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 2o8f_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAVQPKETLQ LESAAEVGFV RFFQGMPEKP TTTVRLFDRG DFYTAHGEDA DATA SEQUENCE LLAAREVFKT QGVIKYMGPA GAKNLQSVVL SKMNFESFVK DLLLVRQYRV DATA SEQUENCE EVYKNRAGXX XSKENDWYLA YKASPGNLSQ FEDILFGNNX XXXXIGVVGV DATA SEQUENCE KMSAVDXQRQ VGVGYVDSIQ RKLGLCEFPD NDQFSNLEAL LIQIGPKECV DATA SEQUENCE LPGGETAGDM GKLRQIIQRG GILITERKKA DFSTKDIYQD LNRXXKGKKG DATA SEQUENCE EQMNSAVLPE MENQVAVSSL SAVIKFLELL SDDSNFGQFE LTTFDFSQYM DATA SEQUENCE KLDIAAVRAL NLFQGXXXDT TGSQSLAALL NKCKTPQGQR LVNQWIKQPL DATA SEQUENCE MDKNRIEERL NLVEAFVEDA ELRQTLQEDL LRRFPDLNRL AKKFQRQAAN DATA SEQUENCE LQDCYRLYQG INQLPNVIQA LEKHEGKHQK LLLAVFVTPL TDLRSDFSKF DATA SEQUENCE QEMIETTLDM DQVENHEFLV KPSFDPNLSE LREIMNDLEK KMQSTLISAA DATA SEQUENCE RDLGLDPGKQ IKLDSSAQFG YYFRVTCKEE KVLRNNKNFS TVDIQKNGVK DATA SEQUENCE FTNSKLTSLN EEYTKNKTEY EEAQDAIVKE IVNISSGYVE PMQTLNDVLA DATA SEQUENCE QLDAVVSFAH VSNGAPVPYV RPAILEKGQG RIILKASRHA CVEVQDEIAF DATA SEQUENCE IPNDVYFEKD KQMFHIITGP NMGGKSTYIR QTGVIVLMAQ IGCFVPCESA DATA SEQUENCE EVSIVDCILA RVGXXXXXXX XXSTFMAEML ETASILRSAT KDSLIIIDEL DATA SEQUENCE GRGTSTYDGF GLAWAISEYI ATKIGAFCMF ATHFHELTAL ANQIPTVNNL DATA SEQUENCE HVTALTTEET LTMLYQVKKG VCDQSFGIHV AELANFPKHV IECAKQKALE DATA SEQUENCE LEEFQ 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 0.000 176.345 176.300 0.076 0.000 1.140 1 M CA 0.000 55.331 55.300 0.051 0.000 0.988 1 M CB 0.000 32.648 32.600 0.080 0.000 1.302 2 A N 0.233 123.083 122.820 0.050 0.000 2.348 2 A HA 0.105 4.424 4.320 -0.002 0.000 0.653 2 A C -0.141 177.544 177.584 0.167 0.000 0.215 2 A CA 0.090 52.161 52.037 0.057 0.000 0.165 2 A CB -1.419 17.545 19.000 -0.061 0.000 3.786 2 A HN 1.137 nan 8.150 nan 0.000 0.522 3 V N 4.830 124.817 119.914 0.122 0.000 2.583 3 V HA -0.026 4.093 4.120 -0.002 0.000 0.302 3 V C 1.260 177.464 176.094 0.182 0.000 1.033 3 V CA 1.321 63.691 62.300 0.117 0.000 1.194 3 V CB -0.070 31.799 31.823 0.076 0.000 0.879 3 V HN 0.851 nan 8.190 nan 0.000 0.482 4 Q N 6.928 126.787 119.800 0.099 0.000 2.332 4 Q HA 0.258 4.597 4.340 -0.002 0.000 0.263 4 Q C -1.902 174.075 176.000 -0.039 0.000 0.979 4 Q CA -1.421 54.357 55.803 -0.042 0.000 0.885 4 Q CB 0.500 29.088 28.738 -0.250 0.000 1.218 4 Q HN 0.587 nan 8.270 nan 0.000 0.405 5 P HA -0.036 nan 4.420 nan 0.000 0.270 5 P C -0.515 176.724 177.300 -0.102 0.000 1.223 5 P CA 0.094 63.167 63.100 -0.044 0.000 0.785 5 P CB 0.914 32.580 31.700 -0.056 0.000 0.923 6 K N 0.003 120.354 120.400 -0.080 0.000 2.167 6 K HA -0.028 4.291 4.320 -0.002 0.000 0.203 6 K C 0.517 177.029 176.600 -0.147 0.000 1.052 6 K CA 0.784 57.018 56.287 -0.089 0.000 0.956 6 K CB -0.077 32.393 32.500 -0.050 0.000 0.735 6 K HN 0.502 nan 8.250 nan 0.000 0.451 7 E N 1.096 121.168 120.200 -0.212 0.000 2.418 7 E HA 0.041 4.390 4.350 -0.002 0.000 0.261 7 E C -0.590 175.725 176.600 -0.475 0.000 1.070 7 E CA 0.595 56.763 56.400 -0.386 0.000 0.931 7 E CB 0.743 30.054 29.700 -0.649 0.000 0.954 7 E HN -0.035 nan 8.360 nan 0.000 0.439 8 T N 1.496 115.769 114.554 -0.469 0.000 2.912 8 T HA 0.312 4.661 4.350 -0.002 0.000 0.299 8 T C -1.016 173.527 174.700 -0.263 0.000 1.052 8 T CA -0.861 61.039 62.100 -0.334 0.000 0.996 8 T CB 0.900 69.666 68.868 -0.170 0.000 1.070 8 T HN 0.277 nan 8.240 nan 0.000 0.465 9 L N 3.429 124.572 121.223 -0.135 0.000 2.485 9 L HA 0.301 4.640 4.340 -0.002 0.000 0.279 9 L C -0.144 176.754 176.870 0.047 0.000 1.124 9 L CA 0.601 55.501 54.840 0.099 0.000 0.888 9 L CB -0.221 41.903 42.059 0.107 0.000 1.217 9 L HN 0.611 nan 8.230 nan 0.000 0.464 10 Q N 6.286 126.134 119.800 0.079 0.000 2.571 10 Q HA 0.436 4.775 4.340 -0.002 0.000 0.243 10 Q C -1.132 174.889 176.000 0.036 0.000 1.055 10 Q CA -0.246 55.580 55.803 0.037 0.000 0.815 10 Q CB 1.269 30.022 28.738 0.025 0.000 1.151 10 Q HN 0.649 nan 8.270 nan 0.000 0.519 11 L N 0.959 122.194 121.223 0.021 0.000 2.334 11 L HA 0.438 4.777 4.340 -0.002 0.000 0.270 11 L C 0.437 177.316 176.870 0.015 0.000 1.018 11 L CA -0.812 54.037 54.840 0.014 0.000 0.811 11 L CB 1.638 43.698 42.059 0.002 0.000 1.271 11 L HN 0.426 nan 8.230 nan 0.000 0.443 12 E N 0.015 120.224 120.200 0.016 0.000 2.371 12 E HA 0.069 4.418 4.350 -0.002 0.000 0.257 12 E C 0.880 177.493 176.600 0.021 0.000 1.134 12 E CA 0.182 56.592 56.400 0.016 0.000 0.919 12 E CB 1.073 30.781 29.700 0.014 0.000 1.025 12 E HN 0.734 nan 8.360 nan 0.000 0.438 13 S N 1.470 117.182 115.700 0.020 0.000 2.412 13 S HA -0.362 4.107 4.470 -0.002 0.000 0.246 13 S C 1.984 176.602 174.600 0.031 0.000 1.073 13 S CA 1.699 59.913 58.200 0.024 0.000 1.186 13 S CB -0.724 62.488 63.200 0.020 0.000 1.084 13 S HN 0.630 nan 8.310 nan 0.000 0.434 14 A N 1.973 124.811 122.820 0.029 0.000 1.969 14 A HA 0.412 4.731 4.320 -0.002 0.000 0.218 14 A C 2.534 180.146 177.584 0.047 0.000 1.169 14 A CA 1.748 53.806 52.037 0.035 0.000 0.635 14 A CB -1.385 17.632 19.000 0.029 0.000 0.810 14 A HN 1.053 nan 8.150 nan 0.000 0.445 15 A N -0.423 122.423 122.820 0.044 0.000 2.015 15 A HA -0.115 4.204 4.320 -0.002 0.000 0.219 15 A C 1.980 179.610 177.584 0.076 0.000 1.163 15 A CA 1.610 53.680 52.037 0.056 0.000 0.646 15 A CB -0.389 18.633 19.000 0.038 0.000 0.806 15 A HN 0.677 nan 8.150 nan 0.000 0.448 16 E N -0.051 120.185 120.200 0.060 0.000 2.046 16 E HA -0.114 4.235 4.350 -0.002 0.000 0.190 16 E C 1.841 178.502 176.600 0.101 0.000 0.982 16 E CA 1.398 57.837 56.400 0.065 0.000 0.800 16 E CB -0.082 29.644 29.700 0.043 0.000 0.756 16 E HN 0.314 nan 8.360 nan 0.000 0.449 17 V N 0.846 120.809 119.914 0.081 0.000 2.343 17 V HA -0.203 3.916 4.120 -0.002 0.000 0.247 17 V C 2.457 178.608 176.094 0.095 0.000 1.051 17 V CA 1.881 64.228 62.300 0.077 0.000 1.036 17 V CB -1.039 30.818 31.823 0.057 0.000 0.654 17 V HN 0.495 nan 8.190 nan 0.000 0.451 18 G N -0.927 107.940 108.800 0.111 0.000 2.442 18 G HA2 -0.313 3.646 3.960 -0.002 0.000 0.219 18 G HA3 -0.313 3.646 3.960 -0.002 0.000 0.219 18 G C 1.552 176.556 174.900 0.173 0.000 1.141 18 G CA 0.969 46.146 45.100 0.129 0.000 0.763 18 G HN 0.511 nan 8.290 nan 0.000 0.554 19 F N 1.158 121.125 119.950 0.029 0.000 2.206 19 F HA -0.014 4.512 4.527 -0.002 0.000 0.298 19 F C 2.609 178.396 175.800 -0.023 0.000 1.090 19 F CA 1.082 59.065 58.000 -0.029 0.000 1.323 19 F CB -0.058 38.839 39.000 -0.171 0.000 1.028 19 F HN 0.000 nan 8.300 nan 0.000 0.492 20 V N 0.932 120.855 119.914 0.016 0.000 2.343 20 V HA -0.250 3.869 4.120 -0.002 0.000 0.247 20 V C 2.532 178.601 176.094 -0.043 0.000 1.051 20 V CA 1.786 64.055 62.300 -0.052 0.000 1.036 20 V CB -0.695 31.147 31.823 0.032 0.000 0.654 20 V HN 0.232 nan 8.190 nan 0.000 0.451 21 R N -0.820 119.684 120.500 0.007 0.000 2.148 21 R HA -0.049 4.290 4.340 -0.002 0.000 0.227 21 R C 2.086 178.384 176.300 -0.004 0.000 1.103 21 R CA 1.172 57.279 56.100 0.012 0.000 0.983 21 R CB -0.844 29.481 30.300 0.043 0.000 0.874 21 R HN 0.606 nan 8.270 nan 0.000 0.451 22 F N 0.139 119.988 119.950 -0.169 0.000 2.163 22 F HA -0.110 4.416 4.527 -0.002 0.000 0.297 22 F C 1.958 177.585 175.800 -0.288 0.000 1.094 22 F CA 0.807 58.683 58.000 -0.207 0.000 1.290 22 F CB -0.402 38.458 39.000 -0.234 0.000 1.017 22 F HN -0.095 nan 8.300 nan 0.000 0.483 23 F N 1.328 120.905 119.950 -0.623 0.000 2.293 23 F HA -0.153 4.373 4.527 -0.001 0.000 0.300 23 F C 2.295 177.848 175.800 -0.411 0.000 1.086 23 F CA 1.615 59.227 58.000 -0.646 0.000 1.375 23 F CB -0.431 38.172 39.000 -0.662 0.000 1.045 23 F HN 0.077 nan 8.300 nan 0.000 0.516 24 Q N -0.767 118.902 119.800 -0.218 0.000 2.123 24 Q HA -0.003 4.336 4.340 -0.002 0.000 0.199 24 Q C 1.828 177.667 176.000 -0.267 0.000 0.966 24 Q CA 1.023 56.715 55.803 -0.186 0.000 0.845 24 Q CB -0.475 28.216 28.738 -0.078 0.000 0.907 24 Q HN 0.417 nan 8.270 nan 0.000 0.439 25 G N 0.413 109.021 108.800 -0.320 0.000 3.474 25 G HA2 0.291 4.250 3.960 -0.002 0.000 0.269 25 G HA3 0.291 4.250 3.960 -0.002 0.000 0.269 25 G C -0.150 174.483 174.900 -0.445 0.000 1.339 25 G CA -0.191 44.727 45.100 -0.305 0.000 1.258 25 G HN 0.047 nan 8.290 nan 0.000 0.560 26 M N 0.608 119.901 119.600 -0.512 0.000 2.364 26 M HA 0.326 4.805 4.480 -0.002 0.000 0.334 26 M C -2.221 173.901 176.300 -0.298 0.000 1.107 26 M CA -1.785 53.220 55.300 -0.492 0.000 0.988 26 M CB 2.008 34.198 32.600 -0.683 0.000 1.673 26 M HN -0.133 nan 8.290 nan 0.000 0.441 27 P HA -0.075 nan 4.420 nan 0.000 0.267 27 P C -0.663 176.574 177.300 -0.104 0.000 1.195 27 P CA 0.012 63.050 63.100 -0.105 0.000 0.773 27 P CB 0.337 32.011 31.700 -0.044 0.000 0.837 28 E N 2.040 122.197 120.200 -0.072 0.000 2.868 28 E HA -0.148 4.201 4.350 -0.002 0.000 0.246 28 E C -0.112 176.463 176.600 -0.042 0.000 0.962 28 E CA 0.746 57.112 56.400 -0.057 0.000 0.955 28 E CB -0.168 29.512 29.700 -0.034 0.000 0.903 28 E HN 0.156 nan 8.360 nan 0.000 0.524 29 K N 6.205 126.575 120.400 -0.050 0.000 2.253 29 K HA 0.346 4.665 4.320 -0.002 0.000 0.277 29 K C -2.311 174.298 176.600 0.015 0.000 1.053 29 K CA -2.082 54.195 56.287 -0.017 0.000 0.892 29 K CB 0.746 33.222 32.500 -0.040 0.000 1.102 29 K HN 0.348 nan 8.250 nan 0.000 0.469 30 P HA 0.053 nan 4.420 nan 0.000 0.274 30 P C 0.227 177.567 177.300 0.068 0.000 1.231 30 P CA -0.430 62.691 63.100 0.034 0.000 0.790 30 P CB 0.911 32.625 31.700 0.023 0.000 0.951 31 T N -3.973 110.623 114.554 0.070 0.000 3.160 31 T HA -0.057 4.292 4.350 -0.002 0.000 0.257 31 T C 1.004 175.813 174.700 0.183 0.000 1.147 31 T CA 0.994 63.169 62.100 0.126 0.000 1.064 31 T CB -1.146 67.787 68.868 0.108 0.000 0.949 31 T HN 0.512 nan 8.240 nan 0.000 0.526 32 T N -0.292 114.304 114.554 0.069 0.000 3.145 32 T HA 0.246 4.595 4.350 -0.002 0.000 0.255 32 T C 0.628 175.403 174.700 0.124 0.000 1.039 32 T CA -0.116 61.940 62.100 -0.073 0.000 0.928 32 T CB -0.276 68.461 68.868 -0.219 0.000 1.029 32 T HN 0.551 nan 8.240 nan 0.000 0.554 33 T N -0.447 114.226 114.554 0.197 0.000 2.856 33 T HA 0.707 5.056 4.350 -0.002 0.000 0.283 33 T C -0.772 174.046 174.700 0.197 0.000 1.008 33 T CA -0.729 61.476 62.100 0.176 0.000 0.997 33 T CB 1.953 70.892 68.868 0.118 0.000 0.992 33 T HN 0.001 nan 8.240 nan 0.000 0.454 34 V N 3.520 123.519 119.914 0.142 0.000 2.409 34 V HA 0.505 4.624 4.120 -0.002 0.000 0.291 34 V C 0.141 176.328 176.094 0.155 0.000 1.020 34 V CA -0.930 61.442 62.300 0.119 0.000 0.848 34 V CB 1.330 33.134 31.823 -0.032 0.000 0.990 34 V HN 0.848 nan 8.190 nan 0.000 0.430 35 R N 5.287 125.925 120.500 0.230 0.000 2.229 35 R HA 0.678 5.017 4.340 -0.002 0.000 0.332 35 R C -1.151 175.283 176.300 0.223 0.000 0.989 35 R CA -0.408 55.833 56.100 0.235 0.000 0.842 35 R CB 1.184 31.634 30.300 0.249 0.000 1.119 35 R HN 0.580 nan 8.270 nan 0.000 0.456 36 L N 3.952 125.286 121.223 0.186 0.000 2.346 36 L HA 0.552 4.891 4.340 -0.002 0.000 0.274 36 L C -0.776 176.203 176.870 0.181 0.000 1.007 36 L CA -0.797 54.231 54.840 0.314 0.000 0.818 36 L CB 1.324 43.676 42.059 0.488 0.000 1.284 36 L HN 0.439 nan 8.230 nan 0.000 0.424 37 F N 0.474 120.704 119.950 0.466 0.000 2.426 37 F HA 0.263 4.789 4.527 -0.001 0.000 0.348 37 F C 0.280 176.260 175.800 0.300 0.000 1.124 37 F CA -0.764 57.463 58.000 0.377 0.000 1.008 37 F CB 1.379 40.430 39.000 0.085 0.000 1.139 37 F HN 0.371 nan 8.300 nan 0.000 0.452 38 D N 2.659 123.296 120.400 0.395 0.000 2.348 38 D HA 0.197 4.836 4.640 -0.002 0.000 0.253 38 D C 0.507 176.764 176.300 -0.071 0.000 1.161 38 D CA -0.052 53.883 54.000 -0.109 0.000 0.876 38 D CB 0.820 41.535 40.800 -0.143 0.000 1.160 38 D HN 0.390 nan 8.370 nan 0.000 0.459 39 R N 2.648 122.899 120.500 -0.415 0.000 2.577 39 R HA 0.302 4.641 4.340 -0.002 0.000 0.344 39 R C 1.241 177.235 176.300 -0.510 0.000 1.037 39 R CA 0.204 56.009 56.100 -0.492 0.000 1.102 39 R CB 0.587 30.289 30.300 -0.997 0.000 1.313 39 R HN 0.734 nan 8.270 nan 0.000 0.561 40 G N 1.754 110.303 108.800 -0.419 0.000 5.219 40 G HA2 -0.368 3.591 3.960 -0.002 0.000 0.267 40 G HA3 -0.368 3.591 3.960 -0.002 0.000 0.267 40 G C 0.585 175.339 174.900 -0.242 0.000 1.495 40 G CA 0.468 45.400 45.100 -0.281 0.000 0.988 40 G HN 0.343 nan 8.290 nan 0.000 0.707 41 D N 0.918 121.209 120.400 -0.181 0.000 2.333 41 D HA 0.404 5.043 4.640 -0.002 0.000 0.208 41 D C 0.889 177.271 176.300 0.136 0.000 0.984 41 D CA 1.483 55.496 54.000 0.020 0.000 0.873 41 D CB 0.097 40.991 40.800 0.157 0.000 0.935 41 D HN 0.656 nan 8.370 nan 0.000 0.521 42 F N -2.359 117.526 119.950 -0.108 0.000 2.745 42 F HA 0.603 5.129 4.527 -0.002 0.000 0.316 42 F C -1.171 174.531 175.800 -0.162 0.000 1.155 42 F CA -1.652 56.324 58.000 -0.041 0.000 0.937 42 F CB 0.685 39.710 39.000 0.041 0.000 1.361 42 F HN -0.336 nan 8.300 nan 0.000 0.472 43 Y N -0.585 119.858 120.300 0.237 0.000 2.631 43 Y HA 0.734 5.283 4.550 -0.002 0.000 0.328 43 Y C 0.140 176.231 175.900 0.318 0.000 1.118 43 Y CA -0.822 57.375 58.100 0.162 0.000 1.206 43 Y CB 2.075 40.609 38.460 0.123 0.000 1.337 43 Y HN 0.860 nan 8.280 nan 0.000 0.515 44 T N 0.436 115.266 114.554 0.459 0.000 3.041 44 T HA 0.762 5.111 4.350 -0.002 0.000 0.321 44 T C -1.733 173.099 174.700 0.220 0.000 1.184 44 T CA -0.528 61.736 62.100 0.272 0.000 1.050 44 T CB 0.596 69.574 68.868 0.185 0.000 1.159 44 T HN 0.854 nan 8.240 nan 0.000 0.469 45 A N 3.960 126.755 122.820 -0.041 0.000 2.340 45 A HA 0.862 5.181 4.320 -0.002 0.000 0.331 45 A C -0.883 176.464 177.584 -0.394 0.000 1.140 45 A CA -0.561 51.483 52.037 0.011 0.000 0.801 45 A CB 0.867 19.919 19.000 0.087 0.000 1.234 45 A HN 0.915 nan 8.150 nan 0.000 0.469 46 H N 0.120 119.275 119.070 0.141 0.000 2.851 46 H HA 0.564 5.119 4.556 -0.002 0.000 0.372 46 H C 0.873 176.143 175.328 -0.096 0.000 1.158 46 H CA 0.219 56.169 56.048 -0.163 0.000 1.159 46 H CB 1.751 31.132 29.762 -0.635 0.000 1.757 46 H HN 1.444 nan 8.280 nan 0.000 0.546 47 G N 2.179 110.975 108.800 -0.008 0.000 2.557 47 G HA2 -0.349 3.610 3.960 -0.002 0.000 0.292 47 G HA3 -0.349 3.610 3.960 -0.002 0.000 0.292 47 G C 1.059 176.052 174.900 0.154 0.000 1.162 47 G CA 0.570 45.753 45.100 0.139 0.000 0.964 47 G HN 0.578 nan 8.290 nan 0.000 0.541 48 E N 1.148 121.477 120.200 0.214 0.000 2.106 48 E HA -0.056 4.293 4.350 -0.002 0.000 0.192 48 E C 2.151 178.840 176.600 0.149 0.000 0.984 48 E CA 1.533 58.032 56.400 0.165 0.000 0.806 48 E CB -0.319 29.484 29.700 0.173 0.000 0.750 48 E HN 0.587 nan 8.360 nan 0.000 0.458 49 D N 0.811 121.330 120.400 0.197 0.000 2.144 49 D HA -0.083 4.556 4.640 -0.002 0.000 0.200 49 D C 1.845 178.208 176.300 0.105 0.000 0.978 49 D CA 1.211 55.326 54.000 0.192 0.000 0.833 49 D CB -0.179 40.790 40.800 0.281 0.000 0.961 49 D HN 0.130 nan 8.370 nan 0.000 0.470 50 A N 0.777 123.632 122.820 0.058 0.000 1.898 50 A HA -0.077 4.242 4.320 -0.002 0.000 0.216 50 A C 2.356 179.922 177.584 -0.030 0.000 1.181 50 A CA 0.759 52.776 52.037 -0.033 0.000 0.620 50 A CB -0.699 18.247 19.000 -0.091 0.000 0.819 50 A HN 0.183 nan 8.150 nan 0.000 0.442 51 L N -1.097 120.130 121.223 0.007 0.000 2.141 51 L HA -0.112 4.227 4.340 -0.002 0.000 0.209 51 L C 2.494 179.370 176.870 0.010 0.000 1.094 51 L CA 0.764 55.612 54.840 0.013 0.000 0.763 51 L CB -0.423 41.661 42.059 0.042 0.000 0.908 51 L HN 0.439 nan 8.230 nan 0.000 0.437 52 L N 0.154 121.389 121.223 0.020 0.000 2.044 52 L HA -0.025 4.314 4.340 -0.002 0.000 0.205 52 L C 2.617 179.448 176.870 -0.064 0.000 1.075 52 L CA 1.884 56.732 54.840 0.013 0.000 0.747 52 L CB -0.628 41.462 42.059 0.051 0.000 0.903 52 L HN 0.100 nan 8.230 nan 0.000 0.435 53 A N -0.514 122.207 122.820 -0.166 0.000 1.969 53 A HA -0.044 4.275 4.320 -0.002 0.000 0.218 53 A C 2.411 179.837 177.584 -0.263 0.000 1.169 53 A CA 1.552 53.288 52.037 -0.502 0.000 0.635 53 A CB -1.027 17.626 19.000 -0.578 0.000 0.810 53 A HN 0.555 nan 8.150 nan 0.000 0.445 54 A N -0.112 122.663 122.820 -0.075 0.000 1.898 54 A HA -0.130 4.189 4.320 -0.002 0.000 0.216 54 A C 2.248 179.837 177.584 0.008 0.000 1.181 54 A CA 1.449 53.506 52.037 0.034 0.000 0.620 54 A CB -0.373 18.633 19.000 0.011 0.000 0.819 54 A HN 0.539 nan 8.150 nan 0.000 0.442 55 R N -0.913 119.572 120.500 -0.025 0.000 2.161 55 R HA 0.017 4.356 4.340 -0.002 0.000 0.213 55 R C 1.594 177.870 176.300 -0.040 0.000 1.055 55 R CA 1.061 57.152 56.100 -0.015 0.000 0.996 55 R CB 0.017 30.318 30.300 0.001 0.000 0.901 55 R HN 0.474 nan 8.270 nan 0.000 0.456 56 E N -0.135 120.012 120.200 -0.088 0.000 2.162 56 E HA 0.004 4.353 4.350 -0.002 0.000 0.193 56 E C 2.080 178.570 176.600 -0.183 0.000 0.953 56 E CA 0.662 57.009 56.400 -0.087 0.000 0.849 56 E CB 0.224 29.925 29.700 0.001 0.000 0.810 56 E HN 0.051 nan 8.360 nan 0.000 0.470 57 V N 0.375 120.054 119.914 -0.392 0.000 2.300 57 V HA -0.086 4.033 4.120 -0.002 0.000 0.241 57 V C 1.762 177.494 176.094 -0.604 0.000 1.034 57 V CA 1.395 63.311 62.300 -0.640 0.000 1.021 57 V CB -0.416 30.701 31.823 -1.178 0.000 0.662 57 V HN 0.075 nan 8.190 nan 0.000 0.458 58 F N -0.322 119.554 119.950 -0.123 0.000 2.749 58 F HA 0.336 4.862 4.527 -0.002 0.000 0.300 58 F C 1.242 177.005 175.800 -0.061 0.000 1.103 58 F CA -0.453 57.497 58.000 -0.083 0.000 1.342 58 F CB -0.495 38.451 39.000 -0.090 0.000 1.098 58 F HN 0.013 nan 8.300 nan 0.000 0.586 59 K N 1.072 121.507 120.400 0.059 0.000 3.012 59 K HA -0.227 4.091 4.320 -0.002 0.000 0.259 59 K C 0.168 176.798 176.600 0.050 0.000 0.989 59 K CA 0.982 57.290 56.287 0.035 0.000 0.728 59 K CB -1.862 30.647 32.500 0.015 0.000 1.260 59 K HN 0.356 nan 8.250 nan 0.000 0.480 60 T N -1.537 113.057 114.554 0.067 0.000 2.889 60 T HA 0.239 4.588 4.350 -0.002 0.000 0.315 60 T C -0.056 174.660 174.700 0.026 0.000 1.291 60 T CA -0.770 61.354 62.100 0.039 0.000 1.028 60 T CB 1.830 70.714 68.868 0.027 0.000 1.235 60 T HN 0.087 nan 8.240 nan 0.000 0.491 61 Q N 1.747 121.554 119.800 0.012 0.000 2.392 61 Q HA 0.187 4.526 4.340 -0.002 0.000 0.203 61 Q C 1.981 177.971 176.000 -0.015 0.000 0.917 61 Q CA 0.770 56.577 55.803 0.006 0.000 0.939 61 Q CB 0.175 28.928 28.738 0.025 0.000 1.063 61 Q HN 0.907 nan 8.270 nan 0.000 0.516 62 G N 1.079 109.862 108.800 -0.028 0.000 2.443 62 G HA2 -0.156 3.803 3.960 -0.002 0.000 0.219 62 G HA3 -0.156 3.803 3.960 -0.002 0.000 0.219 62 G C 1.455 176.292 174.900 -0.104 0.000 1.131 62 G CA 1.088 46.158 45.100 -0.050 0.000 0.775 62 G HN 0.361 nan 8.290 nan 0.000 0.547 63 V N -1.076 118.746 119.914 -0.153 0.000 3.380 63 V HA 0.301 4.420 4.120 -0.002 0.000 0.268 63 V C 1.187 177.156 176.094 -0.209 0.000 1.168 63 V CA -0.147 62.002 62.300 -0.251 0.000 1.156 63 V CB -0.671 30.886 31.823 -0.443 0.000 0.785 63 V HN 0.237 nan 8.190 nan 0.000 0.487 64 I N 2.659 123.124 120.570 -0.174 0.000 2.452 64 I HA 0.282 4.451 4.170 -0.002 0.000 0.287 64 I C 0.143 176.076 176.117 -0.307 0.000 1.079 64 I CA 0.193 61.338 61.300 -0.259 0.000 1.387 64 I CB 0.474 38.304 38.000 -0.284 0.000 1.404 64 I HN 0.146 nan 8.210 nan 0.000 0.522 65 K N 6.683 126.884 120.400 -0.331 0.000 2.221 65 K HA 0.441 4.760 4.320 -0.002 0.000 0.258 65 K C -1.186 175.222 176.600 -0.319 0.000 0.944 65 K CA -0.804 55.348 56.287 -0.225 0.000 0.823 65 K CB 1.703 34.128 32.500 -0.125 0.000 1.113 65 K HN 0.295 nan 8.250 nan 0.000 0.431 66 Y N 2.786 123.080 120.300 -0.010 0.000 2.353 66 Y HA 0.337 4.886 4.550 -0.002 0.000 0.340 66 Y C 0.715 176.619 175.900 0.007 0.000 0.972 66 Y CA -0.753 57.348 58.100 0.002 0.000 1.157 66 Y CB 1.174 39.634 38.460 0.001 0.000 1.157 66 Y HN 0.466 nan 8.280 nan 0.000 0.495 67 M N 1.891 121.569 119.600 0.129 0.000 2.664 67 M HA 1.022 5.501 4.480 -0.002 0.000 0.314 67 M C -0.098 176.257 176.300 0.091 0.000 1.200 67 M CA -0.430 54.924 55.300 0.090 0.000 0.916 67 M CB 2.559 35.194 32.600 0.059 0.000 1.717 67 M HN 0.704 nan 8.290 nan 0.000 0.470 68 G N 0.522 109.365 108.800 0.072 0.000 2.368 68 G HA2 0.340 4.299 3.960 -0.002 0.000 0.269 68 G HA3 0.340 4.299 3.960 -0.002 0.000 0.269 68 G C -3.484 171.447 174.900 0.051 0.000 1.291 68 G CA -0.803 44.334 45.100 0.063 0.000 0.903 68 G HN 0.592 nan 8.290 nan 0.000 0.483 69 P HA 0.374 nan 4.420 nan 0.000 0.280 69 P C 1.314 178.632 177.300 0.029 0.000 1.278 69 P CA 0.840 63.961 63.100 0.035 0.000 0.787 69 P CB 0.363 32.081 31.700 0.030 0.000 1.163 70 A N 0.661 123.495 122.820 0.023 0.000 1.852 70 A HA -0.123 4.196 4.320 -0.002 0.000 0.217 70 A C 1.917 179.510 177.584 0.015 0.000 1.215 70 A CA 2.401 54.449 52.037 0.018 0.000 0.641 70 A CB -1.867 17.142 19.000 0.015 0.000 0.838 70 A HN 0.668 nan 8.150 nan 0.000 0.450 71 G N -2.368 106.439 108.800 0.012 0.000 4.291 71 G HA2 0.525 4.484 3.960 -0.002 0.000 0.304 71 G HA3 0.525 4.484 3.960 -0.002 0.000 0.304 71 G C -0.006 174.896 174.900 0.004 0.000 1.264 71 G CA 0.844 45.948 45.100 0.006 0.000 1.039 71 G HN 1.347 nan 8.290 nan 0.000 0.578 72 A N 0.639 123.465 122.820 0.011 0.000 3.367 72 A HA 0.378 4.697 4.320 -0.002 0.000 0.208 72 A C 0.172 177.771 177.584 0.024 0.000 1.043 72 A CA -0.604 51.439 52.037 0.010 0.000 1.079 72 A CB -0.045 18.962 19.000 0.012 0.000 1.314 72 A HN 0.196 nan 8.150 nan 0.000 0.668 73 K N 1.232 121.650 120.400 0.030 0.000 2.228 73 K HA 0.197 4.516 4.320 -0.002 0.000 0.284 73 K C -0.029 176.624 176.600 0.089 0.000 1.088 73 K CA -0.269 56.059 56.287 0.068 0.000 0.941 73 K CB 0.286 32.837 32.500 0.086 0.000 1.158 73 K HN 0.377 nan 8.250 nan 0.000 0.438 74 N N 1.621 120.383 118.700 0.104 0.000 2.197 74 N HA 0.015 4.754 4.740 -0.002 0.000 0.201 74 N C -0.424 175.209 175.510 0.205 0.000 1.148 74 N CA -0.129 52.999 53.050 0.129 0.000 0.883 74 N CB 0.341 38.870 38.487 0.069 0.000 1.012 74 N HN 0.315 nan 8.380 nan 0.000 0.507 75 L N 2.032 123.353 121.223 0.164 0.000 2.276 75 L HA 0.315 4.654 4.340 -0.002 0.000 0.286 75 L C -0.255 176.652 176.870 0.061 0.000 1.061 75 L CA -0.388 54.509 54.840 0.095 0.000 0.807 75 L CB 0.770 42.833 42.059 0.008 0.000 1.177 75 L HN -0.067 nan 8.230 nan 0.000 0.429 76 Q N 2.553 122.343 119.800 -0.017 0.000 2.352 76 Q HA 0.536 4.875 4.340 -0.002 0.000 0.260 76 Q C -0.812 175.107 176.000 -0.133 0.000 0.976 76 Q CA 0.341 56.018 55.803 -0.209 0.000 0.881 76 Q CB 1.129 29.763 28.738 -0.173 0.000 1.235 76 Q HN 0.717 nan 8.270 nan 0.000 0.419 77 S N 0.901 116.475 115.700 -0.211 0.000 2.619 77 S HA 0.598 5.067 4.470 -0.002 0.000 0.280 77 S C -1.274 173.186 174.600 -0.233 0.000 1.150 77 S CA -0.761 57.317 58.200 -0.203 0.000 0.978 77 S CB 1.394 64.573 63.200 -0.036 0.000 1.041 77 S HN 0.307 nan 8.310 nan 0.000 0.485 78 V N 3.250 123.017 119.914 -0.244 0.000 2.540 78 V HA 0.452 4.571 4.120 -0.002 0.000 0.302 78 V C -0.371 175.686 176.094 -0.061 0.000 1.035 78 V CA -0.739 61.479 62.300 -0.138 0.000 0.873 78 V CB 1.992 33.775 31.823 -0.067 0.000 0.992 78 V HN 0.710 nan 8.190 nan 0.000 0.428 79 V N 6.725 126.603 119.914 -0.059 0.000 2.408 79 V HA 0.374 4.493 4.120 -0.002 0.000 0.267 79 V C -0.056 176.132 176.094 0.156 0.000 1.047 79 V CA -0.197 62.110 62.300 0.012 0.000 0.937 79 V CB 0.929 32.632 31.823 -0.200 0.000 0.999 79 V HN 0.585 nan 8.190 nan 0.000 0.472 80 L N 5.294 126.705 121.223 0.312 0.000 2.313 80 L HA 0.534 4.873 4.340 -0.002 0.000 0.283 80 L C 0.665 177.793 176.870 0.430 0.000 1.013 80 L CA -0.183 54.889 54.840 0.388 0.000 0.816 80 L CB 2.039 44.317 42.059 0.365 0.000 1.236 80 L HN 0.784 nan 8.230 nan 0.000 0.419 81 S N 1.579 117.496 115.700 0.362 0.000 2.655 81 S HA 0.213 4.682 4.470 -0.002 0.000 0.265 81 S C 1.039 175.878 174.600 0.399 0.000 1.240 81 S CA -0.639 57.764 58.200 0.339 0.000 0.986 81 S CB 1.057 64.392 63.200 0.225 0.000 0.985 81 S HN 0.763 nan 8.310 nan 0.000 0.562 82 K N -0.103 120.510 120.400 0.356 0.000 2.160 82 K HA -0.209 4.110 4.320 -0.002 0.000 0.206 82 K C 1.999 178.792 176.600 0.321 0.000 1.047 82 K CA 1.656 58.162 56.287 0.365 0.000 0.930 82 K CB -0.437 32.215 32.500 0.253 0.000 0.720 82 K HN 0.649 nan 8.250 nan 0.000 0.450 83 M N 1.420 121.164 119.600 0.240 0.000 2.191 83 M HA -0.094 4.385 4.480 -0.002 0.000 0.262 83 M C 1.500 177.893 176.300 0.155 0.000 1.083 83 M CA 1.622 57.026 55.300 0.174 0.000 1.154 83 M CB -0.126 32.551 32.600 0.129 0.000 1.344 83 M HN 0.247 nan 8.290 nan 0.000 0.431 84 N N -0.156 118.643 118.700 0.165 0.000 2.094 84 N HA -0.233 4.506 4.740 -0.002 0.000 0.191 84 N C 1.598 177.178 175.510 0.116 0.000 1.023 84 N CA 1.743 54.843 53.050 0.083 0.000 0.857 84 N CB -0.379 38.170 38.487 0.103 0.000 1.013 84 N HN 0.298 nan 8.380 nan 0.000 0.426 85 F N 2.217 122.198 119.950 0.052 0.000 2.069 85 F HA -0.192 4.334 4.527 -0.002 0.000 0.298 85 F C 2.165 177.942 175.800 -0.039 0.000 1.113 85 F CA 1.553 59.535 58.000 -0.030 0.000 1.214 85 F CB -0.286 38.546 39.000 -0.281 0.000 0.978 85 F HN 0.031 nan 8.300 nan 0.000 0.474 86 E N -0.049 120.142 120.200 -0.014 0.000 2.085 86 E HA -0.241 4.108 4.350 -0.002 0.000 0.194 86 E C 2.367 178.869 176.600 -0.164 0.000 0.994 86 E CA 1.834 58.161 56.400 -0.122 0.000 0.801 86 E CB -0.386 29.355 29.700 0.068 0.000 0.743 86 E HN 0.571 nan 8.360 nan 0.000 0.453 87 S N 0.399 116.055 115.700 -0.074 0.000 2.402 87 S HA -0.143 4.326 4.470 -0.002 0.000 0.229 87 S C 1.876 176.433 174.600 -0.070 0.000 1.021 87 S CA 0.544 58.702 58.200 -0.070 0.000 0.974 87 S CB -0.346 62.828 63.200 -0.043 0.000 0.800 87 S HN 0.250 nan 8.310 nan 0.000 0.484 88 F N 2.832 122.617 119.950 -0.275 0.000 2.128 88 F HA 0.116 4.642 4.527 -0.001 0.000 0.295 88 F C 2.245 177.828 175.800 -0.363 0.000 1.100 88 F CA 0.505 58.326 58.000 -0.298 0.000 1.260 88 F CB -0.781 38.056 39.000 -0.272 0.000 1.009 88 F HN 0.060 nan 8.300 nan 0.000 0.476 89 V N 0.919 120.475 119.914 -0.596 0.000 2.332 89 V HA -0.317 3.802 4.120 -0.002 0.000 0.248 89 V C 2.480 178.227 176.094 -0.578 0.000 1.055 89 V CA 2.102 63.922 62.300 -0.800 0.000 1.038 89 V CB -0.701 30.447 31.823 -1.126 0.000 0.651 89 V HN 0.260 nan 8.190 nan 0.000 0.450 90 K N -0.215 119.944 120.400 -0.402 0.000 2.002 90 K HA -0.248 4.071 4.320 -0.002 0.000 0.209 90 K C 2.018 178.483 176.600 -0.225 0.000 1.048 90 K CA 1.986 58.112 56.287 -0.268 0.000 0.930 90 K CB -0.389 32.006 32.500 -0.174 0.000 0.714 90 K HN 0.442 nan 8.250 nan 0.000 0.438 91 D N 0.878 121.154 120.400 -0.206 0.000 2.144 91 D HA -0.116 4.523 4.640 -0.002 0.000 0.199 91 D C 1.849 178.042 176.300 -0.178 0.000 0.984 91 D CA 0.879 54.789 54.000 -0.151 0.000 0.834 91 D CB 0.057 40.801 40.800 -0.094 0.000 0.955 91 D HN 0.067 nan 8.370 nan 0.000 0.465 92 L N -0.414 120.619 121.223 -0.316 0.000 2.056 92 L HA -0.100 4.239 4.340 -0.002 0.000 0.207 92 L C 2.459 179.242 176.870 -0.145 0.000 1.078 92 L CA 0.676 55.342 54.840 -0.290 0.000 0.749 92 L CB -0.267 41.460 42.059 -0.553 0.000 0.901 92 L HN 0.153 nan 8.230 nan 0.000 0.433 93 L N -0.964 120.132 121.223 -0.213 0.000 2.102 93 L HA -0.115 4.224 4.340 -0.002 0.000 0.202 93 L C 2.258 179.067 176.870 -0.102 0.000 1.076 93 L CA 0.885 55.633 54.840 -0.153 0.000 0.761 93 L CB -0.218 41.712 42.059 -0.213 0.000 0.921 93 L HN 0.220 nan 8.230 nan 0.000 0.444 94 L N -1.537 119.618 121.223 -0.112 0.000 2.375 94 L HA -0.001 4.338 4.340 -0.002 0.000 0.215 94 L C 1.771 178.603 176.870 -0.064 0.000 1.108 94 L CA 0.140 54.930 54.840 -0.082 0.000 0.830 94 L CB 0.172 42.179 42.059 -0.087 0.000 0.959 94 L HN 0.050 nan 8.230 nan 0.000 0.457 95 V N -1.458 118.422 119.914 -0.057 0.000 3.134 95 V HA 0.056 4.175 4.120 -0.002 0.000 0.222 95 V C 1.988 178.081 176.094 -0.002 0.000 1.247 95 V CA 0.167 62.447 62.300 -0.032 0.000 1.281 95 V CB -0.091 31.713 31.823 -0.032 0.000 1.169 95 V HN 0.168 nan 8.190 nan 0.000 0.512 96 R N 0.572 121.092 120.500 0.034 0.000 2.339 96 R HA 0.043 4.382 4.340 -0.002 0.000 0.199 96 R C -0.048 176.340 176.300 0.148 0.000 1.018 96 R CA 0.169 56.352 56.100 0.138 0.000 1.036 96 R CB -0.046 30.387 30.300 0.221 0.000 0.899 96 R HN 0.485 nan 8.270 nan 0.000 0.473 97 Q N -0.964 118.861 119.800 0.042 0.000 2.464 97 Q HA -0.220 4.119 4.340 -0.002 0.000 0.304 97 Q C -1.434 174.464 176.000 -0.170 0.000 1.401 97 Q CA 1.195 56.958 55.803 -0.066 0.000 0.806 97 Q CB -2.038 26.629 28.738 -0.119 0.000 1.134 97 Q HN 0.394 nan 8.270 nan 0.000 0.411 98 Y N -0.189 120.055 120.300 -0.094 0.000 2.524 98 Y HA 0.521 5.070 4.550 -0.001 0.000 0.344 98 Y C 1.003 176.842 175.900 -0.102 0.000 1.012 98 Y CA -1.105 56.939 58.100 -0.093 0.000 1.068 98 Y CB 1.326 39.710 38.460 -0.127 0.000 1.249 98 Y HN 0.152 nan 8.280 nan 0.000 0.468 99 R N 0.791 121.345 120.500 0.090 0.000 2.532 99 R HA 0.827 5.166 4.340 -0.002 0.000 0.295 99 R C -1.822 174.492 176.300 0.023 0.000 0.968 99 R CA -0.810 55.315 56.100 0.041 0.000 0.916 99 R CB 1.283 31.621 30.300 0.063 0.000 1.124 99 R HN 0.371 nan 8.270 nan 0.000 0.463 100 V N 1.946 121.844 119.914 -0.027 0.000 2.483 100 V HA 0.330 4.449 4.120 -0.002 0.000 0.295 100 V C -0.230 175.895 176.094 0.053 0.000 1.035 100 V CA -0.755 61.522 62.300 -0.039 0.000 0.896 100 V CB 1.616 33.316 31.823 -0.205 0.000 0.986 100 V HN 0.821 nan 8.190 nan 0.000 0.447 101 E N 2.752 122.993 120.200 0.069 0.000 2.216 101 E HA 0.511 4.860 4.350 -0.002 0.000 0.260 101 E C -1.537 175.070 176.600 0.013 0.000 0.880 101 E CA -0.496 55.905 56.400 0.002 0.000 0.765 101 E CB 2.465 32.149 29.700 -0.027 0.000 1.174 101 E HN 0.435 nan 8.360 nan 0.000 0.417 102 V N 4.261 124.194 119.914 0.032 0.000 2.370 102 V HA 0.301 4.420 4.120 -0.002 0.000 0.283 102 V C -0.872 175.155 176.094 -0.112 0.000 1.023 102 V CA -0.620 61.778 62.300 0.162 0.000 0.857 102 V CB 0.157 32.286 31.823 0.510 0.000 0.985 102 V HN 0.575 nan 8.190 nan 0.000 0.443 103 Y N 3.466 123.759 120.300 -0.011 0.000 2.387 103 Y HA 0.606 5.155 4.550 -0.002 0.000 0.330 103 Y C 0.463 176.448 175.900 0.143 0.000 1.133 103 Y CA -0.604 57.496 58.100 0.000 0.000 1.152 103 Y CB 1.679 40.163 38.460 0.040 0.000 1.215 103 Y HN 0.450 nan 8.280 nan 0.000 0.466 104 K N 1.384 121.760 120.400 -0.040 0.000 2.328 104 K HA 0.318 4.637 4.320 -0.002 0.000 0.246 104 K C -1.226 175.137 176.600 -0.396 0.000 0.955 104 K CA -1.252 54.916 56.287 -0.198 0.000 0.817 104 K CB 1.832 34.062 32.500 -0.450 0.000 1.208 104 K HN 0.505 nan 8.250 nan 0.000 0.432 105 N N 1.310 119.584 118.700 -0.711 0.000 2.456 105 N HA 0.137 4.875 4.740 -0.002 0.000 0.288 105 N C -0.874 174.393 175.510 -0.404 0.000 1.059 105 N CA -0.606 51.808 53.050 -1.060 0.000 0.946 105 N CB 1.046 38.497 38.487 -1.727 0.000 1.150 105 N HN 0.292 nan 8.380 nan 0.000 0.479 106 R N 2.544 122.902 120.500 -0.237 0.000 2.609 106 R HA 0.365 4.704 4.340 -0.002 0.000 0.271 106 R C -0.852 175.352 176.300 -0.159 0.000 1.403 106 R CA -0.223 55.825 56.100 -0.086 0.000 1.138 106 R CB -0.861 29.411 30.300 -0.047 0.000 1.142 106 R HN 0.537 nan 8.270 nan 0.000 0.559 107 A N 2.792 125.517 122.820 -0.157 0.000 2.302 107 A HA 0.572 4.891 4.320 -0.002 0.000 0.295 107 A C 0.572 178.100 177.584 -0.094 0.000 1.235 107 A CA -0.138 51.813 52.037 -0.144 0.000 0.876 107 A CB 0.666 19.573 19.000 -0.156 0.000 1.133 107 A HN 0.733 nan 8.150 nan 0.000 0.533 113 K N 2.853 123.240 120.400 -0.022 0.000 2.130 113 K HA 0.567 4.886 4.320 -0.002 0.000 0.268 113 K C 0.039 176.625 176.600 -0.023 0.000 0.983 113 K CA -0.962 55.304 56.287 -0.036 0.000 0.893 113 K CB 0.998 33.474 32.500 -0.041 0.000 1.066 113 K HN 0.567 nan 8.250 nan 0.000 0.450 114 E N 0.994 121.167 120.200 -0.046 0.000 2.819 114 E HA 0.286 4.635 4.350 -0.002 0.000 0.241 114 E C -0.260 176.323 176.600 -0.029 0.000 0.987 114 E CA -0.720 55.663 56.400 -0.028 0.000 1.024 114 E CB 0.555 30.231 29.700 -0.041 0.000 1.448 114 E HN 0.407 nan 8.360 nan 0.000 0.484 115 N N 1.417 120.105 118.700 -0.020 0.000 2.646 115 N HA 0.075 4.814 4.740 -0.002 0.000 0.303 115 N C -1.369 174.064 175.510 -0.128 0.000 1.921 115 N CA -0.081 52.981 53.050 0.021 0.000 0.872 115 N CB 0.531 39.120 38.487 0.171 0.000 1.327 115 N HN 0.268 nan 8.380 nan 0.000 0.492 116 D N 0.492 120.748 120.400 -0.239 0.000 2.468 116 D HA 0.139 4.778 4.640 -0.002 0.000 0.218 116 D C -0.774 175.424 176.300 -0.170 0.000 1.155 116 D CA -0.213 53.711 54.000 -0.126 0.000 0.924 116 D CB 0.161 40.928 40.800 -0.055 0.000 1.029 116 D HN 0.074 nan 8.370 nan 0.000 0.515 117 W N 4.419 125.638 121.300 -0.135 0.000 2.433 117 W HA 0.390 5.049 4.660 -0.002 0.000 0.315 117 W C -0.291 176.435 176.519 0.344 0.000 1.087 117 W CA -1.018 56.365 57.345 0.064 0.000 1.205 117 W CB 0.623 30.083 29.460 -0.001 0.000 1.288 117 W HN 0.216 nan 8.180 nan 0.000 0.504 118 Y N 0.841 121.418 120.300 0.461 0.000 2.562 118 Y HA 0.721 5.270 4.550 -0.002 0.000 0.343 118 Y C -0.740 175.364 175.900 0.339 0.000 1.025 118 Y CA -2.179 56.135 58.100 0.358 0.000 1.082 118 Y CB 0.692 39.237 38.460 0.142 0.000 1.264 118 Y HN 0.232 nan 8.280 nan 0.000 0.478 119 L N 3.422 124.783 121.223 0.230 0.000 2.454 119 L HA 0.460 4.799 4.340 -0.002 0.000 0.284 119 L C 0.790 177.558 176.870 -0.170 0.000 1.139 119 L CA 0.565 55.243 54.840 -0.269 0.000 0.911 119 L CB -0.220 41.700 42.059 -0.233 0.000 1.262 119 L HN 0.984 nan 8.230 nan 0.000 0.453 120 A N 4.746 127.329 122.820 -0.395 0.000 1.855 120 A HA 0.042 4.361 4.320 -0.002 0.000 0.213 120 A C 0.017 177.216 177.584 -0.642 0.000 1.195 120 A CA 1.108 52.834 52.037 -0.517 0.000 0.610 120 A CB -0.268 18.239 19.000 -0.820 0.000 0.837 120 A HN 0.606 nan 8.150 nan 0.000 0.444 121 Y N -1.432 118.831 120.300 -0.062 0.000 2.499 121 Y HA 0.634 5.183 4.550 -0.002 0.000 0.347 121 Y C -0.096 175.800 175.900 -0.007 0.000 0.987 121 Y CA -1.266 56.813 58.100 -0.034 0.000 1.044 121 Y CB 1.555 39.980 38.460 -0.058 0.000 1.245 121 Y HN 0.138 nan 8.280 nan 0.000 0.461 122 K N 1.760 122.273 120.400 0.187 0.000 2.426 122 K HA 0.903 5.222 4.320 -0.002 0.000 0.254 122 K C -1.647 175.058 176.600 0.175 0.000 0.936 122 K CA -0.608 55.748 56.287 0.114 0.000 0.801 122 K CB 1.357 33.858 32.500 0.002 0.000 1.139 122 K HN 0.852 nan 8.250 nan 0.000 0.424 123 A N 2.408 125.335 122.820 0.178 0.000 2.365 123 A HA 0.750 5.069 4.320 -0.002 0.000 0.318 123 A C -1.173 176.448 177.584 0.062 0.000 1.091 123 A CA -0.633 51.494 52.037 0.150 0.000 0.763 123 A CB 1.753 20.806 19.000 0.088 0.000 1.248 123 A HN 0.611 nan 8.150 nan 0.000 0.442 124 S N 1.884 117.628 115.700 0.073 0.000 2.546 124 S HA 0.557 5.026 4.470 -0.002 0.000 0.274 124 S C -2.316 172.326 174.600 0.071 0.000 1.121 124 S CA -0.937 57.325 58.200 0.103 0.000 0.887 124 S CB 2.009 65.357 63.200 0.246 0.000 1.094 124 S HN 0.461 nan 8.310 nan 0.000 0.474 125 P HA -0.069 nan 4.420 nan 0.000 0.216 125 P C 1.126 178.441 177.300 0.025 0.000 1.150 125 P CA 1.203 64.306 63.100 0.005 0.000 0.843 125 P CB 0.041 31.729 31.700 -0.019 0.000 0.787 126 G N -2.721 106.120 108.800 0.068 0.000 3.159 126 G HA2 0.002 3.961 3.960 -0.002 0.000 0.232 126 G HA3 0.002 3.961 3.960 -0.002 0.000 0.232 126 G C 0.353 175.337 174.900 0.140 0.000 1.116 126 G CA 0.103 45.251 45.100 0.080 0.000 0.767 126 G HN 0.174 nan 8.290 nan 0.000 0.547 127 N N 0.738 119.535 118.700 0.161 0.000 2.762 127 N HA 0.272 5.011 4.740 -0.002 0.000 0.252 127 N C 0.220 175.792 175.510 0.104 0.000 1.269 127 N CA -0.410 52.725 53.050 0.142 0.000 0.799 127 N CB 0.525 39.097 38.487 0.142 0.000 1.173 127 N HN -0.016 nan 8.380 nan 0.000 0.516 128 L N 0.852 122.136 121.223 0.102 0.000 2.912 128 L HA 0.264 4.603 4.340 -0.002 0.000 0.240 128 L C 1.266 178.212 176.870 0.127 0.000 1.262 128 L CA -0.086 54.825 54.840 0.117 0.000 1.058 128 L CB -0.011 42.101 42.059 0.089 0.000 1.383 128 L HN 0.253 nan 8.230 nan 0.000 0.512 129 S N -0.220 115.543 115.700 0.104 0.000 2.453 129 S HA -0.079 4.390 4.470 -0.002 0.000 0.231 129 S C 1.883 176.509 174.600 0.042 0.000 1.005 129 S CA 0.850 59.097 58.200 0.080 0.000 0.949 129 S CB 0.038 63.283 63.200 0.075 0.000 0.774 129 S HN 0.489 nan 8.310 nan 0.000 0.510 130 Q N -0.345 119.483 119.800 0.048 0.000 2.269 130 Q HA 0.177 4.516 4.340 -0.002 0.000 0.201 130 Q C 0.260 176.055 176.000 -0.342 0.000 0.946 130 Q CA 0.740 56.472 55.803 -0.120 0.000 0.877 130 Q CB -0.036 28.648 28.738 -0.089 0.000 0.963 130 Q HN 0.585 nan 8.270 nan 0.000 0.472 131 F N 1.120 121.039 119.950 -0.052 0.000 2.850 131 F HA 0.138 4.664 4.527 -0.002 0.000 0.306 131 F C 1.541 177.327 175.800 -0.023 0.000 1.162 131 F CA -0.374 57.592 58.000 -0.057 0.000 1.327 131 F CB 0.278 39.236 39.000 -0.069 0.000 0.953 131 F HN 0.104 nan 8.300 nan 0.000 0.507 132 E N -0.124 120.125 120.200 0.081 0.000 2.204 132 E HA -0.222 4.127 4.350 -0.002 0.000 0.195 132 E C 0.725 177.356 176.600 0.052 0.000 0.990 132 E CA 1.694 58.134 56.400 0.067 0.000 0.821 132 E CB -0.304 29.409 29.700 0.022 0.000 0.750 132 E HN 0.428 nan 8.360 nan 0.000 0.477 133 D N 0.105 120.520 120.400 0.026 0.000 2.363 133 D HA 0.099 4.738 4.640 -0.002 0.000 0.214 133 D C 1.432 177.783 176.300 0.084 0.000 1.093 133 D CA -0.135 53.875 54.000 0.016 0.000 0.837 133 D CB 0.057 40.837 40.800 -0.034 0.000 0.948 133 D HN 0.399 nan 8.370 nan 0.000 0.507 134 I N -0.553 120.099 120.570 0.136 0.000 3.812 134 I HA 0.081 4.250 4.170 -0.002 0.000 0.292 134 I C 1.832 178.028 176.117 0.132 0.000 1.206 134 I CA 0.007 61.402 61.300 0.158 0.000 1.370 134 I CB 0.451 38.598 38.000 0.245 0.000 1.328 134 I HN -0.136 nan 8.210 nan 0.000 0.453 135 L N 0.542 121.845 121.223 0.134 0.000 2.554 135 L HA 0.054 4.393 4.340 -0.002 0.000 0.226 135 L C 0.795 177.721 176.870 0.093 0.000 1.137 135 L CA 0.138 55.018 54.840 0.067 0.000 0.863 135 L CB -0.306 41.775 42.059 0.037 0.000 0.985 135 L HN 0.134 nan 8.230 nan 0.000 0.451 136 F N 1.691 121.646 119.950 0.007 0.000 2.484 136 F HA 0.121 4.646 4.527 -0.002 0.000 0.355 136 F C 1.165 176.963 175.800 -0.003 0.000 1.170 136 F CA 0.108 58.110 58.000 0.002 0.000 1.025 136 F CB 0.413 39.417 39.000 0.005 0.000 1.107 136 F HN -0.087 nan 8.300 nan 0.000 0.589 137 G N 4.006 112.533 108.800 -0.455 0.000 2.766 137 G HA2 -0.028 3.931 3.960 -0.002 0.000 0.201 137 G HA3 -0.028 3.931 3.960 -0.002 0.000 0.201 137 G C 0.803 175.398 174.900 -0.508 0.000 1.177 137 G CA 0.079 44.939 45.100 -0.400 0.000 0.773 137 G HN 0.501 nan 8.290 nan 0.000 0.648 138 N N 0.062 118.529 118.700 -0.389 0.000 2.677 138 N HA 0.131 4.870 4.740 -0.002 0.000 0.242 138 N C 0.233 175.605 175.510 -0.229 0.000 1.044 138 N CA -0.039 52.837 53.050 -0.290 0.000 0.934 138 N CB -0.045 38.343 38.487 -0.166 0.000 1.595 138 N HN 0.085 nan 8.380 nan 0.000 0.459 146 G N 5.106 113.912 108.800 0.010 0.000 3.601 146 G HA2 0.395 4.354 3.960 -0.002 0.000 0.192 146 G HA3 0.395 4.354 3.960 -0.002 0.000 0.192 146 G C -0.900 173.988 174.900 -0.020 0.000 1.184 146 G CA 0.315 45.405 45.100 -0.016 0.000 0.891 146 G HN 0.563 nan 8.290 nan 0.000 0.706 147 V N 2.246 122.162 119.914 0.004 0.000 2.444 147 V HA 0.682 4.801 4.120 -0.002 0.000 0.294 147 V C 0.070 176.160 176.094 -0.007 0.000 1.022 147 V CA -0.852 61.428 62.300 -0.034 0.000 0.850 147 V CB 1.413 33.222 31.823 -0.023 0.000 0.992 147 V HN 0.405 nan 8.190 nan 0.000 0.426 148 V N 1.685 121.573 119.914 -0.043 0.000 3.046 148 V HA 1.072 5.191 4.120 -0.002 0.000 0.316 148 V C 0.195 176.263 176.094 -0.043 0.000 1.104 148 V CA -0.671 61.635 62.300 0.011 0.000 1.006 148 V CB 2.057 33.887 31.823 0.011 0.000 1.058 148 V HN 0.932 nan 8.190 nan 0.000 0.440 149 G N 0.624 109.421 108.800 -0.005 0.000 2.626 149 G HA2 0.608 4.567 3.960 -0.002 0.000 0.304 149 G HA3 0.608 4.567 3.960 -0.002 0.000 0.304 149 G C -1.289 173.597 174.900 -0.023 0.000 1.385 149 G CA -0.559 44.515 45.100 -0.042 0.000 0.957 149 G HN 0.916 nan 8.290 nan 0.000 0.504 150 V N 2.606 122.489 119.914 -0.052 0.000 2.384 150 V HA 0.613 4.732 4.120 -0.002 0.000 0.287 150 V C 0.066 176.117 176.094 -0.072 0.000 1.020 150 V CA -0.653 61.615 62.300 -0.054 0.000 0.850 150 V CB 1.403 33.183 31.823 -0.072 0.000 0.987 150 V HN 0.750 nan 8.190 nan 0.000 0.436 151 K N 6.083 126.441 120.400 -0.070 0.000 2.513 151 K HA 0.746 5.065 4.320 -0.002 0.000 0.251 151 K C -0.877 175.675 176.600 -0.079 0.000 0.939 151 K CA -0.678 55.567 56.287 -0.069 0.000 0.793 151 K CB 2.054 34.521 32.500 -0.055 0.000 1.241 151 K HN 0.809 nan 8.250 nan 0.000 0.431 152 M N 0.460 120.020 119.600 -0.065 0.000 2.777 152 M HA 0.637 5.116 4.480 -0.002 0.000 0.307 152 M C -0.874 175.401 176.300 -0.041 0.000 1.228 152 M CA -0.667 54.597 55.300 -0.059 0.000 0.871 152 M CB 2.065 34.654 32.600 -0.018 0.000 1.721 152 M HN 0.501 nan 8.290 nan 0.000 0.487 153 S N 0.019 115.696 115.700 -0.039 0.000 2.536 153 S HA 0.782 5.251 4.470 -0.002 0.000 0.271 153 S C -0.462 174.125 174.600 -0.022 0.000 1.134 153 S CA -0.468 57.715 58.200 -0.028 0.000 0.897 153 S CB 1.805 64.986 63.200 -0.032 0.000 1.094 153 S HN 1.023 nan 8.310 nan 0.000 0.473 154 A N 1.979 124.791 122.820 -0.014 0.000 2.577 154 A HA 0.549 4.868 4.320 -0.002 0.000 0.280 154 A C 0.191 177.768 177.584 -0.012 0.000 1.331 154 A CA -0.405 51.626 52.037 -0.011 0.000 0.935 154 A CB -0.481 18.516 19.000 -0.005 0.000 1.082 154 A HN 0.870 nan 8.150 nan 0.000 0.525 155 V N 1.244 121.150 119.914 -0.014 0.000 2.415 155 V HA 0.517 4.636 4.120 -0.002 0.000 0.267 155 V C 0.417 176.505 176.094 -0.011 0.000 1.042 155 V CA 0.783 63.076 62.300 -0.012 0.000 1.000 155 V CB -0.223 31.593 31.823 -0.013 0.000 1.015 155 V HN 0.660 nan 8.190 nan 0.000 0.478 159 R N 0.698 121.177 120.500 -0.035 0.000 2.312 159 R HA 0.412 4.751 4.340 -0.002 0.000 0.310 159 R C -0.524 175.734 176.300 -0.070 0.000 1.064 159 R CA -0.910 55.166 56.100 -0.040 0.000 0.983 159 R CB 1.171 31.456 30.300 -0.025 0.000 1.139 159 R HN 0.201 nan 8.270 nan 0.000 0.536 160 Q N 2.900 122.654 119.800 -0.077 0.000 2.348 160 Q HA 0.124 4.463 4.340 -0.002 0.000 0.251 160 Q C -0.716 175.166 176.000 -0.196 0.000 1.113 160 Q CA -0.141 55.590 55.803 -0.121 0.000 0.902 160 Q CB 0.857 29.552 28.738 -0.071 0.000 1.333 160 Q HN 0.564 nan 8.270 nan 0.000 0.457 161 V N 3.456 123.144 119.914 -0.376 0.000 2.530 161 V HA 0.612 4.731 4.120 -0.002 0.000 0.282 161 V C 0.721 176.497 176.094 -0.531 0.000 1.048 161 V CA -0.107 61.912 62.300 -0.469 0.000 0.997 161 V CB 1.295 32.755 31.823 -0.607 0.000 0.987 161 V HN 0.809 nan 8.190 nan 0.000 0.477 162 G N 3.540 112.182 108.800 -0.263 0.000 2.478 162 G HA2 0.600 4.559 3.960 -0.002 0.000 0.317 162 G HA3 0.600 4.559 3.960 -0.002 0.000 0.317 162 G C -1.180 173.694 174.900 -0.042 0.000 1.259 162 G CA -0.378 44.644 45.100 -0.130 0.000 0.933 162 G HN 0.549 nan 8.290 nan 0.000 0.478 163 V N 1.708 121.662 119.914 0.068 0.000 2.444 163 V HA 0.809 4.928 4.120 -0.002 0.000 0.294 163 V C 0.606 176.790 176.094 0.149 0.000 1.022 163 V CA -0.484 61.895 62.300 0.131 0.000 0.850 163 V CB 1.589 33.555 31.823 0.239 0.000 0.992 163 V HN 0.943 nan 8.190 nan 0.000 0.426 164 G N 3.791 112.650 108.800 0.099 0.000 2.452 164 G HA2 0.767 4.726 3.960 -0.002 0.000 0.324 164 G HA3 0.767 4.726 3.960 -0.002 0.000 0.324 164 G C -1.426 173.542 174.900 0.113 0.000 1.214 164 G CA -0.519 44.608 45.100 0.046 0.000 0.947 164 G HN 0.815 nan 8.290 nan 0.000 0.478 165 Y N -0.951 119.353 120.300 0.007 0.000 2.644 165 Y HA 0.782 5.331 4.550 -0.001 0.000 0.338 165 Y C -1.261 174.633 175.900 -0.010 0.000 1.119 165 Y CA -1.719 56.379 58.100 -0.003 0.000 1.060 165 Y CB 1.719 40.187 38.460 0.014 0.000 1.294 165 Y HN 0.421 nan 8.280 nan 0.000 0.472 166 V N 1.942 121.962 119.914 0.178 0.000 2.447 166 V HA 0.255 4.374 4.120 -0.002 0.000 0.292 166 V C -1.379 174.839 176.094 0.206 0.000 1.021 166 V CA -0.556 61.785 62.300 0.068 0.000 0.850 166 V CB 1.368 33.153 31.823 -0.062 0.000 1.005 166 V HN 0.807 nan 8.190 nan 0.000 0.426 167 D N 3.026 123.589 120.400 0.273 0.000 2.428 167 D HA 0.239 4.878 4.640 -0.002 0.000 0.221 167 D C 1.311 177.777 176.300 0.276 0.000 1.123 167 D CA 0.245 54.404 54.000 0.266 0.000 0.869 167 D CB 1.646 42.624 40.800 0.296 0.000 1.032 167 D HN 0.550 nan 8.370 nan 0.000 0.506 168 S N 3.946 119.783 115.700 0.228 0.000 2.406 168 S HA -0.107 4.362 4.470 -0.002 0.000 0.228 168 S C 1.981 176.695 174.600 0.189 0.000 1.020 168 S CA 0.160 58.515 58.200 0.259 0.000 0.965 168 S CB -0.023 63.300 63.200 0.206 0.000 0.798 168 S HN 0.477 nan 8.310 nan 0.000 0.488 169 I N 2.019 122.671 120.570 0.137 0.000 2.163 169 I HA -0.067 4.102 4.170 -0.002 0.000 0.240 169 I C 2.345 178.510 176.117 0.080 0.000 1.081 169 I CA 1.380 62.736 61.300 0.094 0.000 1.353 169 I CB -1.223 36.814 38.000 0.063 0.000 1.054 169 I HN 0.386 nan 8.210 nan 0.000 0.407 170 Q N 0.618 120.474 119.800 0.094 0.000 2.360 170 Q HA 0.104 4.443 4.340 -0.002 0.000 0.202 170 Q C 0.008 176.055 176.000 0.080 0.000 0.915 170 Q CA -0.068 55.785 55.803 0.084 0.000 0.943 170 Q CB 0.234 29.029 28.738 0.095 0.000 1.064 170 Q HN 0.439 nan 8.270 nan 0.000 0.511 171 R N 0.675 121.230 120.500 0.092 0.000 3.184 171 R HA -0.138 4.201 4.340 -0.002 0.000 0.257 171 R C -0.855 175.580 176.300 0.226 0.000 0.999 171 R CA 0.368 56.462 56.100 -0.010 0.000 0.670 171 R CB -1.606 28.509 30.300 -0.310 0.000 1.197 171 R HN -0.040 nan 8.270 nan 0.000 0.419 172 K N 0.881 121.512 120.400 0.384 0.000 2.471 172 K HA 0.469 4.788 4.320 -0.002 0.000 0.252 172 K C -0.383 176.353 176.600 0.228 0.000 0.938 172 K CA -0.503 55.979 56.287 0.325 0.000 0.796 172 K CB 1.534 34.195 32.500 0.268 0.000 1.161 172 K HN 0.104 nan 8.250 nan 0.000 0.425 173 L N 2.629 123.911 121.223 0.098 0.000 2.278 173 L HA 0.504 4.843 4.340 -0.002 0.000 0.287 173 L C 0.713 177.425 176.870 -0.263 0.000 1.072 173 L CA -0.542 54.214 54.840 -0.140 0.000 0.819 173 L CB 1.189 43.136 42.059 -0.186 0.000 1.176 173 L HN 0.687 nan 8.230 nan 0.000 0.435 174 G N 3.879 112.295 108.800 -0.640 0.000 2.410 174 G HA2 0.737 4.696 3.960 -0.002 0.000 0.330 174 G HA3 0.737 4.696 3.960 -0.002 0.000 0.330 174 G C -1.070 173.435 174.900 -0.660 0.000 1.142 174 G CA -0.407 44.029 45.100 -1.106 0.000 0.902 174 G HN 0.440 nan 8.290 nan 0.000 0.491 175 L N -1.060 119.974 121.223 -0.315 0.000 2.582 175 L HA 0.857 5.196 4.340 -0.002 0.000 0.257 175 L C -0.786 176.140 176.870 0.094 0.000 0.974 175 L CA -1.303 53.496 54.840 -0.068 0.000 0.851 175 L CB 1.367 43.391 42.059 -0.058 0.000 1.424 175 L HN 0.721 nan 8.230 nan 0.000 0.412 176 C N 0.536 119.929 119.300 0.155 0.000 3.090 176 C HA 0.776 5.235 4.460 -0.002 0.000 0.347 176 C C -1.466 173.663 174.990 0.230 0.000 1.147 176 C CA 0.074 59.243 59.018 0.252 0.000 1.305 176 C CB 1.820 29.781 27.740 0.369 0.000 1.692 176 C HN 1.019 nan 8.230 nan 0.000 0.506 177 E N 2.636 122.994 120.200 0.264 0.000 2.293 177 E HA 0.817 5.166 4.350 -0.002 0.000 0.270 177 E C -1.495 175.297 176.600 0.319 0.000 0.879 177 E CA -0.380 56.112 56.400 0.153 0.000 0.756 177 E CB 2.332 32.073 29.700 0.068 0.000 1.208 177 E HN 0.599 nan 8.360 nan 0.000 0.428 178 F N -0.592 119.388 119.950 0.048 0.000 2.708 178 F HA 0.462 4.988 4.527 -0.002 0.000 0.309 178 F C -3.164 172.643 175.800 0.011 0.000 1.120 178 F CA -2.462 55.566 58.000 0.046 0.000 0.978 178 F CB 0.704 39.658 39.000 -0.078 0.000 1.283 178 F HN 0.114 nan 8.300 nan 0.000 0.439 179 P HA 0.272 nan 4.420 nan 0.000 0.281 179 P C -1.252 176.135 177.300 0.145 0.000 1.252 179 P CA 0.319 63.457 63.100 0.064 0.000 0.778 179 P CB 1.156 32.905 31.700 0.081 0.000 0.895 180 D N 1.465 121.898 120.400 0.055 0.000 2.350 180 D HA 0.285 4.924 4.640 -0.002 0.000 0.238 180 D C 0.151 176.418 176.300 -0.055 0.000 0.989 180 D CA -0.672 53.387 54.000 0.098 0.000 0.921 180 D CB 1.275 42.187 40.800 0.187 0.000 1.297 180 D HN 0.218 nan 8.370 nan 0.000 0.490 181 N N -0.022 118.626 118.700 -0.086 0.000 2.292 181 N HA 0.032 4.771 4.740 -0.002 0.000 0.278 181 N C 0.147 175.426 175.510 -0.385 0.000 1.289 181 N CA -0.407 52.543 53.050 -0.166 0.000 0.934 181 N CB 0.421 38.851 38.487 -0.095 0.000 1.069 181 N HN 0.386 nan 8.380 nan 0.000 0.513 182 D N -0.263 119.951 120.400 -0.310 0.000 2.216 182 D HA -0.040 4.599 4.640 -0.002 0.000 0.208 182 D C 1.029 177.089 176.300 -0.401 0.000 0.960 182 D CA 1.145 54.928 54.000 -0.362 0.000 0.861 182 D CB -0.101 40.593 40.800 -0.178 0.000 0.985 182 D HN 0.358 nan 8.370 nan 0.000 0.493 183 Q N -0.470 119.201 119.800 -0.214 0.000 2.360 183 Q HA 0.231 4.570 4.340 -0.002 0.000 0.202 183 Q C -0.412 175.663 176.000 0.126 0.000 0.915 183 Q CA -0.276 55.512 55.803 -0.024 0.000 0.943 183 Q CB -0.274 28.468 28.738 0.007 0.000 1.064 183 Q HN 0.094 nan 8.270 nan 0.000 0.511 184 F N -0.508 119.451 119.950 0.015 0.000 2.905 184 F HA -0.294 4.231 4.527 -0.003 0.000 0.291 184 F C 1.325 177.138 175.800 0.022 0.000 1.002 184 F CA 0.641 58.658 58.000 0.029 0.000 0.978 184 F CB -2.034 36.979 39.000 0.023 0.000 1.036 184 F HN 0.132 nan 8.300 nan 0.000 0.820 185 S N -0.036 115.727 115.700 0.104 0.000 2.371 185 S HA -0.142 4.327 4.470 -0.002 0.000 0.224 185 S C 1.939 176.555 174.600 0.027 0.000 1.029 185 S CA 1.769 60.006 58.200 0.062 0.000 0.978 185 S CB 0.014 63.235 63.200 0.034 0.000 0.833 185 S HN 0.580 nan 8.310 nan 0.000 0.466 186 N N 1.424 120.127 118.700 0.005 0.000 2.331 186 N HA 0.009 4.748 4.740 -0.002 0.000 0.180 186 N C 1.477 176.787 175.510 -0.334 0.000 1.019 186 N CA 0.615 53.534 53.050 -0.219 0.000 0.881 186 N CB -0.600 37.692 38.487 -0.326 0.000 0.972 186 N HN 0.336 nan 8.380 nan 0.000 0.435 187 L N 1.604 122.843 121.223 0.027 0.000 2.093 187 L HA -0.040 4.299 4.340 -0.002 0.000 0.208 187 L C 1.745 178.608 176.870 -0.011 0.000 1.085 187 L CA 1.608 56.507 54.840 0.099 0.000 0.755 187 L CB -0.484 41.733 42.059 0.264 0.000 0.904 187 L HN 0.124 nan 8.230 nan 0.000 0.435 188 E N -0.301 119.903 120.200 0.006 0.000 2.051 188 E HA -0.218 4.131 4.350 -0.002 0.000 0.192 188 E C 2.177 178.757 176.600 -0.034 0.000 0.991 188 E CA 1.210 57.606 56.400 -0.006 0.000 0.799 188 E CB -0.374 29.337 29.700 0.018 0.000 0.748 188 E HN 0.622 nan 8.360 nan 0.000 0.449 189 A N 1.186 123.976 122.820 -0.050 0.000 1.978 189 A HA -0.177 4.142 4.320 -0.002 0.000 0.220 189 A C 2.158 179.715 177.584 -0.044 0.000 1.170 189 A CA 1.098 53.118 52.037 -0.029 0.000 0.636 189 A CB -0.441 18.560 19.000 0.002 0.000 0.810 189 A HN 0.210 nan 8.150 nan 0.000 0.448 190 L N -0.441 120.701 121.223 -0.135 0.000 2.044 190 L HA 0.022 4.361 4.340 -0.002 0.000 0.205 190 L C 2.190 179.014 176.870 -0.078 0.000 1.075 190 L CA 1.526 56.296 54.840 -0.116 0.000 0.747 190 L CB -0.443 41.467 42.059 -0.248 0.000 0.903 190 L HN 0.373 nan 8.230 nan 0.000 0.435 191 L N -0.878 120.301 121.223 -0.072 0.000 2.265 191 L HA -0.198 4.141 4.340 -0.002 0.000 0.215 191 L C 2.393 179.213 176.870 -0.084 0.000 1.117 191 L CA 1.022 55.817 54.840 -0.074 0.000 0.782 191 L CB -0.428 41.597 42.059 -0.057 0.000 0.914 191 L HN 0.323 nan 8.230 nan 0.000 0.441 192 I N -0.817 119.717 120.570 -0.061 0.000 2.333 192 I HA -0.237 3.932 4.170 -0.002 0.000 0.246 192 I C 2.471 178.547 176.117 -0.068 0.000 1.106 192 I CA 1.034 62.304 61.300 -0.050 0.000 1.411 192 I CB -0.149 37.847 38.000 -0.006 0.000 1.082 192 I HN 0.302 nan 8.210 nan 0.000 0.420 193 Q N 0.311 120.070 119.800 -0.068 0.000 2.167 193 Q HA -0.137 4.202 4.340 -0.002 0.000 0.202 193 Q C 2.200 178.101 176.000 -0.167 0.000 0.970 193 Q CA 1.183 56.924 55.803 -0.104 0.000 0.855 193 Q CB 0.184 28.883 28.738 -0.065 0.000 0.911 193 Q HN 0.444 nan 8.270 nan 0.000 0.438 194 I N -0.632 119.829 120.570 -0.182 0.000 2.339 194 I HA 0.012 4.181 4.170 -0.002 0.000 0.245 194 I C 1.200 177.186 176.117 -0.219 0.000 1.096 194 I CA 1.125 62.268 61.300 -0.261 0.000 1.408 194 I CB -1.347 36.456 38.000 -0.329 0.000 1.092 194 I HN 0.281 nan 8.210 nan 0.000 0.423 195 G N 4.279 112.968 108.800 -0.185 0.000 2.415 195 G HA2 -0.160 3.799 3.960 -0.002 0.000 0.283 195 G HA3 -0.160 3.799 3.960 -0.002 0.000 0.283 195 G C -2.136 172.658 174.900 -0.176 0.000 1.014 195 G CA -0.096 44.887 45.100 -0.195 0.000 1.323 195 G HN 0.251 nan 8.290 nan 0.000 0.502 196 P HA 0.494 nan 4.420 nan 0.000 0.306 196 P C 0.547 177.781 177.300 -0.109 0.000 1.309 196 P CA -0.485 62.546 63.100 -0.116 0.000 0.759 196 P CB 1.113 32.753 31.700 -0.100 0.000 1.314 197 K N -1.832 118.516 120.400 -0.087 0.000 2.511 197 K HA 0.233 4.552 4.320 -0.002 0.000 0.209 197 K C 0.576 177.128 176.600 -0.079 0.000 1.301 197 K CA 0.157 56.395 56.287 -0.081 0.000 0.967 197 K CB 1.151 33.613 32.500 -0.063 0.000 1.109 197 K HN 0.445 nan 8.250 nan 0.000 0.561 198 E N 0.250 120.400 120.200 -0.083 0.000 2.383 198 E HA 0.363 4.712 4.350 -0.002 0.000 0.275 198 E C -1.991 174.524 176.600 -0.142 0.000 0.918 198 E CA -0.823 55.513 56.400 -0.107 0.000 0.764 198 E CB 2.460 32.106 29.700 -0.089 0.000 1.252 198 E HN 0.066 nan 8.360 nan 0.000 0.449 199 C N 3.452 122.651 119.300 -0.168 0.000 2.698 199 C HA 0.717 5.176 4.460 -0.002 0.000 0.309 199 C C -1.121 173.739 174.990 -0.216 0.000 1.186 199 C CA -0.363 58.551 59.018 -0.174 0.000 1.474 199 C CB 0.583 28.247 27.740 -0.127 0.000 2.020 199 C HN 0.543 nan 8.230 nan 0.000 0.474 200 V N 4.524 124.300 119.914 -0.229 0.000 2.547 200 V HA 0.818 4.937 4.120 -0.002 0.000 0.299 200 V C -0.738 175.270 176.094 -0.143 0.000 1.040 200 V CA -0.484 61.680 62.300 -0.226 0.000 0.913 200 V CB 1.411 33.057 31.823 -0.295 0.000 0.992 200 V HN 0.856 nan 8.190 nan 0.000 0.449 201 L N 3.600 124.752 121.223 -0.117 0.000 2.409 201 L HA 0.530 4.869 4.340 -0.002 0.000 0.262 201 L C -1.988 174.841 176.870 -0.068 0.000 0.992 201 L CA -1.666 53.119 54.840 -0.091 0.000 0.817 201 L CB 2.718 44.722 42.059 -0.093 0.000 1.350 201 L HN 0.364 nan 8.230 nan 0.000 0.411 202 P HA -0.014 nan 4.420 nan 0.000 0.213 202 P C 0.244 177.523 177.300 -0.036 0.000 1.170 202 P CA 0.945 64.020 63.100 -0.041 0.000 0.889 202 P CB 0.187 31.865 31.700 -0.037 0.000 0.782 203 G N -0.610 108.167 108.800 -0.039 0.000 2.684 203 G HA2 0.170 4.128 3.960 -0.002 0.000 0.229 203 G HA3 0.170 4.128 3.960 -0.002 0.000 0.229 203 G C 0.234 175.119 174.900 -0.024 0.000 0.927 203 G CA -0.322 44.758 45.100 -0.034 0.000 1.147 203 G HN 0.641 nan 8.290 nan 0.000 0.402 204 G N 1.825 110.612 108.800 -0.021 0.000 4.220 204 G HA2 0.683 4.642 3.960 -0.002 0.000 0.256 204 G HA3 0.683 4.642 3.960 -0.002 0.000 0.256 204 G C -0.498 174.394 174.900 -0.012 0.000 1.520 204 G CA 0.464 45.555 45.100 -0.015 0.000 0.608 204 G HN 1.282 nan 8.290 nan 0.000 0.415 205 E N -0.705 119.489 120.200 -0.011 0.000 2.372 205 E HA 0.384 4.733 4.350 -0.002 0.000 0.279 205 E C -0.622 175.975 176.600 -0.005 0.000 0.946 205 E CA -0.954 55.442 56.400 -0.007 0.000 0.769 205 E CB 0.819 30.516 29.700 -0.005 0.000 1.230 205 E HN 0.249 nan 8.360 nan 0.000 0.442 206 T N -0.515 114.037 114.554 -0.003 0.000 3.455 206 T HA 0.531 4.880 4.350 -0.002 0.000 0.286 206 T C 0.624 175.324 174.700 0.001 0.000 1.157 206 T CA -0.011 62.088 62.100 -0.001 0.000 1.090 206 T CB -0.808 68.059 68.868 -0.001 0.000 1.112 206 T HN 1.358 nan 8.240 nan 0.000 0.779 207 A N 1.474 124.294 122.820 0.000 0.000 2.108 207 A HA 0.193 4.512 4.320 -0.002 0.000 0.270 207 A C 0.780 178.368 177.584 0.007 0.000 1.390 207 A CA 0.340 52.379 52.037 0.003 0.000 0.729 207 A CB -1.553 17.450 19.000 0.005 0.000 1.185 207 A HN 1.534 nan 8.150 nan 0.000 0.318 208 G N -0.278 108.526 108.800 0.008 0.000 3.211 208 G HA2 0.534 4.493 3.960 -0.002 0.000 0.167 208 G HA3 0.534 4.493 3.960 -0.002 0.000 0.167 208 G C 0.456 175.372 174.900 0.026 0.000 1.212 208 G CA 0.643 45.752 45.100 0.014 0.000 0.928 208 G HN 0.500 nan 8.290 nan 0.000 0.607 209 D N -0.806 119.616 120.400 0.037 0.000 2.224 209 D HA -0.048 4.591 4.640 -0.002 0.000 0.205 209 D C 2.450 178.798 176.300 0.081 0.000 0.965 209 D CA 0.640 54.684 54.000 0.074 0.000 0.852 209 D CB 0.049 40.899 40.800 0.082 0.000 0.947 209 D HN 0.078 nan 8.370 nan 0.000 0.494 210 M N -0.205 119.409 119.600 0.024 0.000 2.279 210 M HA 0.024 4.503 4.480 -0.002 0.000 0.264 210 M C 2.234 178.502 176.300 -0.053 0.000 1.062 210 M CA 0.975 56.257 55.300 -0.030 0.000 1.099 210 M CB -1.209 31.367 32.600 -0.041 0.000 1.394 210 M HN 0.106 nan 8.290 nan 0.000 0.426 211 G N 0.254 109.045 108.800 -0.016 0.000 2.442 211 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.219 211 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.219 211 G C 1.735 176.626 174.900 -0.016 0.000 1.141 211 G CA 1.199 46.289 45.100 -0.017 0.000 0.763 211 G HN 0.339 nan 8.290 nan 0.000 0.554 212 K N 0.271 120.688 120.400 0.029 0.000 2.155 212 K HA 0.169 4.488 4.320 -0.002 0.000 0.203 212 K C 2.259 178.828 176.600 -0.051 0.000 1.052 212 K CA 0.640 56.975 56.287 0.080 0.000 0.948 212 K CB -0.487 32.158 32.500 0.242 0.000 0.728 212 K HN 0.335 nan 8.250 nan 0.000 0.448 213 L N 0.071 121.119 121.223 -0.292 0.000 2.156 213 L HA -0.051 4.288 4.340 -0.002 0.000 0.208 213 L C 2.022 178.692 176.870 -0.332 0.000 1.095 213 L CA 1.053 55.490 54.840 -0.671 0.000 0.770 213 L CB -0.071 41.481 42.059 -0.844 0.000 0.914 213 L HN 0.110 nan 8.230 nan 0.000 0.439 214 R N -0.719 119.664 120.500 -0.195 0.000 2.092 214 R HA -0.144 4.195 4.340 -0.002 0.000 0.231 214 R C 2.236 178.476 176.300 -0.099 0.000 1.119 214 R CA 1.589 57.610 56.100 -0.131 0.000 0.970 214 R CB -0.273 29.972 30.300 -0.092 0.000 0.864 214 R HN 0.531 nan 8.270 nan 0.000 0.440 215 Q N 0.135 119.890 119.800 -0.074 0.000 2.167 215 Q HA -0.108 4.231 4.340 -0.002 0.000 0.202 215 Q C 2.023 178.000 176.000 -0.039 0.000 0.970 215 Q CA 0.843 56.622 55.803 -0.040 0.000 0.855 215 Q CB 0.061 28.794 28.738 -0.009 0.000 0.911 215 Q HN 0.264 nan 8.270 nan 0.000 0.438 216 I N 0.744 121.280 120.570 -0.058 0.000 2.179 216 I HA -0.243 3.926 4.170 -0.002 0.000 0.242 216 I C 2.223 178.306 176.117 -0.057 0.000 1.088 216 I CA 1.457 62.733 61.300 -0.041 0.000 1.357 216 I CB -0.841 37.129 38.000 -0.051 0.000 1.051 216 I HN 0.247 nan 8.210 nan 0.000 0.409 217 I N 0.086 120.600 120.570 -0.093 0.000 2.286 217 I HA -0.277 3.892 4.170 -0.002 0.000 0.245 217 I C 2.556 178.630 176.117 -0.071 0.000 1.104 217 I CA 0.997 62.246 61.300 -0.086 0.000 1.397 217 I CB -0.398 37.536 38.000 -0.109 0.000 1.072 217 I HN 0.299 nan 8.210 nan 0.000 0.417 218 Q N 0.847 120.606 119.800 -0.068 0.000 2.124 218 Q HA -0.197 4.142 4.340 -0.002 0.000 0.202 218 Q C 2.087 178.061 176.000 -0.043 0.000 0.977 218 Q CA 1.368 57.136 55.803 -0.059 0.000 0.850 218 Q CB -0.155 28.551 28.738 -0.055 0.000 0.901 218 Q HN 0.578 nan 8.270 nan 0.000 0.429 219 R N -0.577 119.905 120.500 -0.031 0.000 2.313 219 R HA 0.081 4.420 4.340 -0.002 0.000 0.199 219 R C 1.545 177.835 176.300 -0.017 0.000 0.958 219 R CA 0.825 56.915 56.100 -0.017 0.000 1.047 219 R CB -0.031 30.267 30.300 -0.004 0.000 0.955 219 R HN 0.065 nan 8.270 nan 0.000 0.481 220 G N 0.046 108.828 108.800 -0.029 0.000 2.838 220 G HA2 0.240 4.199 3.960 -0.002 0.000 0.210 220 G HA3 0.240 4.199 3.960 -0.002 0.000 0.210 220 G C 1.036 175.912 174.900 -0.041 0.000 1.153 220 G CA 0.269 45.350 45.100 -0.031 0.000 0.778 220 G HN 0.511 nan 8.290 nan 0.000 0.539 221 G N -0.294 108.479 108.800 -0.046 0.000 2.234 221 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.235 221 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.235 221 G C 0.293 175.151 174.900 -0.071 0.000 0.997 221 G CA 0.084 45.153 45.100 -0.053 0.000 0.623 221 G HN 0.371 nan 8.290 nan 0.000 0.514 222 I N 1.945 122.469 120.570 -0.076 0.000 2.533 222 I HA 0.432 4.601 4.170 -0.002 0.000 0.284 222 I C 0.782 176.842 176.117 -0.095 0.000 1.109 222 I CA -0.535 60.712 61.300 -0.088 0.000 1.412 222 I CB 1.007 38.953 38.000 -0.090 0.000 1.396 222 I HN 0.255 nan 8.210 nan 0.000 0.543 223 L N 8.353 129.514 121.223 -0.103 0.000 2.416 223 L HA 0.362 4.701 4.340 -0.002 0.000 0.272 223 L C -0.298 176.504 176.870 -0.113 0.000 1.161 223 L CA 0.480 55.251 54.840 -0.114 0.000 0.845 223 L CB 0.124 42.110 42.059 -0.121 0.000 1.119 223 L HN 0.385 nan 8.230 nan 0.000 0.464 224 I N 4.680 125.184 120.570 -0.109 0.000 2.312 224 I HA 0.232 4.401 4.170 -0.002 0.000 0.290 224 I C -0.288 175.770 176.117 -0.099 0.000 1.008 224 I CA -0.254 60.981 61.300 -0.109 0.000 1.226 224 I CB 0.978 38.919 38.000 -0.099 0.000 1.371 224 I HN 0.575 nan 8.210 nan 0.000 0.468 225 T N 5.643 120.126 114.554 -0.118 0.000 2.874 225 T HA 0.264 4.613 4.350 -0.002 0.000 0.321 225 T C -0.099 174.546 174.700 -0.092 0.000 1.075 225 T CA -0.651 61.396 62.100 -0.088 0.000 0.966 225 T CB 0.357 69.171 68.868 -0.091 0.000 1.001 225 T HN 0.474 nan 8.240 nan 0.000 0.476 226 E N 2.794 122.963 120.200 -0.052 0.000 2.366 226 E HA 0.398 4.747 4.350 -0.002 0.000 0.266 226 E C 0.431 177.026 176.600 -0.010 0.000 1.051 226 E CA -0.482 55.892 56.400 -0.043 0.000 0.884 226 E CB 1.314 30.993 29.700 -0.035 0.000 1.006 226 E HN 0.419 nan 8.360 nan 0.000 0.417 227 R N 1.138 121.632 120.500 -0.010 0.000 3.084 227 R HA 0.343 4.682 4.340 -0.002 0.000 0.234 227 R C 0.028 176.334 176.300 0.010 0.000 1.433 227 R CA -0.939 55.173 56.100 0.021 0.000 1.053 227 R CB 0.668 30.990 30.300 0.036 0.000 1.449 227 R HN 0.283 nan 8.270 nan 0.000 0.505 228 K N 1.532 121.942 120.400 0.016 0.000 2.911 228 K HA 0.093 4.412 4.320 -0.002 0.000 0.239 228 K C -0.483 176.115 176.600 -0.004 0.000 1.090 228 K CA 0.173 56.463 56.287 0.005 0.000 1.225 228 K CB -0.068 32.436 32.500 0.007 0.000 1.087 228 K HN 0.434 nan 8.250 nan 0.000 0.464 229 K N -1.097 119.298 120.400 -0.009 0.000 3.130 229 K HA -0.224 4.095 4.320 -0.002 0.000 0.282 229 K C 0.002 176.592 176.600 -0.016 0.000 1.145 229 K CA 0.733 57.011 56.287 -0.014 0.000 0.831 229 K CB -1.549 30.943 32.500 -0.013 0.000 1.226 229 K HN 0.376 nan 8.250 nan 0.000 0.478 230 A N 1.426 124.237 122.820 -0.016 0.000 3.260 230 A HA 0.194 4.513 4.320 -0.002 0.000 0.268 230 A C -0.370 177.199 177.584 -0.025 0.000 1.491 230 A CA -0.329 51.694 52.037 -0.024 0.000 1.181 230 A CB 0.018 19.000 19.000 -0.030 0.000 1.137 230 A HN 0.186 nan 8.150 nan 0.000 0.642 231 D N 0.500 120.886 120.400 -0.022 0.000 3.163 231 D HA 0.285 4.924 4.640 -0.002 0.000 0.284 231 D C 0.282 176.571 176.300 -0.019 0.000 1.368 231 D CA 0.166 54.152 54.000 -0.022 0.000 0.895 231 D CB -0.430 40.355 40.800 -0.025 0.000 1.061 231 D HN 0.402 nan 8.370 nan 0.000 0.496 232 F N 1.335 121.274 119.950 -0.018 0.000 2.578 232 F HA 0.209 4.735 4.527 -0.002 0.000 0.381 232 F C 1.992 177.791 175.800 -0.001 0.000 1.069 232 F CA -0.181 57.815 58.000 -0.008 0.000 1.231 232 F CB 0.088 39.085 39.000 -0.005 0.000 1.086 232 F HN 0.218 nan 8.300 nan 0.000 0.564 233 S N 1.311 117.011 115.700 0.000 0.000 2.343 233 S HA -0.069 4.400 4.470 -0.002 0.000 0.219 233 S C 1.016 175.623 174.600 0.011 0.000 1.033 233 S CA 1.443 59.643 58.200 0.001 0.000 1.014 233 S CB -1.078 62.120 63.200 -0.002 0.000 0.915 233 S HN 1.721 nan 8.310 nan 0.000 0.435 234 T N -0.104 114.462 114.554 0.019 0.000 2.832 234 T HA 0.540 4.889 4.350 -0.002 0.000 0.313 234 T C 0.192 174.927 174.700 0.058 0.000 1.035 234 T CA -0.919 61.198 62.100 0.030 0.000 0.950 234 T CB 1.337 70.218 68.868 0.020 0.000 0.984 234 T HN 0.328 nan 8.240 nan 0.000 0.486 235 K N 1.743 122.197 120.400 0.089 0.000 2.211 235 K HA 0.039 4.358 4.320 -0.002 0.000 0.201 235 K C 0.712 177.412 176.600 0.166 0.000 1.052 235 K CA 0.457 56.862 56.287 0.197 0.000 0.973 235 K CB 0.013 32.680 32.500 0.278 0.000 0.766 235 K HN 0.586 nan 8.250 nan 0.000 0.466 236 D N -0.298 120.142 120.400 0.066 0.000 4.365 236 D HA -0.273 4.366 4.640 -0.002 0.000 0.211 236 D C 1.126 177.372 176.300 -0.089 0.000 1.059 236 D CA 2.273 56.268 54.000 -0.009 0.000 2.239 236 D CB -1.232 39.557 40.800 -0.018 0.000 1.164 236 D HN 0.187 nan 8.370 nan 0.000 0.406 237 I N -0.273 120.150 120.570 -0.246 0.000 3.291 237 I HA -0.121 4.048 4.170 -0.002 0.000 0.279 237 I C 0.613 176.385 176.117 -0.575 0.000 1.294 237 I CA 0.777 61.795 61.300 -0.470 0.000 1.428 237 I CB -0.286 37.327 38.000 -0.646 0.000 1.070 237 I HN 0.155 nan 8.210 nan 0.000 0.478 238 Y N 0.158 120.456 120.300 -0.003 0.000 2.699 238 Y HA 0.344 4.892 4.550 -0.002 0.000 0.282 238 Y C 1.299 177.190 175.900 -0.015 0.000 1.058 238 Y CA -0.361 57.736 58.100 -0.006 0.000 1.194 238 Y CB -0.063 38.393 38.460 -0.006 0.000 1.193 238 Y HN 0.074 nan 8.280 nan 0.000 0.562 239 Q N -0.773 119.063 119.800 0.062 0.000 2.462 239 Q HA 0.064 4.403 4.340 -0.002 0.000 0.194 239 Q C 0.187 176.193 176.000 0.010 0.000 0.694 239 Q CA 0.092 55.915 55.803 0.032 0.000 0.873 239 Q CB 0.358 29.110 28.738 0.024 0.000 1.261 239 Q HN 0.165 nan 8.270 nan 0.000 0.531 240 D N 1.626 122.026 120.400 0.001 0.000 2.396 240 D HA 0.031 4.670 4.640 -0.002 0.000 0.255 240 D C 1.142 177.451 176.300 0.015 0.000 1.224 240 D CA 0.428 54.431 54.000 0.004 0.000 0.894 240 D CB 0.062 40.860 40.800 -0.004 0.000 0.939 240 D HN 0.207 nan 8.370 nan 0.000 0.506 241 L N -0.537 120.701 121.223 0.024 0.000 2.240 241 L HA -0.015 4.324 4.340 -0.002 0.000 0.211 241 L C 0.640 177.553 176.870 0.071 0.000 1.106 241 L CA 0.647 55.513 54.840 0.043 0.000 0.793 241 L CB -0.042 42.048 42.059 0.052 0.000 0.927 241 L HN -0.024 nan 8.230 nan 0.000 0.446 242 N N -0.660 118.085 118.700 0.076 0.000 2.518 242 N HA 0.360 5.099 4.740 -0.002 0.000 0.284 242 N C -0.109 175.462 175.510 0.102 0.000 1.230 242 N CA -0.632 52.493 53.050 0.125 0.000 0.941 242 N CB 0.756 39.345 38.487 0.169 0.000 1.219 242 N HN -0.083 nan 8.380 nan 0.000 0.560 247 G N 1.448 110.240 108.800 -0.012 0.000 3.399 247 G HA2 0.052 4.011 3.960 -0.002 0.000 0.685 247 G HA3 0.052 4.011 3.960 -0.002 0.000 0.685 247 G C 0.084 174.980 174.900 -0.007 0.000 0.952 247 G CA 0.171 45.264 45.100 -0.011 0.000 0.793 247 G HN 1.059 nan 8.290 nan 0.000 0.492 248 K N -0.333 120.064 120.400 -0.006 0.000 3.077 248 K HA -0.254 4.065 4.320 -0.002 0.000 0.264 248 K C 1.488 178.086 176.600 -0.003 0.000 1.008 248 K CA 1.672 57.956 56.287 -0.004 0.000 0.740 248 K CB -0.716 31.781 32.500 -0.005 0.000 1.273 248 K HN 1.042 nan 8.250 nan 0.000 0.477 249 K N -0.817 119.582 120.400 -0.001 0.000 2.520 249 K HA 0.112 4.431 4.320 -0.002 0.000 0.205 249 K C 0.664 177.267 176.600 0.004 0.000 1.035 249 K CA 0.272 56.560 56.287 0.001 0.000 1.188 249 K CB 0.648 33.150 32.500 0.002 0.000 0.894 249 K HN 0.208 nan 8.250 nan 0.000 0.497 250 G N 1.935 110.737 108.800 0.003 0.000 2.916 250 G HA2 -0.013 3.946 3.960 -0.002 0.000 0.280 250 G HA3 -0.013 3.946 3.960 -0.002 0.000 0.280 250 G C -0.764 174.138 174.900 0.003 0.000 0.758 250 G CA -0.489 44.614 45.100 0.004 0.000 1.993 250 G HN 0.449 nan 8.290 nan 0.000 0.564 251 E N 1.578 121.781 120.200 0.006 0.000 2.989 251 E HA 0.277 4.626 4.350 -0.002 0.000 0.224 251 E C 1.517 178.120 176.600 0.005 0.000 1.175 251 E CA -0.234 56.168 56.400 0.004 0.000 1.300 251 E CB 0.771 30.474 29.700 0.004 0.000 1.422 251 E HN 0.558 nan 8.360 nan 0.000 0.439 252 Q N 1.455 121.258 119.800 0.004 0.000 2.269 252 Q HA -0.062 4.276 4.340 -0.002 0.000 0.201 252 Q C 1.886 177.886 176.000 -0.001 0.000 0.946 252 Q CA 1.283 57.088 55.803 0.003 0.000 0.877 252 Q CB -0.647 28.092 28.738 0.001 0.000 0.963 252 Q HN 0.603 nan 8.270 nan 0.000 0.472 253 M N -0.704 118.894 119.600 -0.002 0.000 2.319 253 M HA 0.072 4.551 4.480 -0.002 0.000 0.265 253 M C 1.026 177.324 176.300 -0.003 0.000 1.068 253 M CA 1.717 57.015 55.300 -0.004 0.000 1.118 253 M CB -0.156 32.442 32.600 -0.005 0.000 1.395 253 M HN 0.197 nan 8.290 nan 0.000 0.435 254 N N 1.502 120.201 118.700 -0.002 0.000 2.354 254 N HA -0.028 4.711 4.740 -0.002 0.000 0.179 254 N C 0.929 176.438 175.510 -0.001 0.000 1.021 254 N CA 1.366 54.416 53.050 -0.002 0.000 0.887 254 N CB -0.249 38.238 38.487 -0.001 0.000 0.974 254 N HN 0.579 nan 8.380 nan 0.000 0.437 255 S N -0.643 115.058 115.700 0.000 0.000 3.593 255 S HA 0.546 5.015 4.470 -0.002 0.000 0.224 255 S C 0.772 175.371 174.600 -0.003 0.000 1.333 255 S CA 0.117 58.318 58.200 0.000 0.000 1.164 255 S CB -0.069 63.133 63.200 0.005 0.000 1.281 255 S HN 0.312 nan 8.310 nan 0.000 0.457 256 A N 0.372 123.190 122.820 -0.003 0.000 1.660 256 A HA 0.439 4.758 4.320 -0.002 0.000 0.204 256 A C 0.113 177.695 177.584 -0.004 0.000 1.880 256 A CA 0.044 52.078 52.037 -0.004 0.000 1.437 256 A CB 0.637 19.634 19.000 -0.004 0.000 1.444 256 A HN 0.564 nan 8.150 nan 0.000 0.360 257 V N 2.456 122.368 119.914 -0.004 0.000 2.266 257 V HA 0.594 4.713 4.120 -0.002 0.000 0.271 257 V C -0.685 175.406 176.094 -0.005 0.000 1.032 257 V CA 0.002 62.300 62.300 -0.004 0.000 0.806 257 V CB 0.400 32.221 31.823 -0.004 0.000 1.052 257 V HN 0.405 nan 8.190 nan 0.000 0.449 258 L N 5.261 126.481 121.223 -0.005 0.000 2.359 258 L HA 0.562 4.901 4.340 -0.002 0.000 0.256 258 L C -1.415 175.451 176.870 -0.007 0.000 1.026 258 L CA -1.706 53.130 54.840 -0.007 0.000 0.828 258 L CB 3.277 45.331 42.059 -0.007 0.000 1.406 258 L HN 0.203 nan 8.230 nan 0.000 0.413 259 P HA -0.090 nan 4.420 nan 0.000 0.225 259 P C 0.719 178.015 177.300 -0.007 0.000 1.148 259 P CA 1.250 64.345 63.100 -0.008 0.000 0.779 259 P CB 0.261 31.953 31.700 -0.013 0.000 0.780 260 E N -0.758 119.437 120.200 -0.010 0.000 2.472 260 E HA 0.160 4.509 4.350 -0.002 0.000 0.196 260 E C 1.780 178.377 176.600 -0.006 0.000 1.033 260 E CA 0.309 56.704 56.400 -0.008 0.000 0.886 260 E CB -0.628 29.062 29.700 -0.016 0.000 0.944 260 E HN 0.043 nan 8.360 nan 0.000 0.492 261 M N 0.711 120.308 119.600 -0.006 0.000 2.501 261 M HA 0.054 4.533 4.480 -0.002 0.000 0.261 261 M C 2.007 178.305 176.300 -0.003 0.000 1.129 261 M CA 1.224 56.520 55.300 -0.006 0.000 1.126 261 M CB 0.016 32.612 32.600 -0.006 0.000 1.359 261 M HN 0.691 nan 8.290 nan 0.000 0.471 262 E N -0.185 120.015 120.200 0.000 0.000 2.472 262 E HA -0.105 4.244 4.350 -0.002 0.000 0.200 262 E C -0.201 176.402 176.600 0.004 0.000 1.046 262 E CA 0.451 56.852 56.400 0.002 0.000 0.871 262 E CB -0.514 29.188 29.700 0.003 0.000 0.806 262 E HN 0.281 nan 8.360 nan 0.000 0.533 263 N N 1.588 120.292 118.700 0.006 0.000 2.895 263 N HA 0.020 4.759 4.740 -0.002 0.000 0.277 263 N C 1.168 176.677 175.510 -0.001 0.000 1.185 263 N CA 0.699 53.754 53.050 0.009 0.000 1.106 263 N CB 0.673 39.172 38.487 0.021 0.000 1.422 263 N HN 0.451 nan 8.380 nan 0.000 0.521 264 Q N 0.604 120.401 119.800 -0.005 0.000 2.077 264 Q HA -0.134 4.205 4.340 -0.002 0.000 0.206 264 Q C 1.954 177.944 176.000 -0.016 0.000 0.989 264 Q CA 2.071 57.868 55.803 -0.009 0.000 0.853 264 Q CB -0.846 27.886 28.738 -0.009 0.000 0.907 264 Q HN 0.412 nan 8.270 nan 0.000 0.418 265 V N 0.497 120.398 119.914 -0.022 0.000 2.515 265 V HA -0.079 4.040 4.120 -0.002 0.000 0.250 265 V C 2.762 178.838 176.094 -0.030 0.000 1.058 265 V CA 1.476 63.755 62.300 -0.034 0.000 1.064 265 V CB -1.063 30.728 31.823 -0.054 0.000 0.675 265 V HN 0.739 nan 8.190 nan 0.000 0.461 266 A N 0.024 122.834 122.820 -0.017 0.000 1.969 266 A HA -0.088 4.231 4.320 -0.002 0.000 0.218 266 A C 2.332 179.906 177.584 -0.017 0.000 1.169 266 A CA 1.740 53.775 52.037 -0.004 0.000 0.635 266 A CB -0.472 18.539 19.000 0.019 0.000 0.810 266 A HN 0.354 nan 8.150 nan 0.000 0.445 267 V N -0.175 119.728 119.914 -0.019 0.000 2.548 267 V HA -0.150 3.969 4.120 -0.002 0.000 0.249 267 V C 2.634 178.713 176.094 -0.025 0.000 1.055 267 V CA 2.015 64.300 62.300 -0.025 0.000 1.065 267 V CB -0.604 31.208 31.823 -0.019 0.000 0.681 267 V HN 0.529 nan 8.190 nan 0.000 0.462 268 S N 1.020 116.707 115.700 -0.023 0.000 2.399 268 S HA -0.174 4.295 4.470 -0.002 0.000 0.231 268 S C 2.202 176.785 174.600 -0.028 0.000 1.022 268 S CA 1.668 59.854 58.200 -0.023 0.000 0.983 268 S CB -0.267 62.919 63.200 -0.025 0.000 0.803 268 S HN 0.821 nan 8.310 nan 0.000 0.480 269 S N 1.383 117.066 115.700 -0.030 0.000 2.425 269 S HA 0.114 4.583 4.470 -0.002 0.000 0.225 269 S C 1.750 176.331 174.600 -0.033 0.000 1.024 269 S CA 0.278 58.460 58.200 -0.031 0.000 0.951 269 S CB -0.495 62.692 63.200 -0.023 0.000 0.796 269 S HN 0.315 nan 8.310 nan 0.000 0.498 270 L N 2.420 123.620 121.223 -0.038 0.000 2.141 270 L HA 0.072 4.411 4.340 -0.002 0.000 0.209 270 L C 2.580 179.420 176.870 -0.050 0.000 1.094 270 L CA 1.756 56.562 54.840 -0.056 0.000 0.763 270 L CB -1.173 40.839 42.059 -0.079 0.000 0.908 270 L HN 0.447 nan 8.230 nan 0.000 0.437 271 S N -0.636 115.041 115.700 -0.037 0.000 2.374 271 S HA -0.238 4.231 4.470 -0.002 0.000 0.227 271 S C 2.177 176.764 174.600 -0.021 0.000 1.037 271 S CA 1.441 59.625 58.200 -0.028 0.000 1.024 271 S CB -0.459 62.729 63.200 -0.021 0.000 0.861 271 S HN 0.656 nan 8.310 nan 0.000 0.456 272 A N 0.653 123.460 122.820 -0.021 0.000 1.902 272 A HA 0.012 4.330 4.320 -0.002 0.000 0.217 272 A C 2.366 179.962 177.584 0.019 0.000 1.181 272 A CA 1.813 53.844 52.037 -0.010 0.000 0.623 272 A CB -0.997 17.981 19.000 -0.037 0.000 0.818 272 A HN 0.487 nan 8.150 nan 0.000 0.443 273 V N 1.245 121.155 119.914 -0.006 0.000 2.358 273 V HA -0.250 3.869 4.120 -0.002 0.000 0.246 273 V C 2.484 178.611 176.094 0.054 0.000 1.047 273 V CA 1.858 64.170 62.300 0.021 0.000 1.035 273 V CB -1.000 30.813 31.823 -0.016 0.000 0.658 273 V HN 0.760 nan 8.190 nan 0.000 0.452 274 I N -1.959 118.603 120.570 -0.014 0.000 2.756 274 I HA -0.136 4.033 4.170 -0.002 0.000 0.262 274 I C 2.212 178.321 176.117 -0.013 0.000 1.225 274 I CA 1.591 62.861 61.300 -0.050 0.000 1.472 274 I CB -0.541 37.399 38.000 -0.100 0.000 1.094 274 I HN 0.197 nan 8.210 nan 0.000 0.454 275 K N 0.599 121.013 120.400 0.023 0.000 2.166 275 K HA 0.013 4.332 4.320 -0.002 0.000 0.201 275 K C 1.969 178.604 176.600 0.058 0.000 1.052 275 K CA 0.968 57.266 56.287 0.019 0.000 0.969 275 K CB -0.184 32.321 32.500 0.008 0.000 0.761 275 K HN 0.228 nan 8.250 nan 0.000 0.459 276 F N 1.910 121.837 119.950 -0.039 0.000 2.102 276 F HA -0.123 4.403 4.527 -0.002 0.000 0.298 276 F C 1.620 177.412 175.800 -0.015 0.000 1.105 276 F CA 1.369 59.355 58.000 -0.024 0.000 1.239 276 F CB 0.001 38.987 39.000 -0.024 0.000 0.991 276 F HN -0.128 nan 8.300 nan 0.000 0.474 277 L N -0.046 121.236 121.223 0.099 0.000 2.478 277 L HA -0.030 4.309 4.340 -0.002 0.000 0.223 277 L C 0.427 177.275 176.870 -0.036 0.000 1.140 277 L CA 0.614 55.461 54.840 0.011 0.000 0.842 277 L CB -0.780 41.309 42.059 0.050 0.000 0.953 277 L HN 0.146 nan 8.230 nan 0.000 0.452 278 E N -0.238 119.940 120.200 -0.036 0.000 2.297 278 E HA -0.267 4.082 4.350 -0.002 0.000 0.228 278 E C 1.030 177.634 176.600 0.007 0.000 1.213 278 E CA 0.038 56.427 56.400 -0.019 0.000 0.712 278 E CB -1.189 28.496 29.700 -0.025 0.000 1.202 278 E HN 0.262 nan 8.360 nan 0.000 0.376 279 L N -0.183 121.015 121.223 -0.041 0.000 2.201 279 L HA -0.092 4.247 4.340 -0.002 0.000 0.212 279 L C 1.776 178.651 176.870 0.008 0.000 1.105 279 L CA 1.692 56.468 54.840 -0.107 0.000 0.775 279 L CB 0.046 41.922 42.059 -0.306 0.000 0.913 279 L HN 0.417 nan 8.230 nan 0.000 0.440 280 L N -1.831 119.410 121.223 0.029 0.000 2.558 280 L HA 0.027 4.366 4.340 -0.002 0.000 0.225 280 L C 2.025 178.962 176.870 0.111 0.000 1.128 280 L CA 0.214 55.105 54.840 0.086 0.000 0.868 280 L CB -0.360 41.744 42.059 0.074 0.000 1.006 280 L HN 0.100 nan 8.230 nan 0.000 0.454 281 S N -1.061 114.698 115.700 0.098 0.000 2.515 281 S HA -0.027 4.442 4.470 -0.002 0.000 0.231 281 S C 0.244 174.908 174.600 0.106 0.000 0.987 281 S CA 0.444 58.696 58.200 0.086 0.000 0.936 281 S CB -0.216 63.018 63.200 0.058 0.000 0.766 281 S HN 0.324 nan 8.310 nan 0.000 0.528 282 D N 2.773 123.272 120.400 0.166 0.000 2.280 282 D HA 0.268 4.907 4.640 -0.002 0.000 0.243 282 D C -0.771 175.602 176.300 0.121 0.000 1.129 282 D CA -0.335 53.755 54.000 0.150 0.000 0.848 282 D CB 0.688 41.618 40.800 0.216 0.000 1.107 282 D HN 0.028 nan 8.370 nan 0.000 0.471 283 D N 0.748 121.185 120.400 0.062 0.000 2.383 283 D HA 0.040 4.679 4.640 -0.002 0.000 0.252 283 D C 0.476 176.788 176.300 0.021 0.000 1.166 283 D CA 0.050 54.077 54.000 0.045 0.000 0.879 283 D CB 0.654 41.471 40.800 0.028 0.000 1.164 283 D HN 0.164 nan 8.370 nan 0.000 0.462 284 S N 1.638 117.360 115.700 0.037 0.000 3.420 284 S HA -0.251 4.218 4.470 -0.002 0.000 0.367 284 S C 1.211 175.798 174.600 -0.021 0.000 1.063 284 S CA 1.003 59.215 58.200 0.021 0.000 1.073 284 S CB -1.031 62.175 63.200 0.011 0.000 0.905 284 S HN 0.695 nan 8.310 nan 0.000 0.485 285 N N -0.258 118.401 118.700 -0.068 0.000 2.463 285 N HA 0.152 4.891 4.740 -0.002 0.000 0.183 285 N C 0.811 176.149 175.510 -0.288 0.000 1.064 285 N CA 0.345 53.254 53.050 -0.234 0.000 0.879 285 N CB -0.229 38.013 38.487 -0.408 0.000 1.148 285 N HN 0.426 nan 8.380 nan 0.000 0.451 286 F N 0.822 120.824 119.950 0.087 0.000 2.435 286 F HA 0.487 5.013 4.527 -0.001 0.000 0.233 286 F C 2.005 177.867 175.800 0.104 0.000 1.206 286 F CA 0.864 58.939 58.000 0.125 0.000 0.972 286 F CB -0.934 38.241 39.000 0.291 0.000 1.024 286 F HN 0.173 nan 8.300 nan 0.000 0.623 287 G N 0.498 109.541 108.800 0.404 0.000 2.198 287 G HA2 -0.230 3.729 3.960 -0.002 0.000 0.260 287 G HA3 -0.230 3.729 3.960 -0.002 0.000 0.260 287 G C 0.028 175.051 174.900 0.204 0.000 1.025 287 G CA 0.696 45.940 45.100 0.239 0.000 0.769 287 G HN 0.468 nan 8.290 nan 0.000 0.507 288 Q N -2.146 117.816 119.800 0.270 0.000 3.098 288 Q HA 0.798 5.137 4.340 -0.002 0.000 0.207 288 Q C 0.395 176.558 176.000 0.271 0.000 1.156 288 Q CA -0.761 55.121 55.803 0.132 0.000 0.413 288 Q CB 0.814 29.516 28.738 -0.059 0.000 5.398 288 Q HN 0.649 nan 8.270 nan 0.000 0.298 289 F N 0.353 120.344 119.950 0.070 0.000 2.183 289 F HA -0.211 4.315 4.527 -0.002 0.000 0.318 289 F C -0.700 175.120 175.800 0.033 0.000 1.277 289 F CA 0.331 58.357 58.000 0.044 0.000 0.914 289 F CB -0.290 38.716 39.000 0.009 0.000 4.133 289 F HN 0.346 nan 8.300 nan 0.000 0.140 290 E N 2.489 122.829 120.200 0.235 0.000 2.155 290 E HA 0.431 4.780 4.350 -0.002 0.000 0.264 290 E C 0.219 176.880 176.600 0.102 0.000 0.886 290 E CA -0.673 55.808 56.400 0.134 0.000 0.752 290 E CB 1.396 31.161 29.700 0.109 0.000 1.133 290 E HN 0.507 nan 8.360 nan 0.000 0.414 291 L N 1.510 122.768 121.223 0.058 0.000 2.093 291 L HA -0.076 4.263 4.340 -0.002 0.000 0.208 291 L C 1.486 178.352 176.870 -0.006 0.000 1.085 291 L CA 0.859 55.707 54.840 0.013 0.000 0.755 291 L CB -0.781 41.280 42.059 0.003 0.000 0.904 291 L HN 0.554 nan 8.230 nan 0.000 0.435 292 T N -1.292 113.260 114.554 -0.004 0.000 2.940 292 T HA 0.238 4.587 4.350 -0.002 0.000 0.309 292 T C 0.301 174.980 174.700 -0.035 0.000 1.056 292 T CA -0.173 61.904 62.100 -0.038 0.000 1.137 292 T CB 0.969 69.797 68.868 -0.067 0.000 0.976 292 T HN 0.355 nan 8.240 nan 0.000 0.547 293 T N -0.387 114.131 114.554 -0.060 0.000 2.718 293 T HA 0.753 5.102 4.350 -0.002 0.000 0.267 293 T C -0.836 173.800 174.700 -0.106 0.000 0.957 293 T CA -1.018 61.102 62.100 0.033 0.000 1.025 293 T CB 0.930 69.858 68.868 0.099 0.000 1.355 293 T HN 0.526 nan 8.240 nan 0.000 0.572 294 F N 0.093 120.154 119.950 0.185 0.000 2.575 294 F HA 0.607 5.134 4.527 0.001 0.000 0.330 294 F C 0.069 175.978 175.800 0.182 0.000 1.056 294 F CA -0.801 57.305 58.000 0.178 0.000 0.964 294 F CB 1.808 40.953 39.000 0.241 0.000 1.258 294 F HN 0.659 nan 8.300 nan 0.000 0.484 295 D N 0.412 121.005 120.400 0.321 0.000 2.193 295 D HA 0.170 4.809 4.640 -0.002 0.000 0.249 295 D C 0.555 176.972 176.300 0.195 0.000 1.034 295 D CA -0.468 53.647 54.000 0.191 0.000 0.902 295 D CB 0.931 41.736 40.800 0.009 0.000 1.182 295 D HN 0.353 nan 8.370 nan 0.000 0.436 296 F N 1.020 121.026 119.950 0.094 0.000 2.407 296 F HA 0.043 4.568 4.527 -0.003 0.000 0.299 296 F C 1.580 177.405 175.800 0.041 0.000 1.097 296 F CA 0.623 58.655 58.000 0.054 0.000 1.422 296 F CB -0.556 38.386 39.000 -0.097 0.000 1.067 296 F HN 0.222 nan 8.300 nan 0.000 0.539 297 S N -0.607 114.648 115.700 -0.742 0.000 2.634 297 S HA 0.107 4.576 4.470 -0.002 0.000 0.221 297 S C 1.239 175.662 174.600 -0.295 0.000 0.952 297 S CA -0.278 57.594 58.200 -0.546 0.000 0.930 297 S CB -0.488 62.278 63.200 -0.722 0.000 0.780 297 S HN 0.636 nan 8.310 nan 0.000 0.498 298 Q N -0.338 119.298 119.800 -0.274 0.000 2.424 298 Q HA 0.233 4.572 4.340 -0.002 0.000 0.204 298 Q C -0.599 175.069 176.000 -0.554 0.000 0.933 298 Q CA 0.541 56.102 55.803 -0.404 0.000 0.929 298 Q CB 0.229 28.686 28.738 -0.467 0.000 1.037 298 Q HN 0.694 nan 8.270 nan 0.000 0.511 299 Y N -0.896 119.382 120.300 -0.037 0.000 2.693 299 Y HA 0.361 4.910 4.550 -0.002 0.000 0.331 299 Y C -0.091 175.792 175.900 -0.028 0.000 1.092 299 Y CA -1.449 56.634 58.100 -0.029 0.000 1.131 299 Y CB 0.793 39.248 38.460 -0.009 0.000 1.318 299 Y HN -0.111 nan 8.280 nan 0.000 0.510 300 M N 1.947 121.647 119.600 0.166 0.000 2.200 300 M HA 0.243 4.722 4.480 -0.002 0.000 0.355 300 M C -1.085 175.265 176.300 0.084 0.000 1.283 300 M CA -0.100 55.245 55.300 0.074 0.000 1.124 300 M CB 0.318 32.938 32.600 0.033 0.000 1.625 300 M HN 0.580 nan 8.290 nan 0.000 0.463 301 K N 5.117 125.558 120.400 0.068 0.000 2.144 301 K HA 0.616 4.935 4.320 -0.002 0.000 0.270 301 K C -1.087 175.540 176.600 0.045 0.000 1.005 301 K CA -0.370 55.963 56.287 0.077 0.000 0.932 301 K CB 1.119 33.676 32.500 0.094 0.000 1.021 301 K HN 0.657 nan 8.250 nan 0.000 0.462 302 L N 0.851 122.097 121.223 0.039 0.000 2.376 302 L HA 0.380 4.719 4.340 -0.002 0.000 0.258 302 L C -0.789 176.096 176.870 0.024 0.000 1.013 302 L CA -1.125 53.731 54.840 0.027 0.000 0.822 302 L CB 2.139 44.215 42.059 0.029 0.000 1.388 302 L HN 0.608 nan 8.230 nan 0.000 0.413 303 D N -0.121 120.292 120.400 0.023 0.000 2.217 303 D HA 0.413 5.052 4.640 -0.002 0.000 0.248 303 D C 0.849 177.164 176.300 0.026 0.000 1.008 303 D CA -0.345 53.669 54.000 0.024 0.000 0.914 303 D CB 1.721 42.535 40.800 0.023 0.000 1.182 303 D HN 0.389 nan 8.370 nan 0.000 0.451 304 I N 1.454 122.039 120.570 0.025 0.000 2.142 304 I HA -0.197 3.972 4.170 -0.002 0.000 0.240 304 I C 1.966 178.101 176.117 0.030 0.000 1.078 304 I CA 1.197 62.511 61.300 0.025 0.000 1.343 304 I CB -0.269 37.743 38.000 0.019 0.000 1.046 304 I HN 0.417 nan 8.210 nan 0.000 0.405 305 A N 0.305 123.143 122.820 0.030 0.000 2.252 305 A HA 0.339 4.658 4.320 -0.002 0.000 0.207 305 A C 2.130 179.736 177.584 0.036 0.000 1.194 305 A CA 0.989 53.047 52.037 0.035 0.000 0.809 305 A CB -0.508 18.513 19.000 0.035 0.000 0.814 305 A HN 0.439 nan 8.150 nan 0.000 0.482 306 A N -0.987 121.852 122.820 0.031 0.000 2.063 306 A HA 0.257 4.576 4.320 -0.002 0.000 0.211 306 A C 1.906 179.505 177.584 0.026 0.000 1.177 306 A CA 1.014 53.066 52.037 0.025 0.000 0.759 306 A CB -0.261 18.749 19.000 0.017 0.000 0.857 306 A HN 0.269 nan 8.150 nan 0.000 0.468 307 V N 0.527 120.465 119.914 0.038 0.000 2.358 307 V HA -0.228 3.891 4.120 -0.002 0.000 0.246 307 V C 2.547 178.672 176.094 0.051 0.000 1.047 307 V CA 2.114 64.447 62.300 0.055 0.000 1.035 307 V CB -0.803 31.074 31.823 0.090 0.000 0.658 307 V HN 0.507 nan 8.190 nan 0.000 0.452 308 R N 0.234 120.764 120.500 0.051 0.000 2.115 308 R HA 0.000 4.339 4.340 -0.002 0.000 0.226 308 R C 2.403 178.732 176.300 0.047 0.000 1.100 308 R CA 1.223 57.353 56.100 0.049 0.000 0.980 308 R CB -0.491 29.837 30.300 0.047 0.000 0.875 308 R HN 0.524 nan 8.270 nan 0.000 0.445 309 A N 1.183 124.030 122.820 0.044 0.000 1.930 309 A HA -0.063 4.256 4.320 -0.002 0.000 0.217 309 A C 1.963 179.577 177.584 0.049 0.000 1.175 309 A CA 1.051 53.117 52.037 0.049 0.000 0.627 309 A CB -0.242 18.784 19.000 0.044 0.000 0.815 309 A HN 0.176 nan 8.150 nan 0.000 0.443 310 L N -1.103 120.133 121.223 0.022 0.000 2.607 310 L HA 0.092 4.431 4.340 -0.002 0.000 0.228 310 L C 0.533 177.400 176.870 -0.005 0.000 1.123 310 L CA 0.029 54.865 54.840 -0.005 0.000 0.890 310 L CB -0.408 41.619 42.059 -0.054 0.000 1.103 310 L HN 0.457 nan 8.230 nan 0.000 0.468 311 N N 1.353 120.063 118.700 0.016 0.000 2.667 311 N HA -0.210 4.528 4.740 -0.002 0.000 0.263 311 N C 0.619 176.094 175.510 -0.059 0.000 1.038 311 N CA 0.357 53.414 53.050 0.012 0.000 0.749 311 N CB -0.844 37.668 38.487 0.040 0.000 0.892 311 N HN 0.340 nan 8.380 nan 0.000 0.546 312 L N -0.992 120.167 121.223 -0.106 0.000 2.072 312 L HA -0.056 4.283 4.340 -0.002 0.000 0.205 312 L C 1.429 177.920 176.870 -0.632 0.000 1.079 312 L CA 1.339 55.963 54.840 -0.359 0.000 0.752 312 L CB -0.255 41.605 42.059 -0.333 0.000 0.906 312 L HN 0.257 nan 8.230 nan 0.000 0.436 313 F N -2.958 116.991 119.950 -0.002 0.000 2.334 313 F HA 0.206 4.732 4.527 -0.002 0.000 0.269 313 F C 1.220 177.017 175.800 -0.005 0.000 0.879 313 F CA -0.365 57.630 58.000 -0.007 0.000 1.102 313 F CB 0.271 39.260 39.000 -0.018 0.000 1.032 313 F HN -0.195 nan 8.300 nan 0.000 0.782 314 Q N -0.271 119.643 119.800 0.191 0.000 3.146 314 Q HA 0.756 5.095 4.340 -0.002 0.000 0.318 314 Q C -0.279 175.763 176.000 0.071 0.000 0.992 314 Q CA -0.589 55.276 55.803 0.103 0.000 0.809 314 Q CB 1.378 30.167 28.738 0.084 0.000 1.490 314 Q HN 0.258 nan 8.270 nan 0.000 0.493 320 T N 1.197 115.757 114.554 0.010 0.000 2.853 320 T HA 0.424 4.773 4.350 -0.002 0.000 0.298 320 T C 0.776 175.481 174.700 0.009 0.000 0.978 320 T CA 0.730 62.836 62.100 0.009 0.000 1.152 320 T CB -0.025 68.848 68.868 0.008 0.000 0.914 320 T HN 1.127 nan 8.240 nan 0.000 0.539 321 T N 1.336 115.896 114.554 0.010 0.000 2.800 321 T HA 0.327 4.676 4.350 -0.002 0.000 0.266 321 T C 1.238 175.942 174.700 0.007 0.000 0.939 321 T CA -0.391 61.714 62.100 0.009 0.000 1.199 321 T CB -0.050 68.826 68.868 0.013 0.000 0.899 321 T HN 0.883 nan 8.240 nan 0.000 0.555 322 G N 2.236 111.038 108.800 0.004 0.000 3.192 322 G HA2 0.254 4.213 3.960 -0.002 0.000 0.239 322 G HA3 0.254 4.213 3.960 -0.002 0.000 0.239 322 G C 0.486 175.386 174.900 0.001 0.000 1.084 322 G CA -0.365 44.737 45.100 0.003 0.000 0.784 322 G HN 0.867 nan 8.290 nan 0.000 0.540 323 S N 0.319 116.018 115.700 -0.002 0.000 2.465 323 S HA 0.315 4.784 4.470 -0.002 0.000 0.280 323 S C 0.184 174.788 174.600 0.006 0.000 1.232 323 S CA -0.509 57.688 58.200 -0.006 0.000 1.066 323 S CB 1.543 64.730 63.200 -0.022 0.000 0.929 323 S HN 0.390 nan 8.310 nan 0.000 0.494 324 Q N 2.529 122.334 119.800 0.008 0.000 2.395 324 Q HA 0.116 4.455 4.340 -0.002 0.000 0.271 324 Q C 0.295 176.303 176.000 0.013 0.000 1.026 324 Q CA -0.047 55.762 55.803 0.011 0.000 0.900 324 Q CB 0.565 29.309 28.738 0.010 0.000 1.266 324 Q HN 0.846 nan 8.270 nan 0.000 0.430 325 S N 2.167 117.870 115.700 0.004 0.000 2.585 325 S HA 0.018 4.487 4.470 -0.002 0.000 0.273 325 S C 0.890 175.464 174.600 -0.044 0.000 1.339 325 S CA -0.639 57.552 58.200 -0.015 0.000 1.028 325 S CB 0.667 63.863 63.200 -0.008 0.000 0.906 325 S HN 0.662 nan 8.310 nan 0.000 0.528 326 L N 4.704 125.869 121.223 -0.098 0.000 2.093 326 L HA 0.182 4.521 4.340 -0.002 0.000 0.208 326 L C 2.384 179.173 176.870 -0.134 0.000 1.085 326 L CA 2.368 57.136 54.840 -0.120 0.000 0.755 326 L CB -1.303 40.652 42.059 -0.172 0.000 0.904 326 L HN 0.860 nan 8.230 nan 0.000 0.435 327 A N -0.779 121.904 122.820 -0.227 0.000 1.968 327 A HA 0.055 4.374 4.320 -0.002 0.000 0.217 327 A C 2.361 179.915 177.584 -0.050 0.000 1.169 327 A CA 1.260 53.192 52.037 -0.175 0.000 0.638 327 A CB -0.867 17.983 19.000 -0.250 0.000 0.812 327 A HN 0.495 nan 8.150 nan 0.000 0.446 328 A N -0.820 121.981 122.820 -0.033 0.000 2.066 328 A HA 0.164 4.483 4.320 -0.002 0.000 0.218 328 A C 2.015 179.595 177.584 -0.006 0.000 1.157 328 A CA 1.416 53.448 52.037 -0.009 0.000 0.670 328 A CB -0.365 18.635 19.000 0.001 0.000 0.804 328 A HN 0.594 nan 8.150 nan 0.000 0.453 329 L N -0.653 120.569 121.223 -0.002 0.000 2.084 329 L HA 0.133 4.472 4.340 -0.002 0.000 0.202 329 L C 1.998 178.896 176.870 0.045 0.000 1.074 329 L CA 1.567 56.421 54.840 0.023 0.000 0.757 329 L CB -0.398 41.680 42.059 0.032 0.000 0.918 329 L HN 0.322 nan 8.230 nan 0.000 0.444 330 L N -0.293 120.964 121.223 0.057 0.000 2.395 330 L HA 0.022 4.361 4.340 -0.002 0.000 0.218 330 L C 0.429 177.272 176.870 -0.044 0.000 1.130 330 L CA 0.194 55.098 54.840 0.107 0.000 0.826 330 L CB -0.555 41.660 42.059 0.259 0.000 0.941 330 L HN 0.307 nan 8.230 nan 0.000 0.451 331 N N 0.881 119.544 118.700 -0.062 0.000 2.645 331 N HA 0.107 4.846 4.740 -0.002 0.000 0.233 331 N C -0.121 175.326 175.510 -0.105 0.000 1.058 331 N CA 0.016 52.990 53.050 -0.127 0.000 0.942 331 N CB 0.506 38.936 38.487 -0.094 0.000 1.210 331 N HN -0.164 nan 8.380 nan 0.000 0.512 332 K N 1.627 121.950 120.400 -0.129 0.000 2.861 332 K HA 0.319 4.638 4.320 -0.002 0.000 0.210 332 K C -0.775 175.724 176.600 -0.168 0.000 1.112 332 K CA -0.317 55.906 56.287 -0.107 0.000 1.076 332 K CB -0.265 32.217 32.500 -0.030 0.000 0.853 332 K HN 0.450 nan 8.250 nan 0.000 0.463 333 C N 1.611 120.803 119.300 -0.179 0.000 2.637 333 C HA 0.148 4.607 4.460 -0.002 0.000 0.418 333 C C 1.571 176.476 174.990 -0.141 0.000 1.319 333 C CA -0.522 58.386 59.018 -0.185 0.000 1.949 333 C CB 0.556 28.178 27.740 -0.196 0.000 2.639 333 C HN 0.477 nan 8.230 nan 0.000 0.594 334 K N 1.157 121.477 120.400 -0.133 0.000 2.137 334 K HA -0.006 4.313 4.320 -0.002 0.000 0.202 334 K C 1.149 177.714 176.600 -0.059 0.000 1.052 334 K CA 0.749 56.981 56.287 -0.091 0.000 0.961 334 K CB -0.530 31.922 32.500 -0.080 0.000 0.741 334 K HN 0.878 nan 8.250 nan 0.000 0.452 335 T N -0.306 114.211 114.554 -0.062 0.000 2.882 335 T HA 0.259 4.608 4.350 -0.002 0.000 0.287 335 T C -2.235 172.432 174.700 -0.055 0.000 0.992 335 T CA -1.921 60.159 62.100 -0.034 0.000 1.076 335 T CB 1.907 70.762 68.868 -0.021 0.000 0.961 335 T HN -0.220 nan 8.240 nan 0.000 0.490 336 P HA -0.038 nan 4.420 nan 0.000 0.222 336 P C 1.399 178.666 177.300 -0.056 0.000 1.147 336 P CA 0.838 63.911 63.100 -0.045 0.000 0.790 336 P CB 0.064 31.752 31.700 -0.020 0.000 0.780 337 Q N -0.752 119.020 119.800 -0.047 0.000 2.079 337 Q HA -0.054 4.285 4.340 -0.002 0.000 0.200 337 Q C 2.426 178.358 176.000 -0.113 0.000 0.974 337 Q CA 1.645 57.413 55.803 -0.058 0.000 0.840 337 Q CB -1.072 27.647 28.738 -0.032 0.000 0.898 337 Q HN 0.259 nan 8.270 nan 0.000 0.430 338 G N 0.783 109.505 108.800 -0.131 0.000 2.408 338 G HA2 -0.248 3.711 3.960 -0.002 0.000 0.217 338 G HA3 -0.248 3.711 3.960 -0.002 0.000 0.217 338 G C 1.235 175.992 174.900 -0.238 0.000 1.150 338 G CA 0.333 45.314 45.100 -0.198 0.000 0.776 338 G HN 0.271 nan 8.290 nan 0.000 0.542 339 Q N -0.151 119.543 119.800 -0.175 0.000 2.291 339 Q HA -0.007 4.332 4.340 -0.002 0.000 0.205 339 Q C 2.710 178.616 176.000 -0.157 0.000 0.970 339 Q CA 0.663 56.372 55.803 -0.157 0.000 0.876 339 Q CB -0.054 28.619 28.738 -0.108 0.000 0.935 339 Q HN 0.434 nan 8.270 nan 0.000 0.455 340 R N 0.257 120.659 120.500 -0.164 0.000 2.062 340 R HA -0.031 4.308 4.340 -0.002 0.000 0.229 340 R C 2.268 178.415 176.300 -0.254 0.000 1.128 340 R CA 0.951 56.955 56.100 -0.161 0.000 0.960 340 R CB -0.219 30.009 30.300 -0.122 0.000 0.855 340 R HN 0.193 nan 8.270 nan 0.000 0.432 341 L N 0.397 121.388 121.223 -0.386 0.000 2.083 341 L HA -0.157 4.182 4.340 -0.002 0.000 0.209 341 L C 2.365 178.669 176.870 -0.944 0.000 1.083 341 L CA 0.935 55.334 54.840 -0.736 0.000 0.752 341 L CB -0.419 41.097 42.059 -0.905 0.000 0.899 341 L HN 0.065 nan 8.230 nan 0.000 0.433 342 V N 0.266 119.813 119.914 -0.611 0.000 2.287 342 V HA -0.291 3.828 4.120 -0.002 0.000 0.248 342 V C 2.165 178.215 176.094 -0.074 0.000 1.053 342 V CA 2.024 64.140 62.300 -0.307 0.000 1.027 342 V CB -0.702 30.962 31.823 -0.267 0.000 0.646 342 V HN 0.494 nan 8.190 nan 0.000 0.447 343 N N -0.122 118.539 118.700 -0.065 0.000 2.166 343 N HA -0.189 4.550 4.740 -0.002 0.000 0.186 343 N C 1.850 177.407 175.510 0.078 0.000 1.019 343 N CA 1.395 54.513 53.050 0.112 0.000 0.856 343 N CB -0.392 38.146 38.487 0.085 0.000 0.993 343 N HN 0.617 nan 8.380 nan 0.000 0.426 344 Q N -0.713 119.031 119.800 -0.094 0.000 2.124 344 Q HA -0.114 4.225 4.340 -0.002 0.000 0.202 344 Q C 1.041 177.074 176.000 0.056 0.000 0.977 344 Q CA 1.139 56.885 55.803 -0.094 0.000 0.850 344 Q CB -0.044 28.582 28.738 -0.186 0.000 0.901 344 Q HN 0.417 nan 8.270 nan 0.000 0.429 345 W N 0.138 121.441 121.300 0.005 0.000 2.519 345 W HA 0.036 4.695 4.660 -0.002 0.000 0.266 345 W C 1.720 178.243 176.519 0.007 0.000 1.253 345 W CA 0.200 57.548 57.345 0.004 0.000 1.274 345 W CB -0.379 29.132 29.460 0.085 0.000 1.114 345 W HN 0.233 nan 8.180 nan 0.000 0.596 346 I N 0.243 120.960 120.570 0.244 0.000 2.406 346 I HA -0.191 3.978 4.170 -0.002 0.000 0.249 346 I C 2.101 178.304 176.117 0.145 0.000 1.122 346 I CA 1.139 62.523 61.300 0.139 0.000 1.431 346 I CB -0.344 37.675 38.000 0.032 0.000 1.087 346 I HN -0.181 nan 8.210 nan 0.000 0.424 347 K N 0.586 121.097 120.400 0.185 0.000 2.155 347 K HA -0.033 4.286 4.320 -0.002 0.000 0.203 347 K C 0.391 176.980 176.600 -0.020 0.000 1.052 347 K CA 0.842 57.192 56.287 0.106 0.000 0.948 347 K CB 0.105 32.622 32.500 0.028 0.000 0.728 347 K HN 0.337 nan 8.250 nan 0.000 0.448 348 Q N 0.741 120.493 119.800 -0.081 0.000 2.907 348 Q HA 0.237 4.576 4.340 -0.002 0.000 0.262 348 Q C -2.662 173.305 176.000 -0.055 0.000 0.997 348 Q CA -2.030 53.607 55.803 -0.277 0.000 0.797 348 Q CB 1.515 29.721 28.738 -0.887 0.000 1.228 348 Q HN -0.035 nan 8.270 nan 0.000 0.466 349 P HA 0.032 nan 4.420 nan 0.000 0.276 349 P C -0.166 177.217 177.300 0.138 0.000 1.230 349 P CA -0.136 63.001 63.100 0.061 0.000 0.776 349 P CB 0.812 32.519 31.700 0.012 0.000 0.888 350 L N 2.668 123.930 121.223 0.066 0.000 2.479 350 L HA 0.086 4.425 4.340 -0.002 0.000 0.270 350 L C 1.681 178.537 176.870 -0.023 0.000 1.236 350 L CA 0.244 55.109 54.840 0.041 0.000 0.823 350 L CB 0.053 42.072 42.059 -0.066 0.000 1.098 350 L HN 0.420 nan 8.230 nan 0.000 0.500 351 M N -0.542 119.015 119.600 -0.071 0.000 2.447 351 M HA 0.125 4.604 4.480 -0.002 0.000 0.255 351 M C -0.136 176.108 176.300 -0.093 0.000 1.289 351 M CA 0.087 55.334 55.300 -0.089 0.000 1.128 351 M CB -0.234 32.298 32.600 -0.112 0.000 1.540 351 M HN 0.488 nan 8.290 nan 0.000 0.557 352 D N 2.766 123.107 120.400 -0.099 0.000 2.338 352 D HA 0.067 4.706 4.640 -0.002 0.000 0.255 352 D C 1.165 177.417 176.300 -0.081 0.000 1.237 352 D CA 0.259 54.207 54.000 -0.086 0.000 0.883 352 D CB 0.948 41.699 40.800 -0.082 0.000 1.087 352 D HN 0.279 nan 8.370 nan 0.000 0.485 353 K N 2.741 123.097 120.400 -0.074 0.000 2.211 353 K HA -0.204 4.115 4.320 -0.002 0.000 0.204 353 K C 0.798 177.357 176.600 -0.068 0.000 1.047 353 K CA 0.920 57.163 56.287 -0.073 0.000 0.935 353 K CB -0.033 32.428 32.500 -0.065 0.000 0.728 353 K HN 0.189 nan 8.250 nan 0.000 0.452 354 N N 0.788 119.453 118.700 -0.059 0.000 2.250 354 N HA -0.043 4.696 4.740 -0.002 0.000 0.181 354 N C 1.694 177.172 175.510 -0.054 0.000 1.017 354 N CA 0.750 53.770 53.050 -0.050 0.000 0.866 354 N CB -0.101 38.361 38.487 -0.040 0.000 0.985 354 N HN 0.177 nan 8.380 nan 0.000 0.429 355 R N 0.739 121.200 120.500 -0.065 0.000 2.090 355 R HA 0.132 4.471 4.340 -0.002 0.000 0.228 355 R C 2.091 178.328 176.300 -0.105 0.000 1.110 355 R CA 0.481 56.535 56.100 -0.077 0.000 0.973 355 R CB -0.450 29.802 30.300 -0.081 0.000 0.869 355 R HN 0.348 nan 8.270 nan 0.000 0.440 356 I N 0.298 120.801 120.570 -0.112 0.000 2.233 356 I HA -0.179 3.990 4.170 -0.002 0.000 0.243 356 I C 1.815 177.861 176.117 -0.118 0.000 1.093 356 I CA 1.211 62.429 61.300 -0.137 0.000 1.380 356 I CB -0.400 37.518 38.000 -0.136 0.000 1.067 356 I HN 0.095 nan 8.210 nan 0.000 0.413 357 E N 0.717 120.862 120.200 -0.093 0.000 2.268 357 E HA -0.240 4.109 4.350 -0.002 0.000 0.195 357 E C 2.007 178.581 176.600 -0.044 0.000 0.995 357 E CA 0.822 57.176 56.400 -0.076 0.000 0.836 357 E CB -0.034 29.627 29.700 -0.066 0.000 0.763 357 E HN 0.501 nan 8.360 nan 0.000 0.491 358 E N 1.226 121.403 120.200 -0.037 0.000 2.046 358 E HA -0.151 4.198 4.350 -0.002 0.000 0.190 358 E C 1.969 178.584 176.600 0.025 0.000 0.982 358 E CA 0.669 57.069 56.400 -0.000 0.000 0.800 358 E CB 0.149 29.846 29.700 -0.006 0.000 0.756 358 E HN 0.069 nan 8.360 nan 0.000 0.449 359 R N 0.045 120.530 120.500 -0.025 0.000 2.189 359 R HA -0.000 4.339 4.340 -0.002 0.000 0.218 359 R C 2.403 178.722 176.300 0.032 0.000 1.074 359 R CA 0.532 56.622 56.100 -0.016 0.000 0.991 359 R CB -0.010 30.186 30.300 -0.173 0.000 0.883 359 R HN 0.271 nan 8.270 nan 0.000 0.457 360 L N 0.328 121.547 121.223 -0.007 0.000 2.072 360 L HA -0.140 4.199 4.340 -0.002 0.000 0.205 360 L C 1.529 178.478 176.870 0.131 0.000 1.079 360 L CA 1.005 55.849 54.840 0.008 0.000 0.752 360 L CB -0.349 41.633 42.059 -0.128 0.000 0.906 360 L HN 0.170 nan 8.230 nan 0.000 0.436 361 N N 0.110 118.872 118.700 0.103 0.000 2.244 361 N HA -0.109 4.630 4.740 -0.002 0.000 0.183 361 N C 1.901 177.535 175.510 0.207 0.000 1.016 361 N CA 1.027 54.166 53.050 0.148 0.000 0.866 361 N CB -0.251 38.295 38.487 0.099 0.000 0.980 361 N HN 0.268 nan 8.380 nan 0.000 0.430 362 L N -0.159 121.200 121.223 0.227 0.000 2.056 362 L HA -0.073 4.266 4.340 -0.002 0.000 0.207 362 L C 2.027 179.130 176.870 0.388 0.000 1.078 362 L CA 0.737 55.755 54.840 0.298 0.000 0.749 362 L CB -0.409 41.853 42.059 0.338 0.000 0.901 362 L HN -0.011 nan 8.230 nan 0.000 0.433 363 V N -0.160 119.972 119.914 0.364 0.000 2.427 363 V HA -0.264 3.855 4.120 -0.002 0.000 0.248 363 V C 2.451 178.753 176.094 0.346 0.000 1.051 363 V CA 1.795 64.325 62.300 0.384 0.000 1.048 363 V CB -0.449 31.623 31.823 0.414 0.000 0.666 363 V HN 0.495 nan 8.190 nan 0.000 0.456 364 E N 0.554 121.018 120.200 0.440 0.000 2.118 364 E HA -0.238 4.111 4.350 -0.002 0.000 0.195 364 E C 2.174 178.879 176.600 0.176 0.000 0.992 364 E CA 1.348 57.980 56.400 0.387 0.000 0.804 364 E CB -0.195 29.755 29.700 0.417 0.000 0.741 364 E HN 0.577 nan 8.360 nan 0.000 0.458 365 A N -0.284 122.630 122.820 0.156 0.000 2.070 365 A HA -0.107 4.212 4.320 -0.002 0.000 0.220 365 A C 1.519 178.981 177.584 -0.204 0.000 1.159 365 A CA 0.874 52.902 52.037 -0.015 0.000 0.656 365 A CB -0.443 18.519 19.000 -0.064 0.000 0.800 365 A HN 0.341 nan 8.150 nan 0.000 0.453 366 F N -1.857 118.094 119.950 0.002 0.000 2.731 366 F HA 0.111 4.637 4.527 -0.002 0.000 0.298 366 F C 1.952 177.710 175.800 -0.068 0.000 1.106 366 F CA 0.228 58.205 58.000 -0.038 0.000 1.329 366 F CB 0.279 39.251 39.000 -0.047 0.000 1.100 366 F HN -0.007 nan 8.300 nan 0.000 0.592 367 V N -0.018 119.916 119.914 0.033 0.000 2.256 367 V HA -0.195 3.924 4.120 -0.002 0.000 0.240 367 V C 1.761 177.815 176.094 -0.067 0.000 1.036 367 V CA 1.780 64.025 62.300 -0.091 0.000 1.008 367 V CB -0.388 31.263 31.823 -0.287 0.000 0.648 367 V HN 0.207 nan 8.190 nan 0.000 0.453 368 E N -0.455 119.708 120.200 -0.061 0.000 2.489 368 E HA -0.082 4.267 4.350 -0.002 0.000 0.193 368 E C 1.435 178.000 176.600 -0.058 0.000 1.057 368 E CA 0.089 56.454 56.400 -0.060 0.000 0.866 368 E CB 0.083 29.746 29.700 -0.062 0.000 0.916 368 E HN 0.486 nan 8.360 nan 0.000 0.500 369 D N 0.237 120.602 120.400 -0.059 0.000 2.213 369 D HA -0.069 4.570 4.640 -0.002 0.000 0.205 369 D C 1.569 177.845 176.300 -0.041 0.000 0.961 369 D CA 1.165 55.129 54.000 -0.061 0.000 0.853 369 D CB 0.353 41.088 40.800 -0.108 0.000 0.967 369 D HN 0.076 nan 8.370 nan 0.000 0.496 370 A N 0.709 123.515 122.820 -0.023 0.000 2.068 370 A HA -0.396 3.923 4.320 -0.002 0.000 0.231 370 A C 1.645 179.230 177.584 0.002 0.000 0.430 370 A CA 2.179 54.212 52.037 -0.008 0.000 1.105 370 A CB -1.932 17.057 19.000 -0.019 0.000 1.437 370 A HN 0.473 nan 8.150 nan 0.000 0.706 371 E N -0.130 120.062 120.200 -0.015 0.000 2.338 371 E HA -0.000 4.349 4.350 -0.002 0.000 0.197 371 E C 1.838 178.433 176.600 -0.007 0.000 1.007 371 E CA 0.986 57.377 56.400 -0.015 0.000 0.849 371 E CB -0.195 29.488 29.700 -0.029 0.000 0.774 371 E HN 0.803 nan 8.360 nan 0.000 0.506 372 L N 0.284 121.506 121.223 -0.001 0.000 2.007 372 L HA -0.135 4.204 4.340 -0.002 0.000 0.205 372 L C 2.577 179.527 176.870 0.134 0.000 1.073 372 L CA 1.134 56.007 54.840 0.056 0.000 0.744 372 L CB -0.275 41.794 42.059 0.017 0.000 0.898 372 L HN 0.023 nan 8.230 nan 0.000 0.435 373 R N -0.127 120.467 120.500 0.158 0.000 2.080 373 R HA -0.209 4.130 4.340 -0.002 0.000 0.236 373 R C 2.272 178.599 176.300 0.045 0.000 1.137 373 R CA 1.655 57.816 56.100 0.102 0.000 0.943 373 R CB -0.440 29.932 30.300 0.120 0.000 0.846 373 R HN 0.447 nan 8.270 nan 0.000 0.431 374 Q N -0.412 119.415 119.800 0.045 0.000 2.234 374 Q HA -0.147 4.192 4.340 -0.002 0.000 0.206 374 Q C 1.838 177.844 176.000 0.011 0.000 0.980 374 Q CA 1.949 57.768 55.803 0.027 0.000 0.869 374 Q CB -0.037 28.713 28.738 0.021 0.000 0.912 374 Q HN 0.522 nan 8.270 nan 0.000 0.436 375 T N -3.256 111.306 114.554 0.013 0.000 3.014 375 T HA 0.192 4.541 4.350 -0.002 0.000 0.250 375 T C 1.598 176.302 174.700 0.007 0.000 1.060 375 T CA -0.083 62.022 62.100 0.008 0.000 1.040 375 T CB 0.150 69.022 68.868 0.008 0.000 0.971 375 T HN 0.072 nan 8.240 nan 0.000 0.497 376 L N -0.168 121.055 121.223 -0.000 0.000 2.356 376 L HA 0.224 4.563 4.340 -0.002 0.000 0.193 376 L C 3.065 179.894 176.870 -0.069 0.000 1.087 376 L CA 0.302 55.126 54.840 -0.027 0.000 0.817 376 L CB -0.504 41.533 42.059 -0.036 0.000 1.035 376 L HN 0.119 nan 8.230 nan 0.000 0.482 377 Q N 1.411 121.149 119.800 -0.104 0.000 1.985 377 Q HA -0.269 4.070 4.340 -0.002 0.000 0.207 377 Q C 1.737 177.643 176.000 -0.157 0.000 0.996 377 Q CA 2.631 58.322 55.803 -0.186 0.000 0.851 377 Q CB -0.096 28.476 28.738 -0.276 0.000 0.921 377 Q HN 0.700 nan 8.270 nan 0.000 0.418 378 E N -1.387 118.746 120.200 -0.112 0.000 2.478 378 E HA -0.037 4.312 4.350 -0.002 0.000 0.194 378 E C 0.503 177.081 176.600 -0.036 0.000 1.045 378 E CA 0.709 57.065 56.400 -0.075 0.000 0.868 378 E CB 0.287 29.960 29.700 -0.046 0.000 0.885 378 E HN 0.264 nan 8.360 nan 0.000 0.505 379 D N 0.629 121.015 120.400 -0.023 0.000 3.194 379 D HA 0.138 4.777 4.640 -0.002 0.000 0.290 379 D C 2.019 178.334 176.300 0.024 0.000 1.280 379 D CA 0.204 54.203 54.000 -0.000 0.000 1.058 379 D CB -0.179 40.624 40.800 0.004 0.000 1.241 379 D HN 0.086 nan 8.370 nan 0.000 0.421 380 L N 0.803 122.052 121.223 0.043 0.000 2.049 380 L HA 0.045 4.384 4.340 -0.002 0.000 0.203 380 L C 2.565 179.565 176.870 0.217 0.000 1.074 380 L CA 0.565 55.480 54.840 0.124 0.000 0.749 380 L CB -0.331 41.804 42.059 0.127 0.000 0.907 380 L HN -0.045 nan 8.230 nan 0.000 0.439 381 L N 0.223 121.496 121.223 0.083 0.000 2.081 381 L HA -0.245 4.094 4.340 -0.002 0.000 0.212 381 L C 2.761 179.715 176.870 0.141 0.000 1.080 381 L CA 1.585 56.455 54.840 0.051 0.000 0.754 381 L CB -0.642 41.361 42.059 -0.094 0.000 0.893 381 L HN 0.400 nan 8.230 nan 0.000 0.433 382 R N 0.474 121.018 120.500 0.073 0.000 2.285 382 R HA -0.112 4.227 4.340 -0.002 0.000 0.213 382 R C 1.568 177.905 176.300 0.061 0.000 1.068 382 R CA 0.868 56.995 56.100 0.045 0.000 1.004 382 R CB -0.342 29.960 30.300 0.003 0.000 0.873 382 R HN 0.313 nan 8.270 nan 0.000 0.467 383 R N 0.108 120.665 120.500 0.095 0.000 2.426 383 R HA 0.223 4.562 4.340 -0.002 0.000 0.263 383 R C -0.845 175.333 176.300 -0.204 0.000 0.961 383 R CA -0.126 55.945 56.100 -0.049 0.000 1.086 383 R CB 0.268 30.506 30.300 -0.105 0.000 1.186 383 R HN 0.084 nan 8.270 nan 0.000 0.537 384 F N 1.922 121.840 119.950 -0.054 0.000 2.449 384 F HA 0.394 4.920 4.527 -0.002 0.000 0.342 384 F C -1.866 173.910 175.800 -0.040 0.000 1.127 384 F CA -2.610 55.357 58.000 -0.055 0.000 0.975 384 F CB 1.691 40.660 39.000 -0.052 0.000 1.146 384 F HN -0.105 nan 8.300 nan 0.000 0.444 385 P HA 0.126 nan 4.420 nan 0.000 0.284 385 P C -1.091 176.255 177.300 0.076 0.000 1.292 385 P CA -0.505 62.633 63.100 0.064 0.000 0.800 385 P CB 0.913 32.630 31.700 0.029 0.000 1.188 386 D N -0.056 120.383 120.400 0.066 0.000 2.383 386 D HA 0.068 4.707 4.640 -0.002 0.000 0.245 386 D C 1.160 177.498 176.300 0.063 0.000 1.263 386 D CA 0.081 54.118 54.000 0.061 0.000 0.936 386 D CB -0.469 40.371 40.800 0.067 0.000 1.053 386 D HN 0.165 nan 8.370 nan 0.000 0.507 387 L N 3.030 124.292 121.223 0.065 0.000 2.131 387 L HA -0.138 4.201 4.340 -0.002 0.000 0.210 387 L C 1.699 178.614 176.870 0.075 0.000 1.092 387 L CA 0.536 55.419 54.840 0.072 0.000 0.759 387 L CB -0.319 41.786 42.059 0.077 0.000 0.903 387 L HN 0.334 nan 8.230 nan 0.000 0.435 388 N N 0.032 118.769 118.700 0.063 0.000 2.309 388 N HA -0.155 4.584 4.740 -0.002 0.000 0.182 388 N C 1.837 177.377 175.510 0.050 0.000 1.018 388 N CA 0.801 53.886 53.050 0.058 0.000 0.876 388 N CB -0.221 38.297 38.487 0.052 0.000 0.972 388 N HN 0.292 nan 8.380 nan 0.000 0.434 389 R N 0.565 121.092 120.500 0.046 0.000 2.073 389 R HA 0.075 4.414 4.340 -0.002 0.000 0.229 389 R C 1.844 178.129 176.300 -0.024 0.000 1.120 389 R CA 0.663 56.774 56.100 0.019 0.000 0.967 389 R CB -0.087 30.237 30.300 0.040 0.000 0.862 389 R HN 0.163 nan 8.270 nan 0.000 0.436 390 L N 0.220 121.446 121.223 0.006 0.000 2.044 390 L HA -0.046 4.293 4.340 -0.002 0.000 0.205 390 L C 2.766 179.690 176.870 0.090 0.000 1.075 390 L CA 1.159 55.997 54.840 -0.004 0.000 0.747 390 L CB -0.658 41.465 42.059 0.106 0.000 0.903 390 L HN 0.259 nan 8.230 nan 0.000 0.435 391 A N 0.398 123.310 122.820 0.153 0.000 1.892 391 A HA -0.244 4.075 4.320 -0.002 0.000 0.218 391 A C 2.325 179.985 177.584 0.126 0.000 1.188 391 A CA 1.882 54.033 52.037 0.190 0.000 0.631 391 A CB -0.418 18.652 19.000 0.116 0.000 0.822 391 A HN 0.330 nan 8.150 nan 0.000 0.447 392 K N -0.574 119.849 120.400 0.038 0.000 2.288 392 K HA -0.034 4.285 4.320 -0.002 0.000 0.201 392 K C 1.874 178.429 176.600 -0.074 0.000 1.048 392 K CA 1.010 57.289 56.287 -0.013 0.000 0.956 392 K CB -0.062 32.435 32.500 -0.005 0.000 0.746 392 K HN 0.441 nan 8.250 nan 0.000 0.461 393 K N -0.125 120.187 120.400 -0.147 0.000 2.155 393 K HA -0.047 4.272 4.320 -0.002 0.000 0.203 393 K C 1.677 178.106 176.600 -0.284 0.000 1.052 393 K CA 1.065 57.188 56.287 -0.274 0.000 0.948 393 K CB 0.006 32.257 32.500 -0.415 0.000 0.728 393 K HN 0.038 nan 8.250 nan 0.000 0.448 394 F N 1.282 121.208 119.950 -0.041 0.000 2.367 394 F HA -0.044 4.482 4.527 -0.002 0.000 0.298 394 F C 2.607 178.381 175.800 -0.044 0.000 1.094 394 F CA 0.825 58.807 58.000 -0.030 0.000 1.409 394 F CB -0.255 38.738 39.000 -0.011 0.000 1.064 394 F HN 0.066 nan 8.300 nan 0.000 0.528 395 Q N 0.910 120.769 119.800 0.099 0.000 2.123 395 Q HA -0.108 4.231 4.340 -0.002 0.000 0.199 395 Q C 2.200 178.159 176.000 -0.069 0.000 0.966 395 Q CA 1.503 57.309 55.803 0.005 0.000 0.845 395 Q CB 0.043 28.764 28.738 -0.029 0.000 0.907 395 Q HN 0.356 nan 8.270 nan 0.000 0.439 396 R N 0.505 120.945 120.500 -0.099 0.000 2.391 396 R HA 0.099 4.438 4.340 -0.002 0.000 0.249 396 R C 0.748 176.995 176.300 -0.088 0.000 0.957 396 R CA 0.727 56.748 56.100 -0.132 0.000 1.093 396 R CB -0.802 29.403 30.300 -0.158 0.000 1.156 396 R HN 0.575 nan 8.270 nan 0.000 0.526 397 Q N -2.194 117.577 119.800 -0.048 0.000 2.223 397 Q HA -0.260 4.079 4.340 -0.002 0.000 0.152 397 Q C 0.920 176.892 176.000 -0.047 0.000 1.694 397 Q CA 1.754 57.543 55.803 -0.023 0.000 1.200 397 Q CB -2.142 26.583 28.738 -0.022 0.000 1.182 397 Q HN 0.828 nan 8.270 nan 0.000 0.882 398 A N 0.908 123.677 122.820 -0.085 0.000 2.899 398 A HA 0.551 4.870 4.320 -0.002 0.000 0.287 398 A C 0.091 177.572 177.584 -0.172 0.000 1.715 398 A CA 0.792 52.766 52.037 -0.106 0.000 1.393 398 A CB -0.242 18.697 19.000 -0.102 0.000 1.070 398 A HN 0.457 nan 8.150 nan 0.000 0.587 399 A N 2.987 125.703 122.820 -0.174 0.000 2.375 399 A HA 0.598 4.917 4.320 -0.002 0.000 0.295 399 A C -0.175 177.304 177.584 -0.175 0.000 1.066 399 A CA -0.733 51.125 52.037 -0.299 0.000 0.722 399 A CB 0.642 19.320 19.000 -0.537 0.000 1.206 399 A HN 0.646 nan 8.150 nan 0.000 0.435 400 N N 1.003 119.588 118.700 -0.191 0.000 2.424 400 N HA 0.180 4.919 4.740 -0.002 0.000 0.257 400 N C 0.988 176.416 175.510 -0.137 0.000 1.250 400 N CA -0.635 52.331 53.050 -0.141 0.000 0.946 400 N CB 0.773 39.169 38.487 -0.152 0.000 1.175 400 N HN 0.557 nan 8.380 nan 0.000 0.477 401 L N 1.798 122.937 121.223 -0.139 0.000 2.201 401 L HA -0.064 4.275 4.340 -0.002 0.000 0.212 401 L C 2.133 178.755 176.870 -0.413 0.000 1.105 401 L CA 1.648 56.391 54.840 -0.162 0.000 0.775 401 L CB -0.840 41.157 42.059 -0.103 0.000 0.913 401 L HN 0.762 nan 8.230 nan 0.000 0.440 402 Q N -0.646 118.757 119.800 -0.661 0.000 2.096 402 Q HA -0.248 4.091 4.340 -0.002 0.000 0.204 402 Q C 1.417 177.157 176.000 -0.432 0.000 0.982 402 Q CA 2.080 57.238 55.803 -1.075 0.000 0.850 402 Q CB -0.067 28.293 28.738 -0.630 0.000 0.901 402 Q HN 0.538 nan 8.270 nan 0.000 0.422 403 D N -0.300 119.962 120.400 -0.230 0.000 2.263 403 D HA -0.116 4.523 4.640 -0.002 0.000 0.208 403 D C 1.751 178.130 176.300 0.132 0.000 0.971 403 D CA 0.780 54.728 54.000 -0.087 0.000 0.867 403 D CB -0.297 40.361 40.800 -0.237 0.000 0.929 403 D HN 0.346 nan 8.370 nan 0.000 0.492 404 C N -0.131 119.258 119.300 0.148 0.000 2.457 404 C HA -0.097 4.362 4.460 -0.002 0.000 0.278 404 C C 2.447 177.560 174.990 0.205 0.000 1.309 404 C CA -0.166 59.013 59.018 0.268 0.000 1.735 404 C CB -1.084 26.767 27.740 0.186 0.000 1.992 404 C HN 0.351 nan 8.230 nan 0.000 0.493 405 Y N 1.688 121.980 120.300 -0.013 0.000 2.395 405 Y HA -0.029 4.520 4.550 -0.002 0.000 0.293 405 Y C 2.698 178.673 175.900 0.125 0.000 1.123 405 Y CA 1.391 59.527 58.100 0.061 0.000 1.227 405 Y CB -0.482 38.048 38.460 0.117 0.000 1.012 405 Y HN 0.178 nan 8.280 nan 0.000 0.552 406 R N -0.365 120.173 120.500 0.063 0.000 2.115 406 R HA -0.129 4.210 4.340 -0.002 0.000 0.230 406 R C 1.997 178.265 176.300 -0.054 0.000 1.111 406 R CA 1.407 57.500 56.100 -0.013 0.000 0.976 406 R CB -0.376 29.941 30.300 0.029 0.000 0.870 406 R HN 0.448 nan 8.270 nan 0.000 0.445 407 L N 0.093 121.336 121.223 0.033 0.000 2.109 407 L HA -0.100 4.239 4.340 -0.002 0.000 0.207 407 L C 1.926 178.761 176.870 -0.059 0.000 1.086 407 L CA 1.559 56.405 54.840 0.009 0.000 0.760 407 L CB -0.756 41.379 42.059 0.127 0.000 0.910 407 L HN 0.189 nan 8.230 nan 0.000 0.437 408 Y N 0.316 120.534 120.300 -0.138 0.000 2.070 408 Y HA -0.347 4.202 4.550 -0.002 0.000 0.280 408 Y C 2.605 178.311 175.900 -0.324 0.000 1.148 408 Y CA 2.338 60.310 58.100 -0.213 0.000 1.125 408 Y CB -0.301 38.021 38.460 -0.231 0.000 0.975 408 Y HN 0.317 nan 8.280 nan 0.000 0.492 409 Q N -0.270 119.281 119.800 -0.415 0.000 2.096 409 Q HA -0.235 4.104 4.340 -0.002 0.000 0.208 409 Q C 2.481 178.159 176.000 -0.537 0.000 0.993 409 Q CA 1.579 57.085 55.803 -0.495 0.000 0.862 409 Q CB -0.749 27.729 28.738 -0.434 0.000 0.915 409 Q HN 0.715 nan 8.270 nan 0.000 0.416 410 G N 0.953 109.430 108.800 -0.537 0.000 2.421 410 G HA2 -0.227 3.732 3.960 -0.002 0.000 0.216 410 G HA3 -0.227 3.732 3.960 -0.002 0.000 0.216 410 G C 1.368 175.862 174.900 -0.677 0.000 1.171 410 G CA 0.830 45.449 45.100 -0.801 0.000 0.775 410 G HN 0.277 nan 8.290 nan 0.000 0.543 411 I N 0.712 121.007 120.570 -0.458 0.000 2.761 411 I HA -0.053 4.116 4.170 -0.002 0.000 0.261 411 I C 2.325 178.241 176.117 -0.335 0.000 1.198 411 I CA 0.528 61.625 61.300 -0.338 0.000 1.482 411 I CB -0.149 37.605 38.000 -0.411 0.000 1.100 411 I HN 0.083 nan 8.210 nan 0.000 0.445 412 N N 1.153 119.546 118.700 -0.511 0.000 2.396 412 N HA -0.136 4.603 4.740 -0.002 0.000 0.180 412 N C 1.512 176.847 175.510 -0.291 0.000 1.028 412 N CA 1.172 53.920 53.050 -0.502 0.000 0.893 412 N CB 0.130 38.146 38.487 -0.784 0.000 0.967 412 N HN 0.411 nan 8.380 nan 0.000 0.440 413 Q N -0.585 119.038 119.800 -0.295 0.000 2.247 413 Q HA 0.108 4.447 4.340 -0.002 0.000 0.204 413 Q C 1.053 177.071 176.000 0.030 0.000 0.872 413 Q CA -0.246 55.461 55.803 -0.161 0.000 0.951 413 Q CB 0.502 29.099 28.738 -0.236 0.000 1.099 413 Q HN 0.210 nan 8.270 nan 0.000 0.501 414 L N 2.314 123.558 121.223 0.035 0.000 2.072 414 L HA -0.024 4.315 4.340 -0.002 0.000 0.205 414 L C -0.931 176.005 176.870 0.111 0.000 1.079 414 L CA 1.704 56.651 54.840 0.178 0.000 0.752 414 L CB -0.602 41.539 42.059 0.137 0.000 0.906 414 L HN 0.071 nan 8.230 nan 0.000 0.436 415 P HA -0.089 nan 4.420 nan 0.000 0.233 415 P C 0.856 178.181 177.300 0.042 0.000 1.167 415 P CA 0.905 64.032 63.100 0.045 0.000 0.770 415 P CB -0.113 31.600 31.700 0.022 0.000 0.837 416 N N 0.177 118.903 118.700 0.043 0.000 2.354 416 N HA -0.070 4.669 4.740 -0.002 0.000 0.179 416 N C 1.593 177.137 175.510 0.058 0.000 1.021 416 N CA 0.642 53.715 53.050 0.039 0.000 0.887 416 N CB -0.767 37.735 38.487 0.026 0.000 0.974 416 N HN -0.133 nan 8.380 nan 0.000 0.437 417 V N 1.861 121.831 119.914 0.093 0.000 2.323 417 V HA -0.150 3.969 4.120 -0.002 0.000 0.244 417 V C 2.174 178.297 176.094 0.048 0.000 1.041 417 V CA 1.498 63.844 62.300 0.078 0.000 1.025 417 V CB -0.630 31.243 31.823 0.083 0.000 0.656 417 V HN 0.456 nan 8.190 nan 0.000 0.451 418 I N -1.695 118.909 120.570 0.057 0.000 2.916 418 I HA -0.167 4.002 4.170 -0.002 0.000 0.267 418 I C 2.282 178.415 176.117 0.027 0.000 1.263 418 I CA 1.257 62.586 61.300 0.049 0.000 1.471 418 I CB -0.554 37.485 38.000 0.065 0.000 1.089 418 I HN 0.246 nan 8.210 nan 0.000 0.468 419 Q N 1.873 121.685 119.800 0.021 0.000 2.123 419 Q HA -0.030 4.309 4.340 -0.002 0.000 0.199 419 Q C 2.511 178.501 176.000 -0.017 0.000 0.966 419 Q CA 1.869 57.676 55.803 0.007 0.000 0.845 419 Q CB -0.156 28.589 28.738 0.011 0.000 0.907 419 Q HN 0.727 nan 8.270 nan 0.000 0.439 420 A N 0.419 123.227 122.820 -0.021 0.000 2.016 420 A HA -0.004 4.315 4.320 -0.002 0.000 0.217 420 A C 2.037 179.549 177.584 -0.120 0.000 1.162 420 A CA 0.478 52.483 52.037 -0.052 0.000 0.662 420 A CB -0.370 18.615 19.000 -0.025 0.000 0.812 420 A HN 0.275 nan 8.150 nan 0.000 0.450 421 L N -0.571 120.596 121.223 -0.093 0.000 2.552 421 L HA 0.001 4.340 4.340 -0.002 0.000 0.227 421 L C 0.781 177.533 176.870 -0.197 0.000 1.146 421 L CA 0.598 55.347 54.840 -0.151 0.000 0.858 421 L CB -0.121 41.926 42.059 -0.021 0.000 0.969 421 L HN 0.391 nan 8.230 nan 0.000 0.451 422 E N -0.412 119.717 120.200 -0.118 0.000 2.723 422 E HA 0.105 4.454 4.350 -0.002 0.000 0.219 422 E C 0.449 177.028 176.600 -0.034 0.000 1.060 422 E CA -0.110 56.274 56.400 -0.027 0.000 1.291 422 E CB 0.556 30.273 29.700 0.028 0.000 1.265 422 E HN 0.322 nan 8.360 nan 0.000 0.438 423 K N -0.853 119.444 120.400 -0.172 0.000 2.509 423 K HA 0.165 4.484 4.320 -0.002 0.000 0.205 423 K C 0.226 176.827 176.600 0.002 0.000 1.336 423 K CA -0.054 56.189 56.287 -0.074 0.000 0.912 423 K CB 0.371 32.818 32.500 -0.089 0.000 1.568 423 K HN 0.049 nan 8.250 nan 0.000 0.475 424 H N 0.362 119.406 119.070 -0.043 0.000 1.452 424 H HA -0.261 4.294 4.556 -0.002 0.000 0.090 424 H C 0.769 176.077 175.328 -0.033 0.000 0.985 424 H CA 2.112 58.130 56.048 -0.050 0.000 1.901 424 H CB -0.728 29.013 29.762 -0.034 0.000 2.257 424 H HN 0.232 nan 8.280 nan 0.000 0.961 425 E N -1.453 118.844 120.200 0.161 0.000 2.502 425 E HA 0.350 4.699 4.350 -0.002 0.000 0.206 425 E C 1.039 177.678 176.600 0.065 0.000 0.821 425 E CA 0.662 57.105 56.400 0.071 0.000 1.354 425 E CB 1.738 31.463 29.700 0.042 0.000 1.336 425 E HN 0.709 nan 8.360 nan 0.000 0.675 426 G N -0.468 108.376 108.800 0.074 0.000 4.887 426 G HA2 0.386 4.345 3.960 -0.002 0.000 0.220 426 G HA3 0.386 4.345 3.960 -0.002 0.000 0.220 426 G C -0.627 174.268 174.900 -0.007 0.000 0.775 426 G CA -0.044 45.080 45.100 0.040 0.000 1.041 426 G HN 0.372 nan 8.290 nan 0.000 0.627 427 K N 0.242 120.602 120.400 -0.066 0.000 6.451 427 K HA -0.202 4.117 4.320 -0.002 0.000 0.695 427 K C 0.593 177.052 176.600 -0.234 0.000 1.739 427 K CA 1.392 57.456 56.287 -0.372 0.000 1.661 427 K CB -2.647 29.702 32.500 -0.251 0.000 1.886 427 K HN 0.962 nan 8.250 nan 0.000 0.334 428 H N 0.729 119.599 119.070 -0.333 0.000 2.284 428 H HA 0.131 4.686 4.556 -0.002 0.000 0.314 428 H C 0.963 176.198 175.328 -0.154 0.000 1.058 428 H CA 1.843 57.790 56.048 -0.168 0.000 1.394 428 H CB 0.716 30.420 29.762 -0.097 0.000 1.431 428 H HN 0.787 nan 8.280 nan 0.000 0.537 429 Q N 1.130 120.825 119.800 -0.174 0.000 2.490 429 Q HA 0.112 4.451 4.340 -0.002 0.000 0.397 429 Q C 0.932 176.869 176.000 -0.105 0.000 0.937 429 Q CA -0.228 55.482 55.803 -0.154 0.000 1.108 429 Q CB 1.138 29.865 28.738 -0.018 0.000 1.336 429 Q HN 0.303 nan 8.270 nan 0.000 0.410 430 K N 0.607 120.894 120.400 -0.188 0.000 2.288 430 K HA -0.008 4.311 4.320 -0.002 0.000 0.201 430 K C 1.344 177.934 176.600 -0.016 0.000 1.048 430 K CA 0.654 56.873 56.287 -0.113 0.000 0.956 430 K CB 0.306 32.697 32.500 -0.182 0.000 0.746 430 K HN 0.383 nan 8.250 nan 0.000 0.461 431 L N 0.770 121.969 121.223 -0.040 0.000 2.201 431 L HA -0.111 4.228 4.340 -0.002 0.000 0.212 431 L C 1.835 178.718 176.870 0.022 0.000 1.105 431 L CA 0.713 55.545 54.840 -0.012 0.000 0.775 431 L CB -0.152 41.886 42.059 -0.036 0.000 0.913 431 L HN 0.187 nan 8.230 nan 0.000 0.440 432 L N -0.447 120.796 121.223 0.035 0.000 2.554 432 L HA -0.012 4.327 4.340 -0.002 0.000 0.226 432 L C 1.182 178.152 176.870 0.167 0.000 1.137 432 L CA 0.181 55.071 54.840 0.083 0.000 0.863 432 L CB 0.008 42.117 42.059 0.082 0.000 0.985 432 L HN 0.259 nan 8.230 nan 0.000 0.451 433 L N 0.286 121.610 121.223 0.168 0.000 3.001 433 L HA 0.232 4.571 4.340 -0.002 0.000 0.234 433 L C 1.534 178.526 176.870 0.203 0.000 1.321 433 L CA -0.246 54.758 54.840 0.273 0.000 1.138 433 L CB 0.018 42.222 42.059 0.242 0.000 1.503 433 L HN 0.096 nan 8.230 nan 0.000 0.487 434 A N -0.673 122.226 122.820 0.132 0.000 2.308 434 A HA 0.174 4.493 4.320 -0.002 0.000 0.217 434 A C 1.596 179.198 177.584 0.031 0.000 1.216 434 A CA 0.231 52.312 52.037 0.073 0.000 0.864 434 A CB 0.185 19.212 19.000 0.044 0.000 0.902 434 A HN 0.279 nan 8.150 nan 0.000 0.499 435 V N -1.933 117.986 119.914 0.009 0.000 3.565 435 V HA 0.141 4.260 4.120 -0.002 0.000 0.260 435 V C 1.500 177.357 176.094 -0.395 0.000 1.231 435 V CA 0.896 63.073 62.300 -0.204 0.000 1.100 435 V CB -0.664 30.980 31.823 -0.298 0.000 0.807 435 V HN 0.525 nan 8.190 nan 0.000 0.454 436 F N -1.074 118.928 119.950 0.087 0.000 2.522 436 F HA 0.201 4.728 4.527 -0.001 0.000 0.275 436 F C 2.070 177.916 175.800 0.077 0.000 0.890 436 F CA 0.714 58.769 58.000 0.092 0.000 1.157 436 F CB -0.527 38.552 39.000 0.132 0.000 1.117 436 F HN -0.216 nan 8.300 nan 0.000 0.787 437 V N 0.648 120.733 119.914 0.285 0.000 2.233 437 V HA -0.299 3.820 4.120 -0.002 0.000 0.247 437 V C 2.573 178.739 176.094 0.121 0.000 1.050 437 V CA 2.768 65.174 62.300 0.176 0.000 1.010 437 V CB -1.490 30.425 31.823 0.154 0.000 0.637 437 V HN 0.597 nan 8.190 nan 0.000 0.444 438 T N -1.330 113.283 114.554 0.099 0.000 2.746 438 T HA -0.091 4.258 4.350 -0.002 0.000 0.267 438 T C -0.168 174.566 174.700 0.056 0.000 1.039 438 T CA 1.559 63.699 62.100 0.067 0.000 1.142 438 T CB -1.756 67.143 68.868 0.051 0.000 0.866 438 T HN 0.447 nan 8.240 nan 0.000 0.444 439 P HA 0.166 nan 4.420 nan 0.000 0.219 439 P C 1.662 178.998 177.300 0.060 0.000 1.150 439 P CA 0.535 63.657 63.100 0.036 0.000 0.814 439 P CB -0.236 31.465 31.700 0.003 0.000 0.787 440 L N -1.356 119.917 121.223 0.083 0.000 2.141 440 L HA -0.126 4.213 4.340 -0.002 0.000 0.209 440 L C 2.456 179.387 176.870 0.100 0.000 1.094 440 L CA 1.683 56.584 54.840 0.102 0.000 0.763 440 L CB -1.170 40.959 42.059 0.118 0.000 0.908 440 L HN 0.065 nan 8.230 nan 0.000 0.437 441 T N -1.461 113.145 114.554 0.085 0.000 3.055 441 T HA -0.106 4.243 4.350 -0.002 0.000 0.265 441 T C 1.260 176.001 174.700 0.069 0.000 1.111 441 T CA 0.990 63.136 62.100 0.077 0.000 1.118 441 T CB -0.088 68.820 68.868 0.066 0.000 0.909 441 T HN 0.259 nan 8.240 nan 0.000 0.501 442 D N 0.655 121.092 120.400 0.062 0.000 2.213 442 D HA 0.139 4.778 4.640 -0.002 0.000 0.205 442 D C 1.937 178.266 176.300 0.049 0.000 0.961 442 D CA 0.534 54.561 54.000 0.045 0.000 0.853 442 D CB -0.107 40.711 40.800 0.030 0.000 0.967 442 D HN 0.388 nan 8.370 nan 0.000 0.496 443 L N 0.217 121.489 121.223 0.082 0.000 2.240 443 L HA 0.004 4.343 4.340 -0.002 0.000 0.211 443 L C 2.321 179.317 176.870 0.211 0.000 1.106 443 L CA 0.410 55.327 54.840 0.128 0.000 0.793 443 L CB -0.049 42.122 42.059 0.186 0.000 0.927 443 L HN -0.080 nan 8.230 nan 0.000 0.446 444 R N 0.798 121.398 120.500 0.168 0.000 2.092 444 R HA -0.125 4.214 4.340 -0.002 0.000 0.231 444 R C 2.396 178.779 176.300 0.139 0.000 1.119 444 R CA 1.931 58.130 56.100 0.166 0.000 0.970 444 R CB -0.588 29.780 30.300 0.114 0.000 0.864 444 R HN 0.394 nan 8.270 nan 0.000 0.440 445 S N -0.546 115.211 115.700 0.094 0.000 2.428 445 S HA -0.030 4.439 4.470 -0.002 0.000 0.230 445 S C 1.174 175.811 174.600 0.061 0.000 1.014 445 S CA 0.932 59.175 58.200 0.071 0.000 0.957 445 S CB -0.114 63.115 63.200 0.048 0.000 0.784 445 S HN 0.281 nan 8.310 nan 0.000 0.499 446 D N 1.157 121.569 120.400 0.021 0.000 2.123 446 D HA 0.097 4.736 4.640 -0.002 0.000 0.200 446 D C 1.060 177.347 176.300 -0.021 0.000 0.976 446 D CA 0.835 54.796 54.000 -0.065 0.000 0.831 446 D CB -0.416 40.242 40.800 -0.235 0.000 0.974 446 D HN 0.482 nan 8.370 nan 0.000 0.469 447 F N 1.006 121.014 119.950 0.098 0.000 2.797 447 F HA 0.035 4.561 4.527 -0.002 0.000 0.302 447 F C 2.322 178.152 175.800 0.050 0.000 1.130 447 F CA 0.031 58.036 58.000 0.007 0.000 1.387 447 F CB -0.370 38.607 39.000 -0.038 0.000 1.107 447 F HN -0.108 nan 8.300 nan 0.000 0.577 448 S N 0.287 116.116 115.700 0.216 0.000 2.370 448 S HA -0.253 4.216 4.470 -0.002 0.000 0.226 448 S C 1.899 176.583 174.600 0.140 0.000 1.033 448 S CA 1.235 59.525 58.200 0.149 0.000 1.011 448 S CB -0.454 62.812 63.200 0.109 0.000 0.852 448 S HN 0.422 nan 8.310 nan 0.000 0.457 449 K N -0.137 120.368 120.400 0.175 0.000 2.228 449 K HA 0.136 4.455 4.320 -0.002 0.000 0.202 449 K C 1.765 178.476 176.600 0.186 0.000 1.051 449 K CA 0.950 57.342 56.287 0.175 0.000 0.960 449 K CB -0.278 32.344 32.500 0.203 0.000 0.743 449 K HN 0.451 nan 8.250 nan 0.000 0.458 450 F N 2.385 122.330 119.950 -0.008 0.000 2.206 450 F HA -0.117 4.409 4.527 -0.001 0.000 0.298 450 F C 2.165 177.942 175.800 -0.038 0.000 1.090 450 F CA 1.237 59.149 58.000 -0.146 0.000 1.323 450 F CB 0.124 38.748 39.000 -0.627 0.000 1.028 450 F HN -0.068 nan 8.300 nan 0.000 0.492 451 Q N 0.666 120.464 119.800 -0.004 0.000 2.079 451 Q HA -0.180 4.159 4.340 -0.002 0.000 0.200 451 Q C 2.051 178.055 176.000 0.007 0.000 0.974 451 Q CA 1.798 57.598 55.803 -0.004 0.000 0.840 451 Q CB -0.589 28.167 28.738 0.030 0.000 0.898 451 Q HN 0.590 nan 8.270 nan 0.000 0.430 452 E N 0.310 120.515 120.200 0.008 0.000 2.268 452 E HA -0.094 4.255 4.350 -0.002 0.000 0.195 452 E C 1.888 178.463 176.600 -0.041 0.000 0.995 452 E CA 0.365 56.771 56.400 0.010 0.000 0.836 452 E CB -0.076 29.647 29.700 0.039 0.000 0.763 452 E HN 0.290 nan 8.360 nan 0.000 0.491 453 M N 0.661 120.200 119.600 -0.101 0.000 2.098 453 M HA -0.121 4.358 4.480 -0.002 0.000 0.262 453 M C 2.106 178.242 176.300 -0.273 0.000 1.072 453 M CA 1.513 56.718 55.300 -0.158 0.000 1.133 453 M CB 0.039 32.544 32.600 -0.157 0.000 1.344 453 M HN 0.056 nan 8.290 nan 0.000 0.414 454 I N 0.485 120.843 120.570 -0.354 0.000 2.264 454 I HA -0.304 3.865 4.170 -0.002 0.000 0.248 454 I C 1.972 177.888 176.117 -0.335 0.000 1.111 454 I CA 1.558 62.614 61.300 -0.406 0.000 1.382 454 I CB -0.689 36.991 38.000 -0.533 0.000 1.060 454 I HN 0.425 nan 8.210 nan 0.000 0.418 455 E N 0.257 120.335 120.200 -0.203 0.000 2.204 455 E HA -0.182 4.167 4.350 -0.002 0.000 0.195 455 E C 2.031 178.566 176.600 -0.107 0.000 0.990 455 E CA 1.825 58.156 56.400 -0.115 0.000 0.821 455 E CB -0.059 29.644 29.700 0.005 0.000 0.750 455 E HN 0.638 nan 8.360 nan 0.000 0.477 456 T N -2.592 111.880 114.554 -0.136 0.000 3.037 456 T HA -0.002 4.347 4.350 -0.002 0.000 0.252 456 T C 2.010 176.538 174.700 -0.286 0.000 1.073 456 T CA 0.881 62.923 62.100 -0.098 0.000 1.091 456 T CB 0.127 69.007 68.868 0.020 0.000 0.935 456 T HN 0.158 nan 8.240 nan 0.000 0.488 457 T N 0.256 114.512 114.554 -0.496 0.000 2.980 457 T HA 0.336 4.685 4.350 -0.002 0.000 0.239 457 T C 0.611 175.100 174.700 -0.351 0.000 1.011 457 T CA -0.372 61.299 62.100 -0.716 0.000 1.171 457 T CB -0.743 67.643 68.868 -0.803 0.000 0.873 457 T HN 0.240 nan 8.240 nan 0.000 0.431 458 L N 3.241 124.294 121.223 -0.283 0.000 2.453 458 L HA 0.355 4.694 4.340 -0.002 0.000 0.272 458 L C -0.246 176.534 176.870 -0.150 0.000 1.182 458 L CA -0.175 54.550 54.840 -0.192 0.000 0.858 458 L CB 0.362 42.299 42.059 -0.204 0.000 1.120 458 L HN 0.198 nan 8.230 nan 0.000 0.474 459 D N 4.337 124.672 120.400 -0.109 0.000 2.367 459 D HA -0.022 4.617 4.640 -0.002 0.000 0.255 459 D C 0.867 177.081 176.300 -0.143 0.000 1.300 459 D CA 0.015 53.959 54.000 -0.094 0.000 0.959 459 D CB 0.727 41.490 40.800 -0.062 0.000 1.064 459 D HN 0.612 nan 8.370 nan 0.000 0.509 460 M N 2.745 122.266 119.600 -0.131 0.000 2.319 460 M HA -0.065 4.414 4.480 -0.002 0.000 0.265 460 M C 0.910 177.127 176.300 -0.138 0.000 1.068 460 M CA 1.135 56.348 55.300 -0.145 0.000 1.118 460 M CB 0.094 32.644 32.600 -0.084 0.000 1.395 460 M HN 0.188 nan 8.290 nan 0.000 0.435 461 D N -0.114 120.221 120.400 -0.107 0.000 2.117 461 D HA -0.124 4.515 4.640 -0.002 0.000 0.198 461 D C 1.255 177.479 176.300 -0.127 0.000 0.982 461 D CA 1.173 55.117 54.000 -0.093 0.000 0.828 461 D CB -0.267 40.497 40.800 -0.061 0.000 0.967 461 D HN 0.506 nan 8.370 nan 0.000 0.464 462 Q N 0.306 120.015 119.800 -0.151 0.000 2.247 462 Q HA 0.108 4.447 4.340 -0.002 0.000 0.205 462 Q C 1.479 177.300 176.000 -0.299 0.000 0.896 462 Q CA -0.168 55.529 55.803 -0.177 0.000 0.950 462 Q CB 0.821 29.480 28.738 -0.132 0.000 1.054 462 Q HN 0.105 nan 8.270 nan 0.000 0.482 463 V N 0.626 120.317 119.914 -0.373 0.000 2.548 463 V HA -0.214 3.905 4.120 -0.002 0.000 0.249 463 V C 1.723 177.516 176.094 -0.501 0.000 1.055 463 V CA 1.643 63.583 62.300 -0.599 0.000 1.065 463 V CB -0.207 31.211 31.823 -0.675 0.000 0.681 463 V HN 0.415 nan 8.190 nan 0.000 0.462 464 E N 0.632 120.642 120.200 -0.317 0.000 2.338 464 E HA -0.129 4.220 4.350 -0.002 0.000 0.197 464 E C 0.802 177.262 176.600 -0.233 0.000 1.007 464 E CA 0.667 56.915 56.400 -0.252 0.000 0.849 464 E CB -0.148 29.464 29.700 -0.148 0.000 0.774 464 E HN 0.576 nan 8.360 nan 0.000 0.506 465 N N 0.298 118.868 118.700 -0.215 0.000 2.346 465 N HA 0.043 4.782 4.740 -0.002 0.000 0.225 465 N C -0.696 174.773 175.510 -0.068 0.000 1.144 465 N CA 0.133 53.119 53.050 -0.106 0.000 0.837 465 N CB -0.015 38.417 38.487 -0.091 0.000 1.069 465 N HN 0.192 nan 8.380 nan 0.000 0.487 466 H N -1.354 117.580 119.070 -0.228 0.000 3.284 466 H HA -0.213 4.342 4.556 -0.002 0.000 0.257 466 H C -0.398 174.743 175.328 -0.312 0.000 1.091 466 H CA 1.445 57.358 56.048 -0.225 0.000 1.190 466 H CB -1.063 28.653 29.762 -0.076 0.000 1.268 466 H HN 0.450 nan 8.280 nan 0.000 0.322 467 E N -0.434 119.559 120.200 -0.345 0.000 2.221 467 E HA 0.468 4.817 4.350 -0.002 0.000 0.268 467 E C -0.710 175.536 176.600 -0.590 0.000 0.933 467 E CA -0.825 55.406 56.400 -0.281 0.000 0.809 467 E CB 1.360 31.000 29.700 -0.101 0.000 1.190 467 E HN 0.083 nan 8.360 nan 0.000 0.406 468 F N 2.064 121.974 119.950 -0.067 0.000 2.443 468 F HA 0.324 4.850 4.527 -0.001 0.000 0.369 468 F C -0.135 175.623 175.800 -0.070 0.000 1.090 468 F CA -0.493 57.447 58.000 -0.101 0.000 1.129 468 F CB 0.472 39.417 39.000 -0.091 0.000 1.367 468 F HN 0.093 nan 8.300 nan 0.000 0.465 469 L N 1.948 123.187 121.223 0.027 0.000 2.440 469 L HA 0.717 5.056 4.340 -0.002 0.000 0.262 469 L C -0.287 176.588 176.870 0.009 0.000 1.072 469 L CA -1.406 53.453 54.840 0.031 0.000 0.798 469 L CB 1.443 43.521 42.059 0.031 0.000 1.307 469 L HN 0.064 nan 8.230 nan 0.000 0.475 470 V N -0.015 119.907 119.914 0.014 0.000 2.581 470 V HA 0.256 4.375 4.120 -0.002 0.000 0.303 470 V C -0.105 176.008 176.094 0.032 0.000 1.041 470 V CA -1.086 61.208 62.300 -0.009 0.000 0.907 470 V CB 1.596 33.406 31.823 -0.021 0.000 0.994 470 V HN 0.557 nan 8.190 nan 0.000 0.442 471 K N 4.527 124.937 120.400 0.018 0.000 2.419 471 K HA 0.162 4.481 4.320 -0.002 0.000 0.282 471 K C -2.233 174.443 176.600 0.127 0.000 1.056 471 K CA -1.069 55.255 56.287 0.061 0.000 1.035 471 K CB 0.535 33.065 32.500 0.051 0.000 0.921 471 K HN 0.401 nan 8.250 nan 0.000 0.472 472 P HA 0.039 nan 4.420 nan 0.000 0.218 472 P C -0.301 177.059 177.300 0.101 0.000 1.793 472 P CA 0.054 63.238 63.100 0.140 0.000 0.941 472 P CB 0.145 31.933 31.700 0.146 0.000 1.919 473 S N -2.029 113.739 115.700 0.114 0.000 2.348 473 S HA 0.030 4.499 4.470 -0.002 0.000 0.276 473 S C 1.135 175.798 174.600 0.104 0.000 1.027 473 S CA -0.304 57.947 58.200 0.085 0.000 1.386 473 S CB -1.049 62.195 63.200 0.073 0.000 1.122 473 S HN 0.105 nan 8.310 nan 0.000 0.573 474 F N 3.734 123.686 119.950 0.003 0.000 2.060 474 F HA 0.278 4.804 4.527 -0.002 0.000 0.295 474 F C 0.529 176.328 175.800 -0.002 0.000 1.120 474 F CA 1.543 59.540 58.000 -0.004 0.000 1.205 474 F CB -0.339 38.654 39.000 -0.013 0.000 0.986 474 F HN 0.229 nan 8.300 nan 0.000 0.470 475 D N 0.550 120.868 120.400 -0.137 0.000 2.280 475 D HA 0.224 4.863 4.640 -0.002 0.000 0.243 475 D C -1.983 174.255 176.300 -0.104 0.000 1.129 475 D CA -2.711 51.144 54.000 -0.242 0.000 0.848 475 D CB 1.497 42.267 40.800 -0.049 0.000 1.107 475 D HN -0.068 nan 8.370 nan 0.000 0.471 476 P HA -0.149 nan 4.420 nan 0.000 0.218 476 P C 0.931 178.215 177.300 -0.027 0.000 1.146 476 P CA 0.783 63.844 63.100 -0.065 0.000 0.813 476 P CB 0.281 31.935 31.700 -0.076 0.000 0.778 477 N N -0.469 118.215 118.700 -0.027 0.000 2.135 477 N HA -0.085 4.654 4.740 -0.002 0.000 0.186 477 N C 1.586 177.124 175.510 0.047 0.000 1.027 477 N CA 1.208 54.260 53.050 0.003 0.000 0.849 477 N CB -0.899 37.582 38.487 -0.009 0.000 1.002 477 N HN 0.047 nan 8.380 nan 0.000 0.425 478 L N 0.379 121.639 121.223 0.061 0.000 2.141 478 L HA -0.092 4.247 4.340 -0.002 0.000 0.209 478 L C 2.411 179.385 176.870 0.173 0.000 1.094 478 L CA 1.249 56.185 54.840 0.160 0.000 0.763 478 L CB -0.606 41.527 42.059 0.123 0.000 0.908 478 L HN 0.276 nan 8.230 nan 0.000 0.437 479 S N -0.579 115.176 115.700 0.092 0.000 2.355 479 S HA -0.247 4.222 4.470 -0.002 0.000 0.222 479 S C 1.859 176.485 174.600 0.043 0.000 1.031 479 S CA 1.213 59.451 58.200 0.064 0.000 0.993 479 S CB -0.369 62.853 63.200 0.036 0.000 0.859 479 S HN 0.499 nan 8.310 nan 0.000 0.453 480 E N 0.492 120.713 120.200 0.034 0.000 2.072 480 E HA -0.116 4.233 4.350 -0.002 0.000 0.191 480 E C 1.935 178.547 176.600 0.020 0.000 0.985 480 E CA 0.998 57.410 56.400 0.020 0.000 0.801 480 E CB -0.166 29.542 29.700 0.013 0.000 0.750 480 E HN 0.451 nan 8.360 nan 0.000 0.452 481 L N 1.106 122.357 121.223 0.046 0.000 2.395 481 L HA -0.008 4.331 4.340 -0.002 0.000 0.218 481 L C 2.286 179.128 176.870 -0.046 0.000 1.130 481 L CA 1.181 56.042 54.840 0.035 0.000 0.826 481 L CB -0.313 41.821 42.059 0.125 0.000 0.941 481 L HN 0.025 nan 8.230 nan 0.000 0.451 482 R N -0.798 119.680 120.500 -0.037 0.000 2.112 482 R HA -0.044 4.295 4.340 -0.002 0.000 0.216 482 R C 1.938 178.197 176.300 -0.067 0.000 1.080 482 R CA 0.825 56.854 56.100 -0.119 0.000 0.996 482 R CB 0.068 30.325 30.300 -0.071 0.000 0.902 482 R HN 0.407 nan 8.270 nan 0.000 0.449 483 E N 0.448 120.632 120.200 -0.027 0.000 2.118 483 E HA -0.197 4.152 4.350 -0.002 0.000 0.195 483 E C 1.916 178.507 176.600 -0.015 0.000 0.992 483 E CA 1.392 57.783 56.400 -0.015 0.000 0.804 483 E CB -0.045 29.652 29.700 -0.005 0.000 0.741 483 E HN 0.415 nan 8.360 nan 0.000 0.458 484 I N 0.439 120.995 120.570 -0.024 0.000 2.286 484 I HA -0.247 3.922 4.170 -0.002 0.000 0.245 484 I C 2.441 178.550 176.117 -0.014 0.000 1.104 484 I CA 0.955 62.244 61.300 -0.019 0.000 1.397 484 I CB -0.176 37.810 38.000 -0.024 0.000 1.072 484 I HN 0.145 nan 8.210 nan 0.000 0.417 485 M N 0.160 119.725 119.600 -0.058 0.000 2.200 485 M HA -0.168 4.311 4.480 -0.002 0.000 0.265 485 M C 2.087 178.457 176.300 0.117 0.000 1.066 485 M CA 1.536 56.819 55.300 -0.028 0.000 1.127 485 M CB -0.577 31.871 32.600 -0.255 0.000 1.379 485 M HN 0.224 nan 8.290 nan 0.000 0.420 486 N N 0.806 119.524 118.700 0.030 0.000 2.188 486 N HA -0.196 4.543 4.740 -0.002 0.000 0.184 486 N C 1.280 176.799 175.510 0.016 0.000 1.018 486 N CA 1.666 54.731 53.050 0.026 0.000 0.858 486 N CB -0.179 38.307 38.487 -0.001 0.000 0.989 486 N HN 0.211 nan 8.380 nan 0.000 0.426 487 D N -0.761 119.646 120.400 0.012 0.000 2.224 487 D HA -0.070 4.569 4.640 -0.002 0.000 0.205 487 D C 1.770 178.071 176.300 0.001 0.000 0.965 487 D CA 0.299 54.300 54.000 0.001 0.000 0.852 487 D CB -0.132 40.668 40.800 0.000 0.000 0.947 487 D HN 0.235 nan 8.370 nan 0.000 0.494 488 L N 0.515 121.760 121.223 0.037 0.000 2.240 488 L HA 0.090 4.429 4.340 -0.002 0.000 0.211 488 L C 2.259 179.096 176.870 -0.056 0.000 1.106 488 L CA 2.030 56.896 54.840 0.043 0.000 0.793 488 L CB -0.825 41.335 42.059 0.167 0.000 0.927 488 L HN 0.148 nan 8.230 nan 0.000 0.446 489 E N -0.196 119.965 120.200 -0.064 0.000 2.072 489 E HA -0.213 4.136 4.350 -0.002 0.000 0.190 489 E C 2.161 178.634 176.600 -0.211 0.000 0.982 489 E CA 1.435 57.689 56.400 -0.243 0.000 0.803 489 E CB -0.615 28.996 29.700 -0.148 0.000 0.755 489 E HN 0.607 nan 8.360 nan 0.000 0.453 490 K N 0.144 120.477 120.400 -0.112 0.000 2.097 490 K HA -0.117 4.202 4.320 -0.002 0.000 0.206 490 K C 2.424 178.970 176.600 -0.091 0.000 1.049 490 K CA 1.516 57.749 56.287 -0.089 0.000 0.933 490 K CB -0.079 32.390 32.500 -0.051 0.000 0.717 490 K HN 0.230 nan 8.250 nan 0.000 0.442 491 K N 0.369 120.716 120.400 -0.088 0.000 2.211 491 K HA -0.033 4.286 4.320 -0.002 0.000 0.203 491 K C 2.011 178.554 176.600 -0.094 0.000 1.050 491 K CA 1.085 57.330 56.287 -0.071 0.000 0.945 491 K CB -0.022 32.447 32.500 -0.052 0.000 0.732 491 K HN 0.167 nan 8.250 nan 0.000 0.451 492 M N 0.182 119.677 119.600 -0.175 0.000 2.254 492 M HA -0.143 4.336 4.480 -0.002 0.000 0.265 492 M C 1.844 178.048 176.300 -0.160 0.000 1.066 492 M CA 1.386 56.548 55.300 -0.229 0.000 1.123 492 M CB -0.036 32.281 32.600 -0.472 0.000 1.388 492 M HN -0.012 nan 8.290 nan 0.000 0.425 493 Q N -0.314 119.401 119.800 -0.142 0.000 2.224 493 Q HA -0.075 4.264 4.340 -0.002 0.000 0.203 493 Q C 2.222 178.210 176.000 -0.021 0.000 0.970 493 Q CA 1.336 57.092 55.803 -0.079 0.000 0.865 493 Q CB -0.227 28.465 28.738 -0.077 0.000 0.922 493 Q HN 0.368 nan 8.270 nan 0.000 0.445 494 S N -0.916 114.770 115.700 -0.023 0.000 2.428 494 S HA -0.106 4.363 4.470 -0.002 0.000 0.230 494 S C 1.848 176.467 174.600 0.032 0.000 1.014 494 S CA 1.430 59.630 58.200 0.001 0.000 0.957 494 S CB -0.192 63.002 63.200 -0.010 0.000 0.784 494 S HN 0.673 nan 8.310 nan 0.000 0.499 495 T N -0.289 114.297 114.554 0.054 0.000 3.014 495 T HA 0.068 4.417 4.350 -0.002 0.000 0.263 495 T C 1.698 176.527 174.700 0.215 0.000 1.078 495 T CA 0.804 62.976 62.100 0.121 0.000 1.135 495 T CB -0.416 68.551 68.868 0.165 0.000 0.895 495 T HN 0.276 nan 8.240 nan 0.000 0.480 496 L N 1.119 122.482 121.223 0.233 0.000 2.093 496 L HA 0.249 4.588 4.340 -0.002 0.000 0.208 496 L C 2.185 179.150 176.870 0.158 0.000 1.085 496 L CA 1.400 56.425 54.840 0.310 0.000 0.755 496 L CB -0.570 41.593 42.059 0.173 0.000 0.904 496 L HN 0.337 nan 8.230 nan 0.000 0.435 497 I N -1.704 118.921 120.570 0.091 0.000 2.439 497 I HA -0.180 3.989 4.170 -0.002 0.000 0.251 497 I C 2.519 178.666 176.117 0.049 0.000 1.139 497 I CA 1.142 62.476 61.300 0.056 0.000 1.438 497 I CB -0.480 37.540 38.000 0.034 0.000 1.085 497 I HN 0.260 nan 8.210 nan 0.000 0.427 498 S N 0.731 116.461 115.700 0.049 0.000 2.406 498 S HA -0.024 4.445 4.470 -0.002 0.000 0.228 498 S C 2.133 176.752 174.600 0.032 0.000 1.020 498 S CA 1.173 59.392 58.200 0.032 0.000 0.965 498 S CB -0.045 63.169 63.200 0.023 0.000 0.798 498 S HN 0.459 nan 8.310 nan 0.000 0.488 499 A N 0.758 123.592 122.820 0.024 0.000 1.970 499 A HA 0.443 4.762 4.320 -0.002 0.000 0.216 499 A C 2.298 179.922 177.584 0.066 0.000 1.170 499 A CA 1.288 53.335 52.037 0.017 0.000 0.645 499 A CB -0.927 17.882 19.000 -0.319 0.000 0.816 499 A HN 0.647 nan 8.150 nan 0.000 0.447 500 A N -0.033 122.818 122.820 0.051 0.000 2.014 500 A HA -0.062 4.257 4.320 -0.002 0.000 0.218 500 A C 2.174 179.778 177.584 0.033 0.000 1.163 500 A CA 1.315 53.379 52.037 0.044 0.000 0.652 500 A CB -0.472 18.559 19.000 0.051 0.000 0.808 500 A HN 0.551 nan 8.150 nan 0.000 0.449 501 R N 0.119 120.642 120.500 0.038 0.000 2.083 501 R HA -0.206 4.133 4.340 -0.002 0.000 0.237 501 R C 1.160 177.479 176.300 0.032 0.000 1.137 501 R CA 2.170 58.288 56.100 0.029 0.000 0.951 501 R CB -0.412 29.904 30.300 0.027 0.000 0.851 501 R HN 0.419 nan 8.270 nan 0.000 0.434 502 D N 0.593 121.026 120.400 0.056 0.000 2.097 502 D HA -0.122 4.517 4.640 -0.002 0.000 0.197 502 D C 1.963 178.279 176.300 0.026 0.000 0.984 502 D CA 1.186 55.227 54.000 0.067 0.000 0.826 502 D CB -0.159 40.740 40.800 0.165 0.000 0.973 502 D HN 0.311 nan 8.370 nan 0.000 0.460 503 L N -0.497 120.723 121.223 -0.004 0.000 2.418 503 L HA 0.179 4.517 4.340 -0.002 0.000 0.218 503 L C 1.277 178.127 176.870 -0.033 0.000 1.125 503 L CA 0.434 55.240 54.840 -0.057 0.000 0.835 503 L CB -0.326 41.660 42.059 -0.122 0.000 0.953 503 L HN 0.124 nan 8.230 nan 0.000 0.454 504 G N 1.368 110.162 108.800 -0.010 0.000 2.225 504 G HA2 -0.268 3.691 3.960 -0.002 0.000 0.264 504 G HA3 -0.268 3.691 3.960 -0.002 0.000 0.264 504 G C -0.186 174.711 174.900 -0.005 0.000 1.060 504 G CA -0.064 45.033 45.100 -0.006 0.000 0.833 504 G HN 0.260 nan 8.290 nan 0.000 0.498 505 L N 1.150 122.373 121.223 0.000 0.000 2.404 505 L HA 0.343 4.682 4.340 -0.002 0.000 0.272 505 L C -0.187 176.694 176.870 0.019 0.000 0.980 505 L CA -1.347 53.496 54.840 0.007 0.000 0.836 505 L CB 1.618 43.680 42.059 0.005 0.000 1.238 505 L HN 0.309 nan 8.230 nan 0.000 0.408 506 D N 3.325 123.735 120.400 0.017 0.000 2.583 506 D HA 0.034 4.673 4.640 -0.002 0.000 0.232 506 D C -2.352 173.966 176.300 0.029 0.000 1.128 506 D CA -0.905 53.108 54.000 0.021 0.000 0.859 506 D CB 0.105 40.914 40.800 0.015 0.000 1.169 506 D HN 0.174 nan 8.370 nan 0.000 0.481 507 P HA 0.187 nan 4.420 nan 0.000 0.274 507 P C 1.098 178.416 177.300 0.030 0.000 1.237 507 P CA 0.347 63.473 63.100 0.044 0.000 0.793 507 P CB 1.055 32.784 31.700 0.048 0.000 0.977 508 G N 1.923 110.740 108.800 0.028 0.000 2.417 508 G HA2 -0.313 3.646 3.960 -0.002 0.000 0.233 508 G HA3 -0.313 3.646 3.960 -0.002 0.000 0.233 508 G C 1.060 175.969 174.900 0.014 0.000 1.103 508 G CA 0.769 45.877 45.100 0.013 0.000 0.647 508 G HN 0.558 nan 8.290 nan 0.000 0.512 509 K N -0.416 119.996 120.400 0.019 0.000 2.218 509 K HA 0.251 4.570 4.320 -0.002 0.000 0.214 509 K C 2.518 179.133 176.600 0.024 0.000 1.033 509 K CA 0.834 57.132 56.287 0.018 0.000 0.949 509 K CB -0.165 32.343 32.500 0.014 0.000 0.993 509 K HN 0.365 nan 8.250 nan 0.000 0.464 510 Q N 0.187 120.003 119.800 0.028 0.000 2.212 510 Q HA 0.133 4.472 4.340 -0.002 0.000 0.199 510 Q C 0.181 176.212 176.000 0.051 0.000 0.950 510 Q CA 0.682 56.505 55.803 0.033 0.000 0.863 510 Q CB 0.479 29.232 28.738 0.025 0.000 0.944 510 Q HN 0.247 nan 8.270 nan 0.000 0.465 511 I N 1.314 121.920 120.570 0.061 0.000 2.468 511 I HA 0.256 4.425 4.170 -0.002 0.000 0.285 511 I C -0.572 175.592 176.117 0.078 0.000 1.039 511 I CA -0.496 60.859 61.300 0.092 0.000 1.074 511 I CB 1.750 39.822 38.000 0.119 0.000 1.228 511 I HN -0.078 nan 8.210 nan 0.000 0.436 512 K N 5.498 125.934 120.400 0.060 0.000 2.416 512 K HA 0.724 5.043 4.320 -0.002 0.000 0.244 512 K C -0.964 175.616 176.600 -0.032 0.000 1.044 512 K CA -0.940 55.355 56.287 0.014 0.000 0.972 512 K CB 2.039 34.536 32.500 -0.005 0.000 1.286 512 K HN 0.384 nan 8.250 nan 0.000 0.500 513 L N 1.964 123.118 121.223 -0.116 0.000 2.529 513 L HA 0.285 4.624 4.340 -0.002 0.000 0.260 513 L C -1.532 175.165 176.870 -0.287 0.000 0.997 513 L CA -0.539 54.147 54.840 -0.256 0.000 0.885 513 L CB 1.045 42.944 42.059 -0.267 0.000 1.185 513 L HN 0.573 nan 8.230 nan 0.000 0.442 514 D N 1.355 121.456 120.400 -0.499 0.000 2.466 514 D HA 0.604 5.243 4.640 -0.002 0.000 0.262 514 D C -0.273 175.595 176.300 -0.721 0.000 1.177 514 D CA -0.051 53.614 54.000 -0.557 0.000 1.035 514 D CB 1.825 42.300 40.800 -0.542 0.000 1.105 514 D HN 0.443 nan 8.370 nan 0.000 0.551 515 S N -1.461 113.920 115.700 -0.532 0.000 2.547 515 S HA 0.684 5.153 4.470 -0.002 0.000 0.281 515 S C -0.813 173.673 174.600 -0.191 0.000 1.118 515 S CA -0.766 57.114 58.200 -0.532 0.000 0.947 515 S CB 1.850 64.640 63.200 -0.684 0.000 1.053 515 S HN 0.274 nan 8.310 nan 0.000 0.482 516 S N 0.639 116.324 115.700 -0.026 0.000 2.541 516 S HA 0.687 5.156 4.470 -0.002 0.000 0.271 516 S C 0.708 175.319 174.600 0.017 0.000 1.133 516 S CA -0.135 58.120 58.200 0.092 0.000 0.876 516 S CB 1.329 64.729 63.200 0.332 0.000 1.105 516 S HN 1.491 nan 8.310 nan 0.000 0.470 517 A N 2.716 125.520 122.820 -0.027 0.000 2.066 517 A HA 0.010 4.329 4.320 -0.002 0.000 0.218 517 A C 1.863 179.374 177.584 -0.121 0.000 1.157 517 A CA 0.954 52.957 52.037 -0.056 0.000 0.670 517 A CB -0.376 18.594 19.000 -0.050 0.000 0.804 517 A HN 0.781 nan 8.150 nan 0.000 0.453 518 Q N -1.662 118.010 119.800 -0.214 0.000 2.172 518 Q HA -0.048 4.291 4.340 -0.002 0.000 0.200 518 Q C 0.951 176.472 176.000 -0.798 0.000 0.964 518 Q CA 1.400 56.863 55.803 -0.567 0.000 0.855 518 Q CB -0.133 28.130 28.738 -0.791 0.000 0.918 518 Q HN 0.791 nan 8.270 nan 0.000 0.444 519 F N -2.113 117.851 119.950 0.024 0.000 2.334 519 F HA 0.410 4.936 4.527 -0.002 0.000 0.269 519 F C 1.271 177.111 175.800 0.068 0.000 0.879 519 F CA 0.434 58.457 58.000 0.038 0.000 1.102 519 F CB 0.230 39.230 39.000 0.000 0.000 1.032 519 F HN 0.145 nan 8.300 nan 0.000 0.782 520 G N -0.483 108.483 108.800 0.276 0.000 2.217 520 G HA2 -0.036 3.923 3.960 -0.002 0.000 0.173 520 G HA3 -0.036 3.923 3.960 -0.002 0.000 0.173 520 G C -1.695 173.182 174.900 -0.039 0.000 1.324 520 G CA -1.081 44.055 45.100 0.061 0.000 1.225 520 G HN -0.036 nan 8.290 nan 0.000 0.494 521 Y N 1.311 121.588 120.300 -0.038 0.000 2.309 521 Y HA 0.627 5.176 4.550 -0.002 0.000 0.327 521 Y C 0.545 176.339 175.900 -0.178 0.000 1.172 521 Y CA 0.732 58.677 58.100 -0.258 0.000 1.280 521 Y CB 1.058 39.302 38.460 -0.360 0.000 1.234 521 Y HN 0.738 nan 8.280 nan 0.000 0.512 522 Y N -0.553 119.648 120.300 -0.165 0.000 2.592 522 Y HA 0.622 5.171 4.550 -0.002 0.000 0.334 522 Y C -1.906 173.722 175.900 -0.453 0.000 1.136 522 Y CA -2.587 55.336 58.100 -0.296 0.000 1.042 522 Y CB 0.454 38.804 38.460 -0.182 0.000 1.325 522 Y HN 0.313 nan 8.280 nan 0.000 0.457 523 F N 2.470 122.268 119.950 -0.254 0.000 2.412 523 F HA 0.588 5.114 4.527 -0.002 0.000 0.348 523 F C 0.641 176.093 175.800 -0.581 0.000 1.102 523 F CA -0.293 57.390 58.000 -0.529 0.000 1.196 523 F CB 1.087 39.560 39.000 -0.879 0.000 1.144 523 F HN 0.438 nan 8.300 nan 0.000 0.541 524 R N 2.154 122.617 120.500 -0.061 0.000 2.599 524 R HA 0.696 5.035 4.340 -0.002 0.000 0.295 524 R C -1.673 174.755 176.300 0.213 0.000 0.963 524 R CA -0.710 55.457 56.100 0.111 0.000 0.883 524 R CB 2.083 32.481 30.300 0.165 0.000 1.171 524 R HN 0.560 nan 8.270 nan 0.000 0.450 525 V N 2.554 122.664 119.914 0.328 0.000 2.547 525 V HA 0.130 4.249 4.120 -0.002 0.000 0.299 525 V C 1.113 177.286 176.094 0.131 0.000 1.040 525 V CA -0.401 62.043 62.300 0.240 0.000 0.913 525 V CB 1.937 33.895 31.823 0.225 0.000 0.992 525 V HN 0.971 nan 8.190 nan 0.000 0.449 526 T N 0.003 114.607 114.554 0.084 0.000 3.699 526 T HA -0.111 4.238 4.350 -0.002 0.000 0.257 526 T C 1.003 175.727 174.700 0.041 0.000 1.155 526 T CA 0.480 62.614 62.100 0.056 0.000 0.987 526 T CB -1.284 67.607 68.868 0.039 0.000 1.028 526 T HN 1.005 nan 8.240 nan 0.000 0.583 527 C N 1.466 120.794 119.300 0.045 0.000 4.274 527 C HA -0.184 4.275 4.460 -0.002 0.000 0.297 527 C C 1.146 176.140 174.990 0.007 0.000 1.446 527 C CA 1.230 60.264 59.018 0.026 0.000 2.016 527 C CB -2.223 25.534 27.740 0.028 0.000 1.273 527 C HN 0.984 nan 8.230 nan 0.000 0.782 528 K N -1.145 119.255 120.400 -0.000 0.000 2.625 528 K HA 0.307 4.626 4.320 -0.002 0.000 0.190 528 K C -0.490 176.095 176.600 -0.025 0.000 1.174 528 K CA -0.330 55.951 56.287 -0.010 0.000 1.103 528 K CB 0.305 32.803 32.500 -0.003 0.000 0.900 528 K HN 0.406 nan 8.250 nan 0.000 0.540 529 E N 1.730 121.907 120.200 -0.038 0.000 2.145 529 E HA 0.168 4.517 4.350 -0.002 0.000 0.270 529 E C -0.170 176.371 176.600 -0.098 0.000 0.906 529 E CA -0.393 55.968 56.400 -0.066 0.000 0.761 529 E CB 1.797 31.453 29.700 -0.073 0.000 1.116 529 E HN 0.138 nan 8.360 nan 0.000 0.408 530 E N 1.568 121.714 120.200 -0.090 0.000 2.479 530 E HA 0.007 4.356 4.350 -0.002 0.000 0.193 530 E C 0.885 177.411 176.600 -0.123 0.000 1.049 530 E CA -0.011 56.331 56.400 -0.097 0.000 0.870 530 E CB 0.394 30.054 29.700 -0.067 0.000 0.944 530 E HN 0.258 nan 8.360 nan 0.000 0.492 531 K N 0.509 120.821 120.400 -0.146 0.000 2.063 531 K HA -0.087 4.232 4.320 -0.002 0.000 0.208 531 K C 2.068 178.533 176.600 -0.226 0.000 1.048 531 K CA 0.796 56.984 56.287 -0.165 0.000 0.928 531 K CB -0.543 31.853 32.500 -0.175 0.000 0.713 531 K HN 0.037 nan 8.250 nan 0.000 0.442 532 V N 1.610 121.323 119.914 -0.334 0.000 2.278 532 V HA -0.160 3.959 4.120 -0.002 0.000 0.231 532 V C 2.430 178.376 176.094 -0.246 0.000 1.048 532 V CA 1.028 63.072 62.300 -0.426 0.000 1.015 532 V CB -0.841 30.525 31.823 -0.763 0.000 0.652 532 V HN 0.127 nan 8.190 nan 0.000 0.466 533 L N -0.190 120.898 121.223 -0.225 0.000 2.425 533 L HA -0.421 3.918 4.340 -0.002 0.000 0.231 533 L C 2.018 178.837 176.870 -0.085 0.000 1.140 533 L CA 2.861 57.621 54.840 -0.133 0.000 0.856 533 L CB -0.623 41.373 42.059 -0.105 0.000 0.960 533 L HN 0.625 nan 8.230 nan 0.000 0.446 534 R N -1.924 118.531 120.500 -0.076 0.000 2.599 534 R HA 0.530 4.869 4.340 -0.002 0.000 0.451 534 R C 0.286 176.562 176.300 -0.040 0.000 0.988 534 R CA 0.908 56.980 56.100 -0.047 0.000 1.085 534 R CB -1.548 28.729 30.300 -0.038 0.000 1.452 534 R HN 0.548 nan 8.270 nan 0.000 0.596 535 N N -1.099 117.572 118.700 -0.048 0.000 2.575 535 N HA 0.183 4.922 4.740 -0.002 0.000 0.258 535 N C 1.003 176.506 175.510 -0.011 0.000 1.019 535 N CA 0.673 53.703 53.050 -0.034 0.000 0.909 535 N CB -0.102 38.357 38.487 -0.046 0.000 1.728 535 N HN 0.921 nan 8.380 nan 0.000 0.604 536 N N 1.540 120.231 118.700 -0.014 0.000 2.497 536 N HA 0.469 5.208 4.740 -0.002 0.000 0.268 536 N C -0.144 175.453 175.510 0.146 0.000 1.171 536 N CA 0.011 53.106 53.050 0.075 0.000 0.948 536 N CB 0.109 38.633 38.487 0.062 0.000 1.069 536 N HN 0.619 nan 8.380 nan 0.000 0.460 537 K N 1.098 121.571 120.400 0.122 0.000 2.126 537 K HA 0.402 4.721 4.320 -0.002 0.000 0.257 537 K C 0.600 177.200 176.600 -0.001 0.000 1.007 537 K CA -0.209 56.111 56.287 0.056 0.000 0.928 537 K CB 0.822 33.329 32.500 0.013 0.000 1.013 537 K HN 0.714 nan 8.250 nan 0.000 0.473 538 N N -0.688 117.977 118.700 -0.058 0.000 2.900 538 N HA -0.215 4.524 4.740 -0.002 0.000 0.240 538 N C -0.987 174.375 175.510 -0.247 0.000 0.953 538 N CA 1.089 54.036 53.050 -0.171 0.000 0.950 538 N CB -1.528 36.804 38.487 -0.258 0.000 1.102 538 N HN 0.365 nan 8.380 nan 0.000 0.593 539 F N 0.678 120.623 119.950 -0.008 0.000 2.421 539 F HA 0.544 5.070 4.527 -0.002 0.000 0.337 539 F C 1.302 177.115 175.800 0.021 0.000 1.105 539 F CA -0.365 57.645 58.000 0.016 0.000 1.049 539 F CB 1.511 40.464 39.000 -0.078 0.000 1.139 539 F HN -0.239 nan 8.300 nan 0.000 0.479 540 S N 0.275 116.147 115.700 0.286 0.000 2.623 540 S HA 0.627 5.096 4.470 -0.002 0.000 0.287 540 S C -0.590 174.114 174.600 0.173 0.000 1.123 540 S CA -0.684 57.623 58.200 0.178 0.000 1.016 540 S CB 1.248 64.536 63.200 0.148 0.000 1.233 540 S HN 0.534 nan 8.310 nan 0.000 0.512 541 T N 1.223 115.844 114.554 0.112 0.000 3.089 541 T HA 0.278 4.627 4.350 -0.002 0.000 0.340 541 T C 0.672 175.378 174.700 0.010 0.000 1.008 541 T CA -0.398 61.745 62.100 0.072 0.000 1.096 541 T CB 1.050 69.929 68.868 0.018 0.000 1.024 541 T HN 0.203 nan 8.240 nan 0.000 0.477 542 V N 1.218 121.111 119.914 -0.034 0.000 2.255 542 V HA 0.068 4.187 4.120 -0.002 0.000 0.243 542 V C 0.852 176.720 176.094 -0.376 0.000 1.038 542 V CA 1.442 63.587 62.300 -0.259 0.000 1.008 542 V CB -0.104 31.449 31.823 -0.450 0.000 0.645 542 V HN 0.791 nan 8.190 nan 0.000 0.449 543 D N -2.418 117.777 120.400 -0.343 0.000 2.654 543 D HA 0.456 5.095 4.640 -0.002 0.000 0.231 543 D C -1.499 174.729 176.300 -0.121 0.000 1.239 543 D CA -0.397 53.455 54.000 -0.246 0.000 0.790 543 D CB 1.650 42.223 40.800 -0.378 0.000 1.480 543 D HN 0.076 nan 8.370 nan 0.000 0.442 544 I N 2.494 123.033 120.570 -0.051 0.000 2.468 544 I HA 0.372 4.541 4.170 -0.002 0.000 0.285 544 I C -0.270 175.846 176.117 -0.001 0.000 1.039 544 I CA -0.433 60.856 61.300 -0.018 0.000 1.074 544 I CB 1.756 39.750 38.000 -0.010 0.000 1.228 544 I HN 0.238 nan 8.210 nan 0.000 0.436 545 Q N 3.812 123.616 119.800 0.008 0.000 2.687 545 Q HA 0.424 4.763 4.340 -0.002 0.000 0.305 545 Q C 0.242 176.254 176.000 0.021 0.000 1.006 545 Q CA -0.998 54.815 55.803 0.017 0.000 0.763 545 Q CB 2.231 30.985 28.738 0.025 0.000 1.506 545 Q HN 0.314 nan 8.270 nan 0.000 0.459 546 K N 0.834 121.247 120.400 0.021 0.000 2.103 546 K HA -0.175 4.144 4.320 -0.002 0.000 0.207 546 K C 1.493 178.111 176.600 0.029 0.000 1.048 546 K CA 1.649 57.949 56.287 0.022 0.000 0.930 546 K CB -0.304 32.208 32.500 0.019 0.000 0.716 546 K HN 0.503 nan 8.250 nan 0.000 0.444 547 N N 0.065 118.786 118.700 0.035 0.000 2.060 547 N HA -0.147 4.592 4.740 -0.002 0.000 0.195 547 N C 0.654 176.196 175.510 0.054 0.000 1.028 547 N CA 1.902 54.980 53.050 0.046 0.000 0.861 547 N CB 0.070 38.590 38.487 0.055 0.000 1.029 547 N HN 0.265 nan 8.380 nan 0.000 0.428 548 G N -2.859 105.973 108.800 0.053 0.000 2.315 548 G HA2 0.302 4.261 3.960 -0.002 0.000 0.294 548 G HA3 0.302 4.261 3.960 -0.002 0.000 0.294 548 G C -1.951 172.987 174.900 0.064 0.000 1.300 548 G CA -0.307 44.834 45.100 0.068 0.000 0.843 548 G HN 0.044 nan 8.290 nan 0.000 0.527 549 V N 1.435 121.412 119.914 0.106 0.000 2.318 549 V HA 0.375 4.494 4.120 -0.002 0.000 0.271 549 V C 0.150 176.385 176.094 0.234 0.000 1.030 549 V CA -0.587 61.790 62.300 0.128 0.000 0.844 549 V CB 0.848 32.740 31.823 0.116 0.000 1.015 549 V HN 0.570 nan 8.190 nan 0.000 0.460 550 K N 6.119 126.553 120.400 0.057 0.000 2.234 550 K HA 0.707 5.026 4.320 -0.002 0.000 0.282 550 K C -0.663 175.995 176.600 0.097 0.000 1.039 550 K CA -0.106 56.136 56.287 -0.075 0.000 0.928 550 K CB 0.994 33.120 32.500 -0.622 0.000 1.039 550 K HN 0.644 nan 8.250 nan 0.000 0.470 551 F N -1.706 118.284 119.950 0.067 0.000 2.713 551 F HA 0.534 5.060 4.527 -0.002 0.000 0.311 551 F C -0.916 175.094 175.800 0.351 0.000 1.141 551 F CA -1.066 57.014 58.000 0.133 0.000 0.939 551 F CB 1.364 40.438 39.000 0.122 0.000 1.325 551 F HN 0.466 nan 8.300 nan 0.000 0.453 552 T N -0.563 114.281 114.554 0.484 0.000 2.901 552 T HA 0.672 5.021 4.350 -0.002 0.000 0.293 552 T C -1.157 173.824 174.700 0.469 0.000 1.084 552 T CA -0.869 61.542 62.100 0.519 0.000 1.008 552 T CB 1.870 70.916 68.868 0.297 0.000 1.170 552 T HN 1.013 nan 8.240 nan 0.000 0.509 553 N N -0.100 118.797 118.700 0.329 0.000 2.671 553 N HA 0.381 5.120 4.740 -0.002 0.000 0.303 553 N C 0.838 176.344 175.510 -0.007 0.000 1.277 553 N CA -0.982 52.037 53.050 -0.051 0.000 0.933 553 N CB 0.264 38.492 38.487 -0.431 0.000 1.190 553 N HN 0.480 nan 8.380 nan 0.000 0.600 554 S N -0.805 114.829 115.700 -0.109 0.000 2.423 554 S HA -0.124 4.345 4.470 -0.002 0.000 0.231 554 S C 1.427 176.021 174.600 -0.010 0.000 1.014 554 S CA 1.106 59.277 58.200 -0.048 0.000 0.965 554 S CB -0.285 62.867 63.200 -0.079 0.000 0.785 554 S HN 0.679 nan 8.310 nan 0.000 0.495 555 K N 1.676 122.069 120.400 -0.011 0.000 2.062 555 K HA 0.160 4.479 4.320 -0.002 0.000 0.205 555 K C 1.785 178.424 176.600 0.065 0.000 1.051 555 K CA 0.944 57.244 56.287 0.022 0.000 0.941 555 K CB -0.340 32.169 32.500 0.016 0.000 0.719 555 K HN 0.360 nan 8.250 nan 0.000 0.440 556 L N -0.230 121.071 121.223 0.130 0.000 2.354 556 L HA 0.032 4.371 4.340 -0.002 0.000 0.212 556 L C 1.477 178.407 176.870 0.099 0.000 1.091 556 L CA 0.636 55.548 54.840 0.120 0.000 0.828 556 L CB -0.214 41.946 42.059 0.168 0.000 0.973 556 L HN 0.156 nan 8.230 nan 0.000 0.461 557 T N -0.220 114.404 114.554 0.116 0.000 2.624 557 T HA -0.230 4.119 4.350 -0.002 0.000 0.268 557 T C 1.891 176.643 174.700 0.085 0.000 1.041 557 T CA 2.068 64.231 62.100 0.104 0.000 1.159 557 T CB -0.396 68.528 68.868 0.094 0.000 0.863 557 T HN 0.642 nan 8.240 nan 0.000 0.434 558 S N 0.791 116.532 115.700 0.068 0.000 2.496 558 S HA 0.129 4.598 4.470 -0.002 0.000 0.224 558 S C 1.915 176.553 174.600 0.063 0.000 0.996 558 S CA 0.078 58.315 58.200 0.061 0.000 0.927 558 S CB -0.396 62.831 63.200 0.045 0.000 0.774 558 S HN 0.261 nan 8.310 nan 0.000 0.524 559 L N 2.799 124.057 121.223 0.058 0.000 2.109 559 L HA 0.139 4.478 4.340 -0.002 0.000 0.207 559 L C 2.119 179.035 176.870 0.077 0.000 1.086 559 L CA 1.670 56.539 54.840 0.049 0.000 0.760 559 L CB -0.940 41.130 42.059 0.019 0.000 0.910 559 L HN 0.489 nan 8.230 nan 0.000 0.437 560 N N -0.742 118.011 118.700 0.089 0.000 2.270 560 N HA -0.172 4.566 4.740 -0.002 0.000 0.181 560 N C 1.509 177.131 175.510 0.186 0.000 1.016 560 N CA 0.801 53.941 53.050 0.151 0.000 0.870 560 N CB 0.092 38.668 38.487 0.148 0.000 0.979 560 N HN 0.514 nan 8.380 nan 0.000 0.431 561 E N 0.249 120.529 120.200 0.134 0.000 2.204 561 E HA -0.191 4.158 4.350 -0.002 0.000 0.194 561 E C 1.363 178.030 176.600 0.111 0.000 0.989 561 E CA 0.690 57.160 56.400 0.116 0.000 0.824 561 E CB 0.106 29.858 29.700 0.088 0.000 0.756 561 E HN 0.335 nan 8.360 nan 0.000 0.477 562 E N 0.019 120.289 120.200 0.116 0.000 2.230 562 E HA -0.141 4.208 4.350 -0.002 0.000 0.192 562 E C 1.491 178.162 176.600 0.117 0.000 0.987 562 E CA 0.647 57.104 56.400 0.095 0.000 0.841 562 E CB -0.151 29.596 29.700 0.079 0.000 0.783 562 E HN 0.315 nan 8.360 nan 0.000 0.481 563 Y N 0.523 120.853 120.300 0.050 0.000 2.263 563 Y HA -0.135 4.414 4.550 -0.002 0.000 0.292 563 Y C 2.274 178.209 175.900 0.058 0.000 1.130 563 Y CA 2.096 60.233 58.100 0.062 0.000 1.179 563 Y CB -0.287 38.246 38.460 0.122 0.000 0.998 563 Y HN 0.231 nan 8.280 nan 0.000 0.532 564 T N -2.550 112.123 114.554 0.199 0.000 2.951 564 T HA -0.118 4.231 4.350 -0.002 0.000 0.268 564 T C 1.684 176.408 174.700 0.039 0.000 1.073 564 T CA 1.325 63.494 62.100 0.114 0.000 1.134 564 T CB -0.235 68.705 68.868 0.119 0.000 0.884 564 T HN 0.254 nan 8.240 nan 0.000 0.479 565 K N 0.884 121.303 120.400 0.033 0.000 2.228 565 K HA 0.082 4.401 4.320 -0.002 0.000 0.202 565 K C 2.006 178.597 176.600 -0.015 0.000 1.051 565 K CA 0.872 57.168 56.287 0.015 0.000 0.960 565 K CB -0.093 32.421 32.500 0.023 0.000 0.743 565 K HN 0.259 nan 8.250 nan 0.000 0.458 566 N N 1.195 119.854 118.700 -0.069 0.000 2.216 566 N HA -0.081 4.658 4.740 -0.002 0.000 0.183 566 N C 1.323 176.774 175.510 -0.099 0.000 1.017 566 N CA 1.040 54.020 53.050 -0.117 0.000 0.861 566 N CB 0.063 38.407 38.487 -0.238 0.000 0.986 566 N HN 0.134 nan 8.380 nan 0.000 0.428 567 K N 0.109 120.431 120.400 -0.129 0.000 2.025 567 K HA -0.071 4.248 4.320 -0.002 0.000 0.207 567 K C 2.078 178.718 176.600 0.067 0.000 1.049 567 K CA 1.715 57.981 56.287 -0.036 0.000 0.933 567 K CB -0.366 32.112 32.500 -0.037 0.000 0.714 567 K HN 0.386 nan 8.250 nan 0.000 0.438 568 T N -0.288 114.287 114.554 0.034 0.000 2.720 568 T HA -0.187 4.162 4.350 -0.002 0.000 0.268 568 T C 1.734 176.458 174.700 0.040 0.000 1.037 568 T CA 1.397 63.518 62.100 0.036 0.000 1.144 568 T CB -0.289 68.593 68.868 0.024 0.000 0.864 568 T HN 0.286 nan 8.240 nan 0.000 0.444 569 E N -0.235 119.992 120.200 0.044 0.000 2.158 569 E HA -0.013 4.336 4.350 -0.002 0.000 0.191 569 E C 1.902 178.539 176.600 0.061 0.000 0.982 569 E CA 0.772 57.196 56.400 0.040 0.000 0.823 569 E CB -0.240 29.480 29.700 0.033 0.000 0.766 569 E HN 0.678 nan 8.360 nan 0.000 0.468 570 Y N 2.149 122.427 120.300 -0.036 0.000 2.163 570 Y HA -0.166 4.383 4.550 -0.002 0.000 0.288 570 Y C 1.879 177.770 175.900 -0.016 0.000 1.136 570 Y CA 1.686 59.767 58.100 -0.032 0.000 1.147 570 Y CB 0.106 38.534 38.460 -0.054 0.000 0.987 570 Y HN -0.066 nan 8.280 nan 0.000 0.509 571 E N -0.161 120.070 120.200 0.051 0.000 2.150 571 E HA -0.225 4.124 4.350 -0.002 0.000 0.193 571 E C 2.055 178.614 176.600 -0.067 0.000 0.985 571 E CA 1.149 57.532 56.400 -0.028 0.000 0.814 571 E CB -0.109 29.629 29.700 0.062 0.000 0.752 571 E HN 0.628 nan 8.360 nan 0.000 0.466 572 E N 0.521 120.697 120.200 -0.040 0.000 2.107 572 E HA -0.110 4.239 4.350 -0.002 0.000 0.191 572 E C 1.928 178.492 176.600 -0.060 0.000 0.982 572 E CA 0.774 57.153 56.400 -0.036 0.000 0.809 572 E CB 0.039 29.731 29.700 -0.014 0.000 0.756 572 E HN 0.196 nan 8.360 nan 0.000 0.459 573 A N 0.795 123.561 122.820 -0.090 0.000 2.016 573 A HA -0.151 4.168 4.320 -0.002 0.000 0.217 573 A C 2.050 179.545 177.584 -0.148 0.000 1.162 573 A CA 1.088 53.065 52.037 -0.100 0.000 0.662 573 A CB -0.326 18.619 19.000 -0.092 0.000 0.812 573 A HN 0.345 nan 8.150 nan 0.000 0.450 574 Q N 0.614 120.264 119.800 -0.248 0.000 1.965 574 Q HA -0.224 4.115 4.340 -0.002 0.000 0.200 574 Q C 1.267 177.195 176.000 -0.120 0.000 0.981 574 Q CA 1.867 57.512 55.803 -0.263 0.000 0.834 574 Q CB -0.231 28.274 28.738 -0.388 0.000 0.900 574 Q HN 0.700 nan 8.270 nan 0.000 0.426 575 D N -0.419 119.929 120.400 -0.087 0.000 2.378 575 D HA -0.030 4.609 4.640 -0.002 0.000 0.227 575 D C 1.199 177.484 176.300 -0.025 0.000 1.012 575 D CA 0.836 54.811 54.000 -0.041 0.000 0.905 575 D CB 0.010 40.794 40.800 -0.027 0.000 0.895 575 D HN 0.344 nan 8.370 nan 0.000 0.532 576 A N 0.506 123.307 122.820 -0.031 0.000 1.930 576 A HA 0.090 4.409 4.320 -0.002 0.000 0.215 576 A C 2.265 179.852 177.584 0.004 0.000 1.176 576 A CA 0.545 52.574 52.037 -0.012 0.000 0.632 576 A CB -0.456 18.534 19.000 -0.017 0.000 0.819 576 A HN 0.271 nan 8.150 nan 0.000 0.445 577 I N -0.503 120.069 120.570 0.003 0.000 2.233 577 I HA -0.150 4.019 4.170 -0.002 0.000 0.243 577 I C 2.287 178.415 176.117 0.018 0.000 1.093 577 I CA 0.810 62.129 61.300 0.032 0.000 1.380 577 I CB -0.364 37.671 38.000 0.058 0.000 1.067 577 I HN 0.110 nan 8.210 nan 0.000 0.413 578 V N 1.271 121.184 119.914 -0.002 0.000 2.287 578 V HA -0.333 3.786 4.120 -0.002 0.000 0.248 578 V C 2.539 178.647 176.094 0.023 0.000 1.053 578 V CA 2.058 64.359 62.300 0.001 0.000 1.027 578 V CB -0.741 31.077 31.823 -0.008 0.000 0.646 578 V HN 0.417 nan 8.190 nan 0.000 0.447 579 K N -0.164 120.248 120.400 0.020 0.000 2.147 579 K HA -0.232 4.087 4.320 -0.002 0.000 0.205 579 K C 2.190 178.817 176.600 0.044 0.000 1.049 579 K CA 1.775 58.080 56.287 0.030 0.000 0.936 579 K CB -0.063 32.448 32.500 0.017 0.000 0.722 579 K HN 0.580 nan 8.250 nan 0.000 0.446 580 E N 0.287 120.512 120.200 0.041 0.000 2.216 580 E HA -0.085 4.264 4.350 -0.002 0.000 0.192 580 E C 1.802 178.442 176.600 0.067 0.000 0.988 580 E CA 0.478 56.909 56.400 0.051 0.000 0.834 580 E CB 0.109 29.839 29.700 0.050 0.000 0.772 580 E HN 0.335 nan 8.360 nan 0.000 0.479 581 I N 0.237 120.844 120.570 0.062 0.000 2.439 581 I HA -0.207 3.962 4.170 -0.002 0.000 0.251 581 I C 2.128 178.319 176.117 0.123 0.000 1.139 581 I CA 0.420 61.764 61.300 0.074 0.000 1.438 581 I CB 0.047 38.061 38.000 0.023 0.000 1.085 581 I HN 0.047 nan 8.210 nan 0.000 0.427 582 V N 1.281 121.270 119.914 0.124 0.000 2.407 582 V HA -0.251 3.868 4.120 -0.002 0.000 0.248 582 V C 1.987 178.170 176.094 0.148 0.000 1.055 582 V CA 1.813 64.222 62.300 0.183 0.000 1.049 582 V CB -0.825 31.096 31.823 0.164 0.000 0.662 582 V HN 0.462 nan 8.190 nan 0.000 0.455 583 N N 0.016 118.777 118.700 0.101 0.000 2.331 583 N HA 0.008 4.747 4.740 -0.002 0.000 0.180 583 N C 1.642 177.190 175.510 0.064 0.000 1.019 583 N CA 1.137 54.229 53.050 0.071 0.000 0.881 583 N CB -0.225 38.293 38.487 0.052 0.000 0.972 583 N HN 0.459 nan 8.380 nan 0.000 0.435 584 I N 0.261 120.892 120.570 0.102 0.000 2.333 584 I HA -0.164 4.004 4.170 -0.002 0.000 0.246 584 I C 2.059 178.295 176.117 0.198 0.000 1.106 584 I CA 0.845 62.237 61.300 0.153 0.000 1.411 584 I CB -0.234 37.892 38.000 0.211 0.000 1.082 584 I HN 0.125 nan 8.210 nan 0.000 0.420 585 S N 0.230 116.011 115.700 0.135 0.000 2.428 585 S HA -0.114 4.355 4.470 -0.002 0.000 0.230 585 S C 1.926 176.278 174.600 -0.414 0.000 1.014 585 S CA 0.947 59.049 58.200 -0.163 0.000 0.957 585 S CB -0.615 62.421 63.200 -0.273 0.000 0.784 585 S HN 0.503 nan 8.310 nan 0.000 0.499 586 S N 0.561 116.157 115.700 -0.173 0.000 2.603 586 S HA 0.293 4.762 4.470 -0.002 0.000 0.220 586 S C 1.623 176.182 174.600 -0.069 0.000 0.967 586 S CA 0.202 58.360 58.200 -0.069 0.000 0.920 586 S CB -0.370 62.885 63.200 0.092 0.000 0.773 586 S HN 0.598 nan 8.310 nan 0.000 0.529 587 G N -0.196 108.545 108.800 -0.099 0.000 2.744 587 G HA2 0.104 4.063 3.960 -0.002 0.000 0.211 587 G HA3 0.104 4.063 3.960 -0.002 0.000 0.211 587 G C 0.443 175.149 174.900 -0.323 0.000 1.146 587 G CA -0.150 44.836 45.100 -0.191 0.000 0.787 587 G HN 0.599 nan 8.290 nan 0.000 0.534 588 Y N 0.812 120.967 120.300 -0.242 0.000 2.718 588 Y HA 0.283 4.832 4.550 -0.001 0.000 0.322 588 Y C 1.916 177.707 175.900 -0.182 0.000 1.122 588 Y CA -0.500 57.438 58.100 -0.269 0.000 1.348 588 Y CB 0.530 38.759 38.460 -0.383 0.000 1.174 588 Y HN -0.008 nan 8.280 nan 0.000 0.523 589 V N -0.495 119.392 119.914 -0.044 0.000 2.427 589 V HA -0.204 3.915 4.120 -0.002 0.000 0.248 589 V C 2.044 178.146 176.094 0.012 0.000 1.051 589 V CA 1.613 63.916 62.300 0.006 0.000 1.048 589 V CB -0.063 31.765 31.823 0.009 0.000 0.666 589 V HN 0.419 nan 8.190 nan 0.000 0.456 590 E N 0.469 120.648 120.200 -0.035 0.000 2.031 590 E HA -0.139 4.210 4.350 -0.002 0.000 0.193 590 E C -0.160 176.433 176.600 -0.012 0.000 0.994 590 E CA 1.773 58.151 56.400 -0.036 0.000 0.800 590 E CB -1.657 27.999 29.700 -0.074 0.000 0.752 590 E HN 0.539 nan 8.360 nan 0.000 0.447 591 P HA 0.002 nan 4.420 nan 0.000 0.249 591 P C 1.238 178.691 177.300 0.256 0.000 1.241 591 P CA 0.581 63.669 63.100 -0.021 0.000 0.781 591 P CB -0.005 31.448 31.700 -0.412 0.000 1.088 592 M N -0.074 119.669 119.600 0.239 0.000 2.081 592 M HA -0.070 4.409 4.480 -0.002 0.000 0.261 592 M C 2.170 178.563 176.300 0.154 0.000 1.075 592 M CA 1.811 57.253 55.300 0.237 0.000 1.133 592 M CB -1.432 31.265 32.600 0.161 0.000 1.330 592 M HN 0.079 nan 8.290 nan 0.000 0.414 593 Q N -0.197 119.666 119.800 0.106 0.000 2.230 593 Q HA -0.099 4.240 4.340 -0.002 0.000 0.202 593 Q C 1.976 178.019 176.000 0.072 0.000 0.963 593 Q CA 1.901 57.749 55.803 0.076 0.000 0.866 593 Q CB -0.334 28.436 28.738 0.052 0.000 0.931 593 Q HN 0.689 nan 8.270 nan 0.000 0.452 594 T N -0.666 113.934 114.554 0.076 0.000 2.904 594 T HA -0.089 4.260 4.350 -0.002 0.000 0.267 594 T C 1.772 176.520 174.700 0.080 0.000 1.059 594 T CA 0.622 62.760 62.100 0.064 0.000 1.137 594 T CB -0.127 68.768 68.868 0.045 0.000 0.879 594 T HN 0.131 nan 8.240 nan 0.000 0.467 595 L N 2.073 123.372 121.223 0.127 0.000 2.109 595 L HA 0.159 4.498 4.340 -0.002 0.000 0.207 595 L C 2.264 179.189 176.870 0.090 0.000 1.086 595 L CA 1.563 56.487 54.840 0.139 0.000 0.760 595 L CB -1.238 40.958 42.059 0.229 0.000 0.910 595 L HN 0.230 nan 8.230 nan 0.000 0.437 596 N N 0.217 118.968 118.700 0.085 0.000 2.043 596 N HA -0.239 4.500 4.740 -0.002 0.000 0.193 596 N C 1.420 176.952 175.510 0.037 0.000 1.037 596 N CA 2.046 55.131 53.050 0.059 0.000 0.851 596 N CB -0.232 38.291 38.487 0.060 0.000 1.027 596 N HN 0.399 nan 8.380 nan 0.000 0.422 597 D N 0.159 120.585 120.400 0.042 0.000 2.149 597 D HA -0.099 4.540 4.640 -0.002 0.000 0.198 597 D C 2.109 178.430 176.300 0.035 0.000 0.990 597 D CA 0.664 54.687 54.000 0.038 0.000 0.839 597 D CB -0.327 40.502 40.800 0.047 0.000 0.948 597 D HN 0.139 nan 8.370 nan 0.000 0.460 598 V N 0.801 120.731 119.914 0.027 0.000 2.307 598 V HA -0.178 3.941 4.120 -0.002 0.000 0.245 598 V C 2.615 178.741 176.094 0.054 0.000 1.045 598 V CA 1.048 63.354 62.300 0.010 0.000 1.024 598 V CB -0.446 31.379 31.823 0.003 0.000 0.651 598 V HN 0.180 nan 8.190 nan 0.000 0.449 599 L N 0.157 121.390 121.223 0.016 0.000 2.083 599 L HA -0.141 4.198 4.340 -0.002 0.000 0.209 599 L C 2.685 179.532 176.870 -0.039 0.000 1.083 599 L CA 1.457 56.266 54.840 -0.052 0.000 0.752 599 L CB -0.738 41.252 42.059 -0.115 0.000 0.899 599 L HN 0.362 nan 8.230 nan 0.000 0.433 600 A N -0.636 122.174 122.820 -0.017 0.000 1.930 600 A HA -0.217 4.102 4.320 -0.002 0.000 0.217 600 A C 2.235 179.807 177.584 -0.020 0.000 1.175 600 A CA 1.338 53.346 52.037 -0.048 0.000 0.627 600 A CB -0.333 18.635 19.000 -0.054 0.000 0.815 600 A HN 0.463 nan 8.150 nan 0.000 0.443 601 Q N -0.867 118.993 119.800 0.100 0.000 2.123 601 Q HA -0.025 4.314 4.340 -0.002 0.000 0.199 601 Q C 2.150 178.348 176.000 0.331 0.000 0.966 601 Q CA 1.151 57.119 55.803 0.276 0.000 0.845 601 Q CB -0.227 28.693 28.738 0.303 0.000 0.907 601 Q HN 0.720 nan 8.270 nan 0.000 0.439 602 L N 0.885 122.295 121.223 0.313 0.000 2.017 602 L HA -0.230 4.109 4.340 -0.002 0.000 0.208 602 L C 2.118 178.899 176.870 -0.148 0.000 1.073 602 L CA 1.596 56.514 54.840 0.130 0.000 0.745 602 L CB -0.202 41.920 42.059 0.105 0.000 0.894 602 L HN 0.215 nan 8.230 nan 0.000 0.432 603 D N -0.280 120.039 120.400 -0.135 0.000 2.117 603 D HA -0.185 4.454 4.640 -0.002 0.000 0.197 603 D C 2.078 178.242 176.300 -0.226 0.000 0.987 603 D CA 1.435 55.313 54.000 -0.203 0.000 0.829 603 D CB 0.130 40.825 40.800 -0.176 0.000 0.961 603 D HN 0.442 nan 8.370 nan 0.000 0.460 604 A N -0.073 122.642 122.820 -0.174 0.000 1.898 604 A HA -0.087 4.232 4.320 -0.002 0.000 0.216 604 A C 2.605 180.139 177.584 -0.084 0.000 1.181 604 A CA 1.469 53.370 52.037 -0.227 0.000 0.620 604 A CB -0.746 18.086 19.000 -0.279 0.000 0.819 604 A HN 0.197 nan 8.150 nan 0.000 0.442 605 V N -0.349 119.627 119.914 0.103 0.000 2.295 605 V HA -0.219 3.900 4.120 -0.002 0.000 0.246 605 V C 2.584 178.608 176.094 -0.118 0.000 1.049 605 V CA 1.982 64.372 62.300 0.150 0.000 1.024 605 V CB -0.657 31.221 31.823 0.091 0.000 0.648 605 V HN 0.371 nan 8.190 nan 0.000 0.447 606 V N 1.019 120.680 119.914 -0.422 0.000 2.407 606 V HA -0.233 3.886 4.120 -0.002 0.000 0.248 606 V C 2.704 178.675 176.094 -0.205 0.000 1.055 606 V CA 2.234 64.250 62.300 -0.472 0.000 1.049 606 V CB -0.840 30.653 31.823 -0.551 0.000 0.662 606 V HN 0.782 nan 8.190 nan 0.000 0.455 607 S N 0.036 115.591 115.700 -0.242 0.000 2.399 607 S HA -0.185 4.284 4.470 -0.002 0.000 0.231 607 S C 1.859 176.385 174.600 -0.123 0.000 1.022 607 S CA 1.474 59.541 58.200 -0.222 0.000 0.983 607 S CB -0.708 62.275 63.200 -0.362 0.000 0.803 607 S HN 0.457 nan 8.310 nan 0.000 0.480 608 F N 2.372 122.351 119.950 0.049 0.000 2.259 608 F HA 0.325 4.851 4.527 -0.002 0.000 0.298 608 F C 2.757 178.578 175.800 0.034 0.000 1.088 608 F CA 0.157 58.210 58.000 0.089 0.000 1.358 608 F CB -0.947 38.143 39.000 0.151 0.000 1.040 608 F HN 0.336 nan 8.300 nan 0.000 0.505 609 A N -1.351 121.562 122.820 0.155 0.000 2.016 609 A HA -0.168 4.151 4.320 -0.002 0.000 0.217 609 A C 1.876 179.456 177.584 -0.007 0.000 1.162 609 A CA 1.395 53.438 52.037 0.010 0.000 0.662 609 A CB -1.016 18.013 19.000 0.049 0.000 0.812 609 A HN 0.465 nan 8.150 nan 0.000 0.450 610 H N -0.828 118.203 119.070 -0.065 0.000 2.436 610 H HA 0.047 4.602 4.556 -0.002 0.000 0.294 610 H C 1.656 176.933 175.328 -0.085 0.000 1.048 610 H CA 1.723 57.722 56.048 -0.081 0.000 1.353 610 H CB 0.175 29.882 29.762 -0.092 0.000 1.414 610 H HN 0.145 nan 8.280 nan 0.000 0.536 611 V N -0.092 119.795 119.914 -0.045 0.000 2.379 611 V HA -0.152 3.967 4.120 -0.002 0.000 0.243 611 V C 2.418 178.361 176.094 -0.252 0.000 1.035 611 V CA 1.501 63.745 62.300 -0.092 0.000 1.035 611 V CB -0.394 31.486 31.823 0.096 0.000 0.673 611 V HN 0.656 nan 8.190 nan 0.000 0.457 612 S N -0.104 115.492 115.700 -0.173 0.000 2.500 612 S HA -0.187 4.282 4.470 -0.002 0.000 0.239 612 S C 1.599 175.956 174.600 -0.406 0.000 0.989 612 S CA 1.770 59.761 58.200 -0.347 0.000 0.951 612 S CB -0.674 62.492 63.200 -0.056 0.000 0.759 612 S HN 0.744 nan 8.310 nan 0.000 0.523 613 N N 0.608 119.113 118.700 -0.326 0.000 2.463 613 N HA 0.105 4.844 4.740 -0.002 0.000 0.183 613 N C 1.728 177.072 175.510 -0.276 0.000 1.064 613 N CA 0.582 53.471 53.050 -0.268 0.000 0.879 613 N CB -0.074 38.288 38.487 -0.208 0.000 1.148 613 N HN 0.479 nan 8.380 nan 0.000 0.451 614 G N 0.382 108.982 108.800 -0.334 0.000 2.712 614 G HA2 0.259 4.218 3.960 -0.002 0.000 0.212 614 G HA3 0.259 4.218 3.960 -0.002 0.000 0.212 614 G C 0.394 175.138 174.900 -0.261 0.000 1.142 614 G CA 0.127 45.046 45.100 -0.302 0.000 0.789 614 G HN 0.359 nan 8.290 nan 0.000 0.535 615 A N 1.290 123.899 122.820 -0.352 0.000 2.407 615 A HA 0.544 4.863 4.320 -0.002 0.000 0.248 615 A C -1.988 175.464 177.584 -0.220 0.000 1.082 615 A CA -1.121 50.713 52.037 -0.338 0.000 0.785 615 A CB 0.211 18.792 19.000 -0.699 0.000 1.020 615 A HN 0.136 nan 8.150 nan 0.000 0.489 616 P HA 0.213 nan 4.420 nan 0.000 0.264 616 P C -0.408 176.867 177.300 -0.041 0.000 1.229 616 P CA 0.516 63.579 63.100 -0.062 0.000 0.780 616 P CB 0.155 31.843 31.700 -0.021 0.000 0.808 617 V N 4.017 123.906 119.914 -0.043 0.000 4.394 617 V HA -0.171 3.948 4.120 -0.002 0.000 0.413 617 V C -2.060 174.018 176.094 -0.026 0.000 0.674 617 V CA -0.632 61.661 62.300 -0.012 0.000 1.706 617 V CB -1.840 30.003 31.823 0.033 0.000 2.080 617 V HN 0.598 nan 8.190 nan 0.000 0.482 618 P HA -0.037 nan 4.420 nan 0.000 0.265 618 P C 0.105 177.431 177.300 0.043 0.000 1.167 618 P CA 0.592 63.624 63.100 -0.114 0.000 0.760 618 P CB 0.307 31.962 31.700 -0.074 0.000 0.783 619 Y N 0.181 120.508 120.300 0.044 0.000 2.397 619 Y HA 0.261 4.810 4.550 -0.002 0.000 0.335 619 Y C 1.014 177.076 175.900 0.269 0.000 1.213 619 Y CA -0.983 57.191 58.100 0.123 0.000 1.391 619 Y CB 0.535 39.084 38.460 0.147 0.000 1.293 619 Y HN 0.034 nan 8.280 nan 0.000 0.557 620 V N 3.588 123.739 119.914 0.394 0.000 2.555 620 V HA 0.312 4.431 4.120 -0.002 0.000 0.302 620 V C -0.293 175.816 176.094 0.026 0.000 1.038 620 V CA -1.284 61.193 62.300 0.295 0.000 0.887 620 V CB 1.691 33.599 31.823 0.142 0.000 0.991 620 V HN 0.751 nan 8.190 nan 0.000 0.434 621 R N 4.964 125.242 120.500 -0.370 0.000 2.489 621 R HA 0.369 4.708 4.340 -0.002 0.000 0.287 621 R C -2.558 173.537 176.300 -0.342 0.000 1.053 621 R CA -0.987 54.655 56.100 -0.763 0.000 1.036 621 R CB 0.130 29.696 30.300 -1.223 0.000 0.966 621 R HN 0.423 nan 8.270 nan 0.000 0.432 622 P HA 0.181 nan 4.420 nan 0.000 0.284 622 P C -0.946 176.254 177.300 -0.168 0.000 1.258 622 P CA -0.622 62.365 63.100 -0.188 0.000 0.824 622 P CB 1.493 33.084 31.700 -0.180 0.000 1.038 623 A N 3.274 126.021 122.820 -0.121 0.000 2.354 623 A HA 0.511 4.830 4.320 -0.002 0.000 0.269 623 A C 0.182 177.704 177.584 -0.104 0.000 1.109 623 A CA -0.584 51.393 52.037 -0.099 0.000 0.800 623 A CB -0.297 18.662 19.000 -0.069 0.000 1.045 623 A HN 0.502 nan 8.150 nan 0.000 0.489 624 I N 2.944 123.455 120.570 -0.098 0.000 2.378 624 I HA 0.296 4.465 4.170 -0.002 0.000 0.291 624 I C -0.293 175.777 176.117 -0.078 0.000 0.992 624 I CA -0.173 61.067 61.300 -0.099 0.000 1.154 624 I CB 1.312 39.247 38.000 -0.108 0.000 1.315 624 I HN 0.540 nan 8.210 nan 0.000 0.448 625 L N 4.858 126.034 121.223 -0.077 0.000 2.416 625 L HA 0.429 4.768 4.340 -0.002 0.000 0.263 625 L C 0.563 177.400 176.870 -0.054 0.000 1.065 625 L CA -0.894 53.912 54.840 -0.056 0.000 0.798 625 L CB 0.702 42.734 42.059 -0.045 0.000 1.267 625 L HN 0.539 nan 8.230 nan 0.000 0.467 626 E N 0.389 120.567 120.200 -0.037 0.000 2.422 626 E HA -0.039 4.310 4.350 -0.002 0.000 0.260 626 E C -0.302 176.279 176.600 -0.032 0.000 1.108 626 E CA -0.119 56.260 56.400 -0.034 0.000 0.943 626 E CB 0.399 30.085 29.700 -0.023 0.000 0.961 626 E HN 0.265 nan 8.360 nan 0.000 0.443 627 K N 1.257 121.636 120.400 -0.035 0.000 2.255 627 K HA -0.049 4.270 4.320 -0.002 0.000 0.269 627 K C 0.176 176.774 176.600 -0.003 0.000 1.158 627 K CA 0.787 57.055 56.287 -0.032 0.000 1.155 627 K CB -0.860 31.616 32.500 -0.040 0.000 0.889 627 K HN 0.764 nan 8.250 nan 0.000 0.440 628 G N 3.389 112.201 108.800 0.020 0.000 2.298 628 G HA2 -0.294 3.665 3.960 -0.002 0.000 0.287 628 G HA3 -0.294 3.665 3.960 -0.002 0.000 0.287 628 G C 0.353 175.309 174.900 0.093 0.000 1.075 628 G CA 0.535 45.694 45.100 0.097 0.000 0.960 628 G HN 0.797 nan 8.290 nan 0.000 0.502 629 Q N -0.233 119.614 119.800 0.079 0.000 2.137 629 Q HA 0.316 4.655 4.340 -0.002 0.000 0.198 629 Q C 1.807 177.866 176.000 0.097 0.000 0.960 629 Q CA 1.685 57.524 55.803 0.059 0.000 0.847 629 Q CB -0.032 28.723 28.738 0.029 0.000 0.915 629 Q HN 1.870 nan 8.270 nan 0.000 0.448 630 G N 0.623 109.552 108.800 0.215 0.000 2.462 630 G HA2 -0.152 3.807 3.960 -0.002 0.000 0.124 630 G HA3 -0.152 3.807 3.960 -0.002 0.000 0.124 630 G C -0.614 174.452 174.900 0.277 0.000 1.062 630 G CA -0.074 45.192 45.100 0.277 0.000 0.764 630 G HN 0.229 nan 8.290 nan 0.000 0.485 631 R N 0.100 120.763 120.500 0.271 0.000 2.658 631 R HA 0.486 4.825 4.340 -0.002 0.000 0.287 631 R C -1.292 175.000 176.300 -0.012 0.000 1.209 631 R CA -0.811 55.362 56.100 0.121 0.000 1.046 631 R CB 0.639 30.955 30.300 0.027 0.000 1.247 631 R HN 0.205 nan 8.270 nan 0.000 0.405 632 I N 6.864 127.426 120.570 -0.013 0.000 2.437 632 I HA 0.377 4.546 4.170 -0.002 0.000 0.279 632 I C -0.364 175.742 176.117 -0.019 0.000 1.028 632 I CA -0.589 60.643 61.300 -0.112 0.000 1.142 632 I CB 1.544 39.349 38.000 -0.325 0.000 1.266 632 I HN 0.428 nan 8.210 nan 0.000 0.461 633 I N 6.969 127.509 120.570 -0.051 0.000 2.378 633 I HA 0.485 4.654 4.170 -0.002 0.000 0.291 633 I C -0.604 175.524 176.117 0.019 0.000 0.992 633 I CA -0.584 60.711 61.300 -0.007 0.000 1.154 633 I CB 1.712 39.710 38.000 -0.004 0.000 1.315 633 I HN 0.335 nan 8.210 nan 0.000 0.448 634 L N 6.632 127.893 121.223 0.063 0.000 2.381 634 L HA 0.526 4.865 4.340 -0.002 0.000 0.274 634 L C -0.675 176.245 176.870 0.083 0.000 0.988 634 L CA -0.934 53.934 54.840 0.048 0.000 0.824 634 L CB 1.816 43.891 42.059 0.027 0.000 1.263 634 L HN 0.406 nan 8.230 nan 0.000 0.410 635 K N 3.206 123.646 120.400 0.067 0.000 2.339 635 K HA 0.596 4.915 4.320 -0.002 0.000 0.264 635 K C 0.106 176.752 176.600 0.077 0.000 0.986 635 K CA -0.472 55.861 56.287 0.077 0.000 0.866 635 K CB 1.838 34.378 32.500 0.066 0.000 1.103 635 K HN 0.760 nan 8.250 nan 0.000 0.441 636 A N 1.827 124.703 122.820 0.092 0.000 2.546 636 A HA -0.168 4.151 4.320 -0.002 0.000 0.295 636 A C 0.308 177.963 177.584 0.119 0.000 1.455 636 A CA 0.716 52.816 52.037 0.105 0.000 0.730 636 A CB -2.306 16.748 19.000 0.091 0.000 1.111 636 A HN 0.726 nan 8.150 nan 0.000 0.411 637 S N 0.244 116.027 115.700 0.138 0.000 2.548 637 S HA 0.748 5.217 4.470 -0.002 0.000 0.277 637 S C 0.101 174.817 174.600 0.194 0.000 1.315 637 S CA -0.345 57.927 58.200 0.120 0.000 1.050 637 S CB 1.283 64.542 63.200 0.099 0.000 0.918 637 S HN 0.766 nan 8.310 nan 0.000 0.497 638 R N 0.914 121.465 120.500 0.084 0.000 2.686 638 R HA 0.323 4.662 4.340 -0.002 0.000 0.283 638 R C -0.846 175.313 176.300 -0.234 0.000 0.978 638 R CA -0.792 55.297 56.100 -0.018 0.000 0.897 638 R CB 1.119 31.367 30.300 -0.087 0.000 1.192 638 R HN 0.766 nan 8.270 nan 0.000 0.457 639 H N 2.281 120.986 119.070 -0.608 0.000 3.089 639 H HA 0.109 4.664 4.556 -0.002 0.000 0.262 639 H C 0.802 175.867 175.328 -0.439 0.000 1.160 639 H CA 0.194 56.000 56.048 -0.404 0.000 1.482 639 H CB 1.044 30.654 29.762 -0.253 0.000 1.511 639 H HN 0.874 nan 8.280 nan 0.000 0.483 640 A N 3.952 126.604 122.820 -0.280 0.000 2.042 640 A HA -0.231 4.088 4.320 -0.002 0.000 0.222 640 A C 2.361 179.940 177.584 -0.007 0.000 1.167 640 A CA 1.906 53.862 52.037 -0.135 0.000 0.649 640 A CB -0.619 18.260 19.000 -0.203 0.000 0.809 640 A HN 0.770 nan 8.150 nan 0.000 0.457 641 C N -2.349 117.023 119.300 0.119 0.000 2.518 641 C HA 0.130 4.589 4.460 -0.002 0.000 0.283 641 C C 2.564 177.588 174.990 0.057 0.000 1.351 641 C CA 0.567 59.663 59.018 0.130 0.000 1.745 641 C CB -0.731 27.122 27.740 0.188 0.000 2.107 641 C HN 0.430 nan 8.230 nan 0.000 0.502 642 V N 1.270 121.195 119.914 0.019 0.000 2.719 642 V HA -0.147 3.972 4.120 -0.002 0.000 0.252 642 V C 2.421 178.472 176.094 -0.072 0.000 1.065 642 V CA 1.802 64.039 62.300 -0.105 0.000 1.086 642 V CB -0.734 30.978 31.823 -0.186 0.000 0.700 642 V HN 0.617 nan 8.190 nan 0.000 0.467 643 E N 0.530 120.583 120.200 -0.246 0.000 2.058 643 E HA -0.199 4.150 4.350 -0.002 0.000 0.194 643 E C 2.090 178.675 176.600 -0.026 0.000 0.997 643 E CA 1.901 58.179 56.400 -0.203 0.000 0.801 643 E CB 0.036 29.556 29.700 -0.300 0.000 0.746 643 E HN 0.454 nan 8.360 nan 0.000 0.450 644 V N 1.054 120.954 119.914 -0.024 0.000 2.649 644 V HA -0.128 3.991 4.120 -0.002 0.000 0.248 644 V C 1.475 177.570 176.094 0.003 0.000 1.054 644 V CA 0.809 63.106 62.300 -0.005 0.000 1.073 644 V CB -0.503 31.317 31.823 -0.005 0.000 0.699 644 V HN 0.356 nan 8.190 nan 0.000 0.463 645 Q N 1.279 121.080 119.800 0.001 0.000 2.304 645 Q HA -0.106 4.233 4.340 -0.002 0.000 0.315 645 Q C 0.758 176.762 176.000 0.008 0.000 1.075 645 Q CA 0.814 56.619 55.803 0.003 0.000 0.988 645 Q CB 0.036 28.771 28.738 -0.005 0.000 1.146 645 Q HN 0.535 nan 8.270 nan 0.000 0.383 646 D N 2.670 123.073 120.400 0.005 0.000 3.287 646 D HA -0.290 4.349 4.640 -0.002 0.000 0.177 646 D C -0.923 175.382 176.300 0.009 0.000 1.205 646 D CA 1.983 55.986 54.000 0.006 0.000 1.054 646 D CB -0.276 40.526 40.800 0.004 0.000 0.550 646 D HN 0.816 nan 8.370 nan 0.000 0.595 647 E N 0.170 120.375 120.200 0.010 0.000 2.731 647 E HA 0.444 4.793 4.350 -0.002 0.000 0.220 647 E C -0.614 175.994 176.600 0.013 0.000 1.087 647 E CA -0.144 56.263 56.400 0.012 0.000 1.020 647 E CB 0.303 30.009 29.700 0.011 0.000 1.339 647 E HN 0.221 nan 8.360 nan 0.000 0.444 648 I N 1.279 121.861 120.570 0.020 0.000 2.406 648 I HA 0.378 4.547 4.170 -0.002 0.000 0.290 648 I C 0.026 176.170 176.117 0.045 0.000 0.999 648 I CA -0.954 60.358 61.300 0.019 0.000 1.124 648 I CB 1.874 39.892 38.000 0.031 0.000 1.289 648 I HN 0.243 nan 8.210 nan 0.000 0.441 649 A N 6.814 129.648 122.820 0.023 0.000 2.621 649 A HA 0.352 4.671 4.320 -0.002 0.000 0.329 649 A C -0.532 177.072 177.584 0.035 0.000 1.458 649 A CA -0.281 51.782 52.037 0.042 0.000 1.052 649 A CB -0.402 18.614 19.000 0.027 0.000 1.142 649 A HN 0.598 nan 8.150 nan 0.000 0.523 650 F N 2.972 122.895 119.950 -0.046 0.000 2.543 650 F HA 0.304 4.830 4.527 -0.002 0.000 0.375 650 F C 0.286 176.075 175.800 -0.019 0.000 1.075 650 F CA 0.026 57.991 58.000 -0.058 0.000 1.225 650 F CB 0.366 39.350 39.000 -0.026 0.000 1.099 650 F HN 0.453 nan 8.300 nan 0.000 0.561 651 I N 8.935 129.251 120.570 -0.424 0.000 2.304 651 I HA 0.242 4.411 4.170 -0.002 0.000 0.291 651 I C -1.928 174.113 176.117 -0.128 0.000 1.018 651 I CA -2.037 59.152 61.300 -0.186 0.000 1.260 651 I CB 0.689 38.603 38.000 -0.144 0.000 1.390 651 I HN 0.422 nan 8.210 nan 0.000 0.475 652 P HA 0.224 nan 4.420 nan 0.000 0.274 652 P C -1.005 176.365 177.300 0.116 0.000 1.246 652 P CA -0.292 62.925 63.100 0.196 0.000 0.795 652 P CB 1.088 32.892 31.700 0.175 0.000 1.006 653 N N 0.120 118.923 118.700 0.171 0.000 2.732 653 N HA 0.282 5.021 4.740 -0.002 0.000 0.259 653 N C -1.432 174.192 175.510 0.191 0.000 1.402 653 N CA -0.382 52.749 53.050 0.135 0.000 0.829 653 N CB 1.388 39.930 38.487 0.091 0.000 1.495 653 N HN 0.323 nan 8.380 nan 0.000 0.511 654 D N 0.378 120.874 120.400 0.160 0.000 2.192 654 D HA 0.438 5.077 4.640 -0.002 0.000 0.246 654 D C -0.545 175.901 176.300 0.244 0.000 1.042 654 D CA -0.149 53.954 54.000 0.170 0.000 0.847 654 D CB 1.993 42.859 40.800 0.110 0.000 1.186 654 D HN 0.018 nan 8.370 nan 0.000 0.461 655 V N 2.946 122.982 119.914 0.204 0.000 2.448 655 V HA 0.306 4.425 4.120 -0.002 0.000 0.295 655 V C -1.048 175.153 176.094 0.179 0.000 1.025 655 V CA -0.836 61.558 62.300 0.156 0.000 0.859 655 V CB 1.211 33.078 31.823 0.074 0.000 0.988 655 V HN 0.440 nan 8.190 nan 0.000 0.431 656 Y N 5.382 125.637 120.300 -0.075 0.000 2.338 656 Y HA 0.737 5.286 4.550 -0.001 0.000 0.333 656 Y C -1.325 174.494 175.900 -0.136 0.000 0.968 656 Y CA -1.015 57.075 58.100 -0.017 0.000 1.123 656 Y CB 1.557 40.028 38.460 0.019 0.000 1.165 656 Y HN 0.545 nan 8.280 nan 0.000 0.452 657 F N 4.077 123.906 119.950 -0.202 0.000 2.561 657 F HA 0.508 5.035 4.527 -0.001 0.000 0.313 657 F C -0.646 175.065 175.800 -0.148 0.000 1.126 657 F CA -0.731 57.276 58.000 0.011 0.000 0.918 657 F CB 2.265 41.392 39.000 0.212 0.000 1.199 657 F HN 0.451 nan 8.300 nan 0.000 0.444 658 E N 2.887 123.172 120.200 0.141 0.000 2.451 658 E HA 0.159 4.508 4.350 -0.002 0.000 0.295 658 E C -1.477 175.172 176.600 0.082 0.000 0.966 658 E CA -0.901 55.538 56.400 0.066 0.000 0.808 658 E CB 1.665 31.324 29.700 -0.069 0.000 1.242 658 E HN 0.596 nan 8.360 nan 0.000 0.412 659 K N 3.028 123.454 120.400 0.043 0.000 2.489 659 K HA -0.058 4.261 4.320 -0.002 0.000 0.278 659 K C -0.465 176.140 176.600 0.009 0.000 1.000 659 K CA 1.215 57.493 56.287 -0.014 0.000 1.012 659 K CB 0.280 32.760 32.500 -0.034 0.000 0.903 659 K HN 0.640 nan 8.250 nan 0.000 0.485 660 D N 1.632 122.029 120.400 -0.004 0.000 2.229 660 D HA -0.191 4.448 4.640 -0.002 0.000 0.162 660 D C 0.535 176.851 176.300 0.026 0.000 1.436 660 D CA 1.939 55.942 54.000 0.005 0.000 1.324 660 D CB -0.584 40.219 40.800 0.005 0.000 1.258 660 D HN 0.543 nan 8.370 nan 0.000 0.477 661 K N -0.345 120.090 120.400 0.059 0.000 2.107 661 K HA 0.212 4.531 4.320 -0.002 0.000 0.211 661 K C 0.480 177.133 176.600 0.088 0.000 1.024 661 K CA 0.994 57.338 56.287 0.095 0.000 0.953 661 K CB 0.251 32.859 32.500 0.181 0.000 0.831 661 K HN 0.045 nan 8.250 nan 0.000 0.454 662 Q N -0.021 119.855 119.800 0.128 0.000 2.309 662 Q HA 0.303 4.642 4.340 -0.002 0.000 0.270 662 Q C -0.153 175.911 176.000 0.106 0.000 1.023 662 Q CA -0.046 55.796 55.803 0.065 0.000 0.758 662 Q CB 2.044 30.893 28.738 0.185 0.000 1.247 662 Q HN 0.214 nan 8.270 nan 0.000 0.455 663 M N 0.759 120.413 119.600 0.089 0.000 2.180 663 M HA 0.282 4.761 4.480 -0.002 0.000 0.266 663 M C -0.351 176.184 176.300 0.390 0.000 1.200 663 M CA 0.338 55.799 55.300 0.269 0.000 1.101 663 M CB 0.706 33.359 32.600 0.089 0.000 1.769 663 M HN 0.429 nan 8.290 nan 0.000 0.609 664 F N 1.858 121.830 119.950 0.037 0.000 2.493 664 F HA 0.436 4.962 4.527 -0.002 0.000 0.329 664 F C -0.463 175.284 175.800 -0.089 0.000 1.126 664 F CA -0.560 57.492 58.000 0.086 0.000 0.937 664 F CB 1.012 40.030 39.000 0.030 0.000 1.146 664 F HN 0.032 nan 8.300 nan 0.000 0.442 665 H N 7.361 126.434 119.070 0.005 0.000 2.589 665 H HA 0.439 4.994 4.556 -0.002 0.000 0.335 665 H C -0.649 174.746 175.328 0.112 0.000 1.019 665 H CA -0.551 55.546 56.048 0.081 0.000 1.213 665 H CB 2.087 31.866 29.762 0.029 0.000 1.472 665 H HN 0.485 nan 8.280 nan 0.000 0.508 666 I N 5.270 126.010 120.570 0.283 0.000 2.321 666 I HA 0.233 4.402 4.170 -0.002 0.000 0.291 666 I C 0.153 176.359 176.117 0.149 0.000 0.998 666 I CA -0.367 61.064 61.300 0.218 0.000 1.227 666 I CB 1.124 39.265 38.000 0.234 0.000 1.368 666 I HN 0.326 nan 8.210 nan 0.000 0.466 667 I N 6.154 126.772 120.570 0.080 0.000 2.362 667 I HA 0.341 4.510 4.170 -0.002 0.000 0.289 667 I C -0.022 176.129 176.117 0.057 0.000 0.994 667 I CA -0.196 61.157 61.300 0.088 0.000 1.158 667 I CB 1.678 39.749 38.000 0.118 0.000 1.315 667 I HN 0.537 nan 8.210 nan 0.000 0.451 668 T N 3.425 118.039 114.554 0.100 0.000 2.949 668 T HA 0.905 5.254 4.350 -0.002 0.000 0.287 668 T C 0.067 174.841 174.700 0.124 0.000 1.034 668 T CA -0.820 61.346 62.100 0.111 0.000 1.018 668 T CB 2.196 71.147 68.868 0.138 0.000 1.135 668 T HN 0.972 nan 8.240 nan 0.000 0.532 669 G N 1.160 110.035 108.800 0.125 0.000 2.353 669 G HA2 0.401 4.360 3.960 -0.002 0.000 0.308 669 G HA3 0.401 4.360 3.960 -0.002 0.000 0.308 669 G C -3.303 171.657 174.900 0.100 0.000 1.418 669 G CA -1.036 44.138 45.100 0.123 0.000 0.966 669 G HN 0.660 nan 8.290 nan 0.000 0.638 670 P HA 0.213 nan 4.420 nan 0.000 0.277 670 P C -0.135 177.164 177.300 -0.002 0.000 1.271 670 P CA -0.665 62.461 63.100 0.043 0.000 0.795 670 P CB 0.741 32.405 31.700 -0.060 0.000 1.101 671 N N 0.434 119.135 118.700 0.002 0.000 2.479 671 N HA 0.028 4.767 4.740 -0.002 0.000 0.257 671 N C 0.708 176.208 175.510 -0.016 0.000 1.232 671 N CA -0.013 53.039 53.050 0.004 0.000 0.920 671 N CB -0.006 38.486 38.487 0.010 0.000 1.105 671 N HN 0.400 nan 8.380 nan 0.000 0.444 672 M N 1.049 120.656 119.600 0.012 0.000 2.612 672 M HA -0.229 4.250 4.480 -0.002 0.000 0.194 672 M C 0.907 177.220 176.300 0.021 0.000 0.530 672 M CA 0.665 55.985 55.300 0.033 0.000 0.548 672 M CB -1.497 31.123 32.600 0.033 0.000 2.013 672 M HN 0.801 nan 8.290 nan 0.000 0.711 673 G N -0.869 107.919 108.800 -0.020 0.000 2.539 673 G HA2 0.360 4.319 3.960 -0.002 0.000 0.215 673 G HA3 0.360 4.319 3.960 -0.002 0.000 0.215 673 G C 1.063 175.987 174.900 0.039 0.000 1.141 673 G CA 0.913 45.953 45.100 -0.101 0.000 0.806 673 G HN 1.096 nan 8.290 nan 0.000 0.533 674 G N -0.232 108.641 108.800 0.121 0.000 2.157 674 G HA2 -0.156 3.803 3.960 -0.002 0.000 0.118 674 G HA3 -0.156 3.803 3.960 -0.002 0.000 0.118 674 G C 0.903 175.883 174.900 0.133 0.000 1.032 674 G CA 0.443 45.642 45.100 0.165 0.000 0.697 674 G HN 0.429 nan 8.290 nan 0.000 0.495 675 K N 0.508 120.976 120.400 0.112 0.000 1.991 675 K HA 0.020 4.339 4.320 -0.002 0.000 0.207 675 K C 2.586 179.291 176.600 0.175 0.000 1.045 675 K CA 1.592 57.961 56.287 0.135 0.000 0.937 675 K CB -0.282 32.279 32.500 0.102 0.000 0.720 675 K HN 0.241 nan 8.250 nan 0.000 0.438 676 S N 0.914 116.697 115.700 0.139 0.000 2.370 676 S HA -0.136 4.333 4.470 -0.002 0.000 0.226 676 S C 2.096 176.787 174.600 0.152 0.000 1.033 676 S CA 1.876 60.156 58.200 0.132 0.000 1.011 676 S CB -0.480 62.780 63.200 0.101 0.000 0.852 676 S HN 0.349 nan 8.310 nan 0.000 0.457 677 T N 0.764 115.413 114.554 0.157 0.000 2.788 677 T HA -0.128 4.221 4.350 -0.002 0.000 0.268 677 T C 1.571 176.455 174.700 0.307 0.000 1.044 677 T CA 1.413 63.629 62.100 0.193 0.000 1.139 677 T CB -0.438 68.520 68.868 0.151 0.000 0.867 677 T HN 0.518 nan 8.240 nan 0.000 0.454 678 Y N 2.468 122.859 120.300 0.152 0.000 2.242 678 Y HA -0.012 4.538 4.550 -0.001 0.000 0.291 678 Y C 2.027 177.994 175.900 0.112 0.000 1.137 678 Y CA 0.713 58.895 58.100 0.136 0.000 1.181 678 Y CB -0.437 38.075 38.460 0.087 0.000 0.989 678 Y HN 0.367 nan 8.280 nan 0.000 0.527 679 I N -2.042 118.563 120.570 0.059 0.000 2.617 679 I HA -0.057 4.112 4.170 -0.002 0.000 0.256 679 I C 2.051 178.152 176.117 -0.026 0.000 1.167 679 I CA 1.037 62.317 61.300 -0.032 0.000 1.469 679 I CB -0.416 37.630 38.000 0.076 0.000 1.098 679 I HN -0.011 nan 8.210 nan 0.000 0.436 680 R N 1.560 122.093 120.500 0.056 0.000 2.093 680 R HA -0.073 4.266 4.340 -0.002 0.000 0.224 680 R C 2.467 178.753 176.300 -0.023 0.000 1.101 680 R CA 1.475 57.613 56.100 0.063 0.000 0.979 680 R CB -0.397 30.006 30.300 0.171 0.000 0.877 680 R HN 0.627 nan 8.270 nan 0.000 0.441 681 Q N 0.210 120.022 119.800 0.019 0.000 2.226 681 Q HA -0.080 4.259 4.340 -0.002 0.000 0.204 681 Q C 1.133 177.006 176.000 -0.212 0.000 0.975 681 Q CA 1.709 57.406 55.803 -0.177 0.000 0.866 681 Q CB -0.239 28.507 28.738 0.013 0.000 0.915 681 Q HN 0.093 nan 8.270 nan 0.000 0.440 682 T N 0.984 115.416 114.554 -0.203 0.000 2.701 682 T HA -0.074 4.275 4.350 -0.002 0.000 0.263 682 T C 1.903 176.476 174.700 -0.211 0.000 1.040 682 T CA 1.361 63.329 62.100 -0.221 0.000 1.147 682 T CB -0.728 67.994 68.868 -0.243 0.000 0.865 682 T HN 0.633 nan 8.240 nan 0.000 0.426 683 G N 1.089 109.780 108.800 -0.182 0.000 2.442 683 G HA2 -0.173 3.786 3.960 -0.002 0.000 0.219 683 G HA3 -0.173 3.786 3.960 -0.002 0.000 0.219 683 G C 1.700 176.492 174.900 -0.180 0.000 1.141 683 G CA 0.889 45.888 45.100 -0.167 0.000 0.763 683 G HN 0.423 nan 8.290 nan 0.000 0.554 684 V N 1.098 120.886 119.914 -0.210 0.000 2.261 684 V HA -0.151 3.968 4.120 -0.002 0.000 0.246 684 V C 2.773 178.720 176.094 -0.244 0.000 1.047 684 V CA 1.595 63.748 62.300 -0.244 0.000 1.015 684 V CB -0.440 31.165 31.823 -0.363 0.000 0.642 684 V HN 0.385 nan 8.190 nan 0.000 0.446 685 I N -0.273 120.143 120.570 -0.256 0.000 2.163 685 I HA -0.252 3.917 4.170 -0.002 0.000 0.243 685 I C 2.409 178.393 176.117 -0.223 0.000 1.085 685 I CA 1.419 62.572 61.300 -0.244 0.000 1.347 685 I CB -0.401 37.467 38.000 -0.220 0.000 1.044 685 I HN 0.157 nan 8.210 nan 0.000 0.408 686 V N 0.819 120.600 119.914 -0.222 0.000 2.287 686 V HA -0.313 3.806 4.120 -0.002 0.000 0.248 686 V C 2.333 178.309 176.094 -0.197 0.000 1.053 686 V CA 1.997 64.161 62.300 -0.227 0.000 1.027 686 V CB -0.477 31.190 31.823 -0.259 0.000 0.646 686 V HN 0.425 nan 8.190 nan 0.000 0.447 687 L N -1.204 119.912 121.223 -0.178 0.000 2.109 687 L HA -0.152 4.187 4.340 -0.002 0.000 0.207 687 L C 2.401 179.178 176.870 -0.156 0.000 1.086 687 L CA 1.565 56.318 54.840 -0.146 0.000 0.760 687 L CB -0.129 41.855 42.059 -0.125 0.000 0.910 687 L HN 0.266 nan 8.230 nan 0.000 0.437 688 M N -0.903 118.587 119.600 -0.184 0.000 2.213 688 M HA -0.177 4.302 4.480 -0.002 0.000 0.263 688 M C 2.248 178.419 176.300 -0.215 0.000 1.062 688 M CA 1.599 56.778 55.300 -0.202 0.000 1.105 688 M CB -0.407 32.053 32.600 -0.234 0.000 1.385 688 M HN 0.426 nan 8.290 nan 0.000 0.417 689 A N -0.269 122.428 122.820 -0.206 0.000 2.014 689 A HA -0.129 4.190 4.320 -0.002 0.000 0.218 689 A C 1.883 179.351 177.584 -0.194 0.000 1.163 689 A CA 1.125 53.040 52.037 -0.204 0.000 0.652 689 A CB -0.352 18.529 19.000 -0.198 0.000 0.808 689 A HN 0.572 nan 8.150 nan 0.000 0.449 690 Q N -0.947 118.748 119.800 -0.175 0.000 2.319 690 Q HA 0.279 4.618 4.340 -0.002 0.000 0.202 690 Q C 1.361 177.269 176.000 -0.154 0.000 0.896 690 Q CA 0.066 55.778 55.803 -0.152 0.000 0.942 690 Q CB 0.179 28.844 28.738 -0.121 0.000 1.083 690 Q HN 0.707 nan 8.270 nan 0.000 0.510 691 I N -0.314 120.147 120.570 -0.181 0.000 2.716 691 I HA 0.004 4.173 4.170 -0.002 0.000 0.259 691 I C 0.941 176.863 176.117 -0.325 0.000 1.172 691 I CA 0.781 61.966 61.300 -0.191 0.000 1.478 691 I CB 0.220 38.114 38.000 -0.176 0.000 1.104 691 I HN 0.292 nan 8.210 nan 0.000 0.439 692 G N 1.236 109.843 108.800 -0.321 0.000 2.427 692 G HA2 -0.183 3.776 3.960 -0.002 0.000 0.193 692 G HA3 -0.183 3.776 3.960 -0.002 0.000 0.193 692 G C -0.441 174.250 174.900 -0.348 0.000 1.086 692 G CA -0.239 44.679 45.100 -0.304 0.000 0.818 692 G HN 0.351 nan 8.290 nan 0.000 0.490 693 C N -0.308 118.790 119.300 -0.337 0.000 2.898 693 C HA 0.832 5.291 4.460 -0.002 0.000 0.304 693 C C 0.356 175.324 174.990 -0.038 0.000 1.237 693 C CA -1.383 57.486 59.018 -0.248 0.000 1.529 693 C CB 0.617 28.029 27.740 -0.548 0.000 2.021 693 C HN 0.492 nan 8.230 nan 0.000 0.474 694 F N 2.824 122.739 119.950 -0.059 0.000 2.518 694 F HA 0.356 4.882 4.527 -0.002 0.000 0.359 694 F C 0.765 176.505 175.800 -0.100 0.000 1.118 694 F CA 0.427 58.431 58.000 0.006 0.000 1.287 694 F CB 0.639 39.728 39.000 0.149 0.000 1.132 694 F HN 0.292 nan 8.300 nan 0.000 0.587 695 V N 5.284 125.184 119.914 -0.023 0.000 2.481 695 V HA 0.248 4.367 4.120 -0.002 0.000 0.286 695 V C -1.965 174.016 176.094 -0.187 0.000 1.042 695 V CA -1.920 60.260 62.300 -0.199 0.000 0.928 695 V CB 1.647 33.366 31.823 -0.173 0.000 0.986 695 V HN 0.486 nan 8.190 nan 0.000 0.462 696 P HA 0.143 nan 4.420 nan 0.000 0.238 696 P C -0.530 176.767 177.300 -0.005 0.000 1.679 696 P CA 0.405 63.382 63.100 -0.204 0.000 1.080 696 P CB -0.272 31.212 31.700 -0.359 0.000 1.961 697 C N -0.233 119.104 119.300 0.062 0.000 3.335 697 C HA 0.245 4.704 4.460 -0.002 0.000 0.356 697 C C 1.740 176.783 174.990 0.089 0.000 1.570 697 C CA -0.439 58.617 59.018 0.064 0.000 1.271 697 C CB 2.064 29.818 27.740 0.023 0.000 1.873 697 C HN 0.311 nan 8.230 nan 0.000 0.439 698 E N 0.189 120.433 120.200 0.073 0.000 2.251 698 E HA 0.108 4.457 4.350 -0.002 0.000 0.194 698 E C 0.245 176.877 176.600 0.053 0.000 0.964 698 E CA 0.604 57.045 56.400 0.069 0.000 0.868 698 E CB 0.579 30.316 29.700 0.061 0.000 0.828 698 E HN 0.473 nan 8.360 nan 0.000 0.481 699 S N -0.363 115.361 115.700 0.040 0.000 2.566 699 S HA 0.655 5.124 4.470 -0.002 0.000 0.273 699 S C -1.769 172.835 174.600 0.006 0.000 1.157 699 S CA -0.510 57.703 58.200 0.021 0.000 0.938 699 S CB 1.576 64.793 63.200 0.027 0.000 1.087 699 S HN 0.163 nan 8.310 nan 0.000 0.474 700 A N 2.992 125.798 122.820 -0.024 0.000 2.539 700 A HA 0.891 5.210 4.320 -0.002 0.000 0.296 700 A C -1.087 176.458 177.584 -0.065 0.000 1.073 700 A CA -0.566 51.444 52.037 -0.046 0.000 0.700 700 A CB 1.856 20.811 19.000 -0.075 0.000 1.296 700 A HN 0.786 nan 8.150 nan 0.000 0.405 701 E N 0.970 121.127 120.200 -0.071 0.000 2.313 701 E HA 0.529 4.878 4.350 -0.002 0.000 0.280 701 E C -2.122 174.411 176.600 -0.112 0.000 0.898 701 E CA -0.329 56.021 56.400 -0.083 0.000 0.803 701 E CB 1.868 31.535 29.700 -0.055 0.000 1.286 701 E HN 0.479 nan 8.360 nan 0.000 0.401 702 V N 2.877 122.707 119.914 -0.140 0.000 2.531 702 V HA 0.373 4.492 4.120 -0.002 0.000 0.301 702 V C -0.159 175.822 176.094 -0.189 0.000 1.034 702 V CA -0.801 61.385 62.300 -0.191 0.000 0.865 702 V CB 1.991 33.687 31.823 -0.212 0.000 0.995 702 V HN 0.655 nan 8.190 nan 0.000 0.424 703 S N 4.988 120.549 115.700 -0.232 0.000 2.523 703 S HA 0.520 4.989 4.470 -0.002 0.000 0.275 703 S C 0.165 174.633 174.600 -0.219 0.000 1.281 703 S CA -0.396 57.694 58.200 -0.183 0.000 1.050 703 S CB 0.558 63.681 63.200 -0.130 0.000 0.937 703 S HN 0.542 nan 8.310 nan 0.000 0.492 704 I N 3.294 123.778 120.570 -0.144 0.000 2.742 704 I HA -0.016 4.153 4.170 -0.002 0.000 0.287 704 I C -0.057 175.986 176.117 -0.124 0.000 1.186 704 I CA -0.007 61.214 61.300 -0.132 0.000 1.417 704 I CB -0.139 37.804 38.000 -0.094 0.000 1.377 704 I HN 0.212 nan 8.210 nan 0.000 0.556 705 V N 6.702 126.526 119.914 -0.150 0.000 2.509 705 V HA 0.025 4.144 4.120 -0.002 0.000 0.284 705 V C 0.950 177.008 176.094 -0.060 0.000 1.047 705 V CA -0.158 62.069 62.300 -0.120 0.000 0.952 705 V CB 1.591 33.300 31.823 -0.190 0.000 0.988 705 V HN 0.756 nan 8.190 nan 0.000 0.469 706 D N 2.527 122.915 120.400 -0.020 0.000 2.084 706 D HA -0.064 4.575 4.640 -0.002 0.000 0.196 706 D C 0.476 176.776 176.300 -0.000 0.000 0.985 706 D CA 1.402 55.397 54.000 -0.008 0.000 0.826 706 D CB 0.232 41.038 40.800 0.009 0.000 0.978 706 D HN 0.767 nan 8.370 nan 0.000 0.456 707 C N -0.277 119.024 119.300 0.002 0.000 2.752 707 C HA 0.606 5.065 4.460 -0.002 0.000 0.360 707 C C -0.188 174.797 174.990 -0.009 0.000 1.081 707 C CA -1.437 57.584 59.018 0.006 0.000 1.272 707 C CB 0.047 27.804 27.740 0.027 0.000 1.754 707 C HN 0.149 nan 8.230 nan 0.000 0.483 708 I N 3.703 124.259 120.570 -0.022 0.000 2.256 708 I HA 0.280 4.449 4.170 -0.002 0.000 0.294 708 I C -0.202 175.908 176.117 -0.012 0.000 1.127 708 I CA 0.211 61.489 61.300 -0.036 0.000 1.247 708 I CB 0.234 38.198 38.000 -0.060 0.000 1.460 708 I HN 0.566 nan 8.210 nan 0.000 0.511 709 L N 5.882 127.104 121.223 -0.001 0.000 2.325 709 L HA 0.846 5.185 4.340 -0.002 0.000 0.279 709 L C 0.198 177.074 176.870 0.011 0.000 1.054 709 L CA -0.428 54.419 54.840 0.011 0.000 0.804 709 L CB 1.592 43.662 42.059 0.019 0.000 1.200 709 L HN 0.611 nan 8.230 nan 0.000 0.436 710 A N 2.526 125.357 122.820 0.018 0.000 2.539 710 A HA 0.868 5.186 4.320 -0.002 0.000 0.296 710 A C -1.318 176.287 177.584 0.035 0.000 1.073 710 A CA -0.683 51.371 52.037 0.028 0.000 0.700 710 A CB 2.067 21.084 19.000 0.029 0.000 1.296 710 A HN 0.622 nan 8.150 nan 0.000 0.405 711 R N 0.725 121.254 120.500 0.050 0.000 2.451 711 R HA 0.646 4.985 4.340 -0.002 0.000 0.307 711 R C -2.252 174.102 176.300 0.089 0.000 0.965 711 R CA -0.282 55.852 56.100 0.057 0.000 0.865 711 R CB 1.070 31.395 30.300 0.043 0.000 1.174 711 R HN 0.568 nan 8.270 nan 0.000 0.455 712 V N 4.387 124.349 119.914 0.081 0.000 2.577 712 V HA 0.639 4.758 4.120 -0.002 0.000 0.303 712 V C 0.789 176.936 176.094 0.087 0.000 1.042 712 V CA -0.523 61.833 62.300 0.093 0.000 0.872 712 V CB 1.798 33.668 31.823 0.078 0.000 0.998 712 V HN 0.920 nan 8.190 nan 0.000 0.423 724 T N -1.627 113.006 114.554 0.132 0.000 3.065 724 T HA 0.246 4.595 4.350 -0.002 0.000 0.252 724 T C 0.985 175.806 174.700 0.202 0.000 1.099 724 T CA 0.417 62.599 62.100 0.137 0.000 1.063 724 T CB -0.237 68.707 68.868 0.127 0.000 0.948 724 T HN 0.414 nan 8.240 nan 0.000 0.506 725 F N 0.706 120.692 119.950 0.060 0.000 2.559 725 F HA 0.459 4.985 4.527 -0.001 0.000 0.286 725 F C 2.000 177.835 175.800 0.057 0.000 1.108 725 F CA -0.173 57.868 58.000 0.069 0.000 1.436 725 F CB 0.067 39.112 39.000 0.076 0.000 1.130 725 F HN -0.087 nan 8.300 nan 0.000 0.584 726 M N 0.375 120.020 119.600 0.075 0.000 2.086 726 M HA -0.098 4.381 4.480 -0.002 0.000 0.261 726 M C 2.478 178.739 176.300 -0.065 0.000 1.067 726 M CA 1.741 57.033 55.300 -0.013 0.000 1.116 726 M CB -1.627 31.003 32.600 0.051 0.000 1.348 726 M HN 0.259 nan 8.290 nan 0.000 0.407 727 A N -0.647 122.162 122.820 -0.019 0.000 2.015 727 A HA -0.174 4.145 4.320 -0.002 0.000 0.219 727 A C 2.077 179.633 177.584 -0.046 0.000 1.163 727 A CA 1.727 53.754 52.037 -0.017 0.000 0.646 727 A CB -0.681 18.328 19.000 0.015 0.000 0.806 727 A HN 0.608 nan 8.150 nan 0.000 0.448 728 E N -0.809 119.342 120.200 -0.082 0.000 2.072 728 E HA -0.161 4.188 4.350 -0.002 0.000 0.190 728 E C 1.784 178.275 176.600 -0.181 0.000 0.982 728 E CA 1.311 57.650 56.400 -0.103 0.000 0.803 728 E CB -0.110 29.539 29.700 -0.085 0.000 0.755 728 E HN 0.460 nan 8.360 nan 0.000 0.453 729 M N 0.182 119.595 119.600 -0.312 0.000 2.288 729 M HA -0.003 4.475 4.480 -0.002 0.000 0.266 729 M C 2.265 178.474 176.300 -0.153 0.000 1.072 729 M CA 0.874 56.005 55.300 -0.282 0.000 1.132 729 M CB -0.672 31.690 32.600 -0.397 0.000 1.386 729 M HN 0.195 nan 8.290 nan 0.000 0.432 730 L N -0.121 121.033 121.223 -0.115 0.000 2.141 730 L HA -0.183 4.156 4.340 -0.002 0.000 0.209 730 L C 2.532 179.377 176.870 -0.043 0.000 1.094 730 L CA 1.185 55.988 54.840 -0.063 0.000 0.763 730 L CB -0.436 41.601 42.059 -0.036 0.000 0.908 730 L HN 0.383 nan 8.230 nan 0.000 0.437 731 E N -0.229 119.946 120.200 -0.042 0.000 2.072 731 E HA -0.201 4.147 4.350 -0.002 0.000 0.190 731 E C 2.102 178.687 176.600 -0.024 0.000 0.982 731 E CA 1.716 58.104 56.400 -0.020 0.000 0.803 731 E CB 0.116 29.810 29.700 -0.009 0.000 0.755 731 E HN 0.522 nan 8.360 nan 0.000 0.453 732 T N -1.252 113.274 114.554 -0.046 0.000 2.867 732 T HA 0.006 4.355 4.350 -0.002 0.000 0.268 732 T C 1.981 176.654 174.700 -0.045 0.000 1.057 732 T CA 0.991 63.062 62.100 -0.047 0.000 1.136 732 T CB -0.278 68.547 68.868 -0.073 0.000 0.874 732 T HN 0.199 nan 8.240 nan 0.000 0.466 733 A N 1.161 123.946 122.820 -0.059 0.000 1.969 733 A HA 0.053 4.372 4.320 -0.002 0.000 0.218 733 A C 2.636 180.202 177.584 -0.030 0.000 1.169 733 A CA 1.763 53.765 52.037 -0.058 0.000 0.635 733 A CB -1.039 17.921 19.000 -0.068 0.000 0.810 733 A HN 0.534 nan 8.150 nan 0.000 0.445 734 S N -0.654 115.035 115.700 -0.019 0.000 2.414 734 S HA -0.016 4.453 4.470 -0.002 0.000 0.227 734 S C 1.843 176.449 174.600 0.010 0.000 1.022 734 S CA 0.913 59.111 58.200 -0.003 0.000 0.958 734 S CB -0.489 62.715 63.200 0.006 0.000 0.797 734 S HN 0.503 nan 8.310 nan 0.000 0.493 735 I N 1.039 121.614 120.570 0.010 0.000 2.179 735 I HA -0.151 4.018 4.170 -0.002 0.000 0.242 735 I C 1.860 178.000 176.117 0.038 0.000 1.088 735 I CA 0.858 62.172 61.300 0.022 0.000 1.357 735 I CB -0.328 37.682 38.000 0.017 0.000 1.051 735 I HN 0.280 nan 8.210 nan 0.000 0.409 736 L N 0.427 121.675 121.223 0.042 0.000 2.265 736 L HA -0.140 4.199 4.340 -0.002 0.000 0.215 736 L C 2.477 179.393 176.870 0.077 0.000 1.117 736 L CA 1.486 56.377 54.840 0.085 0.000 0.782 736 L CB -0.906 41.207 42.059 0.090 0.000 0.914 736 L HN 0.153 nan 8.230 nan 0.000 0.441 737 R N -1.308 119.217 120.500 0.041 0.000 2.090 737 R HA 0.049 4.388 4.340 -0.002 0.000 0.228 737 R C 2.171 178.496 176.300 0.041 0.000 1.110 737 R CA 1.251 57.371 56.100 0.034 0.000 0.973 737 R CB -0.620 29.686 30.300 0.011 0.000 0.869 737 R HN 0.342 nan 8.270 nan 0.000 0.440 738 S N 0.652 116.377 115.700 0.042 0.000 2.468 738 S HA 0.187 4.656 4.470 -0.002 0.000 0.226 738 S C 0.816 175.443 174.600 0.045 0.000 1.051 738 S CA 0.148 58.376 58.200 0.047 0.000 0.943 738 S CB 0.165 63.392 63.200 0.046 0.000 0.810 738 S HN 0.376 nan 8.310 nan 0.000 0.509 739 A N 2.645 125.493 122.820 0.046 0.000 2.550 739 A HA 0.303 4.622 4.320 -0.002 0.000 0.263 739 A C 0.506 178.108 177.584 0.031 0.000 1.065 739 A CA 0.638 52.701 52.037 0.043 0.000 0.786 739 A CB -0.393 18.640 19.000 0.054 0.000 0.985 739 A HN 0.275 nan 8.150 nan 0.000 0.518 740 T N 0.913 115.482 114.554 0.025 0.000 2.870 740 T HA 0.420 4.769 4.350 -0.002 0.000 0.277 740 T C 1.508 176.207 174.700 -0.002 0.000 1.000 740 T CA -0.038 62.067 62.100 0.009 0.000 0.982 740 T CB 0.815 69.691 68.868 0.013 0.000 1.249 740 T HN 0.715 nan 8.240 nan 0.000 0.589 741 K N 0.341 120.727 120.400 -0.023 0.000 2.360 741 K HA -0.034 4.285 4.320 -0.002 0.000 0.201 741 K C 0.561 177.154 176.600 -0.012 0.000 1.046 741 K CA 1.591 57.842 56.287 -0.060 0.000 0.945 741 K CB 0.030 32.486 32.500 -0.072 0.000 0.750 741 K HN 0.354 nan 8.250 nan 0.000 0.464 742 D N 0.863 121.304 120.400 0.067 0.000 2.327 742 D HA 0.036 4.675 4.640 -0.002 0.000 0.205 742 D C 0.141 176.561 176.300 0.199 0.000 0.989 742 D CA 0.220 54.319 54.000 0.165 0.000 0.873 742 D CB 0.209 41.054 40.800 0.075 0.000 0.955 742 D HN 0.086 nan 8.370 nan 0.000 0.515 743 S N 0.622 116.398 115.700 0.128 0.000 2.580 743 S HA 0.222 4.691 4.470 -0.002 0.000 0.266 743 S C -0.021 174.661 174.600 0.137 0.000 1.354 743 S CA -0.452 57.803 58.200 0.092 0.000 1.008 743 S CB 0.941 64.174 63.200 0.056 0.000 0.898 743 S HN 0.122 nan 8.310 nan 0.000 0.555 744 L N 2.618 123.858 121.223 0.028 0.000 2.349 744 L HA 0.613 4.952 4.340 -0.002 0.000 0.278 744 L C -1.264 175.595 176.870 -0.019 0.000 0.996 744 L CA -0.166 54.657 54.840 -0.028 0.000 0.825 744 L CB 0.657 42.619 42.059 -0.162 0.000 1.243 744 L HN 0.578 nan 8.230 nan 0.000 0.412 745 I N 6.329 126.897 120.570 -0.003 0.000 2.378 745 I HA 0.420 4.589 4.170 -0.002 0.000 0.291 745 I C -0.574 175.542 176.117 -0.002 0.000 0.992 745 I CA -0.470 60.832 61.300 0.004 0.000 1.154 745 I CB 1.675 39.689 38.000 0.023 0.000 1.315 745 I HN 0.495 nan 8.210 nan 0.000 0.448 746 I N 7.467 128.045 120.570 0.013 0.000 2.464 746 I HA 0.393 4.562 4.170 -0.002 0.000 0.277 746 I C -0.432 175.734 176.117 0.081 0.000 1.040 746 I CA -0.261 61.063 61.300 0.041 0.000 1.153 746 I CB 0.841 38.856 38.000 0.025 0.000 1.274 746 I HN 0.374 nan 8.210 nan 0.000 0.469 747 I N 4.493 125.145 120.570 0.135 0.000 2.336 747 I HA 0.313 4.482 4.170 -0.002 0.000 0.292 747 I C -0.443 175.901 176.117 0.379 0.000 0.991 747 I CA -0.324 61.095 61.300 0.199 0.000 1.227 747 I CB 1.404 39.431 38.000 0.046 0.000 1.366 747 I HN 0.429 nan 8.210 nan 0.000 0.466 748 D N 6.887 127.466 120.400 0.298 0.000 2.440 748 D HA 0.128 4.767 4.640 -0.002 0.000 0.239 748 D C -0.085 176.405 176.300 0.316 0.000 1.084 748 D CA -0.348 53.820 54.000 0.280 0.000 0.843 748 D CB 0.918 41.826 40.800 0.179 0.000 1.097 748 D HN 0.600 nan 8.370 nan 0.000 0.531 749 E N 2.491 122.904 120.200 0.354 0.000 2.369 749 E HA -0.235 4.114 4.350 -0.002 0.000 0.165 749 E C -1.206 175.683 176.600 0.483 0.000 1.622 749 E CA 0.106 56.732 56.400 0.377 0.000 0.660 749 E CB -0.627 29.223 29.700 0.250 0.000 1.085 749 E HN 0.551 nan 8.360 nan 0.000 0.346 750 L N 1.508 123.146 121.223 0.691 0.000 2.334 750 L HA 0.597 4.936 4.340 -0.002 0.000 0.277 750 L C 1.263 178.558 176.870 0.708 0.000 1.075 750 L CA 0.853 56.038 54.840 0.575 0.000 0.804 750 L CB 1.013 43.300 42.059 0.380 0.000 1.174 750 L HN 0.543 nan 8.230 nan 0.000 0.438 751 G N 3.070 112.256 108.800 0.644 0.000 2.148 751 G HA2 -0.246 3.713 3.960 -0.002 0.000 0.203 751 G HA3 -0.246 3.713 3.960 -0.002 0.000 0.203 751 G C 0.473 175.771 174.900 0.665 0.000 0.993 751 G CA 0.237 45.803 45.100 0.776 0.000 0.661 751 G HN 0.804 nan 8.290 nan 0.000 0.518 752 R N 0.286 121.071 120.500 0.475 0.000 2.788 752 R HA 0.518 4.857 4.340 -0.002 0.000 0.264 752 R C 1.433 177.838 176.300 0.174 0.000 1.267 752 R CA 0.574 56.793 56.100 0.197 0.000 1.213 752 R CB 0.132 30.441 30.300 0.015 0.000 1.256 752 R HN 0.337 nan 8.270 nan 0.000 0.556 753 G N 0.852 109.779 108.800 0.212 0.000 2.543 753 G HA2 -0.017 3.942 3.960 -0.002 0.000 0.221 753 G HA3 -0.017 3.942 3.960 -0.002 0.000 0.221 753 G C 0.491 175.272 174.900 -0.199 0.000 1.902 753 G CA 0.486 45.620 45.100 0.056 0.000 0.838 753 G HN 0.379 nan 8.290 nan 0.000 0.650 754 T N 0.036 114.229 114.554 -0.601 0.000 3.051 754 T HA 0.368 4.717 4.350 -0.002 0.000 0.356 754 T C 1.087 175.700 174.700 -0.145 0.000 1.204 754 T CA 0.525 62.400 62.100 -0.375 0.000 0.990 754 T CB -0.110 68.456 68.868 -0.503 0.000 1.628 754 T HN 0.807 nan 8.240 nan 0.000 0.550 755 S N 0.472 116.131 115.700 -0.068 0.000 2.558 755 S HA 0.110 4.579 4.470 -0.002 0.000 0.288 755 S C 1.693 176.340 174.600 0.079 0.000 1.318 755 S CA -0.126 58.096 58.200 0.036 0.000 1.056 755 S CB 0.135 63.395 63.200 0.099 0.000 0.853 755 S HN 1.011 nan 8.310 nan 0.000 0.505 756 T N 0.703 115.296 114.554 0.064 0.000 2.685 756 T HA -0.290 4.059 4.350 -0.002 0.000 0.268 756 T C 1.296 176.034 174.700 0.063 0.000 1.034 756 T CA 1.894 64.056 62.100 0.103 0.000 1.149 756 T CB -1.156 67.673 68.868 -0.066 0.000 0.860 756 T HN 0.734 nan 8.240 nan 0.000 0.449 757 Y N 2.355 122.736 120.300 0.134 0.000 2.181 757 Y HA 0.003 4.552 4.550 -0.002 0.000 0.288 757 Y C 2.519 178.470 175.900 0.086 0.000 1.146 757 Y CA 1.224 59.388 58.100 0.107 0.000 1.164 757 Y CB -0.636 37.860 38.460 0.060 0.000 0.982 757 Y HN 0.254 nan 8.280 nan 0.000 0.515 758 D N -0.971 119.557 120.400 0.212 0.000 2.183 758 D HA -0.063 4.575 4.640 -0.002 0.000 0.203 758 D C 2.383 178.755 176.300 0.120 0.000 0.969 758 D CA 1.274 55.349 54.000 0.125 0.000 0.842 758 D CB -0.721 40.121 40.800 0.070 0.000 0.957 758 D HN 0.387 nan 8.370 nan 0.000 0.484 759 G N 0.086 108.975 108.800 0.148 0.000 2.394 759 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.214 759 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.214 759 G C 1.429 176.356 174.900 0.045 0.000 1.176 759 G CA 0.202 45.460 45.100 0.263 0.000 0.786 759 G HN 0.268 nan 8.290 nan 0.000 0.533 760 F N 2.519 122.175 119.950 -0.490 0.000 2.146 760 F HA 0.117 4.643 4.527 -0.001 0.000 0.298 760 F C 2.457 178.069 175.800 -0.313 0.000 1.096 760 F CA 1.326 58.734 58.000 -0.986 0.000 1.275 760 F CB -0.503 37.919 39.000 -0.965 0.000 1.008 760 F HN 0.100 nan 8.300 nan 0.000 0.480 761 G N 1.235 109.853 108.800 -0.303 0.000 2.459 761 G HA2 -0.250 3.709 3.960 -0.002 0.000 0.217 761 G HA3 -0.250 3.709 3.960 -0.002 0.000 0.217 761 G C 1.776 176.582 174.900 -0.158 0.000 1.183 761 G CA 1.265 46.200 45.100 -0.275 0.000 0.776 761 G HN 0.443 nan 8.290 nan 0.000 0.552 762 L N 0.644 121.842 121.223 -0.041 0.000 2.141 762 L HA -0.000 4.339 4.340 -0.002 0.000 0.209 762 L C 3.352 180.219 176.870 -0.004 0.000 1.094 762 L CA 0.833 55.682 54.840 0.015 0.000 0.763 762 L CB -0.328 41.799 42.059 0.114 0.000 0.908 762 L HN 0.323 nan 8.230 nan 0.000 0.437 763 A N -0.611 122.204 122.820 -0.009 0.000 1.968 763 A HA -0.233 4.086 4.320 -0.002 0.000 0.217 763 A C 2.151 179.753 177.584 0.030 0.000 1.169 763 A CA 0.947 53.019 52.037 0.058 0.000 0.638 763 A CB -0.780 18.352 19.000 0.220 0.000 0.812 763 A HN 0.668 nan 8.150 nan 0.000 0.446 764 W N 0.679 121.777 121.300 -0.337 0.000 2.436 764 W HA -0.020 4.639 4.660 -0.002 0.000 0.284 764 W C 2.083 178.477 176.519 -0.210 0.000 1.225 764 W CA 1.489 58.629 57.345 -0.342 0.000 1.271 764 W CB -0.147 28.909 29.460 -0.673 0.000 1.114 764 W HN 0.404 nan 8.180 nan 0.000 0.559 765 A N 0.632 123.471 122.820 0.032 0.000 1.930 765 A HA -0.095 4.224 4.320 -0.002 0.000 0.215 765 A C 2.025 179.581 177.584 -0.047 0.000 1.176 765 A CA 1.436 53.476 52.037 0.005 0.000 0.632 765 A CB -0.889 18.118 19.000 0.011 0.000 0.819 765 A HN 0.262 nan 8.150 nan 0.000 0.445 766 I N -0.276 120.255 120.570 -0.065 0.000 2.315 766 I HA -0.187 3.982 4.170 -0.002 0.000 0.248 766 I C 2.597 178.688 176.117 -0.043 0.000 1.117 766 I CA 1.214 62.483 61.300 -0.052 0.000 1.404 766 I CB -0.258 37.688 38.000 -0.090 0.000 1.071 766 I HN 0.207 nan 8.210 nan 0.000 0.419 767 S N 0.894 116.507 115.700 -0.145 0.000 2.359 767 S HA -0.233 4.236 4.470 -0.002 0.000 0.224 767 S C 1.823 176.095 174.600 -0.547 0.000 1.035 767 S CA 1.922 59.924 58.200 -0.329 0.000 1.018 767 S CB -0.402 62.596 63.200 -0.337 0.000 0.876 767 S HN 0.630 nan 8.310 nan 0.000 0.448 768 E N -0.159 119.788 120.200 -0.423 0.000 2.274 768 E HA -0.147 4.202 4.350 -0.002 0.000 0.194 768 E C 1.808 178.307 176.600 -0.167 0.000 0.996 768 E CA 0.782 56.970 56.400 -0.354 0.000 0.840 768 E CB -0.427 29.087 29.700 -0.310 0.000 0.772 768 E HN 0.685 nan 8.360 nan 0.000 0.491 769 Y N 1.456 121.643 120.300 -0.188 0.000 2.263 769 Y HA -0.005 4.544 4.550 -0.002 0.000 0.292 769 Y C 1.927 177.777 175.900 -0.083 0.000 1.130 769 Y CA 1.394 59.428 58.100 -0.110 0.000 1.179 769 Y CB 0.147 38.560 38.460 -0.078 0.000 0.998 769 Y HN -0.045 nan 8.280 nan 0.000 0.532 770 I N -0.275 120.302 120.570 0.013 0.000 2.286 770 I HA -0.199 3.970 4.170 -0.002 0.000 0.245 770 I C 2.508 178.612 176.117 -0.023 0.000 1.104 770 I CA 1.050 62.370 61.300 0.034 0.000 1.397 770 I CB -0.590 37.556 38.000 0.244 0.000 1.072 770 I HN 0.252 nan 8.210 nan 0.000 0.417 771 A N -0.004 122.745 122.820 -0.118 0.000 2.121 771 A HA -0.090 4.229 4.320 -0.002 0.000 0.218 771 A C 2.165 179.665 177.584 -0.140 0.000 1.154 771 A CA 1.955 53.915 52.037 -0.129 0.000 0.679 771 A CB -0.560 18.219 19.000 -0.369 0.000 0.795 771 A HN 0.409 nan 8.150 nan 0.000 0.458 772 T N -1.285 113.162 114.554 -0.178 0.000 3.151 772 T HA 0.087 4.436 4.350 -0.002 0.000 0.239 772 T C 1.841 176.425 174.700 -0.195 0.000 0.979 772 T CA 0.812 62.812 62.100 -0.167 0.000 1.194 772 T CB -0.002 68.772 68.868 -0.156 0.000 0.982 772 T HN 0.389 nan 8.240 nan 0.000 0.428 773 K N 0.783 121.000 120.400 -0.305 0.000 2.137 773 K HA 0.194 4.513 4.320 -0.002 0.000 0.202 773 K C 1.996 178.413 176.600 -0.304 0.000 1.052 773 K CA 0.693 56.767 56.287 -0.356 0.000 0.961 773 K CB 0.059 32.205 32.500 -0.590 0.000 0.741 773 K HN 0.187 nan 8.250 nan 0.000 0.452 774 I N 0.312 120.701 120.570 -0.301 0.000 2.339 774 I HA -0.011 4.158 4.170 -0.002 0.000 0.245 774 I C 1.410 177.456 176.117 -0.118 0.000 1.096 774 I CA 1.169 62.369 61.300 -0.167 0.000 1.408 774 I CB -1.353 36.593 38.000 -0.091 0.000 1.092 774 I HN 0.399 nan 8.210 nan 0.000 0.423 775 G N 1.806 110.538 108.800 -0.113 0.000 2.273 775 G HA2 -0.162 3.797 3.960 -0.002 0.000 0.280 775 G HA3 -0.162 3.797 3.960 -0.002 0.000 0.280 775 G C 0.393 175.196 174.900 -0.162 0.000 1.047 775 G CA 0.469 45.497 45.100 -0.119 0.000 0.869 775 G HN 0.734 nan 8.290 nan 0.000 0.502 776 A N -0.673 122.086 122.820 -0.102 0.000 2.269 776 A HA 0.864 5.183 4.320 -0.002 0.000 0.319 776 A C 0.086 177.597 177.584 -0.122 0.000 1.110 776 A CA -0.827 51.133 52.037 -0.128 0.000 0.847 776 A CB 0.679 19.681 19.000 0.003 0.000 1.161 776 A HN 0.638 nan 8.150 nan 0.000 0.497 777 F N 0.226 120.160 119.950 -0.027 0.000 2.506 777 F HA 0.414 4.940 4.527 -0.002 0.000 0.371 777 F C 0.671 176.428 175.800 -0.073 0.000 1.078 777 F CA 0.316 58.252 58.000 -0.106 0.000 1.195 777 F CB 0.487 39.196 39.000 -0.484 0.000 1.099 777 F HN 0.495 nan 8.300 nan 0.000 0.548 778 C N 6.356 125.809 119.300 0.254 0.000 2.783 778 C HA 0.793 5.252 4.460 -0.002 0.000 0.312 778 C C -0.795 174.206 174.990 0.018 0.000 1.182 778 C CA -0.992 58.041 59.018 0.025 0.000 1.432 778 C CB 0.979 28.625 27.740 -0.157 0.000 1.933 778 C HN 0.869 nan 8.230 nan 0.000 0.473 779 M N 5.227 124.815 119.600 -0.020 0.000 2.204 779 M HA 0.448 4.927 4.480 -0.002 0.000 0.293 779 M C -1.367 174.979 176.300 0.078 0.000 0.994 779 M CA -0.262 55.074 55.300 0.059 0.000 0.925 779 M CB 2.022 34.710 32.600 0.147 0.000 1.577 779 M HN 0.650 nan 8.290 nan 0.000 0.439 780 F N 3.321 123.204 119.950 -0.112 0.000 2.610 780 F HA 0.748 5.274 4.527 -0.001 0.000 0.355 780 F C -0.792 175.086 175.800 0.131 0.000 1.140 780 F CA -1.233 56.778 58.000 0.018 0.000 1.037 780 F CB 0.733 39.759 39.000 0.044 0.000 1.287 780 F HN 0.629 nan 8.300 nan 0.000 0.457 781 A N 4.160 126.996 122.820 0.025 0.000 2.409 781 A HA 0.578 4.897 4.320 -0.002 0.000 0.267 781 A C 0.081 177.480 177.584 -0.309 0.000 1.127 781 A CA 0.121 52.111 52.037 -0.078 0.000 0.795 781 A CB 0.289 19.336 19.000 0.079 0.000 1.061 781 A HN 0.781 nan 8.150 nan 0.000 0.502 782 T N 0.387 114.730 114.554 -0.352 0.000 2.906 782 T HA 0.473 4.822 4.350 -0.002 0.000 0.295 782 T C 0.875 175.530 174.700 -0.076 0.000 1.075 782 T CA -0.319 61.591 62.100 -0.316 0.000 1.005 782 T CB 0.768 69.301 68.868 -0.560 0.000 1.136 782 T HN 0.790 nan 8.240 nan 0.000 0.498 783 H N 1.982 120.998 119.070 -0.090 0.000 2.563 783 H HA 0.226 4.781 4.556 -0.002 0.000 0.264 783 H C -0.302 174.954 175.328 -0.121 0.000 0.957 783 H CA -0.209 55.760 56.048 -0.130 0.000 1.173 783 H CB -0.202 29.427 29.762 -0.222 0.000 1.420 783 H HN 0.351 nan 8.280 nan 0.000 0.551 784 F N 3.636 123.393 119.950 -0.322 0.000 2.466 784 F HA 0.123 4.649 4.527 -0.002 0.000 0.363 784 F C 1.478 177.235 175.800 -0.072 0.000 1.109 784 F CA -0.370 57.508 58.000 -0.203 0.000 1.161 784 F CB 0.670 39.626 39.000 -0.072 0.000 1.117 784 F HN 0.335 nan 8.300 nan 0.000 0.539 785 H N -0.424 118.726 119.070 0.133 0.000 2.502 785 H HA 0.068 4.623 4.556 -0.002 0.000 0.283 785 H C 1.101 176.492 175.328 0.105 0.000 1.015 785 H CA 0.918 57.021 56.048 0.091 0.000 1.298 785 H CB 0.066 29.849 29.762 0.035 0.000 1.411 785 H HN 0.453 nan 8.280 nan 0.000 0.556 786 E N 0.696 120.688 120.200 -0.345 0.000 2.481 786 E HA -0.004 4.345 4.350 -0.002 0.000 0.195 786 E C 1.729 178.509 176.600 0.300 0.000 1.047 786 E CA 0.103 56.369 56.400 -0.223 0.000 0.867 786 E CB 0.238 29.445 29.700 -0.821 0.000 0.858 786 E HN 0.552 nan 8.360 nan 0.000 0.513 787 L N 1.403 122.923 121.223 0.495 0.000 2.418 787 L HA -0.061 4.278 4.340 -0.002 0.000 0.218 787 L C 2.252 179.392 176.870 0.450 0.000 1.125 787 L CA 1.081 56.364 54.840 0.737 0.000 0.835 787 L CB -0.177 42.226 42.059 0.573 0.000 0.953 787 L HN 0.114 nan 8.230 nan 0.000 0.454 788 T N -3.478 111.269 114.554 0.322 0.000 3.007 788 T HA -0.043 4.306 4.350 -0.002 0.000 0.270 788 T C 1.644 176.473 174.700 0.215 0.000 1.107 788 T CA 0.696 62.927 62.100 0.218 0.000 1.118 788 T CB -0.325 68.648 68.868 0.176 0.000 0.889 788 T HN 0.312 nan 8.240 nan 0.000 0.506 789 A N 0.657 123.681 122.820 0.340 0.000 2.248 789 A HA 0.326 4.645 4.320 -0.002 0.000 0.210 789 A C 2.027 179.810 177.584 0.331 0.000 1.174 789 A CA 0.417 52.660 52.037 0.342 0.000 0.750 789 A CB -0.785 18.443 19.000 0.380 0.000 0.780 789 A HN 0.490 nan 8.150 nan 0.000 0.478 790 L N -0.994 120.271 121.223 0.070 0.000 2.313 790 L HA 0.107 4.446 4.340 -0.002 0.000 0.214 790 L C 2.478 179.273 176.870 -0.125 0.000 1.119 790 L CA 1.592 56.259 54.840 -0.288 0.000 0.809 790 L CB -0.442 41.191 42.059 -0.711 0.000 0.933 790 L HN 0.321 nan 8.230 nan 0.000 0.449 791 A N -0.507 122.295 122.820 -0.029 0.000 2.070 791 A HA -0.145 4.174 4.320 -0.002 0.000 0.220 791 A C 1.656 179.243 177.584 0.004 0.000 1.159 791 A CA 1.524 53.554 52.037 -0.011 0.000 0.656 791 A CB -0.612 18.402 19.000 0.024 0.000 0.800 791 A HN 0.578 nan 8.150 nan 0.000 0.453 792 N N -0.570 118.151 118.700 0.035 0.000 2.336 792 N HA 0.061 4.800 4.740 -0.002 0.000 0.189 792 N C 1.188 176.721 175.510 0.038 0.000 1.113 792 N CA 0.529 53.605 53.050 0.044 0.000 0.858 792 N CB 0.341 38.869 38.487 0.069 0.000 0.970 792 N HN 0.700 nan 8.380 nan 0.000 0.471 793 Q N -0.591 119.220 119.800 0.017 0.000 2.404 793 Q HA 0.355 4.694 4.340 -0.002 0.000 0.262 793 Q C -0.115 175.865 176.000 -0.034 0.000 0.846 793 Q CA 0.376 56.186 55.803 0.010 0.000 0.978 793 Q CB 1.633 30.397 28.738 0.043 0.000 1.156 793 Q HN 0.198 nan 8.270 nan 0.000 0.548 794 I N 2.836 123.363 120.570 -0.072 0.000 2.436 794 I HA 0.196 4.365 4.170 -0.002 0.000 0.289 794 I C -1.809 174.269 176.117 -0.065 0.000 1.010 794 I CA -2.179 59.068 61.300 -0.090 0.000 1.098 794 I CB 2.096 40.001 38.000 -0.159 0.000 1.266 794 I HN -0.097 nan 8.210 nan 0.000 0.434 795 P HA -0.144 nan 4.420 nan 0.000 0.218 795 P C 1.147 178.430 177.300 -0.028 0.000 1.149 795 P CA 1.444 64.527 63.100 -0.028 0.000 0.817 795 P CB -0.129 31.558 31.700 -0.020 0.000 0.785 796 T N -3.243 111.289 114.554 -0.036 0.000 3.252 796 T HA 0.175 4.524 4.350 -0.002 0.000 0.250 796 T C 0.581 175.273 174.700 -0.013 0.000 1.123 796 T CA -0.227 61.862 62.100 -0.019 0.000 1.006 796 T CB -0.772 68.091 68.868 -0.009 0.000 0.992 796 T HN -0.186 nan 8.240 nan 0.000 0.547 797 V N 2.522 122.413 119.914 -0.038 0.000 2.370 797 V HA 0.439 4.558 4.120 -0.002 0.000 0.283 797 V C -0.151 175.922 176.094 -0.034 0.000 1.023 797 V CA -1.134 61.158 62.300 -0.013 0.000 0.857 797 V CB 1.310 33.081 31.823 -0.088 0.000 0.985 797 V HN 0.535 nan 8.190 nan 0.000 0.443 798 N N 3.739 122.395 118.700 -0.072 0.000 2.269 798 N HA 0.406 5.145 4.740 -0.002 0.000 0.304 798 N C -1.245 174.291 175.510 0.043 0.000 1.072 798 N CA -0.713 52.294 53.050 -0.071 0.000 0.802 798 N CB 1.576 39.930 38.487 -0.222 0.000 1.348 798 N HN 0.599 nan 8.380 nan 0.000 0.484 799 N N 2.604 121.354 118.700 0.083 0.000 2.421 799 N HA 0.470 5.209 4.740 -0.002 0.000 0.285 799 N C -0.922 174.678 175.510 0.150 0.000 1.027 799 N CA -0.185 52.943 53.050 0.129 0.000 0.918 799 N CB 1.706 40.265 38.487 0.121 0.000 1.152 799 N HN 0.435 nan 8.380 nan 0.000 0.485 800 L N 2.147 123.467 121.223 0.163 0.000 2.401 800 L HA 0.498 4.837 4.340 -0.002 0.000 0.266 800 L C -0.010 176.936 176.870 0.128 0.000 0.991 800 L CA -0.964 53.946 54.840 0.116 0.000 0.818 800 L CB 2.061 44.174 42.059 0.090 0.000 1.321 800 L HN 0.610 nan 8.230 nan 0.000 0.413 801 H N 0.553 119.634 119.070 0.018 0.000 2.864 801 H HA 0.750 5.305 4.556 -0.002 0.000 0.354 801 H C -1.490 173.826 175.328 -0.020 0.000 1.208 801 H CA -1.003 55.056 56.048 0.018 0.000 1.191 801 H CB 2.094 31.879 29.762 0.038 0.000 1.889 801 H HN 0.274 nan 8.280 nan 0.000 0.574 802 V N 1.868 121.825 119.914 0.072 0.000 2.448 802 V HA 0.264 4.383 4.120 -0.002 0.000 0.295 802 V C 0.454 176.582 176.094 0.056 0.000 1.025 802 V CA -0.562 61.713 62.300 -0.042 0.000 0.859 802 V CB 1.527 33.319 31.823 -0.051 0.000 0.988 802 V HN 1.041 nan 8.190 nan 0.000 0.431 803 T N 1.889 116.424 114.554 -0.030 0.000 2.902 803 T HA 0.901 5.250 4.350 -0.002 0.000 0.280 803 T C -0.204 174.372 174.700 -0.207 0.000 0.992 803 T CA -0.244 61.863 62.100 0.012 0.000 1.015 803 T CB 1.970 70.856 68.868 0.029 0.000 1.044 803 T HN 1.332 nan 8.240 nan 0.000 0.520 804 A N 1.257 123.940 122.820 -0.227 0.000 2.605 804 A HA 0.662 4.981 4.320 -0.002 0.000 0.294 804 A C -1.384 176.112 177.584 -0.147 0.000 1.062 804 A CA -1.036 50.745 52.037 -0.426 0.000 0.682 804 A CB 1.128 19.519 19.000 -1.015 0.000 1.278 804 A HN 0.877 nan 8.150 nan 0.000 0.410 805 L N 1.585 122.729 121.223 -0.132 0.000 2.329 805 L HA 0.720 5.059 4.340 -0.002 0.000 0.279 805 L C 0.401 177.251 176.870 -0.033 0.000 1.014 805 L CA -0.593 54.230 54.840 -0.029 0.000 0.814 805 L CB 2.246 44.278 42.059 -0.044 0.000 1.257 805 L HN 0.931 nan 8.230 nan 0.000 0.424 806 T N -1.738 112.801 114.554 -0.025 0.000 2.912 806 T HA 0.714 5.063 4.350 -0.002 0.000 0.288 806 T C -0.003 174.625 174.700 -0.119 0.000 1.030 806 T CA -0.511 61.498 62.100 -0.152 0.000 1.020 806 T CB 2.373 71.046 68.868 -0.326 0.000 1.056 806 T HN 0.564 nan 8.240 nan 0.000 0.480 807 T N 0.780 115.278 114.554 -0.095 0.000 1.812 807 T HA 0.411 4.760 4.350 -0.002 0.000 0.173 807 T C 0.571 175.318 174.700 0.078 0.000 0.710 807 T CA -0.489 61.612 62.100 0.002 0.000 1.065 807 T CB 0.317 69.208 68.868 0.039 0.000 3.214 807 T HN 0.716 nan 8.240 nan 0.000 0.403 808 E N -0.090 120.214 120.200 0.174 0.000 2.617 808 E HA 0.187 4.536 4.350 -0.002 0.000 0.208 808 E C 0.423 177.132 176.600 0.182 0.000 0.888 808 E CA 0.175 56.706 56.400 0.219 0.000 1.485 808 E CB 1.015 30.774 29.700 0.097 0.000 1.482 808 E HN 0.446 nan 8.360 nan 0.000 0.813 809 E N 0.286 120.571 120.200 0.141 0.000 2.743 809 E HA 0.145 4.494 4.350 -0.002 0.000 0.222 809 E C -0.714 175.939 176.600 0.088 0.000 0.959 809 E CA 0.150 56.591 56.400 0.068 0.000 1.198 809 E CB 1.733 31.455 29.700 0.037 0.000 1.100 809 E HN -0.124 nan 8.360 nan 0.000 0.518 810 T N 1.257 115.904 114.554 0.156 0.000 2.886 810 T HA 0.501 4.850 4.350 -0.002 0.000 0.292 810 T C -1.373 173.416 174.700 0.147 0.000 1.012 810 T CA -0.572 61.596 62.100 0.112 0.000 0.982 810 T CB 2.038 70.939 68.868 0.054 0.000 1.018 810 T HN -0.058 nan 8.240 nan 0.000 0.451 811 L N 3.217 124.491 121.223 0.085 0.000 2.471 811 L HA 0.555 4.894 4.340 -0.002 0.000 0.263 811 L C -0.645 176.185 176.870 -0.066 0.000 0.985 811 L CA 0.010 54.866 54.840 0.026 0.000 0.868 811 L CB 1.233 43.342 42.059 0.082 0.000 1.203 811 L HN 0.668 nan 8.230 nan 0.000 0.429 812 T N 5.342 119.831 114.554 -0.108 0.000 2.829 812 T HA 0.575 4.924 4.350 -0.002 0.000 0.282 812 T C -0.015 174.521 174.700 -0.274 0.000 0.990 812 T CA -0.582 61.429 62.100 -0.148 0.000 1.028 812 T CB 1.218 70.029 68.868 -0.095 0.000 0.951 812 T HN 0.365 nan 8.240 nan 0.000 0.460 813 M N 3.550 122.908 119.600 -0.402 0.000 2.188 813 M HA 0.326 4.805 4.480 -0.002 0.000 0.357 813 M C 0.795 176.684 176.300 -0.686 0.000 1.204 813 M CA -0.536 54.355 55.300 -0.680 0.000 1.095 813 M CB 0.877 32.820 32.600 -1.095 0.000 1.604 813 M HN 0.562 nan 8.290 nan 0.000 0.464 814 L N 2.484 123.423 121.223 -0.474 0.000 2.558 814 L HA -0.019 4.320 4.340 -0.002 0.000 0.225 814 L C 0.068 176.837 176.870 -0.167 0.000 1.128 814 L CA 0.188 54.875 54.840 -0.255 0.000 0.868 814 L CB -0.455 41.511 42.059 -0.156 0.000 1.006 814 L HN 0.710 nan 8.230 nan 0.000 0.454 815 Y N -0.898 119.308 120.300 -0.157 0.000 4.656 815 Y HA -0.333 4.216 4.550 -0.002 0.000 0.221 815 Y C 0.815 176.591 175.900 -0.207 0.000 1.045 815 Y CA 0.582 58.566 58.100 -0.192 0.000 1.926 815 Y CB -2.242 36.074 38.460 -0.240 0.000 1.618 815 Y HN 0.391 nan 8.280 nan 0.000 0.615 816 Q N -0.201 119.546 119.800 -0.087 0.000 2.274 816 Q HA 0.586 4.925 4.340 -0.002 0.000 0.260 816 Q C -0.394 175.472 176.000 -0.224 0.000 0.974 816 Q CA -0.820 54.900 55.803 -0.138 0.000 0.876 816 Q CB 2.865 31.541 28.738 -0.103 0.000 1.297 816 Q HN 0.111 nan 8.270 nan 0.000 0.446 817 V N 4.026 123.750 119.914 -0.317 0.000 2.334 817 V HA 0.238 4.356 4.120 -0.002 0.000 0.267 817 V C -0.526 175.358 176.094 -0.350 0.000 1.040 817 V CA -0.060 61.994 62.300 -0.411 0.000 0.866 817 V CB 0.314 31.738 31.823 -0.666 0.000 1.019 817 V HN 0.619 nan 8.190 nan 0.000 0.468 818 K N 4.859 124.996 120.400 -0.440 0.000 2.179 818 K HA 0.530 4.849 4.320 -0.002 0.000 0.238 818 K C -0.479 175.957 176.600 -0.274 0.000 1.033 818 K CA -0.813 55.270 56.287 -0.340 0.000 0.926 818 K CB 1.094 33.406 32.500 -0.313 0.000 1.151 818 K HN 0.565 nan 8.250 nan 0.000 0.492 819 K N 0.495 120.854 120.400 -0.068 0.000 2.156 819 K HA 0.448 4.767 4.320 -0.002 0.000 0.271 819 K C 0.005 176.713 176.600 0.179 0.000 0.995 819 K CA -0.367 55.945 56.287 0.042 0.000 0.890 819 K CB 1.476 33.991 32.500 0.026 0.000 1.073 819 K HN 0.815 nan 8.250 nan 0.000 0.454 820 G N 0.251 109.176 108.800 0.210 0.000 2.526 820 G HA2 -0.134 3.825 3.960 -0.002 0.000 0.250 820 G HA3 -0.134 3.825 3.960 -0.002 0.000 0.250 820 G C -1.444 173.632 174.900 0.294 0.000 1.289 820 G CA -1.001 44.220 45.100 0.202 0.000 0.947 820 G HN 0.418 nan 8.290 nan 0.000 0.517 821 V N 0.300 120.242 119.914 0.047 0.000 2.569 821 V HA 0.523 4.642 4.120 -0.002 0.000 0.301 821 V C 1.029 176.969 176.094 -0.256 0.000 1.044 821 V CA -0.247 62.005 62.300 -0.080 0.000 0.874 821 V CB 0.896 32.745 31.823 0.043 0.000 1.002 821 V HN 1.760 nan 8.190 nan 0.000 0.424 822 C N 1.633 120.642 119.300 -0.485 0.000 2.480 822 C HA 0.513 4.972 4.460 -0.002 0.000 0.358 822 C C 1.470 176.345 174.990 -0.191 0.000 1.309 822 C CA -0.295 58.525 59.018 -0.331 0.000 2.465 822 C CB 0.694 28.217 27.740 -0.362 0.000 2.379 822 C HN 0.824 nan 8.230 nan 0.000 0.642 823 D N -0.514 119.783 120.400 -0.171 0.000 2.234 823 D HA -0.008 4.631 4.640 -0.002 0.000 0.205 823 D C 0.754 176.920 176.300 -0.224 0.000 0.962 823 D CA 0.974 54.878 54.000 -0.160 0.000 0.855 823 D CB -0.216 40.504 40.800 -0.134 0.000 0.951 823 D HN 0.706 nan 8.370 nan 0.000 0.500 824 Q N 0.572 120.190 119.800 -0.303 0.000 2.274 824 Q HA 0.101 4.440 4.340 -0.002 0.000 0.280 824 Q C 1.083 176.737 176.000 -0.577 0.000 1.047 824 Q CA 0.032 55.505 55.803 -0.550 0.000 0.907 824 Q CB 0.923 29.178 28.738 -0.806 0.000 1.171 824 Q HN 0.125 nan 8.270 nan 0.000 0.381 825 S N 2.046 117.440 115.700 -0.511 0.000 2.497 825 S HA 0.023 4.492 4.470 -0.002 0.000 0.221 825 S C 0.696 175.258 174.600 -0.062 0.000 1.037 825 S CA 0.083 58.140 58.200 -0.238 0.000 0.920 825 S CB 0.035 63.125 63.200 -0.183 0.000 0.800 825 S HN 0.778 nan 8.310 nan 0.000 0.505 826 F N 1.006 120.925 119.950 -0.053 0.000 2.612 826 F HA -0.297 4.229 4.527 -0.002 0.000 0.593 826 F C 1.970 177.768 175.800 -0.004 0.000 0.503 826 F CA 0.680 58.665 58.000 -0.025 0.000 0.825 826 F CB -2.000 36.983 39.000 -0.027 0.000 1.657 826 F HN 0.370 nan 8.300 nan 0.000 0.258 827 G N 0.317 109.193 108.800 0.127 0.000 2.507 827 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.221 827 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.221 827 G C 1.423 176.309 174.900 -0.023 0.000 1.119 827 G CA 1.595 46.720 45.100 0.041 0.000 0.751 827 G HN 0.540 nan 8.290 nan 0.000 0.574 828 I N -0.697 119.850 120.570 -0.039 0.000 2.500 828 I HA -0.082 4.087 4.170 -0.002 0.000 0.252 828 I C 2.416 178.497 176.117 -0.061 0.000 1.142 828 I CA 0.843 62.084 61.300 -0.099 0.000 1.451 828 I CB -0.362 37.580 38.000 -0.097 0.000 1.093 828 I HN 0.224 nan 8.210 nan 0.000 0.430 829 H N 1.113 120.150 119.070 -0.056 0.000 2.462 829 H HA -0.054 4.501 4.556 -0.002 0.000 0.292 829 H C 2.106 177.425 175.328 -0.014 0.000 1.049 829 H CA 1.280 57.314 56.048 -0.022 0.000 1.334 829 H CB 0.474 30.253 29.762 0.029 0.000 1.404 829 H HN 0.141 nan 8.280 nan 0.000 0.544 830 V N 0.955 120.868 119.914 -0.002 0.000 2.548 830 V HA -0.160 3.959 4.120 -0.002 0.000 0.249 830 V C 2.938 178.981 176.094 -0.085 0.000 1.055 830 V CA 1.247 63.526 62.300 -0.035 0.000 1.065 830 V CB -0.906 30.930 31.823 0.020 0.000 0.681 830 V HN 0.504 nan 8.190 nan 0.000 0.462 831 A N -0.151 122.565 122.820 -0.172 0.000 1.929 831 A HA -0.208 4.111 4.320 -0.002 0.000 0.216 831 A C 2.279 179.775 177.584 -0.147 0.000 1.176 831 A CA 1.680 53.521 52.037 -0.328 0.000 0.628 831 A CB -0.392 18.100 19.000 -0.847 0.000 0.816 831 A HN 0.575 nan 8.150 nan 0.000 0.444 832 E N -0.801 119.289 120.200 -0.182 0.000 2.208 832 E HA -0.125 4.224 4.350 -0.002 0.000 0.193 832 E C 1.650 178.182 176.600 -0.113 0.000 0.988 832 E CA 0.798 57.129 56.400 -0.116 0.000 0.828 832 E CB -0.065 29.546 29.700 -0.149 0.000 0.763 832 E HN 0.418 nan 8.360 nan 0.000 0.478 833 L N 0.018 121.126 121.223 -0.192 0.000 2.418 833 L HA 0.165 4.504 4.340 -0.002 0.000 0.218 833 L C 1.644 178.495 176.870 -0.033 0.000 1.125 833 L CA 1.205 55.954 54.840 -0.151 0.000 0.835 833 L CB 0.018 41.946 42.059 -0.219 0.000 0.953 833 L HN 0.098 nan 8.230 nan 0.000 0.454 834 A N -0.710 122.132 122.820 0.037 0.000 2.379 834 A HA 0.188 4.507 4.320 -0.002 0.000 0.236 834 A C 0.737 178.379 177.584 0.096 0.000 1.272 834 A CA 0.232 52.322 52.037 0.088 0.000 0.886 834 A CB -0.645 18.448 19.000 0.155 0.000 0.962 834 A HN 0.511 nan 8.150 nan 0.000 0.504 835 N N -1.117 117.636 118.700 0.089 0.000 2.699 835 N HA -0.165 4.574 4.740 -0.002 0.000 0.257 835 N C -0.856 174.687 175.510 0.054 0.000 1.077 835 N CA 0.452 53.534 53.050 0.054 0.000 0.702 835 N CB -2.200 36.287 38.487 0.001 0.000 0.886 835 N HN 0.400 nan 8.380 nan 0.000 0.549 836 F N 0.732 120.641 119.950 -0.068 0.000 2.382 836 F HA 0.394 4.920 4.527 -0.002 0.000 0.331 836 F C -1.011 174.729 175.800 -0.100 0.000 1.121 836 F CA -1.472 56.479 58.000 -0.081 0.000 1.183 836 F CB 0.512 39.462 39.000 -0.084 0.000 1.207 836 F HN 0.125 nan 8.300 nan 0.000 0.555 837 P HA -0.014 nan 4.420 nan 0.000 0.266 837 P C 0.012 177.249 177.300 -0.106 0.000 1.195 837 P CA -0.099 62.934 63.100 -0.111 0.000 0.768 837 P CB 0.517 32.046 31.700 -0.285 0.000 0.838 838 K N 3.160 123.540 120.400 -0.032 0.000 2.173 838 K HA -0.266 4.053 4.320 -0.002 0.000 0.207 838 K C 1.500 178.120 176.600 0.034 0.000 1.046 838 K CA 1.798 58.097 56.287 0.020 0.000 0.929 838 K CB -0.660 31.877 32.500 0.062 0.000 0.720 838 K HN 0.627 nan 8.250 nan 0.000 0.453 839 H N -0.056 119.038 119.070 0.039 0.000 2.497 839 H HA 0.112 4.667 4.556 -0.002 0.000 0.282 839 H C 1.966 177.321 175.328 0.044 0.000 1.003 839 H CA 0.636 56.704 56.048 0.033 0.000 1.307 839 H CB -0.307 29.470 29.762 0.025 0.000 1.437 839 H HN 0.057 nan 8.280 nan 0.000 0.544 840 V N 1.445 121.152 119.914 -0.345 0.000 2.453 840 V HA -0.172 3.947 4.120 -0.002 0.000 0.247 840 V C 2.691 178.778 176.094 -0.011 0.000 1.048 840 V CA 1.325 63.554 62.300 -0.120 0.000 1.049 840 V CB -0.574 31.186 31.823 -0.105 0.000 0.672 840 V HN 0.249 nan 8.190 nan 0.000 0.457 841 I N 0.451 121.011 120.570 -0.016 0.000 2.394 841 I HA -0.187 3.982 4.170 -0.002 0.000 0.251 841 I C 2.297 178.386 176.117 -0.047 0.000 1.136 841 I CA 1.673 62.940 61.300 -0.055 0.000 1.425 841 I CB -0.306 37.670 38.000 -0.040 0.000 1.079 841 I HN 0.368 nan 8.210 nan 0.000 0.425 842 E N -0.893 119.301 120.200 -0.010 0.000 2.208 842 E HA -0.209 4.140 4.350 -0.002 0.000 0.193 842 E C 2.307 178.908 176.600 0.001 0.000 0.988 842 E CA 1.140 57.540 56.400 0.000 0.000 0.828 842 E CB -0.355 29.360 29.700 0.024 0.000 0.763 842 E HN 0.605 nan 8.360 nan 0.000 0.478 843 C N 0.647 119.955 119.300 0.013 0.000 2.450 843 C HA 0.071 4.530 4.460 -0.002 0.000 0.279 843 C C 2.774 177.761 174.990 -0.006 0.000 1.335 843 C CA 0.953 59.982 59.018 0.018 0.000 1.749 843 C CB -0.780 26.988 27.740 0.046 0.000 1.963 843 C HN 0.465 nan 8.230 nan 0.000 0.501 844 A N 0.088 122.890 122.820 -0.031 0.000 2.014 844 A HA -0.066 4.253 4.320 -0.002 0.000 0.218 844 A C 2.201 179.750 177.584 -0.058 0.000 1.163 844 A CA 1.254 53.257 52.037 -0.057 0.000 0.652 844 A CB -0.438 18.494 19.000 -0.113 0.000 0.808 844 A HN 0.742 nan 8.150 nan 0.000 0.449 845 K N -0.341 120.029 120.400 -0.051 0.000 2.103 845 K HA -0.131 4.188 4.320 -0.002 0.000 0.204 845 K C 2.176 178.753 176.600 -0.038 0.000 1.052 845 K CA 1.468 57.725 56.287 -0.049 0.000 0.945 845 K CB -0.169 32.306 32.500 -0.041 0.000 0.722 845 K HN 0.604 nan 8.250 nan 0.000 0.443 846 Q N 0.585 120.370 119.800 -0.025 0.000 2.124 846 Q HA -0.085 4.254 4.340 -0.002 0.000 0.202 846 Q C 1.558 177.547 176.000 -0.018 0.000 0.977 846 Q CA 1.017 56.810 55.803 -0.017 0.000 0.850 846 Q CB 0.142 28.877 28.738 -0.006 0.000 0.901 846 Q HN 0.050 nan 8.270 nan 0.000 0.429 847 K N -0.308 120.080 120.400 -0.019 0.000 2.393 847 K HA 0.167 4.486 4.320 -0.002 0.000 0.193 847 K C 1.435 178.019 176.600 -0.027 0.000 1.026 847 K CA 0.554 56.831 56.287 -0.016 0.000 1.064 847 K CB 0.512 33.007 32.500 -0.008 0.000 0.833 847 K HN 0.129 nan 8.250 nan 0.000 0.521 848 A N 0.753 123.548 122.820 -0.041 0.000 1.943 848 A HA 0.072 4.391 4.320 -0.002 0.000 0.213 848 A C 2.014 179.563 177.584 -0.059 0.000 1.181 848 A CA 0.411 52.413 52.037 -0.058 0.000 0.653 848 A CB -0.256 18.699 19.000 -0.076 0.000 0.833 848 A HN 0.143 nan 8.150 nan 0.000 0.451 849 L N -0.220 120.973 121.223 -0.049 0.000 2.376 849 L HA -0.067 4.272 4.340 -0.002 0.000 0.219 849 L C 1.525 178.375 176.870 -0.034 0.000 1.133 849 L CA 0.762 55.574 54.840 -0.046 0.000 0.816 849 L CB -0.322 41.713 42.059 -0.040 0.000 0.933 849 L HN 0.432 nan 8.230 nan 0.000 0.449 850 E N -0.092 120.092 120.200 -0.027 0.000 2.403 850 E HA 0.041 4.390 4.350 -0.002 0.000 0.187 850 E C 1.433 178.026 176.600 -0.013 0.000 1.073 850 E CA 0.091 56.481 56.400 -0.016 0.000 0.888 850 E CB 0.326 30.021 29.700 -0.009 0.000 1.035 850 E HN 0.536 nan 8.360 nan 0.000 0.471 851 L N -0.697 120.512 121.223 -0.023 0.000 2.685 851 L HA 0.125 4.464 4.340 -0.002 0.000 0.235 851 L C 1.730 178.587 176.870 -0.021 0.000 1.070 851 L CA 0.159 54.990 54.840 -0.016 0.000 0.888 851 L CB 0.285 42.330 42.059 -0.024 0.000 1.203 851 L HN 0.009 nan 8.230 nan 0.000 0.499 852 E N 1.096 121.272 120.200 -0.039 0.000 2.427 852 E HA -0.174 4.175 4.350 -0.002 0.000 0.196 852 E C 1.593 178.178 176.600 -0.025 0.000 1.028 852 E CA 0.829 57.204 56.400 -0.041 0.000 0.864 852 E CB 0.218 29.882 29.700 -0.059 0.000 0.813 852 E HN 0.562 nan 8.360 nan 0.000 0.514 853 E N -0.236 119.953 120.200 -0.019 0.000 2.208 853 E HA -0.129 4.220 4.350 -0.002 0.000 0.193 853 E C 0.441 177.037 176.600 -0.007 0.000 0.988 853 E CA 0.769 57.161 56.400 -0.013 0.000 0.828 853 E CB 0.030 29.723 29.700 -0.012 0.000 0.763 853 E HN 0.160 nan 8.360 nan 0.000 0.478 854 F N 0.696 120.645 119.950 -0.002 0.000 3.228 854 F HA 0.682 5.208 4.527 -0.002 0.000 0.385 854 F C -0.117 175.688 175.800 0.009 0.000 1.247 854 F CA -0.477 57.525 58.000 0.002 0.000 1.211 854 F CB 0.464 39.465 39.000 0.002 0.000 1.719 854 F HN 0.271 nan 8.300 nan 0.000 0.630 855 Q N 0.000 119.809 119.800 0.015 0.000 2.315 855 Q HA 0.000 4.339 4.340 -0.002 0.000 0.214 855 Q CA 0.000 55.825 55.803 0.036 0.000 1.022 855 Q CB 0.000 28.775 28.738 0.061 0.000 1.108 855 Q HN 0.000 nan 8.270 nan 0.000 0.481