.991 121.877 122.820 0.080 0.000 1.655 266 A HA 0.172 4.493 4.320 0.002 0.000 0.180 266 A C 1.537 179.189 177.584 0.114 0.000 1.582 266 A CA -0.151 51.934 52.037 0.080 0.000 1.292 266 A CB -0.523 18.510 19.000 0.055 0.000 1.144 266 A HN 0.141 nan 8.150 nan 0.000 0.609 267 L N -0.747 120.542 121.223 0.110 0.000 2.046 267 L HA -0.171 4.171 4.340 0.002 0.000 0.208 267 L C 2.449 179.469 176.870 0.250 0.000 1.077 267 L CA 2.036 56.934 54.840 0.098 0.000 0.747 267 L CB -0.539 41.538 42.059 0.031 0.000 0.896 267 L HN 0.639 nan 8.230 nan 0.000 0.432 268 Y N 0.671 121.067 120.300 0.160 0.000 2.069 268 Y HA -0.411 4.140 4.550 0.002 0.000 0.278 268 Y C 2.474 178.512 175.900 0.229 0.000 1.175 268 Y CA 1.866 60.124 58.100 0.263 0.000 1.134 268 Y CB -0.343 38.233 38.460 0.192 0.000 0.965 268 Y HN 0.152 nan 8.280 nan 0.000 0.498 269 A N -0.653 122.418 122.820 0.418 0.000 1.968 269 A HA -0.059 4.263 4.320 0.002 0.000 0.217 269 A C 2.260 179.956 177.584 0.186 0.000 1.169 269 A CA 1.411 53.614 52.037 0.277 0.000 0.638 269 A CB -0.905 18.209 19.000 0.189 0.000 0.812 269 A HN 0.530 nan 8.150 nan 0.000 0.446 270 L N -0.047 121.272 121.223 0.160 0.000 2.156 270 L HA -0.112 4.230 4.340 0.002 0.000 0.208 270 L C 2.897 179.871 176.870 0.173 0.000 1.095 270 L CA 1.703 56.612 54.840 0.115 0.000 0.770 270 L CB -0.620 41.463 42.059 0.039 0.000 0.914 270 L HN 0.646 nan 8.230 nan 0.000 0.439 271 T N -2.929 111.778 114.554 0.254 0.000 2.978 271 T HA -0.023 4.328 4.350 0.002 0.000 0.262 271 T C 1.895 176.767 174.700 0.286 0.000 1.063 271 T CA 0.205 62.532 62.100 0.377 0.000 1.140 271 T CB -0.108 69.141 68.868 0.636 0.000 0.886 271 T HN -0.025 nan 8.240 nan 0.000 0.470 272 I N 2.732 123.421 120.570 0.198 0.000 2.179 272 I HA -0.074 4.097 4.170 0.002 0.000 0.242 272 I C 3.126 179.286 176.117 0.072 0.000 1.088 272 I CA 1.281 62.628 61.300 0.077 0.000 1.357 272 I CB -1.769 36.267 38.000 0.058 0.000 1.051 272 I HN 0.374 nan 8.210 nan 0.000 0.409 273 A N 1.075 123.953 122.820 0.097 0.000 1.865 273 A HA -0.248 4.073 4.320 0.002 0.000 0.217 273 A C 2.396 180.025 177.584 0.075 0.000 1.191 273 A CA 3.017 55.099 52.037 0.076 0.000 0.623 273 A CB -1.267 17.780 19.000 0.078 0.000 0.826 273 A HN 0.553 nan 8.150 nan 0.000 0.444 274 T N -2.910 111.712 114.554 0.114 0.000 2.995 274 T HA -0.024 4.327 4.350 0.002 0.000 0.269 274 T C 1.815 176.554 174.700 0.065 0.000 1.091 274 T CA 1.378 63.545 62.100 0.112 0.000 1.128 274 T CB -0.328 68.663 68.868 0.205 0.000 0.891 274 T HN 0.353 nan 8.240 nan 0.000 0.492 275 M N 0.747 120.385 119.600 0.064 0.000 2.279 275 M HA -0.004 4.477 4.480 0.002 0.000 0.264 275 M C 1.897 178.190 176.300 -0.013 0.000 1.062 275 M CA 1.401 56.709 55.300 0.014 0.000 1.099 275 M CB -0.152 32.443 32.600 -0.009 0.000 1.394 275 M HN 0.114 nan 8.290 nan 0.000 0.426 276 K N -0.369 120.031 120.400 -0.001 0.000 2.366 276 K HA 0.037 4.359 4.320 0.002 0.000 0.198 276 K C 0.909 177.505 176.600 -0.006 0.000 1.044 276 K CA 0.177 56.458 56.287 -0.010 0.000 0.973 276 K CB -0.208 32.291 32.500 -0.002 0.000 0.767 276 K HN 0.266 nan 8.250 nan 0.000 0.475 277 S N 2.557 118.260 115.700 0.006 0.000 2.573 277 S HA -0.017 4.454 4.470 0.002 0.000 0.297 277 S C -1.280 173.317 174.600 -0.004 0.000 1.280 277 S CA -1.122 57.083 58.200 0.008 0.000 1.061 277 S CB 0.664 63.876 63.200 0.019 0.000 0.812 277 S HN 0.048 nan 8.310 nan 0.000 0.500 278 P HA -0.092 nan 4.420 nan 0.000 0.220 278 P C 0.241 177.535 177.300 -0.009 0.000 1.148 278 P CA 0.487 63.581 63.100 -0.010 0.000 0.803 278 P CB -0.242 31.454 31.700 -0.007 0.000 0.782 279 N N 1.300 119.998 118.700 -0.002 0.000 2.468 279 N HA -0.039 4.702 4.740 0.002 0.000 0.265 279 N C 0.543 176.049 175.510 -0.007 0.000 1.199 279 N CA 0.360 53.410 53.050 -0.000 0.000 0.928 279 N CB 0.373 38.865 38.487 0.009 0.000 1.059 279 N HN -0.196 nan 8.380 nan 0.000 0.467 280 D N 2.894 123.288 120.400 -0.009 0.000 2.144 280 D HA -0.090 4.552 4.640 0.002 0.000 0.200 280 D C 1.371 177.666 176.300 -0.009 0.000 0.978 280 D CA 1.050 55.040 54.000 -0.016 0.000 0.833 280 D CB 0.319 41.108 40.800 -0.018 0.000 0.961 280 D HN 0.494 nan 8.370 nan 0.000 0.470 281 K N 0.594 120.996 120.400 0.003 0.000 2.057 281 K HA -0.061 4.260 4.320 0.002 0.000 0.207 281 K C 2.156 178.751 176.600 -0.008 0.000 1.049 281 K CA 0.370 56.663 56.287 0.010 0.000 0.931 281 K CB -0.559 31.954 32.500 0.022 0.000 0.714 281 K HN 0.092 nan 8.250 nan 0.000 0.440 282 V N 1.368 121.279 119.914 -0.004 0.000 2.237 282 V HA -0.254 3.867 4.120 0.002 0.000 0.245 282 V C 2.489 178.541 176.094 -0.071 0.000 1.046 282 V CA 2.064 64.357 62.300 -0.011 0.000 1.007 282 V CB -0.842 30.996 31.823 0.026 0.000 0.638 282 V HN 0.313 nan 8.190 nan 0.000 0.445 283 A N -0.679 122.114 122.820 -0.045 0.000 1.940 283 A HA -0.248 4.073 4.320 0.002 0.000 0.219 283 A C 2.488 180.029 177.584 -0.072 0.000 1.176 283 A CA 2.428 54.433 52.037 -0.053 0.000 0.631 283 A CB -0.773 18.204 19.000 -0.038 0.000 0.814 283 A HN 0.499 nan 8.150 nan 0.000 0.446 284 S N -0.815 114.852 115.700 -0.055 0.000 2.348 284 S HA -0.202 4.269 4.470 0.002 0.000 0.221 284 S C 2.023 176.573 174.600 -0.084 0.000 1.033 284 S CA 1.747 59.931 58.200 -0.025 0.000 1.010 284 S CB -0.421 62.794 63.200 0.026 0.000 0.891 284 S HN 0.580 nan 8.310 nan 0.000 0.442 285 M N 0.614 120.110 119.600 -0.173 0.000 2.204 285 M HA -0.243 4.238 4.480 0.002 0.000 0.255 285 M C 2.580 178.483 176.300 -0.661 0.000 1.073 285 M CA 2.308 57.379 55.300 -0.381 0.000 1.084 285 M CB -0.846 31.446 32.600 -0.514 0.000 1.289 285 M HN 0.505 nan 8.290 nan 0.000 0.419 286 T N -0.945 113.150 114.554 -0.764 0.000 2.904 286 T HA -0.049 4.302 4.350 0.002 0.000 0.267 286 T C 1.538 176.294 174.700 0.093 0.000 1.059 286 T CA 1.275 63.067 62.100 -0.513 0.000 1.137 286 T CB -0.276 68.473 68.868 -0.199 0.000 0.879 286 T HN 0.211 nan 8.240 nan 0.000 0.467 287 V N 1.269 121.221 119.914 0.063 0.000 2.343 287 V HA -0.073 4.048 4.120 0.002 0.000 0.247 287 V C 2.820 179.041 176.094 0.211 0.000 1.051 287 V CA 2.131 64.535 62.300 0.174 0.000 1.036 287 V CB -0.797 31.080 31.823 0.090 0.000 0.654 287 V HN 0.439 nan 8.190 nan 0.000 0.451 288 E N -0.171 120.106 120.200 0.128 0.000 2.118 288 E HA -0.221 4.130 4.350 0.002 0.000 0.195 288 E C 1.845 178.551 176.600 0.178 0.000 0.992 288 E CA 1.254 57.737 56.400 0.138 0.000 0.804 288 E CB -0.467 29.291 29.700 0.095 0.000 0.741 288 E HN 0.543 nan 8.360 nan 0.000 0.458 289 F N -0.932 119.038 119.950 0.033 0.000 2.095 289 F HA -0.184 4.344 4.527 0.002 0.000 0.298 289 F C 1.689 177.455 175.800 -0.057 0.000 1.104 289 F CA 1.611 59.619 58.000 0.012 0.000 1.232 289 F CB -0.670 38.367 39.000 0.062 0.000 0.987 289 F HN 0.102 nan 8.300 nan 0.000 0.475 290 W N 0.173 121.458 121.300 -0.025 0.000 2.425 290 W HA -0.098 4.562 4.660 0.001 0.000 0.277 290 W C 2.730 179.213 176.519 -0.060 0.000 1.231 290 W CA 1.348 58.639 57.345 -0.090 0.000 1.248 290 W CB -0.547 28.991 29.460 0.130 0.000 1.117 290 W HN -0.101 nan 8.180 nan 0.000 0.568 291 S N -0.628 115.186 115.700 0.190 0.000 2.371 291 S HA -0.152 4.320 4.470 0.002 0.000 0.224 291 S C 1.738 176.349 174.600 0.019 0.000 1.029 291 S CA 1.745 60.015 58.200 0.118 0.000 0.978 291 S CB -0.746 62.537 63.200 0.139 0.000 0.833 291 S HN 0.196 nan 8.310 nan 0.000 0.466 292 T N 2.940 117.483 114.554 -0.018 0.000 2.665 292 T HA -0.082 4.270 4.350 0.002 0.000 0.268 292 T C 1.712 176.354 174.700 -0.097 0.000 1.035 292 T CA 1.276 63.349 62.100 -0.046 0.000 1.151 292 T CB -0.494 68.360 68.868 -0.024 0.000 0.862 292 T HN 0.295 nan 8.240 nan 0.000 0.438 293 I N 0.641 121.073 120.570 -0.231 0.000 2.163 293 I HA -0.237 3.934 4.170 0.002 0.000 0.243 293 I C 2.722 178.808 176.117 -0.052 0.000 1.085 293 I CA 1.065 62.260 61.300 -0.174 0.000 1.347 293 I CB -0.435 37.304 38.000 -0.435 0.000 1.044 293 I HN 0.359 nan 8.210 nan 0.000 0.408 294 C N 0.499 119.746 119.300 -0.087 0.000 2.432 294 C HA -0.142 4.319 4.460 0.002 0.000 0.277 294 C C 2.627 177.572 174.990 -0.074 0.000 1.249 294 C CA 0.719 59.666 59.018 -0.119 0.000 1.725 294 C CB -1.070 26.569 27.740 -0.168 0.000 2.028 294 C HN 0.493 nan 8.230 nan 0.000 0.477 295 E N 0.520 120.691 120.200 -0.048 0.000 2.049 295 E HA -0.220 4.131 4.350 0.002 0.000 0.198 295 E C 2.154 178.713 176.600 -0.069 0.000 1.007 295 E CA 1.205 57.581 56.400 -0.039 0.000 0.809 295 E CB -0.200 29.485 29.700 -0.024 0.000 0.749 295 E HN 0.595 nan 8.360 nan 0.000 0.450 296 E N 0.379 120.524 120.200 -0.092 0.000 2.274 296 E HA -0.130 4.221 4.350 0.002 0.000 0.194 296 E C 1.797 178.217 176.600 -0.299 0.000 0.996 296 E CA 0.577 56.876 56.400 -0.167 0.000 0.840 296 E CB 0.083 29.706 29.700 -0.129 0.000 0.772 296 E HN 0.365 nan 8.360 nan 0.000 0.491 297 E N 0.378 120.436 120.200 -0.237 0.000 2.107 297 E HA -0.059 4.292 4.350 0.002 0.000 0.191 297 E C 2.169 178.682 176.600 -0.145 0.000 0.982 297 E CA 0.359 56.614 56.400 -0.242 0.000 0.809 297 E CB 0.049 29.675 29.700 -0.125 0.000 0.756 297 E HN 0.212 nan 8.360 nan 0.000 0.459 298 I N 1.601 122.124 120.570 -0.078 0.000 2.226 298 I HA -0.260 3.911 4.170 0.002 0.000 0.245 298 I C 1.643 177.799 176.117 0.066 0.000 1.100 298 I CA 1.089 62.391 61.300 0.003 0.000 1.374 298 I CB -0.119 37.902 38.000 0.036 0.000 1.057 298 I HN 0.008 nan 8.210 nan 0.000 0.413 299 D N 0.775 121.178 120.400 0.004 0.000 2.178 299 D HA -0.119 4.522 4.640 0.002 0.000 0.201 299 D C 2.193 178.491 176.300 -0.003 0.000 0.980 299 D CA 1.141 55.150 54.000 0.014 0.000 0.842 299 D CB -0.143 40.618 40.800 -0.064 0.000 0.948 299 D HN 0.331 nan 8.370 nan 0.000 0.472 300 I N 0.865 121.371 120.570 -0.106 0.000 2.226 300 I HA -0.257 3.914 4.170 0.002 0.000 0.245 300 I C 2.379 178.458 176.117 -0.064 0.000 1.100 300 I CA 0.913 62.131 61.300 -0.137 0.000 1.374 300 I CB -0.161 37.671 38.000 -0.280 0.000 1.057 300 I HN -0.051 nan 8.210 nan 0.000 0.413 301 A N 0.159 122.947 122.820 -0.052 0.000 1.908 301 A HA -0.272 4.050 4.320 0.002 0.000 0.218 301 A C 2.173 179.722 177.584 -0.059 0.000 1.181 301 A CA 1.635 53.633 52.037 -0.065 0.000 0.627 301 A CB -1.098 17.850 19.000 -0.087 0.000 0.818 301 A HN 0.414 nan 8.150 nan 0.000 0.445 302 Y N -0.487 119.789 120.300 -0.041 0.000 2.224 302 Y HA -0.182 4.370 4.550 0.003 0.000 0.289 302 Y C 2.542 178.444 175.900 0.003 0.000 1.146 302 Y CA 1.943 60.030 58.100 -0.021 0.000 1.182 302 Y CB -0.096 38.352 38.460 -0.020 0.000 0.983 302 Y HN 0.494 nan 8.280 nan 0.000 0.524 303 E N 0.043 120.339 120.200 0.160 0.000 2.072 303 E HA -0.173 4.178 4.350 0.002 0.000 0.191 303 E C 2.017 178.711 176.600 0.156 0.000 0.985 303 E CA 0.963 57.456 56.400 0.155 0.000 0.801 303 E CB -0.205 29.533 29.700 0.064 0.000 0.750 303 E HN 0.424 nan 8.360 nan 0.000 0.452 304 L N 0.139 121.400 121.223 0.062 0.000 2.141 304 L HA -0.104 4.237 4.340 0.002 0.000 0.209 304 L C 2.514 179.397 176.870 0.022 0.000 1.094 304 L CA 0.848 55.712 54.840 0.041 0.000 0.763 304 L CB -0.367 41.683 42.059 -0.015 0.000 0.908 304 L HN 0.191 nan 8.230 nan 0.000 0.437 305 A N -0.847 121.965 122.820 -0.013 0.000 2.067 305 A HA -0.207 4.115 4.320 0.002 0.000 0.219 305 A C 2.170 179.722 177.584 -0.054 0.000 1.158 305 A CA 1.309 53.313 52.037 -0.055 0.000 0.661 305 A CB -0.228 18.698 19.000 -0.123 0.000 0.801 305 A HN 0.464 nan 8.150 nan 0.000 0.452 306 Q N -2.620 117.164 119.800 -0.027 0.000 2.281 306 Q HA 0.286 4.628 4.340 0.002 0.000 0.215 306 Q C -1.054 174.695 176.000 -0.418 0.000 0.867 306 Q CA 0.017 55.716 55.803 -0.173 0.000 0.940 306 Q CB 0.468 29.136 28.738 -0.116 0.000 1.111 306 Q HN 0.543 nan 8.270 nan 0.000 0.513 307 F N -0.095 119.845 119.950 -0.017 0.000 2.766 307 F HA 0.296 4.823 4.527 0.001 0.000 0.355 307 F C -2.024 173.759 175.800 -0.028 0.000 1.434 307 F CA -1.658 56.330 58.000 -0.021 0.000 1.139 307 F CB 1.622 40.609 39.000 -0.022 0.000 1.816 307 F HN -0.020 nan 8.300 nan 0.000 0.600 308 P HA -0.191 nan 4.420 nan 0.000 0.222 308 P C 0.952 178.280 177.300 0.046 0.000 1.147 308 P CA 1.179 64.304 63.100 0.041 0.000 0.790 308 P CB 0.204 31.905 31.700 0.003 0.000 0.780 309 Q N -0.371 119.471 119.800 0.070 0.000 2.482 309 Q HA 0.094 4.435 4.340 0.002 0.000 0.209 309 Q C 0.993 177.021 176.000 0.047 0.000 0.961 309 Q CA -0.099 55.736 55.803 0.054 0.000 0.945 309 Q CB -1.405 27.368 28.738 0.058 0.000 1.012 309 Q HN 0.036 nan 8.270 nan 0.000 0.515 310 S N 2.508 118.245 115.700 0.062 0.000 2.558 310 S HA 0.092 4.563 4.470 0.002 0.000 0.288 310 S C -1.278 173.310 174.600 -0.021 0.000 1.318 310 S CA -0.926 57.279 58.200 0.009 0.000 1.056 310 S CB 0.528 63.732 63.200 0.007 0.000 0.853 310 S HN 0.296 nan 8.310 nan 0.000 0.505 311 P HA 0.112 nan 4.420 nan 0.000 0.241 311 P C 0.225 177.487 177.300 -0.063 0.000 1.191 311 P CA -0.102 62.972 63.100 -0.043 0.000 0.771 311 P CB -0.030 31.645 31.700 -0.043 0.000 0.929 312 L N 0.618 121.791 121.223 -0.082 0.000 2.452 312 L HA 0.333 4.674 4.340 0.002 0.000 0.267 312 L C -0.052 176.742 176.870 -0.126 0.000 1.188 312 L CA 0.250 55.021 54.840 -0.114 0.000 0.821 312 L CB 0.237 42.221 42.059 -0.126 0.000 1.102 312 L HN -0.052 nan 8.230 nan 0.000 0.470 313 Q N 2.051 121.737 119.800 -0.189 0.000 2.391 313 Q HA 0.385 4.726 4.340 0.002 0.000 0.279 313 Q C -1.526 174.277 176.000 -0.327 0.000 1.028 313 Q CA -0.588 55.091 55.803 -0.206 0.000 0.836 313 Q CB 1.777 30.426 28.738 -0.150 0.000 1.414 313 Q HN 0.765 nan 8.270 nan 0.000 0.397 314 S N 1.665 117.211 115.700 -0.256 0.000 2.565 314 S HA 0.241 4.712 4.470 0.002 0.000 0.276 314 S C -0.160 174.291 174.600 -0.248 0.000 1.326 314 S CA -0.140 57.913 58.200 -0.246 0.000 1.045 314 S CB 0.354 63.451 63.200 -0.171 0.000 0.918 314 S HN 0.620 nan 8.310 nan 0.000 0.505 315 Y N 2.588 122.795 120.300 -0.154 0.000 2.490 315 Y HA 0.264 4.814 4.550 0.001 0.000 0.281 315 Y C 1.112 176.766 175.900 -0.411 0.000 1.174 315 Y CA -0.418 57.406 58.100 -0.461 0.000 1.295 315 Y CB -0.677 37.120 38.460 -1.105 0.000 1.062 315 Y HN 0.703 nan 8.280 nan 0.000 0.522 316 N N -0.621 118.012 118.700 -0.113 0.000 2.727 316 N HA -0.240 4.501 4.740 0.002 0.000 0.249 316 N C 0.431 176.021 175.510 0.132 0.000 1.048 316 N CA 0.837 53.885 53.050 -0.003 0.000 0.714 316 N CB -1.828 36.661 38.487 0.004 0.000 0.959 316 N HN 0.255 nan 8.380 nan 0.000 0.544 317 F N 0.409 120.510 119.950 0.251 0.000 2.126 317 F HA -0.126 4.403 4.527 0.003 0.000 0.299 317 F C 2.518 178.552 175.800 0.389 0.000 1.096 317 F CA 1.420 59.602 58.000 0.303 0.000 1.255 317 F CB -0.757 38.369 39.000 0.210 0.000 0.997 317 F HN 0.370 nan 8.300 nan 0.000 0.479 318 A N 0.125 123.217 122.820 0.454 0.000 1.858 318 A HA -0.136 4.186 4.320 0.002 0.000 0.216 318 A C 2.342 180.101 177.584 0.291 0.000 1.190 318 A CA 1.374 53.567 52.037 0.261 0.000 0.617 318 A CB -1.184 17.618 19.000 -0.331 0.000 0.827 318 A HN 0.380 nan 8.150 nan 0.000 0.443 319 L N -0.314 121.006 121.223 0.162 0.000 1.990 319 L HA -0.207 4.134 4.340 0.002 0.000 0.213 319 L C 2.627 179.578 176.870 0.136 0.000 1.072 319 L CA 2.048 56.942 54.840 0.089 0.000 0.755 319 L CB -0.327 41.709 42.059 -0.038 0.000 0.889 319 L HN 0.368 nan 8.230 nan 0.000 0.432 320 S N -0.970 114.853 115.700 0.205 0.000 2.469 320 S HA -0.107 4.364 4.470 0.002 0.000 0.238 320 S C 1.624 176.421 174.600 0.328 0.000 0.998 320 S CA 1.214 59.570 58.200 0.260 0.000 0.957 320 S CB 0.017 63.419 63.200 0.337 0.000 0.764 320 S HN 0.436 nan 8.310 nan 0.000 0.514 321 S N 0.506 116.377 115.700 0.286 0.000 2.554 321 S HA 0.338 4.810 4.470 0.002 0.000 0.226 321 S C 1.339 175.927 174.600 -0.020 0.000 0.980 321 S CA -0.313 57.946 58.200 0.098 0.000 0.939 321 S CB 0.015 63.130 63.200 -0.142 0.000 0.832 321 S HN 0.403 nan 8.310 nan 0.000 0.486 322 I N 1.336 121.951 120.570 0.074 0.000 2.264 322 I HA -0.211 3.960 4.170 0.002 0.000 0.248 322 I C 2.502 178.565 176.117 -0.091 0.000 1.111 322 I CA 1.103 62.391 61.300 -0.020 0.000 1.382 322 I CB -0.103 37.934 38.000 0.061 0.000 1.060 322 I HN 0.131 nan 8.210 nan 0.000 0.418 323 K N 0.891 121.281 120.400 -0.016 0.000 2.097 323 K HA -0.149 4.172 4.320 0.002 0.000 0.205 323 K C 1.582 178.150 176.600 -0.054 0.000 1.050 323 K CA 1.497 57.775 56.287 -0.015 0.000 0.938 323 K CB -0.218 32.304 32.500 0.038 0.000 0.718 323 K HN 0.313 nan 8.250 nan 0.000 0.442 324 D N -0.904 119.454 120.400 -0.070 0.000 2.146 324 D HA -0.066 4.575 4.640 0.002 0.000 0.209 324 D C 1.944 178.100 176.300 -0.239 0.000 0.973 324 D CA 1.021 54.956 54.000 -0.109 0.000 0.860 324 D CB -0.256 40.500 40.800 -0.073 0.000 1.015 324 D HN -0.054 nan 8.370 nan 0.000 0.465 325 V N 1.387 121.065 119.914 -0.394 0.000 2.270 325 V HA -0.170 3.951 4.120 0.002 0.000 0.245 325 V C 2.742 178.490 176.094 -0.576 0.000 1.043 325 V CA 0.986 62.929 62.300 -0.594 0.000 1.014 325 V CB -0.425 30.826 31.823 -0.954 0.000 0.645 325 V HN 0.005 nan 8.190 nan 0.000 0.447 326 V N 0.464 120.016 119.914 -0.605 0.000 2.287 326 V HA -0.166 3.955 4.120 0.002 0.000 0.248 326 V C 0.129 175.979 176.094 -0.407 0.000 1.053 326 V CA 2.611 64.554 62.300 -0.595 0.000 1.027 326 V CB -1.903 29.614 31.823 -0.510 0.000 0.646 326 V HN 0.507 nan 8.190 nan 0.000 0.447 327 P HA -0.124 nan 4.420 nan 0.000 0.216 327 P C 1.359 178.532 177.300 -0.211 0.000 1.153 327 P CA 1.421 64.399 63.100 -0.204 0.000 0.858 327 P CB -0.176 31.456 31.700 -0.113 0.000 0.789 328 N N -0.836 117.732 118.700 -0.219 0.000 2.244 328 N HA -0.063 4.679 4.740 0.002 0.000 0.183 328 N C 1.772 177.150 175.510 -0.220 0.000 1.016 328 N CA 0.888 53.825 53.050 -0.188 0.000 0.866 328 N CB -0.542 37.841 38.487 -0.174 0.000 0.980 328 N HN 0.215 nan 8.380 nan 0.000 0.430 329 L N 0.808 121.851 121.223 -0.300 0.000 2.056 329 L HA -0.075 4.266 4.340 0.002 0.000 0.207 329 L C 2.196 178.873 176.870 -0.323 0.000 1.078 329 L CA 0.753 55.417 54.840 -0.293 0.000 0.749 329 L CB -0.289 41.557 42.059 -0.355 0.000 0.901 329 L HN 0.089 nan 8.230 nan 0.000 0.433 330 L N -0.560 120.393 121.223 -0.451 0.000 2.141 330 L HA -0.211 4.130 4.340 0.002 0.000 0.209 330 L C 2.149 178.723 176.870 -0.493 0.000 1.094 330 L CA 1.141 55.530 54.840 -0.751 0.000 0.763 330 L CB -0.590 40.711 42.059 -1.263 0.000 0.908 330 L HN 0.325 nan 8.230 nan 0.000 0.437 331 N N 0.189 118.746 118.700 -0.239 0.000 2.244 331 N HA -0.127 4.614 4.740 0.002 0.000 0.183 331 N C 1.795 177.250 175.510 -0.090 0.000 1.016 331 N CA 0.865 53.873 53.050 -0.071 0.000 0.866 331 N CB -0.027 38.429 38.487 -0.052 0.000 0.980 331 N HN 0.227 nan 8.380 nan 0.000 0.430 332 L N -0.020 121.122 121.223 -0.134 0.000 2.291 332 L HA -0.041 4.300 4.340 0.002 0.000 0.214 332 L C 1.781 178.575 176.870 -0.128 0.000 1.120 332 L CA 0.424 55.192 54.840 -0.121 0.000 0.799 332 L CB -0.304 41.681 42.059 -0.123 0.000 0.925 332 L HN 0.282 nan 8.230 nan 0.000 0.446 333 L N -0.093 121.045 121.223 -0.142 0.000 2.265 333 L HA -0.148 4.193 4.340 0.002 0.000 0.215 333 L C 2.227 179.046 176.870 -0.085 0.000 1.117 333 L CA 1.511 56.281 54.840 -0.118 0.000 0.782 333 L CB -0.735 41.255 42.059 -0.115 0.000 0.914 333 L HN 0.439 nan 8.230 nan 0.000 0.441 334 T N -4.005 110.503 114.554 -0.076 0.000 3.219 334 T HA 0.058 4.410 4.350 0.002 0.000 0.249 334 T C 1.212 175.812 174.700 -0.167 0.000 1.099 334 T CA -0.187 61.835 62.100 -0.129 0.000 0.988 334 T CB -0.167 68.642 68.868 -0.098 0.000 0.999 334 T HN 0.240 nan 8.240 nan 0.000 0.550 335 R N 1.272 121.693 120.500 -0.132 0.000 2.831 335 R HA 0.256 4.597 4.340 0.002 0.000 0.337 335 R C -0.203 176.035 176.300 -0.103 0.000 1.200 335 R CA -0.298 55.733 56.100 -0.116 0.000 1.088 335 R CB 0.171 30.413 30.300 -0.097 0.000 1.397 335 R HN 0.481 nan 8.270 nan 0.000 0.581 336 Q N 0.659 120.399 119.800 -0.099 0.000 2.651 336 Q HA 0.033 4.374 4.340 0.002 0.000 0.224 336 Q C 0.018 176.033 176.000 0.025 0.000 1.094 336 Q CA 0.219 56.003 55.803 -0.032 0.000 1.018 336 Q CB 0.380 29.161 28.738 0.071 0.000 1.292 336 Q HN 0.061 nan 8.270 nan 0.000 0.588 337 N N 1.578 120.305 118.700 0.045 0.000 2.488 337 N HA -0.007 4.735 4.740 0.002 0.000 0.274 337 N C 0.489 176.083 175.510 0.140 0.000 1.111 337 N CA -0.168 52.915 53.050 0.056 0.000 0.974 337 N CB 1.018 39.511 38.487 0.011 0.000 1.089 337 N HN 0.506 nan 8.380 nan 0.000 0.465 338 E N 0.694 120.978 120.200 0.141 0.000 2.038 338 E HA -0.180 4.171 4.350 0.002 0.000 0.195 338 E C -0.142 176.479 176.600 0.034 0.000 1.000 338 E CA 1.210 57.715 56.400 0.175 0.000 0.803 338 E CB -0.108 29.668 29.700 0.127 0.000 0.750 338 E HN 0.566 nan 8.360 nan 0.000 0.448 339 D N 0.685 121.090 120.400 0.009 0.000 2.389 339 D HA -0.033 4.609 4.640 0.002 0.000 0.263 339 D C -1.831 174.423 176.300 -0.078 0.000 1.255 339 D CA -1.499 52.481 54.000 -0.032 0.000 0.914 339 D CB 1.035 41.833 40.800 -0.003 0.000 1.116 339 D HN -0.114 nan 8.370 nan 0.000 0.502 340 P HA -0.097 nan 4.420 nan 0.000 0.223 340 P C 0.008 177.179 177.300 -0.213 0.000 1.144 340 P CA 0.889 63.845 63.100 -0.241 0.000 0.783 340 P CB 0.056 31.549 31.700 -0.345 0.000 0.771 341 E N -1.637 118.497 120.200 -0.110 0.000 3.105 341 E HA 0.118 4.470 4.350 0.002 0.000 0.219 341 E C 0.327 176.953 176.600 0.044 0.000 1.064 341 E CA -0.340 56.042 56.400 -0.030 0.000 1.342 341 E CB -0.179 29.614 29.700 0.155 0.000 1.295 341 E HN -0.032 nan 8.360 nan 0.000 0.438 342 D N 2.624 123.025 120.400 0.002 0.000 2.106 342 D HA -0.190 4.451 4.640 0.002 0.000 0.203 342 D C 1.143 177.464 176.300 0.035 0.000 0.977 342 D CA 2.174 56.187 54.000 0.023 0.000 0.844 342 D CB 0.056 40.860 40.800 0.007 0.000 1.002 342 D HN 0.416 nan 8.370 nan 0.000 0.461 343 D N -0.137 120.269 120.400 0.011 0.000 2.978 343 D HA -0.232 4.409 4.640 0.002 0.000 0.205 343 D C -0.804 175.531 176.300 0.059 0.000 1.093 343 D CA 0.975 54.991 54.000 0.027 0.000 1.006 343 D CB -2.220 38.615 40.800 0.059 0.000 1.116 343 D HN 0.252 nan 8.370 nan 0.000 0.419 344 D N 0.520 120.953 120.400 0.054 0.000 2.458 344 D HA 0.099 4.740 4.640 0.002 0.000 0.243 344 D C 0.097 176.456 176.300 0.099 0.000 1.146 344 D CA -0.035 54.017 54.000 0.087 0.000 0.877 344 D CB 0.011 40.848 40.800 0.062 0.000 1.176 344 D HN 0.211 nan 8.370 nan 0.000 0.461 345 W N 4.890 126.181 121.300 -0.015 0.000 2.308 345 W HA 0.033 4.694 4.660 0.002 0.000 0.324 345 W C -0.350 176.159 176.519 -0.017 0.000 1.387 345 W CA -0.099 57.234 57.345 -0.021 0.000 1.250 345 W CB 0.157 29.606 29.460 -0.019 0.000 1.257 345 W HN 0.480 nan 8.180 nan 0.000 0.554 346 N N 3.327 121.746 118.700 -0.467 0.000 2.697 346 N HA 0.072 4.813 4.740 0.002 0.000 0.272 346 N C -0.093 175.198 175.510 -0.365 0.000 1.381 346 N CA -0.709 52.182 53.050 -0.265 0.000 0.797 346 N CB 1.472 39.852 38.487 -0.179 0.000 1.523 346 N HN 0.249 nan 8.380 nan 0.000 0.518 347 V N 1.032 120.841 119.914 -0.175 0.000 2.453 347 V HA -0.269 3.852 4.120 0.002 0.000 0.252 347 V C 2.524 178.500 176.094 -0.196 0.000 1.068 347 V CA 3.172 65.389 62.300 -0.138 0.000 1.070 347 V CB -0.960 30.815 31.823 -0.079 0.000 0.664 347 V HN 0.860 nan 8.190 nan 0.000 0.461 348 S N -0.575 114.985 115.700 -0.234 0.000 2.383 348 S HA -0.231 4.240 4.470 0.002 0.000 0.227 348 S C 1.958 176.364 174.600 -0.323 0.000 1.026 348 S CA 1.985 60.045 58.200 -0.233 0.000 0.981 348 S CB -0.495 62.588 63.200 -0.195 0.000 0.818 348 S HN 0.619 nan 8.310 nan 0.000 0.472 349 M N 1.385 120.654 119.600 -0.551 0.000 2.200 349 M HA 0.003 4.484 4.480 0.002 0.000 0.265 349 M C 2.594 178.553 176.300 -0.567 0.000 1.066 349 M CA 1.252 56.076 55.300 -0.793 0.000 1.127 349 M CB -0.657 30.997 32.600 -1.577 0.000 1.379 349 M HN 0.341 nan 8.290 nan 0.000 0.420 350 S N 0.975 116.430 115.700 -0.408 0.000 2.370 350 S HA -0.144 4.327 4.470 0.002 0.000 0.226 350 S C 2.114 176.739 174.600 0.041 0.000 1.033 350 S CA 1.516 59.767 58.200 0.084 0.000 1.011 350 S CB -0.398 62.897 63.200 0.157 0.000 0.852 350 S HN 0.570 nan 8.310 nan 0.000 0.457 351 A N 1.312 124.096 122.820 -0.060 0.000 1.933 351 A HA 0.075 4.396 4.320 0.002 0.000 0.218 351 A C 2.302 179.857 177.584 -0.048 0.000 1.175 351 A CA 1.732 53.733 52.037 -0.060 0.000 0.628 351 A CB -1.349 17.579 19.000 -0.120 0.000 0.814 351 A HN 0.523 nan 8.150 nan 0.000 0.444 352 G N -0.391 108.365 108.800 -0.073 0.000 2.433 352 G HA2 -0.006 3.955 3.960 0.002 0.000 0.216 352 G HA3 -0.006 3.955 3.960 0.002 0.000 0.216 352 G C 1.793 176.730 174.900 0.061 0.000 1.186 352 G CA 1.500 46.582 45.100 -0.030 0.000 0.779 352 G HN 0.796 nan 8.290 nan 0.000 0.543 353 A N -0.138 122.742 122.820 0.100 0.000 1.908 353 A HA -0.164 4.158 4.320 0.002 0.000 0.218 353 A C 2.598 180.282 177.584 0.166 0.000 1.181 353 A CA 1.957 54.098 52.037 0.174 0.000 0.627 353 A CB -1.267 17.892 19.000 0.264 0.000 0.818 353 A HN 0.521 nan 8.150 nan 0.000 0.445 354 C N -1.277 118.121 119.300 0.164 0.000 2.429 354 C HA -0.035 4.426 4.460 0.002 0.000 0.277 354 C C 2.497 177.649 174.990 0.270 0.000 1.262 354 C CA 1.246 60.395 59.018 0.218 0.000 1.733 354 C CB -1.411 26.452 27.740 0.206 0.000 2.010 354 C HN 0.598 nan 8.230 nan 0.000 0.483 355 L N 0.951 122.266 121.223 0.152 0.000 2.027 355 L HA -0.130 4.212 4.340 0.002 0.000 0.206 355 L C 2.606 179.578 176.870 0.171 0.000 1.074 355 L CA 1.931 56.842 54.840 0.119 0.000 0.745 355 L CB -0.948 41.106 42.059 -0.008 0.000 0.898 355 L HN 0.418 nan 8.230 nan 0.000 0.433 356 Q N -0.793 119.098 119.800 0.150 0.000 2.112 356 Q HA -0.240 4.101 4.340 0.002 0.000 0.206 356 Q C 2.266 178.350 176.000 0.140 0.000 0.987 356 Q CA 2.052 57.941 55.803 0.143 0.000 0.858 356 Q CB -0.335 28.499 28.738 0.159 0.000 0.905 356 Q HN 0.527 nan 8.270 nan 0.000 0.420 357 L N -0.801 120.512 121.223 0.151 0.000 2.046 357 L HA -0.174 4.167 4.340 0.002 0.000 0.208 357 L C 2.180 179.102 176.870 0.088 0.000 1.077 357 L CA 0.967 55.870 54.840 0.106 0.000 0.747 357 L CB -0.404 41.710 42.059 0.091 0.000 0.896 357 L HN 0.183 nan 8.230 nan 0.000 0.432 358 F N 0.205 120.186 119.950 0.051 0.000 2.126 358 F HA -0.278 4.250 4.527 0.002 0.000 0.299 358 F C 2.592 178.411 175.800 0.032 0.000 1.096 358 F CA 1.521 59.545 58.000 0.039 0.000 1.255 358 F CB -0.454 38.548 39.000 0.002 0.000 0.997 358 F HN 0.026 nan 8.300 nan 0.000 0.479 359 A N -0.437 122.506 122.820 0.205 0.000 1.858 359 A HA -0.264 4.057 4.320 0.002 0.000 0.216 359 A C 2.060 179.694 177.584 0.084 0.000 1.190 359 A CA 1.851 53.957 52.037 0.115 0.000 0.617 359 A CB -0.913 18.127 19.000 0.066 0.000 0.827 359 A HN 0.475 nan 8.150 nan 0.000 0.443 360 Q N -1.000 118.846 119.800 0.075 0.000 2.170 360 Q HA -0.183 4.158 4.340 0.002 0.000 0.203 360 Q C 1.980 178.002 176.000 0.037 0.000 0.976 360 Q CA 1.470 57.306 55.803 0.056 0.000 0.858 360 Q CB -0.182 28.595 28.738 0.065 0.000 0.907 360 Q HN 0.714 nan 8.270 nan 0.000 0.433 361 N N -0.545 118.166 118.700 0.018 0.000 2.336 361 N HA -0.050 4.691 4.740 0.002 0.000 0.177 361 N C 0.848 176.361 175.510 0.005 0.000 1.018 361 N CA 0.848 53.886 53.050 -0.019 0.000 0.878 361 N CB 0.081 38.509 38.487 -0.098 0.000 0.997 361 N HN 0.163 nan 8.380 nan 0.000 0.433 362 C N -0.424 118.908 119.300 0.053 0.000 3.070 362 C HA 0.566 5.027 4.460 0.002 0.000 0.280 362 C C 1.520 176.620 174.990 0.183 0.000 1.264 362 C CA -0.166 58.920 59.018 0.113 0.000 1.690 362 C CB -1.053 26.788 27.740 0.168 0.000 2.049 362 C HN 0.595 nan 8.230 nan 0.000 0.636 363 G N 2.505 111.374 108.800 0.116 0.000 2.634 363 G HA2 -0.389 3.573 3.960 0.002 0.000 0.309 363 G HA3 -0.389 3.573 3.960 0.002 0.000 0.309 363 G C 0.805 175.754 174.900 0.080 0.000 1.265 363 G CA 0.977 46.130 45.100 0.088 0.000 0.998 363 G HN 0.357 nan 8.290 nan 0.000 0.551 364 N N 0.325 119.042 118.700 0.028 0.000 2.272 364 N HA -0.085 4.656 4.740 0.002 0.000 0.185 364 N C 1.746 177.223 175.510 -0.054 0.000 1.014 364 N CA 1.819 54.847 53.050 -0.038 0.000 0.870 364 N CB -0.597 37.830 38.487 -0.101 0.000 0.975 364 N HN 0.733 nan 8.380 nan 0.000 0.433 365 H N -0.260 118.830 119.070 0.033 0.000 2.489 365 H HA -0.003 4.554 4.556 0.001 0.000 0.293 365 H C 1.729 177.073 175.328 0.027 0.000 1.066 365 H CA 0.587 56.657 56.048 0.037 0.000 1.305 365 H CB -0.033 29.762 29.762 0.055 0.000 1.386 365 H HN 0.107 nan 8.280 nan 0.000 0.551 366 I N 0.152 120.800 120.570 0.131 0.000 2.830 366 I HA -0.146 4.026 4.170 0.002 0.000 0.263 366 I C 1.498 177.597 176.117 -0.031 0.000 1.230 366 I CA 0.825 62.160 61.300 0.059 0.000 1.480 366 I CB -0.157 37.884 38.000 0.068 0.000 1.095 366 I HN 0.214 nan 8.210 nan 0.000 0.455 367 L N -0.120 121.066 121.223 -0.063 0.000 2.005 367 L HA -0.212 4.129 4.340 0.002 0.000 0.207 367 L C 2.477 179.237 176.870 -0.184 0.000 1.072 367 L CA 1.830 56.560 54.840 -0.183 0.000 0.744 367 L CB -0.838 41.093 42.059 -0.213 0.000 0.895 367 L HN 0.302 nan 8.230 nan 0.000 0.433 368 E N 0.714 120.859 120.200 -0.092 0.000 2.033 368 E HA -0.227 4.124 4.350 0.002 0.000 0.199 368 E C -0.633 175.949 176.600 -0.029 0.000 1.011 368 E CA 1.924 58.297 56.400 -0.046 0.000 0.815 368 E CB -0.792 28.913 29.700 0.008 0.000 0.755 368 E HN 0.287 nan 8.360 nan 0.000 0.451 369 P HA -0.093 nan 4.420 nan 0.000 0.221 369 P C 1.580 178.879 177.300 -0.001 0.000 1.150 369 P CA 0.922 64.014 63.100 -0.015 0.000 0.800 369 P CB 0.067 31.739 31.700 -0.048 0.000 0.787 370 V N 0.093 119.988 119.914 -0.032 0.000 2.407 370 V HA -0.147 3.974 4.120 0.002 0.000 0.245 370 V C 2.719 178.868 176.094 0.091 0.000 1.041 370 V CA 1.346 63.646 62.300 0.000 0.000 1.040 370 V CB -1.076 30.707 31.823 -0.066 0.000 0.671 370 V HN -0.008 nan 8.190 nan 0.000 0.455 371 L N -0.382 120.846 121.223 0.009 0.000 2.156 371 L HA -0.129 4.213 4.340 0.002 0.000 0.208 371 L C 2.470 179.385 176.870 0.075 0.000 1.095 371 L CA 1.361 56.226 54.840 0.041 0.000 0.770 371 L CB -0.533 41.460 42.059 -0.111 0.000 0.914 371 L HN 0.371 nan 8.230 nan 0.000 0.439 372 E N -0.208 120.031 120.200 0.066 0.000 2.047 372 E HA -0.235 4.116 4.350 0.002 0.000 0.191 372 E C 2.004 178.655 176.600 0.085 0.000 0.987 372 E CA 1.300 57.740 56.400 0.066 0.000 0.799 372 E CB -0.151 29.582 29.700 0.056 0.000 0.752 372 E HN 0.374 nan 8.360 nan 0.000 0.449 373 F N 1.229 121.169 119.950 -0.017 0.000 2.102 373 F HA -0.243 4.285 4.527 0.002 0.000 0.298 373 F C 2.112 177.911 175.800 -0.001 0.000 1.105 373 F CA 1.164 59.153 58.000 -0.019 0.000 1.239 373 F CB -0.266 38.714 39.000 -0.033 0.000 0.991 373 F HN -0.200 nan 8.300 nan 0.000 0.474 374 V N 0.688 120.718 119.914 0.193 0.000 2.255 374 V HA -0.341 3.780 4.120 0.002 0.000 0.247 374 V C 2.428 178.499 176.094 -0.038 0.000 1.051 374 V CA 2.413 64.778 62.300 0.108 0.000 1.018 374 V CB -0.801 31.167 31.823 0.241 0.000 0.641 374 V HN 0.457 nan 8.190 nan 0.000 0.445 375 E N -0.453 119.744 120.200 -0.005 0.000 2.160 375 E HA -0.311 4.040 4.350 0.002 0.000 0.195 375 E C 2.220 178.773 176.600 -0.079 0.000 0.991 375 E CA 1.621 58.004 56.400 -0.028 0.000 0.810 375 E CB -0.003 29.703 29.700 0.010 0.000 0.742 375 E HN 0.698 nan 8.360 nan 0.000 0.466 376 Q N -0.575 119.147 119.800 -0.129 0.000 2.398 376 Q HA 0.015 4.356 4.340 0.002 0.000 0.204 376 Q C 1.140 176.995 176.000 -0.242 0.000 0.932 376 Q CA 0.572 56.278 55.803 -0.162 0.000 0.916 376 Q CB 0.408 29.053 28.738 -0.155 0.000 1.024 376 Q HN 0.188 nan 8.270 nan 0.000 0.504 377 N N -0.316 118.181 118.700 -0.339 0.000 2.210 377 N HA 0.017 4.758 4.740 0.002 0.000 0.203 377 N C 1.226 176.616 175.510 -0.199 0.000 1.175 377 N CA 0.105 52.944 53.050 -0.353 0.000 0.894 377 N CB 0.510 38.593 38.487 -0.673 0.000 1.041 377 N HN 0.183 nan 8.380 nan 0.000 0.506 378 I N 1.778 122.260 120.570 -0.146 0.000 2.361 378 I HA -0.155 4.016 4.170 0.002 0.000 0.251 378 I C 0.928 177.007 176.117 -0.064 0.000 1.133 378 I CA 1.412 62.663 61.300 -0.082 0.000 1.413 378 I CB 0.062 38.019 38.000 -0.071 0.000 1.073 378 I HN 0.044 nan 8.210 nan 0.000 0.424 379 T N -1.554 112.958 114.554 -0.071 0.000 3.516 379 T HA 0.777 5.128 4.350 0.002 0.000 0.245 379 T C -0.048 174.619 174.700 -0.056 0.000 1.077 379 T CA -0.211 61.858 62.100 -0.051 0.000 1.222 379 T CB -0.169 68.672 68.868 -0.044 0.000 1.045 379 T HN 0.213 nan 8.240 nan 0.000 0.585 380 A N 0.589 123.369 122.820 -0.066 0.000 2.269 380 A HA 0.636 4.957 4.320 0.002 0.000 0.327 380 A C 1.063 178.620 177.584 -0.044 0.000 1.112 380 A CA -0.642 51.352 52.037 -0.071 0.000 0.865 380 A CB 0.660 19.595 19.000 -0.109 0.000 1.227 380 A HN 0.369 nan 8.150 nan 0.000 0.498 381 D N 0.086 120.460 120.400 -0.043 0.000 2.104 381 D HA -0.121 4.520 4.640 0.002 0.000 0.194 381 D C 0.542 176.836 176.300 -0.010 0.000 0.994 381 D CA 1.396 55.382 54.000 -0.023 0.000 0.830 381 D CB -0.137 40.647 40.800 -0.026 0.000 0.959 381 D HN 0.651 nan 8.370 nan 0.000 0.452 382 N N 0.779 119.449 118.700 -0.050 0.000 2.514 382 N HA -0.008 4.733 4.740 0.002 0.000 0.277 382 N C 1.618 177.087 175.510 -0.069 0.000 1.126 382 N CA -0.647 52.350 53.050 -0.088 0.000 0.978 382 N CB 1.163 39.533 38.487 -0.194 0.000 1.106 382 N HN 0.166 nan 8.380 nan 0.000 0.461 383 W N 4.552 125.831 121.300 -0.035 0.000 2.358 383 W HA -0.140 4.521 4.660 0.002 0.000 0.303 383 W C 0.977 177.478 176.519 -0.031 0.000 1.208 383 W CA 0.461 57.785 57.345 -0.035 0.000 1.274 383 W CB -0.584 28.853 29.460 -0.039 0.000 1.138 383 W HN 0.584 nan 8.180 nan 0.000 0.515 384 R N 0.902 120.769 120.500 -1.056 0.000 2.117 384 R HA -0.175 4.166 4.340 0.002 0.000 0.243 384 R C 2.097 178.187 176.300 -0.350 0.000 1.143 384 R CA 2.025 57.538 56.100 -0.978 0.000 0.968 384 R CB -0.535 29.150 30.300 -1.024 0.000 0.863 384 R HN 0.382 nan 8.270 nan 0.000 0.444 385 N N 0.228 118.774 118.700 -0.256 0.000 2.171 385 N HA -0.086 4.655 4.740 0.002 0.000 0.184 385 N C 1.786 177.243 175.510 -0.088 0.000 1.021 385 N CA 0.796 53.754 53.050 -0.154 0.000 0.854 385 N CB -0.049 38.330 38.487 -0.180 0.000 0.994 385 N HN 0.245 nan 8.380 nan 0.000 0.426 386 R N 1.174 121.649 120.500 -0.042 0.000 2.081 386 R HA -0.067 4.274 4.340 0.002 0.000 0.235 386 R C 2.123 178.465 176.300 0.071 0.000 1.131 386 R CA 0.814 56.922 56.100 0.014 0.000 0.960 386 R CB -0.152 30.178 30.300 0.051 0.000 0.856 386 R HN 0.276 nan 8.270 nan 0.000 0.436 387 E N 1.088 121.359 120.200 0.118 0.000 2.051 387 E HA -0.153 4.199 4.350 0.002 0.000 0.192 387 E C 1.826 178.506 176.600 0.134 0.000 0.991 387 E CA 1.456 57.948 56.400 0.154 0.000 0.799 387 E CB -0.028 29.823 29.700 0.253 0.000 0.748 387 E HN 0.286 nan 8.360 nan 0.000 0.449 388 A N 1.143 124.030 122.820 0.112 0.000 1.972 388 A HA -0.069 4.252 4.320 0.002 0.000 0.219 388 A C 2.389 180.173 177.584 0.334 0.000 1.169 388 A CA 1.964 54.111 52.037 0.183 0.000 0.635 388 A CB -0.562 18.571 19.000 0.222 0.000 0.810 388 A HN 0.368 nan 8.150 nan 0.000 0.446 389 A N -0.065 122.914 122.820 0.265 0.000 1.855 389 A HA 0.001 4.322 4.320 0.002 0.000 0.215 389 A C 2.266 180.006 177.584 0.259 0.000 1.191 389 A CA 2.118 54.312 52.037 0.261 0.000 0.613 389 A CB -1.150 17.874 19.000 0.040 0.000 0.829 389 A HN 0.935 nan 8.150 nan 0.000 0.442 390 V N -2.513 117.521 119.914 0.201 0.000 2.453 390 V HA -0.214 3.907 4.120 0.002 0.000 0.247 390 V C 2.409 178.716 176.094 0.354 0.000 1.048 390 V CA 2.037 64.476 62.300 0.231 0.000 1.049 390 V CB -1.158 30.767 31.823 0.171 0.000 0.672 390 V HN 0.456 nan 8.190 nan 0.000 0.457 391 M N 2.404 122.198 119.600 0.322 0.000 2.082 391 M HA -0.119 4.363 4.480 0.002 0.000 0.258 391 M C 2.241 178.750 176.300 0.348 0.000 1.071 391 M CA 2.592 58.103 55.300 0.351 0.000 1.103 391 M CB -1.098 31.586 32.600 0.140 0.000 1.307 391 M HN 0.350 nan 8.290 nan 0.000 0.409 392 A N -0.683 122.286 122.820 0.248 0.000 1.903 392 A HA -0.249 4.072 4.320 0.002 0.000 0.219 392 A C 2.218 179.920 177.584 0.197 0.000 1.191 392 A CA 2.282 54.418 52.037 0.166 0.000 0.638 392 A CB -1.591 17.507 19.000 0.163 0.000 0.823 392 A HN 0.685 nan 8.150 nan 0.000 0.451 393 F N 0.823 120.849 119.950 0.127 0.000 2.134 393 F HA -0.008 4.521 4.527 0.002 0.000 0.299 393 F C 2.382 178.210 175.800 0.047 0.000 1.097 393 F CA 1.588 59.633 58.000 0.074 0.000 1.264 393 F CB -0.576 38.459 39.000 0.059 0.000 1.001 393 F HN 0.223 nan 8.300 nan 0.000 0.479 394 G N -1.285 107.678 108.800 0.271 0.000 2.448 394 G HA2 -0.212 3.750 3.960 0.002 0.000 0.219 394 G HA3 -0.212 3.750 3.960 0.002 0.000 0.219 394 G C 1.693 176.579 174.900 -0.023 0.000 1.127 394 G CA 0.947 46.035 45.100 -0.021 0.000 0.766 394 G HN 0.400 nan 8.290 nan 0.000 0.552 395 S N 0.272 116.072 115.700 0.166 0.000 2.522 395 S HA 0.015 4.486 4.470 0.002 0.000 0.227 395 S C 1.775 176.400 174.600 0.041 0.000 0.986 395 S CA 0.731 59.036 58.200 0.176 0.000 0.929 395 S CB -0.112 63.210 63.200 0.203 0.000 0.769 395 S HN 0.687 nan 8.310 nan 0.000 0.529 396 I N -3.143 117.380 120.570 -0.078 0.000 3.889 396 I HA 0.328 4.499 4.170 0.002 0.000 0.332 396 I C 1.023 177.037 176.117 -0.171 0.000 1.493 396 I CA -0.071 61.152 61.300 -0.128 0.000 1.158 396 I CB 0.031 37.910 38.000 -0.201 0.000 1.117 396 I HN 0.035 nan 8.210 nan 0.000 0.411 397 M N 0.782 120.295 119.600 -0.144 0.000 2.556 397 M HA 0.208 4.689 4.480 0.002 0.000 0.245 397 M C -0.093 176.178 176.300 -0.048 0.000 1.128 397 M CA 0.664 55.894 55.300 -0.118 0.000 1.069 397 M CB -0.921 31.610 32.600 -0.115 0.000 1.469 397 M HN 0.327 nan 8.290 nan 0.000 0.494 398 D N -0.243 120.146 120.400 -0.017 0.000 2.471 398 D HA 0.526 5.167 4.640 0.002 0.000 0.245 398 D C 0.590 176.904 176.300 0.023 0.000 1.116 398 D CA 0.568 54.577 54.000 0.015 0.000 0.853 398 D CB 1.017 41.843 40.800 0.043 0.000 1.123 398 D HN 0.313 nan 8.370 nan 0.000 0.540 399 G N 4.219 113.031 108.800 0.020 0.000 4.020 399 G HA2 -0.095 3.867 3.960 0.002 0.000 0.195 399 G HA3 -0.095 3.867 3.960 0.002 0.000 0.195 399 G C -2.245 172.667 174.900 0.021 0.000 1.819 399 G CA -0.402 44.714 45.100 0.027 0.000 1.109 399 G HN 0.538 nan 8.290 nan 0.000 0.385 400 P HA 0.376 nan 4.420 nan 0.000 0.271 400 P C -0.630 176.679 177.300 0.015 0.000 1.244 400 P CA 0.275 63.384 63.100 0.016 0.000 0.793 400 P CB 0.376 32.083 31.700 0.012 0.000 0.984 401 D N -0.898 119.511 120.400 0.015 0.000 2.344 401 D HA 0.075 4.716 4.640 0.002 0.000 0.244 401 D C 1.126 177.438 176.300 0.020 0.000 1.134 401 D CA -0.462 53.544 54.000 0.010 0.000 0.930 401 D CB 0.585 41.385 40.800 -0.001 0.000 1.175 401 D HN 0.226 nan 8.370 nan 0.000 0.437 402 K N 0.506 120.915 120.400 0.014 0.000 2.074 402 K HA -0.180 4.142 4.320 0.002 0.000 0.209 402 K C 1.766 178.385 176.600 0.032 0.000 1.048 402 K CA 1.396 57.695 56.287 0.021 0.000 0.926 402 K CB -0.243 32.265 32.500 0.013 0.000 0.713 402 K HN 0.410 nan 8.250 nan 0.000 0.444 403 V N 1.518 121.444 119.914 0.020 0.000 2.255 403 V HA -0.276 3.845 4.120 0.002 0.000 0.247 403 V C 2.554 178.674 176.094 0.044 0.000 1.051 403 V CA 1.748 64.058 62.300 0.016 0.000 1.018 403 V CB -0.466 31.347 31.823 -0.017 0.000 0.641 403 V HN 0.414 nan 8.190 nan 0.000 0.445 404 Q N -0.207 119.625 119.800 0.054 0.000 2.079 404 Q HA -0.152 4.189 4.340 0.002 0.000 0.200 404 Q C 2.409 178.559 176.000 0.251 0.000 0.974 404 Q CA 1.511 57.395 55.803 0.134 0.000 0.840 404 Q CB -0.409 28.415 28.738 0.144 0.000 0.898 404 Q HN 0.597 nan 8.270 nan 0.000 0.430 405 R N -0.214 120.381 120.500 0.159 0.000 2.081 405 R HA -0.085 4.257 4.340 0.002 0.000 0.235 405 R C 2.401 178.797 176.300 0.161 0.000 1.131 405 R CA 1.656 57.840 56.100 0.141 0.000 0.960 405 R CB -0.336 29.999 30.300 0.058 0.000 0.856 405 R HN 0.231 nan 8.270 nan 0.000 0.436 406 T N 0.342 114.971 114.554 0.126 0.000 2.674 406 T HA -0.222 4.129 4.350 0.002 0.000 0.265 406 T C 1.464 176.246 174.700 0.136 0.000 1.039 406 T CA 1.590 63.759 62.100 0.115 0.000 1.150 406 T CB -0.512 68.404 68.868 0.081 0.000 0.864 406 T HN 0.317 nan 8.240 nan 0.000 0.427 407 Y N 0.809 121.089 120.300 -0.033 0.000 2.081 407 Y HA -0.292 4.260 4.550 0.003 0.000 0.280 407 Y C 2.074 177.913 175.900 -0.102 0.000 1.163 407 Y CA 1.457 59.464 58.100 -0.156 0.000 1.135 407 Y CB -0.534 37.727 38.460 -0.332 0.000 0.970 407 Y HN 0.262 nan 8.280 nan 0.000 0.498 408 Y N -1.485 118.909 120.300 0.157 0.000 2.337 408 Y HA -0.104 4.447 4.550 0.001 0.000 0.293 408 Y C 2.482 178.502 175.900 0.200 0.000 1.123 408 Y CA 1.111 59.293 58.100 0.136 0.000 1.201 408 Y CB -0.742 37.872 38.460 0.257 0.000 1.011 408 Y HN -0.013 nan 8.280 nan 0.000 0.545 409 V N -0.219 119.908 119.914 0.354 0.000 2.261 409 V HA -0.338 3.783 4.120 0.002 0.000 0.246 409 V C 2.489 178.597 176.094 0.023 0.000 1.047 409 V CA 2.361 64.803 62.300 0.236 0.000 1.015 409 V CB -0.755 31.163 31.823 0.158 0.000 0.642 409 V HN 0.514 nan 8.190 nan 0.000 0.446 410 H N -0.066 118.965 119.070 -0.065 0.000 2.357 410 H HA -0.263 4.295 4.556 0.002 0.000 0.296 410 H C 2.333 177.622 175.328 -0.064 0.000 1.108 410 H CA 2.587 58.602 56.048 -0.054 0.000 1.273 410 H CB 0.078 29.831 29.762 -0.014 0.000 1.367 410 H HN 0.514 nan 8.280 nan 0.000 0.498 411 Q N -0.519 119.299 119.800 0.031 0.000 2.163 411 Q HA 0.038 4.379 4.340 0.002 0.000 0.198 411 Q C 1.976 177.948 176.000 -0.046 0.000 0.954 411 Q CA 0.825 56.615 55.803 -0.021 0.000 0.851 411 Q CB 0.179 28.844 28.738 -0.122 0.000 0.928 411 Q HN 0.503 nan 8.270 nan 0.000 0.459 412 A N -0.016 122.765 122.820 -0.066 0.000 2.267 412 A HA 0.038 4.359 4.320 0.002 0.000 0.213 412 A C 1.658 179.077 177.584 -0.275 0.000 1.192 412 A CA -0.051 51.879 52.037 -0.179 0.000 0.851 412 A CB -0.018 18.806 19.000 -0.292 0.000 0.881 412 A HN 0.368 nan 8.150 nan 0.000 0.494 413 L N 0.798 121.865 121.223 -0.259 0.000 2.046 413 L HA -0.006 4.335 4.340 0.002 0.000 0.208 413 L C -0.859 175.889 176.870 -0.204 0.000 1.077 413 L CA 2.193 56.860 54.840 -0.289 0.000 0.747 413 L CB -1.157 40.647 42.059 -0.425 0.000 0.896 413 L HN 0.126 nan 8.230 nan 0.000 0.432 414 P HA -0.157 nan 4.420 nan 0.000 0.215 414 P C 1.779 179.020 177.300 -0.099 0.000 1.157 414 P CA 2.169 65.215 63.100 -0.091 0.000 0.874 414 P CB -0.128 31.534 31.700 -0.063 0.000 0.790 415 S N -0.872 114.759 115.700 -0.116 0.000 2.382 415 S HA -0.117 4.354 4.470 0.002 0.000 0.228 415 S C 1.976 176.502 174.600 -0.123 0.000 1.027 415 S CA 1.133 59.267 58.200 -0.110 0.000 0.991 415 S CB -1.206 61.924 63.200 -0.118 0.000 0.823 415 S HN 0.122 nan 8.310 nan 0.000 0.469 416 I N 1.394 121.859 120.570 -0.174 0.000 2.193 416 I HA -0.101 4.070 4.170 0.002 0.000 0.240 416 I C 2.210 178.260 176.117 -0.112 0.000 1.084 416 I CA 0.915 62.114 61.300 -0.167 0.000 1.365 416 I CB -0.427 37.419 38.000 -0.257 0.000 1.064 416 I HN 0.195 nan 8.210 nan 0.000 0.410 417 L N 0.760 121.912 121.223 -0.118 0.000 2.043 417 L HA -0.280 4.061 4.340 0.002 0.000 0.212 417 L C 2.340 179.171 176.870 -0.065 0.000 1.075 417 L CA 1.633 56.420 54.840 -0.089 0.000 0.752 417 L CB -0.857 41.147 42.059 -0.093 0.000 0.891 417 L HN 0.369 nan 8.230 nan 0.000 0.432 418 N N 0.578 119.239 118.700 -0.064 0.000 2.205 418 N HA -0.191 4.550 4.740 0.002 0.000 0.186 418 N C 1.662 177.149 175.510 -0.037 0.000 1.015 418 N CA 1.194 54.215 53.050 -0.048 0.000 0.862 418 N CB -0.202 38.255 38.487 -0.049 0.000 0.986 418 N HN 0.283 nan 8.380 nan 0.000 0.429 419 L N -0.267 120.934 121.223 -0.037 0.000 2.622 419 L HA 0.009 4.351 4.340 0.002 0.000 0.233 419 L C 1.590 178.454 176.870 -0.010 0.000 1.156 419 L CA 0.115 54.944 54.840 -0.019 0.000 0.866 419 L CB -0.277 41.775 42.059 -0.011 0.000 0.980 419 L HN 0.259 nan 8.230 nan 0.000 0.448 420 M N -0.474 119.116 119.600 -0.017 0.000 2.460 420 M HA -0.081 4.400 4.480 0.002 0.000 0.263 420 M C 1.195 177.487 176.300 -0.012 0.000 1.071 420 M CA 1.117 56.410 55.300 -0.012 0.000 1.096 420 M CB -0.811 31.778 32.600 -0.018 0.000 1.408 420 M HN 0.298 nan 8.290 nan 0.000 0.463 421 N N 0.375 119.066 118.700 -0.015 0.000 2.336 421 N HA 0.014 4.755 4.740 0.002 0.000 0.189 421 N C -0.107 175.396 175.510 -0.012 0.000 1.113 421 N CA 0.103 53.144 53.050 -0.014 0.000 0.858 421 N CB -0.046 38.432 38.487 -0.016 0.000 0.970 421 N HN 0.370 nan 8.380 nan 0.000 0.471 422 D N 0.649 121.043 120.400 -0.010 0.000 2.399 422 D HA 0.029 4.670 4.640 0.002 0.000 0.241 422 D C 1.273 177.562 176.300 -0.018 0.000 1.133 422 D CA -0.054 53.942 54.000 -0.006 0.000 0.890 422 D CB 1.001 41.804 40.800 0.005 0.000 1.201 422 D HN -0.121 nan 8.370 nan 0.000 0.432 423 Q N 0.716 120.505 119.800 -0.017 0.000 2.167 423 Q HA -0.077 4.264 4.340 0.002 0.000 0.202 423 Q C 0.449 176.403 176.000 -0.076 0.000 0.970 423 Q CA 0.634 56.416 55.803 -0.035 0.000 0.855 423 Q CB -0.198 28.526 28.738 -0.024 0.000 0.911 423 Q HN 0.318 nan 8.270 nan 0.000 0.438 424 S N 0.817 116.470 115.700 -0.078 0.000 2.499 424 S HA 0.103 4.574 4.470 0.002 0.000 0.275 424 S C 1.111 175.600 174.600 -0.185 0.000 1.257 424 S CA -0.477 57.616 58.200 -0.178 0.000 1.050 424 S CB 0.552 63.682 63.200 -0.118 0.000 0.937 424 S HN 0.220 nan 8.310 nan 0.000 0.490 425 L N 6.057 127.114 121.223 -0.278 0.000 2.012 425 L HA -0.086 4.256 4.340 0.002 0.000 0.210 425 L C 2.153 178.872 176.870 -0.253 0.000 1.073 425 L CA 2.064 56.735 54.840 -0.283 0.000 0.748 425 L CB -1.107 40.703 42.059 -0.414 0.000 0.891 425 L HN 0.759 nan 8.230 nan 0.000 0.431 426 Q N -0.760 118.853 119.800 -0.312 0.000 2.096 426 Q HA -0.163 4.179 4.340 0.002 0.000 0.204 426 Q C 2.217 178.201 176.000 -0.026 0.000 0.982 426 Q CA 2.191 57.883 55.803 -0.185 0.000 0.850 426 Q CB -0.663 27.954 28.738 -0.201 0.000 0.901 426 Q HN 0.465 nan 8.270 nan 0.000 0.422 427 V N 0.833 120.758 119.914 0.018 0.000 2.343 427 V HA -0.299 3.822 4.120 0.002 0.000 0.247 427 V C 1.965 178.084 176.094 0.043 0.000 1.051 427 V CA 1.961 64.306 62.300 0.075 0.000 1.036 427 V CB -0.429 31.447 31.823 0.089 0.000 0.654 427 V HN 0.344 nan 8.190 nan 0.000 0.451 428 K N -0.253 120.146 120.400 -0.002 0.000 2.062 428 K HA -0.193 4.128 4.320 0.002 0.000 0.205 428 K C 2.245 178.865 176.600 0.033 0.000 1.051 428 K CA 1.479 57.771 56.287 0.008 0.000 0.941 428 K CB -0.208 32.283 32.500 -0.015 0.000 0.719 428 K HN 0.556 nan 8.250 nan 0.000 0.440 429 E N 0.631 120.831 120.200 0.001 0.000 2.049 429 E HA -0.211 4.141 4.350 0.002 0.000 0.198 429 E C 1.564 178.231 176.600 0.111 0.000 1.007 429 E CA 1.881 58.294 56.400 0.022 0.000 0.809 429 E CB 0.060 29.718 29.700 -0.071 0.000 0.749 429 E HN 0.184 nan 8.360 nan 0.000 0.450 430 T N -0.001 114.619 114.554 0.109 0.000 2.857 430 T HA -0.086 4.265 4.350 0.002 0.000 0.266 430 T C 1.850 176.754 174.700 0.341 0.000 1.048 430 T CA 1.485 63.722 62.100 0.229 0.000 1.139 430 T CB -0.371 68.590 68.868 0.155 0.000 0.874 430 T HN 0.244 nan 8.240 nan 0.000 0.455 431 T N 2.228 116.901 114.554 0.198 0.000 2.684 431 T HA -0.080 4.272 4.350 0.002 0.000 0.267 431 T C 2.430 177.218 174.700 0.146 0.000 1.036 431 T CA 1.245 63.431 62.100 0.143 0.000 1.148 431 T CB -0.600 68.308 68.868 0.067 0.000 0.863 431 T HN 0.438 nan 8.240 nan 0.000 0.436 432 A N 0.700 123.616 122.820 0.160 0.000 1.883 432 A HA -0.147 4.175 4.320 0.002 0.000 0.217 432 A C 2.069 179.811 177.584 0.263 0.000 1.186 432 A CA 1.837 53.970 52.037 0.160 0.000 0.624 432 A CB -1.305 17.792 19.000 0.162 0.000 0.822 432 A HN 0.729 nan 8.150 nan 0.000 0.444 433 W N -0.057 121.363 121.300 0.201 0.000 2.338 433 W HA -0.255 4.406 4.660 0.002 0.000 0.304 433 W C 2.426 179.139 176.519 0.322 0.000 1.212 433 W CA 1.595 59.160 57.345 0.366 0.000 1.264 433 W CB -0.776 28.812 29.460 0.215 0.000 1.142 433 W HN 0.389 nan 8.180 nan 0.000 0.512 434 C N 0.693 120.062 119.300 0.115 0.000 2.425 434 C HA -0.190 4.271 4.460 0.002 0.000 0.277 434 C C 2.620 177.520 174.990 -0.150 0.000 1.280 434 C CA 1.437 60.377 59.018 -0.131 0.000 1.744 434 C CB -1.595 26.207 27.740 0.103 0.000 1.989 434 C HN 0.414 nan 8.230 nan 0.000 0.491 435 I N 1.326 121.839 120.570 -0.096 0.000 2.226 435 I HA -0.059 4.112 4.170 0.002 0.000 0.245 435 I C 2.787 178.756 176.117 -0.247 0.000 1.100 435 I CA 2.023 63.236 61.300 -0.144 0.000 1.374 435 I CB -2.075 35.855 38.000 -0.118 0.000 1.057 435 I HN 0.488 nan 8.210 nan 0.000 0.413 436 G N 0.935 109.528 108.800 -0.346 0.000 2.408 436 G HA2 -0.201 3.760 3.960 0.002 0.000 0.217 436 G HA3 -0.201 3.760 3.960 0.002 0.000 0.217 436 G C 1.794 176.353 174.900 -0.568 0.000 1.150 436 G CA 0.122 44.813 45.100 -0.682 0.000 0.776 436 G HN 0.202 nan 8.290 nan 0.000 0.542 437 R N 0.225 120.464 120.500 -0.434 0.000 2.096 437 R HA 0.033 4.374 4.340 0.002 0.000 0.235 437 R C 2.537 178.712 176.300 -0.208 0.000 1.127 437 R CA 0.740 56.648 56.100 -0.319 0.000 0.968 437 R CB -0.722 29.275 30.300 -0.505 0.000 0.861 437 R HN 0.464 nan 8.270 nan 0.000 0.440 438 I N 0.519 120.981 120.570 -0.180 0.000 2.202 438 I HA -0.224 3.947 4.170 0.002 0.000 0.242 438 I C 2.600 178.636 176.117 -0.135 0.000 1.091 438 I CA 1.326 62.563 61.300 -0.104 0.000 1.368 438 I CB -0.498 37.463 38.000 -0.065 0.000 1.058 438 I HN 0.065 nan 8.210 nan 0.000 0.410 439 A N 0.464 123.163 122.820 -0.202 0.000 1.858 439 A HA -0.309 4.013 4.320 0.002 0.000 0.216 439 A C 2.035 179.505 177.584 -0.190 0.000 1.190 439 A CA 2.422 54.333 52.037 -0.209 0.000 0.617 439 A CB -0.856 17.973 19.000 -0.285 0.000 0.827 439 A HN 0.418 nan 8.150 nan 0.000 0.443 440 D N -1.040 119.221 120.400 -0.231 0.000 2.218 440 D HA -0.051 4.590 4.640 0.002 0.000 0.204 440 D C 1.948 178.198 176.300 -0.083 0.000 0.976 440 D CA 1.579 55.480 54.000 -0.164 0.000 0.853 440 D CB 0.107 40.813 40.800 -0.157 0.000 0.939 440 D HN 0.386 nan 8.370 nan 0.000 0.481 441 S N -1.381 114.272 115.700 -0.077 0.000 2.566 441 S HA 0.101 4.572 4.470 0.002 0.000 0.234 441 S C 0.605 175.187 174.600 -0.030 0.000 1.075 441 S CA 0.241 58.418 58.200 -0.039 0.000 0.926 441 S CB 1.326 64.506 63.200 -0.034 0.000 0.811 441 S HN 0.211 nan 8.310 nan 0.000 0.518 442 V N -0.132 119.759 119.914 -0.039 0.000 2.462 442 V HA 0.790 4.911 4.120 0.002 0.000 0.257 442 V C 0.668 176.744 176.094 -0.032 0.000 0.944 442 V CA -0.544 61.745 62.300 -0.020 0.000 0.903 442 V CB -0.044 31.781 31.823 0.004 0.000 1.128 442 V HN 0.218 nan 8.190 nan 0.000 0.486 443 A N 2.873 125.667 122.820 -0.044 0.000 1.877 443 A HA -0.124 4.197 4.320 0.002 0.000 0.216 443 A C 1.866 179.437 177.584 -0.022 0.000 1.186 443 A CA 2.061 54.066 52.037 -0.053 0.000 0.620 443 A CB -0.276 18.686 19.000 -0.063 0.000 0.822 443 A HN 0.987 nan 8.150 nan 0.000 0.443 444 E N 1.283 121.480 120.200 -0.004 0.000 2.515 444 E HA -0.070 4.281 4.350 0.002 0.000 0.201 444 E C 1.386 178.010 176.600 0.040 0.000 1.071 444 E CA 1.048 57.458 56.400 0.018 0.000 0.880 444 E CB -1.122 28.589 29.700 0.018 0.000 0.828 444 E HN 0.646 nan 8.360 nan 0.000 0.540 445 S N 0.188 115.910 115.700 0.037 0.000 2.562 445 S HA 0.082 4.553 4.470 0.002 0.000 0.221 445 S C 0.710 175.361 174.600 0.086 0.000 0.975 445 S CA -0.307 57.935 58.200 0.069 0.000 0.918 445 S CB -0.147 63.085 63.200 0.055 0.000 0.772 445 S HN 0.139 nan 8.310 nan 0.000 0.531 446 I N 4.724 125.326 120.570 0.053 0.000 2.310 446 I HA 0.252 4.423 4.170 0.002 0.000 0.287 446 I C 0.051 176.242 176.117 0.122 0.000 1.073 446 I CA -1.289 60.054 61.300 0.071 0.000 1.216 446 I CB -0.056 37.930 38.000 -0.022 0.000 1.415 446 I HN 0.354 nan 8.210 nan 0.000 0.480 447 D N 7.646 128.166 120.400 0.199 0.000 2.424 447 D HA 0.073 4.714 4.640 0.002 0.000 0.244 447 D C -2.068 174.276 176.300 0.073 0.000 1.134 447 D CA -1.202 52.859 54.000 0.102 0.000 0.881 447 D CB 1.928 42.767 40.800 0.065 0.000 1.191 447 D HN 0.165 nan 8.370 nan 0.000 0.445 448 P HA -0.122 nan 4.420 nan 0.000 0.220 448 P C 0.999 178.364 177.300 0.107 0.000 1.148 448 P CA 1.305 64.464 63.100 0.097 0.000 0.803 448 P CB 0.256 32.010 31.700 0.090 0.000 0.782 449 Q N -1.658 118.174 119.800 0.054 0.000 2.398 449 Q HA 0.055 4.397 4.340 0.002 0.000 0.204 449 Q C 1.899 177.900 176.000 0.002 0.000 0.932 449 Q CA 0.831 56.656 55.803 0.038 0.000 0.916 449 Q CB 0.090 28.836 28.738 0.013 0.000 1.024 449 Q HN 0.282 nan 8.270 nan 0.000 0.504 450 Q N -2.007 117.760 119.800 -0.057 0.000 2.126 450 Q HA 0.159 4.501 4.340 0.002 0.000 0.233 450 Q C 0.486 176.357 176.000 -0.215 0.000 0.788 450 Q CA 0.129 55.838 55.803 -0.156 0.000 0.968 450 Q CB 0.686 29.273 28.738 -0.252 0.000 1.163 450 Q HN 0.469 nan 8.270 nan 0.000 0.471 451 H N -1.708 117.326 119.070 -0.060 0.000 2.348 451 H HA 0.073 4.630 4.556 0.002 0.000 0.233 451 H C 1.460 176.715 175.328 -0.122 0.000 0.889 451 H CA 0.098 56.086 56.048 -0.100 0.000 1.034 451 H CB 0.674 30.372 29.762 -0.107 0.000 1.393 451 H HN 0.050 nan 8.280 nan 0.000 0.422 452 L N 2.317 123.553 121.223 0.021 0.000 2.043 452 L HA -0.085 4.256 4.340 0.002 0.000 0.212 452 L C -1.117 175.537 176.870 -0.360 0.000 1.075 452 L CA 1.859 56.610 54.840 -0.149 0.000 0.752 452 L CB -0.790 41.223 42.059 -0.078 0.000 0.891 452 L HN 0.152 nan 8.230 nan 0.000 0.432 453 P HA -0.101 nan 4.420 nan 0.000 0.215 453 P C 1.653 178.843 177.300 -0.183 0.000 1.153 453 P CA 1.793 64.755 63.100 -0.230 0.000 0.853 453 P CB -0.408 31.322 31.700 0.049 0.000 0.788 454 G N -0.431 108.307 108.800 -0.105 0.000 2.432 454 G HA2 -0.209 3.752 3.960 0.002 0.000 0.219 454 G HA3 -0.209 3.752 3.960 0.002 0.000 0.219 454 G C 1.583 176.409 174.900 -0.124 0.000 1.135 454 G CA 0.666 45.714 45.100 -0.086 0.000 0.767 454 G HN 0.160 nan 8.290 nan 0.000 0.550 455 V N 0.446 120.261 119.914 -0.166 0.000 2.244 455 V HA -0.154 3.967 4.120 0.002 0.000 0.244 455 V C 2.984 178.954 176.094 -0.207 0.000 1.042 455 V CA 1.431 63.621 62.300 -0.183 0.000 1.006 455 V CB -0.557 31.143 31.823 -0.204 0.000 0.641 455 V HN 0.232 nan 8.190 nan 0.000 0.446 456 V N -0.122 119.609 119.914 -0.305 0.000 2.282 456 V HA -0.348 3.773 4.120 0.002 0.000 0.249 456 V C 2.549 178.535 176.094 -0.180 0.000 1.057 456 V CA 2.441 64.559 62.300 -0.303 0.000 1.032 456 V CB -0.743 30.763 31.823 -0.529 0.000 0.645 456 V HN 0.568 nan 8.190 nan 0.000 0.447 457 Q N 0.386 120.094 119.800 -0.153 0.000 2.096 457 Q HA -0.169 4.172 4.340 0.002 0.000 0.204 457 Q C 2.150 178.105 176.000 -0.074 0.000 0.982 457 Q CA 2.294 58.046 55.803 -0.086 0.000 0.850 457 Q CB -0.744 27.956 28.738 -0.063 0.000 0.901 457 Q HN 0.612 nan 8.270 nan 0.000 0.422 458 A N -0.618 122.151 122.820 -0.084 0.000 1.908 458 A HA -0.229 4.092 4.320 0.002 0.000 0.218 458 A C 2.476 180.026 177.584 -0.057 0.000 1.181 458 A CA 1.644 53.641 52.037 -0.066 0.000 0.627 458 A CB -1.195 17.760 19.000 -0.074 0.000 0.818 458 A HN 0.602 nan 8.150 nan 0.000 0.445 459 C N -0.659 118.595 119.300 -0.076 0.000 2.429 459 C HA -0.069 4.392 4.460 0.002 0.000 0.277 459 C C 2.621 177.583 174.990 -0.048 0.000 1.262 459 C CA 1.005 59.986 59.018 -0.062 0.000 1.733 459 C CB -1.540 26.145 27.740 -0.092 0.000 2.010 459 C HN 0.619 nan 8.230 nan 0.000 0.483 460 L N 0.330 121.519 121.223 -0.056 0.000 2.141 460 L HA -0.116 4.225 4.340 0.002 0.000 0.209 460 L C 2.590 179.442 176.870 -0.031 0.000 1.094 460 L CA 1.033 55.846 54.840 -0.044 0.000 0.763 460 L CB -0.640 41.394 42.059 -0.042 0.000 0.908 460 L HN 0.303 nan 8.230 nan 0.000 0.437 461 I N 0.498 121.051 120.570 -0.028 0.000 2.179 461 I HA -0.202 3.969 4.170 0.002 0.000 0.242 461 I C 2.646 178.758 176.117 -0.008 0.000 1.088 461 I CA 1.914 63.203 61.300 -0.018 0.000 1.357 461 I CB -1.691 36.297 38.000 -0.019 0.000 1.051 461 I HN 0.247 nan 8.210 nan 0.000 0.409 462 G N 0.660 109.456 108.800 -0.006 0.000 2.408 462 G HA2 -0.160 3.802 3.960 0.002 0.000 0.217 462 G HA3 -0.160 3.802 3.960 0.002 0.000 0.217 462 G C 1.843 176.753 174.900 0.018 0.000 1.150 462 G CA 0.162 45.270 45.100 0.013 0.000 0.776 462 G HN 0.305 nan 8.290 nan 0.000 0.542 463 L N -0.095 121.129 121.223 0.002 0.000 2.187 463 L HA -0.114 4.227 4.340 0.002 0.000 0.213 463 L C 2.883 179.751 176.870 -0.003 0.000 1.100 463 L CA 1.026 55.865 54.840 -0.002 0.000 0.765 463 L CB -0.196 41.848 42.059 -0.025 0.000 0.904 463 L HN 0.315 nan 8.230 nan 0.000 0.437 464 Q N -1.149 118.648 119.800 -0.005 0.000 2.403 464 Q HA 0.003 4.344 4.340 0.002 0.000 0.203 464 Q C 0.424 176.429 176.000 0.009 0.000 0.932 464 Q CA -0.018 55.782 55.803 -0.004 0.000 0.945 464 Q CB 0.369 29.101 28.738 -0.010 0.000 1.045 464 Q HN 0.446 nan 8.270 nan 0.000 0.511 465 D N -0.262 120.152 120.400 0.023 0.000 2.478 465 D HA -0.017 4.624 4.640 0.002 0.000 0.274 465 D C -0.137 176.206 176.300 0.072 0.000 1.234 465 D CA -0.362 53.665 54.000 0.045 0.000 1.069 465 D CB 0.629 41.457 40.800 0.046 0.000 1.113 465 D HN 0.077 nan 8.370 nan 0.000 0.571 466 H N 0.646 119.715 119.070 -0.002 0.000 3.115 466 H HA -0.044 4.513 4.556 0.002 0.000 0.324 466 H C -1.586 173.760 175.328 0.029 0.000 1.007 466 H CA -0.481 55.572 56.048 0.008 0.000 1.385 466 H CB 1.184 30.925 29.762 -0.035 0.000 1.351 466 H HN 0.158 nan 8.280 nan 0.000 0.592 467 P HA -0.148 nan 4.420 nan 0.000 0.218 467 P C 1.230 178.652 177.300 0.204 0.000 1.148 467 P CA 1.499 64.639 63.100 0.067 0.000 0.822 467 P CB 0.248 31.995 31.700 0.078 0.000 0.784 468 K N -0.365 120.220 120.400 0.309 0.000 2.063 468 K HA -0.089 4.232 4.320 0.002 0.000 0.208 468 K C 2.054 178.701 176.600 0.077 0.000 1.048 468 K CA 1.282 57.613 56.287 0.074 0.000 0.928 468 K CB -0.643 31.721 32.500 -0.226 0.000 0.713 468 K HN -0.033 nan 8.250 nan 0.000 0.442 469 V N 1.004 120.982 119.914 0.107 0.000 2.307 469 V HA -0.250 3.872 4.120 0.002 0.000 0.245 469 V C 2.276 178.430 176.094 0.100 0.000 1.045 469 V CA 2.021 64.370 62.300 0.082 0.000 1.024 469 V CB -0.631 31.231 31.823 0.066 0.000 0.651 469 V HN 0.381 nan 8.190 nan 0.000 0.449 470 A N -0.493 122.388 122.820 0.101 0.000 1.933 470 A HA -0.243 4.078 4.320 0.002 0.000 0.218 470 A C 2.391 180.040 177.584 0.107 0.000 1.175 470 A CA 2.508 54.596 52.037 0.084 0.000 0.628 470 A CB -0.981 18.059 19.000 0.066 0.000 0.814 470 A HN 0.493 nan 8.150 nan 0.000 0.444 471 T N 0.692 115.323 114.554 0.129 0.000 2.684 471 T HA -0.152 4.200 4.350 0.002 0.000 0.267 471 T C 1.843 176.661 174.700 0.197 0.000 1.036 471 T CA 1.740 63.931 62.100 0.150 0.000 1.148 471 T CB -0.419 68.535 68.868 0.144 0.000 0.863 471 T HN 0.530 nan 8.240 nan 0.000 0.436 472 N N 0.445 119.269 118.700 0.206 0.000 2.244 472 N HA -0.037 4.704 4.740 0.002 0.000 0.183 472 N C 1.973 177.680 175.510 0.329 0.000 1.016 472 N CA 0.690 53.940 53.050 0.333 0.000 0.866 472 N CB -0.710 37.967 38.487 0.315 0.000 0.980 472 N HN 0.436 nan 8.380 nan 0.000 0.430 473 C N -0.087 119.322 119.300 0.181 0.000 2.440 473 C HA 0.032 4.493 4.460 0.002 0.000 0.278 473 C C 2.817 177.848 174.990 0.068 0.000 1.295 473 C CA 0.424 59.496 59.018 0.090 0.000 1.738 473 C CB -1.025 26.740 27.740 0.042 0.000 1.987 473 C HN 0.394 nan 8.230 nan 0.000 0.492 474 S N -0.109 115.657 115.700 0.109 0.000 2.348 474 S HA -0.239 4.232 4.470 0.002 0.000 0.221 474 S C 1.441 176.115 174.600 0.125 0.000 1.033 474 S CA 1.709 59.963 58.200 0.089 0.000 1.010 474 S CB -0.552 62.715 63.200 0.111 0.000 0.891 474 S HN 0.830 nan 8.310 nan 0.000 0.442 475 W N 2.593 123.910 121.300 0.028 0.000 2.335 475 W HA -0.192 4.469 4.660 0.002 0.000 0.311 475 W C 2.245 178.763 176.519 -0.001 0.000 1.213 475 W CA 1.915 59.279 57.345 0.033 0.000 1.274 475 W CB -1.196 28.308 29.460 0.074 0.000 1.148 475 W HN 0.149 nan 8.180 nan 0.000 0.498 476 T N 1.496 115.900 114.554 -0.249 0.000 2.684 476 T HA -0.247 4.105 4.350 0.002 0.000 0.267 476 T C 1.863 176.337 174.700 -0.376 0.000 1.036 476 T CA 2.392 64.186 62.100 -0.510 0.000 1.148 476 T CB -0.498 68.213 68.868 -0.261 0.000 0.863 476 T HN 0.184 nan 8.240 nan 0.000 0.436 477 I N 0.524 120.960 120.570 -0.223 0.000 2.208 477 I HA -0.167 4.004 4.170 0.002 0.000 0.245 477 I C 2.190 178.170 176.117 -0.228 0.000 1.097 477 I CA 1.214 62.391 61.300 -0.205 0.000 1.363 477 I CB -0.428 37.481 38.000 -0.151 0.000 1.051 477 I HN 0.241 nan 8.210 nan 0.000 0.413 478 I N 0.783 121.232 120.570 -0.202 0.000 2.118 478 I HA -0.353 3.818 4.170 0.002 0.000 0.241 478 I C 2.280 178.231 176.117 -0.277 0.000 1.070 478 I CA 1.508 62.695 61.300 -0.188 0.000 1.327 478 I CB -0.586 37.370 38.000 -0.073 0.000 1.034 478 I HN 0.325 nan 8.210 nan 0.000 0.405 479 N N 0.888 119.353 118.700 -0.391 0.000 2.069 479 N HA -0.153 4.589 4.740 0.002 0.000 0.191 479 N C 1.965 177.290 175.510 -0.309 0.000 1.031 479 N CA 1.249 54.067 53.050 -0.387 0.000 0.852 479 N CB -0.604 37.538 38.487 -0.576 0.000 1.018 479 N HN 0.294 nan 8.380 nan 0.000 0.423 480 L N 0.601 121.640 121.223 -0.306 0.000 1.978 480 L HA -0.209 4.133 4.340 0.002 0.000 0.218 480 L C 2.166 178.892 176.870 -0.240 0.000 1.075 480 L CA 1.298 55.990 54.840 -0.246 0.000 0.767 480 L CB -0.586 41.334 42.059 -0.232 0.000 0.890 480 L HN 0.021 nan 8.230 nan 0.000 0.434 481 V N -0.615 119.133 119.914 -0.277 0.000 2.626 481 V HA -0.239 3.883 4.120 0.002 0.000 0.252 481 V C 2.275 178.073 176.094 -0.494 0.000 1.067 481 V CA 1.582 63.690 62.300 -0.321 0.000 1.081 481 V CB -0.478 31.163 31.823 -0.304 0.000 0.686 481 V HN 0.464 nan 8.190 nan 0.000 0.468 482 E N -0.543 119.366 120.200 -0.484 0.000 2.033 482 E HA -0.165 4.186 4.350 0.002 0.000 0.189 482 E C 2.332 178.816 176.600 -0.193 0.000 0.979 482 E CA 0.839 56.962 56.400 -0.461 0.000 0.802 482 E CB -0.122 29.419 29.700 -0.266 0.000 0.763 482 E HN 0.503 nan 8.360 nan 0.000 0.449 483 Q N 0.195 119.902 119.800 -0.155 0.000 2.311 483 Q HA -0.028 4.313 4.340 0.002 0.000 0.203 483 Q C 2.202 178.161 176.000 -0.068 0.000 0.954 483 Q CA 0.628 56.380 55.803 -0.085 0.000 0.885 483 Q CB 0.312 28.995 28.738 -0.091 0.000 0.963 483 Q HN 0.330 nan 8.270 nan 0.000 0.471 484 L N -0.787 120.374 121.223 -0.103 0.000 2.145 484 L HA 0.033 4.374 4.340 0.002 0.000 0.201 484 L C 2.312 179.153 176.870 -0.049 0.000 1.075 484 L CA 0.736 55.530 54.840 -0.078 0.000 0.773 484 L CB -0.445 41.549 42.059 -0.108 0.000 0.936 484 L HN 0.025 nan 8.230 nan 0.000 0.451 485 A N 0.905 123.690 122.820 -0.057 0.000 2.070 485 A HA -0.198 4.123 4.320 0.002 0.000 0.220 485 A C 1.956 179.629 177.584 0.149 0.000 1.159 485 A CA 1.622 53.691 52.037 0.052 0.000 0.656 485 A CB -0.435 18.671 19.000 0.176 0.000 0.800 485 A HN 0.585 nan 8.150 nan 0.000 0.453 486 E N 0.536 120.808 120.200 0.119 0.000 2.409 486 E HA 0.241 4.592 4.350 0.002 0.000 0.198 486 E C 0.740 177.385 176.600 0.076 0.000 1.024 486 E CA 0.694 57.161 56.400 0.112 0.000 0.861 486 E CB -0.655 29.104 29.700 0.098 0.000 0.788 486 E HN 0.458 nan 8.360 nan 0.000 0.521 487 A N 0.686 123.541 122.820 0.059 0.000 2.366 487 A HA 0.336 4.658 4.320 0.002 0.000 0.272 487 A C 1.068 178.691 177.584 0.066 0.000 1.135 487 A CA -0.091 51.976 52.037 0.049 0.000 0.804 487 A CB 0.546 19.565 19.000 0.032 0.000 1.064 487 A HN 0.168 nan 8.150 nan 0.000 0.499 488 T N 2.468 117.057 114.554 0.058 0.000 2.708 488 T HA -0.029 4.322 4.350 0.002 0.000 0.266 488 T C -1.017 173.725 174.700 0.071 0.000 1.037 488 T CA 1.663 63.801 62.100 0.062 0.000 1.146 488 T CB -1.018 67.875 68.868 0.042 0.000 0.865 488 T HN 0.703 nan 8.240 nan 0.000 0.435 489 P HA 0.410 nan 4.420 nan 0.000 0.232 489 P C -0.912 176.431 177.300 0.072 0.000 1.814 489 P CA -0.075 63.062 63.100 0.063 0.000 1.085 489 P CB 0.366 32.092 31.700 0.042 0.000 1.901 490 S N 3.780 119.546 115.700 0.111 0.000 2.448 490 S HA 0.274 4.745 4.470 0.002 0.000 0.279 490 S C -1.213 173.417 174.600 0.050 0.000 1.195 490 S CA -1.139 57.099 58.200 0.064 0.000 1.051 490 S CB 0.339 63.575 63.200 0.061 0.000 0.948 490 S HN 0.235 nan 8.310 nan 0.000 0.493 491 P HA 0.158 nan 4.420 nan 0.000 0.262 491 P C 1.057 178.415 177.300 0.096 0.000 1.304 491 P CA -0.138 62.998 63.100 0.059 0.000 0.859 491 P CB 0.105 31.861 31.700 0.094 0.000 1.310 492 I N -0.540 120.010 120.570 -0.032 0.000 2.439 492 I HA -0.175 3.997 4.170 0.002 0.000 0.251 492 I C 1.842 178.042 176.117 0.139 0.000 1.139 492 I CA 1.182 62.511 61.300 0.049 0.000 1.438 492 I CB -0.730 37.194 38.000 -0.125 0.000 1.085 492 I HN -0.219 nan 8.210 nan 0.000 0.427 493 Y N 1.100 121.520 120.300 0.200 0.000 2.207 493 Y HA -0.242 4.309 4.550 0.002 0.000 0.287 493 Y C 2.385 178.312 175.900 0.045 0.000 1.156 493 Y CA 1.258 59.401 58.100 0.071 0.000 1.182 493 Y CB -1.568 36.815 38.460 -0.129 0.000 0.979 493 Y HN 0.258 nan 8.280 nan 0.000 0.521 494 N N -0.101 118.631 118.700 0.055 0.000 2.111 494 N HA -0.235 4.507 4.740 0.002 0.000 0.197 494 N C 1.049 176.358 175.510 -0.336 0.000 1.011 494 N CA 1.854 54.751 53.050 -0.254 0.000 0.880 494 N CB -0.835 37.316 38.487 -0.559 0.000 1.031 494 N HN 0.380 nan 8.380 nan 0.000 0.444 495 F N -1.700 118.320 119.950 0.118 0.000 2.639 495 F HA 0.259 4.787 4.527 0.002 0.000 0.302 495 F C 1.392 177.259 175.800 0.113 0.000 1.097 495 F CA -0.708 57.340 58.000 0.079 0.000 1.294 495 F CB -0.248 38.761 39.000 0.016 0.000 1.027 495 F HN -0.105 nan 8.300 nan 0.000 0.550 496 Y N 1.678 122.067 120.300 0.149 0.000 2.128 496 Y HA -0.140 4.411 4.550 0.002 0.000 0.284 496 Y C -0.378 175.572 175.900 0.083 0.000 1.154 496 Y CA 1.698 59.871 58.100 0.123 0.000 1.149 496 Y CB -1.762 36.792 38.460 0.157 0.000 0.976 496 Y HN -0.002 nan 8.280 nan 0.000 0.505 497 P HA -0.199 nan 4.420 nan 0.000 0.215 497 P C 1.429 178.769 177.300 0.067 0.000 1.157 497 P CA 2.444 65.613 63.100 0.115 0.000 0.868 497 P CB -0.225 31.527 31.700 0.086 0.000 0.788 498 A N -0.862 122.011 122.820 0.088 0.000 1.933 498 A HA -0.160 4.161 4.320 0.002 0.000 0.218 498 A C 2.239 179.832 177.584 0.015 0.000 1.175 498 A CA 1.488 53.563 52.037 0.064 0.000 0.628 498 A CB -1.628 17.446 19.000 0.124 0.000 0.814 498 A HN 0.105 nan 8.150 nan 0.000 0.444 499 L N -0.914 120.311 121.223 0.003 0.000 2.023 499 L HA -0.105 4.236 4.340 0.002 0.000 0.205 499 L C 2.491 179.298 176.870 -0.105 0.000 1.073 499 L CA 0.941 55.735 54.840 -0.077 0.000 0.745 499 L CB -0.628 41.345 42.059 -0.143 0.000 0.900 499 L HN 0.206 nan 8.230 nan 0.000 0.435 500 V N -0.094 119.757 119.914 -0.105 0.000 2.469 500 V HA -0.323 3.799 4.120 0.002 0.000 0.251 500 V C 2.246 178.280 176.094 -0.100 0.000 1.064 500 V CA 1.888 64.133 62.300 -0.092 0.000 1.066 500 V CB -0.529 31.282 31.823 -0.020 0.000 0.667 500 V HN 0.512 nan 8.190 nan 0.000 0.461 501 D N 0.423 120.778 120.400 -0.075 0.000 2.097 501 D HA -0.105 4.536 4.640 0.002 0.000 0.197 501 D C 2.190 178.417 176.300 -0.122 0.000 0.984 501 D CA 1.619 55.564 54.000 -0.093 0.000 0.826 501 D CB -0.084 40.686 40.800 -0.049 0.000 0.973 501 D HN 0.453 nan 8.370 nan 0.000 0.460 502 G N 0.554 109.296 108.800 -0.096 0.000 2.448 502 G HA2 -0.118 3.843 3.960 0.002 0.000 0.218 502 G HA3 -0.118 3.843 3.960 0.002 0.000 0.218 502 G C 1.943 176.771 174.900 -0.119 0.000 1.135 502 G CA 0.051 45.094 45.100 -0.095 0.000 0.784 502 G HN 0.263 nan 8.290 nan 0.000 0.543 503 L N -0.060 121.080 121.223 -0.138 0.000 2.109 503 L HA 0.089 4.430 4.340 0.002 0.000 0.207 503 L C 2.749 179.477 176.870 -0.238 0.000 1.086 503 L CA 0.496 55.244 54.840 -0.154 0.000 0.760 503 L CB -0.245 41.732 42.059 -0.138 0.000 0.910 503 L HN 0.185 nan 8.230 nan 0.000 0.437 504 I N -0.219 120.159 120.570 -0.321 0.000 2.252 504 I HA -0.193 3.978 4.170 0.002 0.000 0.245 504 I C 2.627 178.455 176.117 -0.482 0.000 1.102 504 I CA 1.328 62.271 61.300 -0.595 0.000 1.385 504 I CB -0.786 36.740 38.000 -0.789 0.000 1.064 504 I HN 0.253 nan 8.210 nan 0.000 0.414 505 G N 0.624 109.248 108.800 -0.294 0.000 2.469 505 G HA2 -0.288 3.673 3.960 0.002 0.000 0.219 505 G HA3 -0.288 3.673 3.960 0.002 0.000 0.219 505 G C 1.832 176.660 174.900 -0.119 0.000 1.150 505 G CA 0.939 45.933 45.100 -0.177 0.000 0.763 505 G HN 0.503 nan 8.290 nan 0.000 0.561 506 A N 0.978 123.727 122.820 -0.119 0.000 1.929 506 A HA 0.390 4.711 4.320 0.002 0.000 0.216 506 A C 2.790 180.336 177.584 -0.064 0.000 1.176 506 A CA 1.958 53.955 52.037 -0.067 0.000 0.628 506 A CB -0.674 18.294 19.000 -0.054 0.000 0.816 506 A HN 0.789 nan 8.150 nan 0.000 0.444 507 A N 0.031 122.748 122.820 -0.172 0.000 1.972 507 A HA -0.152 4.169 4.320 0.002 0.000 0.219 507 A C 1.743 179.394 177.584 0.111 0.000 1.169 507 A CA 1.503 53.399 52.037 -0.234 0.000 0.635 507 A CB -0.516 18.123 19.000 -0.602 0.000 0.810 507 A HN 0.501 nan 8.150 nan 0.000 0.446 508 N N -0.299 118.456 118.700 0.092 0.000 2.521 508 N HA -0.029 4.713 4.740 0.002 0.000 0.188 508 N C 0.725 176.303 175.510 0.113 0.000 1.146 508 N CA 0.061 53.216 53.050 0.175 0.000 0.893 508 N CB -0.307 38.239 38.487 0.098 0.000 0.975 508 N HN 0.548 nan 8.380 nan 0.000 0.451 509 R N 0.661 121.212 120.500 0.085 0.000 2.758 509 R HA -0.067 4.274 4.340 0.002 0.000 0.263 509 R C 1.257 177.602 176.300 0.075 0.000 1.010 509 R CA -0.088 56.050 56.100 0.063 0.000 1.114 509 R CB 0.492 30.825 30.300 0.055 0.000 0.985 509 R HN -0.095 nan 8.270 nan 0.000 0.439 510 I N 1.451 122.048 120.570 0.045 0.000 2.208 510 I HA -0.249 3.922 4.170 0.002 0.000 0.245 510 I C 0.670 176.808 176.117 0.035 0.000 1.097 510 I CA 1.645 62.967 61.300 0.036 0.000 1.363 510 I CB -0.506 37.504 38.000 0.015 0.000 1.051 510 I HN 0.751 nan 8.210 nan 0.000 0.413 511 D N -2.164 118.252 120.400 0.027 0.000 2.732 511 D HA 0.182 4.823 4.640 0.002 0.000 0.292 511 D C -0.242 176.077 176.300 0.032 0.000 1.135 511 D CA -0.829 53.180 54.000 0.016 0.000 1.071 511 D CB 0.167 40.954 40.800 -0.021 0.000 1.457 511 D HN -0.147 nan 8.370 nan 0.000 0.547 512 N N -0.448 118.262 118.700 0.016 0.000 2.558 512 N HA 0.078 4.819 4.740 0.002 0.000 0.281 512 N C -0.889 174.608 175.510 -0.022 0.000 1.219 512 N CA -0.261 52.808 53.050 0.031 0.000 0.942 512 N CB -0.040 38.472 38.487 0.041 0.000 1.241 512 N HN 0.367 nan 8.380 nan 0.000 0.511 513 E N 0.253 120.411 120.200 -0.070 0.000 2.376 513 E HA -0.024 4.327 4.350 0.002 0.000 0.266 513 E C -0.308 176.241 176.600 -0.085 0.000 1.009 513 E CA 0.007 56.275 56.400 -0.221 0.000 0.902 513 E CB 0.263 29.791 29.700 -0.287 0.000 0.972 513 E HN 0.314 nan 8.360 nan 0.000 0.439 514 F N 2.570 122.534 119.950 0.023 0.000 3.091 514 F HA -0.298 4.230 4.527 0.002 0.000 0.288 514 F C 0.736 176.563 175.800 0.045 0.000 0.907 514 F CA 0.678 58.702 58.000 0.040 0.000 1.028 514 F CB -2.257 36.783 39.000 0.067 0.000 1.022 514 F HN 0.629 nan 8.300 nan 0.000 0.665 515 N N -2.369 116.425 118.700 0.156 0.000 2.661 515 N HA -0.290 4.451 4.740 0.002 0.000 0.249 515 N C 1.355 176.955 175.510 0.149 0.000 1.142 515 N CA 1.019 54.148 53.050 0.132 0.000 0.727 515 N CB -1.054 37.505 38.487 0.120 0.000 1.099 515 N HN 0.724 nan 8.380 nan 0.000 0.558 516 A N 0.086 122.997 122.820 0.153 0.000 1.930 516 A HA -0.117 4.204 4.320 0.002 0.000 0.217 516 A C 2.241 179.903 177.584 0.130 0.000 1.175 516 A CA 1.824 53.941 52.037 0.134 0.000 0.627 516 A CB -0.210 18.860 19.000 0.116 0.000 0.815 516 A HN 0.431 nan 8.150 nan 0.000 0.443 517 R N -0.538 120.055 120.500 0.154 0.000 2.055 517 R HA 0.024 4.365 4.340 0.002 0.000 0.228 517 R C 2.385 178.898 176.300 0.354 0.000 1.143 517 R CA 1.355 57.596 56.100 0.234 0.000 0.945 517 R CB -0.457 29.999 30.300 0.260 0.000 0.841 517 R HN 0.378 nan 8.270 nan 0.000 0.429 518 A N 0.364 123.354 122.820 0.282 0.000 1.908 518 A HA -0.182 4.139 4.320 0.002 0.000 0.218 518 A C 2.170 179.906 177.584 0.253 0.000 1.181 518 A CA 2.092 54.291 52.037 0.270 0.000 0.627 518 A CB -0.735 18.355 19.000 0.151 0.000 0.818 518 A HN 0.480 nan 8.150 nan 0.000 0.445 519 S N 0.185 116.001 115.700 0.194 0.000 2.359 519 S HA -0.184 4.287 4.470 0.002 0.000 0.223 519 S C 2.321 177.017 174.600 0.159 0.000 1.039 519 S CA 1.586 59.890 58.200 0.173 0.000 1.042 519 S CB -0.702 62.592 63.200 0.157 0.000 0.915 519 S HN 0.878 nan 8.310 nan 0.000 0.439 520 A N 0.946 123.838 122.820 0.120 0.000 1.877 520 A HA -0.047 4.274 4.320 0.002 0.000 0.216 520 A C 1.918 179.508 177.584 0.010 0.000 1.186 520 A CA 1.478 53.523 52.037 0.013 0.000 0.620 520 A CB -0.995 17.949 19.000 -0.093 0.000 0.822 520 A HN 0.440 nan 8.150 nan 0.000 0.443 521 F N 0.922 120.938 119.950 0.110 0.000 2.171 521 F HA -0.164 4.365 4.527 0.002 0.000 0.300 521 F C 2.831 178.694 175.800 0.104 0.000 1.090 521 F CA 1.699 59.770 58.000 0.118 0.000 1.293 521 F CB -0.406 38.661 39.000 0.111 0.000 1.013 521 F HN 0.148 nan 8.300 nan 0.000 0.486 522 S N -0.085 115.780 115.700 0.276 0.000 2.368 522 S HA -0.182 4.290 4.470 0.002 0.000 0.225 522 S C 2.379 177.069 174.600 0.151 0.000 1.030 522 S CA 0.989 59.308 58.200 0.198 0.000 0.999 522 S CB -0.762 62.547 63.200 0.182 0.000 0.844 522 S HN 0.379 nan 8.310 nan 0.000 0.459 523 A N 1.804 124.694 122.820 0.116 0.000 1.877 523 A HA -0.038 4.283 4.320 0.002 0.000 0.216 523 A C 2.134 179.742 177.584 0.040 0.000 1.186 523 A CA 1.246 53.316 52.037 0.055 0.000 0.620 523 A CB -0.881 18.128 19.000 0.015 0.000 0.822 523 A HN 0.440 nan 8.150 nan 0.000 0.443 524 L N -0.514 120.738 121.223 0.048 0.000 2.013 524 L HA -0.227 4.114 4.340 0.002 0.000 0.212 524 L C 2.841 179.784 176.870 0.122 0.000 1.073 524 L CA 1.939 56.817 54.840 0.063 0.000 0.753 524 L CB -1.276 40.828 42.059 0.075 0.000 0.890 524 L HN 0.404 nan 8.230 nan 0.000 0.432 525 T N -1.081 113.566 114.554 0.156 0.000 2.635 525 T HA -0.221 4.130 4.350 0.002 0.000 0.267 525 T C 1.862 176.666 174.700 0.175 0.000 1.040 525 T CA 2.093 64.292 62.100 0.164 0.000 1.156 525 T CB -0.559 68.407 68.868 0.163 0.000 0.863 525 T HN 0.402 nan 8.240 nan 0.000 0.430 526 T N 2.994 117.647 114.554 0.165 0.000 2.652 526 T HA -0.105 4.247 4.350 0.002 0.000 0.267 526 T C 2.116 176.965 174.700 0.248 0.000 1.039 526 T CA 1.248 63.473 62.100 0.208 0.000 1.153 526 T CB -0.391 68.533 68.868 0.094 0.000 0.863 526 T HN 0.188 nan 8.240 nan 0.000 0.428 527 M N 0.966 120.642 119.600 0.126 0.000 2.089 527 M HA -0.110 4.371 4.480 0.002 0.000 0.257 527 M C 2.512 179.039 176.300 0.379 0.000 1.071 527 M CA 1.364 56.736 55.300 0.121 0.000 1.096 527 M CB -1.682 30.879 32.600 -0.064 0.000 1.330 527 M HN 0.151 nan 8.290 nan 0.000 0.403 528 V N 0.382 120.458 119.914 0.270 0.000 2.358 528 V HA -0.212 3.909 4.120 0.002 0.000 0.246 528 V C 2.489 178.715 176.094 0.221 0.000 1.047 528 V CA 1.568 64.012 62.300 0.240 0.000 1.035 528 V CB -0.724 31.202 31.823 0.172 0.000 0.658 528 V HN 0.416 nan 8.190 nan 0.000 0.452 529 E N -0.281 120.058 120.200 0.231 0.000 2.097 529 E HA -0.225 4.126 4.350 0.002 0.000 0.196 529 E C 1.558 178.191 176.600 0.056 0.000 1.000 529 E CA 1.641 58.120 56.400 0.133 0.000 0.804 529 E CB -0.250 29.552 29.700 0.171 0.000 0.740 529 E HN 0.754 nan 8.360 nan 0.000 0.454 530 Y N -0.042 120.371 120.300 0.187 0.000 2.625 530 Y HA 0.370 4.922 4.550 0.002 0.000 0.285 530 Y C 0.620 176.688 175.900 0.280 0.000 1.168 530 Y CA -0.401 57.836 58.100 0.228 0.000 1.250 530 Y CB 0.074 38.685 38.460 0.252 0.000 1.130 530 Y HN -0.113 nan 8.280 nan 0.000 0.526 531 A N 0.577 123.566 122.820 0.280 0.000 2.386 531 A HA 0.528 4.850 4.320 0.002 0.000 0.248 531 A C 0.749 178.265 177.584 -0.113 0.000 1.082 531 A CA 0.220 52.298 52.037 0.069 0.000 0.789 531 A CB 0.083 19.139 19.000 0.093 0.000 1.025 531 A HN 0.328 nan 8.150 nan 0.000 0.490 532 T N -1.539 112.800 114.554 -0.358 0.000 2.883 532 T HA 0.430 4.781 4.350 0.002 0.000 0.284 532 T C 0.263 174.801 174.700 -0.269 0.000 1.041 532 T CA -0.332 61.552 62.100 -0.360 0.000 1.007 532 T CB 0.973 69.479 68.868 -0.604 0.000 1.220 532 T HN 0.471 nan 8.240 nan 0.000 0.552 533 D N 0.948 121.224 120.400 -0.207 0.000 2.123 533 D HA -0.104 4.537 4.640 0.002 0.000 0.196 533 D C 2.144 178.348 176.300 -0.160 0.000 0.992 533 D CA 1.783 55.696 54.000 -0.145 0.000 0.833 533 D CB -0.769 39.964 40.800 -0.111 0.000 0.954 533 D HN 0.705 nan 8.370 nan 0.000 0.455 534 T N 0.671 115.095 114.554 -0.217 0.000 2.714 534 T HA -0.145 4.206 4.350 0.002 0.000 0.268 534 T C 1.485 176.087 174.700 -0.163 0.000 1.036 534 T CA 1.261 63.245 62.100 -0.194 0.000 1.148 534 T CB -0.197 68.520 68.868 -0.252 0.000 0.856 534 T HN 0.149 nan 8.240 nan 0.000 0.462 535 V N -1.203 118.584 119.914 -0.213 0.000 2.294 535 V HA 0.882 5.003 4.120 0.002 0.000 0.258 535 V C 0.928 176.981 176.094 -0.069 0.000 1.080 535 V CA -0.561 61.658 62.300 -0.135 0.000 1.128 535 V CB -0.160 31.526 31.823 -0.228 0.000 1.323 535 V HN 0.256 nan 8.190 nan 0.000 0.498 536 A N 1.235 124.028 122.820 -0.045 0.000 1.924 536 A HA 0.084 4.405 4.320 0.002 0.000 0.211 536 A C 1.979 179.573 177.584 0.017 0.000 1.198 536 A CA 1.121 53.149 52.037 -0.015 0.000 0.657 536 A CB -0.110 18.875 19.000 -0.024 0.000 0.852 536 A HN 0.678 nan 8.150 nan 0.000 0.454 537 E N -0.466 119.743 120.200 0.014 0.000 2.097 537 E HA -0.230 4.121 4.350 0.002 0.000 0.196 537 E C 2.038 178.668 176.600 0.049 0.000 1.000 537 E CA 1.860 58.277 56.400 0.027 0.000 0.804 537 E CB -0.153 29.559 29.700 0.019 0.000 0.740 537 E HN 0.587 nan 8.360 nan 0.000 0.454 538 T N -1.099 113.498 114.554 0.070 0.000 2.812 538 T HA -0.116 4.235 4.350 0.002 0.000 0.264 538 T C 2.012 176.787 174.700 0.125 0.000 1.042 538 T CA 1.701 63.865 62.100 0.107 0.000 1.140 538 T CB -0.349 68.619 68.868 0.168 0.000 0.870 538 T HN 0.165 nan 8.240 nan 0.000 0.445 539 S N 0.325 116.103 115.700 0.129 0.000 2.400 539 S HA 0.007 4.478 4.470 0.002 0.000 0.232 539 S C 2.340 176.998 174.600 0.097 0.000 1.025 539 S CA 1.520 59.797 58.200 0.128 0.000 0.993 539 S CB -0.774 62.485 63.200 0.098 0.000 0.808 539 S HN 0.691 nan 8.310 nan 0.000 0.478 540 A N 0.390 123.254 122.820 0.074 0.000 1.968 540 A HA 0.089 4.410 4.320 0.002 0.000 0.217 540 A C 2.410 180.040 177.584 0.077 0.000 1.169 540 A CA 1.627 53.702 52.037 0.064 0.000 0.638 540 A CB -0.998 18.029 19.000 0.044 0.000 0.812 540 A HN 0.551 nan 8.150 nan 0.000 0.446 541 S N -0.179 115.569 115.700 0.080 0.000 2.399 541 S HA -0.095 4.376 4.470 0.002 0.000 0.231 541 S C 1.754 176.433 174.600 0.132 0.000 1.022 541 S CA 1.307 59.559 58.200 0.087 0.000 0.983 541 S CB -0.462 62.773 63.200 0.058 0.000 0.803 541 S HN 0.561 nan 8.310 nan 0.000 0.480 542 I N 1.643 122.295 120.570 0.137 0.000 2.163 542 I HA -0.196 3.975 4.170 0.002 0.000 0.240 542 I C 2.622 178.861 176.117 0.203 0.000 1.081 542 I CA 1.403 62.816 61.300 0.188 0.000 1.353 542 I CB -0.602 37.495 38.000 0.161 0.000 1.054 542 I HN 0.335 nan 8.210 nan 0.000 0.407 543 S N -0.107 115.674 115.700 0.136 0.000 2.368 543 S HA -0.187 4.284 4.470 0.002 0.000 0.225 543 S C 1.985 176.632 174.600 0.079 0.000 1.030 543 S CA 1.905 60.163 58.200 0.096 0.000 0.999 543 S CB -1.086 62.153 63.200 0.064 0.000 0.844 543 S HN 0.378 nan 8.310 nan 0.000 0.459 544 T N 1.907 116.518 114.554 0.095 0.000 2.821 544 T HA 0.026 4.377 4.350 0.002 0.000 0.267 544 T C 1.301 176.075 174.700 0.123 0.000 1.046 544 T CA 1.280 63.431 62.100 0.084 0.000 1.139 544 T CB -0.509 68.409 68.868 0.083 0.000 0.871 544 T HN 0.446 nan 8.240 nan 0.000 0.454 545 F N 2.891 122.861 119.950 0.034 0.000 2.075 545 F HA -0.136 4.393 4.527 0.002 0.000 0.297 545 F C 2.350 178.192 175.800 0.070 0.000 1.113 545 F CA 1.284 59.309 58.000 0.041 0.000 1.218 545 F CB -0.918 38.099 39.000 0.027 0.000 0.984 545 F HN 0.057 nan 8.300 nan 0.000 0.472 546 V N -0.993 118.818 119.914 -0.172 0.000 2.427 546 V HA -0.267 3.854 4.120 0.002 0.000 0.248 546 V C 2.326 178.319 176.094 -0.169 0.000 1.051 546 V CA 2.017 64.176 62.300 -0.234 0.000 1.048 546 V CB -1.050 30.801 31.823 0.046 0.000 0.666 546 V HN 0.483 nan 8.190 nan 0.000 0.456 547 M N 0.873 120.413 119.600 -0.101 0.000 2.099 547 M HA -0.128 4.354 4.480 0.002 0.000 0.262 547 M C 2.139 178.375 176.300 -0.107 0.000 1.067 547 M CA 2.562 57.800 55.300 -0.104 0.000 1.124 547 M CB -0.592 31.955 32.600 -0.088 0.000 1.353 547 M HN 0.516 nan 8.290 nan 0.000 0.410 548 D N 0.282 120.626 120.400 -0.094 0.000 2.144 548 D HA -0.194 4.447 4.640 0.002 0.000 0.199 548 D C 1.867 178.102 176.300 -0.107 0.000 0.984 548 D CA 1.349 55.307 54.000 -0.070 0.000 0.834 548 D CB 0.159 40.950 40.800 -0.016 0.000 0.955 548 D HN -0.016 nan 8.370 nan 0.000 0.465 549 K N -0.259 120.007 120.400 -0.223 0.000 2.025 549 K HA -0.069 4.252 4.320 0.002 0.000 0.207 549 K C 1.949 178.478 176.600 -0.120 0.000 1.049 549 K CA 0.736 56.889 56.287 -0.224 0.000 0.933 549 K CB -0.729 31.496 32.500 -0.459 0.000 0.714 549 K HN 0.172 nan 8.250 nan 0.000 0.438 550 L N 0.455 121.607 121.223 -0.118 0.000 1.989 550 L HA -0.057 4.284 4.340 0.002 0.000 0.211 550 L C 2.102 178.941 176.870 -0.052 0.000 1.071 550 L CA 2.536 57.333 54.840 -0.072 0.000 0.749 550 L CB -1.373 40.644 42.059 -0.069 0.000 0.890 550 L HN 0.339 nan 8.230 nan 0.000 0.431 551 G N -1.504 107.260 108.800 -0.061 0.000 2.469 551 G HA2 -0.383 3.578 3.960 0.002 0.000 0.219 551 G HA3 -0.383 3.578 3.960 0.002 0.000 0.219 551 G C 1.547 176.434 174.900 -0.021 0.000 1.150 551 G CA 0.933 46.009 45.100 -0.040 0.000 0.763 551 G HN 0.568 nan 8.290 nan 0.000 0.561 552 Q N 0.076 119.861 119.800 -0.024 0.000 2.124 552 Q HA -0.130 4.211 4.340 0.002 0.000 0.202 552 Q C 2.869 178.869 176.000 0.000 0.000 0.977 552 Q CA 2.041 57.839 55.803 -0.008 0.000 0.850 552 Q CB -0.241 28.494 28.738 -0.005 0.000 0.901 552 Q HN 0.639 nan 8.270 nan 0.000 0.429 553 T N -1.786 112.765 114.554 -0.004 0.000 2.867 553 T HA -0.107 4.245 4.350 0.002 0.000 0.268 553 T C 1.736 176.447 174.700 0.017 0.000 1.057 553 T CA 1.187 63.291 62.100 0.006 0.000 1.136 553 T CB -0.166 68.703 68.868 0.003 0.000 0.874 553 T HN 0.219 nan 8.240 nan 0.000 0.466 554 M N 1.323 120.932 119.600 0.015 0.000 2.394 554 M HA 0.020 4.501 4.480 0.002 0.000 0.264 554 M C 2.522 178.836 176.300 0.023 0.000 1.073 554 M CA 0.554 55.869 55.300 0.024 0.000 1.111 554 M CB -0.419 32.194 32.600 0.020 0.000 1.401 554 M HN 0.314 nan 8.290 nan 0.000 0.448 555 S N 0.211 115.920 115.700 0.016 0.000 2.401 555 S HA -0.144 4.327 4.470 0.002 0.000 0.236 555 S C 1.035 175.646 174.600 0.019 0.000 1.058 555 S CA 1.188 59.398 58.200 0.016 0.000 1.151 555 S CB -0.580 62.628 63.200 0.013 0.000 1.049 555 S HN 0.295 nan 8.310 nan 0.000 0.432 565 D N 0.682 121.056 120.400 -0.043 0.000 2.178 565 D HA -0.002 4.639 4.640 0.002 0.000 0.202 565 D C 1.664 177.934 176.300 -0.051 0.000 0.974 565 D CA 1.440 55.415 54.000 -0.040 0.000 0.841 565 D CB 0.120 40.903 40.800 -0.028 0.000 0.953 565 D HN 0.346 nan 8.370 nan 0.000 0.478 566 A N 0.617 123.402 122.820 -0.058 0.000 1.873 566 A HA -0.155 4.166 4.320 0.002 0.000 0.215 566 A C 2.115 179.619 177.584 -0.133 0.000 1.186 566 A CA 1.073 53.063 52.037 -0.077 0.000 0.616 566 A CB -0.340 18.619 19.000 -0.067 0.000 0.823 566 A HN 0.123 nan 8.150 nan 0.000 0.442 567 Q N -0.223 119.497 119.800 -0.134 0.000 2.119 567 Q HA -0.110 4.231 4.340 0.002 0.000 0.201 567 Q C 2.386 178.296 176.000 -0.151 0.000 0.972 567 Q CA 1.606 57.305 55.803 -0.174 0.000 0.847 567 Q CB -0.895 27.765 28.738 -0.130 0.000 0.903 567 Q HN 0.642 nan 8.270 nan 0.000 0.433 568 S N 0.412 116.051 115.700 -0.102 0.000 2.382 568 S HA -0.120 4.351 4.470 0.002 0.000 0.228 568 S C 1.867 176.422 174.600 -0.076 0.000 1.027 568 S CA 0.713 58.867 58.200 -0.077 0.000 0.991 568 S CB -0.060 63.106 63.200 -0.056 0.000 0.823 568 S HN 0.263 nan 8.310 nan 0.000 0.469 569 L N 1.584 122.759 121.223 -0.080 0.000 2.023 569 L HA 0.031 4.372 4.340 0.002 0.000 0.205 569 L C 2.562 179.384 176.870 -0.079 0.000 1.073 569 L CA 1.880 56.683 54.840 -0.061 0.000 0.745 569 L CB -0.861 41.174 42.059 -0.040 0.000 0.900 569 L HN 0.347 nan 8.230 nan 0.000 0.435 570 Q N -0.659 119.035 119.800 -0.177 0.000 2.096 570 Q HA -0.301 4.040 4.340 0.002 0.000 0.204 570 Q C 2.104 177.999 176.000 -0.175 0.000 0.982 570 Q CA 1.998 57.600 55.803 -0.335 0.000 0.850 570 Q CB -0.286 27.831 28.738 -1.035 0.000 0.901 570 Q HN 0.649 nan 8.270 nan 0.000 0.422 571 E N 0.662 120.760 120.200 -0.171 0.000 2.070 571 E HA -0.263 4.088 4.350 0.002 0.000 0.197 571 E C 1.947 178.498 176.600 -0.083 0.000 1.004 571 E CA 1.178 57.524 56.400 -0.090 0.000 0.805 571 E CB -0.129 29.526 29.700 -0.076 0.000 0.744 571 E HN 0.243 nan 8.360 nan 0.000 0.451 572 L N 1.202 122.363 121.223 -0.103 0.000 2.042 572 L HA -0.249 4.093 4.340 0.002 0.000 0.210 572 L C 2.264 178.988 176.870 -0.243 0.000 1.076 572 L CA 1.955 56.679 54.840 -0.192 0.000 0.749 572 L CB -0.507 41.485 42.059 -0.113 0.000 0.893 572 L HN 0.238 nan 8.230 nan 0.000 0.432 573 Q N -1.293 118.465 119.800 -0.070 0.000 2.079 573 Q HA -0.160 4.181 4.340 0.002 0.000 0.200 573 Q C 2.182 178.185 176.000 0.005 0.000 0.974 573 Q CA 1.772 57.574 55.803 -0.002 0.000 0.840 573 Q CB -0.228 28.606 28.738 0.161 0.000 0.898 573 Q HN 0.549 nan 8.270 nan 0.000 0.430 574 S N 1.353 117.110 115.700 0.094 0.000 2.365 574 S HA -0.171 4.300 4.470 0.002 0.000 0.225 574 S C 1.642 176.221 174.600 -0.035 0.000 1.039 574 S CA 1.324 59.568 58.200 0.072 0.000 1.033 574 S CB -0.402 62.874 63.200 0.126 0.000 0.887 574 S HN 0.382 nan 8.310 nan 0.000 0.447 575 N N 1.471 120.085 118.700 -0.143 0.000 2.069 575 N HA -0.066 4.676 4.740 0.002 0.000 0.191 575 N C 1.776 177.111 175.510 -0.293 0.000 1.031 575 N CA 1.338 54.240 53.050 -0.247 0.000 0.852 575 N CB -0.494 37.678 38.487 -0.525 0.000 1.018 575 N HN 0.390 nan 8.380 nan 0.000 0.423 576 I N 1.012 121.314 120.570 -0.446 0.000 2.226 576 I HA -0.228 3.944 4.170 0.002 0.000 0.245 576 I C 2.254 178.367 176.117 -0.006 0.000 1.100 576 I CA 0.816 61.981 61.300 -0.225 0.000 1.374 576 I CB -0.167 37.715 38.000 -0.197 0.000 1.057 576 I HN 0.045 nan 8.210 nan 0.000 0.413 577 L N -0.063 121.154 121.223 -0.010 0.000 2.217 577 L HA -0.159 4.183 4.340 0.002 0.000 0.211 577 L C 2.549 179.449 176.870 0.049 0.000 1.107 577 L CA 1.218 56.080 54.840 0.037 0.000 0.783 577 L CB -0.459 41.600 42.059 0.001 0.000 0.919 577 L HN 0.240 nan 8.230 nan 0.000 0.442 578 T N -0.946 113.638 114.554 0.050 0.000 2.665 578 T HA -0.212 4.139 4.350 0.002 0.000 0.268 578 T C 1.904 176.668 174.700 0.107 0.000 1.035 578 T CA 1.738 63.883 62.100 0.075 0.000 1.151 578 T CB -0.282 68.639 68.868 0.089 0.000 0.862 578 T HN 0.096 nan 8.240 nan 0.000 0.438 579 V N 1.075 121.079 119.914 0.150 0.000 2.307 579 V HA -0.090 4.032 4.120 0.002 0.000 0.245 579 V C 2.445 178.622 176.094 0.138 0.000 1.045 579 V CA 1.207 63.614 62.300 0.178 0.000 1.024 579 V CB -0.681 31.303 31.823 0.269 0.000 0.651 579 V HN 0.275 nan 8.190 nan 0.000 0.449 580 L N 0.591 121.891 121.223 0.129 0.000 2.042 580 L HA -0.134 4.207 4.340 0.002 0.000 0.210 580 L C 2.527 179.465 176.870 0.114 0.000 1.076 580 L CA 2.276 57.192 54.840 0.127 0.000 0.749 580 L CB -1.112 41.045 42.059 0.164 0.000 0.893 580 L HN 0.282 nan 8.230 nan 0.000 0.432 581 A N -0.961 121.910 122.820 0.085 0.000 1.883 581 A HA -0.175 4.146 4.320 0.002 0.000 0.217 581 A C 2.454 180.064 177.584 0.044 0.000 1.186 581 A CA 1.950 54.014 52.037 0.045 0.000 0.624 581 A CB -1.061 17.952 19.000 0.021 0.000 0.822 581 A HN 0.484 nan 8.150 nan 0.000 0.444 582 A N -0.643 122.214 122.820 0.062 0.000 1.902 582 A HA 0.003 4.324 4.320 0.002 0.000 0.217 582 A C 2.238 179.859 177.584 0.062 0.000 1.181 582 A CA 1.768 53.842 52.037 0.062 0.000 0.623 582 A CB -0.972 18.082 19.000 0.091 0.000 0.818 582 A HN 0.397 nan 8.150 nan 0.000 0.443 583 V N 0.274 120.234 119.914 0.076 0.000 2.287 583 V HA -0.296 3.825 4.120 0.002 0.000 0.248 583 V C 2.405 178.526 176.094 0.046 0.000 1.053 583 V CA 2.226 64.567 62.300 0.070 0.000 1.027 583 V CB -0.688 31.182 31.823 0.078 0.000 0.646 583 V HN 0.594 nan 8.190 nan 0.000 0.447 584 I N -0.553 120.043 120.570 0.043 0.000 2.493 584 I HA -0.160 4.011 4.170 0.002 0.000 0.254 584 I C 1.711 177.831 176.117 0.005 0.000 1.160 584 I CA 1.264 62.579 61.300 0.024 0.000 1.445 584 I CB -0.252 37.765 38.000 0.029 0.000 1.086 584 I HN 0.184 nan 8.210 nan 0.000 0.433 585 R N 0.443 120.946 120.500 0.005 0.000 3.351 585 R HA 0.146 4.488 4.340 0.002 0.000 0.296 585 R C 0.669 176.964 176.300 -0.007 0.000 1.427 585 R CA 0.060 56.155 56.100 -0.009 0.000 1.257 585 R CB 0.259 30.550 30.300 -0.015 0.000 1.378 585 R HN 0.133 nan 8.270 nan 0.000 0.610 586 K N -0.840 119.559 120.400 -0.001 0.000 3.172 586 K HA 0.024 4.345 4.320 0.002 0.000 0.237 586 K C -0.728 175.870 176.600 -0.003 0.000 2.324 586 K CA 0.543 56.828 56.287 -0.002 0.000 1.521 586 K CB 0.442 32.952 32.500 0.017 0.000 2.603 586 K HN 0.060 nan 8.250 nan 0.000 0.537 587 S N 1.518 117.224 115.700 0.009 0.000 2.259 587 S HA 0.425 4.896 4.470 0.002 0.000 0.181 587 S C -2.301 172.307 174.600 0.013 0.000 1.589 587 S CA -1.094 57.111 58.200 0.007 0.000 1.234 587 S CB 1.569 64.775 63.200 0.010 0.000 1.119 587 S HN 0.173 nan 8.310 nan 0.000 0.458 588 P HA -0.008 nan 4.420 nan 0.000 0.230 588 P C 1.264 178.572 177.300 0.014 0.000 1.158 588 P CA 0.567 63.674 63.100 0.012 0.000 0.769 588 P CB -0.101 31.603 31.700 0.007 0.000 0.807 589 S N 0.875 116.581 115.700 0.010 0.000 2.423 589 S HA -0.142 4.329 4.470 0.002 0.000 0.238 589 S C 1.895 176.503 174.600 0.014 0.000 1.028 589 S CA 1.947 60.153 58.200 0.010 0.000 1.000 589 S CB -0.945 62.258 63.200 0.004 0.000 0.797 589 S HN 0.455 nan 8.310 nan 0.000 0.487 590 S N 0.169 115.879 115.700 0.017 0.000 2.575 590 S HA 0.213 4.684 4.470 0.002 0.000 0.215 590 S C 1.196 175.805 174.600 0.016 0.000 0.966 590 S CA 0.261 58.473 58.200 0.020 0.000 0.911 590 S CB 0.170 63.387 63.200 0.029 0.000 0.780 590 S HN 0.532 nan 8.310 nan 0.000 0.514 591 V N -3.091 116.829 119.914 0.011 0.000 3.426 591 V HA 0.368 4.489 4.120 0.002 0.000 0.279 591 V C 1.481 177.576 176.094 0.002 0.000 1.544 591 V CA -0.126 62.171 62.300 -0.004 0.000 1.017 591 V CB -0.433 31.382 31.823 -0.014 0.000 0.821 591 V HN 0.191 nan 8.190 nan 0.000 0.432 592 E N 2.056 122.268 120.200 0.019 0.000 2.077 592 E HA -0.087 4.264 4.350 0.002 0.000 0.193 592 E C -0.580 176.043 176.600 0.039 0.000 0.989 592 E CA 1.992 58.415 56.400 0.038 0.000 0.800 592 E CB -1.085 28.640 29.700 0.041 0.000 0.746 592 E HN 0.572 nan 8.360 nan 0.000 0.452 593 P HA -0.116 nan 4.420 nan 0.000 0.222 593 P C 0.548 177.861 177.300 0.021 0.000 1.147 593 P CA 1.070 64.185 63.100 0.024 0.000 0.790 593 P CB 0.126 31.837 31.700 0.018 0.000 0.780 594 V N -5.503 114.416 119.914 0.009 0.000 2.854 594 V HA 0.607 4.729 4.120 0.002 0.000 0.366 594 V C 1.570 177.653 176.094 -0.019 0.000 1.322 594 V CA -0.042 62.255 62.300 -0.005 0.000 1.243 594 V CB -0.541 31.269 31.823 -0.022 0.000 1.337 594 V HN -0.071 nan 8.190 nan 0.000 0.585 595 A N 0.976 123.808 122.820 0.020 0.000 1.903 595 A HA -0.293 4.028 4.320 0.002 0.000 0.219 595 A C 1.907 179.483 177.584 -0.013 0.000 1.191 595 A CA 2.614 54.664 52.037 0.022 0.000 0.638 595 A CB -0.680 18.406 19.000 0.143 0.000 0.823 595 A HN 0.673 nan 8.150 nan 0.000 0.451 596 D N -1.282 119.169 120.400 0.085 0.000 2.182 596 D HA -0.164 4.477 4.640 0.002 0.000 0.201 596 D C 1.764 178.058 176.300 -0.012 0.000 0.986 596 D CA 1.645 55.707 54.000 0.102 0.000 0.847 596 D CB -0.212 40.666 40.800 0.129 0.000 0.942 596 D HN 0.397 nan 8.370 nan 0.000 0.467 597 M N -0.392 119.172 119.600 -0.060 0.000 2.091 597 M HA -0.057 4.425 4.480 0.002 0.000 0.259 597 M C 2.199 178.346 176.300 -0.255 0.000 1.076 597 M CA 1.240 56.471 55.300 -0.115 0.000 1.111 597 M CB -0.394 32.146 32.600 -0.100 0.000 1.291 597 M HN 0.045 nan 8.290 nan 0.000 0.417 598 L N -0.518 120.487 121.223 -0.364 0.000 1.978 598 L HA -0.351 3.991 4.340 0.002 0.000 0.218 598 L C 2.554 178.888 176.870 -0.892 0.000 1.075 598 L CA 1.481 55.863 54.840 -0.763 0.000 0.767 598 L CB -0.751 40.928 42.059 -0.632 0.000 0.890 598 L HN 0.438 nan 8.230 nan 0.000 0.434 599 M N -0.525 118.760 119.600 -0.526 0.000 2.108 599 M HA -0.142 4.340 4.480 0.002 0.000 0.261 599 M C 2.362 178.566 176.300 -0.160 0.000 1.066 599 M CA 1.972 56.999 55.300 -0.456 0.000 1.107 599 M CB -2.051 30.196 32.600 -0.587 0.000 1.356 599 M HN 0.351 nan 8.290 nan 0.000 0.406 600 G N 0.265 109.039 108.800 -0.044 0.000 2.446 600 G HA2 -0.181 3.781 3.960 0.002 0.000 0.217 600 G HA3 -0.181 3.781 3.960 0.002 0.000 0.217 600 G C 1.716 176.624 174.900 0.013 0.000 1.168 600 G CA 0.701 45.845 45.100 0.072 0.000 0.771 600 G HN 0.415 nan 8.290 nan 0.000 0.551 601 L N -0.725 120.407 121.223 -0.152 0.000 2.027 601 L HA 0.017 4.359 4.340 0.002 0.000 0.206 601 L C 2.778 179.616 176.870 -0.054 0.000 1.074 601 L CA 0.731 55.483 54.840 -0.146 0.000 0.745 601 L CB -0.571 41.324 42.059 -0.273 0.000 0.898 601 L HN 0.071 nan 8.230 nan 0.000 0.433 602 F N 0.010 119.842 119.950 -0.196 0.000 2.095 602 F HA -0.210 4.319 4.527 0.002 0.000 0.298 602 F C 2.404 178.040 175.800 -0.274 0.000 1.104 602 F CA 1.056 58.871 58.000 -0.308 0.000 1.232 602 F CB -1.288 37.416 39.000 -0.493 0.000 0.987 602 F HN -0.073 nan 8.300 nan 0.000 0.475 603 F N 0.161 120.161 119.950 0.083 0.000 2.171 603 F HA -0.118 4.411 4.527 0.002 0.000 0.300 603 F C 2.485 178.315 175.800 0.050 0.000 1.090 603 F CA 1.035 59.066 58.000 0.051 0.000 1.293 603 F CB -0.918 38.140 39.000 0.097 0.000 1.013 603 F HN -0.131 nan 8.300 nan 0.000 0.486 604 R N 0.024 120.649 120.500 0.208 0.000 2.073 604 R HA -0.159 4.182 4.340 0.002 0.000 0.234 604 R C 2.327 178.679 176.300 0.088 0.000 1.134 604 R CA 1.344 57.520 56.100 0.127 0.000 0.952 604 R CB -0.912 29.436 30.300 0.079 0.000 0.850 604 R HN 0.310 nan 8.270 nan 0.000 0.433 605 L N 0.748 122.006 121.223 0.057 0.000 2.013 605 L HA -0.244 4.097 4.340 0.002 0.000 0.212 605 L C 2.349 179.206 176.870 -0.021 0.000 1.073 605 L CA 1.466 56.312 54.840 0.010 0.000 0.753 605 L CB -0.304 41.748 42.059 -0.011 0.000 0.890 605 L HN 0.243 nan 8.230 nan 0.000 0.432 606 L N -1.115 120.079 121.223 -0.049 0.000 2.291 606 L HA -0.168 4.173 4.340 0.002 0.000 0.214 606 L C 2.379 179.328 176.870 0.131 0.000 1.120 606 L CA 0.768 55.561 54.840 -0.078 0.000 0.799 606 L CB -0.395 41.381 42.059 -0.473 0.000 0.925 606 L HN 0.287 nan 8.230 nan 0.000 0.446 607 E N 0.757 121.058 120.200 0.168 0.000 2.028 607 E HA -0.155 4.196 4.350 0.002 0.000 0.191 607 E C 0.869 177.540 176.600 0.119 0.000 0.988 607 E CA 0.703 57.212 56.400 0.181 0.000 0.799 607 E CB 0.064 29.860 29.700 0.159 0.000 0.755 607 E HN 0.456 nan 8.360 nan 0.000 0.447 608 K N 1.829 122.283 120.400 0.090 0.000 2.286 608 K HA 0.064 4.385 4.320 0.002 0.000 0.256 608 K C -0.191 176.453 176.600 0.075 0.000 0.999 608 K CA -0.027 56.305 56.287 0.075 0.000 0.908 608 K CB 0.514 33.056 32.500 0.070 0.000 0.981 608 K HN -0.225 nan 8.250 nan 0.000 0.500 609 K N 0.651 121.092 120.400 0.070 0.000 2.149 609 K HA -0.004 4.317 4.320 0.002 0.000 0.245 609 K C -0.433 176.221 176.600 0.090 0.000 1.024 609 K CA -0.208 56.120 56.287 0.069 0.000 0.899 609 K CB 0.173 32.706 32.500 0.055 0.000 1.038 609 K HN 0.730 nan 8.250 nan 0.000 0.496 610 D N 0.965 121.421 120.400 0.094 0.000 2.697 610 D HA -0.124 4.517 4.640 0.002 0.000 0.238 610 D C 0.266 176.702 176.300 0.228 0.000 1.152 610 D CA 1.131 55.215 54.000 0.140 0.000 0.666 610 D CB -0.837 40.035 40.800 0.120 0.000 1.037 610 D HN 0.663 nan 8.370 nan 0.000 0.423 611 S N -1.731 114.041 115.700 0.119 0.000 2.523 611 S HA 0.369 4.840 4.470 0.002 0.000 0.217 611 S C 2.020 176.548 174.600 -0.120 0.000 0.996 611 S CA 0.344 58.527 58.200 -0.028 0.000 0.921 611 S CB 0.874 64.041 63.200 -0.055 0.000 0.829 611 S HN 0.402 nan 8.310 nan 0.000 0.495 612 A N 2.345 125.184 122.820 0.031 0.000 1.986 612 A HA -0.025 4.296 4.320 0.002 0.000 0.220 612 A C 1.852 179.439 177.584 0.005 0.000 1.171 612 A CA 1.710 53.753 52.037 0.011 0.000 0.640 612 A CB -1.292 17.740 19.000 0.054 0.000 0.811 612 A HN 0.883 nan 8.150 nan 0.000 0.451 613 F N 0.591 120.533 119.950 -0.014 0.000 2.171 613 F HA -0.097 4.431 4.527 0.002 0.000 0.300 613 F C 1.494 177.284 175.800 -0.018 0.000 1.090 613 F CA 1.385 59.377 58.000 -0.013 0.000 1.293 613 F CB -0.551 38.441 39.000 -0.012 0.000 1.013 613 F HN 0.195 nan 8.300 nan 0.000 0.486 614 I N -0.959 119.033 120.570 -0.964 0.000 3.708 614 I HA 0.184 4.356 4.170 0.002 0.000 0.302 614 I C 1.778 177.667 176.117 -0.380 0.000 1.255 614 I CA -0.073 60.829 61.300 -0.665 0.000 1.362 614 I CB -1.275 36.224 38.000 -0.835 0.000 1.100 614 I HN 0.080 nan 8.210 nan 0.000 0.434 615 E N 1.875 121.875 120.200 -0.333 0.000 2.095 615 E HA -0.321 4.030 4.350 0.002 0.000 0.212 615 E C 1.553 178.023 176.600 -0.217 0.000 1.044 615 E CA 2.341 58.601 56.400 -0.233 0.000 0.857 615 E CB -0.271 29.335 29.700 -0.157 0.000 0.764 615 E HN 0.530 nan 8.360 nan 0.000 0.462 616 D N 0.165 120.437 120.400 -0.212 0.000 2.117 616 D HA -0.137 4.504 4.640 0.002 0.000 0.197 616 D C 1.584 177.708 176.300 -0.294 0.000 0.987 616 D CA 1.071 54.882 54.000 -0.316 0.000 0.829 616 D CB -0.376 40.296 40.800 -0.215 0.000 0.961 616 D HN 0.143 nan 8.370 nan 0.000 0.460 617 D N -0.175 120.173 120.400 -0.086 0.000 2.104 617 D HA -0.104 4.537 4.640 0.002 0.000 0.194 617 D C 2.232 178.436 176.300 -0.160 0.000 0.994 617 D CA 0.515 54.525 54.000 0.015 0.000 0.830 617 D CB -0.353 40.428 40.800 -0.033 0.000 0.959 617 D HN 0.081 nan 8.370 nan 0.000 0.452 618 V N 0.621 120.349 119.914 -0.310 0.000 2.515 618 V HA -0.194 3.927 4.120 0.002 0.000 0.250 618 V C 2.082 177.865 176.094 -0.518 0.000 1.058 618 V CA 1.034 62.990 62.300 -0.573 0.000 1.064 618 V CB -0.515 30.989 31.823 -0.532 0.000 0.675 618 V HN 0.090 nan 8.190 nan 0.000 0.461 619 F N 0.158 119.847 119.950 -0.435 0.000 2.113 619 F HA -0.194 4.334 4.527 0.002 0.000 0.297 619 F C 2.267 177.894 175.800 -0.287 0.000 1.103 619 F CA 1.649 59.446 58.000 -0.337 0.000 1.248 619 F CB -0.415 38.362 39.000 -0.371 0.000 0.999 619 F HN 0.154 nan 8.300 nan 0.000 0.475 620 Y N -0.018 120.276 120.300 -0.011 0.000 2.151 620 Y HA -0.305 4.246 4.550 0.002 0.000 0.284 620 Y C 2.627 178.375 175.900 -0.254 0.000 1.166 620 Y CA 0.912 58.960 58.100 -0.086 0.000 1.163 620 Y CB -0.870 37.575 38.460 -0.026 0.000 0.974 620 Y HN 0.197 nan 8.280 nan 0.000 0.511 621 A N 0.313 123.011 122.820 -0.202 0.000 1.873 621 A HA -0.156 4.165 4.320 0.002 0.000 0.215 621 A C 2.160 179.517 177.584 -0.377 0.000 1.186 621 A CA 1.629 53.484 52.037 -0.304 0.000 0.616 621 A CB -0.989 17.703 19.000 -0.512 0.000 0.823 621 A HN 0.473 nan 8.150 nan 0.000 0.442 622 I N -0.063 120.149 120.570 -0.597 0.000 2.226 622 I HA -0.253 3.918 4.170 0.002 0.000 0.245 622 I C 2.732 178.446 176.117 -0.671 0.000 1.100 622 I CA 1.428 62.356 61.300 -0.621 0.000 1.374 622 I CB -0.325 37.171 38.000 -0.840 0.000 1.057 622 I HN 0.239 nan 8.210 nan 0.000 0.413 623 S N 0.843 116.135 115.700 -0.680 0.000 2.359 623 S HA -0.273 4.199 4.470 0.002 0.000 0.223 623 S C 2.280 176.729 174.600 -0.251 0.000 1.039 623 S CA 1.627 59.565 58.200 -0.436 0.000 1.042 623 S CB -0.555 62.448 63.200 -0.328 0.000 0.915 623 S HN 0.574 nan 8.310 nan 0.000 0.439 624 A N 1.171 123.874 122.820 -0.195 0.000 1.883 624 A HA -0.080 4.241 4.320 0.002 0.000 0.217 624 A C 2.156 179.661 177.584 -0.132 0.000 1.186 624 A CA 1.573 53.536 52.037 -0.123 0.000 0.624 624 A CB -0.806 18.146 19.000 -0.080 0.000 0.822 624 A HN 0.401 nan 8.150 nan 0.000 0.444 625 L N -0.321 120.809 121.223 -0.154 0.000 2.079 625 L HA -0.099 4.242 4.340 0.002 0.000 0.210 625 L C 2.678 179.454 176.870 -0.155 0.000 1.081 625 L CA 2.145 56.921 54.840 -0.107 0.000 0.752 625 L CB -0.611 41.414 42.059 -0.056 0.000 0.896 625 L HN 0.355 nan 8.230 nan 0.000 0.433 626 A N -0.868 121.717 122.820 -0.392 0.000 1.969 626 A HA -0.020 4.301 4.320 0.002 0.000 0.218 626 A C 2.429 179.850 177.584 -0.272 0.000 1.169 626 A CA 1.349 53.035 52.037 -0.585 0.000 0.635 626 A CB -0.966 17.306 19.000 -1.214 0.000 0.810 626 A HN 0.527 nan 8.150 nan 0.000 0.445 627 A N -0.518 122.181 122.820 -0.202 0.000 1.978 627 A HA -0.072 4.249 4.320 0.002 0.000 0.220 627 A C 2.411 179.946 177.584 -0.083 0.000 1.170 627 A CA 2.127 54.084 52.037 -0.133 0.000 0.636 627 A CB -0.611 18.328 19.000 -0.102 0.000 0.810 627 A HN 0.446 nan 8.150 nan 0.000 0.448 628 S N -0.330 115.334 115.700 -0.060 0.000 2.356 628 S HA 0.055 4.527 4.470 0.002 0.000 0.219 628 S C 1.755 176.363 174.600 0.012 0.000 1.036 628 S CA 1.028 59.216 58.200 -0.020 0.000 0.965 628 S CB -0.391 62.803 63.200 -0.009 0.000 0.864 628 S HN 0.514 nan 8.310 nan 0.000 0.471 629 L N 1.322 122.575 121.223 0.050 0.000 2.265 629 L HA -0.013 4.328 4.340 0.002 0.000 0.215 629 L C 1.984 178.912 176.870 0.096 0.000 1.117 629 L CA 0.649 55.557 54.840 0.113 0.000 0.782 629 L CB -1.633 40.573 42.059 0.246 0.000 0.914 629 L HN 0.540 nan 8.230 nan 0.000 0.441 630 G N 0.752 109.585 108.800 0.054 0.000 2.629 630 G HA2 -0.438 3.523 3.960 0.002 0.000 0.313 630 G HA3 -0.438 3.523 3.960 0.002 0.000 0.313 630 G C 0.928 175.877 174.900 0.082 0.000 1.217 630 G CA 0.699 45.818 45.100 0.031 0.000 0.994 630 G HN 0.264 nan 8.290 nan 0.000 0.549 631 K N 1.345 121.786 120.400 0.067 0.000 2.211 631 K HA -0.067 4.254 4.320 0.002 0.000 0.204 631 K C 2.685 179.344 176.600 0.099 0.000 1.047 631 K CA 1.305 57.642 56.287 0.082 0.000 0.935 631 K CB -0.630 31.905 32.500 0.059 0.000 0.728 631 K HN 0.581 nan 8.250 nan 0.000 0.452 632 G N 0.099 108.965 108.800 0.110 0.000 2.509 632 G HA2 -0.228 3.733 3.960 0.002 0.000 0.218 632 G HA3 -0.228 3.733 3.960 0.002 0.000 0.218 632 G C 1.112 176.117 174.900 0.175 0.000 1.124 632 G CA 0.034 45.202 45.100 0.113 0.000 0.776 632 G HN 0.243 nan 8.290 nan 0.000 0.547 633 F N 0.798 120.811 119.950 0.105 0.000 2.615 633 F HA 0.209 4.737 4.527 0.002 0.000 0.297 633 F C 2.247 178.135 175.800 0.147 0.000 1.124 633 F CA 0.692 58.824 58.000 0.219 0.000 1.451 633 F CB 0.181 39.299 39.000 0.196 0.000 1.103 633 F HN 0.286 nan 8.300 nan 0.000 0.569 634 E N 1.247 121.490 120.200 0.072 0.000 2.130 634 E HA -0.294 4.057 4.350 0.002 0.000 0.196 634 E C 2.109 178.631 176.600 -0.130 0.000 0.998 634 E CA 1.734 58.141 56.400 0.012 0.000 0.806 634 E CB -0.183 29.566 29.700 0.081 0.000 0.738 634 E HN 0.554 nan 8.360 nan 0.000 0.459 635 K N -0.497 119.724 120.400 -0.298 0.000 2.442 635 K HA -0.177 4.145 4.320 0.002 0.000 0.198 635 K C 0.904 177.206 176.600 -0.496 0.000 1.044 635 K CA 1.351 57.398 56.287 -0.400 0.000 0.948 635 K CB -0.153 32.054 32.500 -0.488 0.000 0.762 635 K HN 0.284 nan 8.250 nan 0.000 0.472 636 Y N 0.583 120.715 120.300 -0.280 0.000 2.481 636 Y HA 0.200 4.752 4.550 0.002 0.000 0.258 636 Y C 2.013 177.829 175.900 -0.140 0.000 1.103 636 Y CA -0.623 57.308 58.100 -0.281 0.000 1.287 636 Y CB -0.145 37.997 38.460 -0.531 0.000 1.108 636 Y HN -0.103 nan 8.280 nan 0.000 0.529 637 L N 0.519 121.732 121.223 -0.018 0.000 2.051 637 L HA -0.316 4.025 4.340 0.002 0.000 0.214 637 L C 2.546 179.568 176.870 0.255 0.000 1.076 637 L CA 2.016 56.997 54.840 0.235 0.000 0.758 637 L CB -0.080 42.007 42.059 0.046 0.000 0.890 637 L HN 0.263 nan 8.230 nan 0.000 0.433 638 E N -0.127 120.169 120.200 0.160 0.000 2.021 638 E HA -0.298 4.054 4.350 0.002 0.000 0.200 638 E C 1.981 178.643 176.600 0.104 0.000 1.015 638 E CA 2.723 59.204 56.400 0.135 0.000 0.824 638 E CB -0.461 29.285 29.700 0.076 0.000 0.762 638 E HN 0.537 nan 8.360 nan 0.000 0.454 639 T N -2.108 112.473 114.554 0.046 0.000 3.055 639 T HA -0.073 4.278 4.350 0.002 0.000 0.265 639 T C 1.668 176.482 174.700 0.191 0.000 1.111 639 T CA 0.798 62.861 62.100 -0.062 0.000 1.118 639 T CB -0.479 68.151 68.868 -0.397 0.000 0.909 639 T HN 0.227 nan 8.240 nan 0.000 0.501 640 F N 1.671 121.799 119.950 0.296 0.000 2.416 640 F HA 0.272 4.800 4.527 0.002 0.000 0.296 640 F C 2.457 178.462 175.800 0.342 0.000 1.099 640 F CA 0.332 58.679 58.000 0.578 0.000 1.427 640 F CB -0.689 38.645 39.000 0.556 0.000 1.079 640 F HN 0.239 nan 8.300 nan 0.000 0.536 641 S N 0.972 116.748 115.700 0.126 0.000 2.378 641 S HA -0.194 4.277 4.470 0.002 0.000 0.229 641 S C -0.312 174.194 174.600 -0.157 0.000 1.052 641 S CA 2.288 60.478 58.200 -0.016 0.000 1.084 641 S CB -1.329 61.909 63.200 0.063 0.000 0.950 641 S HN 0.267 nan 8.310 nan 0.000 0.440 642 P HA -0.061 nan 4.420 nan 0.000 0.215 642 P C 0.690 177.779 177.300 -0.352 0.000 1.153 642 P CA 1.247 64.152 63.100 -0.324 0.000 0.853 642 P CB -0.232 31.178 31.700 -0.483 0.000 0.788 643 Y N -1.109 119.082 120.300 -0.182 0.000 2.293 643 Y HA -0.064 4.487 4.550 0.002 0.000 0.291 643 Y C 2.303 177.987 175.900 -0.359 0.000 1.137 643 Y CA 0.399 58.364 58.100 -0.224 0.000 1.202 643 Y CB -1.452 36.936 38.460 -0.120 0.000 0.990 643 Y HN -0.120 nan 8.280 nan 0.000 0.537 644 L N -0.193 120.784 121.223 -0.410 0.000 2.027 644 L HA -0.155 4.187 4.340 0.002 0.000 0.206 644 L C 1.997 178.768 176.870 -0.165 0.000 1.074 644 L CA 1.645 56.315 54.840 -0.284 0.000 0.745 644 L CB -0.762 41.128 42.059 -0.282 0.000 0.898 644 L HN 0.180 nan 8.230 nan 0.000 0.433 645 L N -0.607 120.534 121.223 -0.138 0.000 2.017 645 L HA -0.213 4.128 4.340 0.002 0.000 0.208 645 L C 2.601 179.397 176.870 -0.124 0.000 1.073 645 L CA 1.466 56.249 54.840 -0.096 0.000 0.745 645 L CB -0.714 41.301 42.059 -0.074 0.000 0.894 645 L HN 0.242 nan 8.230 nan 0.000 0.432 646 K N 0.774 121.087 120.400 -0.144 0.000 2.074 646 K HA -0.210 4.111 4.320 0.002 0.000 0.209 646 K C 1.945 178.422 176.600 -0.205 0.000 1.048 646 K CA 1.904 58.107 56.287 -0.141 0.000 0.926 646 K CB -0.378 32.060 32.500 -0.104 0.000 0.713 646 K HN 0.276 nan 8.250 nan 0.000 0.444 647 A N 0.363 122.986 122.820 -0.328 0.000 1.854 647 A HA -0.009 4.312 4.320 0.002 0.000 0.214 647 A C 2.256 179.640 177.584 -0.334 0.000 1.192 647 A CA 1.360 53.086 52.037 -0.519 0.000 0.611 647 A CB -0.714 17.572 19.000 -1.190 0.000 0.832 647 A HN 0.304 nan 8.150 nan 0.000 0.442 648 L N -0.151 120.936 121.223 -0.227 0.000 2.051 648 L HA -0.288 4.053 4.340 0.002 0.000 0.214 648 L C 2.086 178.903 176.870 -0.088 0.000 1.076 648 L CA 1.936 56.711 54.840 -0.109 0.000 0.758 648 L CB -0.623 41.411 42.059 -0.042 0.000 0.890 648 L HN 0.495 nan 8.230 nan 0.000 0.433 649 N N -0.962 117.682 118.700 -0.094 0.000 2.459 649 N HA -0.105 4.636 4.740 0.002 0.000 0.181 649 N C 0.374 175.842 175.510 -0.071 0.000 1.046 649 N CA 0.152 53.161 53.050 -0.068 0.000 0.904 649 N CB 0.064 38.515 38.487 -0.061 0.000 0.964 649 N HN 0.391 nan 8.380 nan 0.000 0.444 650 Q N 1.208 120.948 119.800 -0.100 0.000 3.184 650 Q HA 0.044 4.385 4.340 0.002 0.000 0.288 650 Q C 1.178 177.139 176.000 -0.065 0.000 1.412 650 Q CA -0.267 55.484 55.803 -0.086 0.000 0.991 650 Q CB 0.244 28.913 28.738 -0.116 0.000 1.688 650 Q HN 0.330 nan 8.270 nan 0.000 0.554 651 V N -1.640 118.248 119.914 -0.044 0.000 2.867 651 V HA -0.210 3.911 4.120 0.002 0.000 0.260 651 V C 1.425 177.507 176.094 -0.019 0.000 1.099 651 V CA 1.857 64.141 62.300 -0.028 0.000 1.122 651 V CB -0.310 31.503 31.823 -0.016 0.000 0.708 651 V HN 0.575 nan 8.190 nan 0.000 0.490 652 D N 0.495 120.881 120.400 -0.022 0.000 2.340 652 D HA 0.061 4.703 4.640 0.002 0.000 0.220 652 D C 1.087 177.379 176.300 -0.013 0.000 1.039 652 D CA 0.757 54.748 54.000 -0.016 0.000 0.866 652 D CB 0.271 41.062 40.800 -0.016 0.000 0.913 652 D HN 0.547 nan 8.370 nan 0.000 0.523 653 S N 0.201 115.889 115.700 -0.021 0.000 2.549 653 S HA 0.431 4.902 4.470 0.002 0.000 0.297 653 S C -1.966 172.639 174.600 0.008 0.000 1.115 653 S CA -1.614 56.579 58.200 -0.011 0.000 1.059 653 S CB 1.904 65.081 63.200 -0.040 0.000 1.046 653 S HN -0.292 nan 8.310 nan 0.000 0.506 654 P HA -0.091 nan 4.420 nan 0.000 0.218 654 P C 1.551 178.925 177.300 0.124 0.000 1.148 654 P CA 0.562 63.715 63.100 0.088 0.000 0.822 654 P CB -0.008 31.762 31.700 0.117 0.000 0.784 655 V N 0.615 120.580 119.914 0.085 0.000 2.453 655 V HA -0.279 3.842 4.120 0.002 0.000 0.252 655 V C 2.259 178.274 176.094 -0.131 0.000 1.068 655 V CA 2.715 64.974 62.300 -0.069 0.000 1.070 655 V CB -1.289 30.315 31.823 -0.364 0.000 0.664 655 V HN 0.271 nan 8.190 nan 0.000 0.461 656 S N -0.475 115.166 115.700 -0.098 0.000 2.419 656 S HA -0.123 4.348 4.470 0.002 0.000 0.233 656 S C 1.808 176.411 174.600 0.004 0.000 1.016 656 S CA 1.770 59.922 58.200 -0.079 0.000 0.974 656 S CB -0.607 62.556 63.200 -0.062 0.000 0.786 656 S HN 0.633 nan 8.310 nan 0.000 0.492 657 I N 2.581 123.178 120.570 0.045 0.000 2.286 657 I HA -0.118 4.053 4.170 0.002 0.000 0.245 657 I C 3.083 179.270 176.117 0.117 0.000 1.104 657 I CA 1.515 62.855 61.300 0.067 0.000 1.397 657 I CB -0.877 37.161 38.000 0.064 0.000 1.072 657 I HN 0.511 nan 8.210 nan 0.000 0.417 658 T N -0.751 113.921 114.554 0.197 0.000 2.951 658 T HA 0.002 4.354 4.350 0.002 0.000 0.268 658 T C 1.989 176.909 174.700 0.367 0.000 1.073 658 T CA 0.844 63.113 62.100 0.281 0.000 1.134 658 T CB -0.300 68.820 68.868 0.420 0.000 0.884 658 T HN 0.292 nan 8.240 nan 0.000 0.479 659 A N 1.160 124.195 122.820 0.359 0.000 1.933 659 A HA 0.082 4.403 4.320 0.002 0.000 0.218 659 A C 2.587 180.357 177.584 0.309 0.000 1.175 659 A CA 1.582 53.868 52.037 0.415 0.000 0.628 659 A CB -1.034 18.023 19.000 0.095 0.000 0.814 659 A HN 0.440 nan 8.150 nan 0.000 0.444 660 V N -0.112 119.901 119.914 0.164 0.000 2.427 660 V HA -0.152 3.969 4.120 0.002 0.000 0.248 660 V C 2.795 178.940 176.094 0.085 0.000 1.051 660 V CA 1.764 64.119 62.300 0.091 0.000 1.048 660 V CB -1.436 30.392 31.823 0.008 0.000 0.666 660 V HN 0.604 nan 8.190 nan 0.000 0.456 661 G N -0.513 108.353 108.800 0.111 0.000 2.446 661 G HA2 -0.337 3.624 3.960 0.002 0.000 0.217 661 G HA3 -0.337 3.624 3.960 0.002 0.000 0.217 661 G C 1.570 176.516 174.900 0.077 0.000 1.168 661 G CA 1.055 46.200 45.100 0.074 0.000 0.771 661 G HN 0.514 nan 8.290 nan 0.000 0.551 662 F N 1.328 121.306 119.950 0.048 0.000 2.161 662 F HA -0.021 4.508 4.527 0.002 0.000 0.300 662 F C 2.354 178.170 175.800 0.027 0.000 1.089 662 F CA 1.191 59.203 58.000 0.021 0.000 1.282 662 F CB -0.067 38.988 39.000 0.092 0.000 1.010 662 F HN 0.122 nan 8.300 nan 0.000 0.485 663 I N 0.127 120.743 120.570 0.077 0.000 2.315 663 I HA -0.243 3.929 4.170 0.002 0.000 0.248 663 I C 2.704 178.670 176.117 -0.251 0.000 1.117 663 I CA 0.992 62.267 61.300 -0.042 0.000 1.404 663 I CB -0.893 37.184 38.000 0.128 0.000 1.071 663 I HN 0.241 nan 8.210 nan 0.000 0.419 664 A N 0.814 123.526 122.820 -0.180 0.000 1.883 664 A HA -0.241 4.080 4.320 0.002 0.000 0.217 664 A C 1.965 179.389 177.584 -0.265 0.000 1.186 664 A CA 2.153 54.066 52.037 -0.207 0.000 0.624 664 A CB -0.602 18.321 19.000 -0.128 0.000 0.822 664 A HN 0.337 nan 8.150 nan 0.000 0.444 665 D N 0.317 120.552 120.400 -0.274 0.000 2.078 665 D HA -0.149 4.493 4.640 0.002 0.000 0.193 665 D C 1.854 177.952 176.300 -0.338 0.000 0.990 665 D CA 1.901 55.733 54.000 -0.281 0.000 0.827 665 D CB -0.620 40.015 40.800 -0.275 0.000 0.975 665 D HN 0.576 nan 8.370 nan 0.000 0.451 666 I N 0.627 120.899 120.570 -0.498 0.000 2.493 666 I HA -0.151 4.020 4.170 0.002 0.000 0.254 666 I C 2.206 178.133 176.117 -0.317 0.000 1.160 666 I CA 0.848 61.928 61.300 -0.366 0.000 1.445 666 I CB -1.405 36.370 38.000 -0.375 0.000 1.086 666 I HN -0.089 nan 8.210 nan 0.000 0.433 667 S N 1.304 116.629 115.700 -0.625 0.000 2.382 667 S HA -0.169 4.303 4.470 0.002 0.000 0.228 667 S C 1.875 176.253 174.600 -0.371 0.000 1.027 667 S CA 1.312 58.951 58.200 -0.934 0.000 0.991 667 S CB -0.870 61.588 63.200 -1.235 0.000 0.823 667 S HN 0.550 nan 8.310 nan 0.000 0.469 668 N N 1.996 120.531 118.700 -0.274 0.000 2.171 668 N HA -0.024 4.717 4.740 0.002 0.000 0.184 668 N C 2.219 177.673 175.510 -0.093 0.000 1.021 668 N CA 1.645 54.603 53.050 -0.154 0.000 0.854 668 N CB -0.554 37.849 38.487 -0.141 0.000 0.994 668 N HN 0.754 nan 8.380 nan 0.000 0.426 669 S N 0.995 116.637 115.700 -0.095 0.000 2.362 669 S HA 0.048 4.519 4.470 0.002 0.000 0.221 669 S C 1.148 175.752 174.600 0.008 0.000 1.032 669 S CA 0.108 58.282 58.200 -0.042 0.000 0.973 669 S CB -0.649 62.524 63.200 -0.045 0.000 0.849 669 S HN 0.111 nan 8.310 nan 0.000 0.465 670 L N 1.698 122.943 121.223 0.036 0.000 2.461 670 L HA 0.312 4.653 4.340 0.002 0.000 0.272 670 L C 1.526 178.448 176.870 0.088 0.000 1.197 670 L CA -0.195 54.711 54.840 0.109 0.000 0.836 670 L CB 0.318 42.511 42.059 0.222 0.000 1.105 670 L HN 0.316 nan 8.230 nan 0.000 0.477 671 E N 1.133 121.395 120.200 0.105 0.000 2.343 671 E HA 0.018 4.369 4.350 0.002 0.000 0.223 671 E C 1.086 177.772 176.600 0.143 0.000 0.977 671 E CA 0.250 56.701 56.400 0.084 0.000 1.027 671 E CB 0.250 29.981 29.700 0.052 0.000 1.769 671 E HN 0.663 nan 8.360 nan 0.000 0.531 672 E N 0.926 121.204 120.200 0.129 0.000 2.474 672 E HA -0.034 4.317 4.350 0.002 0.000 0.194 672 E C 0.713 177.406 176.600 0.155 0.000 1.041 672 E CA 0.123 56.609 56.400 0.143 0.000 0.874 672 E CB 0.253 30.012 29.700 0.098 0.000 0.914 672 E HN 0.144 nan 8.360 nan 0.000 0.498 673 D N 0.178 120.680 120.400 0.170 0.000 2.348 673 D HA -0.110 4.531 4.640 0.002 0.000 0.216 673 D C 1.144 177.616 176.300 0.286 0.000 0.970 673 D CA 0.384 54.492 54.000 0.179 0.000 0.889 673 D CB -0.080 40.827 40.800 0.178 0.000 0.912 673 D HN 0.147 nan 8.370 nan 0.000 0.524 674 F N 1.876 121.942 119.950 0.195 0.000 2.293 674 F HA -0.056 4.473 4.527 0.002 0.000 0.300 674 F C 1.967 177.897 175.800 0.216 0.000 1.086 674 F CA 0.887 59.055 58.000 0.280 0.000 1.375 674 F CB 0.077 39.185 39.000 0.181 0.000 1.045 674 F HN -0.211 nan 8.300 nan 0.000 0.516 675 R N -0.026 120.550 120.500 0.127 0.000 2.133 675 R HA -0.265 4.076 4.340 0.002 0.000 0.247 675 R C 2.410 178.624 176.300 -0.143 0.000 1.151 675 R CA 1.806 57.913 56.100 0.012 0.000 0.971 675 R CB -0.557 29.779 30.300 0.060 0.000 0.866 675 R HN 0.298 nan 8.270 nan 0.000 0.447 676 R N 0.097 120.455 120.500 -0.237 0.000 2.117 676 R HA -0.192 4.149 4.340 0.002 0.000 0.243 676 R C 1.044 176.981 176.300 -0.606 0.000 1.143 676 R CA 1.788 57.601 56.100 -0.478 0.000 0.968 676 R CB -0.038 29.820 30.300 -0.736 0.000 0.863 676 R HN 0.333 nan 8.270 nan 0.000 0.444 677 Y N -0.906 119.208 120.300 -0.309 0.000 2.458 677 Y HA 0.159 4.710 4.550 0.002 0.000 0.256 677 Y C 2.287 177.854 175.900 -0.555 0.000 1.159 677 Y CA 0.289 58.166 58.100 -0.372 0.000 1.261 677 Y CB 0.106 38.375 38.460 -0.318 0.000 1.119 677 Y HN 0.087 nan 8.280 nan 0.000 0.524 678 S N 1.038 116.411 115.700 -0.545 0.000 2.369 678 S HA -0.270 4.201 4.470 0.002 0.000 0.225 678 S C 1.675 176.190 174.600 -0.141 0.000 1.043 678 S CA 2.439 60.417 58.200 -0.370 0.000 1.074 678 S CB -0.422 62.724 63.200 -0.090 0.000 0.962 678 S HN 0.415 nan 8.310 nan 0.000 0.433 679 D N 1.759 122.130 120.400 -0.047 0.000 2.097 679 D HA 0.016 4.658 4.640 0.002 0.000 0.195 679 D C 2.430 178.742 176.300 0.019 0.000 0.989 679 D CA 1.538 55.570 54.000 0.052 0.000 0.827 679 D CB -1.026 39.850 40.800 0.128 0.000 0.966 679 D HN 0.561 nan 8.370 nan 0.000 0.456 680 A N 0.877 123.706 122.820 0.015 0.000 1.917 680 A HA -0.228 4.094 4.320 0.002 0.000 0.219 680 A C 2.145 179.755 177.584 0.043 0.000 1.182 680 A CA 1.735 53.793 52.037 0.035 0.000 0.633 680 A CB -0.419 18.612 19.000 0.050 0.000 0.819 680 A HN 0.110 nan 8.150 nan 0.000 0.448 681 M N -1.433 118.195 119.600 0.048 0.000 2.123 681 M HA -0.033 4.448 4.480 0.002 0.000 0.263 681 M C 2.295 178.632 176.300 0.062 0.000 1.069 681 M CA 1.231 56.593 55.300 0.103 0.000 1.133 681 M CB -1.163 31.572 32.600 0.225 0.000 1.356 681 M HN 0.333 nan 8.290 nan 0.000 0.415 682 M N 0.375 119.950 119.600 -0.040 0.000 2.080 682 M HA -0.217 4.264 4.480 0.002 0.000 0.260 682 M C 1.851 178.127 176.300 -0.041 0.000 1.068 682 M CA 1.554 56.765 55.300 -0.149 0.000 1.109 682 M CB -1.787 30.339 32.600 -0.790 0.000 1.342 682 M HN 0.422 nan 8.290 nan 0.000 0.405 683 N N -0.111 118.585 118.700 -0.007 0.000 2.094 683 N HA -0.150 4.591 4.740 0.002 0.000 0.191 683 N C 1.691 177.235 175.510 0.057 0.000 1.023 683 N CA 1.428 54.513 53.050 0.059 0.000 0.857 683 N CB -0.039 38.490 38.487 0.070 0.000 1.013 683 N HN 0.169 nan 8.380 nan 0.000 0.426 684 V N 1.541 121.486 119.914 0.051 0.000 2.548 684 V HA -0.122 3.999 4.120 0.002 0.000 0.249 684 V C 2.197 178.324 176.094 0.056 0.000 1.055 684 V CA 1.031 63.359 62.300 0.046 0.000 1.065 684 V CB -0.328 31.518 31.823 0.039 0.000 0.681 684 V HN 0.255 nan 8.190 nan 0.000 0.462 685 L N 0.111 121.382 121.223 0.080 0.000 2.023 685 L HA -0.047 4.295 4.340 0.002 0.000 0.205 685 L C 2.807 179.772 176.870 0.160 0.000 1.073 685 L CA 1.475 56.367 54.840 0.088 0.000 0.745 685 L CB -0.853 41.260 42.059 0.090 0.000 0.900 685 L HN 0.313 nan 8.230 nan 0.000 0.435 686 A N -0.371 122.583 122.820 0.224 0.000 1.917 686 A HA -0.336 3.986 4.320 0.002 0.000 0.219 686 A C 2.229 179.889 177.584 0.127 0.000 1.182 686 A CA 2.286 54.449 52.037 0.208 0.000 0.633 686 A CB -0.710 18.363 19.000 0.121 0.000 0.819 686 A HN 0.543 nan 8.150 nan 0.000 0.448 687 Q N -1.015 118.839 119.800 0.091 0.000 1.967 687 Q HA -0.186 4.155 4.340 0.002 0.000 0.202 687 Q C 2.157 178.189 176.000 0.052 0.000 0.985 687 Q CA 1.903 57.742 55.803 0.061 0.000 0.839 687 Q CB -0.242 28.523 28.738 0.045 0.000 0.906 687 Q HN 0.654 nan 8.270 nan 0.000 0.423 688 M N 0.232 119.859 119.600 0.044 0.000 2.146 688 M HA -0.238 4.243 4.480 0.002 0.000 0.256 688 M C 2.233 178.551 176.300 0.030 0.000 1.075 688 M CA 1.273 56.588 55.300 0.026 0.000 1.082 688 M CB -0.298 32.308 32.600 0.010 0.000 1.355 688 M HN 0.439 nan 8.290 nan 0.000 0.402 689 I N -0.468 120.132 120.570 0.051 0.000 2.353 689 I HA -0.172 3.999 4.170 0.002 0.000 0.248 689 I C 1.529 177.679 176.117 0.056 0.000 1.119 689 I CA 1.476 62.810 61.300 0.057 0.000 1.417 689 I CB -0.270 37.784 38.000 0.091 0.000 1.078 689 I HN 0.155 nan 8.210 nan 0.000 0.421 690 S N 0.892 116.626 115.700 0.058 0.000 2.660 690 S HA -0.024 4.447 4.470 0.002 0.000 0.223 690 S C 0.688 175.308 174.600 0.034 0.000 0.963 690 S CA -0.131 58.097 58.200 0.047 0.000 0.932 690 S CB -0.929 62.300 63.200 0.047 0.000 0.775 690 S HN 0.459 nan 8.310 nan 0.000 0.531 691 N N 1.844 120.561 118.700 0.029 0.000 2.488 691 N HA 0.173 4.914 4.740 0.002 0.000 0.274 691 N C -1.828 173.691 175.510 0.016 0.000 1.111 691 N CA -1.802 51.259 53.050 0.018 0.000 0.974 691 N CB 1.009 39.503 38.487 0.012 0.000 1.089 691 N HN -0.142 nan 8.380 nan 0.000 0.465 692 P HA -0.149 nan 4.420 nan 0.000 0.217 692 P C -0.046 177.256 177.300 0.003 0.000 1.148 692 P CA 1.288 64.393 63.100 0.008 0.000 0.828 692 P CB 0.222 31.925 31.700 0.005 0.000 0.783 693 N N -1.053 117.647 118.700 0.001 0.000 2.299 693 N HA 0.134 4.875 4.740 0.002 0.000 0.187 693 N C 0.492 175.999 175.510 -0.004 0.000 1.099 693 N CA -0.069 52.979 53.050 -0.004 0.000 0.867 693 N CB 0.235 38.718 38.487 -0.007 0.000 0.974 693 N HN 0.057 nan 8.380 nan 0.000 0.477 694 A N 2.159 124.981 122.820 0.003 0.000 2.546 694 A HA 0.062 4.383 4.320 0.002 0.000 0.243 694 A C 0.748 178.336 177.584 0.007 0.000 1.063 694 A CA -0.066 51.975 52.037 0.006 0.000 0.757 694 A CB 0.305 19.315 19.000 0.016 0.000 0.991 694 A HN 0.165 nan 8.150 nan 0.000 0.503 695 R N 1.626 122.129 120.500 0.006 0.000 2.827 695 R HA 0.069 4.411 4.340 0.002 0.000 0.269 695 R C 1.091 177.405 176.300 0.023 0.000 1.048 695 R CA -0.195 55.907 56.100 0.004 0.000 1.173 695 R CB 0.338 30.643 30.300 0.009 0.000 1.070 695 R HN 0.852 nan 8.270 nan 0.000 0.498 696 R N 1.287 121.783 120.500 -0.007 0.000 2.091 696 R HA -0.192 4.149 4.340 0.002 0.000 0.238 696 R C 1.817 178.256 176.300 0.233 0.000 1.136 696 R CA 2.025 58.131 56.100 0.009 0.000 0.959 696 R CB -0.066 30.082 30.300 -0.253 0.000 0.856 696 R HN 0.600 nan 8.270 nan 0.000 0.437 697 E N 0.135 120.421 120.200 0.145 0.000 2.268 697 E HA -0.168 4.183 4.350 0.002 0.000 0.195 697 E C 1.514 178.165 176.600 0.085 0.000 0.995 697 E CA 0.574 57.057 56.400 0.139 0.000 0.836 697 E CB -0.051 29.697 29.700 0.080 0.000 0.763 697 E HN 0.127 nan 8.360 nan 0.000 0.491 698 L N 0.940 122.203 121.223 0.066 0.000 2.240 698 L HA -0.046 4.295 4.340 0.002 0.000 0.211 698 L C 1.997 178.871 176.870 0.006 0.000 1.106 698 L CA 1.581 56.436 54.840 0.024 0.000 0.793 698 L CB -0.224 41.845 42.059 0.017 0.000 0.927 698 L HN -0.035 nan 8.230 nan 0.000 0.446 699 K N 0.021 120.450 120.400 0.048 0.000 1.985 699 K HA -0.099 4.222 4.320 0.002 0.000 0.210 699 K C -0.634 175.941 176.600 -0.041 0.000 1.047 699 K CA 1.691 57.995 56.287 0.028 0.000 0.932 699 K CB -1.002 31.559 32.500 0.102 0.000 0.716 699 K HN 0.241 nan 8.250 nan 0.000 0.439 700 P HA -0.101 nan 4.420 nan 0.000 0.217 700 P C 1.067 178.303 177.300 -0.108 0.000 1.151 700 P CA 1.727 64.757 63.100 -0.117 0.000 0.828 700 P CB -0.073 31.532 31.700 -0.158 0.000 0.788 701 A N 0.084 122.856 122.820 -0.080 0.000 1.908 701 A HA -0.137 4.185 4.320 0.002 0.000 0.218 701 A C 2.464 179.952 177.584 -0.161 0.000 1.181 701 A CA 2.017 54.001 52.037 -0.088 0.000 0.627 701 A CB -1.677 17.296 19.000 -0.045 0.000 0.818 701 A HN 0.078 nan 8.150 nan 0.000 0.445 702 V N -0.217 119.573 119.914 -0.207 0.000 2.379 702 V HA -0.208 3.913 4.120 0.002 0.000 0.245 702 V C 2.540 178.243 176.094 -0.651 0.000 1.044 702 V CA 1.734 63.785 62.300 -0.416 0.000 1.036 702 V CB -0.735 30.884 31.823 -0.341 0.000 0.664 702 V HN 0.553 nan 8.190 nan 0.000 0.453 703 L N -0.148 120.880 121.223 -0.325 0.000 2.012 703 L HA -0.199 4.142 4.340 0.002 0.000 0.210 703 L C 2.643 179.436 176.870 -0.129 0.000 1.073 703 L CA 1.898 56.655 54.840 -0.138 0.000 0.748 703 L CB -0.566 41.446 42.059 -0.077 0.000 0.891 703 L HN 0.291 nan 8.230 nan 0.000 0.431 704 S N -1.055 114.550 115.700 -0.158 0.000 2.368 704 S HA -0.159 4.312 4.470 0.002 0.000 0.224 704 S C 1.885 176.417 174.600 -0.115 0.000 1.029 704 S CA 1.123 59.253 58.200 -0.116 0.000 0.988 704 S CB -0.184 62.955 63.200 -0.102 0.000 0.838 704 S HN 0.247 nan 8.310 nan 0.000 0.462 705 V N 1.387 121.186 119.914 -0.191 0.000 2.759 705 V HA -0.097 4.025 4.120 0.002 0.000 0.256 705 V C 1.600 177.654 176.094 -0.068 0.000 1.080 705 V CA 1.314 63.516 62.300 -0.164 0.000 1.101 705 V CB -0.745 30.962 31.823 -0.194 0.000 0.698 705 V HN 0.376 nan 8.190 nan 0.000 0.477 706 F N 1.317 121.274 119.950 0.012 0.000 2.134 706 F HA -0.007 4.521 4.527 0.002 0.000 0.299 706 F C 2.435 178.222 175.800 -0.021 0.000 1.097 706 F CA 1.191 59.240 58.000 0.082 0.000 1.264 706 F CB -1.618 37.444 39.000 0.103 0.000 1.001 706 F HN 0.248 nan 8.300 nan 0.000 0.479 707 G N 0.012 108.867 108.800 0.092 0.000 2.514 707 G HA2 -0.277 3.684 3.960 0.002 0.000 0.217 707 G HA3 -0.277 3.684 3.960 0.002 0.000 0.217 707 G C 1.550 176.416 174.900 -0.056 0.000 1.198 707 G CA 1.259 46.340 45.100 -0.033 0.000 0.780 707 G HN 0.264 nan 8.290 nan 0.000 0.565 708 D N 0.550 120.918 120.400 -0.052 0.000 2.126 708 D HA -0.137 4.504 4.640 0.002 0.000 0.190 708 D C 2.583 178.838 176.300 -0.075 0.000 1.001 708 D CA 1.167 55.116 54.000 -0.085 0.000 0.841 708 D CB -0.135 40.590 40.800 -0.126 0.000 0.949 708 D HN 0.384 nan 8.370 nan 0.000 0.446 709 I N 1.315 121.887 120.570 0.004 0.000 2.163 709 I HA -0.230 3.941 4.170 0.002 0.000 0.240 709 I C 2.717 178.932 176.117 0.163 0.000 1.081 709 I CA 0.901 62.282 61.300 0.135 0.000 1.353 709 I CB -0.334 37.881 38.000 0.359 0.000 1.054 709 I HN -0.091 nan 8.210 nan 0.000 0.407 710 A N 1.052 123.839 122.820 -0.054 0.000 1.884 710 A HA -0.314 4.008 4.320 0.002 0.000 0.219 710 A C 2.523 179.991 177.584 -0.192 0.000 1.197 710 A CA 2.889 54.599 52.037 -0.545 0.000 0.637 710 A CB -1.097 17.206 19.000 -1.161 0.000 0.827 710 A HN 0.554 nan 8.150 nan 0.000 0.450 711 S N 0.067 115.692 115.700 -0.125 0.000 2.383 711 S HA -0.177 4.295 4.470 0.002 0.000 0.227 711 S C 1.532 176.127 174.600 -0.008 0.000 1.026 711 S CA 1.525 59.690 58.200 -0.060 0.000 0.981 711 S CB -0.848 62.319 63.200 -0.055 0.000 0.818 711 S HN 0.682 nan 8.310 nan 0.000 0.472 712 N N 0.686 119.391 118.700 0.009 0.000 2.409 712 N HA 0.204 4.945 4.740 0.002 0.000 0.179 712 N C 1.129 176.709 175.510 0.116 0.000 1.032 712 N CA 0.917 53.994 53.050 0.046 0.000 0.898 712 N CB 0.026 38.523 38.487 0.017 0.000 0.971 712 N HN 0.361 nan 8.380 nan 0.000 0.441 713 I N -0.531 120.134 120.570 0.157 0.000 4.070 713 I HA 0.214 4.386 4.170 0.002 0.000 0.328 713 I C 1.761 177.992 176.117 0.191 0.000 1.298 713 I CA 0.336 61.770 61.300 0.224 0.000 1.173 713 I CB -1.164 37.045 38.000 0.349 0.000 1.051 713 I HN 0.086 nan 8.210 nan 0.000 0.409 714 G N 2.410 111.295 108.800 0.142 0.000 2.672 714 G HA2 -0.438 3.523 3.960 0.002 0.000 0.324 714 G HA3 -0.438 3.523 3.960 0.002 0.000 0.324 714 G C 1.390 176.398 174.900 0.180 0.000 1.286 714 G CA 1.512 46.689 45.100 0.128 0.000 1.004 714 G HN 0.430 nan 8.290 nan 0.000 0.548 715 A N -0.949 121.960 122.820 0.148 0.000 1.986 715 A HA -0.082 4.239 4.320 0.002 0.000 0.220 715 A C 2.045 179.731 177.584 0.171 0.000 1.171 715 A CA 2.723 54.848 52.037 0.147 0.000 0.640 715 A CB -0.637 18.426 19.000 0.105 0.000 0.811 715 A HN 0.813 nan 8.150 nan 0.000 0.451 716 D N -1.807 118.701 120.400 0.180 0.000 2.351 716 D HA -0.090 4.551 4.640 0.002 0.000 0.216 716 D C 1.273 177.728 176.300 0.259 0.000 0.968 716 D CA 0.504 54.612 54.000 0.180 0.000 0.899 716 D CB -0.306 40.593 40.800 0.165 0.000 0.907 716 D HN 0.476 nan 8.370 nan 0.000 0.514 717 F N 0.121 120.174 119.950 0.172 0.000 2.558 717 F HA 0.101 4.630 4.527 0.002 0.000 0.298 717 F C 1.854 177.759 175.800 0.174 0.000 1.119 717 F CA 0.387 58.520 58.000 0.223 0.000 1.451 717 F CB 0.070 39.166 39.000 0.160 0.000 1.091 717 F HN -0.072 nan 8.300 nan 0.000 0.563 718 I N 1.047 121.759 120.570 0.237 0.000 2.208 718 I HA -0.238 3.933 4.170 0.002 0.000 0.245 718 I C -0.544 175.564 176.117 -0.014 0.000 1.097 718 I CA 1.099 62.491 61.300 0.152 0.000 1.363 718 I CB -1.820 36.264 38.000 0.139 0.000 1.051 718 I HN 0.052 nan 8.210 nan 0.000 0.413 719 P HA -0.212 nan 4.420 nan 0.000 0.217 719 P C 1.043 178.063 177.300 -0.468 0.000 1.151 719 P CA 1.759 64.654 63.100 -0.342 0.000 0.849 719 P CB -0.160 31.216 31.700 -0.539 0.000 0.787 720 Y N -2.388 117.729 120.300 -0.305 0.000 2.466 720 Y HA 0.109 4.660 4.550 0.002 0.000 0.272 720 Y C 1.992 177.634 175.900 -0.430 0.000 1.169 720 Y CA -0.369 57.462 58.100 -0.449 0.000 1.285 720 Y CB -0.847 37.164 38.460 -0.748 0.000 1.078 720 Y HN -0.125 nan 8.280 nan 0.000 0.523 721 L N 1.054 122.196 121.223 -0.135 0.000 1.955 721 L HA -0.265 4.076 4.340 0.002 0.000 0.213 721 L C 2.349 179.152 176.870 -0.113 0.000 1.072 721 L CA 1.942 56.775 54.840 -0.012 0.000 0.755 721 L CB -1.028 41.078 42.059 0.079 0.000 0.888 721 L HN 0.320 nan 8.230 nan 0.000 0.432 722 N N -0.443 118.242 118.700 -0.026 0.000 2.094 722 N HA -0.241 4.500 4.740 0.002 0.000 0.191 722 N C 1.410 176.920 175.510 0.000 0.000 1.023 722 N CA 2.172 55.255 53.050 0.056 0.000 0.857 722 N CB -0.148 38.423 38.487 0.139 0.000 1.013 722 N HN 0.537 nan 8.380 nan 0.000 0.426 723 D N 0.160 120.536 120.400 -0.039 0.000 2.097 723 D HA -0.071 4.570 4.640 0.002 0.000 0.197 723 D C 1.960 178.194 176.300 -0.110 0.000 0.984 723 D CA 0.747 54.718 54.000 -0.050 0.000 0.826 723 D CB -0.109 40.666 40.800 -0.041 0.000 0.973 723 D HN 0.231 nan 8.370 nan 0.000 0.460 724 I N 0.553 121.001 120.570 -0.202 0.000 2.286 724 I HA -0.183 3.989 4.170 0.002 0.000 0.248 724 I C 2.011 178.039 176.117 -0.149 0.000 1.115 724 I CA 1.026 62.140 61.300 -0.310 0.000 1.392 724 I CB -0.292 37.450 38.000 -0.429 0.000 1.065 724 I HN 0.060 nan 8.210 nan 0.000 0.418 725 M N -0.333 119.198 119.600 -0.115 0.000 2.213 725 M HA -0.129 4.352 4.480 0.002 0.000 0.263 725 M C 2.449 178.769 176.300 0.034 0.000 1.062 725 M CA 1.678 56.947 55.300 -0.052 0.000 1.105 725 M CB -1.508 30.947 32.600 -0.242 0.000 1.385 725 M HN 0.302 nan 8.290 nan 0.000 0.417 726 A N 0.432 123.267 122.820 0.025 0.000 1.877 726 A HA -0.126 4.196 4.320 0.002 0.000 0.216 726 A C 2.313 179.916 177.584 0.031 0.000 1.186 726 A CA 1.286 53.350 52.037 0.046 0.000 0.620 726 A CB -0.908 18.116 19.000 0.040 0.000 0.822 726 A HN 0.450 nan 8.150 nan 0.000 0.443 727 L N -0.216 121.009 121.223 0.003 0.000 2.042 727 L HA -0.188 4.153 4.340 0.002 0.000 0.210 727 L C 1.480 178.359 176.870 0.015 0.000 1.076 727 L CA 1.207 56.061 54.840 0.022 0.000 0.749 727 L CB -0.516 41.565 42.059 0.036 0.000 0.893 727 L HN 0.718 nan 8.230 nan 0.000 0.432 728 C N -2.112 117.173 119.300 -0.026 0.000 2.328 728 C HA 0.610 5.071 4.460 0.002 0.000 0.446 728 C C 0.948 175.941 174.990 0.005 0.000 1.090 728 C CA -0.789 58.173 59.018 -0.092 0.000 1.510 728 C CB -0.610 26.951 27.740 -0.299 0.000 1.543 728 C HN 0.224 nan 8.230 nan 0.000 0.533 729 V N 1.283 121.228 119.914 0.052 0.000 3.339 729 V HA 0.186 4.307 4.120 0.002 0.000 0.201 729 V C 2.413 178.555 176.094 0.079 0.000 1.489 729 V CA 1.089 63.452 62.300 0.105 0.000 1.228 729 V CB -0.743 31.152 31.823 0.120 0.000 1.152 729 V HN 0.578 nan 8.190 nan 0.000 0.519 730 A N 0.551 123.407 122.820 0.060 0.000 1.940 730 A HA -0.104 4.218 4.320 0.002 0.000 0.219 730 A C 2.189 179.802 177.584 0.048 0.000 1.176 730 A CA 2.691 54.760 52.037 0.053 0.000 0.631 730 A CB -0.596 18.433 19.000 0.048 0.000 0.814 730 A HN 0.774 nan 8.150 nan 0.000 0.446 731 A N 0.061 122.899 122.820 0.031 0.000 1.929 731 A HA -0.149 4.172 4.320 0.002 0.000 0.216 731 A C 2.190 179.794 177.584 0.033 0.000 1.176 731 A CA 1.555 53.601 52.037 0.016 0.000 0.628 731 A CB -0.585 18.399 19.000 -0.027 0.000 0.816 731 A HN 0.784 nan 8.150 nan 0.000 0.444 732 Q N -0.666 119.166 119.800 0.054 0.000 2.297 732 Q HA -0.046 4.295 4.340 0.002 0.000 0.204 732 Q C 0.193 176.279 176.000 0.144 0.000 0.962 732 Q CA 1.210 57.104 55.803 0.152 0.000 0.879 732 Q CB -0.278 28.623 28.738 0.271 0.000 0.947 732 Q HN 0.519 nan 8.270 nan 0.000 0.462 733 N N 1.055 119.814 118.700 0.099 0.000 2.295 733 N HA 0.070 4.812 4.740 0.002 0.000 0.221 733 N C -0.732 174.814 175.510 0.061 0.000 1.129 733 N CA 0.195 53.291 53.050 0.075 0.000 0.836 733 N CB 0.984 39.511 38.487 0.066 0.000 1.040 733 N HN 0.095 nan 8.380 nan 0.000 0.494 734 T N 2.036 116.628 114.554 0.064 0.000 2.727 734 T HA 0.186 4.537 4.350 0.002 0.000 0.298 734 T C 0.621 175.357 174.700 0.061 0.000 0.942 734 T CA -0.453 61.684 62.100 0.061 0.000 0.997 734 T CB 1.147 70.053 68.868 0.065 0.000 0.917 734 T HN -0.120 nan 8.240 nan 0.000 0.487 735 K N 3.591 124.023 120.400 0.054 0.000 2.138 735 K HA 0.355 4.676 4.320 0.002 0.000 0.251 735 K C -2.441 174.196 176.600 0.062 0.000 1.015 735 K CA -2.482 53.835 56.287 0.049 0.000 0.917 735 K CB -0.087 32.436 32.500 0.037 0.000 1.021 735 K HN 0.266 nan 8.250 nan 0.000 0.485 736 P HA 0.025 nan 4.420 nan 0.000 0.266 736 P C 0.339 177.672 177.300 0.055 0.000 1.195 736 P CA 0.102 63.244 63.100 0.070 0.000 0.768 736 P CB 0.400 32.133 31.700 0.055 0.000 0.838 737 E N 1.717 121.951 120.200 0.056 0.000 2.160 737 E HA -0.186 4.165 4.350 0.002 0.000 0.195 737 E C 0.692 177.301 176.600 0.016 0.000 0.991 737 E CA 1.117 57.533 56.400 0.028 0.000 0.810 737 E CB -0.199 29.501 29.700 0.001 0.000 0.742 737 E HN 0.554 nan 8.360 nan 0.000 0.466 738 N N -1.135 117.576 118.700 0.017 0.000 3.585 738 N HA 0.142 4.883 4.740 0.002 0.000 0.298 738 N C 0.586 176.106 175.510 0.017 0.000 1.392 738 N CA 0.076 53.133 53.050 0.012 0.000 0.683 738 N CB 0.023 38.511 38.487 0.003 0.000 3.422 738 N HN 0.015 nan 8.380 nan 0.000 0.473 739 G N -0.242 108.566 108.800 0.013 0.000 4.165 739 G HA2 0.247 4.209 3.960 0.002 0.000 0.287 739 G HA3 0.247 4.209 3.960 0.002 0.000 0.287 739 G C -0.023 174.885 174.900 0.014 0.000 1.019 739 G CA 0.399 45.508 45.100 0.015 0.000 0.806 739 G HN 0.830 nan 8.290 nan 0.000 0.447 740 T N -0.806 113.756 114.554 0.013 0.000 2.788 740 T HA 0.402 4.753 4.350 0.002 0.000 0.280 740 T C 2.058 176.767 174.700 0.016 0.000 0.984 740 T CA -0.021 62.085 62.100 0.010 0.000 0.972 740 T CB 0.960 69.830 68.868 0.004 0.000 1.039 740 T HN 0.185 nan 8.240 nan 0.000 0.530 741 L N 0.085 121.316 121.223 0.013 0.000 2.054 741 L HA -0.217 4.124 4.340 0.002 0.000 0.240 741 L C 2.481 179.369 176.870 0.029 0.000 1.107 741 L CA 2.149 56.999 54.840 0.017 0.000 0.833 741 L CB -2.000 40.066 42.059 0.012 0.000 0.929 741 L HN 0.792 nan 8.230 nan 0.000 0.447 742 E N 0.114 120.332 120.200 0.030 0.000 2.106 742 E HA -0.126 4.225 4.350 0.002 0.000 0.192 742 E C 2.336 178.987 176.600 0.084 0.000 0.984 742 E CA 0.891 57.323 56.400 0.053 0.000 0.806 742 E CB -0.343 29.370 29.700 0.022 0.000 0.750 742 E HN 0.579 nan 8.360 nan 0.000 0.458 743 A N 1.154 124.006 122.820 0.054 0.000 1.909 743 A HA -0.260 4.061 4.320 0.002 0.000 0.221 743 A C 2.087 179.734 177.584 0.104 0.000 1.223 743 A CA 1.800 53.877 52.037 0.068 0.000 0.658 743 A CB -0.606 18.417 19.000 0.039 0.000 0.831 743 A HN 0.137 nan 8.150 nan 0.000 0.462 744 L N -0.978 120.289 121.223 0.073 0.000 2.168 744 L HA 0.012 4.354 4.340 0.002 0.000 0.203 744 L C 1.977 178.884 176.870 0.063 0.000 1.078 744 L CA 1.509 56.386 54.840 0.060 0.000 0.780 744 L CB -0.583 41.495 42.059 0.032 0.000 0.939 744 L HN 0.219 nan 8.230 nan 0.000 0.451 745 D N -1.108 119.332 120.400 0.067 0.000 2.133 745 D HA -0.276 4.366 4.640 0.002 0.000 0.195 745 D C 2.022 178.372 176.300 0.083 0.000 0.997 745 D CA 1.429 55.466 54.000 0.062 0.000 0.840 745 D CB -0.131 40.707 40.800 0.063 0.000 0.947 745 D HN 0.354 nan 8.370 nan 0.000 0.452 746 Y N 0.969 121.273 120.300 0.006 0.000 2.220 746 Y HA -0.099 4.452 4.550 0.002 0.000 0.291 746 Y C 2.338 178.246 175.900 0.013 0.000 1.129 746 Y CA 1.390 59.495 58.100 0.007 0.000 1.161 746 Y CB -0.094 38.369 38.460 0.005 0.000 0.997 746 Y HN -0.105 nan 8.280 nan 0.000 0.522 747 Q N -0.024 119.821 119.800 0.076 0.000 2.135 747 Q HA -0.201 4.140 4.340 0.002 0.000 0.204 747 Q C 2.013 177.980 176.000 -0.055 0.000 0.981 747 Q CA 2.005 57.810 55.803 0.003 0.000 0.856 747 Q CB -0.173 28.605 28.738 0.067 0.000 0.902 747 Q HN 0.550 nan 8.270 nan 0.000 0.425 748 I N 1.187 121.738 120.570 -0.031 0.000 2.133 748 I HA -0.265 3.907 4.170 0.002 0.000 0.238 748 I C 2.280 178.363 176.117 -0.056 0.000 1.074 748 I CA 1.449 62.736 61.300 -0.021 0.000 1.342 748 I CB -0.433 37.563 38.000 -0.006 0.000 1.053 748 I HN 0.078 nan 8.210 nan 0.000 0.404 749 K N -0.128 120.210 120.400 -0.103 0.000 2.144 749 K HA -0.215 4.106 4.320 0.002 0.000 0.209 749 K C 2.029 178.511 176.600 -0.197 0.000 1.047 749 K CA 1.733 57.934 56.287 -0.143 0.000 0.927 749 K CB -0.395 32.001 32.500 -0.173 0.000 0.716 749 K HN 0.212 nan 8.250 nan 0.000 0.454 750 V N 1.253 120.992 119.914 -0.292 0.000 2.453 750 V HA -0.188 3.933 4.120 0.002 0.000 0.247 750 V C 2.114 178.136 176.094 -0.121 0.000 1.048 750 V CA 1.341 63.489 62.300 -0.253 0.000 1.049 750 V CB -0.298 31.342 31.823 -0.305 0.000 0.672 750 V HN 0.252 nan 8.190 nan 0.000 0.457 751 L N -0.369 120.832 121.223 -0.037 0.000 2.072 751 L HA -0.125 4.216 4.340 0.002 0.000 0.205 751 L C 2.541 179.487 176.870 0.125 0.000 1.079 751 L CA 1.521 56.427 54.840 0.110 0.000 0.752 751 L CB -0.528 41.650 42.059 0.198 0.000 0.906 751 L HN 0.333 nan 8.230 nan 0.000 0.436 752 E N 0.157 120.395 120.200 0.063 0.000 2.153 752 E HA -0.197 4.154 4.350 0.002 0.000 0.194 752 E C 2.273 178.857 176.600 -0.027 0.000 0.988 752 E CA 1.045 57.477 56.400 0.055 0.000 0.811 752 E CB -0.154 29.561 29.700 0.025 0.000 0.746 752 E HN 0.498 nan 8.360 nan 0.000 0.466 753 A N 0.922 123.691 122.820 -0.084 0.000 1.930 753 A HA -0.110 4.212 4.320 0.002 0.000 0.217 753 A C 2.473 179.936 177.584 -0.200 0.000 1.175 753 A CA 0.839 52.801 52.037 -0.125 0.000 0.627 753 A CB -0.514 18.406 19.000 -0.133 0.000 0.815 753 A HN 0.100 nan 8.150 nan 0.000 0.443 754 V N 0.088 119.828 119.914 -0.291 0.000 2.255 754 V HA -0.286 3.835 4.120 0.002 0.000 0.247 754 V C 2.485 178.159 176.094 -0.699 0.000 1.051 754 V CA 2.030 63.976 62.300 -0.591 0.000 1.018 754 V CB -0.744 30.605 31.823 -0.791 0.000 0.641 754 V HN 0.642 nan 8.190 nan 0.000 0.445 755 L N -0.131 120.828 121.223 -0.439 0.000 2.013 755 L HA -0.270 4.071 4.340 0.002 0.000 0.212 755 L C 2.454 179.276 176.870 -0.080 0.000 1.073 755 L CA 2.193 56.963 54.840 -0.118 0.000 0.753 755 L CB -0.636 41.542 42.059 0.200 0.000 0.890 755 L HN 0.404 nan 8.230 nan 0.000 0.432 756 D N -0.090 120.258 120.400 -0.087 0.000 2.172 756 D HA -0.216 4.425 4.640 0.002 0.000 0.196 756 D C 2.072 178.325 176.300 -0.079 0.000 0.999 756 D CA 1.573 55.536 54.000 -0.062 0.000 0.856 756 D CB -0.008 40.752 40.800 -0.067 0.000 0.934 756 D HN 0.501 nan 8.370 nan 0.000 0.453 757 A N -0.238 122.488 122.820 -0.156 0.000 1.930 757 A HA -0.141 4.181 4.320 0.002 0.000 0.215 757 A C 1.893 179.423 177.584 -0.090 0.000 1.176 757 A CA 0.748 52.703 52.037 -0.135 0.000 0.632 757 A CB -0.705 18.199 19.000 -0.160 0.000 0.819 757 A HN 0.168 nan 8.150 nan 0.000 0.445 758 Y N -0.209 120.029 120.300 -0.104 0.000 2.242 758 Y HA -0.087 4.464 4.550 0.002 0.000 0.291 758 Y C 2.590 178.463 175.900 -0.045 0.000 1.137 758 Y CA 0.555 58.604 58.100 -0.085 0.000 1.181 758 Y CB -0.947 37.458 38.460 -0.093 0.000 0.989 758 Y HN 0.092 nan 8.280 nan 0.000 0.527 759 V N -0.576 119.411 119.914 0.121 0.000 2.358 759 V HA -0.220 3.901 4.120 0.002 0.000 0.246 759 V C 2.509 178.621 176.094 0.030 0.000 1.047 759 V CA 1.984 64.330 62.300 0.076 0.000 1.035 759 V CB -1.299 30.559 31.823 0.060 0.000 0.658 759 V HN 0.505 nan 8.190 nan 0.000 0.452 760 G N -0.543 108.249 108.800 -0.012 0.000 2.422 760 G HA2 -0.154 3.807 3.960 0.002 0.000 0.218 760 G HA3 -0.154 3.807 3.960 0.002 0.000 0.218 760 G C 1.560 176.391 174.900 -0.115 0.000 1.140 760 G CA 0.744 45.806 45.100 -0.063 0.000 0.775 760 G HN 0.471 nan 8.290 nan 0.000 0.545 761 I N 0.194 120.696 120.570 -0.114 0.000 2.162 761 I HA -0.123 4.048 4.170 0.002 0.000 0.238 761 I C 2.775 178.873 176.117 -0.032 0.000 1.076 761 I CA 0.452 61.661 61.300 -0.151 0.000 1.353 761 I CB -0.383 37.570 38.000 -0.077 0.000 1.063 761 I HN -0.011 nan 8.210 nan 0.000 0.408 762 V N 1.238 121.174 119.914 0.037 0.000 2.317 762 V HA -0.388 3.733 4.120 0.002 0.000 0.251 762 V C 2.649 178.787 176.094 0.072 0.000 1.065 762 V CA 2.215 64.557 62.300 0.071 0.000 1.049 762 V CB -1.122 30.757 31.823 0.093 0.000 0.651 762 V HN 0.543 nan 8.190 nan 0.000 0.450 763 A N 0.265 123.117 122.820 0.053 0.000 1.845 763 A HA -0.079 4.242 4.320 0.002 0.000 0.215 763 A C 2.482 180.098 177.584 0.052 0.000 1.195 763 A CA 1.909 53.981 52.037 0.060 0.000 0.616 763 A CB -1.407 17.607 19.000 0.023 0.000 0.832 763 A HN 0.536 nan 8.150 nan 0.000 0.443 764 G N -0.506 108.294 108.800 -0.000 0.000 2.469 764 G HA2 -0.118 3.843 3.960 0.002 0.000 0.220 764 G HA3 -0.118 3.843 3.960 0.002 0.000 0.220 764 G C 1.078 176.011 174.900 0.054 0.000 1.136 764 G CA 1.059 46.160 45.100 0.002 0.000 0.759 764 G HN 0.443 nan 8.290 nan 0.000 0.562 765 L N 0.250 121.511 121.223 0.064 0.000 3.062 765 L HA 0.276 4.617 4.340 0.002 0.000 0.255 765 L C 1.709 178.626 176.870 0.079 0.000 1.274 765 L CA -0.484 54.408 54.840 0.088 0.000 1.047 765 L CB -0.062 42.058 42.059 0.101 0.000 1.402 765 L HN 0.211 nan 8.230 nan 0.000 0.550 766 H N 1.535 120.607 119.070 0.004 0.000 2.289 766 H HA -0.202 4.356 4.556 0.002 0.000 0.296 766 H C 1.130 176.435 175.328 -0.037 0.000 1.091 766 H CA 2.271 58.308 56.048 -0.019 0.000 1.274 766 H CB 0.463 30.224 29.762 -0.002 0.000 1.364 766 H HN 0.413 nan 8.280 nan 0.000 0.490 767 D N 0.638 121.157 120.400 0.198 0.000 2.178 767 D HA -0.092 4.549 4.640 0.002 0.000 0.201 767 D C 0.548 176.879 176.300 0.053 0.000 0.980 767 D CA 0.979 55.052 54.000 0.121 0.000 0.842 767 D CB 0.091 40.948 40.800 0.094 0.000 0.948 767 D HN 0.272 nan 8.370 nan 0.000 0.472 768 K N 1.216 121.647 120.400 0.051 0.000 2.655 768 K HA 0.178 4.499 4.320 0.002 0.000 0.213 768 K C -1.886 174.744 176.600 0.050 0.000 1.126 768 K CA -1.361 54.961 56.287 0.059 0.000 1.076 768 K CB 1.750 34.307 32.500 0.096 0.000 1.644 768 K HN 0.066 nan 8.250 nan 0.000 0.523 769 P HA -0.215 nan 4.420 nan 0.000 0.217 769 P C 1.171 178.643 177.300 0.287 0.000 1.150 769 P CA 1.241 64.270 63.100 -0.118 0.000 0.832 769 P CB 0.339 31.736 31.700 -0.505 0.000 0.787 770 E N 1.238 121.563 120.200 0.209 0.000 2.097 770 E HA -0.211 4.141 4.350 0.002 0.000 0.196 770 E C 1.953 178.722 176.600 0.282 0.000 1.000 770 E CA 1.954 58.488 56.400 0.224 0.000 0.804 770 E CB -1.410 28.352 29.700 0.104 0.000 0.740 770 E HN 0.211 nan 8.360 nan 0.000 0.454 771 A N 1.155 124.126 122.820 0.252 0.000 1.968 771 A HA 0.002 4.323 4.320 0.002 0.000 0.217 771 A C 2.241 180.057 177.584 0.387 0.000 1.169 771 A CA 1.151 53.354 52.037 0.278 0.000 0.638 771 A CB -0.479 18.655 19.000 0.223 0.000 0.812 771 A HN 0.267 nan 8.150 nan 0.000 0.446 772 L N -1.763 119.703 121.223 0.404 0.000 2.313 772 L HA 0.107 4.448 4.340 0.002 0.000 0.214 772 L C 1.974 179.136 176.870 0.486 0.000 1.119 772 L CA 1.252 56.369 54.840 0.460 0.000 0.809 772 L CB -0.692 41.602 42.059 0.391 0.000 0.933 772 L HN 0.411 nan 8.230 nan 0.000 0.449 773 F N 2.310 122.475 119.950 0.357 0.000 2.063 773 F HA -0.162 4.366 4.527 0.002 0.000 0.298 773 F C -0.562 175.209 175.800 -0.049 0.000 1.109 773 F CA 1.859 59.912 58.000 0.088 0.000 1.212 773 F CB -1.572 37.485 39.000 0.096 0.000 0.973 773 F HN 0.206 nan 8.300 nan 0.000 0.480 774 P HA -0.141 nan 4.420 nan 0.000 0.236 774 P C -0.013 176.890 177.300 -0.662 0.000 1.172 774 P CA 1.567 64.423 63.100 -0.407 0.000 0.759 774 P CB -0.508 30.923 31.700 -0.449 0.000 0.843 775 Y N -2.818 117.426 120.300 -0.093 0.000 2.527 775 Y HA 0.111 4.662 4.550 0.002 0.000 0.247 775 Y C 2.197 177.987 175.900 -0.183 0.000 1.138 775 Y CA -0.234 57.810 58.100 -0.093 0.000 1.228 775 Y CB -0.420 38.027 38.460 -0.022 0.000 1.252 775 Y HN -0.313 nan 8.280 nan 0.000 0.531 776 V N 0.267 120.072 119.914 -0.182 0.000 2.231 776 V HA -0.329 3.792 4.120 0.002 0.000 0.248 776 V C 2.563 178.413 176.094 -0.406 0.000 1.054 776 V CA 2.512 64.620 62.300 -0.321 0.000 1.015 776 V CB -1.164 30.307 31.823 -0.586 0.000 0.638 776 V HN 0.579 nan 8.190 nan 0.000 0.444 777 G N -0.766 107.798 108.800 -0.394 0.000 2.505 777 G HA2 -0.317 3.644 3.960 0.002 0.000 0.220 777 G HA3 -0.317 3.644 3.960 0.002 0.000 0.220 777 G C 1.668 176.560 174.900 -0.013 0.000 1.145 777 G CA 1.777 46.802 45.100 -0.126 0.000 0.761 777 G HN 0.484 nan 8.290 nan 0.000 0.571 778 T N 1.090 115.631 114.554 -0.021 0.000 2.720 778 T HA -0.053 4.299 4.350 0.002 0.000 0.268 778 T C 2.380 177.034 174.700 -0.077 0.000 1.037 778 T CA 1.131 63.238 62.100 0.012 0.000 1.144 778 T CB -0.133 68.779 68.868 0.075 0.000 0.864 778 T HN 0.297 nan 8.240 nan 0.000 0.444 779 I N -0.334 120.092 120.570 -0.240 0.000 2.233 779 I HA -0.053 4.118 4.170 0.002 0.000 0.243 779 I C 1.977 178.015 176.117 -0.132 0.000 1.093 779 I CA 1.202 62.245 61.300 -0.429 0.000 1.380 779 I CB -0.373 37.320 38.000 -0.511 0.000 1.067 779 I HN 0.142 nan 8.210 nan 0.000 0.413 780 F N 1.093 120.933 119.950 -0.184 0.000 2.202 780 F HA -0.265 4.263 4.527 0.002 0.000 0.301 780 F C 2.736 178.589 175.800 0.087 0.000 1.082 780 F CA 1.638 59.624 58.000 -0.024 0.000 1.313 780 F CB -0.356 38.539 39.000 -0.175 0.000 1.024 780 F HN 0.125 nan 8.300 nan 0.000 0.495 781 Q N -0.725 119.179 119.800 0.173 0.000 2.119 781 Q HA -0.237 4.105 4.340 0.002 0.000 0.201 781 Q C 2.188 178.207 176.000 0.031 0.000 0.972 781 Q CA 1.495 57.333 55.803 0.057 0.000 0.847 781 Q CB -0.321 28.457 28.738 0.066 0.000 0.903 781 Q HN 0.462 nan 8.270 nan 0.000 0.433 782 F N 0.563 120.505 119.950 -0.014 0.000 2.259 782 F HA -0.079 4.449 4.527 0.002 0.000 0.298 782 F C 1.632 177.423 175.800 -0.016 0.000 1.088 782 F CA 0.903 58.921 58.000 0.030 0.000 1.358 782 F CB -0.005 39.109 39.000 0.191 0.000 1.040 782 F HN 0.029 nan 8.300 nan 0.000 0.505 783 I N 0.236 120.753 120.570 -0.089 0.000 2.286 783 I HA -0.288 3.883 4.170 0.002 0.000 0.248 783 I C 2.706 178.679 176.117 -0.241 0.000 1.115 783 I CA 1.111 62.309 61.300 -0.171 0.000 1.392 783 I CB -0.980 36.970 38.000 -0.083 0.000 1.065 783 I HN 0.208 nan 8.210 nan 0.000 0.418 784 A N 0.367 122.980 122.820 -0.345 0.000 1.908 784 A HA -0.286 4.035 4.320 0.002 0.000 0.218 784 A C 2.274 179.582 177.584 -0.461 0.000 1.181 784 A CA 1.753 53.335 52.037 -0.758 0.000 0.627 784 A CB -0.648 17.743 19.000 -1.014 0.000 0.818 784 A HN 0.492 nan 8.150 nan 0.000 0.445 785 Q N -0.540 119.022 119.800 -0.396 0.000 2.084 785 Q HA -0.133 4.208 4.340 0.002 0.000 0.202 785 Q C 2.200 178.016 176.000 -0.307 0.000 0.978 785 Q CA 1.718 57.325 55.803 -0.325 0.000 0.844 785 Q CB -0.440 28.090 28.738 -0.345 0.000 0.898 785 Q HN 0.537 nan 8.270 nan 0.000 0.426 786 V N 1.207 120.855 119.914 -0.444 0.000 2.233 786 V HA -0.324 3.797 4.120 0.002 0.000 0.247 786 V C 2.363 178.398 176.094 -0.097 0.000 1.050 786 V CA 1.957 64.089 62.300 -0.280 0.000 1.010 786 V CB -1.206 30.424 31.823 -0.321 0.000 0.637 786 V HN 0.426 nan 8.190 nan 0.000 0.444 787 A N -0.537 122.084 122.820 -0.333 0.000 1.948 787 A HA -0.298 4.023 4.320 0.002 0.000 0.220 787 A C 2.139 179.716 177.584 -0.012 0.000 1.177 787 A CA 2.372 54.244 52.037 -0.274 0.000 0.636 787 A CB -0.519 18.322 19.000 -0.265 0.000 0.815 787 A HN 0.579 nan 8.150 nan 0.000 0.449 788 E N 0.115 120.307 120.200 -0.013 0.000 2.028 788 E HA -0.043 4.308 4.350 0.002 0.000 0.190 788 E C 0.430 177.159 176.600 0.216 0.000 0.984 788 E CA 0.893 57.325 56.400 0.053 0.000 0.800 788 E CB 0.002 29.672 29.700 -0.051 0.000 0.758 788 E HN 0.505 nan 8.360 nan 0.000 0.448 789 D N -0.618 119.874 120.400 0.154 0.000 2.316 789 D HA 0.065 4.707 4.640 0.002 0.000 0.245 789 D C -1.952 174.284 176.300 -0.106 0.000 1.171 789 D CA -2.281 51.757 54.000 0.064 0.000 0.856 789 D CB 1.369 42.158 40.800 -0.018 0.000 1.090 789 D HN -0.170 nan 8.370 nan 0.000 0.476 790 P HA -0.163 nan 4.420 nan 0.000 0.216 790 P C 0.993 177.957 177.300 -0.561 0.000 1.150 790 P CA 1.363 63.897 63.100 -0.944 0.000 0.843 790 P CB 0.300 31.764 31.700 -0.394 0.000 0.787 791 Q N -1.345 118.300 119.800 -0.258 0.000 2.291 791 Q HA -0.102 4.239 4.340 0.002 0.000 0.206 791 Q C 1.948 177.883 176.000 -0.108 0.000 0.976 791 Q CA 1.005 56.722 55.803 -0.143 0.000 0.875 791 Q CB -0.481 28.213 28.738 -0.074 0.000 0.927 791 Q HN 0.305 nan 8.270 nan 0.000 0.450 792 L N -1.214 119.939 121.223 -0.116 0.000 2.115 792 L HA -0.050 4.291 4.340 0.002 0.000 0.200 792 L C 2.324 179.221 176.870 0.045 0.000 1.094 792 L CA 0.780 55.606 54.840 -0.024 0.000 0.769 792 L CB -0.786 41.257 42.059 -0.026 0.000 0.931 792 L HN 0.283 nan 8.230 nan 0.000 0.455 793 Y N 0.209 120.583 120.300 0.123 0.000 2.274 793 Y HA -0.166 4.385 4.550 0.002 0.000 0.290 793 Y C 2.653 178.769 175.900 0.359 0.000 1.145 793 Y CA 0.867 59.118 58.100 0.253 0.000 1.203 793 Y CB -1.444 37.212 38.460 0.327 0.000 0.984 793 Y HN 0.210 nan 8.280 nan 0.000 0.533 794 S N -0.720 114.933 115.700 -0.078 0.000 2.453 794 S HA -0.090 4.381 4.470 0.002 0.000 0.231 794 S C 0.663 175.337 174.600 0.123 0.000 1.005 794 S CA 0.281 58.505 58.200 0.040 0.000 0.949 794 S CB -0.505 62.564 63.200 -0.219 0.000 0.774 794 S HN 0.463 nan 8.310 nan 0.000 0.510 795 E N 2.057 122.324 120.200 0.112 0.000 2.299 795 E HA 0.096 4.448 4.350 0.002 0.000 0.272 795 E C 0.334 177.072 176.600 0.230 0.000 1.043 795 E CA 0.059 56.533 56.400 0.124 0.000 0.895 795 E CB 1.262 31.006 29.700 0.073 0.000 1.011 795 E HN 0.402 nan 8.360 nan 0.000 0.432 796 D N 3.860 124.398 120.400 0.230 0.000 2.092 796 D HA -0.189 4.452 4.640 0.002 0.000 0.193 796 D C 1.696 178.103 176.300 0.178 0.000 0.994 796 D CA 1.952 56.129 54.000 0.294 0.000 0.828 796 D CB 0.232 41.163 40.800 0.219 0.000 0.963 796 D HN 0.517 nan 8.370 nan 0.000 0.450 797 A N -0.679 122.215 122.820 0.122 0.000 1.908 797 A HA -0.200 4.121 4.320 0.002 0.000 0.218 797 A C 2.390 180.032 177.584 0.096 0.000 1.181 797 A CA 2.471 54.561 52.037 0.088 0.000 0.627 797 A CB -1.135 17.904 19.000 0.065 0.000 0.818 797 A HN 0.363 nan 8.150 nan 0.000 0.445 798 T N -0.424 114.199 114.554 0.116 0.000 2.777 798 T HA -0.088 4.263 4.350 0.002 0.000 0.266 798 T C 2.259 177.049 174.700 0.150 0.000 1.040 798 T CA 1.637 63.815 62.100 0.130 0.000 1.141 798 T CB -0.263 68.682 68.868 0.128 0.000 0.868 798 T HN 0.453 nan 8.240 nan 0.000 0.444 799 S N 0.514 116.307 115.700 0.156 0.000 2.368 799 S HA -0.021 4.450 4.470 0.002 0.000 0.224 799 S C 2.125 176.742 174.600 0.029 0.000 1.029 799 S CA 0.873 59.142 58.200 0.115 0.000 0.988 799 S CB -0.153 62.993 63.200 -0.089 0.000 0.838 799 S HN 0.396 nan 8.310 nan 0.000 0.462 800 R N 1.280 121.788 120.500 0.012 0.000 2.081 800 R HA -0.060 4.282 4.340 0.002 0.000 0.235 800 R C 2.252 178.590 176.300 0.062 0.000 1.131 800 R CA 1.460 57.569 56.100 0.015 0.000 0.960 800 R CB -0.489 29.828 30.300 0.028 0.000 0.856 800 R HN 0.351 nan 8.270 nan 0.000 0.436 801 A N 0.578 123.449 122.820 0.084 0.000 1.873 801 A HA -0.065 4.256 4.320 0.002 0.000 0.215 801 A C 2.382 180.040 177.584 0.124 0.000 1.186 801 A CA 1.610 53.707 52.037 0.100 0.000 0.616 801 A CB -1.050 18.012 19.000 0.103 0.000 0.823 801 A HN 0.535 nan 8.150 nan 0.000 0.442 802 A N -0.689 122.220 122.820 0.148 0.000 1.849 802 A HA -0.133 4.189 4.320 0.002 0.000 0.217 802 A C 2.320 179.993 177.584 0.148 0.000 1.202 802 A CA 2.067 54.199 52.037 0.157 0.000 0.629 802 A CB -1.329 17.784 19.000 0.187 0.000 0.834 802 A HN 0.875 nan 8.150 nan 0.000 0.447 803 V N 0.098 120.125 119.914 0.189 0.000 2.720 803 V HA -0.085 4.036 4.120 0.002 0.000 0.256 803 V C 2.301 178.469 176.094 0.122 0.000 1.082 803 V CA 2.203 64.582 62.300 0.133 0.000 1.101 803 V CB -0.752 31.066 31.823 -0.007 0.000 0.693 803 V HN 0.610 nan 8.190 nan 0.000 0.479 804 G N -0.613 108.270 108.800 0.137 0.000 2.403 804 G HA2 -0.158 3.803 3.960 0.002 0.000 0.216 804 G HA3 -0.158 3.803 3.960 0.002 0.000 0.216 804 G C 1.489 176.504 174.900 0.191 0.000 1.154 804 G CA 0.881 46.098 45.100 0.195 0.000 0.784 804 G HN 0.511 nan 8.290 nan 0.000 0.538 805 L N 0.197 121.492 121.223 0.120 0.000 2.017 805 L HA -0.043 4.298 4.340 0.002 0.000 0.208 805 L C 2.841 179.745 176.870 0.056 0.000 1.073 805 L CA 0.798 55.685 54.840 0.077 0.000 0.745 805 L CB -0.392 41.675 42.059 0.013 0.000 0.894 805 L HN 0.183 nan 8.230 nan 0.000 0.432 806 I N -0.155 120.412 120.570 -0.005 0.000 2.151 806 I HA -0.289 3.883 4.170 0.002 0.000 0.243 806 I C 2.565 178.836 176.117 0.256 0.000 1.080 806 I CA 1.701 63.025 61.300 0.041 0.000 1.339 806 I CB -0.916 37.097 38.000 0.022 0.000 1.039 806 I HN 0.322 nan 8.210 nan 0.000 0.409 807 G N 0.101 108.988 108.800 0.146 0.000 2.394 807 G HA2 -0.196 3.765 3.960 0.002 0.000 0.214 807 G HA3 -0.196 3.765 3.960 0.002 0.000 0.214 807 G C 1.243 176.223 174.900 0.133 0.000 1.176 807 G CA 0.748 45.832 45.100 -0.027 0.000 0.786 807 G HN 0.268 nan 8.290 nan 0.000 0.533 808 D N 0.560 121.155 120.400 0.325 0.000 2.144 808 D HA -0.034 4.608 4.640 0.002 0.000 0.200 808 D C 2.526 178.946 176.300 0.200 0.000 0.978 808 D CA 0.308 54.500 54.000 0.320 0.000 0.833 808 D CB -0.121 40.844 40.800 0.275 0.000 0.961 808 D HN 0.335 nan 8.370 nan 0.000 0.470 809 I N 1.114 121.821 120.570 0.230 0.000 2.179 809 I HA -0.282 3.889 4.170 0.002 0.000 0.242 809 I C 2.454 178.786 176.117 0.360 0.000 1.088 809 I CA 1.008 62.498 61.300 0.316 0.000 1.357 809 I CB -0.263 37.967 38.000 0.383 0.000 1.051 809 I HN -0.065 nan 8.210 nan 0.000 0.409 810 A N 0.923 123.918 122.820 0.291 0.000 1.903 810 A HA -0.283 4.038 4.320 0.002 0.000 0.219 810 A C 2.463 180.017 177.584 -0.050 0.000 1.191 810 A CA 2.236 54.234 52.037 -0.065 0.000 0.638 810 A CB -0.967 17.754 19.000 -0.466 0.000 0.823 810 A HN 0.476 nan 8.150 nan 0.000 0.451 811 A N -1.485 121.319 122.820 -0.028 0.000 2.172 811 A HA 0.049 4.370 4.320 0.002 0.000 0.216 811 A C 2.077 179.583 177.584 -0.130 0.000 1.154 811 A CA 1.544 53.572 52.037 -0.014 0.000 0.701 811 A CB -0.481 18.627 19.000 0.181 0.000 0.789 811 A HN 0.573 nan 8.150 nan 0.000 0.465 812 M N -2.199 117.265 119.600 -0.227 0.000 2.501 812 M HA 0.194 4.675 4.480 0.002 0.000 0.261 812 M C -0.500 175.431 176.300 -0.615 0.000 1.129 812 M CA 0.711 55.681 55.300 -0.551 0.000 1.126 812 M CB 0.406 32.561 32.600 -0.741 0.000 1.359 812 M HN 0.360 nan 8.290 nan 0.000 0.471 813 F N 0.707 120.662 119.950 0.008 0.000 2.471 813 F HA 0.320 4.849 4.527 0.002 0.000 0.318 813 F C -1.844 173.960 175.800 0.006 0.000 1.308 813 F CA -2.130 55.898 58.000 0.048 0.000 1.162 813 F CB 0.234 39.319 39.000 0.141 0.000 1.383 813 F HN -0.061 nan 8.300 nan 0.000 0.552 814 P HA 0.034 nan 4.420 nan 0.000 0.255 814 P C -0.077 177.250 177.300 0.044 0.000 1.427 814 P CA 0.434 63.554 63.100 0.033 0.000 0.863 814 P CB 0.033 31.734 31.700 0.002 0.000 1.444 815 D N -2.151 118.301 120.400 0.085 0.000 2.538 815 D HA 0.190 4.831 4.640 0.002 0.000 0.231 815 D C 1.288 177.628 176.300 0.066 0.000 1.229 815 D CA -0.520 53.517 54.000 0.062 0.000 0.828 815 D CB -0.723 40.111 40.800 0.058 0.000 1.035 815 D HN 0.100 nan 8.370 nan 0.000 0.495 816 G N 0.461 109.306 108.800 0.076 0.000 2.168 816 G HA2 -0.383 3.578 3.960 0.002 0.000 0.257 816 G HA3 -0.383 3.578 3.960 0.002 0.000 0.257 816 G C 1.206 176.161 174.900 0.091 0.000 0.997 816 G CA 0.648 45.787 45.100 0.065 0.000 0.708 816 G HN 0.339 nan 8.290 nan 0.000 0.520 817 S N -0.453 115.333 115.700 0.143 0.000 2.419 817 S HA -0.020 4.451 4.470 0.002 0.000 0.233 817 S C 2.005 176.734 174.600 0.216 0.000 1.016 817 S CA 1.387 59.696 58.200 0.183 0.000 0.974 817 S CB -0.154 63.178 63.200 0.220 0.000 0.786 817 S HN 1.259 nan 8.310 nan 0.000 0.492 818 I N -1.165 119.504 120.570 0.165 0.000 4.225 818 I HA 0.322 4.493 4.170 0.002 0.000 0.327 818 I C 1.269 177.529 176.117 0.238 0.000 1.422 818 I CA -0.359 61.053 61.300 0.187 0.000 1.150 818 I CB 0.117 38.179 38.000 0.103 0.000 1.192 818 I HN 0.030 nan 8.210 nan 0.000 0.440 819 K N 1.859 122.347 120.400 0.147 0.000 2.360 819 K HA -0.166 4.156 4.320 0.002 0.000 0.201 819 K C 1.799 178.426 176.600 0.044 0.000 1.046 819 K CA 1.538 57.910 56.287 0.143 0.000 0.945 819 K CB -0.255 32.276 32.500 0.052 0.000 0.750 819 K HN 0.615 nan 8.250 nan 0.000 0.464 820 Q N 0.666 120.399 119.800 -0.113 0.000 2.364 820 Q HA -0.141 4.200 4.340 0.002 0.000 0.207 820 Q C 1.274 177.035 176.000 -0.400 0.000 0.970 820 Q CA 1.179 56.822 55.803 -0.266 0.000 0.888 820 Q CB -0.334 28.188 28.738 -0.360 0.000 0.951 820 Q HN 0.452 nan 8.270 nan 0.000 0.469 821 F N -0.007 119.753 119.950 -0.318 0.000 2.234 821 F HA 0.020 4.548 4.527 0.002 0.000 0.296 821 F C 1.397 176.807 175.800 -0.650 0.000 1.089 821 F CA 0.678 58.276 58.000 -0.670 0.000 1.343 821 F CB -0.360 37.794 39.000 -1.411 0.000 1.040 821 F HN -0.006 nan 8.300 nan 0.000 0.498 822 Y N -0.638 119.580 120.300 -0.137 0.000 2.529 822 Y HA 0.155 4.706 4.550 0.002 0.000 0.290 822 Y C 2.234 178.068 175.900 -0.109 0.000 1.177 822 Y CA 0.466 58.508 58.100 -0.096 0.000 1.305 822 Y CB -0.535 37.900 38.460 -0.041 0.000 1.047 822 Y HN 0.011 nan 8.280 nan 0.000 0.522 823 G N -0.826 107.963 108.800 -0.018 0.000 3.088 823 G HA2 0.039 4.000 3.960 0.002 0.000 0.217 823 G HA3 0.039 4.000 3.960 0.002 0.000 0.217 823 G C 0.382 175.238 174.900 -0.073 0.000 1.159 823 G CA -0.260 44.816 45.100 -0.041 0.000 0.760 823 G HN 0.246 nan 8.290 nan 0.000 0.550 824 Q N 0.382 120.105 119.800 -0.128 0.000 2.354 824 Q HA 0.173 4.514 4.340 0.002 0.000 0.244 824 Q C 0.210 176.129 176.000 -0.136 0.000 0.969 824 Q CA -0.485 55.256 55.803 -0.103 0.000 0.885 824 Q CB 1.230 29.917 28.738 -0.085 0.000 1.241 824 Q HN 0.018 nan 8.270 nan 0.000 0.461 825 D N 1.482 121.882 120.400 -0.001 0.000 2.123 825 D HA -0.128 4.513 4.640 0.002 0.000 0.200 825 D C 1.823 178.147 176.300 0.040 0.000 0.976 825 D CA 0.954 54.969 54.000 0.024 0.000 0.831 825 D CB -0.112 40.734 40.800 0.077 0.000 0.974 825 D HN 0.748 nan 8.370 nan 0.000 0.469 826 W N 1.714 123.032 121.300 0.030 0.000 2.350 826 W HA -0.136 4.525 4.660 0.002 0.000 0.289 826 W C 1.394 177.961 176.519 0.080 0.000 1.215 826 W CA 0.490 57.857 57.345 0.037 0.000 1.236 826 W CB -1.201 28.265 29.460 0.011 0.000 1.130 826 W HN -0.185 nan 8.180 nan 0.000 0.541 827 V N 2.425 121.841 119.914 -0.831 0.000 2.323 827 V HA -0.306 3.815 4.120 0.002 0.000 0.244 827 V C 2.685 178.648 176.094 -0.217 0.000 1.041 827 V CA 2.099 63.971 62.300 -0.714 0.000 1.025 827 V CB -0.858 30.483 31.823 -0.802 0.000 0.656 827 V HN 0.073 nan 8.190 nan 0.000 0.451 828 I N 0.271 120.746 120.570 -0.159 0.000 2.226 828 I HA -0.228 3.943 4.170 0.002 0.000 0.245 828 I C 2.259 178.359 176.117 -0.027 0.000 1.100 828 I CA 1.655 62.916 61.300 -0.064 0.000 1.374 828 I CB -0.598 37.376 38.000 -0.044 0.000 1.057 828 I HN 0.343 nan 8.210 nan 0.000 0.413 829 D N 0.038 120.442 120.400 0.006 0.000 2.178 829 D HA -0.200 4.441 4.640 0.002 0.000 0.202 829 D C 1.942 178.281 176.300 0.065 0.000 0.974 829 D CA 1.225 55.250 54.000 0.042 0.000 0.841 829 D CB -0.151 40.696 40.800 0.078 0.000 0.953 829 D HN 0.360 nan 8.370 nan 0.000 0.478 830 Y N 1.516 121.793 120.300 -0.038 0.000 2.220 830 Y HA -0.067 4.484 4.550 0.002 0.000 0.291 830 Y C 2.154 178.009 175.900 -0.075 0.000 1.129 830 Y CA 0.889 58.963 58.100 -0.044 0.000 1.161 830 Y CB -0.338 38.120 38.460 -0.003 0.000 0.997 830 Y HN -0.139 nan 8.280 nan 0.000 0.522 831 I N 0.028 120.508 120.570 -0.151 0.000 2.286 831 I HA -0.305 3.867 4.170 0.002 0.000 0.248 831 I C 2.340 178.340 176.117 -0.195 0.000 1.115 831 I CA 1.474 62.645 61.300 -0.216 0.000 1.392 831 I CB -0.358 37.586 38.000 -0.093 0.000 1.065 831 I HN 0.109 nan 8.210 nan 0.000 0.418 832 K N 0.606 120.936 120.400 -0.116 0.000 2.057 832 K HA -0.096 4.225 4.320 0.002 0.000 0.206 832 K C 2.241 178.796 176.600 -0.076 0.000 1.050 832 K CA 1.143 57.386 56.287 -0.073 0.000 0.935 832 K CB -0.085 32.396 32.500 -0.031 0.000 0.715 832 K HN 0.257 nan 8.250 nan 0.000 0.439 833 R N -0.012 120.429 120.500 -0.098 0.000 2.152 833 R HA -0.069 4.272 4.340 0.002 0.000 0.232 833 R C 1.958 178.242 176.300 -0.027 0.000 1.117 833 R CA 1.338 57.414 56.100 -0.039 0.000 0.981 833 R CB -0.310 29.968 30.300 -0.036 0.000 0.870 833 R HN 0.190 nan 8.270 nan 0.000 0.451 834 T N 0.543 114.922 114.554 -0.292 0.000 2.985 834 T HA 0.010 4.361 4.350 0.002 0.000 0.266 834 T C 1.455 176.064 174.700 -0.153 0.000 1.076 834 T CA 0.760 62.568 62.100 -0.487 0.000 1.135 834 T CB 0.029 68.465 68.868 -0.720 0.000 0.890 834 T HN 0.232 nan 8.240 nan 0.000 0.480 835 R N 1.276 121.734 120.500 -0.070 0.000 2.335 835 R HA 0.264 4.605 4.340 0.002 0.000 0.223 835 R C -0.115 176.220 176.300 0.058 0.000 0.940 835 R CA -0.033 56.068 56.100 0.002 0.000 1.086 835 R CB 0.275 30.565 30.300 -0.018 0.000 1.073 835 R HN 0.135 nan 8.270 nan 0.000 0.504 836 S N -0.330 115.440 115.700 0.115 0.000 2.532 836 S HA 0.674 5.146 4.470 0.002 0.000 0.301 836 S C 0.336 175.003 174.600 0.110 0.000 1.083 836 S CA -0.194 58.065 58.200 0.098 0.000 1.025 836 S CB 2.148 65.397 63.200 0.081 0.000 1.056 836 S HN 0.506 nan 8.310 nan 0.000 0.494 837 G N 1.748 110.582 108.800 0.057 0.000 2.598 837 G HA2 -0.261 3.701 3.960 0.002 0.000 0.244 837 G HA3 -0.261 3.701 3.960 0.002 0.000 0.244 837 G C 0.249 175.161 174.900 0.020 0.000 1.302 837 G CA 0.713 45.827 45.100 0.024 0.000 0.903 837 G HN 0.664 nan 8.290 nan 0.000 0.575 838 Q N -0.992 118.797 119.800 -0.017 0.000 2.431 838 Q HA 0.348 4.690 4.340 0.002 0.000 0.244 838 Q C 2.738 178.698 176.000 -0.066 0.000 0.880 838 Q CA 0.635 56.428 55.803 -0.017 0.000 0.954 838 Q CB 0.035 28.765 28.738 -0.014 0.000 1.105 838 Q HN 0.636 nan 8.270 nan 0.000 0.558 839 L N 0.502 121.625 121.223 -0.166 0.000 2.173 839 L HA -0.272 4.069 4.340 0.002 0.000 0.239 839 L C 0.324 177.013 176.870 -0.301 0.000 1.123 839 L CA 1.456 56.099 54.840 -0.329 0.000 0.847 839 L CB -0.987 40.702 42.059 -0.617 0.000 0.940 839 L HN 0.151 nan 8.230 nan 0.000 0.450 840 F N 0.784 120.752 119.950 0.030 0.000 2.438 840 F HA 0.217 4.746 4.527 0.002 0.000 0.356 840 F C 1.128 176.938 175.800 0.016 0.000 1.099 840 F CA -0.937 57.078 58.000 0.025 0.000 1.185 840 F CB 0.380 39.390 39.000 0.017 0.000 1.115 840 F HN 0.025 nan 8.300 nan 0.000 0.526 841 S N 1.650 117.471 115.700 0.201 0.000 2.606 841 S HA 0.023 4.494 4.470 0.002 0.000 0.257 841 S C 1.136 175.795 174.600 0.099 0.000 1.327 841 S CA -0.534 57.733 58.200 0.112 0.000 0.984 841 S CB 0.712 63.963 63.200 0.085 0.000 0.941 841 S HN 0.658 nan 8.310 nan 0.000 0.576 842 Q N 0.994 120.832 119.800 0.063 0.000 2.084 842 Q HA -0.008 4.334 4.340 0.002 0.000 0.202 842 Q C 2.263 178.288 176.000 0.040 0.000 0.978 842 Q CA 2.143 57.975 55.803 0.048 0.000 0.844 842 Q CB -1.205 27.553 28.738 0.033 0.000 0.898 842 Q HN 0.906 nan 8.270 nan 0.000 0.426 843 A N -0.735 122.107 122.820 0.037 0.000 1.892 843 A HA -0.247 4.075 4.320 0.002 0.000 0.218 843 A C 2.303 179.904 177.584 0.028 0.000 1.188 843 A CA 2.229 54.282 52.037 0.026 0.000 0.631 843 A CB -1.188 17.826 19.000 0.024 0.000 0.822 843 A HN 0.502 nan 8.150 nan 0.000 0.447 844 T N -0.121 114.458 114.554 0.041 0.000 2.746 844 T HA -0.122 4.229 4.350 0.002 0.000 0.267 844 T C 1.901 176.590 174.700 -0.019 0.000 1.039 844 T CA 1.714 63.820 62.100 0.009 0.000 1.142 844 T CB -0.212 68.673 68.868 0.028 0.000 0.866 844 T HN 0.573 nan 8.240 nan 0.000 0.444 845 K N 0.797 121.208 120.400 0.019 0.000 2.147 845 K HA -0.098 4.223 4.320 0.002 0.000 0.205 845 K C 1.988 178.599 176.600 0.019 0.000 1.049 845 K CA 1.260 57.554 56.287 0.012 0.000 0.936 845 K CB -0.078 32.447 32.500 0.042 0.000 0.722 845 K HN 0.223 nan 8.250 nan 0.000 0.446 846 D N 0.003 120.421 120.400 0.031 0.000 2.123 846 D HA -0.078 4.563 4.640 0.002 0.000 0.200 846 D C 1.793 178.141 176.300 0.080 0.000 0.976 846 D CA 1.201 55.228 54.000 0.046 0.000 0.831 846 D CB -0.208 40.610 40.800 0.029 0.000 0.974 846 D HN 0.097 nan 8.370 nan 0.000 0.469 847 T N 0.585 115.179 114.554 0.066 0.000 2.821 847 T HA -0.083 4.269 4.350 0.002 0.000 0.267 847 T C 1.992 176.782 174.700 0.151 0.000 1.046 847 T CA 1.289 63.463 62.100 0.123 0.000 1.139 847 T CB -0.202 68.712 68.868 0.076 0.000 0.871 847 T HN 0.163 nan 8.240 nan 0.000 0.454 848 A N 1.792 124.636 122.820 0.040 0.000 1.933 848 A HA -0.105 4.217 4.320 0.002 0.000 0.218 848 A C 2.268 179.865 177.584 0.022 0.000 1.175 848 A CA 1.776 53.803 52.037 -0.016 0.000 0.628 848 A CB -0.503 18.431 19.000 -0.111 0.000 0.814 848 A HN 0.290 nan 8.150 nan 0.000 0.444 849 R N -0.545 119.990 120.500 0.058 0.000 2.081 849 R HA -0.169 4.172 4.340 0.002 0.000 0.235 849 R C 2.043 178.414 176.300 0.119 0.000 1.131 849 R CA 1.868 58.010 56.100 0.069 0.000 0.960 849 R CB -0.845 29.501 30.300 0.077 0.000 0.856 849 R HN 0.805 nan 8.270 nan 0.000 0.436 850 W N 0.679 121.973 121.300 -0.009 0.000 2.335 850 W HA -0.242 4.420 4.660 0.002 0.000 0.311 850 W C 1.575 178.100 176.519 0.009 0.000 1.213 850 W CA 1.856 59.201 57.345 0.001 0.000 1.274 850 W CB -0.431 29.032 29.460 0.005 0.000 1.148 850 W HN 0.252 nan 8.180 nan 0.000 0.498 851 A N 1.144 123.910 122.820 -0.089 0.000 1.902 851 A HA -0.252 4.069 4.320 0.002 0.000 0.217 851 A C 1.917 179.406 177.584 -0.157 0.000 1.181 851 A CA 2.220 54.144 52.037 -0.190 0.000 0.623 851 A CB -0.992 18.005 19.000 -0.006 0.000 0.818 851 A HN 0.323 nan 8.150 nan 0.000 0.443 852 R N 0.439 120.887 120.500 -0.087 0.000 2.091 852 R HA -0.140 4.202 4.340 0.002 0.000 0.238 852 R C 1.828 178.065 176.300 -0.104 0.000 1.136 852 R CA 2.319 58.377 56.100 -0.069 0.000 0.959 852 R CB -0.622 29.654 30.300 -0.041 0.000 0.856 852 R HN 0.698 nan 8.270 nan 0.000 0.437 853 E N -0.568 119.549 120.200 -0.139 0.000 2.076 853 E HA -0.116 4.235 4.350 0.002 0.000 0.190 853 E C 1.988 178.433 176.600 -0.258 0.000 0.979 853 E CA 0.752 57.059 56.400 -0.154 0.000 0.807 853 E CB 0.024 29.666 29.700 -0.097 0.000 0.761 853 E HN 0.317 nan 8.360 nan 0.000 0.454 854 Q N 0.580 120.109 119.800 -0.452 0.000 2.170 854 Q HA -0.191 4.150 4.340 0.002 0.000 0.203 854 Q C 2.049 177.812 176.000 -0.396 0.000 0.976 854 Q CA 1.092 56.584 55.803 -0.519 0.000 0.858 854 Q CB -0.187 28.078 28.738 -0.789 0.000 0.907 854 Q HN 0.337 nan 8.270 nan 0.000 0.433 855 Q N 0.717 120.351 119.800 -0.277 0.000 2.123 855 Q HA -0.121 4.221 4.340 0.002 0.000 0.199 855 Q C 1.563 177.488 176.000 -0.125 0.000 0.966 855 Q CA 0.931 56.639 55.803 -0.159 0.000 0.845 855 Q CB 0.241 29.010 28.738 0.051 0.000 0.907 855 Q HN 0.159 nan 8.270 nan 0.000 0.439 856 K N 0.458 120.788 120.400 -0.116 0.000 2.148 856 K HA -0.072 4.249 4.320 0.002 0.000 0.204 856 K C 2.149 178.693 176.600 -0.094 0.000 1.050 856 K CA 0.724 56.961 56.287 -0.083 0.000 0.942 856 K CB -0.084 32.375 32.500 -0.067 0.000 0.724 856 K HN 0.243 nan 8.250 nan 0.000 0.446 857 R N 0.577 120.997 120.500 -0.133 0.000 2.092 857 R HA -0.064 4.277 4.340 0.002 0.000 0.231 857 R C 2.355 178.581 176.300 -0.123 0.000 1.119 857 R CA 0.835 56.862 56.100 -0.121 0.000 0.970 857 R CB -0.009 30.208 30.300 -0.138 0.000 0.864 857 R HN 0.184 nan 8.270 nan 0.000 0.440 858 Q N 0.791 120.481 119.800 -0.183 0.000 2.020 858 Q HA -0.133 4.209 4.340 0.002 0.000 0.202 858 Q C 2.319 178.278 176.000 -0.067 0.000 0.982 858 Q CA 1.389 57.094 55.803 -0.163 0.000 0.838 858 Q CB -0.262 28.284 28.738 -0.321 0.000 0.899 858 Q HN 0.390 nan 8.270 nan 0.000 0.423 859 L N 0.967 122.160 121.223 -0.050 0.000 2.079 859 L HA -0.161 4.180 4.340 0.002 0.000 0.210 859 L C 1.967 178.820 176.870 -0.028 0.000 1.081 859 L CA 1.473 56.298 54.840 -0.024 0.000 0.752 859 L CB -0.603 41.444 42.059 -0.019 0.000 0.896 859 L HN 0.165 nan 8.230 nan 0.000 0.433 860 S N -0.957 114.721 115.700 -0.038 0.000 2.763 860 S HA 0.354 4.826 4.470 0.002 0.000 0.237 860 S C 0.310 174.893 174.600 -0.028 0.000 0.966 860 S CA -0.300 57.881 58.200 -0.031 0.000 1.017 860 S CB -0.451 62.729 63.200 -0.034 0.000 0.780 860 S HN 0.178 nan 8.310 nan 0.000 0.476 861 L N 0.000 121.207 121.223 -0.026 0.000 2.949 861 L HA 0.000 4.341 4.340 0.002 0.000 0.249 861 L CA 0.000 54.830 54.840 -0.017 0.000 0.813 861 L CB 0.000 42.050 42.059 -0.015 0.000 0.961 861 L HN 0.000 nan 8.230 nan 0.000 0.502