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 1vb9_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLLEAIFHEA KGSYAYPISE TQLRVRLRAK KGDVVRCEVL YADRYASPEE DATA SEQUENCE ELAHALAGKA GSDERFDYFE ALLECSTKRV KYVFLLTGPQ GEAVYFGETG DATA SEQUENCE FSAERSKAGV FQYAYIHRSE VFTTPEWAKE AVIYQIFPER FANGDPSNDP DATA SEQUENCE PGTEQWAKDA RPRHDSFYGG DLKGVIDRLP YLEELGVTAL YFTPIFASPS DATA SEQUENCE HHKYDTADYL AIDPQFGDLP TFRRLVDEAH RRGIKIILDA VFNHAGDQFF DATA SEQUENCE AFRDVLQKGE QSRYKDWFFI EDFPVSKTSR TNYETFAVQV PAMPKLRTEN DATA SEQUENCE PEVKEYLFDV ARFWMEQGID GWRLNVANEV DHAFWREFRR LVKSLNPDAL DATA SEQUENCE IVGEIWHDAS GWLMGDQFDS VMNYLFRESV IRFFATGEIH AERFDAELTR DATA SEQUENCE ARMLYPEQAA QGLWNLLDSH DTERFLTSCG GNEAKFRLAV LFQMTYLGTP DATA SEQUENCE LIYYGDEIGM AGATDPDCRR PMIWEEKEQN RGLFEFYKEL IRLRHRLASL DATA SEQUENCE TRGNVRSWHA DKQANLYAFV RTVQDQHVGV VLNNRGEKQT VLLQVPESGG DATA SEQUENCE KTWLDCLTGE EVHGKQGQLK LTLRPYQGMI LWNGR 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 0.000 176.232 176.300 -0.114 0.000 1.140 1 M CA 0.000 55.256 55.300 -0.073 0.000 0.988 1 M CB 0.000 32.556 32.600 -0.073 0.000 1.302 2 L N 3.262 124.427 121.223 -0.097 0.000 2.363 2 L HA 0.270 4.611 4.340 0.001 0.000 0.286 2 L C 1.042 177.802 176.870 -0.183 0.000 1.106 2 L CA -0.269 54.503 54.840 -0.114 0.000 0.859 2 L CB 0.629 42.651 42.059 -0.062 0.000 1.223 2 L HN 0.751 nan 8.230 nan 0.000 0.446 3 L N 1.935 122.967 121.223 -0.318 0.000 2.201 3 L HA -0.167 4.174 4.340 0.001 0.000 0.212 3 L C 1.788 178.480 176.870 -0.297 0.000 1.105 3 L CA 0.829 55.314 54.840 -0.592 0.000 0.775 3 L CB -0.250 41.230 42.059 -0.964 0.000 0.913 3 L HN 0.628 nan 8.230 nan 0.000 0.440 4 E N 0.624 120.741 120.200 -0.139 0.000 2.333 4 E HA -0.150 4.201 4.350 0.001 0.000 0.198 4 E C 1.892 178.518 176.600 0.043 0.000 1.007 4 E CA 1.112 57.501 56.400 -0.019 0.000 0.845 4 E CB -0.125 29.571 29.700 -0.007 0.000 0.766 4 E HN 0.457 nan 8.360 nan 0.000 0.507 5 A N 0.015 122.860 122.820 0.042 0.000 2.348 5 A HA 0.228 4.548 4.320 0.001 0.000 0.224 5 A C 0.566 178.233 177.584 0.138 0.000 1.227 5 A CA -0.276 51.863 52.037 0.169 0.000 0.885 5 A CB 0.114 19.239 19.000 0.209 0.000 0.933 5 A HN 0.072 nan 8.150 nan 0.000 0.506 6 I N 0.021 120.618 120.570 0.046 0.000 2.365 6 I HA 0.442 4.612 4.170 0.001 0.000 0.291 6 I C -0.566 175.609 176.117 0.097 0.000 1.004 6 I CA -0.278 61.029 61.300 0.012 0.000 1.311 6 I CB 1.075 39.006 38.000 -0.114 0.000 1.401 6 I HN 0.286 nan 8.210 nan 0.000 0.491 7 F N 6.513 126.424 119.950 -0.065 0.000 2.608 7 F HA 0.558 5.086 4.527 0.001 0.000 0.309 7 F C -1.025 174.801 175.800 0.043 0.000 1.103 7 F CA -0.329 57.664 58.000 -0.011 0.000 0.954 7 F CB 1.536 40.413 39.000 -0.205 0.000 1.267 7 F HN 0.487 nan 8.300 nan 0.000 0.444 8 H N 3.681 121.990 119.070 -1.269 0.000 3.094 8 H HA 0.371 4.928 4.556 0.002 0.000 0.346 8 H C -2.121 172.418 175.328 -1.316 0.000 1.238 8 H CA -0.507 54.855 56.048 -1.144 0.000 1.209 8 H CB 2.429 31.791 29.762 -0.667 0.000 1.911 8 H HN 0.846 nan 8.280 nan 0.000 0.540 9 E N 2.245 121.409 120.200 -1.727 0.000 2.343 9 E HA 0.588 4.939 4.350 0.001 0.000 0.278 9 E C -1.271 174.849 176.600 -0.800 0.000 0.910 9 E CA -1.193 54.648 56.400 -0.931 0.000 0.757 9 E CB 2.141 31.627 29.700 -0.357 0.000 1.218 9 E HN 0.530 nan 8.360 nan 0.000 0.435 10 A N 3.819 126.488 122.820 -0.252 0.000 3.074 10 A HA 0.224 4.545 4.320 0.001 0.000 0.251 10 A C -0.110 177.630 177.584 0.260 0.000 1.695 10 A CA 0.312 52.453 52.037 0.173 0.000 1.343 10 A CB -0.915 18.290 19.000 0.342 0.000 1.078 10 A HN 0.623 nan 8.150 nan 0.000 0.644 11 K N -2.273 118.250 120.400 0.204 0.000 2.886 11 K HA 0.595 4.916 4.320 0.001 0.000 0.291 11 K C 0.618 177.380 176.600 0.271 0.000 1.057 11 K CA -0.494 55.956 56.287 0.272 0.000 0.797 11 K CB -0.336 32.260 32.500 0.159 0.000 1.490 11 K HN 1.370 nan 8.250 nan 0.000 0.365 12 G N 0.819 109.767 108.800 0.247 0.000 2.629 12 G HA2 -0.359 3.602 3.960 0.001 0.000 0.313 12 G HA3 -0.359 3.602 3.960 0.001 0.000 0.313 12 G C 0.622 175.703 174.900 0.301 0.000 1.217 12 G CA 0.720 45.961 45.100 0.236 0.000 0.994 12 G HN 0.717 nan 8.290 nan 0.000 0.549 13 S N -0.160 115.737 115.700 0.329 0.000 2.556 13 S HA 0.313 4.784 4.470 0.001 0.000 0.216 13 S C 1.357 176.069 174.600 0.188 0.000 0.970 13 S CA 0.921 59.284 58.200 0.272 0.000 0.912 13 S CB 0.103 63.396 63.200 0.155 0.000 0.790 13 S HN 0.473 nan 8.310 nan 0.000 0.504 14 Y N 1.365 121.814 120.300 0.248 0.000 2.458 14 Y HA 0.537 5.088 4.550 0.001 0.000 0.254 14 Y C 0.781 176.742 175.900 0.103 0.000 1.120 14 Y CA -0.072 58.112 58.100 0.142 0.000 1.282 14 Y CB 0.620 39.055 38.460 -0.042 0.000 1.109 14 Y HN 0.208 nan 8.280 nan 0.000 0.526 15 A N 0.200 123.154 122.820 0.222 0.000 2.513 15 A HA 0.618 4.938 4.320 0.001 0.000 0.285 15 A C -1.870 175.766 177.584 0.086 0.000 1.047 15 A CA -0.525 51.550 52.037 0.063 0.000 0.864 15 A CB -0.119 19.029 19.000 0.247 0.000 1.373 15 A HN 0.247 nan 8.150 nan 0.000 0.403 16 Y N 0.753 120.963 120.300 -0.150 0.000 2.558 16 Y HA 0.825 5.376 4.550 0.002 0.000 0.333 16 Y C -3.334 172.441 175.900 -0.209 0.000 1.125 16 Y CA -2.644 55.376 58.100 -0.132 0.000 1.039 16 Y CB 1.292 39.780 38.460 0.047 0.000 1.331 16 Y HN 0.381 nan 8.280 nan 0.000 0.456 17 P HA 0.309 nan 4.420 nan 0.000 0.278 17 P C 0.301 177.680 177.300 0.132 0.000 1.238 17 P CA -0.329 62.745 63.100 -0.045 0.000 0.794 17 P CB 2.198 33.899 31.700 0.002 0.000 0.955 18 I N -0.781 119.812 120.570 0.039 0.000 4.139 18 I HA 0.242 4.413 4.170 0.001 0.000 0.335 18 I C 0.290 176.436 176.117 0.047 0.000 1.327 18 I CA -0.167 61.182 61.300 0.083 0.000 1.112 18 I CB 0.284 38.306 38.000 0.037 0.000 1.058 18 I HN 0.327 nan 8.210 nan 0.000 0.396 19 S N -0.493 115.222 115.700 0.026 0.000 2.636 19 S HA 0.243 4.714 4.470 0.001 0.000 0.268 19 S C 0.350 174.962 174.600 0.020 0.000 1.159 19 S CA -0.382 57.834 58.200 0.025 0.000 0.815 19 S CB 1.567 64.770 63.200 0.005 0.000 1.130 19 S HN 0.247 nan 8.310 nan 0.000 0.471 20 E N 0.156 120.371 120.200 0.025 0.000 2.333 20 E HA -0.100 4.251 4.350 0.001 0.000 0.198 20 E C 1.067 177.652 176.600 -0.026 0.000 1.007 20 E CA 1.712 58.123 56.400 0.018 0.000 0.845 20 E CB -0.138 29.580 29.700 0.029 0.000 0.766 20 E HN 0.778 nan 8.360 nan 0.000 0.507 21 T N -2.979 111.555 114.554 -0.032 0.000 3.111 21 T HA 0.236 4.587 4.350 0.001 0.000 0.284 21 T C 0.108 174.768 174.700 -0.066 0.000 0.983 21 T CA -0.580 61.489 62.100 -0.050 0.000 0.900 21 T CB 0.416 69.265 68.868 -0.031 0.000 1.132 21 T HN -0.051 nan 8.240 nan 0.000 0.531 22 Q N 1.032 120.783 119.800 -0.082 0.000 2.321 22 Q HA 0.663 5.003 4.340 0.001 0.000 0.270 22 Q C -1.926 173.959 176.000 -0.192 0.000 1.032 22 Q CA -0.877 54.852 55.803 -0.124 0.000 0.784 22 Q CB 2.870 31.553 28.738 -0.092 0.000 1.264 22 Q HN 0.223 nan 8.270 nan 0.000 0.448 23 L N 2.497 123.547 121.223 -0.289 0.000 2.305 23 L HA 0.505 4.846 4.340 0.001 0.000 0.284 23 L C -0.866 175.729 176.870 -0.457 0.000 1.013 23 L CA -0.409 54.182 54.840 -0.415 0.000 0.819 23 L CB 1.203 42.957 42.059 -0.508 0.000 1.227 23 L HN 0.455 nan 8.230 nan 0.000 0.417 24 R N 3.831 124.004 120.500 -0.545 0.000 2.308 24 R HA 0.681 5.022 4.340 0.001 0.000 0.305 24 R C -1.273 174.692 176.300 -0.558 0.000 1.053 24 R CA -0.307 55.456 56.100 -0.562 0.000 0.957 24 R CB 0.943 30.786 30.300 -0.762 0.000 1.022 24 R HN 0.508 nan 8.270 nan 0.000 0.461 25 V N 1.500 121.209 119.914 -0.342 0.000 2.823 25 V HA 0.747 4.868 4.120 0.001 0.000 0.312 25 V C -0.641 175.467 176.094 0.023 0.000 1.072 25 V CA -1.010 61.203 62.300 -0.146 0.000 0.937 25 V CB 2.181 33.871 31.823 -0.222 0.000 1.013 25 V HN 0.784 nan 8.190 nan 0.000 0.430 26 R N 2.856 123.472 120.500 0.193 0.000 2.795 26 R HA 0.853 5.194 4.340 0.001 0.000 0.275 26 R C -1.614 174.954 176.300 0.446 0.000 0.981 26 R CA -0.805 55.424 56.100 0.214 0.000 0.917 26 R CB 2.754 33.038 30.300 -0.028 0.000 1.202 26 R HN 0.885 nan 8.270 nan 0.000 0.469 27 L N 1.465 122.903 121.223 0.358 0.000 2.482 27 L HA 0.586 4.926 4.340 0.001 0.000 0.263 27 L C -1.274 175.790 176.870 0.322 0.000 0.957 27 L CA -0.794 54.214 54.840 0.280 0.000 0.836 27 L CB 2.180 44.147 42.059 -0.153 0.000 1.324 27 L HN 0.728 nan 8.230 nan 0.000 0.406 28 R N 4.104 124.742 120.500 0.231 0.000 2.778 28 R HA 0.998 5.338 4.340 0.001 0.000 0.277 28 R C -1.395 174.932 176.300 0.045 0.000 0.977 28 R CA -0.488 55.600 56.100 -0.020 0.000 0.950 28 R CB 2.052 32.109 30.300 -0.405 0.000 1.165 28 R HN 0.685 nan 8.270 nan 0.000 0.474 29 A N 1.622 124.514 122.820 0.121 0.000 2.594 29 A HA 0.425 4.746 4.320 0.001 0.000 0.291 29 A C -1.274 176.490 177.584 0.299 0.000 1.105 29 A CA -1.074 51.082 52.037 0.198 0.000 0.694 29 A CB 1.461 20.585 19.000 0.207 0.000 1.291 29 A HN 0.833 nan 8.150 nan 0.000 0.410 30 K N 1.157 121.694 120.400 0.228 0.000 2.484 30 K HA 0.022 4.343 4.320 0.001 0.000 0.280 30 K C 0.174 176.816 176.600 0.070 0.000 1.013 30 K CA 0.144 56.494 56.287 0.106 0.000 1.029 30 K CB 0.262 32.772 32.500 0.017 0.000 0.902 30 K HN 0.625 nan 8.250 nan 0.000 0.481 31 K N 3.041 123.439 120.400 -0.003 0.000 2.504 31 K HA -0.119 4.202 4.320 0.001 0.000 0.278 31 K C 0.729 177.344 176.600 0.025 0.000 1.025 31 K CA 1.366 57.658 56.287 0.009 0.000 1.093 31 K CB -0.149 32.329 32.500 -0.037 0.000 0.873 31 K HN 0.885 nan 8.250 nan 0.000 0.483 32 G N 3.730 112.568 108.800 0.063 0.000 2.225 32 G HA2 -0.282 3.679 3.960 0.001 0.000 0.254 32 G HA3 -0.282 3.679 3.960 0.001 0.000 0.254 32 G C 0.616 175.560 174.900 0.072 0.000 0.988 32 G CA 0.461 45.600 45.100 0.064 0.000 0.625 32 G HN 0.780 nan 8.290 nan 0.000 0.527 33 D N -0.215 120.232 120.400 0.079 0.000 2.149 33 D HA 0.185 4.825 4.640 0.001 0.000 0.201 33 D C 1.326 177.665 176.300 0.066 0.000 0.972 33 D CA 1.337 55.371 54.000 0.056 0.000 0.835 33 D CB 0.186 41.011 40.800 0.041 0.000 0.966 33 D HN 0.394 nan 8.370 nan 0.000 0.476 34 V N 0.617 120.612 119.914 0.135 0.000 2.459 34 V HA 0.199 4.319 4.120 0.001 0.000 0.295 34 V C 0.946 177.138 176.094 0.164 0.000 1.029 34 V CA -0.442 61.903 62.300 0.074 0.000 0.874 34 V CB 2.329 34.111 31.823 -0.068 0.000 0.985 34 V HN -0.193 nan 8.190 nan 0.000 0.438 35 V N 4.048 123.999 119.914 0.061 0.000 3.523 35 V HA 0.306 4.427 4.120 0.001 0.000 0.255 35 V C 0.723 176.853 176.094 0.060 0.000 1.226 35 V CA 0.569 62.933 62.300 0.105 0.000 1.092 35 V CB 0.304 32.167 31.823 0.067 0.000 0.817 35 V HN 0.796 nan 8.190 nan 0.000 0.458 36 R N -0.393 120.065 120.500 -0.070 0.000 2.533 36 R HA 0.539 4.880 4.340 0.001 0.000 0.288 36 R C -1.821 174.333 176.300 -0.244 0.000 1.039 36 R CA -0.282 55.760 56.100 -0.097 0.000 0.909 36 R CB 1.790 32.072 30.300 -0.031 0.000 1.195 36 R HN 0.229 nan 8.270 nan 0.000 0.438 37 C N 4.204 123.328 119.300 -0.293 0.000 2.344 37 C HA 0.518 4.979 4.460 0.001 0.000 0.326 37 C C -0.641 174.338 174.990 -0.018 0.000 1.201 37 C CA -0.276 58.578 59.018 -0.274 0.000 1.410 37 C CB 0.715 28.065 27.740 -0.650 0.000 2.070 37 C HN 0.969 nan 8.230 nan 0.000 0.445 38 E N 3.801 124.032 120.200 0.051 0.000 2.227 38 E HA 0.714 5.065 4.350 0.001 0.000 0.268 38 E C -1.344 175.315 176.600 0.099 0.000 0.907 38 E CA -0.511 55.942 56.400 0.088 0.000 0.786 38 E CB 2.066 31.817 29.700 0.084 0.000 1.191 38 E HN 0.592 nan 8.360 nan 0.000 0.411 39 V N 4.468 124.411 119.914 0.049 0.000 2.417 39 V HA 0.324 4.445 4.120 0.001 0.000 0.291 39 V C -0.573 175.536 176.094 0.024 0.000 1.024 39 V CA -0.916 61.338 62.300 -0.075 0.000 0.861 39 V CB 1.234 32.914 31.823 -0.238 0.000 0.985 39 V HN 0.548 nan 8.190 nan 0.000 0.436 40 L N 6.659 127.872 121.223 -0.016 0.000 2.280 40 L HA 0.617 4.958 4.340 0.001 0.000 0.287 40 L C -0.455 176.453 176.870 0.064 0.000 1.023 40 L CA -0.305 54.487 54.840 -0.081 0.000 0.819 40 L CB 0.500 42.490 42.059 -0.115 0.000 1.212 40 L HN 0.867 nan 8.230 nan 0.000 0.420 41 Y N 1.192 121.413 120.300 -0.132 0.000 2.638 41 Y HA 0.960 5.511 4.550 0.002 0.000 0.339 41 Y C -0.648 175.225 175.900 -0.046 0.000 1.084 41 Y CA -1.210 56.857 58.100 -0.055 0.000 1.068 41 Y CB 1.946 40.380 38.460 -0.044 0.000 1.294 41 Y HN 0.638 nan 8.280 nan 0.000 0.480 42 A N 0.857 123.734 122.820 0.095 0.000 2.564 42 A HA 0.441 4.762 4.320 0.001 0.000 0.291 42 A C -1.916 175.723 177.584 0.093 0.000 1.102 42 A CA -0.640 51.398 52.037 0.002 0.000 0.660 42 A CB 0.987 19.958 19.000 -0.048 0.000 1.283 42 A HN 0.905 nan 8.150 nan 0.000 0.430 43 D N -0.378 120.062 120.400 0.066 0.000 2.423 43 D HA 0.246 4.887 4.640 0.001 0.000 0.238 43 D C 1.205 177.552 176.300 0.078 0.000 1.142 43 D CA 0.114 54.172 54.000 0.096 0.000 0.884 43 D CB 0.650 41.510 40.800 0.101 0.000 1.199 43 D HN 0.435 nan 8.370 nan 0.000 0.438 44 R N 1.877 122.426 120.500 0.081 0.000 2.152 44 R HA -0.160 4.181 4.340 0.001 0.000 0.232 44 R C 0.639 176.800 176.300 -0.232 0.000 1.117 44 R CA 1.082 57.137 56.100 -0.074 0.000 0.981 44 R CB -0.146 30.085 30.300 -0.115 0.000 0.870 44 R HN 0.608 nan 8.270 nan 0.000 0.451 45 Y N -0.313 120.000 120.300 0.022 0.000 2.607 45 Y HA 0.347 4.898 4.550 0.001 0.000 0.266 45 Y C 0.575 176.477 175.900 0.003 0.000 1.178 45 Y CA -0.671 57.437 58.100 0.013 0.000 1.226 45 Y CB 0.296 38.768 38.460 0.020 0.000 1.144 45 Y HN -0.028 nan 8.280 nan 0.000 0.528 46 A N 0.379 123.252 122.820 0.089 0.000 2.462 46 A HA 0.293 4.614 4.320 0.001 0.000 0.243 46 A C 0.728 178.325 177.584 0.021 0.000 1.076 46 A CA -0.115 51.951 52.037 0.048 0.000 0.773 46 A CB 0.192 19.202 19.000 0.017 0.000 1.010 46 A HN 0.242 nan 8.150 nan 0.000 0.493 47 S N 2.692 118.404 115.700 0.019 0.000 2.572 47 S HA 0.256 4.727 4.470 0.001 0.000 0.279 47 S C -0.819 173.773 174.600 -0.013 0.000 1.341 47 S CA -0.741 57.462 58.200 0.006 0.000 1.043 47 S CB 0.459 63.663 63.200 0.007 0.000 0.887 47 S HN 0.594 nan 8.310 nan 0.000 0.516 48 P HA -0.093 nan 4.420 nan 0.000 0.221 48 P C 0.725 178.007 177.300 -0.031 0.000 1.145 48 P CA 0.940 64.020 63.100 -0.034 0.000 0.795 48 P CB 0.157 31.835 31.700 -0.036 0.000 0.775 49 E N 0.125 120.312 120.200 -0.021 0.000 2.489 49 E HA 0.022 4.373 4.350 0.001 0.000 0.193 49 E C 0.252 176.842 176.600 -0.017 0.000 1.057 49 E CA 0.086 56.475 56.400 -0.018 0.000 0.866 49 E CB 0.226 29.919 29.700 -0.012 0.000 0.916 49 E HN 0.503 nan 8.360 nan 0.000 0.500 50 E N 1.206 121.394 120.200 -0.019 0.000 2.373 50 E HA 0.075 4.426 4.350 0.001 0.000 0.263 50 E C -0.063 176.520 176.600 -0.028 0.000 1.073 50 E CA -0.269 56.119 56.400 -0.020 0.000 0.894 50 E CB 0.768 30.457 29.700 -0.019 0.000 1.008 50 E HN 0.003 nan 8.360 nan 0.000 0.420 51 E N 1.521 121.707 120.200 -0.025 0.000 2.373 51 E HA 0.125 4.475 4.350 0.001 0.000 0.267 51 E C -0.278 176.289 176.600 -0.056 0.000 1.032 51 E CA 0.041 56.428 56.400 -0.022 0.000 0.889 51 E CB 0.684 30.380 29.700 -0.007 0.000 0.984 51 E HN 0.311 nan 8.360 nan 0.000 0.425 52 L N 1.510 122.693 121.223 -0.067 0.000 2.325 52 L HA 0.412 4.753 4.340 0.001 0.000 0.279 52 L C 0.502 177.238 176.870 -0.224 0.000 1.054 52 L CA -0.798 53.938 54.840 -0.173 0.000 0.804 52 L CB 1.382 43.318 42.059 -0.205 0.000 1.200 52 L HN 0.472 nan 8.230 nan 0.000 0.436 53 A N 1.657 124.213 122.820 -0.441 0.000 2.322 53 A HA 0.518 4.839 4.320 0.001 0.000 0.269 53 A C -0.874 176.436 177.584 -0.455 0.000 1.094 53 A CA -0.209 51.522 52.037 -0.510 0.000 0.807 53 A CB 0.115 18.448 19.000 -1.110 0.000 1.047 53 A HN 0.743 nan 8.150 nan 0.000 0.487 54 H N -0.653 118.324 119.070 -0.157 0.000 2.569 54 H HA 0.721 5.278 4.556 0.001 0.000 0.357 54 H C -0.195 175.236 175.328 0.172 0.000 1.153 54 H CA 0.339 56.409 56.048 0.037 0.000 1.193 54 H CB 1.947 31.721 29.762 0.019 0.000 1.602 54 H HN 0.890 nan 8.280 nan 0.000 0.523 55 A N 2.523 125.517 122.820 0.291 0.000 2.442 55 A HA 0.431 4.751 4.320 0.001 0.000 0.284 55 A C -1.596 176.061 177.584 0.121 0.000 1.058 55 A CA -0.583 51.568 52.037 0.190 0.000 0.738 55 A CB 0.740 19.809 19.000 0.115 0.000 1.242 55 A HN 0.518 nan 8.150 nan 0.000 0.421 56 L N 2.867 124.153 121.223 0.105 0.000 2.281 56 L HA 0.693 5.034 4.340 0.001 0.000 0.285 56 L C 0.500 177.428 176.870 0.097 0.000 1.074 56 L CA 0.146 55.044 54.840 0.096 0.000 0.817 56 L CB 1.045 43.157 42.059 0.087 0.000 1.168 56 L HN 0.863 nan 8.230 nan 0.000 0.434 57 A N 4.436 127.329 122.820 0.121 0.000 2.276 57 A HA 0.669 4.990 4.320 0.001 0.000 0.300 57 A C 0.449 178.181 177.584 0.247 0.000 1.235 57 A CA 0.048 52.188 52.037 0.172 0.000 0.867 57 A CB -0.003 19.134 19.000 0.228 0.000 1.137 57 A HN 0.890 nan 8.150 nan 0.000 0.527 58 G N 1.064 109.987 108.800 0.206 0.000 2.537 58 G HA2 0.431 4.391 3.960 0.001 0.000 0.273 58 G HA3 0.431 4.391 3.960 0.001 0.000 0.273 58 G C -0.019 175.024 174.900 0.239 0.000 1.189 58 G CA -0.701 44.526 45.100 0.211 0.000 0.881 58 G HN 0.803 nan 8.290 nan 0.000 0.535 59 K N 0.715 121.209 120.400 0.156 0.000 2.292 59 K HA 0.390 4.711 4.320 0.001 0.000 0.290 59 K C 1.103 177.682 176.600 -0.035 0.000 1.083 59 K CA -0.115 56.119 56.287 -0.088 0.000 0.918 59 K CB 0.519 32.945 32.500 -0.123 0.000 1.089 59 K HN 0.384 nan 8.250 nan 0.000 0.473 60 A N 3.662 126.465 122.820 -0.027 0.000 2.167 60 A HA 0.217 4.538 4.320 0.001 0.000 0.214 60 A C 0.789 178.372 177.584 -0.002 0.000 1.151 60 A CA 0.992 53.030 52.037 0.002 0.000 0.735 60 A CB -0.049 18.957 19.000 0.009 0.000 0.802 60 A HN 0.869 nan 8.150 nan 0.000 0.467 61 G N -2.738 106.064 108.800 0.003 0.000 2.313 61 G HA2 0.462 4.423 3.960 0.001 0.000 0.296 61 G HA3 0.462 4.423 3.960 0.001 0.000 0.296 61 G C -1.288 173.691 174.900 0.132 0.000 1.356 61 G CA 0.090 45.215 45.100 0.043 0.000 0.833 61 G HN 0.531 nan 8.290 nan 0.000 0.552 62 S N 0.228 116.020 115.700 0.154 0.000 2.543 62 S HA 0.651 5.122 4.470 0.001 0.000 0.271 62 S C -0.781 173.936 174.600 0.195 0.000 1.148 62 S CA -0.505 57.816 58.200 0.202 0.000 0.914 62 S CB 2.128 65.376 63.200 0.080 0.000 1.096 62 S HN 1.059 nan 8.310 nan 0.000 0.471 63 D N 1.138 121.714 120.400 0.294 0.000 2.538 63 D HA 0.374 5.015 4.640 0.001 0.000 0.262 63 D C 1.136 177.490 176.300 0.091 0.000 1.186 63 D CA -0.472 53.643 54.000 0.193 0.000 1.090 63 D CB -0.233 40.751 40.800 0.306 0.000 1.187 63 D HN 0.356 nan 8.370 nan 0.000 0.614 64 E N -0.863 119.370 120.200 0.054 0.000 2.097 64 E HA -0.180 4.171 4.350 0.001 0.000 0.196 64 E C 1.550 178.092 176.600 -0.097 0.000 1.000 64 E CA 2.079 58.469 56.400 -0.017 0.000 0.804 64 E CB 0.071 29.759 29.700 -0.021 0.000 0.740 64 E HN 0.547 nan 8.360 nan 0.000 0.454 65 R N -2.212 118.165 120.500 -0.204 0.000 2.539 65 R HA 0.254 4.595 4.340 0.001 0.000 0.342 65 R C -0.487 175.439 176.300 -0.624 0.000 0.941 65 R CA -0.208 55.618 56.100 -0.456 0.000 1.146 65 R CB 0.147 30.054 30.300 -0.655 0.000 1.541 65 R HN -0.041 nan 8.270 nan 0.000 0.525 66 F N 0.501 120.420 119.950 -0.053 0.000 2.620 66 F HA 0.511 5.039 4.527 0.001 0.000 0.320 66 F C -0.293 175.390 175.800 -0.196 0.000 1.069 66 F CA -1.243 56.653 58.000 -0.173 0.000 0.953 66 F CB 1.649 40.417 39.000 -0.387 0.000 1.322 66 F HN -0.233 nan 8.300 nan 0.000 0.479 67 D N 0.145 120.524 120.400 -0.036 0.000 2.248 67 D HA 0.329 4.970 4.640 0.001 0.000 0.246 67 D C -1.447 174.627 176.300 -0.376 0.000 1.027 67 D CA -0.258 53.637 54.000 -0.174 0.000 0.853 67 D CB 1.606 42.270 40.800 -0.227 0.000 1.243 67 D HN 0.275 nan 8.370 nan 0.000 0.462 68 Y N 1.137 121.273 120.300 -0.272 0.000 2.328 68 Y HA 0.402 4.953 4.550 0.001 0.000 0.336 68 Y C -0.313 175.384 175.900 -0.340 0.000 0.960 68 Y CA -0.811 57.191 58.100 -0.163 0.000 1.134 68 Y CB 0.869 39.293 38.460 -0.061 0.000 1.166 68 Y HN 0.161 nan 8.280 nan 0.000 0.464 69 F N 1.824 121.881 119.950 0.179 0.000 2.421 69 F HA 0.478 5.006 4.527 0.002 0.000 0.337 69 F C 0.191 176.061 175.800 0.117 0.000 1.105 69 F CA -0.871 57.207 58.000 0.129 0.000 1.049 69 F CB 1.537 40.597 39.000 0.101 0.000 1.139 69 F HN 0.394 nan 8.300 nan 0.000 0.479 70 E N 1.696 122.042 120.200 0.244 0.000 2.272 70 E HA 0.801 5.152 4.350 0.001 0.000 0.269 70 E C -1.638 175.019 176.600 0.095 0.000 0.877 70 E CA -0.782 55.694 56.400 0.128 0.000 0.755 70 E CB 1.942 31.677 29.700 0.059 0.000 1.192 70 E HN 0.758 nan 8.360 nan 0.000 0.422 71 A N 3.176 126.010 122.820 0.023 0.000 2.566 71 A HA 0.700 5.021 4.320 0.001 0.000 0.292 71 A C -1.997 175.505 177.584 -0.137 0.000 1.112 71 A CA -0.701 51.317 52.037 -0.031 0.000 0.707 71 A CB 1.511 20.498 19.000 -0.022 0.000 1.302 71 A HN 0.460 nan 8.150 nan 0.000 0.409 72 L N 1.081 122.217 121.223 -0.145 0.000 2.325 72 L HA 0.700 5.041 4.340 0.001 0.000 0.281 72 L C -1.673 175.038 176.870 -0.266 0.000 1.004 72 L CA -0.515 54.206 54.840 -0.198 0.000 0.823 72 L CB 1.297 43.283 42.059 -0.121 0.000 1.236 72 L HN 0.521 nan 8.230 nan 0.000 0.415 73 L N 4.891 125.864 121.223 -0.416 0.000 2.282 73 L HA 0.465 4.805 4.340 0.001 0.000 0.288 73 L C 0.083 176.761 176.870 -0.321 0.000 1.033 73 L CA -0.241 54.218 54.840 -0.635 0.000 0.807 73 L CB 1.194 42.641 42.059 -1.020 0.000 1.209 73 L HN 0.485 nan 8.230 nan 0.000 0.423 74 E N 2.603 122.754 120.200 -0.081 0.000 2.052 74 E HA 0.166 4.517 4.350 0.001 0.000 0.283 74 E C -0.818 175.846 176.600 0.107 0.000 1.071 74 E CA -0.005 56.417 56.400 0.037 0.000 0.851 74 E CB 0.746 30.508 29.700 0.102 0.000 1.066 74 E HN 0.473 nan 8.360 nan 0.000 0.396 75 C N 2.958 122.265 119.300 0.011 0.000 2.566 75 C HA 0.109 4.569 4.460 0.001 0.000 0.300 75 C C 1.932 176.920 174.990 -0.003 0.000 1.147 75 C CA -0.614 58.421 59.018 0.028 0.000 1.644 75 C CB -1.189 26.535 27.740 -0.028 0.000 1.691 75 C HN 0.701 nan 8.230 nan 0.000 0.440 76 S N 1.063 116.773 115.700 0.016 0.000 2.419 76 S HA -0.197 4.273 4.470 0.001 0.000 0.235 76 S C 1.679 176.266 174.600 -0.021 0.000 1.019 76 S CA 2.121 60.319 58.200 -0.002 0.000 0.982 76 S CB -0.695 62.511 63.200 0.009 0.000 0.789 76 S HN 0.811 nan 8.310 nan 0.000 0.490 77 T N -1.223 113.322 114.554 -0.014 0.000 3.088 77 T HA 0.228 4.579 4.350 0.001 0.000 0.259 77 T C 0.759 175.383 174.700 -0.126 0.000 1.122 77 T CA 0.559 62.641 62.100 -0.030 0.000 1.095 77 T CB -0.664 68.215 68.868 0.019 0.000 0.930 77 T HN 0.552 nan 8.240 nan 0.000 0.508 78 K N 0.052 120.360 120.400 -0.153 0.000 3.446 78 K HA -0.151 4.169 4.320 0.001 0.000 0.312 78 K C -0.406 175.994 176.600 -0.333 0.000 1.329 78 K CA 0.795 56.897 56.287 -0.308 0.000 0.935 78 K CB -1.116 31.047 32.500 -0.562 0.000 1.281 78 K HN 0.527 nan 8.250 nan 0.000 0.457 79 R N 0.494 120.924 120.500 -0.116 0.000 2.532 79 R HA 0.592 4.933 4.340 0.001 0.000 0.297 79 R C -1.188 175.174 176.300 0.103 0.000 0.984 79 R CA -0.740 55.376 56.100 0.026 0.000 0.884 79 R CB 2.631 33.005 30.300 0.124 0.000 1.182 79 R HN -0.022 nan 8.270 nan 0.000 0.442 80 V N 3.142 123.155 119.914 0.164 0.000 2.888 80 V HA 0.528 4.648 4.120 0.001 0.000 0.309 80 V C -1.501 174.746 176.094 0.255 0.000 1.114 80 V CA -0.767 61.657 62.300 0.207 0.000 0.940 80 V CB 2.329 34.261 31.823 0.181 0.000 1.021 80 V HN 0.803 nan 8.190 nan 0.000 0.426 81 K N 5.681 126.206 120.400 0.209 0.000 2.316 81 K HA 0.816 5.137 4.320 0.001 0.000 0.251 81 K C -1.592 175.111 176.600 0.171 0.000 0.934 81 K CA -0.666 55.672 56.287 0.084 0.000 0.802 81 K CB 2.139 34.619 32.500 -0.033 0.000 1.171 81 K HN 0.781 nan 8.250 nan 0.000 0.426 82 Y N -1.638 118.643 120.300 -0.032 0.000 2.638 82 Y HA 0.735 5.286 4.550 0.001 0.000 0.335 82 Y C -1.719 174.076 175.900 -0.175 0.000 1.155 82 Y CA -1.405 56.630 58.100 -0.108 0.000 1.046 82 Y CB 1.430 39.767 38.460 -0.205 0.000 1.303 82 Y HN 0.398 nan 8.280 nan 0.000 0.460 83 V N 2.018 121.877 119.914 -0.092 0.000 3.049 83 V HA 0.663 4.783 4.120 0.001 0.000 0.309 83 V C -1.821 174.197 176.094 -0.127 0.000 1.148 83 V CA -1.183 61.054 62.300 -0.106 0.000 0.990 83 V CB 2.081 33.898 31.823 -0.012 0.000 1.039 83 V HN 0.705 nan 8.190 nan 0.000 0.430 84 F N 5.029 125.067 119.950 0.147 0.000 2.425 84 F HA 0.614 5.141 4.527 0.001 0.000 0.331 84 F C 0.053 175.922 175.800 0.115 0.000 1.085 84 F CA -0.609 57.475 58.000 0.141 0.000 1.028 84 F CB 1.645 40.757 39.000 0.186 0.000 1.177 84 F HN 0.274 nan 8.300 nan 0.000 0.487 85 L N 4.863 126.189 121.223 0.171 0.000 2.316 85 L HA 0.530 4.871 4.340 0.001 0.000 0.280 85 L C -1.456 175.387 176.870 -0.045 0.000 1.006 85 L CA -0.500 54.266 54.840 -0.124 0.000 0.836 85 L CB 0.831 42.753 42.059 -0.228 0.000 1.221 85 L HN 0.553 nan 8.230 nan 0.000 0.418 86 L N 4.188 125.386 121.223 -0.041 0.000 2.307 86 L HA 0.573 4.913 4.340 0.001 0.000 0.284 86 L C -0.224 176.599 176.870 -0.078 0.000 1.023 86 L CA -0.440 54.366 54.840 -0.056 0.000 0.810 86 L CB 1.886 43.946 42.059 0.000 0.000 1.231 86 L HN 0.481 nan 8.230 nan 0.000 0.423 87 T N 1.376 115.877 114.554 -0.087 0.000 2.824 87 T HA 0.535 4.885 4.350 0.001 0.000 0.282 87 T C 0.327 175.003 174.700 -0.040 0.000 0.993 87 T CA -0.534 61.531 62.100 -0.058 0.000 0.967 87 T CB 1.890 70.731 68.868 -0.047 0.000 0.960 87 T HN 0.751 nan 8.240 nan 0.000 0.441 88 G N 2.299 111.086 108.800 -0.022 0.000 2.547 88 G HA2 0.447 4.408 3.960 0.001 0.000 0.291 88 G HA3 0.447 4.408 3.960 0.001 0.000 0.291 88 G C -1.696 173.208 174.900 0.006 0.000 1.211 88 G CA -1.660 43.436 45.100 -0.006 0.000 0.950 88 G HN 0.389 nan 8.290 nan 0.000 0.504 89 P HA -0.094 nan 4.420 nan 0.000 0.217 89 P C 1.344 178.652 177.300 0.014 0.000 1.148 89 P CA 1.249 64.361 63.100 0.020 0.000 0.828 89 P CB 0.239 31.952 31.700 0.021 0.000 0.783 90 Q N -2.118 117.687 119.800 0.008 0.000 2.280 90 Q HA 0.284 4.625 4.340 0.001 0.000 0.201 90 Q C 1.129 177.133 176.000 0.006 0.000 0.890 90 Q CA 0.468 56.275 55.803 0.007 0.000 0.947 90 Q CB 0.030 28.770 28.738 0.004 0.000 1.081 90 Q HN 0.210 nan 8.270 nan 0.000 0.502 91 G N 1.639 110.442 108.800 0.004 0.000 2.195 91 G HA2 -0.266 3.695 3.960 0.001 0.000 0.246 91 G HA3 -0.266 3.695 3.960 0.001 0.000 0.246 91 G C 0.099 174.998 174.900 -0.002 0.000 0.984 91 G CA 0.234 45.335 45.100 0.002 0.000 0.633 91 G HN 0.440 nan 8.290 nan 0.000 0.525 92 E N 0.989 121.187 120.200 -0.004 0.000 2.413 92 E HA 0.534 4.885 4.350 0.001 0.000 0.263 92 E C 0.092 176.684 176.600 -0.014 0.000 1.015 92 E CA 0.538 56.935 56.400 -0.005 0.000 0.916 92 E CB 1.325 31.021 29.700 -0.007 0.000 0.947 92 E HN 1.426 nan 8.360 nan 0.000 0.440 93 A N 2.403 125.216 122.820 -0.012 0.000 2.515 93 A HA 0.726 5.047 4.320 0.001 0.000 0.296 93 A C -1.153 176.423 177.584 -0.013 0.000 1.094 93 A CA -0.513 51.501 52.037 -0.038 0.000 0.718 93 A CB 2.361 21.318 19.000 -0.072 0.000 1.307 93 A HN 0.655 nan 8.150 nan 0.000 0.408 94 V N 0.468 120.363 119.914 -0.032 0.000 3.077 94 V HA 0.578 4.699 4.120 0.001 0.000 0.299 94 V C -2.168 173.968 176.094 0.070 0.000 1.276 94 V CA -0.623 61.727 62.300 0.085 0.000 0.993 94 V CB 1.900 33.821 31.823 0.162 0.000 1.076 94 V HN 0.875 nan 8.190 nan 0.000 0.434 95 Y N 4.941 125.367 120.300 0.210 0.000 2.310 95 Y HA 0.601 5.152 4.550 0.001 0.000 0.326 95 Y C -0.260 175.823 175.900 0.305 0.000 1.151 95 Y CA -0.233 57.996 58.100 0.214 0.000 1.195 95 Y CB 1.672 40.200 38.460 0.114 0.000 1.210 95 Y HN 0.634 nan 8.280 nan 0.000 0.483 96 F N 2.759 122.857 119.950 0.247 0.000 2.553 96 F HA 0.741 5.268 4.527 0.001 0.000 0.335 96 F C -0.174 175.692 175.800 0.110 0.000 1.148 96 F CA -0.350 57.660 58.000 0.017 0.000 0.963 96 F CB 0.700 39.734 39.000 0.057 0.000 1.217 96 F HN 0.587 nan 8.300 nan 0.000 0.441 97 G N 3.721 112.285 108.800 -0.392 0.000 3.176 97 G HA2 0.153 4.114 3.960 0.001 0.000 0.272 97 G HA3 0.153 4.114 3.960 0.001 0.000 0.272 97 G C -0.052 173.993 174.900 -1.424 0.000 1.349 97 G CA -0.468 44.122 45.100 -0.850 0.000 0.953 97 G HN 0.655 nan 8.290 nan 0.000 0.559 98 E N -1.022 118.201 120.200 -1.629 0.000 2.118 98 E HA -0.151 4.200 4.350 0.001 0.000 0.195 98 E C 2.246 178.525 176.600 -0.536 0.000 0.992 98 E CA 1.901 57.582 56.400 -1.199 0.000 0.804 98 E CB -0.060 29.191 29.700 -0.748 0.000 0.741 98 E HN 0.432 nan 8.360 nan 0.000 0.458 99 T N -0.488 113.825 114.554 -0.402 0.000 2.821 99 T HA 0.122 4.473 4.350 0.001 0.000 0.267 99 T C 0.763 175.384 174.700 -0.132 0.000 1.046 99 T CA 0.901 62.876 62.100 -0.209 0.000 1.139 99 T CB 0.221 68.991 68.868 -0.163 0.000 0.871 99 T HN 0.467 nan 8.240 nan 0.000 0.454 100 G N -0.086 108.615 108.800 -0.165 0.000 2.373 100 G HA2 0.356 4.317 3.960 0.001 0.000 0.250 100 G HA3 0.356 4.317 3.960 0.001 0.000 0.250 100 G C -1.868 172.959 174.900 -0.122 0.000 1.304 100 G CA -1.117 43.935 45.100 -0.081 0.000 0.948 100 G HN 0.154 nan 8.290 nan 0.000 0.474 101 F N 0.962 121.022 119.950 0.183 0.000 2.450 101 F HA 0.841 5.368 4.527 0.001 0.000 0.332 101 F C 0.727 176.604 175.800 0.129 0.000 1.093 101 F CA -0.106 58.003 58.000 0.182 0.000 1.003 101 F CB 2.344 41.404 39.000 0.100 0.000 1.151 101 F HN 0.600 nan 8.300 nan 0.000 0.474 102 S N 0.550 116.451 115.700 0.335 0.000 2.552 102 S HA 0.613 5.083 4.470 0.001 0.000 0.272 102 S C 0.030 174.796 174.600 0.278 0.000 1.150 102 S CA -0.048 58.289 58.200 0.229 0.000 0.849 102 S CB 1.264 64.543 63.200 0.133 0.000 1.113 102 S HN 0.806 nan 8.310 nan 0.000 0.458 103 A N 1.755 124.701 122.820 0.210 0.000 2.167 103 A HA 0.276 4.597 4.320 0.001 0.000 0.214 103 A C 0.670 178.408 177.584 0.256 0.000 1.151 103 A CA 0.729 52.910 52.037 0.240 0.000 0.735 103 A CB -0.325 18.761 19.000 0.143 0.000 0.802 103 A HN 0.740 nan 8.150 nan 0.000 0.467 104 E N -0.039 120.232 120.200 0.118 0.000 2.092 104 E HA 0.365 4.716 4.350 0.001 0.000 0.271 104 E C 0.969 177.421 176.600 -0.246 0.000 0.919 104 E CA -0.624 55.749 56.400 -0.045 0.000 0.760 104 E CB 0.654 30.335 29.700 -0.032 0.000 1.106 104 E HN 0.342 nan 8.360 nan 0.000 0.408 105 R N 2.493 122.554 120.500 -0.732 0.000 2.191 105 R HA -0.293 4.048 4.340 0.001 0.000 0.248 105 R C 1.948 177.997 176.300 -0.417 0.000 1.127 105 R CA 2.853 58.333 56.100 -1.033 0.000 0.943 105 R CB -0.409 29.238 30.300 -1.088 0.000 0.891 105 R HN 0.673 nan 8.270 nan 0.000 0.439 106 S N 0.055 115.585 115.700 -0.283 0.000 2.400 106 S HA -0.139 4.332 4.470 0.001 0.000 0.232 106 S C 1.734 176.251 174.600 -0.139 0.000 1.025 106 S CA 1.317 59.408 58.200 -0.181 0.000 0.993 106 S CB -0.225 62.894 63.200 -0.136 0.000 0.808 106 S HN 0.387 nan 8.310 nan 0.000 0.478 107 K N 1.305 121.638 120.400 -0.112 0.000 2.283 107 K HA 0.164 4.485 4.320 0.001 0.000 0.202 107 K C 2.285 178.848 176.600 -0.061 0.000 1.048 107 K CA 0.899 57.147 56.287 -0.066 0.000 0.948 107 K CB -0.413 32.072 32.500 -0.025 0.000 0.742 107 K HN 0.552 nan 8.250 nan 0.000 0.458 108 A N 1.336 124.116 122.820 -0.068 0.000 2.119 108 A HA 0.131 4.452 4.320 0.001 0.000 0.217 108 A C 1.068 178.542 177.584 -0.183 0.000 1.153 108 A CA 1.100 53.100 52.037 -0.061 0.000 0.692 108 A CB -0.459 18.566 19.000 0.042 0.000 0.799 108 A HN 0.408 nan 8.150 nan 0.000 0.458 109 G N -1.999 106.687 108.800 -0.191 0.000 2.698 109 G HA2 0.047 4.008 3.960 0.001 0.000 0.233 109 G HA3 0.047 4.008 3.960 0.001 0.000 0.233 109 G C -0.269 174.437 174.900 -0.323 0.000 1.352 109 G CA -0.055 44.896 45.100 -0.248 0.000 0.879 109 G HN 1.534 nan 8.290 nan 0.000 0.567 110 V N -0.095 119.592 119.914 -0.380 0.000 2.808 110 V HA 0.718 4.839 4.120 0.001 0.000 0.308 110 V C -0.213 175.564 176.094 -0.528 0.000 1.099 110 V CA -1.052 60.996 62.300 -0.419 0.000 0.920 110 V CB 1.495 33.157 31.823 -0.267 0.000 1.014 110 V HN 0.912 nan 8.190 nan 0.000 0.425 111 F N 3.950 123.548 119.950 -0.587 0.000 2.406 111 F HA 0.553 5.081 4.527 0.001 0.000 0.327 111 F C 0.732 176.149 175.800 -0.639 0.000 1.153 111 F CA 0.177 57.795 58.000 -0.637 0.000 1.218 111 F CB 1.025 39.501 39.000 -0.873 0.000 1.215 111 F HN 0.400 nan 8.300 nan 0.000 0.570 112 Q N 1.618 121.362 119.800 -0.093 0.000 2.305 112 Q HA 0.219 4.559 4.340 0.001 0.000 0.271 112 Q C -1.835 174.272 176.000 0.179 0.000 1.046 112 Q CA -0.868 54.939 55.803 0.008 0.000 0.798 112 Q CB 2.725 31.443 28.738 -0.034 0.000 1.286 112 Q HN 0.602 nan 8.270 nan 0.000 0.435 113 Y N 1.494 121.909 120.300 0.191 0.000 2.721 113 Y HA 0.364 4.915 4.550 0.001 0.000 0.328 113 Y C 0.881 176.866 175.900 0.141 0.000 1.003 113 Y CA -0.176 58.037 58.100 0.189 0.000 1.275 113 Y CB 0.404 38.986 38.460 0.205 0.000 1.097 113 Y HN 0.945 nan 8.280 nan 0.000 0.514 114 A N 4.660 127.466 122.820 -0.022 0.000 1.894 114 A HA -0.245 4.075 4.320 0.001 0.000 0.220 114 A C -0.204 177.506 177.584 0.210 0.000 1.237 114 A CA 2.254 54.336 52.037 0.075 0.000 0.660 114 A CB -0.612 18.412 19.000 0.041 0.000 0.835 114 A HN 0.715 nan 8.150 nan 0.000 0.461 115 Y N -2.860 117.460 120.300 0.033 0.000 2.558 115 Y HA 0.534 5.085 4.550 0.001 0.000 0.333 115 Y C -1.255 174.722 175.900 0.129 0.000 1.125 115 Y CA -1.080 57.051 58.100 0.051 0.000 1.039 115 Y CB 1.226 39.654 38.460 -0.053 0.000 1.331 115 Y HN 0.131 nan 8.280 nan 0.000 0.456 116 I N 5.719 126.234 120.570 -0.093 0.000 2.330 116 I HA 0.252 4.423 4.170 0.001 0.000 0.286 116 I C -0.928 175.254 176.117 0.109 0.000 1.025 116 I CA -0.478 60.901 61.300 0.132 0.000 1.197 116 I CB 0.619 38.632 38.000 0.021 0.000 1.358 116 I HN 0.613 nan 8.210 nan 0.000 0.467 117 H N 5.002 124.273 119.070 0.336 0.000 2.527 117 H HA 0.235 4.792 4.556 0.001 0.000 0.321 117 H C 1.170 176.608 175.328 0.183 0.000 1.087 117 H CA -0.611 55.609 56.048 0.288 0.000 1.337 117 H CB 1.134 31.027 29.762 0.217 0.000 1.440 117 H HN 0.489 nan 8.280 nan 0.000 0.490 118 R N 1.126 121.774 120.500 0.247 0.000 2.103 118 R HA -0.197 4.144 4.340 0.001 0.000 0.242 118 R C 1.664 178.062 176.300 0.163 0.000 1.142 118 R CA 1.873 58.074 56.100 0.167 0.000 0.960 118 R CB -0.538 29.840 30.300 0.130 0.000 0.858 118 R HN 0.570 nan 8.270 nan 0.000 0.439 119 S N 0.691 116.495 115.700 0.172 0.000 2.469 119 S HA -0.098 4.372 4.470 0.001 0.000 0.238 119 S C 1.216 175.889 174.600 0.122 0.000 0.998 119 S CA 1.124 59.398 58.200 0.124 0.000 0.957 119 S CB -0.090 63.165 63.200 0.093 0.000 0.764 119 S HN 0.568 nan 8.310 nan 0.000 0.514 120 E N 0.788 121.091 120.200 0.171 0.000 2.444 120 E HA 0.200 4.550 4.350 0.001 0.000 0.191 120 E C -0.775 175.931 176.600 0.177 0.000 1.041 120 E CA -0.189 56.305 56.400 0.158 0.000 0.883 120 E CB 0.653 30.475 29.700 0.203 0.000 1.024 120 E HN 0.322 nan 8.360 nan 0.000 0.470 121 V N 2.544 122.563 119.914 0.176 0.000 2.405 121 V HA 0.043 4.164 4.120 0.001 0.000 0.264 121 V C 0.112 176.345 176.094 0.232 0.000 1.048 121 V CA -0.220 62.194 62.300 0.190 0.000 0.966 121 V CB -0.144 31.768 31.823 0.147 0.000 1.015 121 V HN 0.253 nan 8.190 nan 0.000 0.477 122 F N 4.847 124.828 119.950 0.053 0.000 2.546 122 F HA 0.069 4.597 4.527 0.001 0.000 0.388 122 F C 0.532 176.336 175.800 0.005 0.000 1.051 122 F CA 0.195 58.201 58.000 0.011 0.000 1.130 122 F CB 0.326 39.301 39.000 -0.042 0.000 1.044 122 F HN 0.477 nan 8.300 nan 0.000 0.553 123 T N 3.984 118.804 114.554 0.443 0.000 2.841 123 T HA 0.373 4.723 4.350 0.001 0.000 0.285 123 T C -0.175 174.609 174.700 0.139 0.000 0.991 123 T CA -0.700 61.501 62.100 0.169 0.000 0.966 123 T CB 1.656 70.597 68.868 0.122 0.000 0.962 123 T HN 0.652 nan 8.240 nan 0.000 0.438 124 T N 0.522 115.060 114.554 -0.027 0.000 2.930 124 T HA 0.712 5.063 4.350 0.001 0.000 0.290 124 T C -3.029 171.607 174.700 -0.107 0.000 1.052 124 T CA -2.612 59.449 62.100 -0.065 0.000 1.017 124 T CB 0.982 69.737 68.868 -0.189 0.000 1.137 124 T HN 0.138 nan 8.240 nan 0.000 0.511 125 P HA 0.206 nan 4.420 nan 0.000 0.267 125 P C 0.853 177.972 177.300 -0.302 0.000 1.209 125 P CA -0.161 62.799 63.100 -0.234 0.000 0.763 125 P CB 0.527 31.955 31.700 -0.453 0.000 0.816 126 E N 3.096 123.233 120.200 -0.105 0.000 2.085 126 E HA -0.181 4.170 4.350 0.001 0.000 0.194 126 E C 1.888 178.468 176.600 -0.034 0.000 0.994 126 E CA 1.488 57.856 56.400 -0.053 0.000 0.801 126 E CB -0.489 29.230 29.700 0.031 0.000 0.743 126 E HN 0.719 nan 8.360 nan 0.000 0.453 127 W N 1.009 122.308 121.300 -0.003 0.000 2.342 127 W HA -0.003 4.658 4.660 0.001 0.000 0.297 127 W C 1.876 178.401 176.519 0.011 0.000 1.213 127 W CA 0.988 58.331 57.345 -0.004 0.000 1.251 127 W CB -0.971 28.485 29.460 -0.007 0.000 1.136 127 W HN -0.019 nan 8.180 nan 0.000 0.526 128 A N 1.813 124.131 122.820 -0.837 0.000 2.076 128 A HA -0.198 4.122 4.320 0.001 0.000 0.220 128 A C 2.119 179.541 177.584 -0.271 0.000 1.160 128 A CA 1.990 53.550 52.037 -0.795 0.000 0.653 128 A CB -0.662 17.739 19.000 -0.997 0.000 0.801 128 A HN 0.421 nan 8.150 nan 0.000 0.455 129 K N 0.032 120.313 120.400 -0.199 0.000 2.097 129 K HA -0.134 4.187 4.320 0.001 0.000 0.205 129 K C 1.259 177.822 176.600 -0.061 0.000 1.050 129 K CA 1.461 57.675 56.287 -0.122 0.000 0.938 129 K CB -0.081 32.355 32.500 -0.106 0.000 0.718 129 K HN 0.834 nan 8.250 nan 0.000 0.442 130 E N 0.447 120.648 120.200 0.001 0.000 2.499 130 E HA 0.274 4.625 4.350 0.001 0.000 0.199 130 E C -0.325 176.343 176.600 0.114 0.000 1.016 130 E CA -0.399 56.029 56.400 0.047 0.000 0.933 130 E CB 0.695 30.438 29.700 0.073 0.000 1.050 130 E HN 0.078 nan 8.360 nan 0.000 0.462 131 A N 0.810 123.694 122.820 0.106 0.000 2.286 131 A HA 0.507 4.828 4.320 0.001 0.000 0.286 131 A C -0.209 177.399 177.584 0.039 0.000 1.097 131 A CA -0.516 51.615 52.037 0.158 0.000 0.821 131 A CB 1.281 20.457 19.000 0.293 0.000 1.076 131 A HN 0.132 nan 8.150 nan 0.000 0.490 132 V N 3.627 123.569 119.914 0.046 0.000 2.409 132 V HA 0.260 4.381 4.120 0.001 0.000 0.290 132 V C -0.534 175.525 176.094 -0.059 0.000 1.017 132 V CA -0.468 61.804 62.300 -0.047 0.000 0.841 132 V CB 1.044 32.853 31.823 -0.023 0.000 1.003 132 V HN 0.669 nan 8.190 nan 0.000 0.426 133 I N 4.229 124.677 120.570 -0.203 0.000 2.532 133 I HA 0.376 4.547 4.170 0.001 0.000 0.292 133 I C -0.524 175.528 176.117 -0.108 0.000 1.014 133 I CA -0.540 60.613 61.300 -0.245 0.000 1.340 133 I CB 0.908 38.486 38.000 -0.704 0.000 1.422 133 I HN 0.618 nan 8.210 nan 0.000 0.528 134 Y N 4.423 124.613 120.300 -0.184 0.000 2.326 134 Y HA 0.288 4.839 4.550 0.001 0.000 0.331 134 Y C 0.125 175.931 175.900 -0.157 0.000 0.962 134 Y CA -0.612 57.411 58.100 -0.128 0.000 1.167 134 Y CB 1.303 39.694 38.460 -0.114 0.000 1.148 134 Y HN 0.615 nan 8.280 nan 0.000 0.463 135 Q N 6.700 126.318 119.800 -0.302 0.000 2.279 135 Q HA 0.463 4.804 4.340 0.001 0.000 0.256 135 Q C -1.381 174.438 176.000 -0.302 0.000 0.937 135 Q CA -0.290 55.399 55.803 -0.189 0.000 0.933 135 Q CB 0.670 29.492 28.738 0.140 0.000 1.189 135 Q HN 0.780 nan 8.270 nan 0.000 0.417 136 I N 4.787 125.104 120.570 -0.421 0.000 2.362 136 I HA 0.234 4.405 4.170 0.001 0.000 0.289 136 I C -0.904 175.047 176.117 -0.277 0.000 0.994 136 I CA -0.761 60.286 61.300 -0.421 0.000 1.158 136 I CB 1.074 38.703 38.000 -0.619 0.000 1.315 136 I HN 0.649 nan 8.210 nan 0.000 0.451 137 F N 9.625 129.328 119.950 -0.412 0.000 2.303 137 F HA 0.408 4.936 4.527 0.001 0.000 0.368 137 F C -1.767 173.893 175.800 -0.234 0.000 1.105 137 F CA -2.098 55.751 58.000 -0.252 0.000 1.153 137 F CB 0.868 39.810 39.000 -0.096 0.000 1.362 137 F HN 0.315 nan 8.300 nan 0.000 0.511 138 P HA -0.278 nan 4.420 nan 0.000 0.219 138 P C 1.450 178.662 177.300 -0.147 0.000 1.158 138 P CA 1.443 64.301 63.100 -0.404 0.000 0.895 138 P CB 0.215 31.259 31.700 -1.093 0.000 0.792 139 E N -1.145 119.085 120.200 0.051 0.000 2.333 139 E HA -0.158 4.193 4.350 0.001 0.000 0.198 139 E C 1.171 178.046 176.600 0.459 0.000 1.007 139 E CA 0.981 57.658 56.400 0.461 0.000 0.845 139 E CB -0.020 30.010 29.700 0.550 0.000 0.766 139 E HN 0.048 nan 8.360 nan 0.000 0.507 140 R N -1.899 118.821 120.500 0.367 0.000 2.535 140 R HA 0.198 4.539 4.340 0.001 0.000 0.323 140 R C 1.119 177.557 176.300 0.230 0.000 0.979 140 R CA -0.189 56.023 56.100 0.185 0.000 1.120 140 R CB -0.242 30.123 30.300 0.109 0.000 1.306 140 R HN 0.089 nan 8.270 nan 0.000 0.540 141 F N -0.054 120.000 119.950 0.173 0.000 2.164 141 F HA 0.459 4.986 4.527 0.001 0.000 0.287 141 F C 0.151 176.357 175.800 0.676 0.000 1.086 141 F CA 0.502 58.648 58.000 0.242 0.000 1.249 141 F CB 0.464 39.519 39.000 0.092 0.000 1.059 141 F HN -0.063 nan 8.300 nan 0.000 0.490 142 A N 0.594 123.651 122.820 0.395 0.000 2.488 142 A HA 0.365 4.686 4.320 0.001 0.000 0.295 142 A C -1.677 175.837 177.584 -0.117 0.000 1.045 142 A CA -0.650 51.350 52.037 -0.062 0.000 0.703 142 A CB 0.510 19.323 19.000 -0.313 0.000 1.271 142 A HN 0.225 nan 8.150 nan 0.000 0.400 143 N N 1.998 120.423 118.700 -0.459 0.000 2.645 143 N HA 0.339 5.080 4.740 0.001 0.000 0.233 143 N C 1.024 176.406 175.510 -0.214 0.000 1.058 143 N CA 0.408 53.338 53.050 -0.199 0.000 0.942 143 N CB 1.016 39.400 38.487 -0.173 0.000 1.210 143 N HN 0.734 nan 8.380 nan 0.000 0.512 144 G N 1.198 109.923 108.800 -0.125 0.000 2.683 144 G HA2 -0.082 3.878 3.960 0.001 0.000 0.213 144 G HA3 -0.082 3.878 3.960 0.001 0.000 0.213 144 G C 0.038 174.895 174.900 -0.072 0.000 1.142 144 G CA 0.057 45.081 45.100 -0.127 0.000 0.793 144 G HN 0.547 nan 8.290 nan 0.000 0.534 145 D N -0.507 119.879 120.400 -0.023 0.000 2.389 145 D HA 0.265 4.906 4.640 0.001 0.000 0.256 145 D C -1.640 174.673 176.300 0.022 0.000 1.239 145 D CA -2.088 51.912 54.000 0.001 0.000 0.925 145 D CB 2.127 42.941 40.800 0.024 0.000 1.145 145 D HN -0.026 nan 8.370 nan 0.000 0.542 146 P HA -0.108 nan 4.420 nan 0.000 0.230 146 P C 0.993 178.311 177.300 0.030 0.000 1.158 146 P CA 0.545 63.662 63.100 0.027 0.000 0.769 146 P CB 0.204 31.911 31.700 0.011 0.000 0.807 147 S N 0.295 116.008 115.700 0.021 0.000 2.561 147 S HA -0.049 4.422 4.470 0.001 0.000 0.225 147 S C 1.278 175.890 174.600 0.020 0.000 0.977 147 S CA 0.462 58.672 58.200 0.017 0.000 0.926 147 S CB -1.172 62.035 63.200 0.012 0.000 0.769 147 S HN 0.201 nan 8.310 nan 0.000 0.533 148 N N 0.187 118.907 118.700 0.034 0.000 2.200 148 N HA 0.182 4.923 4.740 0.001 0.000 0.224 148 N C -1.217 174.309 175.510 0.028 0.000 1.179 148 N CA -0.460 52.609 53.050 0.031 0.000 0.877 148 N CB -0.379 38.141 38.487 0.056 0.000 1.072 148 N HN 0.072 nan 8.380 nan 0.000 0.519 149 D N 2.095 122.517 120.400 0.037 0.000 2.443 149 D HA 0.182 4.822 4.640 0.001 0.000 0.239 149 D C -2.014 174.251 176.300 -0.059 0.000 1.136 149 D CA -0.727 53.296 54.000 0.038 0.000 0.879 149 D CB 0.538 41.380 40.800 0.070 0.000 1.195 149 D HN 0.209 nan 8.370 nan 0.000 0.443 150 P HA 0.208 nan 4.420 nan 0.000 0.272 150 P C -2.529 174.610 177.300 -0.267 0.000 1.240 150 P CA -0.982 61.886 63.100 -0.386 0.000 0.791 150 P CB -0.017 31.074 31.700 -1.015 0.000 0.978 151 P HA 0.158 nan 4.420 nan 0.000 0.271 151 P C 0.693 177.941 177.300 -0.086 0.000 1.218 151 P CA 0.712 63.737 63.100 -0.125 0.000 0.780 151 P CB 0.208 31.850 31.700 -0.098 0.000 0.901 152 G N 0.896 109.684 108.800 -0.019 0.000 2.148 152 G HA2 -0.238 3.723 3.960 0.001 0.000 0.254 152 G HA3 -0.238 3.723 3.960 0.001 0.000 0.254 152 G C 0.319 175.238 174.900 0.032 0.000 0.981 152 G CA 0.084 45.197 45.100 0.022 0.000 0.670 152 G HN 0.600 nan 8.290 nan 0.000 0.528 153 T N 1.467 116.036 114.554 0.025 0.000 2.871 153 T HA 0.343 4.694 4.350 0.001 0.000 0.296 153 T C 0.698 175.392 174.700 -0.010 0.000 0.998 153 T CA 0.681 62.804 62.100 0.039 0.000 1.162 153 T CB 0.806 69.729 68.868 0.091 0.000 0.947 153 T HN 0.511 nan 8.240 nan 0.000 0.536 154 E N 2.230 122.335 120.200 -0.158 0.000 2.314 154 E HA 0.183 4.534 4.350 0.001 0.000 0.262 154 E C 0.179 176.836 176.600 0.095 0.000 1.093 154 E CA -0.707 55.622 56.400 -0.119 0.000 0.908 154 E CB 0.774 30.279 29.700 -0.326 0.000 1.091 154 E HN 0.553 nan 8.360 nan 0.000 0.425 155 Q N 0.899 120.799 119.800 0.167 0.000 2.332 155 Q HA 0.012 4.352 4.340 0.001 0.000 0.263 155 Q C -0.736 175.488 176.000 0.373 0.000 0.979 155 Q CA -0.060 55.897 55.803 0.257 0.000 0.885 155 Q CB 0.728 29.571 28.738 0.176 0.000 1.218 155 Q HN 0.457 nan 8.270 nan 0.000 0.405 156 W N 2.866 124.294 121.300 0.212 0.000 2.585 156 W HA 0.377 5.038 4.660 0.001 0.000 0.337 156 W C -0.934 175.634 176.519 0.082 0.000 1.226 156 W CA -0.049 57.394 57.345 0.164 0.000 1.463 156 W CB -0.032 29.513 29.460 0.141 0.000 1.458 156 W HN 0.614 nan 8.180 nan 0.000 0.458 157 A N 4.756 127.635 122.820 0.099 0.000 2.594 157 A HA 0.298 4.618 4.320 0.001 0.000 0.291 157 A C 0.720 178.282 177.584 -0.038 0.000 1.105 157 A CA -0.676 51.410 52.037 0.083 0.000 0.694 157 A CB 1.742 20.791 19.000 0.083 0.000 1.291 157 A HN 0.566 nan 8.150 nan 0.000 0.410 158 K N -0.404 119.989 120.400 -0.012 0.000 2.283 158 K HA -0.099 4.221 4.320 0.001 0.000 0.202 158 K C -0.172 176.386 176.600 -0.070 0.000 1.048 158 K CA 1.722 57.975 56.287 -0.057 0.000 0.948 158 K CB 0.093 32.573 32.500 -0.033 0.000 0.742 158 K HN 0.642 nan 8.250 nan 0.000 0.458 159 D N 0.499 120.874 120.400 -0.041 0.000 2.358 159 D HA 0.113 4.753 4.640 0.001 0.000 0.224 159 D C -0.577 175.702 176.300 -0.034 0.000 1.123 159 D CA 0.062 54.041 54.000 -0.035 0.000 0.833 159 D CB 0.570 41.363 40.800 -0.012 0.000 0.946 159 D HN 0.227 nan 8.370 nan 0.000 0.505 160 A N 1.060 123.841 122.820 -0.065 0.000 2.488 160 A HA 0.324 4.644 4.320 0.001 0.000 0.249 160 A C 0.413 177.959 177.584 -0.062 0.000 1.083 160 A CA -0.023 51.986 52.037 -0.046 0.000 0.768 160 A CB 0.382 19.286 19.000 -0.160 0.000 1.017 160 A HN -0.079 nan 8.150 nan 0.000 0.496 161 R N 3.430 123.938 120.500 0.013 0.000 2.363 161 R HA 0.324 4.664 4.340 0.001 0.000 0.297 161 R C -2.774 173.555 176.300 0.048 0.000 1.208 161 R CA -1.714 54.384 56.100 -0.003 0.000 1.121 161 R CB 0.881 31.178 30.300 -0.005 0.000 1.124 161 R HN 0.647 nan 8.270 nan 0.000 0.561 162 P HA 0.193 nan 4.420 nan 0.000 0.270 162 P C -0.316 176.971 177.300 -0.022 0.000 1.223 162 P CA -0.263 62.899 63.100 0.104 0.000 0.785 162 P CB 1.387 33.162 31.700 0.125 0.000 0.923 163 R N -0.318 120.154 120.500 -0.047 0.000 2.902 163 R HA 0.294 4.635 4.340 0.001 0.000 0.258 163 R C 1.472 177.715 176.300 -0.096 0.000 1.071 163 R CA -0.698 55.371 56.100 -0.052 0.000 1.024 163 R CB 0.427 30.738 30.300 0.017 0.000 1.184 163 R HN 0.509 nan 8.270 nan 0.000 0.492 164 H N 0.157 119.245 119.070 0.030 0.000 2.518 164 H HA -0.128 4.428 4.556 0.001 0.000 0.292 164 H C 0.641 176.044 175.328 0.124 0.000 1.068 164 H CA 1.841 57.961 56.048 0.119 0.000 1.275 164 H CB 0.165 30.011 29.762 0.140 0.000 1.375 164 H HN 0.519 nan 8.280 nan 0.000 0.563 165 D N -1.101 119.361 120.400 0.103 0.000 2.469 165 D HA 0.068 4.709 4.640 0.001 0.000 0.215 165 D C 0.104 176.284 176.300 -0.200 0.000 1.154 165 D CA -0.086 53.926 54.000 0.021 0.000 0.832 165 D CB 0.144 41.001 40.800 0.094 0.000 1.008 165 D HN 0.012 nan 8.370 nan 0.000 0.506 166 S N 0.063 115.591 115.700 -0.286 0.000 2.593 166 S HA 0.433 4.904 4.470 0.001 0.000 0.269 166 S C -0.410 173.869 174.600 -0.535 0.000 1.334 166 S CA -0.055 57.947 58.200 -0.331 0.000 1.015 166 S CB 0.454 63.486 63.200 -0.279 0.000 0.912 166 S HN 0.166 nan 8.310 nan 0.000 0.541 167 F N 0.116 119.908 119.950 -0.263 0.000 2.578 167 F HA 0.417 4.945 4.527 0.001 0.000 0.311 167 F C -0.208 175.392 175.800 -0.334 0.000 1.094 167 F CA -0.591 57.343 58.000 -0.111 0.000 0.923 167 F CB 1.532 40.524 39.000 -0.012 0.000 1.230 167 F HN 0.571 nan 8.300 nan 0.000 0.450 168 Y N 0.146 120.629 120.300 0.305 0.000 2.499 168 Y HA 0.334 4.885 4.550 0.001 0.000 0.253 168 Y C 1.477 177.649 175.900 0.453 0.000 1.105 168 Y CA 0.187 58.433 58.100 0.243 0.000 1.240 168 Y CB 1.313 39.727 38.460 -0.077 0.000 1.289 168 Y HN 0.789 nan 8.280 nan 0.000 0.534 169 G N 0.269 109.402 108.800 0.556 0.000 2.157 169 G HA2 -0.215 3.746 3.960 0.001 0.000 0.239 169 G HA3 -0.215 3.746 3.960 0.001 0.000 0.239 169 G C 0.719 175.929 174.900 0.516 0.000 0.982 169 G CA -0.200 45.187 45.100 0.477 0.000 0.650 169 G HN 0.673 nan 8.290 nan 0.000 0.527 170 G N 0.367 109.567 108.800 0.667 0.000 2.414 170 G HA2 0.535 4.496 3.960 0.001 0.000 0.236 170 G HA3 0.535 4.496 3.960 0.001 0.000 0.236 170 G C 0.058 175.164 174.900 0.344 0.000 1.293 170 G CA 1.043 46.461 45.100 0.530 0.000 0.869 170 G HN 1.139 nan 8.290 nan 0.000 0.556 171 D N -0.163 120.346 120.400 0.182 0.000 2.677 171 D HA 0.211 4.852 4.640 0.001 0.000 0.298 171 D C 1.098 177.397 176.300 -0.002 0.000 1.250 171 D CA -0.918 53.144 54.000 0.104 0.000 0.888 171 D CB 0.436 41.354 40.800 0.196 0.000 1.397 171 D HN 0.177 nan 8.370 nan 0.000 0.461 172 L N -0.956 120.257 121.223 -0.016 0.000 2.156 172 L HA -0.011 4.330 4.340 0.001 0.000 0.208 172 L C 2.155 179.040 176.870 0.025 0.000 1.095 172 L CA 0.922 55.749 54.840 -0.022 0.000 0.770 172 L CB -0.452 41.605 42.059 -0.003 0.000 0.914 172 L HN 0.401 nan 8.230 nan 0.000 0.439 173 K N 1.079 121.498 120.400 0.032 0.000 2.097 173 K HA -0.100 4.221 4.320 0.001 0.000 0.206 173 K C 1.932 178.524 176.600 -0.013 0.000 1.049 173 K CA 1.508 57.800 56.287 0.008 0.000 0.933 173 K CB -0.696 31.807 32.500 0.004 0.000 0.717 173 K HN 0.190 nan 8.250 nan 0.000 0.442 174 G N -0.143 108.655 108.800 -0.003 0.000 2.422 174 G HA2 -0.175 3.786 3.960 0.001 0.000 0.218 174 G HA3 -0.175 3.786 3.960 0.001 0.000 0.218 174 G C 1.497 176.427 174.900 0.050 0.000 1.146 174 G CA 0.995 46.066 45.100 -0.048 0.000 0.769 174 G HN 0.197 nan 8.290 nan 0.000 0.547 175 V N 1.280 121.310 119.914 0.192 0.000 2.295 175 V HA -0.154 3.966 4.120 0.001 0.000 0.246 175 V C 2.781 178.975 176.094 0.167 0.000 1.049 175 V CA 1.477 63.971 62.300 0.323 0.000 1.024 175 V CB -0.434 31.555 31.823 0.276 0.000 0.648 175 V HN 0.390 nan 8.190 nan 0.000 0.447 176 I N 0.363 120.973 120.570 0.066 0.000 2.163 176 I HA -0.263 3.908 4.170 0.001 0.000 0.243 176 I C 2.312 178.420 176.117 -0.015 0.000 1.085 176 I CA 1.792 63.100 61.300 0.014 0.000 1.347 176 I CB -0.628 37.362 38.000 -0.016 0.000 1.044 176 I HN 0.322 nan 8.210 nan 0.000 0.408 177 D N 0.658 121.022 120.400 -0.059 0.000 2.182 177 D HA -0.141 4.499 4.640 0.001 0.000 0.201 177 D C 1.938 178.146 176.300 -0.153 0.000 0.986 177 D CA 1.007 54.931 54.000 -0.126 0.000 0.847 177 D CB -0.231 40.450 40.800 -0.199 0.000 0.942 177 D HN 0.202 nan 8.370 nan 0.000 0.467 178 R N 0.269 120.698 120.500 -0.117 0.000 2.359 178 R HA 0.211 4.552 4.340 0.001 0.000 0.231 178 R C 2.042 178.417 176.300 0.126 0.000 0.913 178 R CA -0.184 55.859 56.100 -0.095 0.000 1.075 178 R CB -0.359 29.816 30.300 -0.209 0.000 1.087 178 R HN 0.300 nan 8.270 nan 0.000 0.515 179 L N 0.810 122.083 121.223 0.082 0.000 2.127 179 L HA -0.125 4.216 4.340 0.001 0.000 0.211 179 L C -0.693 176.221 176.870 0.073 0.000 1.089 179 L CA 1.509 56.396 54.840 0.078 0.000 0.757 179 L CB -1.207 40.869 42.059 0.029 0.000 0.899 179 L HN 0.058 nan 8.230 nan 0.000 0.434 180 P HA -0.227 nan 4.420 nan 0.000 0.217 180 P C 1.330 178.702 177.300 0.120 0.000 1.150 180 P CA 1.284 64.419 63.100 0.059 0.000 0.832 180 P CB -0.044 31.674 31.700 0.031 0.000 0.787 181 Y N 0.213 120.539 120.300 0.043 0.000 2.145 181 Y HA -0.187 4.364 4.550 0.001 0.000 0.286 181 Y C 1.925 177.922 175.900 0.161 0.000 1.145 181 Y CA 1.435 59.614 58.100 0.131 0.000 1.148 181 Y CB -0.907 37.657 38.460 0.175 0.000 0.981 181 Y HN -0.241 nan 8.280 nan 0.000 0.507 182 L N 0.843 122.167 121.223 0.168 0.000 2.093 182 L HA -0.191 4.150 4.340 0.001 0.000 0.208 182 L C 2.458 179.270 176.870 -0.097 0.000 1.085 182 L CA 2.080 56.880 54.840 -0.067 0.000 0.755 182 L CB -1.605 40.409 42.059 -0.074 0.000 0.904 182 L HN 0.436 nan 8.230 nan 0.000 0.435 183 E N 0.089 120.271 120.200 -0.030 0.000 2.072 183 E HA -0.254 4.097 4.350 0.001 0.000 0.191 183 E C 2.069 178.645 176.600 -0.040 0.000 0.985 183 E CA 1.156 57.535 56.400 -0.035 0.000 0.801 183 E CB 0.113 29.805 29.700 -0.014 0.000 0.750 183 E HN 0.491 nan 8.360 nan 0.000 0.452 184 E N 0.172 120.360 120.200 -0.020 0.000 2.110 184 E HA -0.202 4.149 4.350 0.001 0.000 0.193 184 E C 2.181 178.732 176.600 -0.082 0.000 0.988 184 E CA 0.734 57.134 56.400 0.001 0.000 0.804 184 E CB -0.027 29.730 29.700 0.094 0.000 0.745 184 E HN 0.235 nan 8.360 nan 0.000 0.458 185 L N -0.115 121.002 121.223 -0.176 0.000 2.131 185 L HA 0.002 4.342 4.340 0.001 0.000 0.210 185 L C 1.562 178.310 176.870 -0.204 0.000 1.092 185 L CA 2.329 56.959 54.840 -0.351 0.000 0.759 185 L CB -0.214 41.619 42.059 -0.375 0.000 0.903 185 L HN 0.353 nan 8.230 nan 0.000 0.435 186 G N -1.423 107.311 108.800 -0.109 0.000 2.163 186 G HA2 -0.195 3.766 3.960 0.001 0.000 0.213 186 G HA3 -0.195 3.766 3.960 0.001 0.000 0.213 186 G C 0.353 175.275 174.900 0.037 0.000 0.991 186 G CA 0.298 45.389 45.100 -0.016 0.000 0.653 186 G HN 0.874 nan 8.290 nan 0.000 0.518 187 V N -0.282 119.617 119.914 -0.025 0.000 2.999 187 V HA 0.686 4.807 4.120 0.001 0.000 0.307 187 V C 1.222 177.319 176.094 0.004 0.000 1.084 187 V CA 1.435 63.738 62.300 0.005 0.000 1.155 187 V CB 1.289 33.096 31.823 -0.027 0.000 0.975 187 V HN 1.064 nan 8.190 nan 0.000 0.490 188 T N -0.124 114.449 114.554 0.032 0.000 3.040 188 T HA 0.742 5.092 4.350 0.001 0.000 0.266 188 T C 0.260 174.964 174.700 0.006 0.000 1.005 188 T CA 0.341 62.448 62.100 0.011 0.000 0.906 188 T CB 0.086 68.981 68.868 0.045 0.000 1.082 188 T HN 1.899 nan 8.240 nan 0.000 0.531 189 A N 1.038 123.867 122.820 0.015 0.000 2.594 189 A HA 0.699 5.020 4.320 0.001 0.000 0.296 189 A C -1.869 175.704 177.584 -0.019 0.000 1.061 189 A CA -0.949 51.100 52.037 0.021 0.000 0.689 189 A CB 0.974 20.061 19.000 0.145 0.000 1.280 189 A HN 0.343 nan 8.150 nan 0.000 0.406 190 L N 1.981 123.166 121.223 -0.064 0.000 2.356 190 L HA 0.487 4.828 4.340 0.001 0.000 0.277 190 L C -1.108 175.619 176.870 -0.238 0.000 0.996 190 L CA -0.781 53.904 54.840 -0.257 0.000 0.822 190 L CB 1.830 43.563 42.059 -0.544 0.000 1.256 190 L HN 0.800 nan 8.230 nan 0.000 0.413 191 Y N 4.154 124.267 120.300 -0.313 0.000 2.385 191 Y HA 0.530 5.080 4.550 0.001 0.000 0.341 191 Y C -1.288 174.466 175.900 -0.243 0.000 0.965 191 Y CA -1.460 56.580 58.100 -0.101 0.000 1.180 191 Y CB 0.559 39.074 38.460 0.092 0.000 1.139 191 Y HN 0.255 nan 8.280 nan 0.000 0.502 192 F N 4.105 123.915 119.950 -0.232 0.000 2.404 192 F HA 0.412 4.939 4.527 0.001 0.000 0.339 192 F C 1.062 176.523 175.800 -0.565 0.000 1.105 192 F CA -0.527 57.214 58.000 -0.432 0.000 1.087 192 F CB 1.330 40.174 39.000 -0.260 0.000 1.143 192 F HN 0.572 nan 8.300 nan 0.000 0.491 193 T N 0.519 114.814 114.554 -0.432 0.000 2.698 193 T HA 0.286 4.637 4.350 0.001 0.000 0.295 193 T C -2.612 171.879 174.700 -0.349 0.000 1.007 193 T CA -1.873 60.016 62.100 -0.352 0.000 0.980 193 T CB 0.103 68.760 68.868 -0.352 0.000 1.036 193 T HN 0.196 nan 8.240 nan 0.000 0.526 194 P HA 0.096 nan 4.420 nan 0.000 0.261 194 P C 0.382 177.465 177.300 -0.361 0.000 1.173 194 P CA 0.284 63.054 63.100 -0.550 0.000 0.760 194 P CB -0.023 31.265 31.700 -0.687 0.000 0.783 195 I N -1.171 119.102 120.570 -0.495 0.000 4.240 195 I HA 0.311 4.481 4.170 0.001 0.000 0.331 195 I C -0.060 176.032 176.117 -0.042 0.000 1.381 195 I CA -0.257 60.961 61.300 -0.136 0.000 1.136 195 I CB -0.031 37.772 38.000 -0.329 0.000 1.137 195 I HN 0.031 nan 8.210 nan 0.000 0.411 196 F N 2.546 122.395 119.950 -0.170 0.000 2.370 196 F HA 0.647 5.175 4.527 0.001 0.000 0.319 196 F C 1.414 177.140 175.800 -0.125 0.000 1.129 196 F CA -1.235 56.684 58.000 -0.135 0.000 1.109 196 F CB 0.839 39.773 39.000 -0.110 0.000 1.262 196 F HN -0.016 nan 8.300 nan 0.000 0.534 197 A N 2.160 125.064 122.820 0.139 0.000 2.573 197 A HA 0.292 4.613 4.320 0.001 0.000 0.250 197 A C 0.148 177.721 177.584 -0.017 0.000 1.049 197 A CA 0.601 52.654 52.037 0.026 0.000 0.767 197 A CB -0.340 18.696 19.000 0.060 0.000 0.965 197 A HN 0.653 nan 8.150 nan 0.000 0.514 198 S N 3.353 119.007 115.700 -0.076 0.000 2.542 198 S HA 0.635 5.106 4.470 0.001 0.000 0.276 198 S C -2.457 172.099 174.600 -0.074 0.000 1.148 198 S CA -0.418 57.739 58.200 -0.072 0.000 0.886 198 S CB 1.796 64.928 63.200 -0.113 0.000 1.109 198 S HN 0.404 nan 8.310 nan 0.000 0.458 199 P HA 0.073 nan 4.420 nan 0.000 0.236 199 P C 0.670 178.036 177.300 0.110 0.000 1.177 199 P CA 0.349 63.465 63.100 0.027 0.000 0.773 199 P CB -0.124 31.605 31.700 0.049 0.000 0.878 200 S N 0.192 115.879 115.700 -0.022 0.000 2.681 200 S HA 0.125 4.595 4.470 0.001 0.000 0.270 200 S C 1.307 175.856 174.600 -0.085 0.000 1.209 200 S CA -0.106 58.019 58.200 -0.126 0.000 0.988 200 S CB 0.085 62.902 63.200 -0.640 0.000 1.006 200 S HN 0.253 nan 8.310 nan 0.000 0.558 201 H N -0.554 118.359 119.070 -0.262 0.000 2.512 201 H HA 0.154 4.711 4.556 0.001 0.000 0.279 201 H C 1.446 176.797 175.328 0.038 0.000 0.999 201 H CA 1.520 57.473 56.048 -0.158 0.000 1.283 201 H CB -0.640 28.877 29.762 -0.409 0.000 1.421 201 H HN 0.926 nan 8.280 nan 0.000 0.554 202 H N -1.047 117.764 119.070 -0.431 0.000 2.582 202 H HA 0.335 4.892 4.556 0.001 0.000 0.269 202 H C 0.586 175.805 175.328 -0.182 0.000 0.962 202 H CA 0.019 55.960 56.048 -0.178 0.000 1.230 202 H CB 0.430 30.225 29.762 0.054 0.000 1.445 202 H HN 0.021 nan 8.280 nan 0.000 0.528 203 K N -0.710 119.479 120.400 -0.351 0.000 3.341 203 K HA -0.257 4.064 4.320 0.001 0.000 0.305 203 K C -0.265 176.246 176.600 -0.149 0.000 1.270 203 K CA 1.026 57.163 56.287 -0.250 0.000 0.897 203 K CB -2.781 29.564 32.500 -0.259 0.000 1.264 203 K HN 0.506 nan 8.250 nan 0.000 0.468 204 Y N 1.591 122.062 120.300 0.284 0.000 2.546 204 Y HA -0.039 4.512 4.550 0.001 0.000 0.287 204 Y C 0.877 176.903 175.900 0.210 0.000 1.158 204 Y CA 0.752 58.996 58.100 0.241 0.000 1.307 204 Y CB 0.270 38.873 38.460 0.238 0.000 1.036 204 Y HN 0.150 nan 8.280 nan 0.000 0.532 205 D N -0.275 120.283 120.400 0.264 0.000 2.493 205 D HA 0.085 4.726 4.640 0.001 0.000 0.235 205 D C -0.432 175.906 176.300 0.062 0.000 1.117 205 D CA -0.332 53.781 54.000 0.188 0.000 0.930 205 D CB 0.264 41.169 40.800 0.175 0.000 1.010 205 D HN -0.111 nan 8.370 nan 0.000 0.514 206 T N 1.107 115.662 114.554 0.003 0.000 2.817 206 T HA 0.364 4.714 4.350 0.001 0.000 0.295 206 T C 1.303 175.979 174.700 -0.040 0.000 0.958 206 T CA -0.208 61.798 62.100 -0.155 0.000 1.157 206 T CB 1.546 70.048 68.868 -0.609 0.000 0.898 206 T HN 0.510 nan 8.240 nan 0.000 0.536 207 A N 2.831 125.662 122.820 0.017 0.000 1.924 207 A HA 0.237 4.558 4.320 0.001 0.000 0.211 207 A C 0.858 178.577 177.584 0.226 0.000 1.198 207 A CA 0.287 52.405 52.037 0.136 0.000 0.657 207 A CB 0.290 19.343 19.000 0.089 0.000 0.852 207 A HN 0.686 nan 8.150 nan 0.000 0.454 208 D N -2.258 118.230 120.400 0.147 0.000 2.616 208 D HA 0.356 4.997 4.640 0.001 0.000 0.238 208 D C -0.499 175.911 176.300 0.182 0.000 1.354 208 D CA -0.551 53.597 54.000 0.248 0.000 0.970 208 D CB 0.405 41.318 40.800 0.188 0.000 1.369 208 D HN 0.146 nan 8.370 nan 0.000 0.585 209 Y N 1.995 122.525 120.300 0.383 0.000 2.497 209 Y HA 0.075 4.626 4.550 0.001 0.000 0.292 209 Y C 1.743 177.646 175.900 0.004 0.000 1.137 209 Y CA 0.799 59.054 58.100 0.258 0.000 1.285 209 Y CB 0.265 38.985 38.460 0.433 0.000 0.991 209 Y HN 0.400 nan 8.280 nan 0.000 0.556 210 L N -0.607 120.709 121.223 0.155 0.000 2.741 210 L HA 0.441 4.782 4.340 0.001 0.000 0.237 210 L C 0.290 177.137 176.870 -0.038 0.000 1.178 210 L CA -0.338 54.408 54.840 -0.155 0.000 0.973 210 L CB -0.082 41.743 42.059 -0.390 0.000 1.255 210 L HN 0.000 nan 8.230 nan 0.000 0.498 211 A N 0.347 123.268 122.820 0.169 0.000 2.455 211 A HA 0.607 4.928 4.320 0.001 0.000 0.300 211 A C -0.456 177.302 177.584 0.291 0.000 1.040 211 A CA -0.532 51.639 52.037 0.222 0.000 0.697 211 A CB 1.583 20.658 19.000 0.124 0.000 1.265 211 A HN -0.066 nan 8.150 nan 0.000 0.407 212 I N 2.148 122.918 120.570 0.333 0.000 2.692 212 I HA 0.022 4.193 4.170 0.001 0.000 0.284 212 I C 0.757 176.976 176.117 0.170 0.000 1.159 212 I CA 0.193 61.644 61.300 0.253 0.000 1.423 212 I CB 0.414 38.556 38.000 0.236 0.000 1.380 212 I HN 0.713 nan 8.210 nan 0.000 0.580 213 D N 8.108 128.576 120.400 0.113 0.000 2.455 213 D HA 0.025 4.666 4.640 0.001 0.000 0.241 213 D C -1.701 174.591 176.300 -0.013 0.000 1.138 213 D CA -1.251 52.725 54.000 -0.040 0.000 0.877 213 D CB 1.734 42.336 40.800 -0.330 0.000 1.187 213 D HN 0.214 nan 8.370 nan 0.000 0.451 214 P HA -0.185 nan 4.420 nan 0.000 0.217 214 P C 1.131 178.434 177.300 0.004 0.000 1.148 214 P CA 1.529 64.631 63.100 0.004 0.000 0.828 214 P CB 0.021 31.712 31.700 -0.015 0.000 0.783 215 Q N -2.605 117.150 119.800 -0.075 0.000 2.472 215 Q HA -0.032 4.309 4.340 0.001 0.000 0.208 215 Q C 1.040 177.157 176.000 0.195 0.000 0.958 215 Q CA 0.904 56.693 55.803 -0.022 0.000 0.932 215 Q CB -0.450 28.208 28.738 -0.134 0.000 1.007 215 Q HN 0.164 nan 8.270 nan 0.000 0.508 216 F N 0.327 120.299 119.950 0.036 0.000 2.622 216 F HA 0.473 5.001 4.527 0.001 0.000 0.288 216 F C 1.369 177.194 175.800 0.042 0.000 1.120 216 F CA 0.458 58.477 58.000 0.033 0.000 1.423 216 F CB 0.831 39.826 39.000 -0.009 0.000 1.127 216 F HN 0.276 nan 8.300 nan 0.000 0.588 217 G N -0.211 108.732 108.800 0.238 0.000 2.403 217 G HA2 0.292 4.253 3.960 0.001 0.000 0.223 217 G HA3 0.292 4.253 3.960 0.001 0.000 0.223 217 G C -1.985 173.009 174.900 0.157 0.000 1.287 217 G CA -0.166 45.035 45.100 0.169 0.000 0.982 217 G HN 0.170 nan 8.290 nan 0.000 0.471 218 D N -1.667 118.834 120.400 0.168 0.000 2.752 218 D HA 0.611 5.252 4.640 0.001 0.000 0.313 218 D C 1.172 177.615 176.300 0.239 0.000 1.225 218 D CA -0.806 53.300 54.000 0.177 0.000 0.976 218 D CB 0.247 41.125 40.800 0.129 0.000 1.443 218 D HN 0.414 nan 8.370 nan 0.000 0.515 219 L N -0.146 121.226 121.223 0.249 0.000 1.989 219 L HA 0.008 4.348 4.340 0.001 0.000 0.211 219 L C -0.800 176.223 176.870 0.256 0.000 1.071 219 L CA 2.180 57.206 54.840 0.311 0.000 0.749 219 L CB -2.269 39.941 42.059 0.253 0.000 0.890 219 L HN 0.417 nan 8.230 nan 0.000 0.431 220 P HA -0.123 nan 4.420 nan 0.000 0.216 220 P C 1.661 179.017 177.300 0.095 0.000 1.153 220 P CA 1.676 64.839 63.100 0.105 0.000 0.858 220 P CB -0.026 31.719 31.700 0.075 0.000 0.789 221 T N -1.229 113.397 114.554 0.119 0.000 2.821 221 T HA -0.136 4.214 4.350 0.001 0.000 0.267 221 T C 1.428 176.190 174.700 0.104 0.000 1.046 221 T CA 0.906 63.062 62.100 0.094 0.000 1.139 221 T CB -0.924 68.007 68.868 0.104 0.000 0.871 221 T HN 0.025 nan 8.240 nan 0.000 0.454 222 F N 2.676 122.652 119.950 0.043 0.000 2.102 222 F HA -0.063 4.465 4.527 0.001 0.000 0.298 222 F C 2.280 178.081 175.800 0.002 0.000 1.105 222 F CA 1.084 59.095 58.000 0.018 0.000 1.239 222 F CB -0.141 38.931 39.000 0.119 0.000 0.991 222 F HN -0.144 nan 8.300 nan 0.000 0.474 223 R N 0.368 120.831 120.500 -0.062 0.000 2.096 223 R HA -0.154 4.187 4.340 0.001 0.000 0.235 223 R C 2.294 178.472 176.300 -0.204 0.000 1.127 223 R CA 1.367 57.364 56.100 -0.172 0.000 0.968 223 R CB -1.032 29.258 30.300 -0.017 0.000 0.861 223 R HN 0.236 nan 8.270 nan 0.000 0.440 224 R N 1.075 121.501 120.500 -0.124 0.000 2.092 224 R HA -0.078 4.262 4.340 0.001 0.000 0.231 224 R C 2.124 178.326 176.300 -0.162 0.000 1.119 224 R CA 0.945 56.981 56.100 -0.108 0.000 0.970 224 R CB -0.760 29.508 30.300 -0.054 0.000 0.864 224 R HN 0.171 nan 8.270 nan 0.000 0.440 225 L N -0.218 120.878 121.223 -0.212 0.000 2.046 225 L HA -0.080 4.261 4.340 0.001 0.000 0.208 225 L C 1.890 178.553 176.870 -0.344 0.000 1.077 225 L CA 1.638 56.337 54.840 -0.234 0.000 0.747 225 L CB -0.575 41.340 42.059 -0.240 0.000 0.896 225 L HN 0.066 nan 8.230 nan 0.000 0.432 226 V N 0.052 119.637 119.914 -0.549 0.000 2.343 226 V HA -0.260 3.861 4.120 0.001 0.000 0.247 226 V C 2.300 178.051 176.094 -0.572 0.000 1.051 226 V CA 1.953 63.860 62.300 -0.656 0.000 1.036 226 V CB -0.806 30.588 31.823 -0.713 0.000 0.654 226 V HN 0.449 nan 8.190 nan 0.000 0.451 227 D N -0.383 119.821 120.400 -0.326 0.000 2.117 227 D HA -0.126 4.515 4.640 0.001 0.000 0.198 227 D C 2.283 178.515 176.300 -0.113 0.000 0.982 227 D CA 0.955 54.855 54.000 -0.166 0.000 0.828 227 D CB -0.193 40.547 40.800 -0.100 0.000 0.967 227 D HN 0.378 nan 8.370 nan 0.000 0.464 228 E N 0.629 120.756 120.200 -0.123 0.000 2.106 228 E HA -0.060 4.291 4.350 0.001 0.000 0.192 228 E C 2.038 178.599 176.600 -0.064 0.000 0.984 228 E CA 0.652 57.007 56.400 -0.076 0.000 0.806 228 E CB -0.172 29.488 29.700 -0.067 0.000 0.750 228 E HN 0.209 nan 8.360 nan 0.000 0.458 229 A N 0.697 123.454 122.820 -0.105 0.000 1.873 229 A HA -0.176 4.145 4.320 0.001 0.000 0.215 229 A C 1.917 179.499 177.584 -0.003 0.000 1.186 229 A CA 1.472 53.468 52.037 -0.068 0.000 0.616 229 A CB -0.916 18.025 19.000 -0.099 0.000 0.823 229 A HN 0.337 nan 8.150 nan 0.000 0.442 230 H N -0.070 118.943 119.070 -0.094 0.000 2.319 230 H HA -0.163 4.394 4.556 0.001 0.000 0.299 230 H C 2.343 177.615 175.328 -0.093 0.000 1.092 230 H CA 1.416 57.399 56.048 -0.108 0.000 1.302 230 H CB -0.029 29.665 29.762 -0.113 0.000 1.373 230 H HN 0.619 nan 8.280 nan 0.000 0.497 231 R N 1.140 121.672 120.500 0.053 0.000 2.237 231 R HA -0.036 4.304 4.340 0.001 0.000 0.219 231 R C 1.324 177.614 176.300 -0.016 0.000 1.080 231 R CA 1.030 57.131 56.100 0.002 0.000 0.995 231 R CB -0.093 30.201 30.300 -0.009 0.000 0.875 231 R HN 0.239 nan 8.270 nan 0.000 0.462 232 R N 0.527 121.019 120.500 -0.014 0.000 2.466 232 R HA 0.148 4.489 4.340 0.001 0.000 0.279 232 R C 0.311 176.588 176.300 -0.039 0.000 0.976 232 R CA 0.385 56.469 56.100 -0.026 0.000 1.081 232 R CB 0.876 31.163 30.300 -0.021 0.000 1.215 232 R HN 0.514 nan 8.270 nan 0.000 0.546 233 G N 1.656 110.430 108.800 -0.044 0.000 2.160 233 G HA2 -0.275 3.686 3.960 0.001 0.000 0.251 233 G HA3 -0.275 3.686 3.960 0.001 0.000 0.251 233 G C 0.062 174.919 174.900 -0.071 0.000 1.008 233 G CA 0.027 45.082 45.100 -0.075 0.000 0.724 233 G HN 0.292 nan 8.290 nan 0.000 0.514 234 I N 0.157 120.709 120.570 -0.030 0.000 2.362 234 I HA 0.366 4.537 4.170 0.001 0.000 0.289 234 I C 0.546 176.681 176.117 0.030 0.000 0.994 234 I CA -0.803 60.482 61.300 -0.024 0.000 1.158 234 I CB 1.573 39.558 38.000 -0.025 0.000 1.315 234 I HN -0.061 nan 8.210 nan 0.000 0.451 235 K N 5.593 125.962 120.400 -0.050 0.000 2.090 235 K HA 0.586 4.907 4.320 0.001 0.000 0.250 235 K C -0.760 175.862 176.600 0.036 0.000 1.004 235 K CA -0.725 55.532 56.287 -0.051 0.000 0.919 235 K CB 1.494 33.740 32.500 -0.423 0.000 1.045 235 K HN 0.367 nan 8.250 nan 0.000 0.471 236 I N 3.242 123.869 120.570 0.095 0.000 2.389 236 I HA 0.302 4.472 4.170 0.001 0.000 0.288 236 I C -0.547 175.688 176.117 0.196 0.000 0.999 236 I CA -0.657 60.750 61.300 0.178 0.000 1.129 236 I CB 1.245 39.334 38.000 0.149 0.000 1.288 236 I HN 0.405 nan 8.210 nan 0.000 0.444 237 I N 6.921 127.654 120.570 0.273 0.000 2.389 237 I HA 0.434 4.605 4.170 0.001 0.000 0.288 237 I C 0.053 176.356 176.117 0.310 0.000 0.999 237 I CA -0.523 60.939 61.300 0.270 0.000 1.129 237 I CB 1.802 40.064 38.000 0.436 0.000 1.288 237 I HN 0.296 nan 8.210 nan 0.000 0.444 238 L N 4.394 125.663 121.223 0.076 0.000 2.360 238 L HA 0.435 4.776 4.340 0.001 0.000 0.271 238 L C 0.233 177.242 176.870 0.232 0.000 1.057 238 L CA -0.747 54.127 54.840 0.056 0.000 0.803 238 L CB 1.492 43.406 42.059 -0.242 0.000 1.207 238 L HN 0.454 nan 8.230 nan 0.000 0.445 239 D N 1.666 122.161 120.400 0.157 0.000 2.316 239 D HA 0.365 5.006 4.640 0.001 0.000 0.245 239 D C -0.579 175.780 176.300 0.098 0.000 1.171 239 D CA -0.092 54.026 54.000 0.196 0.000 0.856 239 D CB 1.732 42.604 40.800 0.120 0.000 1.090 239 D HN 0.545 nan 8.370 nan 0.000 0.476 240 A N 3.942 126.811 122.820 0.081 0.000 2.260 240 A HA 0.399 4.719 4.320 0.001 0.000 0.312 240 A C -0.160 177.201 177.584 -0.371 0.000 1.321 240 A CA -0.648 51.189 52.037 -0.333 0.000 0.928 240 A CB 0.701 19.083 19.000 -1.030 0.000 1.158 240 A HN 0.378 nan 8.150 nan 0.000 0.542 241 V N 4.561 124.425 119.914 -0.084 0.000 2.184 241 V HA 0.151 4.272 4.120 0.001 0.000 0.262 241 V C -0.072 176.167 176.094 0.240 0.000 1.209 241 V CA 0.061 62.394 62.300 0.055 0.000 1.070 241 V CB -0.920 30.980 31.823 0.129 0.000 1.244 241 V HN 0.840 nan 8.190 nan 0.000 0.477 242 F N 1.460 121.394 119.950 -0.027 0.000 2.749 242 F HA 0.160 4.688 4.527 0.001 0.000 0.300 242 F C 1.956 177.601 175.800 -0.258 0.000 1.103 242 F CA -0.208 57.691 58.000 -0.169 0.000 1.342 242 F CB -0.743 38.117 39.000 -0.233 0.000 1.098 242 F HN 0.457 nan 8.300 nan 0.000 0.586 243 N N 0.221 118.904 118.700 -0.028 0.000 2.216 243 N HA -0.115 4.626 4.740 0.001 0.000 0.183 243 N C -0.002 175.560 175.510 0.086 0.000 1.017 243 N CA 1.037 54.085 53.050 -0.004 0.000 0.861 243 N CB -0.011 38.548 38.487 0.119 0.000 0.986 243 N HN 0.421 nan 8.380 nan 0.000 0.428 244 H N -3.190 115.973 119.070 0.155 0.000 3.016 244 H HA 0.795 5.352 4.556 0.001 0.000 0.362 244 H C -1.134 174.304 175.328 0.184 0.000 1.233 244 H CA -0.886 55.264 56.048 0.170 0.000 1.124 244 H CB 1.165 31.040 29.762 0.188 0.000 1.850 244 H HN 0.040 nan 8.280 nan 0.000 0.549 245 A N 0.895 123.888 122.820 0.288 0.000 2.352 245 A HA 0.838 5.158 4.320 0.001 0.000 0.299 245 A C 0.394 178.087 177.584 0.182 0.000 1.160 245 A CA -0.532 51.616 52.037 0.186 0.000 0.933 245 A CB 0.545 19.572 19.000 0.045 0.000 1.387 245 A HN 1.066 nan 8.150 nan 0.000 0.487 246 G N -1.265 107.610 108.800 0.126 0.000 2.437 246 G HA2 0.424 4.385 3.960 0.001 0.000 0.319 246 G HA3 0.424 4.385 3.960 0.001 0.000 0.319 246 G C 0.053 174.988 174.900 0.058 0.000 1.158 246 G CA 0.327 45.489 45.100 0.103 0.000 0.899 246 G HN 0.789 nan 8.290 nan 0.000 0.502 247 D N -0.448 119.955 120.400 0.004 0.000 2.351 247 D HA -0.135 4.506 4.640 0.001 0.000 0.216 247 D C 1.477 177.940 176.300 0.271 0.000 0.968 247 D CA 0.922 54.947 54.000 0.042 0.000 0.899 247 D CB 0.314 41.200 40.800 0.143 0.000 0.907 247 D HN 0.257 nan 8.370 nan 0.000 0.514 248 Q N -0.707 119.215 119.800 0.203 0.000 2.319 248 Q HA 0.123 4.463 4.340 0.001 0.000 0.202 248 Q C -0.090 176.056 176.000 0.243 0.000 0.896 248 Q CA -0.352 55.565 55.803 0.191 0.000 0.942 248 Q CB -0.167 28.652 28.738 0.135 0.000 1.083 248 Q HN 0.390 nan 8.270 nan 0.000 0.510 249 F N 2.327 122.348 119.950 0.118 0.000 2.607 249 F HA -0.097 4.431 4.527 0.001 0.000 0.374 249 F C 1.238 177.058 175.800 0.035 0.000 1.104 249 F CA -1.072 57.001 58.000 0.121 0.000 1.296 249 F CB 0.328 39.429 39.000 0.170 0.000 1.085 249 F HN 0.075 nan 8.300 nan 0.000 0.584 250 F N 4.409 124.111 119.950 -0.414 0.000 2.120 250 F HA -0.150 4.378 4.527 0.001 0.000 0.300 250 F C 1.782 177.154 175.800 -0.714 0.000 1.095 250 F CA 1.570 59.267 58.000 -0.506 0.000 1.249 250 F CB -1.483 37.232 39.000 -0.474 0.000 0.995 250 F HN 0.414 nan 8.300 nan 0.000 0.480 251 A N 0.130 121.480 122.820 -2.450 0.000 1.933 251 A HA -0.116 4.205 4.320 0.001 0.000 0.218 251 A C 2.156 179.463 177.584 -0.463 0.000 1.175 251 A CA 1.478 52.467 52.037 -1.746 0.000 0.628 251 A CB -1.540 16.409 19.000 -1.753 0.000 0.814 251 A HN 0.526 nan 8.150 nan 0.000 0.444 252 F N 0.575 120.323 119.950 -0.336 0.000 2.259 252 F HA -0.048 4.480 4.527 0.001 0.000 0.298 252 F C 2.407 178.023 175.800 -0.306 0.000 1.088 252 F CA 1.104 58.851 58.000 -0.422 0.000 1.358 252 F CB -0.084 38.670 39.000 -0.410 0.000 1.040 252 F HN 0.078 nan 8.300 nan 0.000 0.505 253 R N 0.017 120.406 120.500 -0.185 0.000 2.091 253 R HA -0.208 4.133 4.340 0.001 0.000 0.238 253 R C 1.816 177.981 176.300 -0.225 0.000 1.136 253 R CA 1.812 57.808 56.100 -0.173 0.000 0.959 253 R CB -1.078 29.178 30.300 -0.073 0.000 0.856 253 R HN 0.332 nan 8.270 nan 0.000 0.437 254 D N 0.193 120.460 120.400 -0.222 0.000 2.178 254 D HA -0.102 4.539 4.640 0.001 0.000 0.201 254 D C 1.780 177.981 176.300 -0.165 0.000 0.980 254 D CA 0.663 54.578 54.000 -0.142 0.000 0.842 254 D CB 0.271 41.032 40.800 -0.066 0.000 0.948 254 D HN -0.070 nan 8.370 nan 0.000 0.472 255 V N 0.225 119.975 119.914 -0.274 0.000 2.548 255 V HA -0.139 3.981 4.120 0.001 0.000 0.249 255 V C 2.384 178.267 176.094 -0.352 0.000 1.055 255 V CA 0.999 63.123 62.300 -0.294 0.000 1.065 255 V CB -0.317 31.246 31.823 -0.433 0.000 0.681 255 V HN 0.318 nan 8.190 nan 0.000 0.462 256 L N -0.594 120.333 121.223 -0.493 0.000 2.217 256 L HA -0.136 4.205 4.340 0.001 0.000 0.211 256 L C 2.464 179.226 176.870 -0.181 0.000 1.107 256 L CA 1.097 55.724 54.840 -0.356 0.000 0.783 256 L CB -0.279 41.564 42.059 -0.360 0.000 0.919 256 L HN 0.336 nan 8.230 nan 0.000 0.442 257 Q N 0.256 119.958 119.800 -0.163 0.000 2.259 257 Q HA -0.034 4.307 4.340 0.001 0.000 0.201 257 Q C 1.651 177.593 176.000 -0.096 0.000 0.938 257 Q CA 1.303 57.044 55.803 -0.104 0.000 0.872 257 Q CB 0.367 29.053 28.738 -0.086 0.000 0.971 257 Q HN 0.254 nan 8.270 nan 0.000 0.494 258 K N -0.799 119.533 120.400 -0.114 0.000 2.358 258 K HA 0.314 4.635 4.320 0.001 0.000 0.197 258 K C 0.835 177.328 176.600 -0.179 0.000 1.025 258 K CA 0.308 56.523 56.287 -0.121 0.000 1.104 258 K CB 0.755 33.191 32.500 -0.106 0.000 0.855 258 K HN 0.301 nan 8.250 nan 0.000 0.531 259 G N 3.308 112.001 108.800 -0.178 0.000 2.634 259 G HA2 -0.451 3.510 3.960 0.001 0.000 0.309 259 G HA3 -0.451 3.510 3.960 0.001 0.000 0.309 259 G C 0.775 175.247 174.900 -0.714 0.000 1.265 259 G CA 0.887 45.816 45.100 -0.286 0.000 0.998 259 G HN 0.577 nan 8.290 nan 0.000 0.551 260 E N 0.421 119.849 120.200 -1.287 0.000 2.515 260 E HA -0.002 4.348 4.350 0.001 0.000 0.201 260 E C 1.876 178.170 176.600 -0.511 0.000 1.071 260 E CA 1.458 57.074 56.400 -1.306 0.000 0.880 260 E CB -0.011 29.037 29.700 -1.087 0.000 0.828 260 E HN 0.504 nan 8.360 nan 0.000 0.540 261 Q N 0.839 120.421 119.800 -0.363 0.000 2.402 261 Q HA 0.055 4.396 4.340 0.001 0.000 0.206 261 Q C 0.745 176.645 176.000 -0.167 0.000 0.919 261 Q CA 0.631 56.307 55.803 -0.212 0.000 0.923 261 Q CB 0.716 29.356 28.738 -0.164 0.000 1.048 261 Q HN 0.342 nan 8.270 nan 0.000 0.515 262 S N 0.679 116.280 115.700 -0.166 0.000 2.562 262 S HA 0.183 4.653 4.470 0.001 0.000 0.281 262 S C 0.937 175.454 174.600 -0.138 0.000 1.333 262 S CA -0.490 57.648 58.200 -0.103 0.000 1.052 262 S CB 1.471 64.644 63.200 -0.045 0.000 0.884 262 S HN 0.021 nan 8.310 nan 0.000 0.506 263 R N 1.110 121.464 120.500 -0.245 0.000 2.316 263 R HA 0.030 4.371 4.340 0.001 0.000 0.202 263 R C -0.096 175.808 176.300 -0.661 0.000 1.029 263 R CA 0.844 56.675 56.100 -0.449 0.000 1.018 263 R CB -0.505 29.435 30.300 -0.599 0.000 0.888 263 R HN 0.883 nan 8.270 nan 0.000 0.471 264 Y N -0.147 120.004 120.300 -0.249 0.000 2.584 264 Y HA 0.112 4.663 4.550 0.001 0.000 0.254 264 Y C 1.697 177.618 175.900 0.036 0.000 1.177 264 Y CA -0.326 57.530 58.100 -0.407 0.000 1.216 264 Y CB 0.286 38.346 38.460 -0.667 0.000 1.172 264 Y HN -0.006 nan 8.280 nan 0.000 0.529 265 K N -0.473 120.047 120.400 0.199 0.000 2.147 265 K HA -0.155 4.166 4.320 0.001 0.000 0.205 265 K C 0.321 177.141 176.600 0.366 0.000 1.049 265 K CA 1.930 58.426 56.287 0.348 0.000 0.936 265 K CB -0.085 32.594 32.500 0.297 0.000 0.722 265 K HN 0.136 nan 8.250 nan 0.000 0.446 266 D N -0.241 120.315 120.400 0.260 0.000 2.349 266 D HA -0.032 4.608 4.640 0.001 0.000 0.224 266 D C 0.551 176.941 176.300 0.150 0.000 1.029 266 D CA 0.328 54.430 54.000 0.170 0.000 0.879 266 D CB -0.049 40.817 40.800 0.109 0.000 0.906 266 D HN 0.358 nan 8.370 nan 0.000 0.528 267 W N 0.096 121.301 121.300 -0.158 0.000 3.047 267 W HA 0.150 4.811 4.660 0.001 0.000 0.250 267 W C 0.292 176.322 176.519 -0.815 0.000 1.314 267 W CA -0.095 56.942 57.345 -0.513 0.000 1.540 267 W CB -0.164 28.898 29.460 -0.663 0.000 1.127 267 W HN -0.182 nan 8.180 nan 0.000 0.679 268 F N -2.322 117.751 119.950 0.205 0.000 2.764 268 F HA 0.458 4.986 4.527 0.001 0.000 0.347 268 F C -0.714 175.072 175.800 -0.023 0.000 1.151 268 F CA -1.779 56.326 58.000 0.176 0.000 1.021 268 F CB 0.315 39.505 39.000 0.315 0.000 1.438 268 F HN -0.538 nan 8.300 nan 0.000 0.516 269 F N 2.255 122.435 119.950 0.383 0.000 2.300 269 F HA 0.498 5.026 4.527 0.001 0.000 0.364 269 F C -0.367 175.569 175.800 0.226 0.000 1.090 269 F CA -0.316 57.825 58.000 0.236 0.000 1.200 269 F CB 0.344 39.450 39.000 0.178 0.000 1.493 269 F HN -0.001 nan 8.300 nan 0.000 0.518 270 I N 2.623 123.342 120.570 0.249 0.000 2.392 270 I HA 0.255 4.426 4.170 0.001 0.000 0.295 270 I C 0.871 176.952 176.117 -0.061 0.000 0.985 270 I CA -0.326 61.021 61.300 0.078 0.000 1.221 270 I CB 1.904 39.831 38.000 -0.121 0.000 1.366 270 I HN 0.579 nan 8.210 nan 0.000 0.467 271 E N 3.605 123.751 120.200 -0.090 0.000 2.121 271 E HA 0.034 4.385 4.350 0.001 0.000 0.194 271 E C -0.656 175.829 176.600 -0.193 0.000 0.940 271 E CA 0.007 56.351 56.400 -0.094 0.000 0.884 271 E CB 0.145 29.831 29.700 -0.024 0.000 0.874 271 E HN 0.697 nan 8.360 nan 0.000 0.471 272 D N 0.447 120.722 120.400 -0.208 0.000 2.402 272 D HA 0.254 4.895 4.640 0.001 0.000 0.252 272 D C -1.178 175.042 176.300 -0.133 0.000 1.294 272 D CA -0.613 53.291 54.000 -0.160 0.000 0.948 272 D CB 0.208 40.986 40.800 -0.037 0.000 1.202 272 D HN -0.003 nan 8.370 nan 0.000 0.561 273 F N 1.897 121.877 119.950 0.051 0.000 2.563 273 F HA 0.246 4.774 4.527 0.001 0.000 0.363 273 F C -0.982 174.833 175.800 0.025 0.000 1.123 273 F CA -1.438 56.581 58.000 0.033 0.000 1.307 273 F CB -0.174 38.834 39.000 0.014 0.000 1.115 273 F HN 0.224 nan 8.300 nan 0.000 0.592 274 P HA -0.020 nan 4.420 nan 0.000 0.265 274 P C 0.606 177.999 177.300 0.155 0.000 1.193 274 P CA -0.101 63.104 63.100 0.175 0.000 0.765 274 P CB 0.888 32.646 31.700 0.098 0.000 0.823 275 V N 1.269 121.291 119.914 0.180 0.000 3.207 275 V HA -0.128 3.993 4.120 0.001 0.000 0.273 275 V C 1.068 177.292 176.094 0.218 0.000 1.182 275 V CA 1.627 64.017 62.300 0.151 0.000 1.186 275 V CB -1.299 30.532 31.823 0.013 0.000 0.801 275 V HN 0.775 nan 8.190 nan 0.000 0.548 276 S N -0.845 114.946 115.700 0.151 0.000 2.709 276 S HA 0.435 4.906 4.470 0.001 0.000 0.305 276 S C -1.056 173.593 174.600 0.082 0.000 0.974 276 S CA -1.161 57.127 58.200 0.146 0.000 0.837 276 S CB 1.308 64.653 63.200 0.241 0.000 1.032 276 S HN 0.540 nan 8.310 nan 0.000 0.461 277 K N 1.952 122.381 120.400 0.048 0.000 2.664 277 K HA 0.531 4.851 4.320 0.001 0.000 0.234 277 K C -1.110 175.496 176.600 0.009 0.000 0.980 277 K CA -0.173 56.130 56.287 0.026 0.000 0.996 277 K CB 0.904 33.412 32.500 0.013 0.000 1.190 277 K HN 0.335 nan 8.250 nan 0.000 0.479 278 T N 2.712 117.279 114.554 0.022 0.000 2.782 278 T HA 0.325 4.676 4.350 0.001 0.000 0.298 278 T C 0.099 174.795 174.700 -0.007 0.000 0.944 278 T CA -0.181 61.921 62.100 0.005 0.000 1.001 278 T CB 0.477 69.373 68.868 0.046 0.000 0.932 278 T HN 0.697 nan 8.240 nan 0.000 0.524 279 S N 2.386 118.067 115.700 -0.033 0.000 1.540 279 S HA 0.081 4.552 4.470 0.001 0.000 0.173 279 S C 0.636 175.203 174.600 -0.055 0.000 0.670 279 S CA -0.465 57.715 58.200 -0.033 0.000 1.643 279 S CB 0.175 63.362 63.200 -0.021 0.000 0.977 279 S HN 0.520 nan 8.310 nan 0.000 0.367 280 R N 2.803 123.264 120.500 -0.064 0.000 2.638 280 R HA 0.390 4.730 4.340 0.001 0.000 0.269 280 R C -0.899 175.330 176.300 -0.118 0.000 1.393 280 R CA 0.100 56.151 56.100 -0.081 0.000 1.531 280 R CB -0.346 29.921 30.300 -0.055 0.000 1.327 280 R HN 0.072 nan 8.270 nan 0.000 0.709 281 T N 2.041 116.480 114.554 -0.191 0.000 2.872 281 T HA -0.098 4.253 4.350 0.001 0.000 0.292 281 T C 0.805 175.324 174.700 -0.302 0.000 1.036 281 T CA 0.893 62.776 62.100 -0.362 0.000 1.136 281 T CB 0.111 68.590 68.868 -0.650 0.000 1.052 281 T HN 0.583 nan 8.240 nan 0.000 0.512 282 N N 2.580 121.151 118.700 -0.214 0.000 2.451 282 N HA 0.089 4.830 4.740 0.001 0.000 0.264 282 N C -0.712 174.835 175.510 0.062 0.000 1.167 282 N CA -0.546 52.468 53.050 -0.060 0.000 0.898 282 N CB -0.087 38.401 38.487 0.000 0.000 1.176 282 N HN 0.786 nan 8.380 nan 0.000 0.507 283 Y N -2.957 117.374 120.300 0.052 0.000 2.552 283 Y HA 0.503 5.054 4.550 0.001 0.000 0.337 283 Y C -0.446 175.512 175.900 0.096 0.000 1.094 283 Y CA -1.421 56.743 58.100 0.106 0.000 1.028 283 Y CB 0.601 39.169 38.460 0.180 0.000 1.321 283 Y HN -0.098 nan 8.280 nan 0.000 0.456 284 E N 1.712 122.092 120.200 0.299 0.000 2.392 284 E HA 0.397 4.748 4.350 0.001 0.000 0.264 284 E C -0.379 176.341 176.600 0.199 0.000 1.024 284 E CA 0.305 56.786 56.400 0.135 0.000 0.903 284 E CB 0.867 30.583 29.700 0.026 0.000 0.963 284 E HN 0.850 nan 8.360 nan 0.000 0.432 285 T N 0.718 115.303 114.554 0.052 0.000 2.864 285 T HA 0.364 4.714 4.350 0.001 0.000 0.289 285 T C -0.325 174.375 174.700 -0.001 0.000 1.082 285 T CA -0.918 61.227 62.100 0.076 0.000 1.009 285 T CB 0.573 69.450 68.868 0.016 0.000 1.234 285 T HN 0.396 nan 8.240 nan 0.000 0.526 286 F N 2.206 122.051 119.950 -0.175 0.000 2.506 286 F HA 0.452 4.980 4.527 0.001 0.000 0.351 286 F C 1.055 176.745 175.800 -0.184 0.000 1.136 286 F CA 0.706 58.555 58.000 -0.252 0.000 1.298 286 F CB -0.384 38.222 39.000 -0.657 0.000 1.145 286 F HN 1.355 nan 8.300 nan 0.000 0.593 287 A N 2.522 124.605 122.820 -1.229 0.000 5.584 287 A HA -0.233 4.088 4.320 0.001 0.000 0.303 287 A C -0.559 176.750 177.584 -0.457 0.000 1.923 287 A CA 0.902 52.356 52.037 -0.971 0.000 0.717 287 A CB -2.153 16.130 19.000 -1.194 0.000 1.281 287 A HN 1.354 nan 8.150 nan 0.000 0.379 288 V N 1.012 120.721 119.914 -0.341 0.000 2.417 288 V HA 0.551 4.672 4.120 0.001 0.000 0.291 288 V C 0.016 176.013 176.094 -0.161 0.000 1.024 288 V CA 0.284 62.454 62.300 -0.216 0.000 0.861 288 V CB 1.330 33.045 31.823 -0.181 0.000 0.985 288 V HN 0.989 nan 8.190 nan 0.000 0.436 289 Q N 2.491 122.202 119.800 -0.148 0.000 2.448 289 Q HA -0.153 4.188 4.340 0.001 0.000 0.356 289 Q C -0.499 175.446 176.000 -0.092 0.000 1.430 289 Q CA 0.372 56.097 55.803 -0.131 0.000 1.011 289 Q CB -0.908 27.764 28.738 -0.110 0.000 1.203 289 Q HN 0.619 nan 8.270 nan 0.000 0.351 290 V N 1.323 121.194 119.914 -0.072 0.000 2.315 290 V HA 0.097 4.218 4.120 0.001 0.000 0.265 290 V C -1.449 174.667 176.094 0.037 0.000 1.019 290 V CA -1.068 61.233 62.300 0.002 0.000 0.824 290 V CB 1.505 33.365 31.823 0.061 0.000 1.072 290 V HN 0.155 nan 8.190 nan 0.000 0.448 291 P HA -0.249 nan 4.420 nan 0.000 0.218 291 P C 1.638 179.059 177.300 0.203 0.000 1.152 291 P CA 1.988 65.173 63.100 0.141 0.000 0.857 291 P CB 0.334 32.105 31.700 0.117 0.000 0.787 292 A N -1.691 121.209 122.820 0.133 0.000 2.121 292 A HA -0.039 4.282 4.320 0.001 0.000 0.218 292 A C 1.368 179.001 177.584 0.081 0.000 1.154 292 A CA 1.088 53.194 52.037 0.114 0.000 0.679 292 A CB -0.872 18.206 19.000 0.130 0.000 0.795 292 A HN 0.172 nan 8.150 nan 0.000 0.458 293 M N 1.513 121.163 119.600 0.084 0.000 2.386 293 M HA 0.243 4.724 4.480 0.001 0.000 0.245 293 M C -2.865 173.491 176.300 0.093 0.000 0.982 293 M CA -1.770 53.574 55.300 0.072 0.000 0.860 293 M CB 1.507 34.069 32.600 -0.063 0.000 1.371 293 M HN -0.029 nan 8.290 nan 0.000 0.425 294 P HA 0.084 nan 4.420 nan 0.000 0.276 294 P C -0.746 176.726 177.300 0.286 0.000 1.235 294 P CA -0.077 63.048 63.100 0.041 0.000 0.772 294 P CB 0.846 32.078 31.700 -0.780 0.000 0.871 295 K N 4.008 124.629 120.400 0.369 0.000 2.448 295 K HA 0.141 4.462 4.320 0.001 0.000 0.278 295 K C -0.299 176.599 176.600 0.497 0.000 1.009 295 K CA -0.280 56.244 56.287 0.396 0.000 0.995 295 K CB 0.081 32.727 32.500 0.242 0.000 0.917 295 K HN 0.467 nan 8.250 nan 0.000 0.481 296 L N 4.359 125.773 121.223 0.319 0.000 2.312 296 L HA 0.318 4.659 4.340 0.001 0.000 0.281 296 L C 0.780 177.732 176.870 0.137 0.000 1.070 296 L CA -0.473 54.440 54.840 0.122 0.000 0.805 296 L CB 1.169 43.189 42.059 -0.064 0.000 1.174 296 L HN 0.609 nan 8.230 nan 0.000 0.434 297 R N 1.270 121.736 120.500 -0.057 0.000 3.266 297 R HA 0.045 4.386 4.340 0.001 0.000 0.224 297 R C 1.075 177.238 176.300 -0.227 0.000 1.525 297 R CA 0.005 56.025 56.100 -0.132 0.000 1.364 297 R CB 0.141 30.161 30.300 -0.467 0.000 1.276 297 R HN 0.835 nan 8.270 nan 0.000 0.660 298 T N -1.148 113.280 114.554 -0.211 0.000 3.025 298 T HA -0.098 4.252 4.350 0.001 0.000 0.270 298 T C 1.032 175.619 174.700 -0.188 0.000 1.126 298 T CA 0.994 62.888 62.100 -0.343 0.000 1.105 298 T CB 0.038 68.464 68.868 -0.736 0.000 0.884 298 T HN 0.569 nan 8.240 nan 0.000 0.522 299 E N 1.119 121.243 120.200 -0.128 0.000 2.358 299 E HA 0.036 4.387 4.350 0.001 0.000 0.195 299 E C 0.760 177.284 176.600 -0.126 0.000 1.010 299 E CA -0.113 56.241 56.400 -0.077 0.000 0.856 299 E CB 0.005 29.692 29.700 -0.021 0.000 0.795 299 E HN 0.419 nan 8.360 nan 0.000 0.504 300 N N 1.369 119.946 118.700 -0.205 0.000 2.431 300 N HA -0.001 4.740 4.740 0.001 0.000 0.265 300 N C -2.050 173.295 175.510 -0.276 0.000 1.184 300 N CA -1.661 51.245 53.050 -0.240 0.000 0.943 300 N CB 1.194 39.480 38.487 -0.335 0.000 1.080 300 N HN -0.202 nan 8.380 nan 0.000 0.477 301 P HA -0.141 nan 4.420 nan 0.000 0.218 301 P C 0.525 177.672 177.300 -0.255 0.000 1.146 301 P CA 1.387 64.364 63.100 -0.205 0.000 0.813 301 P CB 0.384 32.011 31.700 -0.122 0.000 0.778 302 E N -0.835 119.202 120.200 -0.272 0.000 2.072 302 E HA -0.087 4.264 4.350 0.001 0.000 0.190 302 E C 1.987 178.202 176.600 -0.641 0.000 0.982 302 E CA 0.969 57.207 56.400 -0.271 0.000 0.803 302 E CB -0.600 29.076 29.700 -0.040 0.000 0.755 302 E HN 0.069 nan 8.360 nan 0.000 0.453 303 V N 2.039 121.350 119.914 -1.005 0.000 2.295 303 V HA -0.294 3.827 4.120 0.001 0.000 0.246 303 V C 2.452 178.203 176.094 -0.572 0.000 1.049 303 V CA 2.042 63.686 62.300 -1.094 0.000 1.024 303 V CB -0.498 30.792 31.823 -0.888 0.000 0.648 303 V HN 0.214 nan 8.190 nan 0.000 0.447 304 K N 0.196 120.308 120.400 -0.479 0.000 2.032 304 K HA -0.287 4.034 4.320 0.001 0.000 0.209 304 K C 2.196 178.329 176.600 -0.778 0.000 1.048 304 K CA 2.111 58.048 56.287 -0.584 0.000 0.927 304 K CB -0.174 31.933 32.500 -0.656 0.000 0.712 304 K HN 0.404 nan 8.250 nan 0.000 0.441 305 E N -0.042 119.866 120.200 -0.487 0.000 2.051 305 E HA -0.231 4.119 4.350 0.001 0.000 0.192 305 E C 1.821 178.368 176.600 -0.088 0.000 0.991 305 E CA 1.565 57.814 56.400 -0.252 0.000 0.799 305 E CB -0.494 29.145 29.700 -0.102 0.000 0.748 305 E HN 0.472 nan 8.360 nan 0.000 0.449 306 Y N 0.550 120.749 120.300 -0.169 0.000 2.097 306 Y HA -0.181 4.370 4.550 0.001 0.000 0.282 306 Y C 1.975 177.833 175.900 -0.069 0.000 1.152 306 Y CA 2.054 60.149 58.100 -0.009 0.000 1.136 306 Y CB -0.285 38.234 38.460 0.097 0.000 0.975 306 Y HN 0.052 nan 8.280 nan 0.000 0.498 307 L N -1.011 120.142 121.223 -0.118 0.000 2.131 307 L HA -0.238 4.103 4.340 0.001 0.000 0.210 307 L C 2.370 179.171 176.870 -0.116 0.000 1.092 307 L CA 1.301 55.919 54.840 -0.371 0.000 0.759 307 L CB -0.692 40.946 42.059 -0.702 0.000 0.903 307 L HN 0.305 nan 8.230 nan 0.000 0.435 308 F N 0.061 119.876 119.950 -0.226 0.000 2.234 308 F HA -0.202 4.325 4.527 0.001 0.000 0.299 308 F C 2.291 178.077 175.800 -0.023 0.000 1.087 308 F CA 0.199 58.145 58.000 -0.089 0.000 1.340 308 F CB -0.056 38.881 39.000 -0.105 0.000 1.031 308 F HN 0.172 nan 8.300 nan 0.000 0.500 309 D N 0.190 120.655 120.400 0.108 0.000 2.144 309 D HA -0.130 4.511 4.640 0.001 0.000 0.200 309 D C 2.376 178.713 176.300 0.062 0.000 0.978 309 D CA 0.949 54.974 54.000 0.041 0.000 0.833 309 D CB -0.434 40.321 40.800 -0.075 0.000 0.961 309 D HN 0.053 nan 8.370 nan 0.000 0.470 310 V N 1.510 121.423 119.914 -0.002 0.000 2.295 310 V HA -0.250 3.871 4.120 0.001 0.000 0.246 310 V C 2.550 178.970 176.094 0.543 0.000 1.049 310 V CA 1.866 64.276 62.300 0.182 0.000 1.024 310 V CB -0.799 31.128 31.823 0.173 0.000 0.648 310 V HN 0.178 nan 8.190 nan 0.000 0.447 311 A N -0.151 122.972 122.820 0.505 0.000 1.902 311 A HA -0.222 4.099 4.320 0.001 0.000 0.217 311 A C 2.379 180.342 177.584 0.632 0.000 1.181 311 A CA 1.805 54.241 52.037 0.665 0.000 0.623 311 A CB -0.501 18.768 19.000 0.447 0.000 0.818 311 A HN 0.503 nan 8.150 nan 0.000 0.443 312 R N -1.860 118.856 120.500 0.358 0.000 2.083 312 R HA -0.158 4.183 4.340 0.001 0.000 0.237 312 R C 2.062 178.501 176.300 0.231 0.000 1.137 312 R CA 1.707 57.954 56.100 0.245 0.000 0.951 312 R CB -0.654 29.736 30.300 0.152 0.000 0.851 312 R HN 0.609 nan 8.270 nan 0.000 0.434 313 F N 0.209 120.191 119.950 0.054 0.000 2.091 313 F HA -0.262 4.266 4.527 0.001 0.000 0.299 313 F C 1.705 177.415 175.800 -0.150 0.000 1.103 313 F CA 1.630 59.542 58.000 -0.148 0.000 1.228 313 F CB -0.332 38.440 39.000 -0.380 0.000 0.984 313 F HN 0.029 nan 8.300 nan 0.000 0.477 314 W N -0.046 121.475 121.300 0.368 0.000 2.436 314 W HA -0.089 4.572 4.660 0.001 0.000 0.284 314 W C 2.414 179.041 176.519 0.181 0.000 1.225 314 W CA 0.787 58.300 57.345 0.280 0.000 1.271 314 W CB -0.426 29.381 29.460 0.578 0.000 1.114 314 W HN -0.003 nan 8.180 nan 0.000 0.559 315 M N -0.109 119.750 119.600 0.432 0.000 2.296 315 M HA -0.158 4.323 4.480 0.001 0.000 0.265 315 M C 1.526 177.902 176.300 0.127 0.000 1.064 315 M CA 1.478 56.943 55.300 0.276 0.000 1.109 315 M CB -0.367 32.422 32.600 0.315 0.000 1.396 315 M HN 0.038 nan 8.290 nan 0.000 0.430 316 E N -0.040 120.176 120.200 0.027 0.000 2.347 316 E HA -0.141 4.210 4.350 0.001 0.000 0.196 316 E C 1.546 178.093 176.600 -0.088 0.000 1.008 316 E CA 0.528 56.888 56.400 -0.065 0.000 0.852 316 E CB 0.147 29.748 29.700 -0.164 0.000 0.783 316 E HN 0.459 nan 8.360 nan 0.000 0.505 317 Q N -0.759 119.013 119.800 -0.046 0.000 2.403 317 Q HA 0.075 4.415 4.340 0.001 0.000 0.203 317 Q C 1.101 177.149 176.000 0.080 0.000 0.932 317 Q CA 0.687 56.512 55.803 0.036 0.000 0.945 317 Q CB 1.108 30.000 28.738 0.255 0.000 1.045 317 Q HN 0.377 nan 8.270 nan 0.000 0.511 318 G N 1.813 110.667 108.800 0.090 0.000 2.131 318 G HA2 -0.252 3.709 3.960 0.001 0.000 0.223 318 G HA3 -0.252 3.709 3.960 0.001 0.000 0.223 318 G C 0.334 175.323 174.900 0.148 0.000 0.990 318 G CA 0.307 45.471 45.100 0.108 0.000 0.671 318 G HN 0.471 nan 8.290 nan 0.000 0.521 319 I N -2.819 117.836 120.570 0.141 0.000 3.004 319 I HA 0.509 4.680 4.170 0.001 0.000 0.287 319 I C 0.516 176.674 176.117 0.068 0.000 1.144 319 I CA -0.228 61.132 61.300 0.101 0.000 1.353 319 I CB 0.626 38.655 38.000 0.048 0.000 1.417 319 I HN -0.077 nan 8.210 nan 0.000 0.602 320 D N 2.436 122.870 120.400 0.057 0.000 2.398 320 D HA 0.335 4.976 4.640 0.001 0.000 0.210 320 D C 0.530 176.935 176.300 0.175 0.000 1.094 320 D CA 0.349 54.392 54.000 0.072 0.000 0.839 320 D CB 1.201 41.964 40.800 -0.063 0.000 0.963 320 D HN 0.905 nan 8.370 nan 0.000 0.506 321 G N 0.294 109.102 108.800 0.014 0.000 2.324 321 G HA2 0.290 4.251 3.960 0.001 0.000 0.293 321 G HA3 0.290 4.251 3.960 0.001 0.000 0.293 321 G C -2.254 172.526 174.900 -0.199 0.000 1.297 321 G CA -1.091 44.037 45.100 0.046 0.000 0.853 321 G HN 0.040 nan 8.290 nan 0.000 0.535 322 W N -0.284 121.122 121.300 0.177 0.000 2.936 322 W HA 0.789 5.450 4.660 0.001 0.000 0.338 322 W C 0.153 176.601 176.519 -0.119 0.000 1.121 322 W CA -0.905 56.503 57.345 0.105 0.000 1.209 322 W CB 2.147 31.725 29.460 0.196 0.000 1.420 322 W HN 0.492 nan 8.180 nan 0.000 0.516 323 R N 2.938 123.502 120.500 0.106 0.000 2.343 323 R HA 0.533 4.874 4.340 0.001 0.000 0.320 323 R C -1.272 174.927 176.300 -0.169 0.000 0.956 323 R CA -0.608 55.348 56.100 -0.240 0.000 0.836 323 R CB 0.791 30.871 30.300 -0.367 0.000 1.151 323 R HN 0.690 nan 8.270 nan 0.000 0.450 324 L N 4.792 125.773 121.223 -0.404 0.000 2.259 324 L HA 0.280 4.621 4.340 0.001 0.000 0.288 324 L C 0.761 177.478 176.870 -0.254 0.000 1.051 324 L CA -0.411 54.170 54.840 -0.432 0.000 0.824 324 L CB 0.843 42.355 42.059 -0.911 0.000 1.206 324 L HN 0.550 nan 8.230 nan 0.000 0.429 325 N N 2.546 121.200 118.700 -0.075 0.000 2.454 325 N HA 0.012 4.753 4.740 0.001 0.000 0.260 325 N C 0.633 176.167 175.510 0.039 0.000 1.218 325 N CA -0.236 52.843 53.050 0.047 0.000 0.904 325 N CB 0.933 39.516 38.487 0.161 0.000 1.065 325 N HN 0.474 nan 8.380 nan 0.000 0.462 326 V N 2.450 122.408 119.914 0.074 0.000 5.043 326 V HA -0.339 3.782 4.120 0.001 0.000 0.267 326 V C 1.742 177.901 176.094 0.109 0.000 0.597 326 V CA 1.095 63.469 62.300 0.124 0.000 0.703 326 V CB -2.642 29.321 31.823 0.233 0.000 0.558 326 V HN 0.852 nan 8.190 nan 0.000 1.038 327 A N 1.685 124.506 122.820 0.001 0.000 1.986 327 A HA -0.227 4.094 4.320 0.001 0.000 0.220 327 A C 1.902 179.585 177.584 0.165 0.000 1.171 327 A CA 2.050 54.115 52.037 0.047 0.000 0.640 327 A CB -0.443 18.257 19.000 -0.500 0.000 0.811 327 A HN 1.065 nan 8.150 nan 0.000 0.451 328 N N -0.031 118.616 118.700 -0.089 0.000 2.571 328 N HA -0.077 4.664 4.740 0.001 0.000 0.189 328 N C 0.738 176.383 175.510 0.225 0.000 1.154 328 N CA 1.099 54.118 53.050 -0.051 0.000 0.907 328 N CB -0.362 37.992 38.487 -0.220 0.000 0.977 328 N HN 0.688 nan 8.380 nan 0.000 0.449 329 E N -0.117 120.202 120.200 0.198 0.000 2.498 329 E HA 0.081 4.432 4.350 0.001 0.000 0.203 329 E C 0.071 176.737 176.600 0.109 0.000 1.013 329 E CA -0.240 56.254 56.400 0.155 0.000 0.927 329 E CB 1.036 30.816 29.700 0.134 0.000 1.012 329 E HN 0.311 nan 8.360 nan 0.000 0.482 330 V N 0.035 120.030 119.914 0.135 0.000 2.850 330 V HA 0.265 4.386 4.120 0.001 0.000 0.315 330 V C -0.240 175.818 176.094 -0.060 0.000 1.064 330 V CA -1.153 61.084 62.300 -0.106 0.000 0.979 330 V CB 1.706 33.245 31.823 -0.474 0.000 1.039 330 V HN 0.040 nan 8.190 nan 0.000 0.452 331 D N 1.731 122.044 120.400 -0.145 0.000 2.382 331 D HA 0.016 4.657 4.640 0.001 0.000 0.240 331 D C 0.671 177.000 176.300 0.048 0.000 1.146 331 D CA 0.287 54.277 54.000 -0.017 0.000 0.897 331 D CB 0.770 41.589 40.800 0.032 0.000 1.197 331 D HN 0.780 nan 8.370 nan 0.000 0.432 332 H N 0.957 120.168 119.070 0.236 0.000 2.387 332 H HA -0.068 4.488 4.556 0.001 0.000 0.299 332 H C 2.119 177.587 175.328 0.234 0.000 1.090 332 H CA 2.313 58.523 56.048 0.270 0.000 1.332 332 H CB 0.007 29.823 29.762 0.089 0.000 1.386 332 H HN 0.642 nan 8.280 nan 0.000 0.516 333 A N 0.590 123.571 122.820 0.269 0.000 1.902 333 A HA -0.211 4.109 4.320 0.001 0.000 0.217 333 A C 2.134 179.855 177.584 0.229 0.000 1.181 333 A CA 1.511 53.668 52.037 0.200 0.000 0.623 333 A CB -0.997 18.080 19.000 0.128 0.000 0.818 333 A HN 0.485 nan 8.150 nan 0.000 0.443 334 F N -0.764 119.189 119.950 0.005 0.000 2.126 334 F HA -0.223 4.304 4.527 0.001 0.000 0.299 334 F C 2.018 177.911 175.800 0.154 0.000 1.096 334 F CA 1.819 59.783 58.000 -0.061 0.000 1.255 334 F CB -0.439 38.307 39.000 -0.423 0.000 0.997 334 F HN 0.438 nan 8.300 nan 0.000 0.479 335 W N 0.330 121.977 121.300 0.577 0.000 2.418 335 W HA -0.057 4.603 4.660 0.001 0.000 0.292 335 W C 2.583 179.313 176.519 0.352 0.000 1.213 335 W CA 0.484 58.147 57.345 0.529 0.000 1.283 335 W CB -0.308 29.453 29.460 0.502 0.000 1.119 335 W HN -0.197 nan 8.180 nan 0.000 0.542 336 R N 0.592 121.363 120.500 0.452 0.000 2.075 336 R HA -0.134 4.207 4.340 0.001 0.000 0.232 336 R C 1.775 178.198 176.300 0.206 0.000 1.126 336 R CA 1.522 57.779 56.100 0.261 0.000 0.963 336 R CB -0.440 29.960 30.300 0.168 0.000 0.858 336 R HN 0.338 nan 8.270 nan 0.000 0.435 337 E N -0.167 120.161 120.200 0.214 0.000 2.152 337 E HA -0.155 4.196 4.350 0.001 0.000 0.192 337 E C 1.616 178.207 176.600 -0.015 0.000 0.983 337 E CA 0.713 57.203 56.400 0.150 0.000 0.818 337 E CB -0.103 29.754 29.700 0.262 0.000 0.758 337 E HN 0.176 nan 8.360 nan 0.000 0.467 338 F N 2.107 121.975 119.950 -0.137 0.000 2.102 338 F HA -0.174 4.354 4.527 0.001 0.000 0.298 338 F C 2.419 178.157 175.800 -0.103 0.000 1.105 338 F CA 1.626 59.415 58.000 -0.353 0.000 1.239 338 F CB -0.083 39.005 39.000 0.148 0.000 0.991 338 F HN -0.213 nan 8.300 nan 0.000 0.474 339 R N 0.388 120.977 120.500 0.147 0.000 2.083 339 R HA -0.239 4.102 4.340 0.001 0.000 0.237 339 R C 2.602 178.862 176.300 -0.067 0.000 1.137 339 R CA 1.941 58.072 56.100 0.051 0.000 0.951 339 R CB -0.503 29.897 30.300 0.167 0.000 0.851 339 R HN 0.312 nan 8.270 nan 0.000 0.434 340 R N 0.412 120.884 120.500 -0.047 0.000 2.091 340 R HA -0.179 4.161 4.340 0.001 0.000 0.238 340 R C 2.383 178.610 176.300 -0.121 0.000 1.136 340 R CA 1.725 57.792 56.100 -0.054 0.000 0.959 340 R CB -0.411 29.876 30.300 -0.021 0.000 0.856 340 R HN 0.299 nan 8.270 nan 0.000 0.437 341 L N 0.560 121.635 121.223 -0.247 0.000 1.976 341 L HA -0.137 4.204 4.340 0.001 0.000 0.209 341 L C 2.152 178.867 176.870 -0.258 0.000 1.071 341 L CA 1.652 56.310 54.840 -0.303 0.000 0.746 341 L CB -0.646 41.057 42.059 -0.593 0.000 0.890 341 L HN 0.022 nan 8.230 nan 0.000 0.432 342 V N 0.313 119.995 119.914 -0.387 0.000 2.231 342 V HA -0.312 3.808 4.120 0.001 0.000 0.248 342 V C 2.727 178.783 176.094 -0.064 0.000 1.054 342 V CA 2.159 64.317 62.300 -0.238 0.000 1.015 342 V CB -0.865 30.753 31.823 -0.341 0.000 0.638 342 V HN 0.457 nan 8.190 nan 0.000 0.444 343 K N 0.796 121.167 120.400 -0.048 0.000 2.209 343 K HA -0.093 4.228 4.320 0.001 0.000 0.204 343 K C 2.392 178.999 176.600 0.010 0.000 1.048 343 K CA 1.604 57.898 56.287 0.012 0.000 0.940 343 K CB -0.693 31.823 32.500 0.027 0.000 0.729 343 K HN 0.706 nan 8.250 nan 0.000 0.451 344 S N 0.469 116.160 115.700 -0.015 0.000 2.406 344 S HA -0.055 4.416 4.470 0.001 0.000 0.228 344 S C 1.944 176.548 174.600 0.007 0.000 1.020 344 S CA 0.540 58.737 58.200 -0.004 0.000 0.965 344 S CB -0.158 63.032 63.200 -0.016 0.000 0.798 344 S HN 0.028 nan 8.310 nan 0.000 0.488 345 L N 1.677 122.903 121.223 0.005 0.000 2.162 345 L HA 0.368 4.709 4.340 0.001 0.000 0.205 345 L C 1.022 177.918 176.870 0.044 0.000 1.086 345 L CA 1.022 55.877 54.840 0.026 0.000 0.778 345 L CB -0.897 41.184 42.059 0.037 0.000 0.928 345 L HN 0.569 nan 8.230 nan 0.000 0.446 346 N N -1.287 117.447 118.700 0.055 0.000 2.629 346 N HA 0.155 4.896 4.740 0.001 0.000 0.277 346 N C -2.324 173.239 175.510 0.087 0.000 1.188 346 N CA -0.936 52.158 53.050 0.073 0.000 0.835 346 N CB 1.687 40.229 38.487 0.092 0.000 1.420 346 N HN -0.241 nan 8.380 nan 0.000 0.542 347 P HA -0.106 nan 4.420 nan 0.000 0.218 347 P C -0.079 177.295 177.300 0.123 0.000 1.146 347 P CA 1.114 64.265 63.100 0.085 0.000 0.813 347 P CB 0.221 31.963 31.700 0.070 0.000 0.778 348 D N -1.418 119.081 120.400 0.165 0.000 2.340 348 D HA 0.149 4.790 4.640 0.001 0.000 0.217 348 D C 0.541 177.085 176.300 0.406 0.000 1.081 348 D CA 0.033 54.209 54.000 0.293 0.000 0.842 348 D CB 0.219 41.213 40.800 0.323 0.000 0.934 348 D HN 0.084 nan 8.370 nan 0.000 0.511 349 A N 1.200 124.180 122.820 0.266 0.000 2.409 349 A HA 0.285 4.606 4.320 0.001 0.000 0.267 349 A C -0.067 177.683 177.584 0.278 0.000 1.127 349 A CA -0.323 51.883 52.037 0.282 0.000 0.795 349 A CB 0.408 19.535 19.000 0.212 0.000 1.061 349 A HN 0.183 nan 8.150 nan 0.000 0.502 350 L N 3.990 125.414 121.223 0.334 0.000 2.326 350 L HA 0.445 4.786 4.340 0.001 0.000 0.278 350 L C -0.602 176.364 176.870 0.159 0.000 1.092 350 L CA -0.090 54.856 54.840 0.176 0.000 0.810 350 L CB 0.768 42.918 42.059 0.150 0.000 1.153 350 L HN 0.536 nan 8.230 nan 0.000 0.439 351 I N 6.772 127.388 120.570 0.076 0.000 2.390 351 I HA 0.318 4.489 4.170 0.001 0.000 0.283 351 I C -0.617 175.370 176.117 -0.216 0.000 1.016 351 I CA -0.464 60.869 61.300 0.056 0.000 1.151 351 I CB 1.270 39.384 38.000 0.190 0.000 1.293 351 I HN 0.216 nan 8.210 nan 0.000 0.458 352 V N 5.289 124.935 119.914 -0.448 0.000 2.409 352 V HA 0.667 4.787 4.120 0.001 0.000 0.291 352 V C 0.711 176.272 176.094 -0.888 0.000 1.020 352 V CA -0.634 61.212 62.300 -0.756 0.000 0.848 352 V CB 1.722 32.786 31.823 -1.266 0.000 0.990 352 V HN 0.854 nan 8.190 nan 0.000 0.430 353 G N 2.397 110.580 108.800 -1.028 0.000 2.400 353 G HA2 0.468 4.429 3.960 0.001 0.000 0.301 353 G HA3 0.468 4.429 3.960 0.001 0.000 0.301 353 G C -0.368 174.155 174.900 -0.627 0.000 1.154 353 G CA -0.306 44.055 45.100 -1.232 0.000 0.852 353 G HN 0.693 nan 8.290 nan 0.000 0.511 354 E N 2.105 122.029 120.200 -0.460 0.000 1.986 354 E HA 0.333 4.684 4.350 0.001 0.000 0.264 354 E C -0.694 175.865 176.600 -0.068 0.000 1.023 354 E CA -0.214 56.082 56.400 -0.173 0.000 0.834 354 E CB 0.275 29.962 29.700 -0.021 0.000 1.111 354 E HN 0.320 nan 8.360 nan 0.000 0.417 355 I N 3.686 124.215 120.570 -0.068 0.000 2.499 355 I HA 0.178 4.349 4.170 0.001 0.000 0.288 355 I C -0.186 176.019 176.117 0.147 0.000 1.048 355 I CA -0.828 60.429 61.300 -0.071 0.000 1.062 355 I CB 1.309 39.027 38.000 -0.470 0.000 1.238 355 I HN 0.572 nan 8.210 nan 0.000 0.426 356 W N 2.854 124.112 121.300 -0.071 0.000 2.863 356 W HA 0.056 4.717 4.660 0.001 0.000 0.258 356 W C 1.266 177.869 176.519 0.139 0.000 1.298 356 W CA 0.069 57.445 57.345 0.051 0.000 1.451 356 W CB -0.442 28.927 29.460 -0.151 0.000 1.107 356 W HN 0.592 nan 8.180 nan 0.000 0.641 357 H N -2.758 116.504 119.070 0.321 0.000 2.889 357 H HA 0.287 4.844 4.556 0.001 0.000 0.279 357 H C 0.015 175.531 175.328 0.313 0.000 1.553 357 H CA -0.983 55.230 56.048 0.275 0.000 1.593 357 H CB -0.244 29.650 29.762 0.221 0.000 1.718 357 H HN -0.358 nan 8.280 nan 0.000 0.901 358 D N -0.187 120.484 120.400 0.452 0.000 2.402 358 D HA 0.015 4.656 4.640 0.001 0.000 0.268 358 D C 0.112 176.700 176.300 0.480 0.000 1.294 358 D CA 0.400 54.669 54.000 0.448 0.000 0.945 358 D CB 0.201 41.241 40.800 0.399 0.000 1.112 358 D HN 0.681 nan 8.370 nan 0.000 0.517 359 A N 3.164 126.256 122.820 0.454 0.000 2.507 359 A HA 0.074 4.394 4.320 0.001 0.000 0.270 359 A C 1.897 179.674 177.584 0.321 0.000 1.318 359 A CA 0.295 52.592 52.037 0.433 0.000 0.924 359 A CB -0.245 18.812 19.000 0.095 0.000 1.061 359 A HN 0.546 nan 8.150 nan 0.000 0.516 360 S N -0.556 115.367 115.700 0.371 0.000 2.402 360 S HA -0.143 4.328 4.470 0.001 0.000 0.233 360 S C 1.919 176.552 174.600 0.055 0.000 1.030 360 S CA 1.523 59.861 58.200 0.230 0.000 1.003 360 S CB -0.904 62.551 63.200 0.426 0.000 0.813 360 S HN 0.702 nan 8.310 nan 0.000 0.477 361 G N -0.034 108.750 108.800 -0.027 0.000 2.470 361 G HA2 -0.114 3.846 3.960 0.001 0.000 0.220 361 G HA3 -0.114 3.846 3.960 0.001 0.000 0.220 361 G C 1.014 175.641 174.900 -0.454 0.000 1.121 361 G CA 0.490 45.373 45.100 -0.362 0.000 0.766 361 G HN 0.654 nan 8.290 nan 0.000 0.553 362 W N -0.337 120.879 121.300 -0.140 0.000 3.220 362 W HA 0.438 5.099 4.660 0.001 0.000 0.328 362 W C 0.551 176.831 176.519 -0.398 0.000 1.205 362 W CA -0.284 56.837 57.345 -0.374 0.000 1.773 362 W CB 0.257 29.360 29.460 -0.596 0.000 1.086 362 W HN 0.066 nan 8.180 nan 0.000 0.622 363 L N 0.829 121.993 121.223 -0.098 0.000 3.154 363 L HA 0.191 4.532 4.340 0.001 0.000 0.266 363 L C 1.345 178.125 176.870 -0.150 0.000 1.300 363 L CA -0.169 54.600 54.840 -0.119 0.000 1.028 363 L CB 0.027 41.948 42.059 -0.230 0.000 1.412 363 L HN -0.209 nan 8.230 nan 0.000 0.564 364 M N -0.477 118.942 119.600 -0.302 0.000 2.428 364 M HA 0.317 4.797 4.480 0.001 0.000 0.239 364 M C 1.493 177.404 176.300 -0.648 0.000 1.121 364 M CA 0.567 55.687 55.300 -0.300 0.000 1.019 364 M CB 0.244 32.745 32.600 -0.164 0.000 1.485 364 M HN 0.438 nan 8.290 nan 0.000 0.484 365 G N 1.179 109.251 108.800 -1.213 0.000 2.255 365 G HA2 -0.202 3.759 3.960 0.001 0.000 0.196 365 G HA3 -0.202 3.759 3.960 0.001 0.000 0.196 365 G C 0.328 174.883 174.900 -0.574 0.000 0.998 365 G CA 0.355 44.583 45.100 -1.454 0.000 0.656 365 G HN 0.498 nan 8.290 nan 0.000 0.490 366 D N -0.012 120.176 120.400 -0.355 0.000 2.369 366 D HA 0.254 4.895 4.640 0.001 0.000 0.211 366 D C 1.409 177.670 176.300 -0.065 0.000 1.077 366 D CA 0.764 54.673 54.000 -0.151 0.000 0.842 366 D CB 0.156 40.898 40.800 -0.098 0.000 0.947 366 D HN 0.561 nan 8.370 nan 0.000 0.509 367 Q N -0.718 119.010 119.800 -0.120 0.000 1.845 367 Q HA 0.326 4.667 4.340 0.001 0.000 0.152 367 Q C -0.071 176.020 176.000 0.152 0.000 0.453 367 Q CA -0.378 55.414 55.803 -0.018 0.000 0.693 367 Q CB 0.673 29.255 28.738 -0.262 0.000 0.936 367 Q HN 0.108 nan 8.270 nan 0.000 0.323 368 F N 1.500 121.454 119.950 0.006 0.000 2.378 368 F HA 0.231 4.759 4.527 0.001 0.000 0.325 368 F C 0.867 176.688 175.800 0.035 0.000 1.097 368 F CA -0.951 57.025 58.000 -0.041 0.000 1.079 368 F CB 0.819 39.726 39.000 -0.155 0.000 1.240 368 F HN 0.209 nan 8.300 nan 0.000 0.519 369 D N -0.211 120.332 120.400 0.238 0.000 2.271 369 D HA 0.025 4.666 4.640 0.001 0.000 0.206 369 D C 0.607 176.960 176.300 0.088 0.000 0.967 369 D CA 0.843 54.976 54.000 0.222 0.000 0.867 369 D CB 0.731 41.564 40.800 0.055 0.000 0.960 369 D HN 0.358 nan 8.370 nan 0.000 0.509 370 S N -0.819 114.860 115.700 -0.035 0.000 2.703 370 S HA 0.527 4.998 4.470 0.001 0.000 0.273 370 S C -1.821 172.622 174.600 -0.263 0.000 1.178 370 S CA -0.563 57.537 58.200 -0.167 0.000 0.838 370 S CB 1.181 64.203 63.200 -0.297 0.000 1.178 370 S HN -0.050 nan 8.310 nan 0.000 0.494 371 V N -0.595 119.144 119.914 -0.291 0.000 3.188 371 V HA 0.646 4.766 4.120 0.001 0.000 0.305 371 V C -0.704 175.220 176.094 -0.282 0.000 1.232 371 V CA -1.137 60.975 62.300 -0.313 0.000 1.043 371 V CB 1.701 33.424 31.823 -0.167 0.000 1.068 371 V HN 0.957 nan 8.190 nan 0.000 0.439 372 M N 3.128 122.564 119.600 -0.275 0.000 2.292 372 M HA 0.266 4.747 4.480 0.001 0.000 0.342 372 M C 0.294 176.470 176.300 -0.206 0.000 1.538 372 M CA 0.122 55.287 55.300 -0.224 0.000 1.163 372 M CB -0.090 32.346 32.600 -0.274 0.000 1.823 372 M HN 0.772 nan 8.290 nan 0.000 0.462 373 N N 2.889 121.497 118.700 -0.152 0.000 2.971 373 N HA 0.012 4.753 4.740 0.001 0.000 0.294 373 N C 0.145 175.636 175.510 -0.031 0.000 1.210 373 N CA 0.332 53.367 53.050 -0.025 0.000 1.157 373 N CB -0.151 38.351 38.487 0.026 0.000 1.450 373 N HN 0.477 nan 8.380 nan 0.000 0.527 374 Y N 0.406 120.685 120.300 -0.035 0.000 2.403 374 Y HA -0.190 4.361 4.550 0.001 0.000 0.291 374 Y C 1.823 177.790 175.900 0.112 0.000 1.143 374 Y CA 0.739 58.807 58.100 -0.054 0.000 1.257 374 Y CB 0.153 38.469 38.460 -0.240 0.000 0.984 374 Y HN 0.444 nan 8.280 nan 0.000 0.550 375 L N -3.199 118.196 121.223 0.286 0.000 2.217 375 L HA -0.041 4.300 4.340 0.001 0.000 0.211 375 L C 1.990 178.988 176.870 0.213 0.000 1.107 375 L CA 1.284 56.266 54.840 0.238 0.000 0.783 375 L CB -1.649 40.535 42.059 0.208 0.000 0.919 375 L HN 0.109 nan 8.230 nan 0.000 0.442 376 F N 1.328 121.328 119.950 0.084 0.000 2.146 376 F HA -0.077 4.450 4.527 0.001 0.000 0.298 376 F C 2.755 178.619 175.800 0.108 0.000 1.096 376 F CA 1.577 59.625 58.000 0.080 0.000 1.275 376 F CB -0.273 38.769 39.000 0.070 0.000 1.008 376 F HN 0.067 nan 8.300 nan 0.000 0.480 377 R N 0.633 121.305 120.500 0.287 0.000 2.091 377 R HA -0.177 4.164 4.340 0.001 0.000 0.238 377 R C 2.123 178.502 176.300 0.130 0.000 1.136 377 R CA 2.070 58.271 56.100 0.167 0.000 0.959 377 R CB -0.461 29.940 30.300 0.168 0.000 0.856 377 R HN 0.446 nan 8.270 nan 0.000 0.437 378 E N -0.126 120.168 120.200 0.156 0.000 2.077 378 E HA -0.156 4.195 4.350 0.001 0.000 0.193 378 E C 2.081 178.738 176.600 0.094 0.000 0.989 378 E CA 1.624 58.110 56.400 0.144 0.000 0.800 378 E CB -0.011 29.780 29.700 0.151 0.000 0.746 378 E HN 0.322 nan 8.360 nan 0.000 0.452 379 S N 0.502 116.227 115.700 0.043 0.000 2.356 379 S HA -0.121 4.350 4.470 0.001 0.000 0.223 379 S C 2.240 176.913 174.600 0.122 0.000 1.032 379 S CA 0.882 59.116 58.200 0.056 0.000 1.005 379 S CB -0.135 63.035 63.200 -0.050 0.000 0.867 379 S HN 0.058 nan 8.310 nan 0.000 0.449 380 V N 2.317 122.256 119.914 0.042 0.000 2.343 380 V HA -0.144 3.977 4.120 0.001 0.000 0.247 380 V C 2.194 178.496 176.094 0.347 0.000 1.051 380 V CA 1.195 63.597 62.300 0.171 0.000 1.036 380 V CB -0.594 31.194 31.823 -0.058 0.000 0.654 380 V HN 0.413 nan 8.190 nan 0.000 0.451 381 I N -0.083 120.676 120.570 0.315 0.000 2.142 381 I HA -0.227 3.944 4.170 0.001 0.000 0.240 381 I C 2.649 178.843 176.117 0.129 0.000 1.078 381 I CA 1.744 63.231 61.300 0.312 0.000 1.343 381 I CB -1.005 37.132 38.000 0.229 0.000 1.046 381 I HN 0.264 nan 8.210 nan 0.000 0.405 382 R N -0.180 120.371 120.500 0.085 0.000 2.083 382 R HA -0.229 4.112 4.340 0.001 0.000 0.237 382 R C 2.262 178.544 176.300 -0.030 0.000 1.137 382 R CA 1.825 57.939 56.100 0.023 0.000 0.951 382 R CB -0.438 29.881 30.300 0.030 0.000 0.851 382 R HN 0.234 nan 8.270 nan 0.000 0.434 383 F N -0.880 118.870 119.950 -0.333 0.000 2.179 383 F HA 0.051 4.579 4.527 0.001 0.000 0.292 383 F C 1.317 176.739 175.800 -0.631 0.000 1.089 383 F CA 1.188 58.777 58.000 -0.685 0.000 1.295 383 F CB -0.123 37.949 39.000 -1.547 0.000 1.041 383 F HN -0.073 nan 8.300 nan 0.000 0.487 384 F N -0.638 119.114 119.950 -0.330 0.000 2.446 384 F HA 0.235 4.762 4.527 0.001 0.000 0.292 384 F C 2.292 177.982 175.800 -0.183 0.000 1.096 384 F CA 0.676 58.501 58.000 -0.292 0.000 1.438 384 F CB -0.829 38.149 39.000 -0.037 0.000 1.107 384 F HN 0.017 nan 8.300 nan 0.000 0.546 385 A N 0.233 123.074 122.820 0.035 0.000 1.859 385 A HA -0.055 4.266 4.320 0.001 0.000 0.212 385 A C 2.196 179.701 177.584 -0.132 0.000 1.238 385 A CA 1.716 53.654 52.037 -0.166 0.000 0.613 385 A CB -1.289 17.507 19.000 -0.341 0.000 0.904 385 A HN 0.299 nan 8.150 nan 0.000 0.457 386 T N -4.035 110.463 114.554 -0.093 0.000 3.014 386 T HA 0.354 4.705 4.350 0.001 0.000 0.263 386 T C 1.465 176.115 174.700 -0.083 0.000 1.078 386 T CA 1.318 63.371 62.100 -0.078 0.000 1.135 386 T CB -0.240 68.598 68.868 -0.049 0.000 0.895 386 T HN 1.847 nan 8.240 nan 0.000 0.480 387 G N 1.538 110.272 108.800 -0.111 0.000 2.147 387 G HA2 -0.274 3.687 3.960 0.001 0.000 0.244 387 G HA3 -0.274 3.687 3.960 0.001 0.000 0.244 387 G C 0.465 175.317 174.900 -0.080 0.000 1.005 387 G CA 0.453 45.477 45.100 -0.127 0.000 0.713 387 G HN 0.602 nan 8.290 nan 0.000 0.515 388 E N -0.610 119.551 120.200 -0.065 0.000 2.204 388 E HA 0.079 4.430 4.350 0.001 0.000 0.194 388 E C 1.623 178.175 176.600 -0.080 0.000 0.989 388 E CA 1.183 57.548 56.400 -0.057 0.000 0.824 388 E CB 0.071 29.745 29.700 -0.042 0.000 0.756 388 E HN 0.928 nan 8.360 nan 0.000 0.477 389 I N -1.886 118.641 120.570 -0.071 0.000 2.846 389 I HA 0.366 4.537 4.170 0.001 0.000 0.307 389 I C 0.205 176.325 176.117 0.005 0.000 1.053 389 I CA -1.212 60.010 61.300 -0.130 0.000 1.050 389 I CB 1.741 39.673 38.000 -0.115 0.000 1.239 389 I HN -0.114 nan 8.210 nan 0.000 0.439 390 H N 2.904 122.014 119.070 0.067 0.000 2.497 390 H HA 0.568 5.125 4.556 0.001 0.000 0.348 390 H C 0.913 176.278 175.328 0.062 0.000 1.335 390 H CA -0.480 55.636 56.048 0.114 0.000 1.395 390 H CB 1.395 31.182 29.762 0.041 0.000 1.658 390 H HN 0.786 nan 8.280 nan 0.000 0.613 391 A N 0.675 123.685 122.820 0.317 0.000 1.917 391 A HA -0.229 4.091 4.320 0.001 0.000 0.219 391 A C 2.109 179.638 177.584 -0.091 0.000 1.182 391 A CA 1.975 53.984 52.037 -0.047 0.000 0.633 391 A CB -0.864 18.222 19.000 0.143 0.000 0.819 391 A HN 0.881 nan 8.150 nan 0.000 0.448 392 E N -1.173 119.059 120.200 0.053 0.000 2.106 392 E HA -0.202 4.149 4.350 0.001 0.000 0.192 392 E C 2.283 178.915 176.600 0.054 0.000 0.984 392 E CA 1.180 57.587 56.400 0.012 0.000 0.806 392 E CB -0.144 29.501 29.700 -0.091 0.000 0.750 392 E HN 0.490 nan 8.360 nan 0.000 0.458 393 R N 1.081 121.721 120.500 0.234 0.000 2.075 393 R HA -0.117 4.224 4.340 0.001 0.000 0.232 393 R C 1.880 178.098 176.300 -0.136 0.000 1.126 393 R CA 1.216 57.309 56.100 -0.011 0.000 0.963 393 R CB -0.904 29.259 30.300 -0.227 0.000 0.858 393 R HN 0.229 nan 8.270 nan 0.000 0.435 394 F N 0.966 120.652 119.950 -0.440 0.000 2.095 394 F HA -0.245 4.282 4.527 0.001 0.000 0.298 394 F C 1.990 177.364 175.800 -0.711 0.000 1.104 394 F CA 2.047 59.605 58.000 -0.737 0.000 1.232 394 F CB -0.372 37.743 39.000 -1.475 0.000 0.987 394 F HN 0.207 nan 8.300 nan 0.000 0.475 395 D N 0.599 120.535 120.400 -0.773 0.000 2.104 395 D HA -0.225 4.416 4.640 0.001 0.000 0.194 395 D C 2.191 178.271 176.300 -0.365 0.000 0.994 395 D CA 1.619 55.221 54.000 -0.663 0.000 0.830 395 D CB -0.459 40.193 40.800 -0.246 0.000 0.959 395 D HN 0.356 nan 8.370 nan 0.000 0.452 396 A N 0.520 123.203 122.820 -0.228 0.000 1.877 396 A HA -0.184 4.137 4.320 0.001 0.000 0.216 396 A C 2.204 179.703 177.584 -0.142 0.000 1.186 396 A CA 1.750 53.719 52.037 -0.114 0.000 0.620 396 A CB -0.670 18.300 19.000 -0.049 0.000 0.822 396 A HN 0.358 nan 8.150 nan 0.000 0.443 397 E N -0.733 119.341 120.200 -0.210 0.000 2.077 397 E HA -0.181 4.170 4.350 0.001 0.000 0.193 397 E C 1.885 178.347 176.600 -0.231 0.000 0.989 397 E CA 1.065 57.354 56.400 -0.185 0.000 0.800 397 E CB -0.238 29.354 29.700 -0.180 0.000 0.746 397 E HN 0.402 nan 8.360 nan 0.000 0.452 398 L N 0.708 121.690 121.223 -0.401 0.000 2.012 398 L HA -0.181 4.159 4.340 0.001 0.000 0.210 398 L C 2.423 179.199 176.870 -0.157 0.000 1.073 398 L CA 1.878 56.512 54.840 -0.343 0.000 0.748 398 L CB -1.055 40.648 42.059 -0.594 0.000 0.891 398 L HN 0.122 nan 8.230 nan 0.000 0.431 399 T N -1.127 113.327 114.554 -0.167 0.000 2.777 399 T HA -0.188 4.163 4.350 0.001 0.000 0.266 399 T C 2.081 176.625 174.700 -0.261 0.000 1.040 399 T CA 1.036 63.038 62.100 -0.164 0.000 1.141 399 T CB -0.154 68.648 68.868 -0.109 0.000 0.868 399 T HN 0.206 nan 8.240 nan 0.000 0.444 400 R N 1.068 121.469 120.500 -0.164 0.000 2.081 400 R HA -0.017 4.324 4.340 0.001 0.000 0.235 400 R C 2.571 178.773 176.300 -0.163 0.000 1.131 400 R CA 1.536 57.564 56.100 -0.120 0.000 0.960 400 R CB -0.557 29.765 30.300 0.038 0.000 0.856 400 R HN 0.398 nan 8.270 nan 0.000 0.436 401 A N 1.128 123.859 122.820 -0.147 0.000 1.898 401 A HA -0.179 4.142 4.320 0.001 0.000 0.216 401 A C 2.215 179.638 177.584 -0.269 0.000 1.181 401 A CA 1.433 53.361 52.037 -0.182 0.000 0.620 401 A CB -0.531 18.415 19.000 -0.091 0.000 0.819 401 A HN 0.405 nan 8.150 nan 0.000 0.442 402 R N -1.151 119.236 120.500 -0.189 0.000 2.120 402 R HA -0.072 4.269 4.340 0.001 0.000 0.234 402 R C 1.439 177.598 176.300 -0.235 0.000 1.123 402 R CA 1.639 57.636 56.100 -0.171 0.000 0.975 402 R CB -0.201 30.034 30.300 -0.109 0.000 0.866 402 R HN 0.366 nan 8.270 nan 0.000 0.446 403 M N 0.166 119.570 119.600 -0.326 0.000 2.595 403 M HA -0.006 4.475 4.480 0.001 0.000 0.248 403 M C 1.370 177.546 176.300 -0.206 0.000 1.119 403 M CA 0.437 55.533 55.300 -0.341 0.000 1.079 403 M CB -0.199 32.001 32.600 -0.666 0.000 1.472 403 M HN 0.172 nan 8.290 nan 0.000 0.501 404 L N -0.996 120.075 121.223 -0.253 0.000 2.156 404 L HA -0.001 4.340 4.340 0.001 0.000 0.208 404 L C 0.420 177.287 176.870 -0.005 0.000 1.095 404 L CA 1.274 55.991 54.840 -0.204 0.000 0.770 404 L CB -0.418 41.344 42.059 -0.495 0.000 0.914 404 L HN 0.177 nan 8.230 nan 0.000 0.439 405 Y N -1.965 118.342 120.300 0.012 0.000 2.598 405 Y HA 0.457 5.008 4.550 0.001 0.000 0.340 405 Y C -2.022 173.826 175.900 -0.085 0.000 1.038 405 Y CA -3.181 54.918 58.100 -0.002 0.000 1.100 405 Y CB 0.416 38.890 38.460 0.022 0.000 1.281 405 Y HN -0.225 nan 8.280 nan 0.000 0.488 406 P HA -0.021 nan 4.420 nan 0.000 0.269 406 P C 0.384 177.545 177.300 -0.232 0.000 1.215 406 P CA -0.014 62.782 63.100 -0.506 0.000 0.780 406 P CB 0.632 31.863 31.700 -0.782 0.000 0.898 407 E N 1.525 121.640 120.200 -0.141 0.000 2.160 407 E HA -0.305 4.046 4.350 0.001 0.000 0.195 407 E C 1.079 177.564 176.600 -0.191 0.000 0.991 407 E CA 1.416 57.776 56.400 -0.067 0.000 0.810 407 E CB -0.568 29.158 29.700 0.044 0.000 0.742 407 E HN 0.390 nan 8.360 nan 0.000 0.466 408 Q N 0.983 120.579 119.800 -0.340 0.000 2.181 408 Q HA -0.098 4.243 4.340 0.001 0.000 0.205 408 Q C 2.148 177.750 176.000 -0.663 0.000 0.980 408 Q CA 2.200 57.650 55.803 -0.588 0.000 0.862 408 Q CB -0.261 27.883 28.738 -0.990 0.000 0.905 408 Q HN 0.506 nan 8.270 nan 0.000 0.429 409 A N 0.345 122.860 122.820 -0.509 0.000 1.878 409 A HA 0.128 4.449 4.320 0.001 0.000 0.213 409 A C 2.261 179.790 177.584 -0.091 0.000 1.192 409 A CA 1.091 52.989 52.037 -0.232 0.000 0.619 409 A CB -0.904 18.110 19.000 0.024 0.000 0.837 409 A HN 0.351 nan 8.150 nan 0.000 0.446 410 A N -0.823 121.986 122.820 -0.020 0.000 1.948 410 A HA -0.257 4.063 4.320 0.001 0.000 0.220 410 A C 2.160 179.693 177.584 -0.084 0.000 1.177 410 A CA 1.923 53.967 52.037 0.011 0.000 0.636 410 A CB -0.555 18.438 19.000 -0.011 0.000 0.815 410 A HN 0.508 nan 8.150 nan 0.000 0.449 411 Q N -0.183 119.534 119.800 -0.138 0.000 2.226 411 Q HA -0.125 4.215 4.340 0.001 0.000 0.204 411 Q C 1.479 177.390 176.000 -0.148 0.000 0.975 411 Q CA 1.744 57.452 55.803 -0.158 0.000 0.866 411 Q CB -0.400 28.236 28.738 -0.171 0.000 0.915 411 Q HN 0.561 nan 8.270 nan 0.000 0.440 412 G N -0.016 108.701 108.800 -0.138 0.000 3.735 412 G HA2 0.241 4.202 3.960 0.001 0.000 0.283 412 G HA3 0.241 4.202 3.960 0.001 0.000 0.283 412 G C -0.287 174.606 174.900 -0.012 0.000 1.007 412 G CA -0.438 44.605 45.100 -0.095 0.000 0.821 412 G HN 0.098 nan 8.290 nan 0.000 0.505 413 L N 0.942 122.148 121.223 -0.027 0.000 2.525 413 L HA 0.234 4.575 4.340 0.001 0.000 0.278 413 L C -0.191 176.725 176.870 0.076 0.000 1.218 413 L CA -0.863 53.980 54.840 0.005 0.000 0.878 413 L CB 0.058 42.131 42.059 0.023 0.000 1.127 413 L HN 0.198 nan 8.230 nan 0.000 0.492 414 W N 4.327 125.489 121.300 -0.231 0.000 2.497 414 W HA 0.196 4.856 4.660 0.001 0.000 0.354 414 W C 0.170 176.465 176.519 -0.373 0.000 1.111 414 W CA -0.846 56.333 57.345 -0.276 0.000 1.510 414 W CB -0.658 28.648 29.460 -0.257 0.000 1.466 414 W HN 0.401 nan 8.180 nan 0.000 0.409 415 N N 5.289 123.768 118.700 -0.368 0.000 2.439 415 N HA 0.182 4.923 4.740 0.001 0.000 0.243 415 N C -0.222 174.999 175.510 -0.481 0.000 1.088 415 N CA -0.139 52.413 53.050 -0.830 0.000 0.940 415 N CB 0.436 37.966 38.487 -1.595 0.000 1.180 415 N HN 0.385 nan 8.380 nan 0.000 0.505 416 L N -1.070 120.009 121.223 -0.239 0.000 2.334 416 L HA 0.577 4.918 4.340 0.001 0.000 0.270 416 L C 0.403 177.283 176.870 0.017 0.000 1.018 416 L CA -0.865 53.899 54.840 -0.126 0.000 0.811 416 L CB 1.320 43.255 42.059 -0.205 0.000 1.271 416 L HN 0.201 nan 8.230 nan 0.000 0.443 417 L N -0.065 121.134 121.223 -0.041 0.000 2.463 417 L HA 0.261 4.602 4.340 0.001 0.000 0.219 417 L C -0.374 176.537 176.870 0.067 0.000 1.088 417 L CA 0.245 55.015 54.840 -0.117 0.000 0.849 417 L CB -0.161 41.676 42.059 -0.371 0.000 1.012 417 L HN 0.902 nan 8.230 nan 0.000 0.468 418 D N -2.076 118.335 120.400 0.017 0.000 2.792 418 D HA 0.445 5.086 4.640 0.001 0.000 0.335 418 D C -0.620 175.557 176.300 -0.205 0.000 1.353 418 D CA -0.250 53.744 54.000 -0.009 0.000 0.839 418 D CB 1.018 41.860 40.800 0.070 0.000 1.396 418 D HN -0.064 nan 8.370 nan 0.000 0.479 419 S N -2.266 113.207 115.700 -0.380 0.000 2.724 419 S HA 0.335 4.806 4.470 0.001 0.000 0.278 419 S C 0.306 174.486 174.600 -0.701 0.000 1.190 419 S CA -0.470 57.421 58.200 -0.514 0.000 0.860 419 S CB 0.437 63.625 63.200 -0.019 0.000 1.206 419 S HN 0.896 nan 8.310 nan 0.000 0.507 420 H N 0.156 119.030 119.070 -0.327 0.000 2.556 420 H HA 0.281 4.838 4.556 0.001 0.000 0.268 420 H C -0.453 174.893 175.328 0.031 0.000 0.996 420 H CA 0.717 56.736 56.048 -0.047 0.000 1.157 420 H CB -0.535 29.358 29.762 0.218 0.000 1.355 420 H HN 0.569 nan 8.280 nan 0.000 0.597 421 D N 1.261 121.513 120.400 -0.247 0.000 2.479 421 D HA 0.088 4.728 4.640 0.001 0.000 0.218 421 D C 0.581 176.931 176.300 0.084 0.000 1.177 421 D CA 0.335 54.290 54.000 -0.077 0.000 0.830 421 D CB 1.074 41.875 40.800 0.002 0.000 1.014 421 D HN 0.537 nan 8.370 nan 0.000 0.503 422 T N -2.532 112.042 114.554 0.033 0.000 2.804 422 T HA 0.417 4.768 4.350 0.001 0.000 0.290 422 T C -0.224 174.494 174.700 0.031 0.000 1.099 422 T CA -0.946 61.204 62.100 0.083 0.000 1.011 422 T CB 2.635 71.587 68.868 0.140 0.000 1.291 422 T HN -0.004 nan 8.240 nan 0.000 0.523 423 E N 0.598 120.831 120.200 0.054 0.000 2.371 423 E HA 0.320 4.671 4.350 0.001 0.000 0.257 423 E C -0.451 176.187 176.600 0.063 0.000 1.134 423 E CA -0.902 55.521 56.400 0.039 0.000 0.919 423 E CB 0.896 30.614 29.700 0.029 0.000 1.025 423 E HN 0.512 nan 8.360 nan 0.000 0.438 424 R N 0.910 121.452 120.500 0.069 0.000 2.543 424 R HA 0.054 4.395 4.340 0.001 0.000 0.277 424 R C 0.747 177.157 176.300 0.183 0.000 1.074 424 R CA -0.221 55.962 56.100 0.137 0.000 1.076 424 R CB 0.260 30.622 30.300 0.102 0.000 0.993 424 R HN 0.613 nan 8.270 nan 0.000 0.459 425 F N 2.364 122.418 119.950 0.173 0.000 2.202 425 F HA -0.218 4.310 4.527 0.001 0.000 0.301 425 F C 1.886 177.844 175.800 0.263 0.000 1.082 425 F CA 1.408 59.545 58.000 0.228 0.000 1.313 425 F CB -0.010 39.165 39.000 0.291 0.000 1.024 425 F HN 0.489 nan 8.300 nan 0.000 0.495 426 L N -0.646 120.727 121.223 0.250 0.000 2.042 426 L HA -0.267 4.073 4.340 0.001 0.000 0.210 426 L C 2.226 179.036 176.870 -0.100 0.000 1.076 426 L CA 2.116 56.941 54.840 -0.025 0.000 0.749 426 L CB -0.808 41.085 42.059 -0.276 0.000 0.893 426 L HN 0.153 nan 8.230 nan 0.000 0.432 427 T N -0.925 113.583 114.554 -0.076 0.000 2.746 427 T HA -0.149 4.202 4.350 0.001 0.000 0.267 427 T C 1.987 176.614 174.700 -0.122 0.000 1.039 427 T CA 1.546 63.595 62.100 -0.086 0.000 1.142 427 T CB -0.099 68.739 68.868 -0.051 0.000 0.866 427 T HN 0.362 nan 8.240 nan 0.000 0.444 428 S N 0.648 116.246 115.700 -0.170 0.000 2.400 428 S HA -0.119 4.352 4.470 0.001 0.000 0.232 428 S C 2.084 176.505 174.600 -0.299 0.000 1.025 428 S CA 0.891 58.948 58.200 -0.238 0.000 0.993 428 S CB -0.496 62.496 63.200 -0.346 0.000 0.808 428 S HN 0.582 nan 8.310 nan 0.000 0.478 429 C N 1.145 120.232 119.300 -0.354 0.000 2.576 429 C HA 0.424 4.884 4.460 0.001 0.000 0.267 429 C C 1.892 176.784 174.990 -0.164 0.000 1.364 429 C CA -0.262 58.594 59.018 -0.271 0.000 1.723 429 C CB -1.531 26.074 27.740 -0.226 0.000 1.778 429 C HN 0.743 nan 8.230 nan 0.000 0.572 430 G N 0.420 109.136 108.800 -0.140 0.000 2.221 430 G HA2 0.050 4.011 3.960 0.001 0.000 0.265 430 G HA3 0.050 4.011 3.960 0.001 0.000 0.265 430 G C 0.935 175.776 174.900 -0.097 0.000 1.041 430 G CA 0.535 45.573 45.100 -0.103 0.000 0.807 430 G HN 1.489 nan 8.290 nan 0.000 0.502 431 G N -1.021 107.714 108.800 -0.108 0.000 2.179 431 G HA2 -0.334 3.626 3.960 0.001 0.000 0.260 431 G HA3 -0.334 3.626 3.960 0.001 0.000 0.260 431 G C 0.326 175.164 174.900 -0.103 0.000 0.977 431 G CA 0.762 45.798 45.100 -0.107 0.000 0.641 431 G HN 1.463 nan 8.290 nan 0.000 0.533 432 N N 1.069 119.706 118.700 -0.105 0.000 2.402 432 N HA 0.168 4.908 4.740 0.001 0.000 0.259 432 N C 1.193 176.654 175.510 -0.081 0.000 1.167 432 N CA 0.512 53.493 53.050 -0.115 0.000 0.949 432 N CB 0.584 38.971 38.487 -0.168 0.000 1.212 432 N HN 0.604 nan 8.380 nan 0.000 0.493 433 E N 3.220 123.380 120.200 -0.067 0.000 2.153 433 E HA -0.177 4.174 4.350 0.001 0.000 0.194 433 E C 1.453 178.064 176.600 0.018 0.000 0.988 433 E CA 1.014 57.413 56.400 -0.001 0.000 0.811 433 E CB 0.163 29.845 29.700 -0.031 0.000 0.746 433 E HN 0.729 nan 8.360 nan 0.000 0.466 434 A N 1.400 124.154 122.820 -0.109 0.000 1.883 434 A HA -0.232 4.089 4.320 0.001 0.000 0.217 434 A C 2.010 179.429 177.584 -0.274 0.000 1.186 434 A CA 1.751 53.678 52.037 -0.184 0.000 0.624 434 A CB -0.339 18.507 19.000 -0.257 0.000 0.822 434 A HN 0.135 nan 8.150 nan 0.000 0.444 435 K N -1.678 118.479 120.400 -0.405 0.000 2.057 435 K HA -0.087 4.234 4.320 0.001 0.000 0.206 435 K C 1.811 178.419 176.600 0.014 0.000 1.050 435 K CA 1.456 57.576 56.287 -0.279 0.000 0.935 435 K CB -0.344 31.996 32.500 -0.267 0.000 0.715 435 K HN 0.496 nan 8.250 nan 0.000 0.439 436 F N 2.316 122.245 119.950 -0.035 0.000 2.095 436 F HA -0.204 4.324 4.527 0.001 0.000 0.298 436 F C 2.207 178.063 175.800 0.093 0.000 1.104 436 F CA 1.503 59.586 58.000 0.139 0.000 1.232 436 F CB 0.031 39.104 39.000 0.122 0.000 0.987 436 F HN -0.128 nan 8.300 nan 0.000 0.475 437 R N -0.259 120.334 120.500 0.155 0.000 2.081 437 R HA -0.157 4.184 4.340 0.001 0.000 0.235 437 R C 2.140 178.465 176.300 0.042 0.000 1.131 437 R CA 1.532 57.687 56.100 0.092 0.000 0.960 437 R CB -0.873 29.363 30.300 -0.107 0.000 0.856 437 R HN 0.335 nan 8.270 nan 0.000 0.436 438 L N 0.781 121.990 121.223 -0.023 0.000 2.083 438 L HA -0.083 4.258 4.340 0.001 0.000 0.209 438 L C 2.193 178.842 176.870 -0.369 0.000 1.083 438 L CA 1.755 56.584 54.840 -0.017 0.000 0.752 438 L CB -0.506 41.635 42.059 0.136 0.000 0.899 438 L HN 0.112 nan 8.230 nan 0.000 0.433 439 A N -1.425 120.974 122.820 -0.702 0.000 1.930 439 A HA -0.106 4.215 4.320 0.001 0.000 0.217 439 A C 2.230 179.485 177.584 -0.547 0.000 1.175 439 A CA 1.743 53.105 52.037 -1.124 0.000 0.627 439 A CB -0.916 17.624 19.000 -0.767 0.000 0.815 439 A HN 0.273 nan 8.150 nan 0.000 0.443 440 V N -0.141 119.484 119.914 -0.481 0.000 2.427 440 V HA -0.208 3.913 4.120 0.001 0.000 0.248 440 V C 2.453 178.375 176.094 -0.286 0.000 1.051 440 V CA 1.719 63.750 62.300 -0.449 0.000 1.048 440 V CB -0.678 30.795 31.823 -0.583 0.000 0.666 440 V HN 0.636 nan 8.190 nan 0.000 0.456 441 L N -0.837 120.319 121.223 -0.112 0.000 2.083 441 L HA -0.200 4.140 4.340 0.001 0.000 0.209 441 L C 2.272 179.206 176.870 0.105 0.000 1.083 441 L CA 1.929 56.761 54.840 -0.013 0.000 0.752 441 L CB -0.289 41.879 42.059 0.182 0.000 0.899 441 L HN 0.398 nan 8.230 nan 0.000 0.433 442 F N 0.112 120.076 119.950 0.024 0.000 2.146 442 F HA -0.258 4.269 4.527 0.001 0.000 0.298 442 F C 2.636 178.579 175.800 0.238 0.000 1.096 442 F CA 1.862 60.011 58.000 0.248 0.000 1.275 442 F CB -0.169 38.989 39.000 0.264 0.000 1.008 442 F HN 0.150 nan 8.300 nan 0.000 0.480 443 Q N -0.150 119.648 119.800 -0.002 0.000 2.096 443 Q HA -0.262 4.079 4.340 0.001 0.000 0.204 443 Q C 2.004 177.907 176.000 -0.161 0.000 0.982 443 Q CA 1.894 57.664 55.803 -0.055 0.000 0.850 443 Q CB -0.192 28.507 28.738 -0.066 0.000 0.901 443 Q HN 0.423 nan 8.270 nan 0.000 0.422 444 M N -0.122 119.374 119.600 -0.174 0.000 2.562 444 M HA -0.047 4.433 4.480 0.001 0.000 0.257 444 M C 1.496 177.720 176.300 -0.126 0.000 1.099 444 M CA 1.405 56.587 55.300 -0.196 0.000 1.099 444 M CB 0.251 32.678 32.600 -0.287 0.000 1.427 444 M HN 0.398 nan 8.290 nan 0.000 0.489 445 T N -4.275 110.263 114.554 -0.026 0.000 2.975 445 T HA 0.132 4.483 4.350 0.001 0.000 0.257 445 T C 0.423 175.246 174.700 0.206 0.000 1.003 445 T CA -0.359 61.801 62.100 0.100 0.000 0.932 445 T CB -0.305 68.685 68.868 0.204 0.000 1.087 445 T HN 0.155 nan 8.240 nan 0.000 0.512 446 Y N 2.025 122.223 120.300 -0.171 0.000 2.281 446 Y HA 0.537 5.088 4.550 0.001 0.000 0.337 446 Y C 0.204 175.963 175.900 -0.236 0.000 1.304 446 Y CA -2.237 55.634 58.100 -0.382 0.000 1.465 446 Y CB 0.480 38.363 38.460 -0.962 0.000 1.350 446 Y HN 0.163 nan 8.280 nan 0.000 0.575 447 L N 3.629 124.155 121.223 -1.162 0.000 2.477 447 L HA 0.468 4.809 4.340 0.001 0.000 0.272 447 L C 0.195 176.775 176.870 -0.482 0.000 1.157 447 L CA 1.405 55.803 54.840 -0.736 0.000 0.889 447 L CB -0.536 41.050 42.059 -0.789 0.000 1.158 447 L HN 0.854 nan 8.230 nan 0.000 0.473 448 G N 2.698 111.322 108.800 -0.293 0.000 2.334 448 G HA2 0.045 4.006 3.960 0.001 0.000 0.315 448 G HA3 0.045 4.006 3.960 0.001 0.000 0.315 448 G C -0.955 173.825 174.900 -0.200 0.000 1.284 448 G CA -0.476 44.492 45.100 -0.220 0.000 0.985 448 G HN 0.612 nan 8.290 nan 0.000 0.504 449 T N 3.019 117.469 114.554 -0.173 0.000 2.756 449 T HA 0.630 4.981 4.350 0.001 0.000 0.290 449 T C -2.606 171.917 174.700 -0.295 0.000 0.985 449 T CA -0.754 61.234 62.100 -0.187 0.000 0.955 449 T CB 1.842 70.650 68.868 -0.100 0.000 0.930 449 T HN 0.381 nan 8.240 nan 0.000 0.451 450 P HA 0.276 nan 4.420 nan 0.000 0.271 450 P C -0.985 176.121 177.300 -0.323 0.000 1.220 450 P CA -0.641 62.289 63.100 -0.284 0.000 0.768 450 P CB 0.482 32.055 31.700 -0.212 0.000 0.848 451 L N 5.381 126.421 121.223 -0.304 0.000 2.349 451 L HA 0.502 4.843 4.340 0.001 0.000 0.278 451 L C -1.112 175.678 176.870 -0.133 0.000 0.996 451 L CA -0.397 54.261 54.840 -0.304 0.000 0.825 451 L CB 0.758 42.613 42.059 -0.341 0.000 1.243 451 L HN 0.235 nan 8.230 nan 0.000 0.412 452 I N 5.118 125.632 120.570 -0.093 0.000 2.336 452 I HA 0.232 4.403 4.170 0.001 0.000 0.292 452 I C -1.044 174.977 176.117 -0.160 0.000 0.991 452 I CA -0.844 60.432 61.300 -0.040 0.000 1.227 452 I CB 1.238 39.265 38.000 0.044 0.000 1.366 452 I HN 0.538 nan 8.210 nan 0.000 0.466 453 Y N 8.232 128.416 120.300 -0.193 0.000 2.336 453 Y HA 0.182 4.733 4.550 0.001 0.000 0.335 453 Y C 0.021 175.709 175.900 -0.354 0.000 1.046 453 Y CA -1.370 56.610 58.100 -0.200 0.000 1.198 453 Y CB 0.233 38.648 38.460 -0.076 0.000 1.182 453 Y HN 0.464 nan 8.280 nan 0.000 0.502 454 Y N 4.672 124.481 120.300 -0.817 0.000 2.944 454 Y HA 0.251 4.801 4.550 0.001 0.000 0.340 454 Y C 1.090 176.777 175.900 -0.355 0.000 1.275 454 Y CA 0.337 58.079 58.100 -0.597 0.000 1.590 454 Y CB -0.113 38.193 38.460 -0.257 0.000 1.218 454 Y HN 0.956 nan 8.280 nan 0.000 0.576 455 G N 2.831 111.527 108.800 -0.173 0.000 2.284 455 G HA2 -0.371 3.589 3.960 0.001 0.000 0.230 455 G HA3 -0.371 3.589 3.960 0.001 0.000 0.230 455 G C 0.753 175.541 174.900 -0.186 0.000 1.021 455 G CA 0.360 45.301 45.100 -0.264 0.000 0.619 455 G HN 0.626 nan 8.290 nan 0.000 0.510 456 D N 1.357 121.668 120.400 -0.148 0.000 2.149 456 D HA -0.048 4.593 4.640 0.001 0.000 0.198 456 D C 2.466 178.789 176.300 0.039 0.000 0.990 456 D CA 1.482 55.511 54.000 0.049 0.000 0.839 456 D CB -0.132 40.837 40.800 0.282 0.000 0.948 456 D HN 0.732 nan 8.370 nan 0.000 0.460 457 E N 1.008 121.092 120.200 -0.194 0.000 2.409 457 E HA -0.155 4.196 4.350 0.001 0.000 0.198 457 E C 1.310 177.936 176.600 0.044 0.000 1.024 457 E CA 0.669 56.786 56.400 -0.471 0.000 0.861 457 E CB -0.317 29.029 29.700 -0.590 0.000 0.788 457 E HN 0.445 nan 8.360 nan 0.000 0.521 458 I N -3.486 117.123 120.570 0.064 0.000 3.856 458 I HA 0.579 4.750 4.170 0.001 0.000 0.330 458 I C 1.012 177.115 176.117 -0.023 0.000 1.546 458 I CA -0.248 61.095 61.300 0.072 0.000 1.132 458 I CB 0.777 38.794 38.000 0.029 0.000 1.157 458 I HN 0.011 nan 8.210 nan 0.000 0.440 459 G N 1.040 109.799 108.800 -0.068 0.000 2.137 459 G HA2 -0.263 3.697 3.960 0.001 0.000 0.237 459 G HA3 -0.263 3.697 3.960 0.001 0.000 0.237 459 G C 0.171 174.958 174.900 -0.188 0.000 1.002 459 G CA 0.193 45.192 45.100 -0.168 0.000 0.702 459 G HN 0.413 nan 8.290 nan 0.000 0.515 460 M N 0.246 119.736 119.600 -0.183 0.000 2.240 460 M HA 0.519 5.000 4.480 0.001 0.000 0.333 460 M C 0.732 176.931 176.300 -0.168 0.000 1.110 460 M CA 0.948 56.136 55.300 -0.187 0.000 1.173 460 M CB 1.115 33.570 32.600 -0.242 0.000 1.458 460 M HN 0.617 nan 8.290 nan 0.000 0.458 461 A N 1.207 123.941 122.820 -0.142 0.000 2.486 461 A HA 1.035 5.356 4.320 0.001 0.000 0.289 461 A C -0.444 177.090 177.584 -0.084 0.000 1.176 461 A CA -0.237 51.736 52.037 -0.107 0.000 0.757 461 A CB 1.885 20.819 19.000 -0.110 0.000 1.337 461 A HN 0.949 nan 8.150 nan 0.000 0.423 462 G N -1.860 106.907 108.800 -0.056 0.000 2.368 462 G HA2 0.628 4.588 3.960 0.001 0.000 0.301 462 G HA3 0.628 4.588 3.960 0.001 0.000 0.301 462 G C -0.377 174.508 174.900 -0.025 0.000 1.640 462 G CA 0.211 45.283 45.100 -0.047 0.000 0.941 462 G HN 1.867 nan 8.290 nan 0.000 0.695 463 A N 0.463 123.267 122.820 -0.027 0.000 2.251 463 A HA 0.861 5.182 4.320 0.001 0.000 0.278 463 A C 1.226 178.806 177.584 -0.006 0.000 1.206 463 A CA 0.856 52.884 52.037 -0.015 0.000 0.822 463 A CB 0.243 19.232 19.000 -0.017 0.000 1.187 463 A HN 1.841 nan 8.150 nan 0.000 0.504 464 T N -0.823 113.733 114.554 0.004 0.000 2.766 464 T HA 0.248 4.599 4.350 0.001 0.000 0.295 464 T C 0.238 174.933 174.700 -0.008 0.000 1.024 464 T CA 0.237 62.344 62.100 0.011 0.000 1.018 464 T CB -0.015 68.870 68.868 0.030 0.000 1.002 464 T HN 0.752 nan 8.240 nan 0.000 0.532 465 D N 1.863 122.260 120.400 -0.004 0.000 2.877 465 D HA -0.059 4.582 4.640 0.001 0.000 0.220 465 D C -1.285 174.950 176.300 -0.109 0.000 1.089 465 D CA -0.816 53.168 54.000 -0.027 0.000 0.811 465 D CB 0.802 41.619 40.800 0.029 0.000 1.162 465 D HN 0.313 nan 8.370 nan 0.000 0.513 466 P HA 0.035 nan 4.420 nan 0.000 0.255 466 P C 0.495 177.715 177.300 -0.133 0.000 1.248 466 P CA 0.057 63.027 63.100 -0.216 0.000 0.807 466 P CB 0.442 31.915 31.700 -0.379 0.000 1.150 467 D N 0.492 120.829 120.400 -0.104 0.000 2.310 467 D HA -0.115 4.526 4.640 0.001 0.000 0.212 467 D C 1.512 177.777 176.300 -0.059 0.000 0.965 467 D CA 0.742 54.695 54.000 -0.078 0.000 0.879 467 D CB -0.510 40.255 40.800 -0.059 0.000 0.921 467 D HN 0.209 nan 8.370 nan 0.000 0.510 468 C N -0.881 118.404 119.300 -0.026 0.000 2.576 468 C HA 0.344 4.804 4.460 0.001 0.000 0.267 468 C C 1.332 176.368 174.990 0.077 0.000 1.364 468 C CA -0.650 58.393 59.018 0.042 0.000 1.723 468 C CB -1.204 26.579 27.740 0.072 0.000 1.778 468 C HN 0.035 nan 8.230 nan 0.000 0.572 469 R N 0.772 121.258 120.500 -0.023 0.000 2.791 469 R HA 0.276 4.617 4.340 0.001 0.000 0.357 469 R C 0.001 176.245 176.300 -0.093 0.000 1.173 469 R CA -0.243 55.830 56.100 -0.046 0.000 1.060 469 R CB 0.007 30.151 30.300 -0.260 0.000 1.406 469 R HN 0.560 nan 8.270 nan 0.000 0.580 470 R N 2.140 122.548 120.500 -0.153 0.000 2.694 470 R HA 0.111 4.452 4.340 0.001 0.000 0.268 470 R C -2.068 173.989 176.300 -0.405 0.000 1.061 470 R CA -1.503 54.393 56.100 -0.340 0.000 1.133 470 R CB 0.076 30.207 30.300 -0.282 0.000 1.020 470 R HN 0.016 nan 8.270 nan 0.000 0.475 471 P HA -0.095 nan 4.420 nan 0.000 0.268 471 P C -0.420 176.604 177.300 -0.460 0.000 1.204 471 P CA -0.136 62.321 63.100 -1.072 0.000 0.768 471 P CB 0.562 30.947 31.700 -2.192 0.000 0.842 472 M N 4.455 124.036 119.600 -0.032 0.000 2.248 472 M HA 0.034 4.515 4.480 0.001 0.000 0.343 472 M C -0.315 175.840 176.300 -0.241 0.000 1.243 472 M CA 0.590 55.827 55.300 -0.106 0.000 1.025 472 M CB -0.479 31.962 32.600 -0.264 0.000 1.759 472 M HN 0.149 nan 8.290 nan 0.000 0.452 473 I N 6.619 126.957 120.570 -0.388 0.000 2.337 473 I HA -0.013 4.158 4.170 0.001 0.000 0.291 473 I C -0.103 175.750 176.117 -0.440 0.000 1.046 473 I CA 0.453 61.596 61.300 -0.260 0.000 1.324 473 I CB -0.483 37.404 38.000 -0.189 0.000 1.409 473 I HN 0.961 nan 8.210 nan 0.000 0.494 474 W N 3.093 124.366 121.300 -0.044 0.000 2.993 474 W HA 0.174 4.834 4.660 0.001 0.000 0.290 474 W C 1.059 177.497 176.519 -0.136 0.000 1.203 474 W CA -0.354 56.888 57.345 -0.171 0.000 1.582 474 W CB 0.566 29.878 29.460 -0.246 0.000 1.033 474 W HN 0.449 nan 8.180 nan 0.000 0.594 475 E N 2.316 122.586 120.200 0.117 0.000 2.328 475 E HA -0.091 4.260 4.350 0.001 0.000 0.265 475 E C 1.303 177.918 176.600 0.025 0.000 1.057 475 E CA 0.076 56.511 56.400 0.059 0.000 0.916 475 E CB 0.809 30.536 29.700 0.046 0.000 0.993 475 E HN 0.212 nan 8.360 nan 0.000 0.446 476 E N 3.618 123.829 120.200 0.019 0.000 2.097 476 E HA -0.280 4.071 4.350 0.001 0.000 0.196 476 E C 1.013 177.612 176.600 -0.002 0.000 1.000 476 E CA 1.505 57.906 56.400 0.001 0.000 0.804 476 E CB 0.246 29.946 29.700 -0.000 0.000 0.740 476 E HN 0.327 nan 8.360 nan 0.000 0.454 477 K N 0.542 120.944 120.400 0.003 0.000 2.280 477 K HA -0.085 4.236 4.320 0.001 0.000 0.202 477 K C 1.517 178.115 176.600 -0.002 0.000 1.047 477 K CA 0.862 57.151 56.287 0.003 0.000 0.942 477 K CB 0.133 32.636 32.500 0.005 0.000 0.739 477 K HN 0.136 nan 8.250 nan 0.000 0.457 478 E N 0.382 120.579 120.200 -0.006 0.000 2.474 478 E HA 0.044 4.394 4.350 0.001 0.000 0.195 478 E C -0.213 176.366 176.600 -0.034 0.000 1.039 478 E CA 0.198 56.587 56.400 -0.018 0.000 0.881 478 E CB 0.324 30.015 29.700 -0.015 0.000 0.970 478 E HN 0.423 nan 8.360 nan 0.000 0.486 479 Q N 0.787 120.569 119.800 -0.029 0.000 2.222 479 Q HA 0.228 4.568 4.340 0.001 0.000 0.252 479 Q C 0.082 176.081 176.000 -0.001 0.000 0.926 479 Q CA -0.547 55.236 55.803 -0.035 0.000 0.899 479 Q CB 1.020 29.728 28.738 -0.049 0.000 1.250 479 Q HN -0.141 nan 8.270 nan 0.000 0.441 480 N N 2.043 120.753 118.700 0.017 0.000 2.555 480 N HA 0.020 4.761 4.740 0.001 0.000 0.244 480 N C 0.301 175.885 175.510 0.124 0.000 1.114 480 N CA 0.053 53.135 53.050 0.053 0.000 0.963 480 N CB 0.409 38.921 38.487 0.042 0.000 1.276 480 N HN 0.460 nan 8.380 nan 0.000 0.510 481 R N 2.054 122.622 120.500 0.112 0.000 2.115 481 R HA -0.021 4.320 4.340 0.001 0.000 0.230 481 R C 1.774 178.220 176.300 0.244 0.000 1.111 481 R CA 0.987 57.192 56.100 0.175 0.000 0.976 481 R CB -0.920 29.445 30.300 0.109 0.000 0.870 481 R HN 0.557 nan 8.270 nan 0.000 0.445 482 G N 1.257 110.162 108.800 0.175 0.000 2.442 482 G HA2 -0.224 3.737 3.960 0.001 0.000 0.219 482 G HA3 -0.224 3.737 3.960 0.001 0.000 0.219 482 G C 1.557 176.606 174.900 0.249 0.000 1.141 482 G CA 0.201 45.405 45.100 0.173 0.000 0.763 482 G HN 0.208 nan 8.290 nan 0.000 0.554 483 L N -0.828 120.560 121.223 0.275 0.000 2.027 483 L HA 0.039 4.380 4.340 0.001 0.000 0.206 483 L C 2.576 179.758 176.870 0.520 0.000 1.074 483 L CA 1.235 56.322 54.840 0.411 0.000 0.745 483 L CB -0.305 41.972 42.059 0.363 0.000 0.898 483 L HN 0.308 nan 8.230 nan 0.000 0.433 484 F N 0.943 121.042 119.950 0.248 0.000 2.120 484 F HA -0.297 4.231 4.527 0.001 0.000 0.300 484 F C 2.549 178.471 175.800 0.203 0.000 1.095 484 F CA 1.735 59.845 58.000 0.183 0.000 1.249 484 F CB 0.033 39.104 39.000 0.118 0.000 0.995 484 F HN 0.103 nan 8.300 nan 0.000 0.480 485 E N -0.142 120.226 120.200 0.280 0.000 2.150 485 E HA -0.223 4.128 4.350 0.001 0.000 0.193 485 E C 2.117 178.812 176.600 0.158 0.000 0.985 485 E CA 1.131 57.624 56.400 0.155 0.000 0.814 485 E CB -0.857 28.965 29.700 0.203 0.000 0.752 485 E HN 0.580 nan 8.360 nan 0.000 0.466 486 F N 0.302 120.308 119.950 0.095 0.000 2.102 486 F HA -0.296 4.232 4.527 0.001 0.000 0.298 486 F C 2.154 177.963 175.800 0.014 0.000 1.105 486 F CA 1.260 59.296 58.000 0.060 0.000 1.239 486 F CB -0.157 38.900 39.000 0.095 0.000 0.991 486 F HN -0.038 nan 8.300 nan 0.000 0.474 487 Y N 1.072 121.291 120.300 -0.136 0.000 2.128 487 Y HA -0.250 4.301 4.550 0.001 0.000 0.284 487 Y C 2.416 178.116 175.900 -0.333 0.000 1.154 487 Y CA 2.065 59.994 58.100 -0.285 0.000 1.149 487 Y CB -0.592 37.759 38.460 -0.180 0.000 0.976 487 Y HN -0.027 nan 8.280 nan 0.000 0.505 488 K N -0.127 120.162 120.400 -0.184 0.000 2.074 488 K HA -0.279 4.042 4.320 0.001 0.000 0.209 488 K C 2.084 178.586 176.600 -0.164 0.000 1.048 488 K CA 1.926 58.075 56.287 -0.231 0.000 0.926 488 K CB -0.231 32.104 32.500 -0.274 0.000 0.713 488 K HN 0.391 nan 8.250 nan 0.000 0.444 489 E N 0.975 121.088 120.200 -0.144 0.000 2.072 489 E HA -0.150 4.200 4.350 0.001 0.000 0.191 489 E C 1.985 178.463 176.600 -0.203 0.000 0.985 489 E CA 0.716 57.039 56.400 -0.127 0.000 0.801 489 E CB 0.063 29.728 29.700 -0.058 0.000 0.750 489 E HN 0.215 nan 8.360 nan 0.000 0.452 490 L N 0.580 121.603 121.223 -0.333 0.000 2.093 490 L HA -0.162 4.179 4.340 0.001 0.000 0.208 490 L C 2.455 179.137 176.870 -0.313 0.000 1.085 490 L CA 0.817 55.434 54.840 -0.371 0.000 0.755 490 L CB -0.276 41.440 42.059 -0.572 0.000 0.904 490 L HN 0.250 nan 8.230 nan 0.000 0.435 491 I N -0.680 119.714 120.570 -0.294 0.000 2.315 491 I HA -0.236 3.935 4.170 0.001 0.000 0.248 491 I C 2.712 178.598 176.117 -0.384 0.000 1.117 491 I CA 1.060 62.153 61.300 -0.344 0.000 1.404 491 I CB -0.271 37.599 38.000 -0.218 0.000 1.071 491 I HN 0.193 nan 8.210 nan 0.000 0.419 492 R N 0.601 120.992 120.500 -0.183 0.000 2.075 492 R HA -0.094 4.247 4.340 0.001 0.000 0.232 492 R C 2.330 178.560 176.300 -0.117 0.000 1.126 492 R CA 1.169 57.227 56.100 -0.070 0.000 0.963 492 R CB -0.377 29.895 30.300 -0.048 0.000 0.858 492 R HN 0.348 nan 8.270 nan 0.000 0.435 493 L N 0.166 121.290 121.223 -0.165 0.000 2.046 493 L HA -0.162 4.179 4.340 0.001 0.000 0.208 493 L C 2.799 179.560 176.870 -0.183 0.000 1.077 493 L CA 1.264 56.005 54.840 -0.163 0.000 0.747 493 L CB -0.406 41.561 42.059 -0.153 0.000 0.896 493 L HN 0.181 nan 8.230 nan 0.000 0.432 494 R N -0.811 119.539 120.500 -0.250 0.000 2.105 494 R HA -0.179 4.162 4.340 0.001 0.000 0.239 494 R C 2.358 178.544 176.300 -0.190 0.000 1.135 494 R CA 1.346 57.293 56.100 -0.254 0.000 0.967 494 R CB -0.127 29.960 30.300 -0.354 0.000 0.861 494 R HN 0.437 nan 8.270 nan 0.000 0.442 495 H N -0.445 118.566 119.070 -0.098 0.000 2.462 495 H HA 0.012 4.569 4.556 0.001 0.000 0.292 495 H C 1.838 177.106 175.328 -0.100 0.000 1.049 495 H CA 1.028 57.024 56.048 -0.086 0.000 1.334 495 H CB 0.118 29.834 29.762 -0.077 0.000 1.404 495 H HN 0.227 nan 8.280 nan 0.000 0.544 496 R N 0.019 120.503 120.500 -0.027 0.000 2.210 496 R HA 0.181 4.522 4.340 0.001 0.000 0.203 496 R C 0.213 176.405 176.300 -0.179 0.000 1.010 496 R CA 0.151 56.185 56.100 -0.109 0.000 1.008 496 R CB 0.464 30.671 30.300 -0.155 0.000 0.923 496 R HN 0.056 nan 8.270 nan 0.000 0.469 497 L N 0.693 121.812 121.223 -0.173 0.000 2.277 497 L HA 0.344 4.684 4.340 0.001 0.000 0.284 497 L C 1.027 177.843 176.870 -0.091 0.000 1.028 497 L CA -0.552 54.177 54.840 -0.186 0.000 0.835 497 L CB 1.681 43.621 42.059 -0.197 0.000 1.215 497 L HN 0.068 nan 8.230 nan 0.000 0.425 498 A N 1.975 124.757 122.820 -0.063 0.000 2.032 498 A HA -0.163 4.158 4.320 0.001 0.000 0.221 498 A C 2.282 179.854 177.584 -0.019 0.000 1.165 498 A CA 2.005 54.024 52.037 -0.030 0.000 0.645 498 A CB -0.223 18.767 19.000 -0.017 0.000 0.807 498 A HN 0.732 nan 8.150 nan 0.000 0.453 499 S N -0.169 115.529 115.700 -0.004 0.000 2.382 499 S HA -0.094 4.377 4.470 0.001 0.000 0.228 499 S C 1.683 176.283 174.600 -0.000 0.000 1.027 499 S CA 1.428 59.639 58.200 0.018 0.000 0.991 499 S CB -0.396 62.842 63.200 0.062 0.000 0.823 499 S HN 0.585 nan 8.310 nan 0.000 0.469 500 L N 1.158 122.369 121.223 -0.019 0.000 2.291 500 L HA -0.052 4.288 4.340 0.001 0.000 0.214 500 L C 2.499 179.331 176.870 -0.064 0.000 1.120 500 L CA 1.451 56.270 54.840 -0.035 0.000 0.799 500 L CB -0.889 41.135 42.059 -0.058 0.000 0.925 500 L HN 0.510 nan 8.230 nan 0.000 0.446 501 T N -4.675 109.846 114.554 -0.056 0.000 2.999 501 T HA 0.099 4.450 4.350 0.001 0.000 0.247 501 T C 1.706 176.368 174.700 -0.064 0.000 1.012 501 T CA -0.246 61.817 62.100 -0.062 0.000 1.048 501 T CB 0.234 69.083 68.868 -0.032 0.000 1.020 501 T HN 0.171 nan 8.240 nan 0.000 0.478 502 R N 0.772 121.243 120.500 -0.049 0.000 2.535 502 R HA 0.428 4.768 4.340 0.001 0.000 0.323 502 R C 0.905 177.179 176.300 -0.043 0.000 0.979 502 R CA -0.252 55.818 56.100 -0.050 0.000 1.120 502 R CB 1.147 31.425 30.300 -0.036 0.000 1.306 502 R HN 0.415 nan 8.270 nan 0.000 0.540 503 G N 0.647 109.424 108.800 -0.037 0.000 2.502 503 G HA2 0.136 4.096 3.960 0.001 0.000 0.305 503 G HA3 0.136 4.096 3.960 0.001 0.000 0.305 503 G C -0.251 174.626 174.900 -0.039 0.000 1.190 503 G CA -0.709 44.380 45.100 -0.019 0.000 0.933 503 G HN 0.306 nan 8.290 nan 0.000 0.503 504 N N -2.235 116.453 118.700 -0.019 0.000 2.374 504 N HA 0.505 5.245 4.740 0.001 0.000 0.284 504 N C -0.953 174.541 175.510 -0.026 0.000 1.280 504 N CA -0.691 52.338 53.050 -0.036 0.000 0.963 504 N CB 1.181 39.660 38.487 -0.013 0.000 1.141 504 N HN 0.270 nan 8.380 nan 0.000 0.565 505 V N -0.523 119.373 119.914 -0.031 0.000 2.808 505 V HA 0.531 4.652 4.120 0.001 0.000 0.308 505 V C -0.756 175.372 176.094 0.057 0.000 1.099 505 V CA -0.903 61.407 62.300 0.017 0.000 0.920 505 V CB 1.742 33.504 31.823 -0.101 0.000 1.014 505 V HN 0.693 nan 8.190 nan 0.000 0.425 506 R N 1.473 122.046 120.500 0.123 0.000 2.604 506 R HA 0.552 4.893 4.340 0.001 0.000 0.281 506 R C -0.741 175.681 176.300 0.203 0.000 1.020 506 R CA -0.654 55.515 56.100 0.115 0.000 0.899 506 R CB 2.253 32.584 30.300 0.051 0.000 1.205 506 R HN 0.722 nan 8.270 nan 0.000 0.450 507 S N 1.580 117.409 115.700 0.214 0.000 2.549 507 S HA 0.053 4.523 4.470 0.001 0.000 0.283 507 S C 0.282 175.045 174.600 0.271 0.000 1.320 507 S CA -0.328 58.036 58.200 0.274 0.000 1.058 507 S CB 0.670 64.036 63.200 0.277 0.000 0.882 507 S HN 0.632 nan 8.310 nan 0.000 0.498 508 W N 2.951 124.261 121.300 0.018 0.000 2.728 508 W HA 0.291 4.952 4.660 0.001 0.000 0.270 508 W C 0.511 177.066 176.519 0.060 0.000 1.150 508 W CA 0.641 57.985 57.345 -0.002 0.000 1.518 508 W CB -0.191 29.226 29.460 -0.072 0.000 1.069 508 W HN 0.769 nan 8.180 nan 0.000 0.590 509 H N -0.554 118.513 119.070 -0.004 0.000 3.038 509 H HA 0.560 5.117 4.556 0.001 0.000 0.362 509 H C -1.463 173.875 175.328 0.016 0.000 1.167 509 H CA -0.203 55.780 56.048 -0.109 0.000 1.197 509 H CB 1.743 31.293 29.762 -0.354 0.000 1.840 509 H HN -0.043 nan 8.280 nan 0.000 0.540 510 A N 4.072 126.672 122.820 -0.367 0.000 2.547 510 A HA 0.393 4.714 4.320 0.001 0.000 0.279 510 A C -1.723 175.703 177.584 -0.265 0.000 1.088 510 A CA -0.580 51.408 52.037 -0.083 0.000 0.796 510 A CB 0.798 19.865 19.000 0.111 0.000 1.308 510 A HN 0.680 nan 8.150 nan 0.000 0.415 511 D N 2.531 122.833 120.400 -0.163 0.000 2.462 511 D HA 0.277 4.918 4.640 0.001 0.000 0.245 511 D C 1.191 177.435 176.300 -0.094 0.000 1.122 511 D CA -0.465 53.450 54.000 -0.141 0.000 0.864 511 D CB 1.226 41.994 40.800 -0.053 0.000 1.098 511 D HN 0.494 nan 8.370 nan 0.000 0.541 512 K N 2.725 123.000 120.400 -0.208 0.000 2.152 512 K HA -0.282 4.039 4.320 0.001 0.000 0.206 512 K C 1.380 177.893 176.600 -0.145 0.000 1.048 512 K CA 1.082 57.167 56.287 -0.336 0.000 0.933 512 K CB 0.063 32.109 32.500 -0.758 0.000 0.721 512 K HN 0.330 nan 8.250 nan 0.000 0.447 513 Q N 1.406 121.145 119.800 -0.102 0.000 1.969 513 Q HA -0.003 4.338 4.340 0.001 0.000 0.198 513 Q C 2.148 178.135 176.000 -0.022 0.000 0.978 513 Q CA 2.239 58.012 55.803 -0.051 0.000 0.830 513 Q CB -0.514 28.197 28.738 -0.045 0.000 0.896 513 Q HN 0.426 nan 8.270 nan 0.000 0.431 514 A N -0.101 122.714 122.820 -0.009 0.000 2.119 514 A HA -0.014 4.306 4.320 0.001 0.000 0.217 514 A C 0.734 178.329 177.584 0.018 0.000 1.153 514 A CA 0.958 52.994 52.037 -0.001 0.000 0.692 514 A CB -0.451 18.556 19.000 0.013 0.000 0.799 514 A HN 0.677 nan 8.150 nan 0.000 0.458 515 N N -2.193 116.538 118.700 0.051 0.000 2.758 515 N HA -0.147 4.594 4.740 0.001 0.000 0.248 515 N C -0.514 175.110 175.510 0.191 0.000 1.076 515 N CA 0.816 53.943 53.050 0.129 0.000 0.696 515 N CB -1.787 36.742 38.487 0.070 0.000 0.979 515 N HN 0.565 nan 8.380 nan 0.000 0.550 516 L N 0.943 122.273 121.223 0.179 0.000 2.295 516 L HA 0.584 4.925 4.340 0.001 0.000 0.285 516 L C -0.629 176.431 176.870 0.317 0.000 1.035 516 L CA -0.866 54.103 54.840 0.216 0.000 0.806 516 L CB 0.833 42.973 42.059 0.135 0.000 1.214 516 L HN 0.226 nan 8.230 nan 0.000 0.426 517 Y N 4.688 125.120 120.300 0.220 0.000 2.425 517 Y HA 0.774 5.325 4.550 0.001 0.000 0.344 517 Y C -0.804 175.269 175.900 0.288 0.000 0.969 517 Y CA -0.666 57.567 58.100 0.222 0.000 1.052 517 Y CB 1.820 40.397 38.460 0.196 0.000 1.215 517 Y HN 0.705 nan 8.280 nan 0.000 0.451 518 A N 5.950 128.468 122.820 -0.502 0.000 2.486 518 A HA 0.756 5.077 4.320 0.001 0.000 0.300 518 A C -1.909 175.552 177.584 -0.205 0.000 1.048 518 A CA -0.538 51.331 52.037 -0.280 0.000 0.696 518 A CB 0.785 19.681 19.000 -0.174 0.000 1.278 518 A HN 0.807 nan 8.150 nan 0.000 0.405 519 F N -0.158 119.759 119.950 -0.055 0.000 2.650 519 F HA 0.887 5.415 4.527 0.001 0.000 0.320 519 F C -1.070 174.801 175.800 0.118 0.000 1.091 519 F CA -1.483 56.557 58.000 0.066 0.000 0.962 519 F CB 1.365 40.448 39.000 0.138 0.000 1.363 519 F HN 0.336 nan 8.300 nan 0.000 0.482 520 V N 2.244 122.265 119.914 0.178 0.000 2.531 520 V HA 0.554 4.675 4.120 0.001 0.000 0.301 520 V C -0.688 175.471 176.094 0.110 0.000 1.034 520 V CA -0.806 61.462 62.300 -0.055 0.000 0.865 520 V CB 1.783 33.406 31.823 -0.334 0.000 0.995 520 V HN 0.669 nan 8.190 nan 0.000 0.424 521 R N 2.471 123.033 120.500 0.104 0.000 2.265 521 R HA 0.704 5.045 4.340 0.001 0.000 0.319 521 R C -0.460 175.908 176.300 0.114 0.000 1.006 521 R CA -0.352 55.822 56.100 0.123 0.000 0.880 521 R CB 1.548 31.920 30.300 0.121 0.000 1.077 521 R HN 0.700 nan 8.270 nan 0.000 0.454 522 T N 1.215 115.833 114.554 0.107 0.000 2.886 522 T HA 0.442 4.792 4.350 0.001 0.000 0.292 522 T C -1.136 173.606 174.700 0.069 0.000 1.012 522 T CA -0.587 61.603 62.100 0.151 0.000 0.982 522 T CB 2.103 71.110 68.868 0.232 0.000 1.018 522 T HN 0.255 nan 8.240 nan 0.000 0.451 523 V N 4.061 123.999 119.914 0.039 0.000 2.655 523 V HA 0.532 4.653 4.120 0.001 0.000 0.301 523 V C -0.223 175.860 176.094 -0.019 0.000 1.082 523 V CA -0.123 62.182 62.300 0.008 0.000 0.899 523 V CB 1.339 33.164 31.823 0.004 0.000 1.014 523 V HN 0.976 nan 8.190 nan 0.000 0.429 524 Q N 3.924 123.710 119.800 -0.023 0.000 1.555 524 Q HA -0.224 4.117 4.340 0.001 0.000 0.344 524 Q C 0.628 176.569 176.000 -0.099 0.000 0.887 524 Q CA 2.358 58.136 55.803 -0.041 0.000 0.829 524 Q CB -1.005 27.714 28.738 -0.033 0.000 3.625 524 Q HN 0.860 nan 8.270 nan 0.000 0.622 525 D N 0.258 120.578 120.400 -0.132 0.000 2.350 525 D HA 0.016 4.657 4.640 0.001 0.000 0.213 525 D C 0.135 176.196 176.300 -0.398 0.000 1.031 525 D CA 0.271 54.123 54.000 -0.247 0.000 0.861 525 D CB 0.074 40.779 40.800 -0.159 0.000 0.926 525 D HN 0.322 nan 8.370 nan 0.000 0.520 526 Q N 1.003 120.673 119.800 -0.217 0.000 2.304 526 Q HA 0.080 4.421 4.340 0.001 0.000 0.260 526 Q C -1.027 174.893 176.000 -0.133 0.000 0.965 526 Q CA 0.248 55.992 55.803 -0.099 0.000 0.898 526 Q CB 0.426 29.226 28.738 0.103 0.000 1.196 526 Q HN 0.219 nan 8.270 nan 0.000 0.402 527 H N 1.639 120.763 119.070 0.090 0.000 2.589 527 H HA 0.499 5.056 4.556 0.001 0.000 0.351 527 H C -1.306 174.099 175.328 0.128 0.000 1.074 527 H CA -1.056 55.024 56.048 0.053 0.000 1.203 527 H CB 1.992 31.752 29.762 -0.002 0.000 1.558 527 H HN 0.344 nan 8.280 nan 0.000 0.522 528 V N 3.098 123.133 119.914 0.201 0.000 2.409 528 V HA 0.403 4.524 4.120 0.001 0.000 0.290 528 V C 0.335 176.415 176.094 -0.024 0.000 1.017 528 V CA -0.722 61.672 62.300 0.157 0.000 0.841 528 V CB 1.565 33.469 31.823 0.136 0.000 1.003 528 V HN 0.959 nan 8.190 nan 0.000 0.426 529 G N 3.804 112.551 108.800 -0.088 0.000 2.325 529 G HA2 0.551 4.511 3.960 0.001 0.000 0.298 529 G HA3 0.551 4.511 3.960 0.001 0.000 0.298 529 G C -0.753 174.102 174.900 -0.075 0.000 1.134 529 G CA -0.315 44.672 45.100 -0.189 0.000 0.876 529 G HN 0.520 nan 8.290 nan 0.000 0.452 530 V N 3.191 122.914 119.914 -0.319 0.000 2.370 530 V HA 0.360 4.480 4.120 0.001 0.000 0.283 530 V C -0.099 175.876 176.094 -0.198 0.000 1.023 530 V CA -0.612 61.467 62.300 -0.368 0.000 0.857 530 V CB 1.460 32.779 31.823 -0.840 0.000 0.985 530 V HN 0.526 nan 8.190 nan 0.000 0.443 531 V N 6.759 126.653 119.914 -0.033 0.000 2.417 531 V HA 0.521 4.642 4.120 0.001 0.000 0.291 531 V C -0.316 175.838 176.094 0.100 0.000 1.024 531 V CA -0.534 61.757 62.300 -0.015 0.000 0.861 531 V CB 1.602 33.364 31.823 -0.101 0.000 0.985 531 V HN 0.659 nan 8.190 nan 0.000 0.436 532 L N 4.030 125.370 121.223 0.195 0.000 2.316 532 L HA 0.521 4.861 4.340 0.001 0.000 0.280 532 L C -0.066 176.948 176.870 0.239 0.000 1.006 532 L CA -0.465 54.557 54.840 0.304 0.000 0.836 532 L CB 1.416 43.803 42.059 0.548 0.000 1.221 532 L HN 0.572 nan 8.230 nan 0.000 0.418 533 N N 2.225 121.015 118.700 0.150 0.000 2.868 533 N HA 0.023 4.764 4.740 0.001 0.000 0.252 533 N C 0.057 175.579 175.510 0.022 0.000 1.130 533 N CA -0.113 52.971 53.050 0.057 0.000 1.026 533 N CB 0.204 38.683 38.487 -0.013 0.000 1.335 533 N HN 0.414 nan 8.380 nan 0.000 0.516 534 N N 2.540 121.273 118.700 0.054 0.000 3.254 534 N HA 0.120 4.860 4.740 0.001 0.000 0.308 534 N C -1.009 174.377 175.510 -0.206 0.000 1.281 534 N CA 0.086 53.113 53.050 -0.038 0.000 1.212 534 N CB -0.213 38.072 38.487 -0.337 0.000 1.478 534 N HN 0.378 nan 8.380 nan 0.000 0.548 535 R N -0.892 119.332 120.500 -0.460 0.000 2.668 535 R HA 0.371 4.712 4.340 0.001 0.000 0.272 535 R C 0.174 175.895 176.300 -0.965 0.000 1.019 535 R CA -0.708 55.090 56.100 -0.503 0.000 0.894 535 R CB 1.382 31.527 30.300 -0.258 0.000 1.228 535 R HN 0.270 nan 8.270 nan 0.000 0.460 536 G N 1.450 109.870 108.800 -0.633 0.000 3.374 536 G HA2 0.073 4.034 3.960 0.001 0.000 0.252 536 G HA3 0.073 4.034 3.960 0.001 0.000 0.252 536 G C -0.053 174.711 174.900 -0.227 0.000 1.326 536 G CA 0.258 45.094 45.100 -0.440 0.000 1.133 536 G HN 0.289 nan 8.290 nan 0.000 0.528 537 E N -0.351 119.699 120.200 -0.250 0.000 2.390 537 E HA 0.240 4.591 4.350 0.001 0.000 0.277 537 E C -0.934 175.589 176.600 -0.127 0.000 0.939 537 E CA -0.840 55.477 56.400 -0.138 0.000 0.769 537 E CB 1.937 31.577 29.700 -0.099 0.000 1.251 537 E HN 0.109 nan 8.360 nan 0.000 0.450 538 K N 1.811 122.163 120.400 -0.081 0.000 2.379 538 K HA 0.137 4.458 4.320 0.001 0.000 0.284 538 K C -0.491 176.071 176.600 -0.063 0.000 1.044 538 K CA 0.350 56.598 56.287 -0.065 0.000 0.974 538 K CB 0.505 32.980 32.500 -0.042 0.000 0.962 538 K HN 0.337 nan 8.250 nan 0.000 0.474 539 Q N 1.830 121.591 119.800 -0.065 0.000 2.456 539 Q HA 0.352 4.692 4.340 0.001 0.000 0.283 539 Q C -1.221 174.741 176.000 -0.063 0.000 1.084 539 Q CA -1.091 54.676 55.803 -0.061 0.000 0.801 539 Q CB 2.536 31.235 28.738 -0.064 0.000 1.434 539 Q HN 0.497 nan 8.270 nan 0.000 0.419 540 T N 1.043 115.558 114.554 -0.064 0.000 2.841 540 T HA 0.630 4.981 4.350 0.001 0.000 0.283 540 T C -0.605 174.034 174.700 -0.101 0.000 1.000 540 T CA -0.644 61.410 62.100 -0.078 0.000 0.977 540 T CB 1.353 70.184 68.868 -0.061 0.000 0.979 540 T HN 0.468 nan 8.240 nan 0.000 0.446 541 V N 0.972 120.795 119.914 -0.152 0.000 3.078 541 V HA 0.765 4.885 4.120 0.001 0.000 0.311 541 V C -1.361 174.568 176.094 -0.275 0.000 1.138 541 V CA -1.265 60.901 62.300 -0.222 0.000 1.007 541 V CB 1.922 33.553 31.823 -0.320 0.000 1.045 541 V HN 0.790 nan 8.190 nan 0.000 0.432 542 L N 3.210 124.248 121.223 -0.308 0.000 2.316 542 L HA 0.589 4.930 4.340 0.001 0.000 0.280 542 L C -0.749 175.875 176.870 -0.409 0.000 1.006 542 L CA -0.349 54.327 54.840 -0.273 0.000 0.836 542 L CB 1.538 43.512 42.059 -0.142 0.000 1.221 542 L HN 0.541 nan 8.230 nan 0.000 0.418 543 L N 3.262 124.207 121.223 -0.463 0.000 2.322 543 L HA 0.435 4.776 4.340 0.001 0.000 0.279 543 L C -0.092 176.663 176.870 -0.192 0.000 1.036 543 L CA -0.989 53.513 54.840 -0.563 0.000 0.807 543 L CB 1.423 42.832 42.059 -1.083 0.000 1.226 543 L HN 0.481 nan 8.230 nan 0.000 0.433 544 Q N 2.799 122.587 119.800 -0.020 0.000 2.304 544 Q HA 0.281 4.622 4.340 0.001 0.000 0.260 544 Q C -0.411 175.765 176.000 0.293 0.000 0.965 544 Q CA -0.128 55.755 55.803 0.134 0.000 0.898 544 Q CB 1.698 30.526 28.738 0.150 0.000 1.196 544 Q HN 0.511 nan 8.270 nan 0.000 0.402 545 V N 0.560 120.609 119.914 0.224 0.000 2.454 545 V HA 0.391 4.511 4.120 0.001 0.000 0.267 545 V C -2.608 173.623 176.094 0.229 0.000 0.993 545 V CA -2.400 60.062 62.300 0.271 0.000 0.836 545 V CB 1.124 33.144 31.823 0.327 0.000 1.055 545 V HN 0.453 nan 8.190 nan 0.000 0.452 546 P HA 0.170 nan 4.420 nan 0.000 0.263 546 P C 1.002 178.380 177.300 0.131 0.000 1.195 546 P CA 0.344 63.517 63.100 0.121 0.000 0.762 546 P CB 0.690 32.441 31.700 0.085 0.000 0.799 547 E N 1.445 121.709 120.200 0.107 0.000 2.273 547 E HA -0.205 4.146 4.350 0.001 0.000 0.198 547 E C 1.625 178.251 176.600 0.044 0.000 1.002 547 E CA 1.510 57.955 56.400 0.075 0.000 0.828 547 E CB -0.153 29.575 29.700 0.047 0.000 0.747 547 E HN 0.549 nan 8.360 nan 0.000 0.491 548 S N -0.295 115.437 115.700 0.053 0.000 2.442 548 S HA -0.091 4.380 4.470 0.001 0.000 0.236 548 S C 1.866 176.504 174.600 0.063 0.000 1.007 548 S CA 0.918 59.144 58.200 0.043 0.000 0.965 548 S CB -0.035 63.194 63.200 0.049 0.000 0.773 548 S HN 0.287 nan 8.310 nan 0.000 0.504 549 G N 0.213 109.074 108.800 0.102 0.000 3.233 549 G HA2 0.548 4.509 3.960 0.001 0.000 0.234 549 G HA3 0.548 4.509 3.960 0.001 0.000 0.234 549 G C 0.551 175.517 174.900 0.110 0.000 1.137 549 G CA -0.060 45.154 45.100 0.190 0.000 0.763 549 G HN 1.143 nan 8.290 nan 0.000 0.549 550 G N 0.308 109.084 108.800 -0.040 0.000 2.515 550 G HA2 0.114 4.075 3.960 0.001 0.000 0.686 550 G HA3 0.114 4.075 3.960 0.001 0.000 0.686 550 G C 0.058 174.698 174.900 -0.434 0.000 1.274 550 G CA -0.101 44.811 45.100 -0.313 0.000 0.874 550 G HN 0.748 nan 8.290 nan 0.000 0.631 551 K N -1.595 118.415 120.400 -0.649 0.000 2.520 551 K HA 0.499 4.820 4.320 0.001 0.000 0.206 551 K C 0.143 176.361 176.600 -0.636 0.000 1.122 551 K CA 0.194 56.199 56.287 -0.470 0.000 1.045 551 K CB 1.186 33.622 32.500 -0.106 0.000 0.932 551 K HN 0.567 nan 8.250 nan 0.000 0.571 552 T N 0.994 114.881 114.554 -1.111 0.000 2.971 552 T HA 0.419 4.769 4.350 0.001 0.000 0.304 552 T C -1.645 172.536 174.700 -0.864 0.000 1.038 552 T CA -0.605 61.122 62.100 -0.622 0.000 1.007 552 T CB 1.240 69.952 68.868 -0.260 0.000 1.055 552 T HN 0.184 nan 8.240 nan 0.000 0.451 553 W N 2.152 123.373 121.300 -0.133 0.000 2.950 553 W HA 0.646 5.306 4.660 0.001 0.000 0.340 553 W C -1.255 175.218 176.519 -0.077 0.000 1.139 553 W CA -0.969 56.315 57.345 -0.102 0.000 1.188 553 W CB 2.129 31.574 29.460 -0.025 0.000 1.426 553 W HN 0.399 nan 8.180 nan 0.000 0.531 554 L N 2.839 124.192 121.223 0.216 0.000 2.298 554 L HA 0.290 4.631 4.340 0.001 0.000 0.284 554 L C -0.137 176.875 176.870 0.236 0.000 1.013 554 L CA 0.014 54.973 54.840 0.199 0.000 0.824 554 L CB 0.677 42.884 42.059 0.247 0.000 1.221 554 L HN 0.198 nan 8.230 nan 0.000 0.418 555 D N 3.798 124.296 120.400 0.163 0.000 2.342 555 D HA 0.018 4.658 4.640 0.001 0.000 0.260 555 D C 0.829 177.206 176.300 0.129 0.000 1.278 555 D CA 0.029 54.111 54.000 0.136 0.000 0.910 555 D CB 0.874 41.731 40.800 0.094 0.000 1.079 555 D HN 0.733 nan 8.370 nan 0.000 0.496 556 C N 3.700 123.079 119.300 0.132 0.000 2.449 556 C HA -0.023 4.438 4.460 0.001 0.000 0.283 556 C C 2.485 177.511 174.990 0.061 0.000 1.453 556 C CA 0.009 59.081 59.018 0.089 0.000 1.779 556 C CB -1.022 26.747 27.740 0.048 0.000 1.779 556 C HN 0.676 nan 8.230 nan 0.000 0.546 557 L N 0.488 121.756 121.223 0.075 0.000 2.375 557 L HA 0.014 4.355 4.340 0.001 0.000 0.215 557 L C 2.477 179.397 176.870 0.083 0.000 1.108 557 L CA 1.655 56.545 54.840 0.083 0.000 0.830 557 L CB -0.285 41.842 42.059 0.114 0.000 0.959 557 L HN 0.519 nan 8.230 nan 0.000 0.457 558 T N -6.342 108.258 114.554 0.077 0.000 2.969 558 T HA 0.292 4.643 4.350 0.001 0.000 0.258 558 T C 1.382 176.121 174.700 0.065 0.000 0.962 558 T CA 0.563 62.704 62.100 0.068 0.000 0.903 558 T CB 1.152 70.058 68.868 0.063 0.000 1.177 558 T HN 0.251 nan 8.240 nan 0.000 0.511 559 G N 1.611 110.455 108.800 0.074 0.000 2.195 559 G HA2 -0.257 3.704 3.960 0.001 0.000 0.246 559 G HA3 -0.257 3.704 3.960 0.001 0.000 0.246 559 G C -0.123 174.820 174.900 0.072 0.000 0.984 559 G CA 0.240 45.385 45.100 0.075 0.000 0.633 559 G HN 0.896 nan 8.290 nan 0.000 0.525 560 E N 0.936 121.175 120.200 0.066 0.000 2.392 560 E HA 0.366 4.716 4.350 0.001 0.000 0.264 560 E C -0.042 176.585 176.600 0.046 0.000 1.024 560 E CA -0.107 56.325 56.400 0.054 0.000 0.903 560 E CB 0.342 30.071 29.700 0.048 0.000 0.963 560 E HN 0.436 nan 8.360 nan 0.000 0.432 561 E N 3.232 123.443 120.200 0.018 0.000 2.175 561 E HA 0.309 4.660 4.350 0.001 0.000 0.278 561 E C -1.009 175.469 176.600 -0.202 0.000 0.969 561 E CA -0.868 55.492 56.400 -0.066 0.000 0.796 561 E CB 1.403 31.080 29.700 -0.038 0.000 1.104 561 E HN 0.380 nan 8.360 nan 0.000 0.395 562 V N 1.644 121.418 119.914 -0.233 0.000 2.815 562 V HA 0.603 4.724 4.120 0.001 0.000 0.314 562 V C -0.790 175.121 176.094 -0.306 0.000 1.064 562 V CA -0.727 61.460 62.300 -0.189 0.000 0.952 562 V CB 1.836 33.681 31.823 0.036 0.000 1.020 562 V HN 0.673 nan 8.190 nan 0.000 0.439 563 H N 1.868 121.080 119.070 0.237 0.000 2.637 563 H HA 0.672 5.229 4.556 0.001 0.000 0.363 563 H C 0.103 175.606 175.328 0.292 0.000 1.131 563 H CA -0.056 56.141 56.048 0.248 0.000 1.183 563 H CB 2.383 32.213 29.762 0.113 0.000 1.637 563 H HN 1.117 nan 8.280 nan 0.000 0.531 564 G N 1.307 110.419 108.800 0.519 0.000 2.389 564 G HA2 0.423 4.384 3.960 0.001 0.000 0.317 564 G HA3 0.423 4.384 3.960 0.001 0.000 0.317 564 G C -0.509 174.531 174.900 0.233 0.000 1.137 564 G CA -0.688 44.649 45.100 0.396 0.000 0.870 564 G HN 0.391 nan 8.290 nan 0.000 0.496 565 K N 1.522 122.016 120.400 0.157 0.000 2.413 565 K HA 0.249 4.570 4.320 0.001 0.000 0.257 565 K C -0.304 176.346 176.600 0.084 0.000 0.946 565 K CA -0.484 55.864 56.287 0.102 0.000 0.823 565 K CB 1.928 34.472 32.500 0.073 0.000 1.109 565 K HN 0.716 nan 8.250 nan 0.000 0.427 566 Q N 0.691 120.536 119.800 0.074 0.000 2.451 566 Q HA -0.241 4.099 4.340 0.001 0.000 0.305 566 Q C 0.483 176.528 176.000 0.075 0.000 1.345 566 Q CA 0.737 56.577 55.803 0.062 0.000 0.854 566 Q CB -1.711 27.054 28.738 0.045 0.000 1.162 566 Q HN 1.221 nan 8.270 nan 0.000 0.440 567 G N -0.669 108.194 108.800 0.104 0.000 2.143 567 G HA2 -0.330 3.630 3.960 0.001 0.000 0.248 567 G HA3 -0.330 3.630 3.960 0.001 0.000 0.248 567 G C -0.110 174.859 174.900 0.116 0.000 0.991 567 G CA 0.664 45.835 45.100 0.119 0.000 0.689 567 G HN 0.408 nan 8.290 nan 0.000 0.522 568 Q N -1.346 118.517 119.800 0.106 0.000 2.389 568 Q HA 0.717 5.057 4.340 0.001 0.000 0.277 568 Q C -1.349 174.685 176.000 0.056 0.000 1.082 568 Q CA -1.033 54.806 55.803 0.061 0.000 0.810 568 Q CB 2.539 31.293 28.738 0.026 0.000 1.374 568 Q HN 0.340 nan 8.270 nan 0.000 0.422 569 L N 1.977 123.183 121.223 -0.028 0.000 2.372 569 L HA 0.460 4.801 4.340 0.001 0.000 0.274 569 L C -1.310 175.480 176.870 -0.134 0.000 0.988 569 L CA -0.185 54.613 54.840 -0.069 0.000 0.833 569 L CB 1.491 43.430 42.059 -0.199 0.000 1.236 569 L HN 0.430 nan 8.230 nan 0.000 0.410 570 K N 4.653 125.008 120.400 -0.075 0.000 2.234 570 K HA 0.616 4.936 4.320 0.001 0.000 0.277 570 K C -1.589 174.953 176.600 -0.097 0.000 1.038 570 K CA -0.590 55.641 56.287 -0.094 0.000 0.888 570 K CB 0.768 33.241 32.500 -0.046 0.000 1.091 570 K HN 0.522 nan 8.250 nan 0.000 0.467 571 L N 2.816 123.955 121.223 -0.141 0.000 2.381 571 L HA 0.424 4.765 4.340 0.001 0.000 0.268 571 L C -0.508 176.302 176.870 -0.101 0.000 0.997 571 L CA -0.370 54.397 54.840 -0.123 0.000 0.818 571 L CB 2.220 44.172 42.059 -0.178 0.000 1.310 571 L HN 0.579 nan 8.230 nan 0.000 0.416 572 T N 4.213 118.728 114.554 -0.066 0.000 2.815 572 T HA 0.635 4.986 4.350 0.001 0.000 0.289 572 T C -0.670 174.004 174.700 -0.043 0.000 1.000 572 T CA -0.433 61.635 62.100 -0.053 0.000 0.958 572 T CB 0.775 69.623 68.868 -0.035 0.000 0.944 572 T HN 0.129 nan 8.240 nan 0.000 0.442 573 L N 3.350 124.545 121.223 -0.048 0.000 2.329 573 L HA 0.559 4.900 4.340 0.001 0.000 0.279 573 L C 0.820 177.670 176.870 -0.034 0.000 1.014 573 L CA -0.747 54.073 54.840 -0.033 0.000 0.814 573 L CB 1.649 43.688 42.059 -0.033 0.000 1.257 573 L HN 0.501 nan 8.230 nan 0.000 0.424 574 R N 2.644 123.134 120.500 -0.018 0.000 2.649 574 R HA 0.263 4.604 4.340 0.001 0.000 0.270 574 R C -2.123 174.154 176.300 -0.039 0.000 1.105 574 R CA -1.474 54.614 56.100 -0.020 0.000 1.193 574 R CB 0.050 30.351 30.300 0.001 0.000 1.120 574 R HN 0.405 nan 8.270 nan 0.000 0.561 575 P HA -0.142 nan 4.420 nan 0.000 0.262 575 P C -0.846 176.430 177.300 -0.039 0.000 1.182 575 P CA 0.761 63.767 63.100 -0.156 0.000 0.761 575 P CB 0.069 31.700 31.700 -0.116 0.000 0.795 576 Y N -1.530 118.776 120.300 0.009 0.000 4.324 576 Y HA -0.267 4.284 4.550 0.001 0.000 0.224 576 Y C 1.067 176.988 175.900 0.035 0.000 1.113 576 Y CA 0.649 58.765 58.100 0.026 0.000 1.887 576 Y CB -2.025 36.443 38.460 0.014 0.000 1.602 576 Y HN 0.458 nan 8.280 nan 0.000 0.654 577 Q N 1.081 120.948 119.800 0.112 0.000 2.259 577 Q HA 0.583 4.924 4.340 0.001 0.000 0.246 577 Q C 0.475 176.544 176.000 0.115 0.000 0.920 577 Q CA 0.153 56.012 55.803 0.094 0.000 0.895 577 Q CB 1.431 30.199 28.738 0.050 0.000 1.220 577 Q HN 0.358 nan 8.270 nan 0.000 0.439 578 G N 2.872 111.750 108.800 0.131 0.000 2.524 578 G HA2 0.660 4.621 3.960 0.001 0.000 0.310 578 G HA3 0.660 4.621 3.960 0.001 0.000 0.310 578 G C -1.150 173.818 174.900 0.113 0.000 1.279 578 G CA -0.728 44.461 45.100 0.148 0.000 0.974 578 G HN 0.612 nan 8.290 nan 0.000 0.484 579 M N 1.162 120.813 119.600 0.085 0.000 2.464 579 M HA 0.464 4.945 4.480 0.001 0.000 0.308 579 M C -0.930 175.405 176.300 0.058 0.000 1.127 579 M CA -0.502 54.837 55.300 0.066 0.000 0.913 579 M CB 2.992 35.613 32.600 0.036 0.000 1.689 579 M HN 0.231 nan 8.290 nan 0.000 0.445 580 I N 4.264 124.875 120.570 0.068 0.000 2.460 580 I HA 0.229 4.400 4.170 0.001 0.000 0.277 580 I C -1.129 175.058 176.117 0.116 0.000 1.057 580 I CA -0.744 60.592 61.300 0.060 0.000 1.179 580 I CB 0.739 38.765 38.000 0.044 0.000 1.329 580 I HN 0.380 nan 8.210 nan 0.000 0.478 581 L N 5.462 126.759 121.223 0.124 0.000 2.295 581 L HA 0.192 4.533 4.340 0.001 0.000 0.288 581 L C -0.430 176.646 176.870 0.343 0.000 1.079 581 L CA -0.121 54.844 54.840 0.210 0.000 0.830 581 L CB -0.117 42.000 42.059 0.098 0.000 1.200 581 L HN 0.480 nan 8.230 nan 0.000 0.438 582 W N 5.213 126.622 121.300 0.182 0.000 2.351 582 W HA 0.270 4.931 4.660 0.001 0.000 0.311 582 W C 1.176 177.815 176.519 0.200 0.000 1.168 582 W CA -0.887 56.550 57.345 0.155 0.000 1.200 582 W CB 0.750 30.252 29.460 0.069 0.000 1.221 582 W HN 0.704 nan 8.180 nan 0.000 0.519 583 N N 3.957 122.531 118.700 -0.210 0.000 2.362 583 N HA 0.067 4.807 4.740 0.001 0.000 0.204 583 N C 1.196 176.115 175.510 -0.984 0.000 1.166 583 N CA 0.603 53.330 53.050 -0.539 0.000 0.831 583 N CB -0.305 38.037 38.487 -0.241 0.000 1.008 583 N HN 0.950 nan 8.380 nan 0.000 0.472 584 G N -0.006 107.605 108.800 -1.983 0.000 2.175 584 G HA2 -0.335 3.626 3.960 0.001 0.000 0.265 584 G HA3 -0.335 3.626 3.960 0.001 0.000 0.265 584 G C 0.118 174.405 174.900 -1.023 0.000 0.979 584 G CA 0.521 44.372 45.100 -2.082 0.000 0.663 584 G HN 0.546 nan 8.290 nan 0.000 0.533 585 R N 0.000 120.144 120.500 -0.593 0.000 2.786 585 R HA 0.000 4.341 4.340 0.001 0.000 0.208 585 R CA 0.000 56.042 56.100 -0.097 0.000 0.921 585 R CB 0.000 30.194 30.300 -0.176 0.000 0.687 585 R HN 0.000 nan 8.270 nan 0.000 0.535