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 1kk7_1_A DATA FIRST_RESID 5 DATA SEQUENCE FSDPDFQYLA VDRKKLMKXX XAAFDGKKNC WVPDEKEGFA SAEIQSSKGD DATA SEQUENCE EITVKIVADS STRTVKKDDI QSMNPPKFEK LEDMANMTYL NEASVLYNLR DATA SEQUENCE SRYTSGLIYT YSGLFCIAVN PYRRLPIYTD SVIAKYRGKR KTEIPPHLFS DATA SEQUENCE VADNAYQNMV TDRENQSCLI TGESGAGKTE NTKKVIMYLA KVACAVKKKX DATA SEQUENCE EEASDKXXGS LEDQIIQANP VLEAYGNAKT TRNNNSSRFG KFIRIHFGPT DATA SEQUENCE GKIAGADIET YLLEKSRVTY QQSAERNYHI FYQICSNAIP ELNDVMLVTP DATA SEQUENCE DSGLYSFINQ GCLTVDNIDD VEEFKLCDEA FDILGFTKEE KQSMFKCTAS DATA SEQUENCE ILHMGEMKFK XXPREEQAES DGTAEAEKVA FLCGINAGDL LKALLKPKVK DATA SEQUENCE VXXEMVTKGQ NMNQVVNSVG ALAKSLYDRM FNWLVRRVNK TLDTKAXRNY DATA SEQUENCE YIGVLDIAGF EIFDFNSFEQ LCINYTNERL QQFFNHHMFI LEQEEYKKEG DATA SEQUENCE IAWEFIDFGM DLQMCIDLIE KPMGILSILE EECMFPKADD KSFQDKLYQN DATA SEQUENCE HMGKNRMFTK PGKPTRPNQG PAHFELHHYA GNVPYSITGW LEKNKDPINE DATA SEQUENCE NVVALLGASK EPLVAELFKA PEEXXXXXXX XXXXXXXXQT ISAVHRESLN DATA SEQUENCE KLMKNLYSTH PHFVRCIIPN ELKQPGLVDA ELVLHQLQCN GVLEGIRICR DATA SEQUENCE KGFPSRLIYS EFKQRYSILA PNAIPXXXXD GKTVSEKILA GLQMDPAEYR DATA SEQUENCE LGTTKVFFKA GVLGNLEEMR DERLSKIISM FQAHIRGYLI RKAYKKLQDQ DATA SEQUENCE RIGLSVIQRN IRKWLVLRNW QWWKLYSKVK PLL 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 5 F HA 0.000 nan 4.527 nan 0.000 0.279 5 F C 0.000 175.857 175.800 0.094 0.000 0.967 5 F CA 0.000 58.039 58.000 0.065 0.000 1.383 5 F CB 0.000 39.037 39.000 0.061 0.000 1.145 6 S N 1.175 116.922 115.700 0.079 0.000 2.567 6 S HA 0.524 4.993 4.470 -0.002 0.000 0.262 6 S C -0.751 173.896 174.600 0.079 0.000 1.237 6 S CA 0.004 58.257 58.200 0.088 0.000 1.093 6 S CB -0.111 63.125 63.200 0.059 0.000 1.095 6 S HN 0.731 nan 8.310 nan 0.000 0.489 7 D N 3.732 124.194 120.400 0.104 0.000 2.485 7 D HA 0.309 4.948 4.640 -0.002 0.000 0.229 7 D C -2.412 173.880 176.300 -0.013 0.000 1.101 7 D CA -1.740 52.270 54.000 0.016 0.000 0.906 7 D CB 1.275 42.047 40.800 -0.047 0.000 1.019 7 D HN 0.075 nan 8.370 nan 0.000 0.516 8 P HA -0.008 nan 4.420 nan 0.000 0.261 8 P C -0.446 176.844 177.300 -0.016 0.000 1.463 8 P CA 0.524 63.643 63.100 0.032 0.000 0.834 8 P CB 0.040 31.762 31.700 0.036 0.000 1.715 9 D N -2.308 118.014 120.400 -0.130 0.000 2.503 9 D HA 0.165 4.804 4.640 -0.002 0.000 0.218 9 D C 0.485 176.640 176.300 -0.240 0.000 1.183 9 D CA 0.128 53.993 54.000 -0.225 0.000 0.827 9 D CB 0.112 40.690 40.800 -0.370 0.000 1.034 9 D HN 0.104 nan 8.370 nan 0.000 0.510 10 F N 0.347 120.353 119.950 0.093 0.000 2.728 10 F HA 0.243 4.771 4.527 0.001 0.000 0.314 10 F C 2.068 177.937 175.800 0.114 0.000 1.094 10 F CA -0.257 57.805 58.000 0.104 0.000 1.217 10 F CB 0.003 39.047 39.000 0.073 0.000 1.056 10 F HN -0.122 nan 8.300 nan 0.000 0.577 11 Q N 0.238 120.208 119.800 0.283 0.000 2.045 11 Q HA -0.297 4.042 4.340 -0.002 0.000 0.215 11 Q C 0.967 177.105 176.000 0.231 0.000 1.026 11 Q CA 2.481 58.435 55.803 0.252 0.000 0.885 11 Q CB -0.397 28.535 28.738 0.323 0.000 0.984 11 Q HN 0.433 nan 8.270 nan 0.000 0.414 12 Y N -0.892 119.451 120.300 0.072 0.000 2.470 12 Y HA 0.099 4.652 4.550 0.005 0.000 0.302 12 Y C 0.733 176.676 175.900 0.072 0.000 1.194 12 Y CA -0.003 58.126 58.100 0.048 0.000 1.271 12 Y CB 0.496 38.963 38.460 0.012 0.000 1.092 12 Y HN 0.182 nan 8.280 nan 0.000 0.513 13 L N -1.649 119.720 121.223 0.244 0.000 2.862 13 L HA 0.455 4.793 4.340 -0.002 0.000 0.169 13 L C 1.578 178.516 176.870 0.114 0.000 1.164 13 L CA 0.520 55.494 54.840 0.223 0.000 0.858 13 L CB -1.152 41.143 42.059 0.393 0.000 1.329 13 L HN -0.036 nan 8.230 nan 0.000 0.514 14 A N -0.453 122.426 122.820 0.100 0.000 2.261 14 A HA 0.498 4.817 4.320 -0.002 0.000 0.275 14 A C -0.581 176.994 177.584 -0.015 0.000 1.246 14 A CA 0.071 52.085 52.037 -0.038 0.000 0.810 14 A CB 0.209 19.146 19.000 -0.105 0.000 1.168 14 A HN 0.070 nan 8.150 nan 0.000 0.506 15 V N 1.381 121.272 119.914 -0.038 0.000 2.719 15 V HA 0.158 4.277 4.120 -0.002 0.000 0.289 15 V C -1.478 174.596 176.094 -0.033 0.000 1.167 15 V CA -0.793 61.488 62.300 -0.032 0.000 0.929 15 V CB 1.665 33.467 31.823 -0.036 0.000 1.050 15 V HN 1.061 nan 8.190 nan 0.000 0.448 16 D N 4.150 124.537 120.400 -0.021 0.000 2.648 16 D HA -0.010 4.629 4.640 -0.002 0.000 0.229 16 D C 1.081 177.365 176.300 -0.026 0.000 1.119 16 D CA 0.764 54.753 54.000 -0.018 0.000 0.850 16 D CB 0.938 41.733 40.800 -0.010 0.000 1.169 16 D HN 0.652 nan 8.370 nan 0.000 0.489 17 R N 3.332 123.814 120.500 -0.030 0.000 2.057 17 R HA -0.113 4.226 4.340 -0.002 0.000 0.224 17 R C 2.135 178.417 176.300 -0.031 0.000 1.136 17 R CA 1.443 57.522 56.100 -0.035 0.000 0.968 17 R CB -0.904 29.372 30.300 -0.040 0.000 0.863 17 R HN 0.562 nan 8.270 nan 0.000 0.433 18 K N 0.739 121.124 120.400 -0.024 0.000 1.973 18 K HA -0.114 4.205 4.320 -0.002 0.000 0.210 18 K C 2.477 179.067 176.600 -0.017 0.000 1.045 18 K CA 2.532 58.806 56.287 -0.021 0.000 0.937 18 K CB -0.732 31.759 32.500 -0.015 0.000 0.721 18 K HN 0.351 nan 8.250 nan 0.000 0.438 19 K N 0.634 121.027 120.400 -0.013 0.000 2.520 19 K HA -0.048 4.270 4.320 -0.002 0.000 0.197 19 K C 2.313 178.906 176.600 -0.012 0.000 1.044 19 K CA 1.751 58.032 56.287 -0.010 0.000 0.938 19 K CB -1.509 30.987 32.500 -0.007 0.000 0.767 19 K HN 0.327 nan 8.250 nan 0.000 0.481 20 L N -1.944 119.269 121.223 -0.016 0.000 2.221 20 L HA 0.483 4.822 4.340 -0.002 0.000 0.202 20 L C 3.166 180.026 176.870 -0.017 0.000 1.074 20 L CA 1.906 56.736 54.840 -0.016 0.000 0.795 20 L CB -1.635 40.411 42.059 -0.022 0.000 0.960 20 L HN 0.669 nan 8.230 nan 0.000 0.458 21 M N 0.738 120.323 119.600 -0.024 0.000 2.159 21 M HA 0.234 4.713 4.480 -0.002 0.000 0.263 21 M C 2.012 178.302 176.300 -0.017 0.000 1.063 21 M CA 2.209 57.493 55.300 -0.028 0.000 1.110 21 M CB -2.166 30.413 32.600 -0.035 0.000 1.374 21 M HN 0.963 nan 8.290 nan 0.000 0.411 27 A N -0.314 122.560 122.820 0.089 0.000 2.328 27 A HA 0.683 5.002 4.320 -0.002 0.000 0.284 27 A C -0.956 176.734 177.584 0.177 0.000 1.160 27 A CA -0.009 52.087 52.037 0.099 0.000 0.818 27 A CB -0.195 18.835 19.000 0.050 0.000 1.087 27 A HN 1.725 nan 8.150 nan 0.000 0.504 28 F N 2.074 122.024 119.950 -0.001 0.000 2.536 28 F HA 0.363 4.889 4.527 -0.002 0.000 0.322 28 F C -0.861 174.940 175.800 0.001 0.000 1.144 28 F CA -0.773 57.226 58.000 -0.001 0.000 0.924 28 F CB 1.870 40.883 39.000 0.022 0.000 1.181 28 F HN 0.539 nan 8.300 nan 0.000 0.438 29 D N 4.000 124.056 120.400 -0.573 0.000 2.412 29 D HA 0.257 4.895 4.640 -0.002 0.000 0.224 29 D C 0.985 176.898 176.300 -0.645 0.000 1.093 29 D CA 0.191 53.935 54.000 -0.427 0.000 0.850 29 D CB 1.942 42.569 40.800 -0.288 0.000 1.046 29 D HN 0.871 nan 8.370 nan 0.000 0.507 30 G N 3.007 111.613 108.800 -0.323 0.000 2.408 30 G HA2 -0.236 3.722 3.960 -0.002 0.000 0.217 30 G HA3 -0.236 3.722 3.960 -0.002 0.000 0.217 30 G C 1.330 176.128 174.900 -0.170 0.000 1.150 30 G CA 0.476 45.475 45.100 -0.168 0.000 0.776 30 G HN 0.417 nan 8.290 nan 0.000 0.542 31 K N 0.305 120.623 120.400 -0.136 0.000 2.504 31 K HA 0.162 4.480 4.320 -0.002 0.000 0.195 31 K C 2.442 178.956 176.600 -0.143 0.000 1.036 31 K CA 1.146 57.370 56.287 -0.106 0.000 0.984 31 K CB 0.090 32.549 32.500 -0.069 0.000 0.788 31 K HN 0.414 nan 8.250 nan 0.000 0.488 32 K N 0.984 121.252 120.400 -0.220 0.000 2.410 32 K HA 0.104 4.422 4.320 -0.002 0.000 0.204 32 K C 0.410 176.846 176.600 -0.273 0.000 1.268 32 K CA 0.102 56.259 56.287 -0.217 0.000 0.896 32 K CB -0.469 31.910 32.500 -0.201 0.000 1.401 32 K HN 0.178 nan 8.250 nan 0.000 0.479 33 N N 0.980 119.425 118.700 -0.426 0.000 2.475 33 N HA 0.372 5.110 4.740 -0.002 0.000 0.267 33 N C 0.038 175.339 175.510 -0.349 0.000 1.169 33 N CA 0.024 52.807 53.050 -0.444 0.000 0.947 33 N CB 0.643 38.715 38.487 -0.691 0.000 1.061 33 N HN 0.767 nan 8.380 nan 0.000 0.466 34 C N 0.539 119.627 119.300 -0.352 0.000 3.258 34 C HA 0.648 5.107 4.460 -0.002 0.000 0.376 34 C C -1.860 172.851 174.990 -0.465 0.000 1.869 34 C CA -1.286 57.555 59.018 -0.295 0.000 1.189 34 C CB 0.349 28.005 27.740 -0.139 0.000 2.230 34 C HN 0.769 nan 8.230 nan 0.000 0.432 35 W N 0.730 122.017 121.300 -0.022 0.000 2.785 35 W HA 0.658 5.317 4.660 -0.002 0.000 0.333 35 W C -0.453 176.158 176.519 0.153 0.000 1.062 35 W CA -0.622 56.752 57.345 0.050 0.000 1.233 35 W CB 2.084 31.518 29.460 -0.042 0.000 1.413 35 W HN 0.782 nan 8.180 nan 0.000 0.489 36 V N 1.433 121.601 119.914 0.422 0.000 2.487 36 V HA 0.647 4.766 4.120 -0.002 0.000 0.298 36 V C -2.648 173.602 176.094 0.260 0.000 1.028 36 V CA -3.407 59.066 62.300 0.288 0.000 0.860 36 V CB 1.466 33.368 31.823 0.132 0.000 0.991 36 V HN 0.290 nan 8.190 nan 0.000 0.427 37 P HA 0.102 nan 4.420 nan 0.000 0.264 37 P C -0.816 176.415 177.300 -0.116 0.000 1.179 37 P CA 0.711 63.681 63.100 -0.217 0.000 0.763 37 P CB 0.310 31.906 31.700 -0.173 0.000 0.806 38 D N 1.840 122.132 120.400 -0.179 0.000 2.787 38 D HA 0.044 4.683 4.640 -0.002 0.000 0.246 38 D C 0.897 177.152 176.300 -0.075 0.000 1.150 38 D CA -0.375 53.587 54.000 -0.062 0.000 0.864 38 D CB 1.487 42.297 40.800 0.018 0.000 1.481 38 D HN 0.313 nan 8.370 nan 0.000 0.509 39 E N 1.697 121.874 120.200 -0.039 0.000 2.208 39 E HA -0.105 4.244 4.350 -0.002 0.000 0.193 39 E C 0.881 177.471 176.600 -0.017 0.000 0.988 39 E CA 0.683 57.064 56.400 -0.031 0.000 0.828 39 E CB -0.169 29.521 29.700 -0.017 0.000 0.763 39 E HN 0.431 nan 8.360 nan 0.000 0.478 40 K N 1.084 121.483 120.400 -0.002 0.000 2.934 40 K HA 0.262 4.581 4.320 -0.002 0.000 0.210 40 K C 0.568 177.184 176.600 0.028 0.000 1.122 40 K CA -0.224 56.069 56.287 0.010 0.000 1.033 40 K CB 0.231 32.739 32.500 0.013 0.000 0.779 40 K HN -0.015 nan 8.250 nan 0.000 0.459 41 E N -1.650 118.568 120.200 0.030 0.000 2.422 41 E HA 0.070 4.419 4.350 -0.002 0.000 0.146 41 E C 1.085 177.728 176.600 0.072 0.000 0.861 41 E CA 0.757 57.199 56.400 0.069 0.000 1.354 41 E CB 0.406 30.167 29.700 0.101 0.000 1.294 41 E HN 0.658 nan 8.360 nan 0.000 0.586 42 G N 1.328 110.118 108.800 -0.016 0.000 3.639 42 G HA2 -0.357 3.601 3.960 -0.002 0.000 0.224 42 G HA3 -0.357 3.601 3.960 -0.002 0.000 0.224 42 G C 0.261 174.930 174.900 -0.384 0.000 1.339 42 G CA 1.294 46.308 45.100 -0.143 0.000 0.933 42 G HN 0.183 nan 8.290 nan 0.000 0.568 43 F N 0.384 120.397 119.950 0.106 0.000 2.675 43 F HA 0.813 5.339 4.527 -0.003 0.000 0.324 43 F C 0.290 176.270 175.800 0.300 0.000 1.106 43 F CA -0.131 57.982 58.000 0.189 0.000 0.970 43 F CB 2.177 41.249 39.000 0.119 0.000 1.385 43 F HN 0.821 nan 8.300 nan 0.000 0.489 44 A N 0.644 123.868 122.820 0.673 0.000 2.566 44 A HA 0.583 4.901 4.320 -0.002 0.000 0.297 44 A C -1.152 176.539 177.584 0.177 0.000 1.059 44 A CA -0.618 51.664 52.037 0.408 0.000 0.691 44 A CB 1.456 20.577 19.000 0.202 0.000 1.282 44 A HN 0.601 nan 8.150 nan 0.000 0.401 45 S N 0.181 115.805 115.700 -0.127 0.000 2.592 45 S HA 0.770 5.239 4.470 -0.002 0.000 0.271 45 S C 0.237 174.679 174.600 -0.264 0.000 1.326 45 S CA 0.601 58.487 58.200 -0.524 0.000 1.024 45 S CB 0.723 63.632 63.200 -0.484 0.000 0.921 45 S HN 2.346 nan 8.310 nan 0.000 0.527 46 A N 3.298 125.936 122.820 -0.305 0.000 2.564 46 A HA 0.688 5.007 4.320 -0.002 0.000 0.291 46 A C -1.824 175.643 177.584 -0.196 0.000 1.102 46 A CA -0.883 51.044 52.037 -0.182 0.000 0.660 46 A CB 0.965 19.898 19.000 -0.112 0.000 1.283 46 A HN 0.754 nan 8.150 nan 0.000 0.430 47 E N 0.284 120.400 120.200 -0.141 0.000 2.224 47 E HA 0.483 4.832 4.350 -0.002 0.000 0.265 47 E C -1.175 175.361 176.600 -0.107 0.000 0.878 47 E CA -0.500 55.815 56.400 -0.140 0.000 0.759 47 E CB 2.581 32.211 29.700 -0.118 0.000 1.164 47 E HN 0.531 nan 8.360 nan 0.000 0.414 48 I N 2.730 123.233 120.570 -0.112 0.000 2.556 48 I HA -0.044 4.124 4.170 -0.002 0.000 0.284 48 I C 1.208 177.286 176.117 -0.066 0.000 1.114 48 I CA 0.791 62.042 61.300 -0.082 0.000 1.418 48 I CB 0.995 38.944 38.000 -0.084 0.000 1.394 48 I HN 0.805 nan 8.210 nan 0.000 0.552 49 Q N 4.515 124.286 119.800 -0.048 0.000 2.606 49 Q HA 0.237 4.575 4.340 -0.002 0.000 0.215 49 Q C 0.896 176.878 176.000 -0.031 0.000 0.908 49 Q CA 0.800 56.580 55.803 -0.039 0.000 0.908 49 Q CB 0.587 29.305 28.738 -0.032 0.000 1.120 49 Q HN 0.676 nan 8.270 nan 0.000 0.628 50 S N -1.094 114.591 115.700 -0.025 0.000 2.776 50 S HA 0.671 5.140 4.470 -0.002 0.000 0.292 50 S C -1.586 173.004 174.600 -0.016 0.000 1.187 50 S CA 0.143 58.332 58.200 -0.019 0.000 0.834 50 S CB 1.860 65.051 63.200 -0.015 0.000 1.199 50 S HN 1.077 nan 8.310 nan 0.000 0.514 51 S N 1.934 117.627 115.700 -0.011 0.000 2.750 51 S HA 0.479 4.947 4.470 -0.002 0.000 0.276 51 S C -1.236 173.361 174.600 -0.004 0.000 1.165 51 S CA -0.941 57.255 58.200 -0.008 0.000 1.047 51 S CB 1.307 64.503 63.200 -0.008 0.000 1.056 51 S HN 0.519 nan 8.310 nan 0.000 0.481 52 K N 2.270 122.669 120.400 -0.003 0.000 3.141 52 K HA 0.322 4.641 4.320 -0.002 0.000 0.248 52 K C 0.816 177.417 176.600 0.001 0.000 1.282 52 K CA 0.113 56.400 56.287 -0.001 0.000 1.251 52 K CB 0.039 32.539 32.500 -0.001 0.000 1.533 52 K HN 1.229 nan 8.250 nan 0.000 0.409 53 G N 1.095 109.896 108.800 0.002 0.000 2.912 53 G HA2 -0.242 3.716 3.960 -0.002 0.000 0.246 53 G HA3 -0.242 3.716 3.960 -0.002 0.000 0.246 53 G C 0.497 175.401 174.900 0.006 0.000 0.352 53 G CA 0.988 46.090 45.100 0.004 0.000 1.051 53 G HN 0.719 nan 8.290 nan 0.000 0.501 54 D N 0.279 120.683 120.400 0.007 0.000 3.077 54 D HA -0.161 4.478 4.640 -0.002 0.000 0.217 54 D C 0.498 176.804 176.300 0.010 0.000 1.162 54 D CA 2.631 56.637 54.000 0.010 0.000 0.943 54 D CB -1.513 39.294 40.800 0.011 0.000 1.122 54 D HN 1.991 nan 8.370 nan 0.000 0.413 55 E N -0.382 119.822 120.200 0.007 0.000 2.466 55 E HA 0.465 4.814 4.350 -0.002 0.000 0.308 55 E C -0.335 176.267 176.600 0.003 0.000 0.933 55 E CA -0.798 55.606 56.400 0.007 0.000 0.800 55 E CB 0.696 30.400 29.700 0.006 0.000 1.434 55 E HN 0.330 nan 8.360 nan 0.000 0.389 56 I N 1.626 122.198 120.570 0.003 0.000 3.640 56 I HA 0.465 4.633 4.170 -0.002 0.000 0.288 56 I C 0.892 177.006 176.117 -0.004 0.000 1.248 56 I CA -0.448 60.850 61.300 -0.003 0.000 0.911 56 I CB 1.045 39.041 38.000 -0.006 0.000 1.533 56 I HN 0.658 nan 8.210 nan 0.000 0.686 57 T N 1.105 115.653 114.554 -0.010 0.000 2.982 57 T HA 0.700 5.049 4.350 -0.002 0.000 0.321 57 T C -0.966 173.722 174.700 -0.020 0.000 1.229 57 T CA -0.490 61.603 62.100 -0.011 0.000 1.044 57 T CB 1.222 70.082 68.868 -0.012 0.000 1.184 57 T HN 0.718 nan 8.240 nan 0.000 0.477 58 V N -0.010 119.892 119.914 -0.021 0.000 3.232 58 V HA 0.766 4.885 4.120 -0.002 0.000 0.303 58 V C -1.101 174.974 176.094 -0.031 0.000 1.311 58 V CA -1.386 60.895 62.300 -0.033 0.000 1.061 58 V CB 1.804 33.604 31.823 -0.039 0.000 1.085 58 V HN 1.079 nan 8.190 nan 0.000 0.447 59 K N 1.373 121.747 120.400 -0.043 0.000 2.156 59 K HA 0.666 4.984 4.320 -0.002 0.000 0.254 59 K C -1.196 175.377 176.600 -0.045 0.000 0.950 59 K CA -0.892 55.372 56.287 -0.038 0.000 0.849 59 K CB 1.821 34.296 32.500 -0.042 0.000 1.100 59 K HN 0.576 nan 8.250 nan 0.000 0.434 60 I N 4.119 124.671 120.570 -0.030 0.000 2.291 60 I HA 0.004 4.172 4.170 -0.002 0.000 0.290 60 I C 1.564 177.664 176.117 -0.028 0.000 1.050 60 I CA -0.038 61.247 61.300 -0.025 0.000 1.245 60 I CB 0.612 38.611 38.000 -0.003 0.000 1.405 60 I HN 0.494 nan 8.210 nan 0.000 0.478 61 V N 6.127 126.013 119.914 -0.048 0.000 2.317 61 V HA -0.354 3.765 4.120 -0.002 0.000 0.251 61 V C 2.403 178.490 176.094 -0.012 0.000 1.065 61 V CA 2.344 64.620 62.300 -0.039 0.000 1.049 61 V CB -0.808 30.980 31.823 -0.059 0.000 0.651 61 V HN 0.904 nan 8.190 nan 0.000 0.450 62 A N 1.871 124.692 122.820 0.001 0.000 1.952 62 A HA -0.282 4.036 4.320 -0.002 0.000 0.206 62 A C 1.811 179.403 177.584 0.014 0.000 1.213 62 A CA 2.108 54.157 52.037 0.020 0.000 0.690 62 A CB -1.145 17.877 19.000 0.036 0.000 0.854 62 A HN 0.715 nan 8.150 nan 0.000 0.485 63 D N -1.051 119.358 120.400 0.015 0.000 2.352 63 D HA 0.162 4.800 4.640 -0.002 0.000 0.232 63 D C 0.414 176.716 176.300 0.004 0.000 1.055 63 D CA 0.845 54.851 54.000 0.011 0.000 0.891 63 D CB -0.457 40.350 40.800 0.013 0.000 0.897 63 D HN 0.304 nan 8.370 nan 0.000 0.529 64 S N -0.765 114.934 115.700 -0.001 0.000 3.267 64 S HA -0.165 4.303 4.470 -0.002 0.000 0.389 64 S C 0.167 174.763 174.600 -0.007 0.000 0.863 64 S CA 0.542 58.737 58.200 -0.008 0.000 1.354 64 S CB -1.403 61.792 63.200 -0.008 0.000 1.008 64 S HN 0.783 nan 8.310 nan 0.000 0.602 65 S N 2.193 117.888 115.700 -0.008 0.000 3.952 65 S HA 0.979 5.447 4.470 -0.002 0.000 0.293 65 S C 0.018 174.612 174.600 -0.010 0.000 1.090 65 S CA 0.044 58.240 58.200 -0.007 0.000 1.264 65 S CB 1.284 64.483 63.200 -0.002 0.000 1.393 65 S HN 1.730 nan 8.310 nan 0.000 0.757 66 T N -1.224 113.326 114.554 -0.007 0.000 2.889 66 T HA 0.945 5.294 4.350 -0.002 0.000 0.315 66 T C -0.408 174.290 174.700 -0.003 0.000 1.291 66 T CA -0.146 61.949 62.100 -0.008 0.000 1.028 66 T CB 1.173 70.035 68.868 -0.009 0.000 1.235 66 T HN 1.549 nan 8.240 nan 0.000 0.491 67 R N 0.298 120.796 120.500 -0.003 0.000 2.741 67 R HA 0.916 5.254 4.340 -0.002 0.000 0.274 67 R C -0.722 175.579 176.300 0.002 0.000 1.029 67 R CA -0.298 55.802 56.100 0.001 0.000 0.880 67 R CB -0.317 29.986 30.300 0.005 0.000 1.264 67 R HN 0.922 nan 8.270 nan 0.000 0.465 68 T N 1.767 116.323 114.554 0.004 0.000 2.744 68 T HA 0.571 4.919 4.350 -0.002 0.000 0.291 68 T C -0.057 174.649 174.700 0.010 0.000 0.957 68 T CA 0.019 62.122 62.100 0.005 0.000 1.002 68 T CB 0.478 69.349 68.868 0.005 0.000 0.919 68 T HN 1.561 nan 8.240 nan 0.000 0.468 69 V N 1.116 121.037 119.914 0.012 0.000 2.569 69 V HA 0.570 4.688 4.120 -0.002 0.000 0.301 69 V C -0.534 175.572 176.094 0.020 0.000 1.044 69 V CA -1.485 60.827 62.300 0.019 0.000 0.874 69 V CB 1.367 33.207 31.823 0.029 0.000 1.002 69 V HN 0.709 nan 8.190 nan 0.000 0.424 70 K N 2.725 123.138 120.400 0.022 0.000 2.436 70 K HA 0.356 4.675 4.320 -0.002 0.000 0.282 70 K C 1.333 177.948 176.600 0.026 0.000 1.044 70 K CA 0.568 56.867 56.287 0.021 0.000 1.028 70 K CB 0.713 33.227 32.500 0.022 0.000 0.919 70 K HN 0.944 nan 8.250 nan 0.000 0.474 71 K N 2.047 122.460 120.400 0.020 0.000 2.678 71 K HA -0.136 4.183 4.320 -0.002 0.000 0.194 71 K C 1.223 177.839 176.600 0.027 0.000 1.031 71 K CA 2.059 58.358 56.287 0.020 0.000 0.961 71 K CB -1.473 31.034 32.500 0.013 0.000 0.793 71 K HN 0.841 nan 8.250 nan 0.000 0.492 72 D N -0.189 120.232 120.400 0.034 0.000 2.441 72 D HA 0.032 4.671 4.640 -0.002 0.000 0.210 72 D C 1.187 177.520 176.300 0.055 0.000 1.102 72 D CA 0.360 54.384 54.000 0.039 0.000 0.840 72 D CB 0.207 41.028 40.800 0.034 0.000 0.990 72 D HN 0.460 nan 8.370 nan 0.000 0.505 73 D N -0.556 119.881 120.400 0.062 0.000 2.392 73 D HA 0.233 4.871 4.640 -0.002 0.000 0.206 73 D C 1.335 177.715 176.300 0.134 0.000 1.046 73 D CA 0.363 54.417 54.000 0.090 0.000 0.865 73 D CB 0.418 41.261 40.800 0.072 0.000 0.969 73 D HN 0.593 nan 8.370 nan 0.000 0.509 74 I N 0.855 121.488 120.570 0.105 0.000 2.634 74 I HA 0.281 4.450 4.170 -0.002 0.000 0.284 74 I C 0.359 176.545 176.117 0.115 0.000 1.124 74 I CA -0.063 61.309 61.300 0.121 0.000 1.417 74 I CB -0.097 37.939 38.000 0.059 0.000 1.396 74 I HN -0.175 nan 8.210 nan 0.000 0.571 75 Q N 3.467 123.360 119.800 0.155 0.000 2.353 75 Q HA 0.499 4.837 4.340 -0.002 0.000 0.268 75 Q C -0.102 175.952 176.000 0.090 0.000 1.045 75 Q CA -0.700 55.161 55.803 0.095 0.000 0.811 75 Q CB 1.850 30.615 28.738 0.044 0.000 1.305 75 Q HN 0.936 nan 8.270 nan 0.000 0.447 76 S N 2.311 117.972 115.700 -0.065 0.000 2.558 76 S HA 0.019 4.487 4.470 -0.002 0.000 0.293 76 S C -0.243 174.332 174.600 -0.042 0.000 1.292 76 S CA 0.399 58.417 58.200 -0.304 0.000 1.063 76 S CB 0.176 62.845 63.200 -0.884 0.000 0.831 76 S HN 0.504 nan 8.310 nan 0.000 0.499 77 M N 4.360 123.955 119.600 -0.007 0.000 2.205 77 M HA 0.274 4.753 4.480 -0.002 0.000 0.344 77 M C -0.501 176.071 176.300 0.454 0.000 1.085 77 M CA -0.631 54.869 55.300 0.333 0.000 1.001 77 M CB 0.572 33.249 32.600 0.129 0.000 1.626 77 M HN 0.485 nan 8.290 nan 0.000 0.442 78 N N 5.368 124.308 118.700 0.400 0.000 2.508 78 N HA 0.330 5.069 4.740 -0.002 0.000 0.264 78 N C -2.503 172.903 175.510 -0.174 0.000 1.216 78 N CA -0.766 52.448 53.050 0.273 0.000 0.943 78 N CB 0.598 39.176 38.487 0.152 0.000 1.113 78 N HN 0.446 nan 8.380 nan 0.000 0.447 79 P HA 0.115 nan 4.420 nan 0.000 0.285 79 P C -1.726 175.299 177.300 -0.458 0.000 1.282 79 P CA -0.560 61.944 63.100 -0.993 0.000 0.778 79 P CB -0.025 31.474 31.700 -0.336 0.000 1.222 80 P HA -0.067 nan 4.420 nan 0.000 0.224 80 P C 0.894 178.144 177.300 -0.083 0.000 1.157 80 P CA 1.392 64.424 63.100 -0.113 0.000 0.799 80 P CB -0.261 31.401 31.700 -0.065 0.000 0.809 81 K N -0.713 119.564 120.400 -0.204 0.000 2.589 81 K HA -0.094 4.225 4.320 -0.002 0.000 0.195 81 K C 0.054 176.366 176.600 -0.481 0.000 1.042 81 K CA 1.335 57.410 56.287 -0.353 0.000 0.940 81 K CB -1.221 30.980 32.500 -0.498 0.000 0.776 81 K HN 0.134 nan 8.250 nan 0.000 0.487 82 F N 1.318 121.251 119.950 -0.028 0.000 2.879 82 F HA 0.295 4.820 4.527 -0.003 0.000 0.354 82 F C -0.227 175.601 175.800 0.046 0.000 1.291 82 F CA -0.994 57.010 58.000 0.007 0.000 1.238 82 F CB 0.559 39.567 39.000 0.014 0.000 1.005 82 F HN -0.086 nan 8.300 nan 0.000 0.508 83 E N 1.893 122.180 120.200 0.146 0.000 2.229 83 E HA 0.151 4.499 4.350 -0.002 0.000 0.283 83 E C 0.176 176.813 176.600 0.063 0.000 1.030 83 E CA -0.278 56.196 56.400 0.124 0.000 0.836 83 E CB 0.796 30.545 29.700 0.082 0.000 1.068 83 E HN 0.335 nan 8.360 nan 0.000 0.401 84 K N 1.297 121.714 120.400 0.028 0.000 3.689 84 K HA -0.231 4.088 4.320 -0.002 0.000 0.276 84 K C -0.063 176.551 176.600 0.023 0.000 0.932 84 K CA 0.044 56.327 56.287 -0.007 0.000 0.758 84 K CB -1.345 31.138 32.500 -0.029 0.000 1.500 84 K HN 0.177 nan 8.250 nan 0.000 0.448 85 L N 2.103 123.363 121.223 0.062 0.000 2.268 85 L HA 0.115 4.454 4.340 -0.002 0.000 0.289 85 L C 1.513 178.420 176.870 0.062 0.000 1.064 85 L CA 0.198 55.091 54.840 0.088 0.000 0.824 85 L CB 0.500 42.669 42.059 0.183 0.000 1.202 85 L HN 0.241 nan 8.230 nan 0.000 0.433 86 E N 1.965 122.185 120.200 0.033 0.000 2.241 86 E HA -0.299 4.049 4.350 -0.002 0.000 0.244 86 E C 0.031 176.670 176.600 0.065 0.000 1.070 86 E CA 1.992 58.396 56.400 0.007 0.000 0.998 86 E CB -0.105 29.607 29.700 0.021 0.000 0.879 86 E HN 0.706 nan 8.360 nan 0.000 0.501 87 D N -0.734 119.754 120.400 0.146 0.000 2.349 87 D HA 0.179 4.818 4.640 -0.002 0.000 0.232 87 D C 0.781 177.167 176.300 0.143 0.000 1.071 87 D CA -0.107 54.019 54.000 0.211 0.000 0.832 87 D CB 0.853 41.795 40.800 0.237 0.000 1.086 87 D HN 0.012 nan 8.370 nan 0.000 0.504 88 M N 2.085 121.762 119.600 0.128 0.000 2.476 88 M HA -0.012 4.467 4.480 -0.002 0.000 0.262 88 M C 1.632 177.958 176.300 0.045 0.000 1.079 88 M CA 0.418 55.762 55.300 0.073 0.000 1.104 88 M CB 0.150 32.785 32.600 0.059 0.000 1.409 88 M HN 0.409 nan 8.290 nan 0.000 0.467 89 A N 0.346 123.209 122.820 0.071 0.000 2.258 89 A HA -0.025 4.293 4.320 -0.002 0.000 0.206 89 A C 1.451 179.044 177.584 0.015 0.000 1.222 89 A CA 0.834 52.897 52.037 0.043 0.000 0.822 89 A CB -0.632 18.400 19.000 0.054 0.000 0.804 89 A HN 0.478 nan 8.150 nan 0.000 0.483 90 N N -0.980 117.729 118.700 0.015 0.000 2.257 90 N HA 0.168 4.906 4.740 -0.002 0.000 0.200 90 N C 0.127 175.579 175.510 -0.098 0.000 1.163 90 N CA 0.065 53.126 53.050 0.019 0.000 0.891 90 N CB 0.072 38.623 38.487 0.106 0.000 1.067 90 N HN 0.485 nan 8.380 nan 0.000 0.497 91 M N 0.756 120.205 119.600 -0.252 0.000 2.249 91 M HA 0.013 4.492 4.480 -0.002 0.000 0.340 91 M C 1.560 177.436 176.300 -0.706 0.000 1.166 91 M CA 0.353 55.180 55.300 -0.790 0.000 1.115 91 M CB 0.395 32.691 32.600 -0.506 0.000 1.606 91 M HN -0.103 nan 8.290 nan 0.000 0.448 92 T N 0.870 114.795 114.554 -1.048 0.000 2.684 92 T HA -0.148 4.201 4.350 -0.002 0.000 0.267 92 T C -0.069 174.256 174.700 -0.625 0.000 1.036 92 T CA 1.657 63.347 62.100 -0.684 0.000 1.148 92 T CB -0.183 68.260 68.868 -0.707 0.000 0.863 92 T HN 0.440 nan 8.240 nan 0.000 0.436 93 Y N 0.997 121.174 120.300 -0.205 0.000 2.478 93 Y HA 0.525 5.074 4.550 -0.002 0.000 0.329 93 Y C -0.270 175.560 175.900 -0.117 0.000 0.967 93 Y CA -1.607 56.435 58.100 -0.097 0.000 1.255 93 Y CB 0.494 38.941 38.460 -0.020 0.000 1.103 93 Y HN 0.059 nan 8.280 nan 0.000 0.497 94 L N 5.713 126.949 121.223 0.022 0.000 2.287 94 L HA 0.542 4.880 4.340 -0.002 0.000 0.280 94 L C -1.131 175.735 176.870 -0.007 0.000 1.055 94 L CA -0.097 54.733 54.840 -0.017 0.000 0.863 94 L CB -0.366 41.681 42.059 -0.021 0.000 1.245 94 L HN 0.673 nan 8.230 nan 0.000 0.432 95 N N 0.619 119.287 118.700 -0.054 0.000 2.629 95 N HA 0.272 5.010 4.740 -0.002 0.000 0.279 95 N C 0.275 175.686 175.510 -0.165 0.000 1.344 95 N CA -0.855 52.144 53.050 -0.086 0.000 0.789 95 N CB 0.475 38.907 38.487 -0.091 0.000 1.508 95 N HN 0.424 nan 8.380 nan 0.000 0.516 96 E N -0.594 119.520 120.200 -0.143 0.000 2.171 96 E HA -0.282 4.066 4.350 -0.002 0.000 0.197 96 E C 1.167 177.575 176.600 -0.320 0.000 0.997 96 E CA 1.675 57.997 56.400 -0.130 0.000 0.810 96 E CB -0.136 29.578 29.700 0.024 0.000 0.738 96 E HN 0.664 nan 8.360 nan 0.000 0.467 97 A N -0.299 122.082 122.820 -0.732 0.000 1.997 97 A HA 0.037 4.356 4.320 -0.002 0.000 0.212 97 A C 2.146 179.144 177.584 -0.978 0.000 1.178 97 A CA 0.797 52.052 52.037 -1.303 0.000 0.698 97 A CB -0.143 17.349 19.000 -2.512 0.000 0.842 97 A HN 0.223 nan 8.150 nan 0.000 0.458 98 S N -0.437 114.868 115.700 -0.659 0.000 2.447 98 S HA -0.081 4.388 4.470 -0.002 0.000 0.233 98 S C 1.712 176.194 174.600 -0.196 0.000 1.006 98 S CA 1.463 59.436 58.200 -0.379 0.000 0.957 98 S CB -0.296 62.818 63.200 -0.143 0.000 0.773 98 S HN 0.294 nan 8.310 nan 0.000 0.507 99 V N 1.200 120.988 119.914 -0.210 0.000 2.426 99 V HA 0.046 4.164 4.120 -0.002 0.000 0.242 99 V C 2.150 178.180 176.094 -0.106 0.000 1.036 99 V CA 1.109 63.340 62.300 -0.114 0.000 1.044 99 V CB -0.610 31.154 31.823 -0.098 0.000 0.688 99 V HN 0.483 nan 8.190 nan 0.000 0.462 100 L N -0.490 120.643 121.223 -0.151 0.000 2.349 100 L HA -0.190 4.149 4.340 -0.002 0.000 0.220 100 L C 2.056 178.898 176.870 -0.047 0.000 1.130 100 L CA 1.961 56.751 54.840 -0.083 0.000 0.791 100 L CB -0.765 41.264 42.059 -0.049 0.000 0.918 100 L HN 0.462 nan 8.230 nan 0.000 0.444 101 Y N -0.368 119.790 120.300 -0.238 0.000 2.230 101 Y HA -0.058 4.491 4.550 -0.001 0.000 0.294 101 Y C 2.468 178.354 175.900 -0.023 0.000 1.120 101 Y CA 1.789 59.808 58.100 -0.134 0.000 1.129 101 Y CB -0.356 38.000 38.460 -0.173 0.000 1.040 101 Y HN 0.343 nan 8.280 nan 0.000 0.519 102 N N -0.215 118.458 118.700 -0.046 0.000 2.244 102 N HA -0.197 4.542 4.740 -0.002 0.000 0.183 102 N C 1.899 177.349 175.510 -0.099 0.000 1.016 102 N CA 1.141 54.138 53.050 -0.089 0.000 0.866 102 N CB -0.041 38.452 38.487 0.010 0.000 0.980 102 N HN 0.342 nan 8.380 nan 0.000 0.430 103 L N 0.993 122.172 121.223 -0.072 0.000 2.023 103 L HA 0.059 4.398 4.340 -0.002 0.000 0.205 103 L C 2.552 179.409 176.870 -0.022 0.000 1.073 103 L CA 1.463 56.272 54.840 -0.051 0.000 0.745 103 L CB -1.722 40.304 42.059 -0.055 0.000 0.900 103 L HN 0.202 nan 8.230 nan 0.000 0.435 104 R N -0.612 119.871 120.500 -0.029 0.000 2.096 104 R HA -0.156 4.183 4.340 -0.002 0.000 0.235 104 R C 2.661 178.923 176.300 -0.064 0.000 1.127 104 R CA 1.671 57.781 56.100 0.018 0.000 0.968 104 R CB -0.249 30.069 30.300 0.031 0.000 0.861 104 R HN 0.644 nan 8.270 nan 0.000 0.440 105 S N 0.087 115.637 115.700 -0.250 0.000 2.348 105 S HA -0.092 4.377 4.470 -0.002 0.000 0.221 105 S C 1.859 176.370 174.600 -0.149 0.000 1.033 105 S CA 1.180 59.191 58.200 -0.315 0.000 1.010 105 S CB -0.042 62.795 63.200 -0.606 0.000 0.891 105 S HN 0.379 nan 8.310 nan 0.000 0.442 106 R N -0.249 120.191 120.500 -0.102 0.000 2.082 106 R HA -0.117 4.221 4.340 -0.002 0.000 0.228 106 R C 2.244 178.557 176.300 0.021 0.000 1.140 106 R CA 1.805 57.880 56.100 -0.042 0.000 0.920 106 R CB -0.878 29.405 30.300 -0.029 0.000 0.828 106 R HN 0.423 nan 8.270 nan 0.000 0.430 107 Y N 2.368 122.609 120.300 -0.099 0.000 2.172 107 Y HA -0.335 4.213 4.550 -0.004 0.000 0.280 107 Y C 2.306 178.167 175.900 -0.066 0.000 1.209 107 Y CA 2.079 60.131 58.100 -0.081 0.000 1.171 107 Y CB -0.937 37.482 38.460 -0.068 0.000 0.965 107 Y HN 0.269 nan 8.280 nan 0.000 0.520 108 T N -3.912 110.548 114.554 -0.155 0.000 2.951 108 T HA -0.087 4.261 4.350 -0.002 0.000 0.268 108 T C 2.010 176.597 174.700 -0.187 0.000 1.073 108 T CA 1.239 63.189 62.100 -0.250 0.000 1.134 108 T CB -0.622 68.155 68.868 -0.152 0.000 0.884 108 T HN 0.291 nan 8.240 nan 0.000 0.479 109 S N 0.552 116.169 115.700 -0.139 0.000 2.489 109 S HA 0.379 4.847 4.470 -0.002 0.000 0.228 109 S C 1.875 176.349 174.600 -0.209 0.000 0.995 109 S CA 0.707 58.820 58.200 -0.145 0.000 0.934 109 S CB -0.200 62.931 63.200 -0.114 0.000 0.771 109 S HN 0.940 nan 8.310 nan 0.000 0.522 110 G N 0.102 108.794 108.800 -0.180 0.000 2.480 110 G HA2 -0.136 3.823 3.960 -0.002 0.000 0.193 110 G HA3 -0.136 3.823 3.960 -0.002 0.000 0.193 110 G C -0.236 174.645 174.900 -0.031 0.000 1.004 110 G CA -0.680 44.301 45.100 -0.197 0.000 0.696 110 G HN 0.274 nan 8.290 nan 0.000 0.478 111 L N 1.832 123.040 121.223 -0.025 0.000 2.456 111 L HA 0.542 4.881 4.340 -0.002 0.000 0.272 111 L C 1.634 178.536 176.870 0.054 0.000 1.189 111 L CA 0.761 55.617 54.840 0.028 0.000 0.846 111 L CB 0.873 42.933 42.059 0.003 0.000 1.111 111 L HN 0.467 nan 8.230 nan 0.000 0.475 112 I N -2.188 118.339 120.570 -0.072 0.000 4.338 112 I HA 0.268 4.436 4.170 -0.002 0.000 0.329 112 I C -0.592 175.210 176.117 -0.525 0.000 1.378 112 I CA -0.282 60.847 61.300 -0.284 0.000 1.170 112 I CB 0.286 38.045 38.000 -0.401 0.000 1.206 112 I HN 0.259 nan 8.210 nan 0.000 0.432 113 Y N 2.510 122.742 120.300 -0.114 0.000 2.478 113 Y HA 0.598 5.145 4.550 -0.005 0.000 0.329 113 Y C -0.231 175.560 175.900 -0.182 0.000 0.967 113 Y CA -0.789 57.222 58.100 -0.149 0.000 1.255 113 Y CB 1.451 39.791 38.460 -0.199 0.000 1.103 113 Y HN 0.030 nan 8.280 nan 0.000 0.497 114 T N 2.717 117.266 114.554 -0.008 0.000 2.848 114 T HA 0.487 4.836 4.350 -0.002 0.000 0.285 114 T C -0.830 173.917 174.700 0.078 0.000 0.995 114 T CA -0.846 61.229 62.100 -0.042 0.000 0.970 114 T CB 0.975 69.835 68.868 -0.014 0.000 0.976 114 T HN 0.130 nan 8.240 nan 0.000 0.441 115 Y N 0.927 121.308 120.300 0.136 0.000 2.408 115 Y HA 0.666 5.214 4.550 -0.003 0.000 0.324 115 Y C 1.144 177.127 175.900 0.139 0.000 1.302 115 Y CA -1.482 56.711 58.100 0.155 0.000 1.384 115 Y CB 1.188 39.731 38.460 0.139 0.000 1.367 115 Y HN 0.670 nan 8.280 nan 0.000 0.525 116 S N 0.345 116.267 115.700 0.370 0.000 2.777 116 S HA 0.483 4.951 4.470 -0.002 0.000 0.140 116 S C 0.026 174.775 174.600 0.249 0.000 1.233 116 S CA 0.178 58.540 58.200 0.270 0.000 1.157 116 S CB -0.898 62.462 63.200 0.267 0.000 1.600 116 S HN 1.404 nan 8.310 nan 0.000 0.432 117 G N 3.621 112.510 108.800 0.148 0.000 2.536 117 G HA2 -0.308 3.650 3.960 -0.002 0.000 0.280 117 G HA3 -0.308 3.650 3.960 -0.002 0.000 0.280 117 G C 0.747 175.650 174.900 0.006 0.000 1.152 117 G CA 0.235 45.363 45.100 0.046 0.000 0.970 117 G HN 0.910 nan 8.290 nan 0.000 0.549 118 L N 0.126 121.317 121.223 -0.053 0.000 2.042 118 L HA 0.137 4.476 4.340 -0.002 0.000 0.210 118 L C 2.243 179.149 176.870 0.060 0.000 1.076 118 L CA 0.955 55.762 54.840 -0.056 0.000 0.749 118 L CB -0.708 41.288 42.059 -0.106 0.000 0.893 118 L HN 0.315 nan 8.230 nan 0.000 0.432 119 F N -0.559 119.531 119.950 0.233 0.000 2.587 119 F HA 0.025 4.550 4.527 -0.003 0.000 0.319 119 F C 0.667 176.626 175.800 0.264 0.000 1.253 119 F CA -0.071 58.063 58.000 0.224 0.000 1.345 119 F CB 0.461 39.524 39.000 0.104 0.000 1.172 119 F HN 0.011 nan 8.300 nan 0.000 0.588 120 C N 3.457 123.084 119.300 0.546 0.000 3.146 120 C HA 0.408 4.866 4.460 -0.002 0.000 0.382 120 C C -0.603 174.602 174.990 0.358 0.000 1.060 120 C CA -0.954 58.380 59.018 0.526 0.000 1.304 120 C CB -1.384 26.695 27.740 0.564 0.000 1.699 120 C HN 0.608 nan 8.230 nan 0.000 0.532 121 I N 4.592 125.299 120.570 0.228 0.000 2.519 121 I HA 0.521 4.690 4.170 -0.002 0.000 0.287 121 I C 0.822 176.944 176.117 0.009 0.000 1.047 121 I CA 0.204 61.550 61.300 0.076 0.000 1.381 121 I CB 1.376 39.362 38.000 -0.023 0.000 1.417 121 I HN 0.804 nan 8.210 nan 0.000 0.540 122 A N 6.618 129.399 122.820 -0.065 0.000 2.310 122 A HA 0.627 4.946 4.320 -0.002 0.000 0.304 122 A C -0.504 176.912 177.584 -0.279 0.000 1.231 122 A CA -0.499 51.393 52.037 -0.240 0.000 0.799 122 A CB 0.854 19.775 19.000 -0.132 0.000 1.162 122 A HN 0.447 nan 8.150 nan 0.000 0.486 123 V N 2.816 122.491 119.914 -0.398 0.000 2.732 123 V HA 0.150 4.269 4.120 -0.002 0.000 0.297 123 V C 0.887 176.708 176.094 -0.455 0.000 1.060 123 V CA -0.848 61.161 62.300 -0.486 0.000 1.038 123 V CB 1.409 32.748 31.823 -0.805 0.000 1.003 123 V HN 0.913 nan 8.190 nan 0.000 0.481 124 N N 5.005 123.459 118.700 -0.410 0.000 2.421 124 N HA 0.159 4.897 4.740 -0.002 0.000 0.260 124 N C -2.604 172.680 175.510 -0.377 0.000 1.173 124 N CA -1.272 51.533 53.050 -0.408 0.000 0.960 124 N CB 0.940 39.142 38.487 -0.475 0.000 1.273 124 N HN 0.352 nan 8.380 nan 0.000 0.497 125 P HA 0.028 nan 4.420 nan 0.000 0.271 125 P C -0.644 176.597 177.300 -0.099 0.000 1.216 125 P CA 0.132 63.258 63.100 0.043 0.000 0.771 125 P CB 0.150 31.882 31.700 0.053 0.000 0.864 126 Y N 2.976 123.359 120.300 0.137 0.000 2.811 126 Y HA 0.236 4.785 4.550 -0.002 0.000 0.330 126 Y C 1.002 176.943 175.900 0.070 0.000 1.081 126 Y CA -0.030 58.122 58.100 0.087 0.000 1.408 126 Y CB 0.006 38.513 38.460 0.079 0.000 1.235 126 Y HN 0.296 nan 8.280 nan 0.000 0.529 127 R N -2.479 118.108 120.500 0.144 0.000 2.634 127 R HA 0.780 5.118 4.340 -0.002 0.000 0.263 127 R C -0.500 175.846 176.300 0.077 0.000 1.060 127 R CA -1.145 55.020 56.100 0.109 0.000 0.898 127 R CB 0.590 30.958 30.300 0.113 0.000 1.253 127 R HN 0.022 nan 8.270 nan 0.000 0.461 128 R N 2.051 122.586 120.500 0.058 0.000 2.784 128 R HA 0.550 4.889 4.340 -0.002 0.000 0.266 128 R C -0.293 176.013 176.300 0.010 0.000 1.044 128 R CA 0.252 56.387 56.100 0.059 0.000 1.151 128 R CB -0.122 30.206 30.300 0.046 0.000 1.037 128 R HN 0.570 nan 8.270 nan 0.000 0.478 129 L N 1.416 122.660 121.223 0.036 0.000 2.424 129 L HA 0.406 4.745 4.340 -0.002 0.000 0.258 129 L C -1.739 175.064 176.870 -0.111 0.000 0.995 129 L CA -2.134 52.619 54.840 -0.145 0.000 0.821 129 L CB 2.817 44.768 42.059 -0.180 0.000 1.383 129 L HN 0.496 nan 8.230 nan 0.000 0.410 130 P HA -0.064 nan 4.420 nan 0.000 0.228 130 P C 1.679 178.912 177.300 -0.111 0.000 1.151 130 P CA 0.846 63.867 63.100 -0.132 0.000 0.770 130 P CB 0.100 31.700 31.700 -0.165 0.000 0.786 131 I N -2.356 118.080 120.570 -0.224 0.000 2.454 131 I HA -0.214 3.954 4.170 -0.002 0.000 0.254 131 I C 1.753 177.658 176.117 -0.353 0.000 1.156 131 I CA 1.675 62.789 61.300 -0.311 0.000 1.433 131 I CB -2.112 35.594 38.000 -0.490 0.000 1.082 131 I HN 0.001 nan 8.210 nan 0.000 0.432 132 Y N 1.636 121.946 120.300 0.017 0.000 2.461 132 Y HA 0.263 4.810 4.550 -0.005 0.000 0.277 132 Y C 1.820 177.880 175.900 0.268 0.000 1.182 132 Y CA 0.027 58.245 58.100 0.196 0.000 1.276 132 Y CB -0.994 37.624 38.460 0.265 0.000 1.087 132 Y HN 0.465 nan 8.280 nan 0.000 0.519 133 T N -2.562 112.135 114.554 0.238 0.000 2.900 133 T HA -0.066 4.283 4.350 -0.002 0.000 0.307 133 T C 1.250 176.043 174.700 0.154 0.000 1.065 133 T CA -0.321 61.874 62.100 0.157 0.000 1.105 133 T CB 0.989 69.899 68.868 0.071 0.000 0.979 133 T HN 0.213 nan 8.240 nan 0.000 0.544 134 D N 0.804 121.255 120.400 0.085 0.000 2.190 134 D HA -0.158 4.481 4.640 -0.002 0.000 0.200 134 D C 2.084 178.403 176.300 0.032 0.000 0.992 134 D CA 1.537 55.558 54.000 0.035 0.000 0.854 134 D CB -0.313 40.483 40.800 -0.007 0.000 0.936 134 D HN 0.632 nan 8.370 nan 0.000 0.462 135 S N -1.021 114.695 115.700 0.027 0.000 2.383 135 S HA -0.095 4.374 4.470 -0.002 0.000 0.227 135 S C 2.172 176.786 174.600 0.023 0.000 1.026 135 S CA 1.019 59.223 58.200 0.008 0.000 0.981 135 S CB -0.207 62.982 63.200 -0.017 0.000 0.818 135 S HN 0.135 nan 8.310 nan 0.000 0.472 136 V N 2.335 122.278 119.914 0.049 0.000 2.332 136 V HA -0.180 3.939 4.120 -0.002 0.000 0.248 136 V C 2.208 178.442 176.094 0.235 0.000 1.055 136 V CA 1.964 64.316 62.300 0.086 0.000 1.038 136 V CB -0.671 31.184 31.823 0.052 0.000 0.651 136 V HN 0.536 nan 8.190 nan 0.000 0.450 137 I N 0.567 121.282 120.570 0.242 0.000 2.248 137 I HA -0.312 3.857 4.170 -0.002 0.000 0.248 137 I C 2.593 178.799 176.117 0.147 0.000 1.107 137 I CA 1.622 63.050 61.300 0.213 0.000 1.373 137 I CB -0.604 37.364 38.000 -0.053 0.000 1.055 137 I HN 0.323 nan 8.210 nan 0.000 0.418 138 A N 0.623 123.495 122.820 0.087 0.000 1.969 138 A HA -0.177 4.142 4.320 -0.002 0.000 0.218 138 A C 2.330 179.978 177.584 0.107 0.000 1.169 138 A CA 1.326 53.401 52.037 0.062 0.000 0.635 138 A CB -0.339 18.676 19.000 0.026 0.000 0.810 138 A HN 0.325 nan 8.150 nan 0.000 0.445 139 K N -1.510 118.974 120.400 0.140 0.000 2.057 139 K HA -0.128 4.191 4.320 -0.002 0.000 0.207 139 K C 1.410 178.096 176.600 0.144 0.000 1.049 139 K CA 1.552 57.921 56.287 0.136 0.000 0.931 139 K CB -0.292 32.284 32.500 0.126 0.000 0.714 139 K HN 0.600 nan 8.250 nan 0.000 0.440 140 Y N 1.179 121.571 120.300 0.153 0.000 2.529 140 Y HA 0.041 4.591 4.550 -0.000 0.000 0.290 140 Y C 0.256 176.260 175.900 0.174 0.000 1.177 140 Y CA 0.139 58.344 58.100 0.174 0.000 1.305 140 Y CB 0.033 38.624 38.460 0.218 0.000 1.047 140 Y HN -0.170 nan 8.280 nan 0.000 0.522 141 R N 0.537 121.186 120.500 0.249 0.000 2.457 141 R HA 0.123 4.462 4.340 -0.002 0.000 0.335 141 R C 1.331 177.715 176.300 0.140 0.000 1.003 141 R CA 0.906 57.116 56.100 0.182 0.000 1.003 141 R CB -0.374 29.990 30.300 0.106 0.000 0.950 141 R HN 0.557 nan 8.270 nan 0.000 0.428 142 G N 2.430 111.325 108.800 0.159 0.000 2.347 142 G HA2 -0.307 3.651 3.960 -0.002 0.000 0.247 142 G HA3 -0.307 3.651 3.960 -0.002 0.000 0.247 142 G C -0.049 174.900 174.900 0.081 0.000 1.037 142 G CA -0.025 45.145 45.100 0.116 0.000 0.622 142 G HN 0.417 nan 8.290 nan 0.000 0.521 143 K N 1.743 122.184 120.400 0.068 0.000 2.484 143 K HA 0.539 4.858 4.320 -0.002 0.000 0.280 143 K C 0.893 177.512 176.600 0.030 0.000 1.013 143 K CA 0.622 56.924 56.287 0.025 0.000 1.029 143 K CB -0.195 32.288 32.500 -0.029 0.000 0.902 143 K HN 0.971 nan 8.250 nan 0.000 0.481 144 R N 3.169 123.678 120.500 0.016 0.000 2.489 144 R HA -0.006 4.333 4.340 -0.002 0.000 0.287 144 R C 1.216 177.530 176.300 0.024 0.000 1.053 144 R CA 0.393 56.503 56.100 0.015 0.000 1.036 144 R CB -0.799 29.501 30.300 0.000 0.000 0.966 144 R HN 0.693 nan 8.270 nan 0.000 0.432 145 K N 0.843 121.264 120.400 0.035 0.000 2.137 145 K HA -0.286 4.032 4.320 -0.002 0.000 0.216 145 K C 2.360 179.032 176.600 0.120 0.000 1.052 145 K CA 2.606 58.934 56.287 0.068 0.000 0.939 145 K CB -0.289 32.149 32.500 -0.103 0.000 0.724 145 K HN 0.855 nan 8.250 nan 0.000 0.465 146 T N 0.223 114.810 114.554 0.055 0.000 2.643 146 T HA -0.190 4.159 4.350 -0.002 0.000 0.264 146 T C 1.555 176.277 174.700 0.037 0.000 1.045 146 T CA 1.996 64.135 62.100 0.065 0.000 1.155 146 T CB -0.334 68.549 68.868 0.024 0.000 0.863 146 T HN 0.433 nan 8.240 nan 0.000 0.420 147 E N 1.061 121.262 120.200 0.001 0.000 3.187 147 E HA 0.527 4.876 4.350 -0.002 0.000 0.297 147 E C 0.404 176.952 176.600 -0.086 0.000 1.515 147 E CA 0.380 56.758 56.400 -0.036 0.000 1.641 147 E CB -1.609 28.073 29.700 -0.030 0.000 1.314 147 E HN 0.815 nan 8.360 nan 0.000 0.462 148 I N -2.121 118.390 120.570 -0.099 0.000 2.494 148 I HA 0.168 4.337 4.170 -0.002 0.000 0.305 148 I C -2.983 173.063 176.117 -0.118 0.000 1.954 148 I CA -1.515 59.656 61.300 -0.215 0.000 1.006 148 I CB 1.711 39.501 38.000 -0.351 0.000 1.650 148 I HN 0.018 nan 8.210 nan 0.000 0.559 149 P HA 0.070 nan 4.420 nan 0.000 0.267 149 P C -2.526 174.803 177.300 0.048 0.000 1.175 149 P CA -0.171 62.892 63.100 -0.060 0.000 0.763 149 P CB -0.223 31.442 31.700 -0.059 0.000 0.795 150 P HA 0.103 nan 4.420 nan 0.000 0.269 150 P C -0.581 176.674 177.300 -0.075 0.000 1.215 150 P CA 0.960 63.682 63.100 -0.630 0.000 0.780 150 P CB 0.413 31.538 31.700 -0.957 0.000 0.898 151 H N 1.093 120.020 119.070 -0.238 0.000 2.961 151 H HA 0.027 4.580 4.556 -0.005 0.000 0.278 151 H C -0.425 174.471 175.328 -0.719 0.000 1.338 151 H CA -0.569 54.940 56.048 -0.898 0.000 1.373 151 H CB 0.349 29.716 29.762 -0.659 0.000 1.915 151 H HN 0.220 nan 8.280 nan 0.000 0.500 152 L N 2.910 123.628 121.223 -0.841 0.000 2.275 152 L HA 0.007 4.346 4.340 -0.002 0.000 0.215 152 L C 1.379 178.373 176.870 0.205 0.000 1.119 152 L CA 1.521 56.364 54.840 0.003 0.000 0.790 152 L CB -0.805 41.383 42.059 0.216 0.000 0.919 152 L HN 0.458 nan 8.230 nan 0.000 0.443 153 F N -0.284 119.576 119.950 -0.149 0.000 2.234 153 F HA -0.101 4.420 4.527 -0.009 0.000 0.299 153 F C 2.842 178.395 175.800 -0.412 0.000 1.087 153 F CA 0.875 58.503 58.000 -0.620 0.000 1.340 153 F CB -1.562 36.915 39.000 -0.872 0.000 1.031 153 F HN 0.367 nan 8.300 nan 0.000 0.500 154 S N -0.272 115.496 115.700 0.112 0.000 2.383 154 S HA -0.116 4.352 4.470 -0.002 0.000 0.227 154 S C 2.128 176.821 174.600 0.155 0.000 1.026 154 S CA 1.223 59.601 58.200 0.296 0.000 0.981 154 S CB -1.123 62.375 63.200 0.496 0.000 0.818 154 S HN 0.123 nan 8.310 nan 0.000 0.472 155 V N 2.442 122.446 119.914 0.149 0.000 2.392 155 V HA -0.133 3.985 4.120 -0.002 0.000 0.249 155 V C 3.082 179.173 176.094 -0.005 0.000 1.059 155 V CA 1.777 64.156 62.300 0.132 0.000 1.051 155 V CB -1.524 30.403 31.823 0.173 0.000 0.658 155 V HN 0.700 nan 8.190 nan 0.000 0.455 156 A N -0.491 122.260 122.820 -0.114 0.000 1.850 156 A HA -0.199 4.120 4.320 -0.002 0.000 0.212 156 A C 2.214 179.704 177.584 -0.156 0.000 1.208 156 A CA 1.348 53.255 52.037 -0.216 0.000 0.609 156 A CB -0.733 18.038 19.000 -0.381 0.000 0.860 156 A HN 0.492 nan 8.150 nan 0.000 0.448 157 D N -0.247 120.042 120.400 -0.185 0.000 2.228 157 D HA -0.202 4.437 4.640 -0.002 0.000 0.203 157 D C 1.624 177.992 176.300 0.112 0.000 0.988 157 D CA 1.561 55.600 54.000 0.065 0.000 0.864 157 D CB -0.112 40.786 40.800 0.164 0.000 0.928 157 D HN 0.434 nan 8.370 nan 0.000 0.469 158 N N -0.083 118.649 118.700 0.054 0.000 2.173 158 N HA -0.042 4.696 4.740 -0.002 0.000 0.184 158 N C 1.735 177.242 175.510 -0.006 0.000 1.025 158 N CA 1.573 54.655 53.050 0.053 0.000 0.852 158 N CB -0.241 38.301 38.487 0.091 0.000 0.998 158 N HN 0.136 nan 8.380 nan 0.000 0.427 159 A N 0.085 122.830 122.820 -0.124 0.000 1.869 159 A HA -0.255 4.064 4.320 -0.002 0.000 0.218 159 A C 2.179 179.641 177.584 -0.203 0.000 1.203 159 A CA 1.858 53.682 52.037 -0.355 0.000 0.638 159 A CB -1.535 17.096 19.000 -0.615 0.000 0.831 159 A HN 0.571 nan 8.150 nan 0.000 0.450 160 Y N 0.221 120.383 120.300 -0.230 0.000 2.081 160 Y HA -0.317 4.234 4.550 0.002 0.000 0.280 160 Y C 2.618 178.409 175.900 -0.182 0.000 1.163 160 Y CA 2.617 60.585 58.100 -0.221 0.000 1.135 160 Y CB -0.683 37.730 38.460 -0.079 0.000 0.970 160 Y HN 0.503 nan 8.280 nan 0.000 0.498 161 Q N -0.148 119.603 119.800 -0.082 0.000 2.181 161 Q HA -0.254 4.085 4.340 -0.002 0.000 0.205 161 Q C 1.661 177.522 176.000 -0.232 0.000 0.980 161 Q CA 2.078 57.786 55.803 -0.157 0.000 0.862 161 Q CB -0.167 28.566 28.738 -0.009 0.000 0.905 161 Q HN 0.578 nan 8.270 nan 0.000 0.429 162 N N -0.194 118.371 118.700 -0.226 0.000 2.250 162 N HA -0.099 4.639 4.740 -0.002 0.000 0.181 162 N C 1.586 176.897 175.510 -0.332 0.000 1.017 162 N CA 1.300 54.188 53.050 -0.270 0.000 0.866 162 N CB -0.187 38.101 38.487 -0.332 0.000 0.985 162 N HN 0.345 nan 8.380 nan 0.000 0.429 163 M N 0.283 119.653 119.600 -0.383 0.000 2.080 163 M HA -0.158 4.321 4.480 -0.002 0.000 0.260 163 M C 1.243 177.297 176.300 -0.410 0.000 1.068 163 M CA 1.567 56.611 55.300 -0.427 0.000 1.109 163 M CB -0.171 32.132 32.600 -0.495 0.000 1.342 163 M HN -0.060 nan 8.290 nan 0.000 0.405 164 V N 0.732 120.379 119.914 -0.444 0.000 2.244 164 V HA -0.223 3.895 4.120 -0.002 0.000 0.244 164 V C 2.411 178.364 176.094 -0.235 0.000 1.042 164 V CA 2.407 64.499 62.300 -0.348 0.000 1.006 164 V CB -1.387 30.181 31.823 -0.425 0.000 0.641 164 V HN 0.600 nan 8.190 nan 0.000 0.446 165 T N -0.093 114.326 114.554 -0.225 0.000 2.614 165 T HA -0.186 4.163 4.350 -0.002 0.000 0.263 165 T C 1.686 176.290 174.700 -0.160 0.000 1.055 165 T CA 1.790 63.793 62.100 -0.161 0.000 1.162 165 T CB -0.450 68.334 68.868 -0.140 0.000 0.863 165 T HN 0.436 nan 8.240 nan 0.000 0.414 166 D N 0.334 120.617 120.400 -0.195 0.000 2.264 166 D HA -0.053 4.586 4.640 -0.002 0.000 0.208 166 D C 1.035 177.195 176.300 -0.233 0.000 0.966 166 D CA 0.481 54.370 54.000 -0.185 0.000 0.864 166 D CB -0.201 40.486 40.800 -0.188 0.000 0.933 166 D HN 0.228 nan 8.370 nan 0.000 0.499 167 R N 0.119 120.427 120.500 -0.319 0.000 3.144 167 R HA -0.192 4.147 4.340 -0.002 0.000 0.255 167 R C -0.825 174.983 176.300 -0.819 0.000 0.949 167 R CA 1.306 57.121 56.100 -0.475 0.000 0.649 167 R CB -2.001 28.171 30.300 -0.214 0.000 1.229 167 R HN 0.326 nan 8.270 nan 0.000 0.440 168 E N 1.201 120.885 120.200 -0.861 0.000 2.392 168 E HA 0.287 4.636 4.350 -0.002 0.000 0.281 168 E C -1.054 175.277 176.600 -0.449 0.000 1.088 168 E CA -0.265 55.727 56.400 -0.679 0.000 0.850 168 E CB 0.316 29.824 29.700 -0.320 0.000 1.267 168 E HN 0.422 nan 8.360 nan 0.000 0.438 169 N N 2.901 121.424 118.700 -0.296 0.000 2.411 169 N HA 0.026 4.765 4.740 -0.002 0.000 0.282 169 N C -0.589 174.760 175.510 -0.268 0.000 1.322 169 N CA 0.197 53.035 53.050 -0.354 0.000 0.943 169 N CB 0.496 38.771 38.487 -0.354 0.000 1.266 169 N HN 0.454 nan 8.380 nan 0.000 0.486 170 Q N 1.276 120.910 119.800 -0.278 0.000 2.296 170 Q HA 0.211 4.550 4.340 -0.002 0.000 0.257 170 Q C 0.266 176.207 176.000 -0.098 0.000 0.942 170 Q CA -0.310 55.416 55.803 -0.128 0.000 0.939 170 Q CB 1.286 29.891 28.738 -0.221 0.000 1.198 170 Q HN 0.559 nan 8.270 nan 0.000 0.429 171 S N 0.104 115.822 115.700 0.031 0.000 2.638 171 S HA 0.510 4.979 4.470 -0.002 0.000 0.298 171 S C -0.108 174.524 174.600 0.053 0.000 1.111 171 S CA -0.841 57.412 58.200 0.087 0.000 1.027 171 S CB 1.816 65.092 63.200 0.127 0.000 1.064 171 S HN 0.716 nan 8.310 nan 0.000 0.525 172 C N 3.390 122.735 119.300 0.075 0.000 3.465 172 C HA 0.457 4.916 4.460 -0.002 0.000 0.193 172 C C -0.733 174.296 174.990 0.065 0.000 1.515 172 C CA -0.846 58.187 59.018 0.025 0.000 1.340 172 C CB -2.377 25.365 27.740 0.002 0.000 1.928 172 C HN 0.848 nan 8.230 nan 0.000 0.510 173 L N 3.064 124.302 121.223 0.025 0.000 2.615 173 L HA 0.257 4.595 4.340 -0.002 0.000 0.271 173 L C 0.211 177.176 176.870 0.159 0.000 1.183 173 L CA 1.031 55.935 54.840 0.107 0.000 0.933 173 L CB -0.425 41.714 42.059 0.134 0.000 1.199 173 L HN 0.370 nan 8.230 nan 0.000 0.487 174 I N 3.488 124.156 120.570 0.162 0.000 2.328 174 I HA 0.360 4.529 4.170 -0.002 0.000 0.287 174 I C 0.399 176.602 176.117 0.143 0.000 1.012 174 I CA -0.051 61.347 61.300 0.164 0.000 1.195 174 I CB 1.119 39.198 38.000 0.132 0.000 1.350 174 I HN 0.713 nan 8.210 nan 0.000 0.464 175 T N 3.584 118.229 114.554 0.152 0.000 2.876 175 T HA 0.894 5.243 4.350 -0.002 0.000 0.277 175 T C 0.050 174.789 174.700 0.066 0.000 0.997 175 T CA -0.692 61.472 62.100 0.107 0.000 0.966 175 T CB 1.954 70.894 68.868 0.119 0.000 1.312 175 T HN 0.915 nan 8.240 nan 0.000 0.598 176 G N -0.858 107.968 108.800 0.044 0.000 2.348 176 G HA2 0.453 4.412 3.960 -0.002 0.000 0.606 176 G HA3 0.453 4.412 3.960 -0.002 0.000 0.606 176 G C -0.603 174.317 174.900 0.033 0.000 1.466 176 G CA -0.162 44.953 45.100 0.025 0.000 0.950 176 G HN 0.888 nan 8.290 nan 0.000 0.657 177 E N -0.002 120.223 120.200 0.040 0.000 2.470 177 E HA 0.597 4.946 4.350 -0.002 0.000 0.258 177 E C 1.077 177.716 176.600 0.064 0.000 1.295 177 E CA 0.622 57.065 56.400 0.071 0.000 1.032 177 E CB 0.276 30.034 29.700 0.097 0.000 0.980 177 E HN 2.114 nan 8.360 nan 0.000 0.500 178 S N -0.392 115.361 115.700 0.088 0.000 2.549 178 S HA 0.445 4.914 4.470 -0.002 0.000 0.279 178 S C 1.231 175.865 174.600 0.056 0.000 1.321 178 S CA 0.983 59.220 58.200 0.061 0.000 1.054 178 S CB -0.318 62.918 63.200 0.059 0.000 0.899 178 S HN 2.184 nan 8.310 nan 0.000 0.497 179 G N 3.032 111.858 108.800 0.044 0.000 2.221 179 G HA2 -0.173 3.786 3.960 -0.002 0.000 0.265 179 G HA3 -0.173 3.786 3.960 -0.002 0.000 0.265 179 G C 0.613 175.533 174.900 0.034 0.000 1.041 179 G CA 0.249 45.382 45.100 0.055 0.000 0.807 179 G HN 1.310 nan 8.290 nan 0.000 0.502 180 A N -1.135 121.688 122.820 0.005 0.000 2.147 180 A HA 0.618 4.936 4.320 -0.002 0.000 0.211 180 A C 2.411 179.952 177.584 -0.070 0.000 1.160 180 A CA 1.822 53.841 52.037 -0.029 0.000 0.781 180 A CB -0.022 18.970 19.000 -0.012 0.000 0.842 180 A HN 2.423 nan 8.150 nan 0.000 0.475 181 G N 0.232 109.001 108.800 -0.052 0.000 2.192 181 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.193 181 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.193 181 G C 0.996 175.886 174.900 -0.016 0.000 0.999 181 G CA 0.667 45.731 45.100 -0.060 0.000 0.659 181 G HN 0.719 nan 8.290 nan 0.000 0.503 182 K N -0.201 120.200 120.400 0.001 0.000 2.026 182 K HA -0.052 4.267 4.320 -0.002 0.000 0.208 182 K C 2.101 178.714 176.600 0.021 0.000 1.048 182 K CA 1.919 58.221 56.287 0.025 0.000 0.929 182 K CB -0.830 31.689 32.500 0.031 0.000 0.713 182 K HN 0.170 nan 8.250 nan 0.000 0.439 183 T N 1.519 116.076 114.554 0.005 0.000 2.607 183 T HA -0.231 4.117 4.350 -0.002 0.000 0.267 183 T C 1.853 176.560 174.700 0.011 0.000 1.049 183 T CA 2.129 64.232 62.100 0.006 0.000 1.162 183 T CB -0.287 68.585 68.868 0.006 0.000 0.863 183 T HN 0.557 nan 8.240 nan 0.000 0.424 184 E N 0.549 120.748 120.200 -0.001 0.000 2.204 184 E HA -0.146 4.203 4.350 -0.002 0.000 0.195 184 E C 2.169 178.758 176.600 -0.018 0.000 0.990 184 E CA 0.871 57.258 56.400 -0.021 0.000 0.821 184 E CB -0.001 29.672 29.700 -0.045 0.000 0.750 184 E HN 0.304 nan 8.360 nan 0.000 0.477 185 N N -0.126 118.584 118.700 0.016 0.000 2.109 185 N HA -0.150 4.589 4.740 -0.002 0.000 0.188 185 N C 2.080 177.632 175.510 0.071 0.000 1.034 185 N CA 2.126 55.215 53.050 0.066 0.000 0.846 185 N CB -0.925 37.621 38.487 0.098 0.000 1.010 185 N HN 0.420 nan 8.380 nan 0.000 0.425 186 T N 1.683 116.273 114.554 0.060 0.000 2.802 186 T HA -0.202 4.146 4.350 -0.002 0.000 0.269 186 T C 1.916 176.642 174.700 0.042 0.000 1.062 186 T CA 1.435 63.571 62.100 0.059 0.000 1.133 186 T CB -0.204 68.697 68.868 0.055 0.000 0.852 186 T HN 0.205 nan 8.240 nan 0.000 0.485 187 K N 0.362 120.779 120.400 0.027 0.000 1.975 187 K HA -0.016 4.303 4.320 -0.002 0.000 0.210 187 K C 2.367 178.980 176.600 0.021 0.000 1.041 187 K CA 0.970 57.264 56.287 0.011 0.000 0.942 187 K CB -0.022 32.473 32.500 -0.009 0.000 0.729 187 K HN 0.104 nan 8.250 nan 0.000 0.439 188 K N 1.044 121.457 120.400 0.021 0.000 2.366 188 K HA -0.138 4.181 4.320 -0.002 0.000 0.202 188 K C 1.929 178.618 176.600 0.148 0.000 1.045 188 K CA 0.937 57.279 56.287 0.093 0.000 0.934 188 K CB -0.403 32.162 32.500 0.107 0.000 0.746 188 K HN 0.063 nan 8.250 nan 0.000 0.470 189 V N 0.768 120.741 119.914 0.098 0.000 2.599 189 V HA -0.094 4.024 4.120 -0.002 0.000 0.245 189 V C 2.196 178.320 176.094 0.050 0.000 1.046 189 V CA 0.698 63.034 62.300 0.059 0.000 1.065 189 V CB -0.163 31.690 31.823 0.050 0.000 0.703 189 V HN 0.110 nan 8.190 nan 0.000 0.464 190 I N -0.439 120.152 120.570 0.036 0.000 2.233 190 I HA -0.106 4.063 4.170 -0.002 0.000 0.243 190 I C 2.148 178.260 176.117 -0.008 0.000 1.093 190 I CA 1.683 62.989 61.300 0.009 0.000 1.380 190 I CB -0.668 37.329 38.000 -0.006 0.000 1.067 190 I HN 0.318 nan 8.210 nan 0.000 0.413 191 M N -0.970 118.626 119.600 -0.006 0.000 2.700 191 M HA -0.169 4.309 4.480 -0.002 0.000 0.249 191 M C 1.511 177.769 176.300 -0.071 0.000 1.082 191 M CA 1.028 56.307 55.300 -0.035 0.000 1.077 191 M CB -0.549 32.039 32.600 -0.021 0.000 1.477 191 M HN 0.216 nan 8.290 nan 0.000 0.529 192 Y N -0.978 119.194 120.300 -0.214 0.000 2.488 192 Y HA 0.133 4.683 4.550 -0.000 0.000 0.262 192 Y C 1.570 177.317 175.900 -0.255 0.000 1.108 192 Y CA 0.817 58.708 58.100 -0.349 0.000 1.299 192 Y CB -0.280 37.875 38.460 -0.508 0.000 1.231 192 Y HN -0.019 nan 8.280 nan 0.000 0.507 193 L N 0.736 122.062 121.223 0.171 0.000 2.151 193 L HA -0.420 3.919 4.340 -0.002 0.000 0.219 193 L C 2.576 179.377 176.870 -0.115 0.000 1.083 193 L CA 1.646 56.522 54.840 0.060 0.000 0.782 193 L CB -1.249 40.870 42.059 0.100 0.000 0.891 193 L HN 0.490 nan 8.230 nan 0.000 0.439 194 A N 0.426 123.167 122.820 -0.132 0.000 1.851 194 A HA -0.271 4.048 4.320 -0.002 0.000 0.216 194 A C 2.647 180.111 177.584 -0.201 0.000 1.195 194 A CA 2.803 54.742 52.037 -0.163 0.000 0.622 194 A CB -0.897 18.022 19.000 -0.134 0.000 0.831 194 A HN 0.379 nan 8.150 nan 0.000 0.444 195 K N -0.529 119.716 120.400 -0.259 0.000 2.362 195 K HA 0.043 4.362 4.320 -0.002 0.000 0.202 195 K C 1.287 177.693 176.600 -0.323 0.000 1.045 195 K CA 1.896 58.000 56.287 -0.304 0.000 0.936 195 K CB -1.234 31.020 32.500 -0.410 0.000 0.747 195 K HN 0.979 nan 8.250 nan 0.000 0.467 196 V N -4.272 115.435 119.914 -0.346 0.000 3.253 196 V HA 0.677 4.796 4.120 -0.002 0.000 0.320 196 V C 0.685 176.615 176.094 -0.273 0.000 1.442 196 V CA -0.046 62.065 62.300 -0.315 0.000 1.097 196 V CB 0.077 31.668 31.823 -0.387 0.000 1.008 196 V HN 0.565 nan 8.190 nan 0.000 0.463 197 A N -0.348 122.354 122.820 -0.195 0.000 3.214 197 A HA 0.517 4.835 4.320 -0.002 0.000 0.203 197 A C -0.225 177.298 177.584 -0.100 0.000 0.960 197 A CA -0.015 51.968 52.037 -0.091 0.000 1.113 197 A CB -0.224 18.754 19.000 -0.037 0.000 1.280 197 A HN 0.361 nan 8.150 nan 0.000 0.573 198 C N -0.760 118.485 119.300 -0.092 0.000 2.365 198 C HA 0.726 5.185 4.460 -0.002 0.000 0.374 198 C C 2.302 177.259 174.990 -0.055 0.000 1.318 198 C CA 0.538 59.504 59.018 -0.087 0.000 2.239 198 C CB 0.999 28.686 27.740 -0.089 0.000 2.144 198 C HN 1.036 nan 8.230 nan 0.000 0.581 199 A N 1.105 123.893 122.820 -0.054 0.000 1.836 199 A HA 0.120 4.439 4.320 -0.002 0.000 0.215 199 A C 0.655 178.224 177.584 -0.024 0.000 1.214 199 A CA 2.643 54.657 52.037 -0.038 0.000 0.636 199 A CB -1.046 17.930 19.000 -0.040 0.000 0.847 199 A HN 1.843 nan 8.150 nan 0.000 0.451 200 V N -5.979 113.919 119.914 -0.026 0.000 2.711 200 V HA 0.816 4.934 4.120 -0.002 0.000 0.304 200 V C -0.391 175.690 176.094 -0.022 0.000 1.097 200 V CA 0.043 62.332 62.300 -0.019 0.000 0.906 200 V CB 0.898 32.712 31.823 -0.015 0.000 1.015 200 V HN 0.813 nan 8.190 nan 0.000 0.427 201 K N 0.934 121.322 120.400 -0.019 0.000 2.592 201 K HA 0.827 5.146 4.320 -0.002 0.000 0.203 201 K C 0.631 177.222 176.600 -0.015 0.000 1.070 201 K CA 0.615 56.889 56.287 -0.022 0.000 1.062 201 K CB 0.675 33.158 32.500 -0.028 0.000 0.814 201 K HN 1.338 nan 8.250 nan 0.000 0.502 202 K N 0.326 120.719 120.400 -0.011 0.000 2.506 202 K HA 0.527 4.846 4.320 -0.002 0.000 0.237 202 K C 0.585 177.181 176.600 -0.007 0.000 1.276 202 K CA 0.921 57.204 56.287 -0.007 0.000 0.753 202 K CB 0.048 32.546 32.500 -0.003 0.000 1.627 202 K HN 0.250 nan 8.250 nan 0.000 0.397 206 E N 0.547 120.741 120.200 -0.009 0.000 1.987 206 E HA 0.122 4.470 4.350 -0.002 0.000 0.214 206 E C 1.889 178.483 176.600 -0.010 0.000 1.012 206 E CA 2.552 58.946 56.400 -0.009 0.000 0.881 206 E CB -0.863 28.833 29.700 -0.008 0.000 0.806 206 E HN 2.142 nan 8.360 nan 0.000 0.516 207 A N 0.326 123.141 122.820 -0.009 0.000 2.916 207 A HA 0.442 4.760 4.320 -0.002 0.000 0.254 207 A C 1.782 179.359 177.584 -0.011 0.000 1.544 207 A CA 1.062 53.093 52.037 -0.010 0.000 1.224 207 A CB -0.799 18.196 19.000 -0.008 0.000 1.012 207 A HN 0.434 nan 8.150 nan 0.000 0.636 208 S N -0.003 115.690 115.700 -0.012 0.000 2.288 208 S HA -0.022 4.447 4.470 -0.002 0.000 0.191 208 S C 0.496 175.087 174.600 -0.015 0.000 1.028 208 S CA 0.455 58.647 58.200 -0.013 0.000 1.030 208 S CB -0.295 62.897 63.200 -0.014 0.000 0.932 208 S HN 0.497 nan 8.310 nan 0.000 0.463 209 D N 2.706 123.096 120.400 -0.017 0.000 2.349 209 D HA 0.163 4.802 4.640 -0.002 0.000 0.266 209 D C 0.346 176.635 176.300 -0.018 0.000 1.293 209 D CA 0.013 54.001 54.000 -0.020 0.000 0.926 209 D CB 0.565 41.352 40.800 -0.023 0.000 1.090 209 D HN 0.332 nan 8.370 nan 0.000 0.502 214 S N 1.499 117.177 115.700 -0.037 0.000 2.546 214 S HA 0.125 4.594 4.470 -0.002 0.000 0.290 214 S C 1.373 175.941 174.600 -0.052 0.000 1.290 214 S CA -0.271 57.902 58.200 -0.044 0.000 1.069 214 S CB 1.482 64.655 63.200 -0.044 0.000 0.846 214 S HN 0.471 nan 8.310 nan 0.000 0.495 215 L N 3.122 124.310 121.223 -0.059 0.000 2.187 215 L HA -0.109 4.229 4.340 -0.002 0.000 0.213 215 L C 1.947 178.771 176.870 -0.076 0.000 1.100 215 L CA 1.791 56.590 54.840 -0.068 0.000 0.765 215 L CB -0.600 41.415 42.059 -0.074 0.000 0.904 215 L HN 0.565 nan 8.230 nan 0.000 0.437 216 E N -0.260 119.894 120.200 -0.076 0.000 2.031 216 E HA -0.193 4.155 4.350 -0.002 0.000 0.193 216 E C 1.870 178.429 176.600 -0.068 0.000 0.994 216 E CA 1.449 57.801 56.400 -0.080 0.000 0.800 216 E CB -0.492 29.160 29.700 -0.080 0.000 0.752 216 E HN 0.458 nan 8.360 nan 0.000 0.447 217 D N 0.268 120.633 120.400 -0.058 0.000 2.190 217 D HA -0.195 4.444 4.640 -0.002 0.000 0.200 217 D C 1.915 178.184 176.300 -0.052 0.000 0.992 217 D CA 1.133 55.104 54.000 -0.049 0.000 0.854 217 D CB -0.205 40.571 40.800 -0.041 0.000 0.936 217 D HN 0.205 nan 8.370 nan 0.000 0.462 218 Q N -0.207 119.557 119.800 -0.059 0.000 2.008 218 Q HA 0.072 4.411 4.340 -0.002 0.000 0.196 218 Q C 2.402 178.357 176.000 -0.075 0.000 0.973 218 Q CA 0.426 56.190 55.803 -0.066 0.000 0.826 218 Q CB -0.015 28.682 28.738 -0.068 0.000 0.894 218 Q HN 0.235 nan 8.270 nan 0.000 0.439 219 I N 0.613 121.136 120.570 -0.079 0.000 2.300 219 I HA -0.319 3.850 4.170 -0.002 0.000 0.252 219 I C 1.589 177.665 176.117 -0.068 0.000 1.119 219 I CA 0.748 61.999 61.300 -0.082 0.000 1.384 219 I CB -0.289 37.658 38.000 -0.088 0.000 1.062 219 I HN 0.312 nan 8.210 nan 0.000 0.426 220 I N -0.091 120.442 120.570 -0.061 0.000 2.260 220 I HA -0.168 4.000 4.170 -0.002 0.000 0.237 220 I C 2.414 178.502 176.117 -0.049 0.000 1.075 220 I CA 1.262 62.533 61.300 -0.049 0.000 1.376 220 I CB -1.535 36.438 38.000 -0.045 0.000 1.107 220 I HN 0.241 nan 8.210 nan 0.000 0.420 221 Q N 0.843 120.611 119.800 -0.053 0.000 2.522 221 Q HA -0.117 4.222 4.340 -0.002 0.000 0.216 221 Q C 2.122 178.071 176.000 -0.086 0.000 0.986 221 Q CA 1.221 56.989 55.803 -0.058 0.000 0.901 221 Q CB -0.493 28.214 28.738 -0.052 0.000 0.954 221 Q HN 0.551 nan 8.270 nan 0.000 0.502 222 A N 1.005 123.771 122.820 -0.090 0.000 1.854 222 A HA -0.174 4.145 4.320 -0.002 0.000 0.214 222 A C 1.838 179.364 177.584 -0.097 0.000 1.192 222 A CA 1.239 53.203 52.037 -0.121 0.000 0.611 222 A CB -0.517 18.413 19.000 -0.117 0.000 0.832 222 A HN 0.331 nan 8.150 nan 0.000 0.442 223 N N 0.420 119.093 118.700 -0.044 0.000 2.144 223 N HA -0.154 4.585 4.740 -0.002 0.000 0.195 223 N C -1.038 174.486 175.510 0.024 0.000 1.006 223 N CA 2.285 55.341 53.050 0.011 0.000 0.880 223 N CB -1.291 37.209 38.487 0.022 0.000 1.018 223 N HN 0.384 nan 8.380 nan 0.000 0.443 224 P HA -0.081 nan 4.420 nan 0.000 0.214 224 P C 1.622 178.911 177.300 -0.018 0.000 1.162 224 P CA 1.137 64.238 63.100 0.002 0.000 0.874 224 P CB -0.078 31.609 31.700 -0.023 0.000 0.784 225 V N -2.839 116.971 119.914 -0.174 0.000 2.546 225 V HA -0.227 3.891 4.120 -0.002 0.000 0.254 225 V C 2.085 178.117 176.094 -0.104 0.000 1.076 225 V CA 1.769 63.874 62.300 -0.325 0.000 1.087 225 V CB -1.791 29.615 31.823 -0.695 0.000 0.674 225 V HN 0.025 nan 8.190 nan 0.000 0.470 226 L N -0.324 120.876 121.223 -0.039 0.000 2.071 226 L HA 0.016 4.354 4.340 -0.002 0.000 0.201 226 L C 2.863 179.900 176.870 0.278 0.000 1.076 226 L CA 1.509 56.391 54.840 0.069 0.000 0.755 226 L CB -0.629 41.465 42.059 0.059 0.000 0.915 226 L HN 0.220 nan 8.230 nan 0.000 0.445 227 E N 0.397 120.762 120.200 0.276 0.000 2.219 227 E HA -0.263 4.085 4.350 -0.002 0.000 0.198 227 E C 2.091 178.939 176.600 0.413 0.000 0.998 227 E CA 1.097 57.710 56.400 0.354 0.000 0.818 227 E CB -0.112 29.744 29.700 0.260 0.000 0.741 227 E HN 0.495 nan 8.360 nan 0.000 0.477 228 A N -0.001 123.032 122.820 0.355 0.000 2.014 228 A HA -0.133 4.186 4.320 -0.002 0.000 0.218 228 A C 1.274 179.006 177.584 0.247 0.000 1.163 228 A CA 1.094 53.336 52.037 0.342 0.000 0.652 228 A CB -0.163 19.030 19.000 0.321 0.000 0.808 228 A HN 0.254 nan 8.150 nan 0.000 0.449 229 Y N -1.866 118.548 120.300 0.189 0.000 2.430 229 Y HA 0.303 4.850 4.550 -0.004 0.000 0.248 229 Y C 2.281 178.175 175.900 -0.011 0.000 1.108 229 Y CA -0.070 58.120 58.100 0.150 0.000 1.264 229 Y CB 0.060 38.571 38.460 0.085 0.000 1.172 229 Y HN 0.271 nan 8.280 nan 0.000 0.520 230 G N -0.840 108.138 108.800 0.296 0.000 2.850 230 G HA2 0.037 3.996 3.960 -0.002 0.000 0.211 230 G HA3 0.037 3.996 3.960 -0.002 0.000 0.211 230 G C 0.364 175.614 174.900 0.583 0.000 1.124 230 G CA -0.025 45.211 45.100 0.227 0.000 0.769 230 G HN 0.079 nan 8.290 nan 0.000 0.535 231 N N 0.336 119.329 118.700 0.489 0.000 2.502 231 N HA 0.804 5.543 4.740 -0.002 0.000 0.280 231 N C -0.083 175.397 175.510 -0.050 0.000 1.223 231 N CA 0.269 53.492 53.050 0.288 0.000 0.966 231 N CB 1.754 40.453 38.487 0.353 0.000 1.203 231 N HN 0.323 nan 8.380 nan 0.000 0.565 232 A N -1.703 120.950 122.820 -0.278 0.000 2.456 232 A HA 0.669 4.987 4.320 -0.002 0.000 0.294 232 A C -1.525 175.932 177.584 -0.211 0.000 1.057 232 A CA -0.629 51.117 52.037 -0.485 0.000 0.623 232 A CB -0.187 18.544 19.000 -0.448 0.000 1.338 232 A HN 0.640 nan 8.150 nan 0.000 0.464 233 K N 0.159 120.439 120.400 -0.201 0.000 2.281 233 K HA 0.753 5.071 4.320 -0.002 0.000 0.272 233 K C -0.093 176.427 176.600 -0.133 0.000 1.048 233 K CA 0.252 56.478 56.287 -0.102 0.000 0.898 233 K CB 1.094 33.535 32.500 -0.098 0.000 1.128 233 K HN 1.544 nan 8.250 nan 0.000 0.460 234 T N -0.223 114.275 114.554 -0.094 0.000 2.870 234 T HA 0.326 4.675 4.350 -0.002 0.000 0.277 234 T C 1.538 176.193 174.700 -0.075 0.000 1.000 234 T CA 0.535 62.575 62.100 -0.100 0.000 0.982 234 T CB 1.185 69.999 68.868 -0.089 0.000 1.249 234 T HN 0.534 nan 8.240 nan 0.000 0.589 235 T N 1.501 116.008 114.554 -0.079 0.000 2.803 235 T HA 0.012 4.361 4.350 -0.002 0.000 0.269 235 T C 1.579 176.252 174.700 -0.045 0.000 1.052 235 T CA 1.784 63.846 62.100 -0.065 0.000 1.136 235 T CB -0.274 68.550 68.868 -0.073 0.000 0.864 235 T HN 0.646 nan 8.240 nan 0.000 0.467 236 R N 0.987 121.464 120.500 -0.037 0.000 3.311 236 R HA 0.501 4.840 4.340 -0.002 0.000 0.332 236 R C 0.514 176.819 176.300 0.008 0.000 1.317 236 R CA 0.434 56.530 56.100 -0.006 0.000 1.192 236 R CB -1.772 28.529 30.300 0.002 0.000 1.454 236 R HN 0.605 nan 8.270 nan 0.000 0.605 237 N N 0.376 119.074 118.700 -0.003 0.000 2.576 237 N HA 0.159 4.898 4.740 -0.002 0.000 0.307 237 N C 0.562 176.099 175.510 0.045 0.000 1.213 237 N CA 0.671 53.726 53.050 0.007 0.000 1.156 237 N CB -1.123 37.357 38.487 -0.012 0.000 1.463 237 N HN 1.075 nan 8.380 nan 0.000 0.504 238 N N -0.616 118.119 118.700 0.058 0.000 2.386 238 N HA 0.527 5.266 4.740 -0.002 0.000 0.291 238 N C 1.072 176.646 175.510 0.108 0.000 1.309 238 N CA 0.237 53.335 53.050 0.079 0.000 0.948 238 N CB -0.324 38.205 38.487 0.070 0.000 1.083 238 N HN 1.036 nan 8.380 nan 0.000 0.527 239 N N -0.411 118.373 118.700 0.140 0.000 3.303 239 N HA 0.524 5.263 4.740 -0.002 0.000 0.304 239 N C 0.721 176.336 175.510 0.175 0.000 1.302 239 N CA 0.435 53.645 53.050 0.267 0.000 1.213 239 N CB -1.319 37.337 38.487 0.281 0.000 1.481 239 N HN 1.251 nan 8.380 nan 0.000 0.546 240 S N 0.255 116.012 115.700 0.096 0.000 3.897 240 S HA 0.109 4.577 4.470 -0.002 0.000 0.466 240 S C 1.054 175.696 174.600 0.071 0.000 1.095 240 S CA 0.304 58.534 58.200 0.050 0.000 1.179 240 S CB -0.691 62.512 63.200 0.005 0.000 0.777 240 S HN 0.666 nan 8.310 nan 0.000 0.521 241 S N 2.981 118.692 115.700 0.018 0.000 4.027 241 S HA 0.119 4.588 4.470 -0.002 0.000 0.188 241 S C 1.241 175.786 174.600 -0.093 0.000 1.230 241 S CA -0.365 57.786 58.200 -0.082 0.000 0.920 241 S CB -0.115 62.923 63.200 -0.269 0.000 1.577 241 S HN 0.594 nan 8.310 nan 0.000 0.445 242 R N 1.697 122.271 120.500 0.124 0.000 2.446 242 R HA 0.029 4.368 4.340 -0.002 0.000 0.209 242 R C -0.105 176.318 176.300 0.205 0.000 1.175 242 R CA 0.007 56.205 56.100 0.163 0.000 1.154 242 R CB -1.320 29.140 30.300 0.267 0.000 0.824 242 R HN 0.633 nan 8.270 nan 0.000 0.485 243 F N -5.030 114.932 119.950 0.020 0.000 2.668 243 F HA 0.700 5.225 4.527 -0.004 0.000 0.309 243 F C 0.013 175.854 175.800 0.068 0.000 1.117 243 F CA -1.801 56.190 58.000 -0.014 0.000 0.951 243 F CB 0.712 39.617 39.000 -0.158 0.000 1.323 243 F HN -0.155 nan 8.300 nan 0.000 0.451 244 G N 0.505 109.353 108.800 0.081 0.000 2.389 244 G HA2 0.665 4.624 3.960 -0.002 0.000 0.328 244 G HA3 0.665 4.624 3.960 -0.002 0.000 0.328 244 G C -1.627 173.432 174.900 0.266 0.000 1.133 244 G CA -0.463 44.680 45.100 0.072 0.000 0.891 244 G HN 1.022 nan 8.290 nan 0.000 0.485 245 K N 1.120 121.639 120.400 0.199 0.000 2.507 245 K HA 0.596 4.915 4.320 -0.002 0.000 0.252 245 K C -1.462 175.351 176.600 0.355 0.000 0.943 245 K CA -0.914 55.549 56.287 0.294 0.000 0.808 245 K CB 1.553 34.257 32.500 0.340 0.000 1.142 245 K HN 0.670 nan 8.250 nan 0.000 0.426 246 F N 3.346 123.415 119.950 0.198 0.000 2.411 246 F HA 0.597 5.124 4.527 -0.001 0.000 0.355 246 F C -0.005 175.852 175.800 0.095 0.000 1.117 246 F CA -1.737 56.396 58.000 0.223 0.000 1.139 246 F CB 0.712 39.931 39.000 0.365 0.000 1.120 246 F HN 0.513 nan 8.300 nan 0.000 0.493 247 I N 8.158 128.536 120.570 -0.320 0.000 2.555 247 I HA 0.361 4.530 4.170 -0.002 0.000 0.275 247 I C -0.320 175.472 176.117 -0.542 0.000 1.082 247 I CA -0.588 60.475 61.300 -0.395 0.000 1.167 247 I CB 0.018 37.936 38.000 -0.137 0.000 1.312 247 I HN 0.613 nan 8.210 nan 0.000 0.493 248 R N 6.011 126.026 120.500 -0.809 0.000 2.784 248 R HA 0.413 4.752 4.340 -0.002 0.000 0.266 248 R C -0.609 175.438 176.300 -0.422 0.000 1.044 248 R CA -0.060 55.670 56.100 -0.616 0.000 1.151 248 R CB 0.761 30.512 30.300 -0.915 0.000 1.037 248 R HN 0.492 nan 8.270 nan 0.000 0.478 249 I N 1.977 122.404 120.570 -0.237 0.000 2.534 249 I HA 0.232 4.401 4.170 -0.002 0.000 0.288 249 I C -0.445 175.665 176.117 -0.012 0.000 1.077 249 I CA -0.621 60.593 61.300 -0.144 0.000 1.051 249 I CB 1.849 39.891 38.000 0.069 0.000 1.234 249 I HN 0.532 nan 8.210 nan 0.000 0.425 250 H N 5.895 125.045 119.070 0.134 0.000 2.457 250 H HA 0.536 5.091 4.556 -0.002 0.000 0.335 250 H C -0.902 174.515 175.328 0.148 0.000 1.115 250 H CA -0.274 55.926 56.048 0.254 0.000 1.219 250 H CB 1.847 31.667 29.762 0.096 0.000 1.471 250 H HN 0.240 nan 8.280 nan 0.000 0.491 251 F N -0.187 119.908 119.950 0.241 0.000 2.594 251 F HA 0.546 5.072 4.527 -0.001 0.000 0.335 251 F C 1.153 177.023 175.800 0.117 0.000 1.058 251 F CA -0.854 57.247 58.000 0.168 0.000 0.981 251 F CB 1.126 40.242 39.000 0.193 0.000 1.289 251 F HN 0.523 nan 8.300 nan 0.000 0.490 252 G N -0.206 108.763 108.800 0.282 0.000 2.491 252 G HA2 0.512 4.470 3.960 -0.002 0.000 0.327 252 G HA3 0.512 4.470 3.960 -0.002 0.000 0.327 252 G C -2.494 172.495 174.900 0.147 0.000 1.189 252 G CA -1.717 43.476 45.100 0.154 0.000 0.956 252 G HN 0.378 nan 8.290 nan 0.000 0.491 253 P HA 0.043 nan 4.420 nan 0.000 0.261 253 P C 1.138 178.478 177.300 0.067 0.000 1.297 253 P CA 1.257 64.396 63.100 0.064 0.000 0.757 253 P CB 0.220 31.938 31.700 0.030 0.000 1.149 254 T N -7.000 107.609 114.554 0.091 0.000 2.986 254 T HA 0.374 4.723 4.350 -0.002 0.000 0.264 254 T C 1.177 175.951 174.700 0.125 0.000 0.964 254 T CA 0.334 62.485 62.100 0.085 0.000 0.895 254 T CB -0.104 68.808 68.868 0.073 0.000 1.163 254 T HN 0.115 nan 8.240 nan 0.000 0.517 255 G N 0.623 109.533 108.800 0.183 0.000 2.356 255 G HA2 0.333 4.291 3.960 -0.002 0.000 0.233 255 G HA3 0.333 4.291 3.960 -0.002 0.000 0.233 255 G C -0.151 175.030 174.900 0.469 0.000 1.105 255 G CA 0.021 45.295 45.100 0.291 0.000 0.861 255 G HN 1.052 nan 8.290 nan 0.000 0.493 256 K N 0.175 120.800 120.400 0.376 0.000 2.464 256 K HA 0.849 5.168 4.320 -0.002 0.000 0.253 256 K C 0.342 176.950 176.600 0.013 0.000 0.933 256 K CA -0.632 55.780 56.287 0.209 0.000 0.801 256 K CB 1.238 33.797 32.500 0.098 0.000 1.271 256 K HN 0.826 nan 8.250 nan 0.000 0.430 257 I N 2.628 123.041 120.570 -0.261 0.000 2.845 257 I HA -0.010 4.159 4.170 -0.002 0.000 0.290 257 I C 1.509 177.494 176.117 -0.220 0.000 1.202 257 I CA 0.461 61.470 61.300 -0.486 0.000 1.406 257 I CB 0.702 38.447 38.000 -0.426 0.000 1.383 257 I HN 0.927 nan 8.210 nan 0.000 0.549 258 A N 5.976 128.699 122.820 -0.163 0.000 2.054 258 A HA 0.595 4.914 4.320 -0.002 0.000 0.221 258 A C 0.952 178.500 177.584 -0.059 0.000 1.587 258 A CA 0.864 52.867 52.037 -0.057 0.000 0.664 258 A CB -0.418 18.590 19.000 0.012 0.000 1.248 258 A HN 0.703 nan 8.150 nan 0.000 0.527 259 G N -2.699 106.095 108.800 -0.010 0.000 2.798 259 G HA2 0.694 4.652 3.960 -0.002 0.000 0.286 259 G HA3 0.694 4.652 3.960 -0.002 0.000 0.286 259 G C -0.736 174.188 174.900 0.040 0.000 1.389 259 G CA 0.098 45.197 45.100 -0.001 0.000 0.894 259 G HN 1.245 nan 8.290 nan 0.000 0.488 260 A N -0.719 122.104 122.820 0.006 0.000 2.525 260 A HA 0.969 5.288 4.320 -0.002 0.000 0.291 260 A C -1.703 175.846 177.584 -0.058 0.000 1.268 260 A CA 0.110 52.111 52.037 -0.062 0.000 0.712 260 A CB 1.990 20.913 19.000 -0.128 0.000 1.320 260 A HN 1.448 nan 8.150 nan 0.000 0.456 261 D N -1.962 118.353 120.400 -0.143 0.000 2.728 261 D HA 0.514 5.153 4.640 -0.002 0.000 0.249 261 D C -1.256 174.933 176.300 -0.184 0.000 1.225 261 D CA -0.300 53.614 54.000 -0.142 0.000 0.748 261 D CB 0.234 40.973 40.800 -0.100 0.000 1.326 261 D HN 0.446 nan 8.370 nan 0.000 0.426 262 I N -0.260 120.214 120.570 -0.161 0.000 3.076 262 I HA 0.717 4.886 4.170 -0.002 0.000 0.313 262 I C -0.716 175.326 176.117 -0.124 0.000 1.053 262 I CA -0.263 60.952 61.300 -0.143 0.000 1.048 262 I CB 1.385 39.300 38.000 -0.141 0.000 1.264 262 I HN 0.416 nan 8.210 nan 0.000 0.498 263 E N 1.255 121.400 120.200 -0.091 0.000 2.677 263 E HA 0.215 4.563 4.350 -0.002 0.000 0.330 263 E C -1.484 174.973 176.600 -0.237 0.000 0.933 263 E CA -0.263 56.063 56.400 -0.123 0.000 0.797 263 E CB 1.472 31.185 29.700 0.022 0.000 1.326 263 E HN 0.650 nan 8.360 nan 0.000 0.404 264 T N 0.355 114.741 114.554 -0.281 0.000 2.942 264 T HA 0.818 5.167 4.350 -0.002 0.000 0.289 264 T C -0.790 173.645 174.700 -0.442 0.000 1.044 264 T CA -0.414 61.575 62.100 -0.186 0.000 1.023 264 T CB 1.137 70.183 68.868 0.297 0.000 1.123 264 T HN 0.265 nan 8.240 nan 0.000 0.512 265 Y N 0.877 121.360 120.300 0.305 0.000 2.442 265 Y HA 0.578 5.126 4.550 -0.002 0.000 0.344 265 Y C 0.030 176.016 175.900 0.143 0.000 0.976 265 Y CA -1.879 56.353 58.100 0.220 0.000 1.040 265 Y CB 1.453 40.040 38.460 0.211 0.000 1.228 265 Y HN 0.799 nan 8.280 nan 0.000 0.451 266 L N 3.785 125.124 121.223 0.193 0.000 3.290 266 L HA -0.247 4.092 4.340 -0.002 0.000 0.575 266 L C -0.958 175.949 176.870 0.062 0.000 1.005 266 L CA 0.251 55.111 54.840 0.033 0.000 1.235 266 L CB -0.702 41.289 42.059 -0.114 0.000 1.196 266 L HN 0.502 nan 8.230 nan 0.000 0.640 267 L N 3.827 125.064 121.223 0.022 0.000 2.325 267 L HA 0.320 4.659 4.340 -0.002 0.000 0.279 267 L C 1.030 177.911 176.870 0.018 0.000 1.054 267 L CA 0.093 54.922 54.840 -0.018 0.000 0.804 267 L CB 1.378 43.273 42.059 -0.273 0.000 1.200 267 L HN 0.309 nan 8.230 nan 0.000 0.436 268 E N 4.048 124.302 120.200 0.089 0.000 2.778 268 E HA -0.106 4.243 4.350 -0.002 0.000 0.318 268 E C 0.984 177.647 176.600 0.105 0.000 1.309 268 E CA 0.067 56.523 56.400 0.094 0.000 1.419 268 E CB -0.012 29.746 29.700 0.096 0.000 1.150 268 E HN 0.523 nan 8.360 nan 0.000 0.492 269 K N 0.771 121.203 120.400 0.053 0.000 2.127 269 K HA -0.224 4.095 4.320 -0.002 0.000 0.208 269 K C 1.789 178.398 176.600 0.016 0.000 1.047 269 K CA 1.770 58.080 56.287 0.038 0.000 0.927 269 K CB -0.040 32.490 32.500 0.052 0.000 0.716 269 K HN 0.266 nan 8.250 nan 0.000 0.450 270 S N 0.014 115.727 115.700 0.022 0.000 2.528 270 S HA -0.132 4.336 4.470 -0.002 0.000 0.244 270 S C 1.754 176.347 174.600 -0.012 0.000 0.982 270 S CA 0.988 59.196 58.200 0.014 0.000 0.953 270 S CB -0.143 63.082 63.200 0.041 0.000 0.754 270 S HN 0.338 nan 8.310 nan 0.000 0.529 271 R N 0.941 121.415 120.500 -0.044 0.000 2.112 271 R HA 0.229 4.568 4.340 -0.002 0.000 0.216 271 R C 1.994 178.168 176.300 -0.209 0.000 1.080 271 R CA 0.866 56.877 56.100 -0.149 0.000 0.996 271 R CB -0.770 29.362 30.300 -0.279 0.000 0.902 271 R HN 0.300 nan 8.270 nan 0.000 0.449 272 V N 0.394 120.201 119.914 -0.178 0.000 2.317 272 V HA -0.300 3.819 4.120 -0.002 0.000 0.251 272 V C 1.941 177.769 176.094 -0.443 0.000 1.065 272 V CA 2.444 64.574 62.300 -0.284 0.000 1.049 272 V CB -0.743 30.948 31.823 -0.220 0.000 0.651 272 V HN 0.670 nan 8.190 nan 0.000 0.450 273 T N -4.660 109.614 114.554 -0.468 0.000 3.040 273 T HA 0.168 4.516 4.350 -0.002 0.000 0.250 273 T C -0.031 174.521 174.700 -0.247 0.000 1.058 273 T CA 0.021 61.681 62.100 -0.734 0.000 0.988 273 T CB 0.029 68.412 68.868 -0.808 0.000 0.993 273 T HN 0.359 nan 8.240 nan 0.000 0.519 274 Y N 1.645 121.792 120.300 -0.255 0.000 2.562 274 Y HA 0.586 5.135 4.550 -0.001 0.000 0.345 274 Y C -1.876 173.951 175.900 -0.121 0.000 1.045 274 Y CA -1.717 56.299 58.100 -0.140 0.000 1.028 274 Y CB 2.008 40.407 38.460 -0.101 0.000 1.297 274 Y HN 0.149 nan 8.280 nan 0.000 0.463 275 Q N 2.970 122.197 119.800 -0.955 0.000 2.406 275 Q HA 0.520 4.859 4.340 -0.002 0.000 0.244 275 Q C -0.602 174.903 176.000 -0.825 0.000 0.884 275 Q CA -0.719 54.667 55.803 -0.696 0.000 0.813 275 Q CB 1.428 29.967 28.738 -0.332 0.000 1.368 275 Q HN 0.828 nan 8.270 nan 0.000 0.439 276 Q N 1.124 120.519 119.800 -0.676 0.000 2.584 276 Q HA 0.570 4.909 4.340 -0.002 0.000 0.235 276 Q C 0.603 176.470 176.000 -0.221 0.000 1.079 276 Q CA 0.293 55.862 55.803 -0.391 0.000 0.977 276 Q CB -0.284 28.343 28.738 -0.186 0.000 1.293 276 Q HN 0.966 nan 8.270 nan 0.000 0.553 277 S N -0.325 115.302 115.700 -0.121 0.000 2.953 277 S HA 0.453 4.922 4.470 -0.002 0.000 0.348 277 S C 1.187 175.735 174.600 -0.086 0.000 1.215 277 S CA 1.072 59.225 58.200 -0.078 0.000 1.019 277 S CB -1.085 62.089 63.200 -0.044 0.000 0.726 277 S HN 2.463 nan 8.310 nan 0.000 0.503 278 A N 2.225 125.001 122.820 -0.074 0.000 2.687 278 A HA -0.082 4.237 4.320 -0.002 0.000 0.299 278 A C 0.285 177.810 177.584 -0.098 0.000 1.497 278 A CA 1.676 53.670 52.037 -0.071 0.000 0.751 278 A CB -1.979 16.987 19.000 -0.056 0.000 1.048 278 A HN 0.946 nan 8.150 nan 0.000 0.464 279 E N -1.594 118.530 120.200 -0.127 0.000 2.456 279 E HA 0.759 5.107 4.350 -0.002 0.000 0.276 279 E C 0.305 176.791 176.600 -0.190 0.000 0.981 279 E CA -1.171 55.130 56.400 -0.164 0.000 0.814 279 E CB 1.491 31.078 29.700 -0.189 0.000 1.382 279 E HN 0.495 nan 8.360 nan 0.000 0.459 280 R N 0.022 120.372 120.500 -0.250 0.000 3.416 280 R HA 0.467 4.806 4.340 -0.002 0.000 0.236 280 R C -0.375 175.785 176.300 -0.234 0.000 1.576 280 R CA -0.894 55.026 56.100 -0.300 0.000 1.011 280 R CB 0.514 30.390 30.300 -0.708 0.000 1.670 280 R HN 0.335 nan 8.270 nan 0.000 0.519 281 N N -0.199 118.449 118.700 -0.088 0.000 2.453 281 N HA 0.239 4.977 4.740 -0.002 0.000 0.290 281 N C -1.177 174.340 175.510 0.013 0.000 1.250 281 N CA -0.536 52.502 53.050 -0.019 0.000 0.815 281 N CB 0.854 39.479 38.487 0.231 0.000 1.381 281 N HN 0.241 nan 8.380 nan 0.000 0.510 282 Y N 2.345 122.764 120.300 0.197 0.000 2.969 282 Y HA -0.109 4.439 4.550 -0.003 0.000 0.339 282 Y C 2.111 178.082 175.900 0.118 0.000 1.272 282 Y CA 0.471 58.602 58.100 0.051 0.000 1.577 282 Y CB -0.042 38.520 38.460 0.170 0.000 1.234 282 Y HN 0.497 nan 8.280 nan 0.000 0.590 283 H N 1.962 121.187 119.070 0.257 0.000 2.337 283 H HA -0.300 4.256 4.556 0.001 0.000 0.288 283 H C 2.275 177.714 175.328 0.186 0.000 1.117 283 H CA 2.244 58.411 56.048 0.197 0.000 1.205 283 H CB -0.407 29.433 29.762 0.129 0.000 1.353 283 H HN 0.779 nan 8.280 nan 0.000 0.480 284 I N 0.977 121.587 120.570 0.067 0.000 2.121 284 I HA -0.323 3.846 4.170 -0.002 0.000 0.243 284 I C 2.061 178.022 176.117 -0.260 0.000 1.047 284 I CA 1.454 62.596 61.300 -0.263 0.000 1.308 284 I CB -0.714 36.752 38.000 -0.890 0.000 1.015 284 I HN 0.004 nan 8.210 nan 0.000 0.410 285 F N -0.746 119.219 119.950 0.024 0.000 2.373 285 F HA -0.217 4.310 4.527 -0.001 0.000 0.300 285 F C 1.740 177.317 175.800 -0.372 0.000 1.080 285 F CA 1.238 59.137 58.000 -0.168 0.000 1.417 285 F CB -0.975 37.921 39.000 -0.175 0.000 1.070 285 F HN 0.182 nan 8.300 nan 0.000 0.546 286 Y N -0.859 119.500 120.300 0.099 0.000 2.457 286 Y HA 0.086 4.634 4.550 -0.003 0.000 0.263 286 Y C 1.739 177.629 175.900 -0.017 0.000 1.164 286 Y CA -0.017 58.123 58.100 0.067 0.000 1.274 286 Y CB -0.490 38.036 38.460 0.110 0.000 1.097 286 Y HN 0.149 nan 8.280 nan 0.000 0.523 287 Q N -1.219 118.552 119.800 -0.049 0.000 2.396 287 Q HA 0.067 4.405 4.340 -0.002 0.000 0.220 287 Q C 1.420 177.022 176.000 -0.664 0.000 0.900 287 Q CA 0.404 56.074 55.803 -0.223 0.000 0.925 287 Q CB 0.256 28.872 28.738 -0.203 0.000 1.065 287 Q HN 0.350 nan 8.270 nan 0.000 0.535 288 I N 0.812 121.008 120.570 -0.624 0.000 2.110 288 I HA -0.208 3.961 4.170 -0.002 0.000 0.236 288 I C 1.218 177.164 176.117 -0.284 0.000 1.068 288 I CA 0.954 61.884 61.300 -0.616 0.000 1.333 288 I CB -0.248 37.534 38.000 -0.363 0.000 1.054 288 I HN 0.174 nan 8.210 nan 0.000 0.402 289 C N 1.315 120.509 119.300 -0.177 0.000 2.980 289 C HA 0.125 4.584 4.460 -0.002 0.000 0.486 289 C C 2.083 177.067 174.990 -0.011 0.000 1.258 289 C CA 0.602 59.589 59.018 -0.052 0.000 1.481 289 C CB -2.592 25.137 27.740 -0.018 0.000 1.742 289 C HN 0.617 nan 8.230 nan 0.000 0.617 290 S N -0.257 115.436 115.700 -0.013 0.000 2.604 290 S HA 0.082 4.550 4.470 -0.002 0.000 0.235 290 S C 0.699 175.356 174.600 0.094 0.000 1.043 290 S CA 0.433 58.667 58.200 0.057 0.000 0.997 290 S CB -0.585 62.666 63.200 0.084 0.000 0.956 290 S HN 0.525 nan 8.310 nan 0.000 0.535 291 N N 0.939 119.696 118.700 0.095 0.000 2.708 291 N HA -0.224 4.515 4.740 -0.002 0.000 0.249 291 N C 0.677 176.254 175.510 0.112 0.000 1.097 291 N CA 0.859 53.965 53.050 0.093 0.000 0.710 291 N CB -1.367 37.156 38.487 0.060 0.000 1.032 291 N HN 0.679 nan 8.380 nan 0.000 0.551 292 A N -0.551 122.387 122.820 0.196 0.000 2.021 292 A HA 0.301 4.620 4.320 -0.002 0.000 0.216 292 A C 0.886 178.495 177.584 0.042 0.000 1.163 292 A CA 0.825 52.955 52.037 0.154 0.000 0.676 292 A CB 0.326 19.491 19.000 0.275 0.000 0.818 292 A HN 0.396 nan 8.150 nan 0.000 0.453 293 I N -0.445 120.158 120.570 0.054 0.000 2.714 293 I HA 0.183 4.351 4.170 -0.002 0.000 0.276 293 I C -2.279 173.842 176.117 0.008 0.000 1.196 293 I CA -1.473 59.788 61.300 -0.066 0.000 1.068 293 I CB 2.041 39.854 38.000 -0.312 0.000 1.291 293 I HN -0.010 nan 8.210 nan 0.000 0.530 294 P HA -0.195 nan 4.420 nan 0.000 0.215 294 P C 1.299 178.601 177.300 0.004 0.000 1.157 294 P CA 1.322 64.432 63.100 0.017 0.000 0.874 294 P CB 0.236 31.943 31.700 0.012 0.000 0.790 295 E N -0.683 119.511 120.200 -0.010 0.000 2.279 295 E HA -0.208 4.141 4.350 -0.002 0.000 0.205 295 E C 1.886 178.482 176.600 -0.006 0.000 1.028 295 E CA 1.114 57.508 56.400 -0.010 0.000 0.830 295 E CB -0.734 28.955 29.700 -0.018 0.000 0.736 295 E HN 0.385 nan 8.360 nan 0.000 0.478 296 L N 0.318 121.534 121.223 -0.011 0.000 2.416 296 L HA 0.016 4.355 4.340 -0.002 0.000 0.216 296 L C 1.883 178.755 176.870 0.004 0.000 1.098 296 L CA 0.125 54.960 54.840 -0.009 0.000 0.840 296 L CB -0.248 41.779 42.059 -0.053 0.000 0.981 296 L HN 0.089 nan 8.230 nan 0.000 0.462 297 N N 0.647 119.355 118.700 0.013 0.000 2.247 297 N HA -0.256 4.483 4.740 -0.002 0.000 0.189 297 N C 1.454 176.974 175.510 0.015 0.000 1.009 297 N CA 1.613 54.674 53.050 0.019 0.000 0.872 297 N CB -0.290 38.212 38.487 0.026 0.000 0.980 297 N HN 0.579 nan 8.380 nan 0.000 0.436 298 D N 0.923 121.324 120.400 0.001 0.000 2.162 298 D HA 0.040 4.678 4.640 -0.002 0.000 0.205 298 D C 2.191 178.473 176.300 -0.030 0.000 0.964 298 D CA 0.783 54.770 54.000 -0.022 0.000 0.847 298 D CB -0.642 40.144 40.800 -0.024 0.000 0.988 298 D HN 0.013 nan 8.370 nan 0.000 0.480 299 V N 0.622 120.538 119.914 0.003 0.000 2.688 299 V HA -0.224 3.895 4.120 -0.002 0.000 0.256 299 V C 2.472 178.598 176.094 0.055 0.000 1.084 299 V CA 1.964 64.284 62.300 0.033 0.000 1.103 299 V CB -0.557 31.302 31.823 0.061 0.000 0.688 299 V HN 0.595 nan 8.190 nan 0.000 0.480 300 M N -1.804 117.827 119.600 0.051 0.000 2.653 300 M HA 0.337 4.816 4.480 -0.002 0.000 0.259 300 M C 0.647 177.018 176.300 0.118 0.000 1.244 300 M CA 0.332 55.687 55.300 0.090 0.000 1.163 300 M CB 0.558 33.198 32.600 0.066 0.000 1.309 300 M HN 0.055 nan 8.290 nan 0.000 0.509 301 L N 1.608 122.873 121.223 0.070 0.000 3.624 301 L HA -0.098 4.241 4.340 -0.002 0.000 0.425 301 L C -0.398 176.600 176.870 0.214 0.000 1.247 301 L CA -0.519 54.371 54.840 0.083 0.000 0.861 301 L CB -2.074 39.978 42.059 -0.011 0.000 1.965 301 L HN 0.348 nan 8.230 nan 0.000 0.751 302 V N -3.992 116.005 119.914 0.139 0.000 2.769 302 V HA 0.820 4.938 4.120 -0.002 0.000 0.312 302 V C 0.612 176.795 176.094 0.148 0.000 1.058 302 V CA -0.221 62.182 62.300 0.171 0.000 0.952 302 V CB 1.981 33.813 31.823 0.016 0.000 1.019 302 V HN 0.162 nan 8.190 nan 0.000 0.445 303 T N 5.058 119.730 114.554 0.197 0.000 2.929 303 T HA 0.399 4.747 4.350 -0.002 0.000 0.331 303 T C -2.012 172.748 174.700 0.100 0.000 1.120 303 T CA -0.958 61.199 62.100 0.095 0.000 0.973 303 T CB 0.968 69.854 68.868 0.030 0.000 1.036 303 T HN 0.747 nan 8.240 nan 0.000 0.502 304 P HA -0.175 nan 4.420 nan 0.000 0.234 304 P C -0.266 177.066 177.300 0.054 0.000 1.186 304 P CA 1.166 64.301 63.100 0.058 0.000 0.787 304 P CB -0.118 31.610 31.700 0.046 0.000 0.980 305 D N -2.177 118.256 120.400 0.054 0.000 2.425 305 D HA 0.223 4.862 4.640 -0.002 0.000 0.240 305 D C 0.900 177.227 176.300 0.045 0.000 1.080 305 D CA -0.448 53.572 54.000 0.034 0.000 0.836 305 D CB 0.929 41.729 40.800 0.001 0.000 1.125 305 D HN -0.253 nan 8.370 nan 0.000 0.525 306 S N 2.009 117.743 115.700 0.057 0.000 2.368 306 S HA -0.096 4.373 4.470 -0.002 0.000 0.225 306 S C 2.208 176.833 174.600 0.041 0.000 1.030 306 S CA 0.909 59.137 58.200 0.047 0.000 0.999 306 S CB -0.404 62.834 63.200 0.063 0.000 0.844 306 S HN 0.709 nan 8.310 nan 0.000 0.459 307 G N 1.981 110.802 108.800 0.034 0.000 2.626 307 G HA2 -0.232 3.726 3.960 -0.002 0.000 0.224 307 G HA3 -0.232 3.726 3.960 -0.002 0.000 0.224 307 G C 1.496 176.370 174.900 -0.044 0.000 1.095 307 G CA 1.591 46.697 45.100 0.010 0.000 0.738 307 G HN 0.589 nan 8.290 nan 0.000 0.600 308 L N -0.410 120.741 121.223 -0.119 0.000 2.022 308 L HA 0.426 4.764 4.340 -0.002 0.000 0.204 308 L C 1.774 178.452 176.870 -0.320 0.000 1.076 308 L CA 0.776 55.455 54.840 -0.269 0.000 0.749 308 L CB -1.579 40.209 42.059 -0.453 0.000 0.903 308 L HN 0.294 nan 8.230 nan 0.000 0.439 309 Y N 1.540 121.788 120.300 -0.086 0.000 2.745 309 Y HA 0.118 4.667 4.550 -0.002 0.000 0.335 309 Y C 2.101 177.955 175.900 -0.078 0.000 1.212 309 Y CA 0.490 58.518 58.100 -0.120 0.000 1.535 309 Y CB 0.230 38.589 38.460 -0.168 0.000 1.220 309 Y HN 0.346 nan 8.280 nan 0.000 0.531 310 S N 2.657 118.377 115.700 0.034 0.000 2.400 310 S HA -0.184 4.285 4.470 -0.002 0.000 0.232 310 S C 1.357 176.096 174.600 0.232 0.000 1.025 310 S CA 0.982 59.226 58.200 0.074 0.000 0.993 310 S CB -0.245 62.967 63.200 0.020 0.000 0.808 310 S HN 0.579 nan 8.310 nan 0.000 0.478 311 F N 1.208 121.164 119.950 0.011 0.000 2.802 311 F HA 0.289 4.815 4.527 -0.003 0.000 0.300 311 F C 1.546 177.278 175.800 -0.114 0.000 1.168 311 F CA -0.601 57.360 58.000 -0.065 0.000 1.433 311 F CB -0.685 38.222 39.000 -0.155 0.000 1.115 311 F HN 0.307 nan 8.300 nan 0.000 0.582 312 I N -3.151 117.496 120.570 0.127 0.000 4.765 312 I HA 0.203 4.372 4.170 -0.002 0.000 0.349 312 I C 0.561 176.772 176.117 0.156 0.000 1.278 312 I CA 0.008 61.367 61.300 0.098 0.000 1.331 312 I CB -0.314 37.619 38.000 -0.111 0.000 1.570 312 I HN 0.013 nan 8.210 nan 0.000 0.538 313 N N 0.839 119.607 118.700 0.113 0.000 2.455 313 N HA 0.185 4.924 4.740 -0.002 0.000 0.258 313 N C 0.737 176.290 175.510 0.073 0.000 1.158 313 N CA -0.318 52.789 53.050 0.094 0.000 0.893 313 N CB 0.431 38.953 38.487 0.059 0.000 1.173 313 N HN 0.510 nan 8.380 nan 0.000 0.503 314 Q N 0.048 119.885 119.800 0.061 0.000 2.287 314 Q HA 0.188 4.527 4.340 -0.002 0.000 0.201 314 Q C 1.116 177.098 176.000 -0.030 0.000 0.946 314 Q CA 0.742 56.562 55.803 0.027 0.000 0.868 314 Q CB 0.314 29.059 28.738 0.013 0.000 0.967 314 Q HN 0.468 nan 8.270 nan 0.000 0.516 315 G N -0.145 108.616 108.800 -0.064 0.000 2.583 315 G HA2 0.336 4.295 3.960 -0.002 0.000 0.280 315 G HA3 0.336 4.295 3.960 -0.002 0.000 0.280 315 G C 0.257 175.140 174.900 -0.029 0.000 1.376 315 G CA -0.281 44.766 45.100 -0.088 0.000 1.043 315 G HN 0.477 nan 8.290 nan 0.000 0.538 316 C N -1.752 117.520 119.300 -0.046 0.000 2.876 316 C HA 0.560 5.019 4.460 -0.002 0.000 0.276 316 C C 1.604 176.600 174.990 0.010 0.000 1.582 316 C CA 0.005 59.013 59.018 -0.018 0.000 2.061 316 C CB -0.899 26.818 27.740 -0.038 0.000 2.044 316 C HN 0.567 nan 8.230 nan 0.000 0.647 317 L N -0.724 120.514 121.223 0.026 0.000 2.753 317 L HA 0.218 4.557 4.340 -0.002 0.000 0.238 317 L C 1.215 178.092 176.870 0.012 0.000 1.028 317 L CA 0.543 55.447 54.840 0.106 0.000 0.966 317 L CB -1.010 41.185 42.059 0.228 0.000 1.681 317 L HN 0.875 nan 8.230 nan 0.000 0.511 318 T N 0.008 114.572 114.554 0.017 0.000 2.904 318 T HA 0.593 4.941 4.350 -0.002 0.000 0.290 318 T C -0.250 174.436 174.700 -0.024 0.000 1.018 318 T CA -0.447 61.660 62.100 0.011 0.000 1.075 318 T CB 2.187 71.069 68.868 0.023 0.000 0.986 318 T HN -0.084 nan 8.240 nan 0.000 0.523 319 V N 2.904 122.811 119.914 -0.011 0.000 2.567 319 V HA 0.203 4.322 4.120 -0.002 0.000 0.298 319 V C 0.555 176.648 176.094 -0.001 0.000 1.047 319 V CA -0.971 61.321 62.300 -0.014 0.000 0.880 319 V CB 1.562 33.376 31.823 -0.014 0.000 1.009 319 V HN 1.008 nan 8.190 nan 0.000 0.429 320 D N 3.772 124.172 120.400 0.001 0.000 2.549 320 D HA -0.322 4.316 4.640 -0.002 0.000 0.199 320 D C 1.424 177.729 176.300 0.008 0.000 1.034 320 D CA 2.677 56.680 54.000 0.006 0.000 0.880 320 D CB -0.074 40.729 40.800 0.006 0.000 1.044 320 D HN 0.887 nan 8.370 nan 0.000 0.469 321 N N 0.327 119.031 118.700 0.008 0.000 2.494 321 N HA 0.035 4.774 4.740 -0.002 0.000 0.182 321 N C 0.634 176.142 175.510 -0.005 0.000 1.076 321 N CA -0.033 53.021 53.050 0.006 0.000 0.908 321 N CB 0.058 38.552 38.487 0.012 0.000 0.967 321 N HN 0.232 nan 8.380 nan 0.000 0.449 322 I N 1.311 121.872 120.570 -0.014 0.000 2.342 322 I HA 0.033 4.201 4.170 -0.002 0.000 0.291 322 I C -0.525 175.591 176.117 -0.001 0.000 1.010 322 I CA -0.427 60.854 61.300 -0.033 0.000 1.308 322 I CB 1.158 39.116 38.000 -0.070 0.000 1.400 322 I HN -0.003 nan 8.210 nan 0.000 0.488 323 D N 5.628 126.033 120.400 0.008 0.000 2.505 323 D HA 0.099 4.738 4.640 -0.002 0.000 0.242 323 D C 0.881 177.219 176.300 0.062 0.000 1.136 323 D CA -0.325 53.697 54.000 0.037 0.000 0.954 323 D CB 0.479 41.302 40.800 0.038 0.000 1.002 323 D HN 0.376 nan 8.370 nan 0.000 0.512 324 D N 1.740 122.186 120.400 0.078 0.000 2.276 324 D HA -0.174 4.464 4.640 -0.002 0.000 0.200 324 D C 1.583 177.966 176.300 0.138 0.000 1.004 324 D CA 0.947 55.017 54.000 0.116 0.000 0.898 324 D CB 0.323 41.215 40.800 0.154 0.000 0.906 324 D HN 0.318 nan 8.370 nan 0.000 0.457 325 V N 0.412 120.402 119.914 0.126 0.000 3.649 325 V HA -0.001 4.117 4.120 -0.002 0.000 0.275 325 V C 2.002 178.181 176.094 0.141 0.000 1.281 325 V CA 0.670 63.060 62.300 0.150 0.000 1.143 325 V CB 0.307 32.196 31.823 0.109 0.000 0.892 325 V HN -0.002 nan 8.190 nan 0.000 0.441 326 E N 0.742 121.012 120.200 0.117 0.000 2.228 326 E HA 0.064 4.413 4.350 -0.002 0.000 0.197 326 E C 2.396 179.064 176.600 0.112 0.000 0.909 326 E CA 1.070 57.523 56.400 0.089 0.000 0.911 326 E CB 0.111 29.845 29.700 0.056 0.000 0.887 326 E HN 0.596 nan 8.360 nan 0.000 0.481 327 E N 0.819 121.089 120.200 0.116 0.000 2.273 327 E HA -0.196 4.153 4.350 -0.002 0.000 0.198 327 E C 1.673 178.421 176.600 0.247 0.000 1.002 327 E CA 1.133 57.610 56.400 0.128 0.000 0.828 327 E CB -0.806 28.941 29.700 0.077 0.000 0.747 327 E HN 0.144 nan 8.360 nan 0.000 0.491 328 F N 1.371 121.364 119.950 0.071 0.000 2.118 328 F HA 0.094 4.619 4.527 -0.003 0.000 0.293 328 F C 2.091 177.949 175.800 0.097 0.000 1.102 328 F CA 1.455 59.511 58.000 0.094 0.000 1.247 328 F CB -0.386 38.646 39.000 0.053 0.000 1.017 328 F HN 0.132 nan 8.300 nan 0.000 0.475 329 K N 0.197 120.624 120.400 0.045 0.000 2.001 329 K HA -0.229 4.090 4.320 -0.002 0.000 0.214 329 K C 1.933 178.528 176.600 -0.009 0.000 1.050 329 K CA 2.137 58.376 56.287 -0.080 0.000 0.934 329 K CB -0.827 31.658 32.500 -0.025 0.000 0.718 329 K HN 0.201 nan 8.250 nan 0.000 0.443 330 L N 1.303 122.555 121.223 0.048 0.000 2.012 330 L HA -0.241 4.097 4.340 -0.002 0.000 0.210 330 L C 2.776 179.694 176.870 0.080 0.000 1.073 330 L CA 1.513 56.383 54.840 0.050 0.000 0.748 330 L CB -1.055 41.033 42.059 0.048 0.000 0.891 330 L HN 0.430 nan 8.230 nan 0.000 0.431 331 C N -0.023 119.365 119.300 0.148 0.000 2.376 331 C HA -0.282 4.177 4.460 -0.002 0.000 0.275 331 C C 2.697 177.845 174.990 0.264 0.000 1.200 331 C CA 1.647 60.784 59.018 0.199 0.000 1.756 331 C CB -0.857 27.125 27.740 0.403 0.000 2.050 331 C HN 0.673 nan 8.230 nan 0.000 0.460 332 D N -0.035 120.535 120.400 0.283 0.000 2.088 332 D HA -0.196 4.442 4.640 -0.002 0.000 0.191 332 D C 2.088 178.521 176.300 0.221 0.000 0.992 332 D CA 2.097 56.283 54.000 0.311 0.000 0.831 332 D CB -0.484 40.312 40.800 -0.005 0.000 0.973 332 D HN 0.730 nan 8.370 nan 0.000 0.447 333 E N 0.260 120.518 120.200 0.096 0.000 2.114 333 E HA -0.256 4.093 4.350 -0.002 0.000 0.199 333 E C 1.827 178.471 176.600 0.074 0.000 1.008 333 E CA 2.026 58.465 56.400 0.065 0.000 0.810 333 E CB -0.649 29.068 29.700 0.029 0.000 0.739 333 E HN 0.278 nan 8.360 nan 0.000 0.456 334 A N -0.299 122.554 122.820 0.056 0.000 1.892 334 A HA -0.166 4.153 4.320 -0.002 0.000 0.218 334 A C 2.152 179.735 177.584 -0.002 0.000 1.188 334 A CA 1.688 53.717 52.037 -0.014 0.000 0.631 334 A CB -1.081 17.870 19.000 -0.081 0.000 0.822 334 A HN 0.412 nan 8.150 nan 0.000 0.447 335 F N 0.771 120.743 119.950 0.037 0.000 2.134 335 F HA -0.160 4.367 4.527 0.000 0.000 0.299 335 F C 2.174 177.974 175.800 0.000 0.000 1.097 335 F CA 1.744 59.752 58.000 0.013 0.000 1.264 335 F CB -0.371 38.657 39.000 0.046 0.000 1.001 335 F HN 0.254 nan 8.300 nan 0.000 0.479 336 D N 0.287 120.816 120.400 0.215 0.000 2.078 336 D HA -0.156 4.482 4.640 -0.002 0.000 0.193 336 D C 2.374 178.712 176.300 0.063 0.000 0.990 336 D CA 1.411 55.478 54.000 0.112 0.000 0.827 336 D CB -0.740 40.107 40.800 0.079 0.000 0.975 336 D HN 0.219 nan 8.370 nan 0.000 0.451 337 I N 0.819 121.414 120.570 0.042 0.000 2.874 337 I HA -0.203 3.965 4.170 -0.002 0.000 0.271 337 I C 1.625 177.742 176.117 -0.000 0.000 1.263 337 I CA 0.353 61.659 61.300 0.011 0.000 1.443 337 I CB -0.017 37.981 38.000 -0.003 0.000 1.100 337 I HN 0.055 nan 8.210 nan 0.000 0.480 338 L N -0.074 121.159 121.223 0.015 0.000 2.616 338 L HA 0.235 4.574 4.340 -0.002 0.000 0.229 338 L C 1.505 178.379 176.870 0.006 0.000 1.110 338 L CA 1.014 55.850 54.840 -0.005 0.000 0.884 338 L CB -0.474 41.575 42.059 -0.016 0.000 1.115 338 L HN 0.457 nan 8.230 nan 0.000 0.481 339 G N -0.466 108.351 108.800 0.028 0.000 2.149 339 G HA2 -0.290 3.668 3.960 -0.002 0.000 0.235 339 G HA3 -0.290 3.668 3.960 -0.002 0.000 0.235 339 G C 0.244 175.165 174.900 0.034 0.000 1.018 339 G CA 0.118 45.231 45.100 0.021 0.000 0.728 339 G HN 0.269 nan 8.290 nan 0.000 0.508 340 F N 1.546 121.538 119.950 0.069 0.000 2.471 340 F HA 0.679 5.205 4.527 -0.002 0.000 0.365 340 F C 1.102 176.914 175.800 0.021 0.000 1.095 340 F CA 0.301 58.338 58.000 0.062 0.000 1.174 340 F CB 0.089 39.158 39.000 0.115 0.000 1.105 340 F HN 0.308 nan 8.300 nan 0.000 0.535 341 T N 3.435 117.997 114.554 0.014 0.000 2.930 341 T HA 0.383 4.732 4.350 -0.002 0.000 0.306 341 T C 1.836 176.526 174.700 -0.018 0.000 1.045 341 T CA 0.304 62.406 62.100 0.003 0.000 1.134 341 T CB 1.074 69.947 68.868 0.007 0.000 0.961 341 T HN 1.071 nan 8.240 nan 0.000 0.545 342 K N 2.398 122.793 120.400 -0.008 0.000 2.059 342 K HA -0.252 4.067 4.320 -0.002 0.000 0.212 342 K C 2.025 178.613 176.600 -0.020 0.000 1.050 342 K CA 2.535 58.818 56.287 -0.007 0.000 0.927 342 K CB -1.309 31.196 32.500 0.008 0.000 0.714 342 K HN 0.899 nan 8.250 nan 0.000 0.447 343 E N 0.289 120.477 120.200 -0.019 0.000 2.086 343 E HA -0.268 4.080 4.350 -0.002 0.000 0.200 343 E C 2.113 178.675 176.600 -0.064 0.000 1.012 343 E CA 1.908 58.290 56.400 -0.030 0.000 0.812 343 E CB -0.052 29.633 29.700 -0.026 0.000 0.743 343 E HN 0.812 nan 8.360 nan 0.000 0.453 344 E N -0.069 120.091 120.200 -0.066 0.000 1.999 344 E HA -0.192 4.156 4.350 -0.002 0.000 0.194 344 E C 2.498 178.964 176.600 -0.224 0.000 0.995 344 E CA 1.408 57.750 56.400 -0.097 0.000 0.825 344 E CB -0.401 29.312 29.700 0.022 0.000 0.777 344 E HN 0.251 nan 8.360 nan 0.000 0.459 345 K N 0.810 121.037 120.400 -0.289 0.000 2.127 345 K HA -0.343 3.976 4.320 -0.002 0.000 0.212 345 K C 2.239 178.560 176.600 -0.464 0.000 1.050 345 K CA 2.985 58.922 56.287 -0.584 0.000 0.929 345 K CB -2.050 30.257 32.500 -0.322 0.000 0.715 345 K HN 0.370 nan 8.250 nan 0.000 0.457 346 Q N -0.165 119.569 119.800 -0.111 0.000 2.062 346 Q HA 0.007 4.346 4.340 -0.002 0.000 0.196 346 Q C 2.623 178.617 176.000 -0.011 0.000 0.967 346 Q CA 1.816 57.671 55.803 0.087 0.000 0.832 346 Q CB -0.862 27.933 28.738 0.095 0.000 0.899 346 Q HN 0.748 nan 8.270 nan 0.000 0.442 347 S N 0.392 116.032 115.700 -0.100 0.000 2.392 347 S HA -0.181 4.288 4.470 -0.002 0.000 0.232 347 S C 2.107 176.612 174.600 -0.160 0.000 1.041 347 S CA 1.659 59.785 58.200 -0.123 0.000 1.026 347 S CB -0.272 62.812 63.200 -0.193 0.000 0.845 347 S HN 0.601 nan 8.310 nan 0.000 0.465 348 M N 0.037 119.469 119.600 -0.280 0.000 2.064 348 M HA -0.032 4.446 4.480 -0.002 0.000 0.260 348 M C 1.858 178.064 176.300 -0.157 0.000 1.073 348 M CA 1.514 56.636 55.300 -0.296 0.000 1.124 348 M CB -1.243 31.054 32.600 -0.505 0.000 1.326 348 M HN 0.295 nan 8.290 nan 0.000 0.410 349 F N 1.150 121.108 119.950 0.013 0.000 2.126 349 F HA -0.222 4.302 4.527 -0.005 0.000 0.299 349 F C 2.930 178.762 175.800 0.053 0.000 1.096 349 F CA 1.985 60.018 58.000 0.055 0.000 1.255 349 F CB -1.810 37.234 39.000 0.074 0.000 0.997 349 F HN 0.215 nan 8.300 nan 0.000 0.479 350 K N -0.063 120.465 120.400 0.214 0.000 1.991 350 K HA -0.223 4.095 4.320 -0.002 0.000 0.212 350 K C 2.216 178.906 176.600 0.149 0.000 1.049 350 K CA 1.943 58.328 56.287 0.164 0.000 0.932 350 K CB -1.839 30.733 32.500 0.120 0.000 0.717 350 K HN 0.436 nan 8.250 nan 0.000 0.441 351 C N 0.323 119.684 119.300 0.103 0.000 2.403 351 C HA -0.110 4.349 4.460 -0.002 0.000 0.277 351 C C 3.039 178.135 174.990 0.176 0.000 1.248 351 C CA 1.488 60.575 59.018 0.114 0.000 1.762 351 C CB -0.888 26.883 27.740 0.051 0.000 2.014 351 C HN 0.723 nan 8.230 nan 0.000 0.486 352 T N 0.714 115.377 114.554 0.182 0.000 2.732 352 T HA -0.034 4.315 4.350 -0.002 0.000 0.261 352 T C 2.163 177.007 174.700 0.239 0.000 1.040 352 T CA 1.541 63.777 62.100 0.226 0.000 1.145 352 T CB -0.404 68.561 68.868 0.161 0.000 0.866 352 T HN 0.606 nan 8.240 nan 0.000 0.427 353 A N 1.908 124.822 122.820 0.157 0.000 1.940 353 A HA -0.115 4.203 4.320 -0.002 0.000 0.219 353 A C 2.493 180.106 177.584 0.049 0.000 1.176 353 A CA 2.194 54.249 52.037 0.029 0.000 0.631 353 A CB -0.965 18.063 19.000 0.046 0.000 0.814 353 A HN 0.613 nan 8.150 nan 0.000 0.446 354 S N -0.229 115.591 115.700 0.199 0.000 2.465 354 S HA -0.103 4.366 4.470 -0.002 0.000 0.241 354 S C 1.714 176.438 174.600 0.207 0.000 1.000 354 S CA 1.362 59.716 58.200 0.257 0.000 0.964 354 S CB -0.696 62.628 63.200 0.206 0.000 0.763 354 S HN 0.524 nan 8.310 nan 0.000 0.512 355 I N 0.316 121.007 120.570 0.203 0.000 2.277 355 I HA -0.073 4.096 4.170 -0.002 0.000 0.243 355 I C 1.982 178.131 176.117 0.054 0.000 1.094 355 I CA 0.538 61.987 61.300 0.249 0.000 1.393 355 I CB -0.325 37.927 38.000 0.420 0.000 1.078 355 I HN 0.277 nan 8.210 nan 0.000 0.417 356 L N 0.509 121.647 121.223 -0.141 0.000 2.013 356 L HA -0.279 4.059 4.340 -0.002 0.000 0.212 356 L C 2.643 179.317 176.870 -0.328 0.000 1.073 356 L CA 1.947 56.531 54.840 -0.427 0.000 0.753 356 L CB -1.969 39.426 42.059 -1.107 0.000 0.890 356 L HN 0.329 nan 8.230 nan 0.000 0.432 357 H N -0.945 118.067 119.070 -0.096 0.000 2.387 357 H HA -0.093 4.461 4.556 -0.002 0.000 0.299 357 H C 2.269 177.537 175.328 -0.101 0.000 1.090 357 H CA 1.455 57.491 56.048 -0.020 0.000 1.332 357 H CB -0.195 29.575 29.762 0.013 0.000 1.386 357 H HN 0.374 nan 8.280 nan 0.000 0.516 358 M N -0.326 119.267 119.600 -0.011 0.000 2.159 358 M HA -0.067 4.412 4.480 -0.002 0.000 0.263 358 M C 2.550 178.662 176.300 -0.313 0.000 1.063 358 M CA 1.530 56.812 55.300 -0.029 0.000 1.110 358 M CB -0.595 32.091 32.600 0.143 0.000 1.374 358 M HN 0.206 nan 8.290 nan 0.000 0.411 359 G N 0.155 108.339 108.800 -1.026 0.000 2.598 359 G HA2 -0.106 3.853 3.960 -0.002 0.000 0.215 359 G HA3 -0.106 3.853 3.960 -0.002 0.000 0.215 359 G C 1.068 175.687 174.900 -0.468 0.000 1.131 359 G CA 0.422 44.615 45.100 -1.511 0.000 0.785 359 G HN 0.342 nan 8.290 nan 0.000 0.539 360 E N -0.465 119.590 120.200 -0.243 0.000 2.451 360 E HA 0.317 4.666 4.350 -0.002 0.000 0.194 360 E C 0.961 177.519 176.600 -0.069 0.000 1.027 360 E CA -0.083 56.265 56.400 -0.087 0.000 0.914 360 E CB 0.028 29.739 29.700 0.019 0.000 1.054 360 E HN 0.427 nan 8.360 nan 0.000 0.461 361 M N 0.867 120.422 119.600 -0.075 0.000 2.072 361 M HA 0.600 5.079 4.480 -0.002 0.000 0.331 361 M C -0.233 175.963 176.300 -0.173 0.000 1.004 361 M CA -1.018 54.191 55.300 -0.152 0.000 0.952 361 M CB 0.908 33.435 32.600 -0.123 0.000 1.511 361 M HN -0.136 nan 8.290 nan 0.000 0.422 362 K N 2.855 123.099 120.400 -0.259 0.000 2.208 362 K HA 0.946 5.265 4.320 -0.002 0.000 0.247 362 K C -1.717 174.663 176.600 -0.367 0.000 0.953 362 K CA -0.966 55.257 56.287 -0.106 0.000 0.837 362 K CB 1.116 33.612 32.500 -0.007 0.000 1.131 362 K HN 0.547 nan 8.250 nan 0.000 0.431 363 F N 0.854 120.814 119.950 0.017 0.000 2.556 363 F HA 0.556 5.081 4.527 -0.003 0.000 0.327 363 F C 0.616 176.424 175.800 0.013 0.000 1.059 363 F CA -0.804 57.206 58.000 0.016 0.000 0.953 363 F CB 1.704 40.716 39.000 0.020 0.000 1.227 363 F HN 0.425 nan 8.300 nan 0.000 0.478 368 R N 1.071 121.577 120.500 0.010 0.000 2.046 368 R HA 0.129 4.468 4.340 -0.002 0.000 0.223 368 R C 1.002 177.308 176.300 0.010 0.000 1.179 368 R CA 1.602 57.708 56.100 0.009 0.000 0.952 368 R CB -1.679 28.626 30.300 0.008 0.000 0.843 368 R HN 0.377 nan 8.270 nan 0.000 0.439 369 E N 2.194 122.401 120.200 0.011 0.000 2.126 369 E HA -0.027 4.321 4.350 -0.002 0.000 0.261 369 E C 0.805 177.412 176.600 0.012 0.000 1.180 369 E CA 0.025 56.433 56.400 0.012 0.000 1.055 369 E CB 0.044 29.753 29.700 0.015 0.000 1.088 369 E HN 0.452 nan 8.360 nan 0.000 0.444 370 E N 1.386 121.591 120.200 0.009 0.000 2.132 370 E HA -0.288 4.060 4.350 -0.002 0.000 0.218 370 E C 0.546 177.150 176.600 0.006 0.000 1.058 370 E CA 1.385 57.789 56.400 0.007 0.000 0.882 370 E CB 0.057 29.759 29.700 0.004 0.000 0.774 370 E HN 0.443 nan 8.360 nan 0.000 0.467 371 Q N -0.023 119.781 119.800 0.008 0.000 2.300 371 Q HA 0.203 4.542 4.340 -0.002 0.000 0.280 371 Q C -0.991 175.020 176.000 0.018 0.000 1.033 371 Q CA 0.237 56.044 55.803 0.007 0.000 0.903 371 Q CB 1.029 29.773 28.738 0.010 0.000 1.195 371 Q HN 0.216 nan 8.270 nan 0.000 0.386 372 A N 4.267 127.096 122.820 0.015 0.000 2.302 372 A HA 0.472 4.790 4.320 -0.002 0.000 0.285 372 A C -0.371 177.269 177.584 0.094 0.000 1.105 372 A CA -0.453 51.612 52.037 0.047 0.000 0.816 372 A CB 0.671 19.687 19.000 0.027 0.000 1.067 372 A HN 0.847 nan 8.150 nan 0.000 0.489 373 E N 0.034 120.314 120.200 0.134 0.000 2.281 373 E HA 0.518 4.867 4.350 -0.002 0.000 0.257 373 E C -0.532 176.212 176.600 0.240 0.000 0.971 373 E CA -0.697 55.794 56.400 0.151 0.000 0.839 373 E CB 1.792 31.543 29.700 0.085 0.000 1.238 373 E HN 0.623 nan 8.360 nan 0.000 0.412 374 S N 0.365 116.158 115.700 0.155 0.000 2.672 374 S HA 0.115 4.584 4.470 -0.002 0.000 0.276 374 S C -0.269 174.291 174.600 -0.067 0.000 1.207 374 S CA -0.459 57.724 58.200 -0.028 0.000 1.002 374 S CB 0.809 63.921 63.200 -0.146 0.000 0.998 374 S HN 0.505 nan 8.310 nan 0.000 0.542 375 D N 0.118 120.420 120.400 -0.163 0.000 3.035 375 D HA 0.496 5.134 4.640 -0.002 0.000 0.290 375 D C 0.112 176.345 176.300 -0.112 0.000 1.360 375 D CA 0.380 54.324 54.000 -0.095 0.000 0.862 375 D CB -0.476 40.282 40.800 -0.069 0.000 1.078 375 D HN 0.830 nan 8.370 nan 0.000 0.487 376 G N -0.665 108.068 108.800 -0.111 0.000 2.484 376 G HA2 -0.057 3.902 3.960 -0.002 0.000 0.685 376 G HA3 -0.057 3.902 3.960 -0.002 0.000 0.685 376 G C 0.643 175.472 174.900 -0.119 0.000 1.294 376 G CA -0.130 44.913 45.100 -0.095 0.000 0.879 376 G HN 0.180 nan 8.290 nan 0.000 0.646 377 T N -1.646 112.858 114.554 -0.084 0.000 2.990 377 T HA 0.562 4.911 4.350 -0.002 0.000 0.249 377 T C 2.558 177.214 174.700 -0.074 0.000 1.039 377 T CA 1.780 63.832 62.100 -0.079 0.000 1.036 377 T CB 0.044 68.883 68.868 -0.047 0.000 0.994 377 T HN 2.368 nan 8.240 nan 0.000 0.489 378 A N 2.698 125.477 122.820 -0.069 0.000 2.030 378 A HA -0.405 3.914 4.320 -0.002 0.000 0.266 378 A C 2.051 179.586 177.584 -0.081 0.000 2.529 378 A CA 2.815 54.812 52.037 -0.067 0.000 0.955 378 A CB -1.526 17.437 19.000 -0.062 0.000 0.765 378 A HN 0.531 nan 8.150 nan 0.000 0.502 379 E N -0.777 119.377 120.200 -0.077 0.000 2.058 379 E HA 0.015 4.364 4.350 -0.002 0.000 0.194 379 E C 2.362 178.921 176.600 -0.068 0.000 0.997 379 E CA 1.631 57.985 56.400 -0.076 0.000 0.801 379 E CB -0.674 29.028 29.700 0.003 0.000 0.746 379 E HN 0.696 nan 8.360 nan 0.000 0.450 380 A N 0.672 123.456 122.820 -0.059 0.000 1.997 380 A HA -0.294 4.025 4.320 -0.002 0.000 0.221 380 A C 2.284 179.857 177.584 -0.018 0.000 1.172 380 A CA 2.590 54.608 52.037 -0.031 0.000 0.645 380 A CB -1.061 17.909 19.000 -0.050 0.000 0.813 380 A HN 0.382 nan 8.150 nan 0.000 0.454 381 E N -0.964 119.216 120.200 -0.033 0.000 2.152 381 E HA -0.036 4.312 4.350 -0.002 0.000 0.192 381 E C 2.131 178.733 176.600 0.003 0.000 0.983 381 E CA 2.078 58.474 56.400 -0.006 0.000 0.818 381 E CB -1.059 28.634 29.700 -0.012 0.000 0.758 381 E HN 0.879 nan 8.360 nan 0.000 0.467 382 K N 0.374 120.719 120.400 -0.091 0.000 2.228 382 K HA 0.251 4.570 4.320 -0.002 0.000 0.202 382 K C 2.416 178.965 176.600 -0.085 0.000 1.051 382 K CA 1.045 57.215 56.287 -0.194 0.000 0.960 382 K CB -0.695 31.465 32.500 -0.565 0.000 0.743 382 K HN 0.357 nan 8.250 nan 0.000 0.458 383 V N 0.567 120.467 119.914 -0.024 0.000 2.548 383 V HA -0.052 4.066 4.120 -0.002 0.000 0.249 383 V C 2.826 178.958 176.094 0.063 0.000 1.055 383 V CA 1.486 63.820 62.300 0.057 0.000 1.065 383 V CB -0.360 31.505 31.823 0.070 0.000 0.681 383 V HN 0.607 nan 8.190 nan 0.000 0.462 384 A N -0.250 122.602 122.820 0.053 0.000 1.874 384 A HA -0.106 4.212 4.320 -0.002 0.000 0.214 384 A C 2.070 179.696 177.584 0.070 0.000 1.189 384 A CA 1.383 53.444 52.037 0.040 0.000 0.615 384 A CB -0.607 18.407 19.000 0.024 0.000 0.830 384 A HN 0.438 nan 8.150 nan 0.000 0.443 385 F N 0.565 120.490 119.950 -0.042 0.000 2.075 385 F HA -0.099 4.427 4.527 -0.002 0.000 0.297 385 F C 1.919 177.706 175.800 -0.022 0.000 1.113 385 F CA 1.532 59.511 58.000 -0.036 0.000 1.218 385 F CB -0.437 38.535 39.000 -0.046 0.000 0.984 385 F HN 0.124 nan 8.300 nan 0.000 0.472 386 L N -1.162 120.269 121.223 0.346 0.000 2.191 386 L HA -0.279 4.060 4.340 -0.002 0.000 0.212 386 L C 2.021 178.972 176.870 0.135 0.000 1.103 386 L CA 1.024 56.010 54.840 0.243 0.000 0.769 386 L CB -0.465 41.703 42.059 0.181 0.000 0.908 386 L HN 0.279 nan 8.230 nan 0.000 0.438 387 C N -0.436 118.912 119.300 0.079 0.000 3.038 387 C HA 0.353 4.811 4.460 -0.002 0.000 0.279 387 C C 1.402 176.370 174.990 -0.037 0.000 1.276 387 C CA -0.017 59.009 59.018 0.013 0.000 1.697 387 C CB -0.883 26.850 27.740 -0.012 0.000 2.032 387 C HN 0.705 nan 8.230 nan 0.000 0.636 388 G N 2.718 111.486 108.800 -0.053 0.000 2.374 388 G HA2 -0.210 3.748 3.960 -0.002 0.000 0.289 388 G HA3 -0.210 3.748 3.960 -0.002 0.000 0.289 388 G C -0.433 174.410 174.900 -0.095 0.000 1.004 388 G CA 0.836 45.868 45.100 -0.112 0.000 1.292 388 G HN 0.958 nan 8.290 nan 0.000 0.502 389 I N -3.237 117.284 120.570 -0.082 0.000 3.093 389 I HA 0.620 4.789 4.170 -0.002 0.000 0.308 389 I C -0.533 175.551 176.117 -0.054 0.000 1.303 389 I CA -1.779 59.479 61.300 -0.069 0.000 0.975 389 I CB 1.610 39.570 38.000 -0.068 0.000 1.286 389 I HN -0.053 nan 8.210 nan 0.000 0.459 390 N N 2.582 121.256 118.700 -0.044 0.000 2.431 390 N HA 0.408 5.147 4.740 -0.002 0.000 0.265 390 N C 1.038 176.539 175.510 -0.015 0.000 1.184 390 N CA 0.696 53.728 53.050 -0.031 0.000 0.943 390 N CB 1.762 40.233 38.487 -0.027 0.000 1.080 390 N HN 0.766 nan 8.380 nan 0.000 0.477 391 A N 2.760 125.575 122.820 -0.007 0.000 1.986 391 A HA -0.151 4.167 4.320 -0.002 0.000 0.220 391 A C 2.012 179.600 177.584 0.006 0.000 1.171 391 A CA 2.069 54.108 52.037 0.003 0.000 0.640 391 A CB -0.884 18.119 19.000 0.006 0.000 0.811 391 A HN 0.699 nan 8.150 nan 0.000 0.451 392 G N -0.797 108.004 108.800 0.002 0.000 2.404 392 G HA2 -0.169 3.790 3.960 -0.002 0.000 0.213 392 G HA3 -0.169 3.790 3.960 -0.002 0.000 0.213 392 G C 1.224 176.129 174.900 0.010 0.000 1.189 392 G CA 0.906 46.009 45.100 0.006 0.000 0.796 392 G HN 0.453 nan 8.290 nan 0.000 0.532 393 D N 0.054 120.454 120.400 0.001 0.000 2.228 393 D HA -0.117 4.521 4.640 -0.002 0.000 0.203 393 D C 2.358 178.660 176.300 0.005 0.000 0.988 393 D CA 0.880 54.879 54.000 -0.001 0.000 0.864 393 D CB 0.111 40.904 40.800 -0.013 0.000 0.928 393 D HN 0.262 nan 8.370 nan 0.000 0.469 394 L N 0.394 121.622 121.223 0.008 0.000 2.034 394 L HA -0.022 4.316 4.340 -0.002 0.000 0.203 394 L C 2.284 179.185 176.870 0.050 0.000 1.074 394 L CA 1.179 56.031 54.840 0.019 0.000 0.748 394 L CB -0.665 41.404 42.059 0.017 0.000 0.905 394 L HN -0.062 nan 8.230 nan 0.000 0.439 395 L N 0.134 121.394 121.223 0.061 0.000 2.079 395 L HA -0.239 4.100 4.340 -0.002 0.000 0.210 395 L C 2.985 179.912 176.870 0.094 0.000 1.081 395 L CA 1.898 56.800 54.840 0.103 0.000 0.752 395 L CB -0.880 41.227 42.059 0.079 0.000 0.896 395 L HN 0.420 nan 8.230 nan 0.000 0.433 396 K N -0.032 120.401 120.400 0.056 0.000 2.025 396 K HA -0.007 4.312 4.320 -0.002 0.000 0.207 396 K C 2.111 178.733 176.600 0.037 0.000 1.049 396 K CA 1.304 57.617 56.287 0.044 0.000 0.933 396 K CB -1.218 31.298 32.500 0.027 0.000 0.714 396 K HN 0.423 nan 8.250 nan 0.000 0.438 397 A N 0.553 123.391 122.820 0.030 0.000 2.121 397 A HA 0.343 4.662 4.320 -0.002 0.000 0.218 397 A C 2.684 180.283 177.584 0.026 0.000 1.154 397 A CA 2.001 54.051 52.037 0.021 0.000 0.679 397 A CB -0.814 18.193 19.000 0.011 0.000 0.795 397 A HN 0.948 nan 8.150 nan 0.000 0.458 398 L N -1.323 119.925 121.223 0.042 0.000 2.116 398 L HA 0.371 4.709 4.340 -0.002 0.000 0.200 398 L C 3.040 179.915 176.870 0.009 0.000 1.084 398 L CA 1.842 56.703 54.840 0.036 0.000 0.766 398 L CB -1.928 40.178 42.059 0.079 0.000 0.930 398 L HN 0.721 nan 8.230 nan 0.000 0.453 399 L N 0.058 121.300 121.223 0.031 0.000 2.081 399 L HA 0.325 4.664 4.340 -0.002 0.000 0.212 399 L C 2.017 178.889 176.870 0.003 0.000 1.080 399 L CA 2.963 57.807 54.840 0.007 0.000 0.754 399 L CB -2.073 40.023 42.059 0.062 0.000 0.893 399 L HN 1.008 nan 8.230 nan 0.000 0.433 400 K N 0.945 121.354 120.400 0.015 0.000 2.579 400 K HA 0.655 4.973 4.320 -0.002 0.000 0.225 400 K C -3.049 173.557 176.600 0.010 0.000 0.992 400 K CA -1.327 54.966 56.287 0.010 0.000 1.018 400 K CB 0.344 32.853 32.500 0.014 0.000 1.249 400 K HN 0.524 nan 8.250 nan 0.000 0.489 401 P HA 0.440 nan 4.420 nan 0.000 0.278 401 P C -0.721 176.584 177.300 0.008 0.000 1.258 401 P CA -0.534 62.571 63.100 0.008 0.000 0.811 401 P CB 0.835 32.538 31.700 0.006 0.000 1.063 402 K N 0.653 121.058 120.400 0.008 0.000 2.827 402 K HA 0.318 4.637 4.320 -0.002 0.000 0.186 402 K C -1.048 175.557 176.600 0.009 0.000 1.093 402 K CA -0.456 55.836 56.287 0.008 0.000 0.993 402 K CB 0.886 33.391 32.500 0.007 0.000 1.199 402 K HN 0.163 nan 8.250 nan 0.000 0.598 403 V N 1.983 121.902 119.914 0.009 0.000 2.775 403 V HA 0.215 4.333 4.120 -0.002 0.000 0.299 403 V C 1.096 177.195 176.094 0.008 0.000 1.062 403 V CA -0.377 61.929 62.300 0.010 0.000 1.063 403 V CB 0.750 32.578 31.823 0.009 0.000 0.994 403 V HN 0.662 nan 8.190 nan 0.000 0.483 404 K N 2.348 122.753 120.400 0.008 0.000 2.181 404 K HA 0.591 4.910 4.320 -0.002 0.000 0.239 404 K C -0.247 176.356 176.600 0.005 0.000 1.073 404 K CA 0.160 56.451 56.287 0.007 0.000 0.839 404 K CB 0.308 32.812 32.500 0.007 0.000 1.116 404 K HN 0.591 nan 8.250 nan 0.000 0.518 409 M N -0.409 119.194 119.600 0.005 0.000 2.245 409 M HA 0.292 4.771 4.480 -0.002 0.000 0.312 409 M C -0.035 176.269 176.300 0.006 0.000 1.070 409 M CA 0.036 55.340 55.300 0.006 0.000 1.162 409 M CB 0.332 32.935 32.600 0.006 0.000 1.448 409 M HN -0.113 nan 8.290 nan 0.000 0.446 410 V N 0.546 120.463 119.914 0.006 0.000 3.406 410 V HA 0.738 4.857 4.120 -0.002 0.000 0.305 410 V C 0.740 176.838 176.094 0.006 0.000 1.136 410 V CA -0.088 62.216 62.300 0.006 0.000 1.011 410 V CB 1.274 33.101 31.823 0.006 0.000 1.221 410 V HN 1.054 nan 8.190 nan 0.000 0.454 411 T N -0.261 114.297 114.554 0.006 0.000 3.585 411 T HA 0.624 4.973 4.350 -0.002 0.000 0.252 411 T C 0.165 174.868 174.700 0.005 0.000 1.382 411 T CA 0.057 62.160 62.100 0.006 0.000 1.584 411 T CB -0.278 68.594 68.868 0.006 0.000 0.892 411 T HN 0.946 nan 8.240 nan 0.000 0.671 412 K N 0.318 120.721 120.400 0.004 0.000 2.542 412 K HA 0.586 4.905 4.320 -0.002 0.000 0.276 412 K C 0.743 177.343 176.600 0.001 0.000 0.963 412 K CA 0.246 56.535 56.287 0.003 0.000 0.975 412 K CB -0.084 32.417 32.500 0.002 0.000 0.901 412 K HN 1.194 nan 8.250 nan 0.000 0.506 413 G N 0.696 109.495 108.800 -0.001 0.000 2.454 413 G HA2 0.585 4.544 3.960 -0.002 0.000 0.329 413 G HA3 0.585 4.544 3.960 -0.002 0.000 0.329 413 G C -0.822 174.071 174.900 -0.012 0.000 1.177 413 G CA -0.458 44.640 45.100 -0.004 0.000 0.951 413 G HN 0.617 nan 8.290 nan 0.000 0.485 414 Q N -0.418 119.369 119.800 -0.021 0.000 2.413 414 Q HA 0.322 4.661 4.340 -0.002 0.000 0.276 414 Q C -0.758 175.216 176.000 -0.044 0.000 1.099 414 Q CA -0.918 54.862 55.803 -0.038 0.000 0.814 414 Q CB 2.573 31.275 28.738 -0.060 0.000 1.379 414 Q HN 0.801 nan 8.270 nan 0.000 0.436 415 N N -0.645 118.025 118.700 -0.050 0.000 2.483 415 N HA 0.246 4.985 4.740 -0.002 0.000 0.285 415 N C 0.641 176.106 175.510 -0.074 0.000 1.210 415 N CA -0.674 52.350 53.050 -0.044 0.000 0.931 415 N CB 0.759 39.231 38.487 -0.025 0.000 1.220 415 N HN 0.528 nan 8.380 nan 0.000 0.542 416 M N 0.577 120.147 119.600 -0.049 0.000 2.128 416 M HA -0.273 4.206 4.480 -0.002 0.000 0.253 416 M C 0.892 177.144 176.300 -0.080 0.000 1.079 416 M CA 2.073 57.342 55.300 -0.052 0.000 1.082 416 M CB -0.954 31.651 32.600 0.007 0.000 1.335 416 M HN 0.737 nan 8.290 nan 0.000 0.401 417 N N -1.479 117.190 118.700 -0.052 0.000 2.207 417 N HA -0.129 4.610 4.740 -0.002 0.000 0.182 417 N C 1.696 177.165 175.510 -0.069 0.000 1.020 417 N CA 1.051 54.074 53.050 -0.045 0.000 0.858 417 N CB -0.108 38.366 38.487 -0.023 0.000 0.991 417 N HN 0.547 nan 8.380 nan 0.000 0.427 418 Q N 0.498 120.255 119.800 -0.072 0.000 2.248 418 Q HA -0.132 4.207 4.340 -0.002 0.000 0.208 418 Q C 1.988 177.919 176.000 -0.114 0.000 0.984 418 Q CA 1.060 56.820 55.803 -0.072 0.000 0.875 418 Q CB 0.203 28.905 28.738 -0.058 0.000 0.910 418 Q HN 0.257 nan 8.270 nan 0.000 0.433 419 V N -0.144 119.646 119.914 -0.207 0.000 2.379 419 V HA -0.174 3.945 4.120 -0.002 0.000 0.243 419 V C 2.305 178.222 176.094 -0.295 0.000 1.035 419 V CA 1.410 63.498 62.300 -0.354 0.000 1.035 419 V CB -0.691 30.689 31.823 -0.738 0.000 0.673 419 V HN 0.369 nan 8.190 nan 0.000 0.457 420 V N -0.449 119.326 119.914 -0.232 0.000 2.469 420 V HA -0.268 3.851 4.120 -0.002 0.000 0.251 420 V C 2.023 178.125 176.094 0.015 0.000 1.064 420 V CA 2.667 64.943 62.300 -0.040 0.000 1.066 420 V CB -1.283 30.562 31.823 0.037 0.000 0.667 420 V HN 0.512 nan 8.190 nan 0.000 0.461 421 N N 1.228 119.914 118.700 -0.022 0.000 2.244 421 N HA -0.025 4.714 4.740 -0.002 0.000 0.183 421 N C 2.046 177.566 175.510 0.017 0.000 1.016 421 N CA 1.742 54.792 53.050 -0.000 0.000 0.866 421 N CB -0.373 38.105 38.487 -0.014 0.000 0.980 421 N HN 0.759 nan 8.380 nan 0.000 0.430 422 S N -0.546 115.157 115.700 0.005 0.000 2.425 422 S HA 0.076 4.545 4.470 -0.002 0.000 0.225 422 S C 2.023 176.673 174.600 0.084 0.000 1.024 422 S CA 0.521 58.740 58.200 0.033 0.000 0.951 422 S CB -0.285 62.919 63.200 0.008 0.000 0.796 422 S HN 0.026 nan 8.310 nan 0.000 0.498 423 V N 1.667 121.644 119.914 0.105 0.000 2.392 423 V HA -0.127 3.992 4.120 -0.002 0.000 0.249 423 V C 2.689 178.935 176.094 0.254 0.000 1.059 423 V CA 1.820 64.241 62.300 0.202 0.000 1.051 423 V CB -1.036 30.949 31.823 0.270 0.000 0.658 423 V HN 0.606 nan 8.190 nan 0.000 0.455 424 G N -0.710 108.206 108.800 0.194 0.000 2.408 424 G HA2 -0.085 3.874 3.960 -0.002 0.000 0.215 424 G HA3 -0.085 3.874 3.960 -0.002 0.000 0.215 424 G C 1.731 176.676 174.900 0.075 0.000 1.156 424 G CA 0.776 45.942 45.100 0.109 0.000 0.793 424 G HN 0.588 nan 8.290 nan 0.000 0.535 425 A N 0.269 123.139 122.820 0.083 0.000 2.019 425 A HA 0.107 4.425 4.320 -0.002 0.000 0.219 425 A C 2.274 179.939 177.584 0.135 0.000 1.164 425 A CA 1.428 53.517 52.037 0.086 0.000 0.644 425 A CB -0.314 18.729 19.000 0.072 0.000 0.805 425 A HN 0.367 nan 8.150 nan 0.000 0.449 426 L N -0.142 121.178 121.223 0.161 0.000 1.961 426 L HA -0.085 4.254 4.340 -0.002 0.000 0.210 426 L C 2.793 179.812 176.870 0.249 0.000 1.072 426 L CA 2.327 57.290 54.840 0.205 0.000 0.749 426 L CB -1.070 41.104 42.059 0.192 0.000 0.889 426 L HN 0.349 nan 8.230 nan 0.000 0.432 427 A N -0.525 122.450 122.820 0.259 0.000 1.849 427 A HA -0.308 4.011 4.320 -0.002 0.000 0.217 427 A C 2.296 180.030 177.584 0.249 0.000 1.202 427 A CA 2.451 54.663 52.037 0.291 0.000 0.629 427 A CB -0.780 18.403 19.000 0.304 0.000 0.834 427 A HN 0.524 nan 8.150 nan 0.000 0.447 428 K N -0.744 119.740 120.400 0.139 0.000 2.077 428 K HA -0.191 4.128 4.320 -0.002 0.000 0.213 428 K C 2.368 179.072 176.600 0.173 0.000 1.051 428 K CA 1.754 58.110 56.287 0.115 0.000 0.929 428 K CB -0.314 32.218 32.500 0.054 0.000 0.715 428 K HN 0.458 nan 8.250 nan 0.000 0.451 429 S N 0.295 116.101 115.700 0.176 0.000 2.496 429 S HA -0.024 4.445 4.470 -0.002 0.000 0.224 429 S C 1.582 176.280 174.600 0.163 0.000 0.996 429 S CA 0.192 58.486 58.200 0.158 0.000 0.927 429 S CB -0.003 63.290 63.200 0.155 0.000 0.774 429 S HN 0.188 nan 8.310 nan 0.000 0.524 430 L N 0.869 122.256 121.223 0.273 0.000 2.013 430 L HA 0.172 4.510 4.340 -0.002 0.000 0.204 430 L C 1.823 178.841 176.870 0.245 0.000 1.081 430 L CA 1.988 57.009 54.840 0.302 0.000 0.751 430 L CB -1.796 40.510 42.059 0.412 0.000 0.901 430 L HN 0.375 nan 8.230 nan 0.000 0.440 431 Y N 0.915 121.343 120.300 0.212 0.000 2.133 431 Y HA -0.372 4.176 4.550 -0.003 0.000 0.279 431 Y C 2.473 178.473 175.900 0.166 0.000 1.209 431 Y CA 2.430 60.666 58.100 0.228 0.000 1.152 431 Y CB -0.536 38.088 38.460 0.273 0.000 0.961 431 Y HN 0.627 nan 8.280 nan 0.000 0.512 432 D N -0.978 119.641 120.400 0.365 0.000 2.123 432 D HA -0.131 4.507 4.640 -0.002 0.000 0.200 432 D C 2.201 178.591 176.300 0.151 0.000 0.976 432 D CA 1.443 55.593 54.000 0.250 0.000 0.831 432 D CB -0.125 40.771 40.800 0.160 0.000 0.974 432 D HN 0.301 nan 8.370 nan 0.000 0.469 433 R N -0.463 120.070 120.500 0.055 0.000 2.073 433 R HA -0.098 4.241 4.340 -0.002 0.000 0.234 433 R C 2.475 178.782 176.300 0.012 0.000 1.134 433 R CA 1.238 57.307 56.100 -0.052 0.000 0.952 433 R CB -0.351 29.774 30.300 -0.292 0.000 0.850 433 R HN 0.320 nan 8.270 nan 0.000 0.433 434 M N -0.107 119.507 119.600 0.023 0.000 2.180 434 M HA -0.258 4.221 4.480 -0.002 0.000 0.260 434 M C 2.068 178.369 176.300 0.003 0.000 1.071 434 M CA 1.908 57.212 55.300 0.007 0.000 1.096 434 M CB -0.362 32.196 32.600 -0.072 0.000 1.276 434 M HN 0.110 nan 8.290 nan 0.000 0.426 435 F N 1.350 121.193 119.950 -0.178 0.000 2.063 435 F HA -0.416 4.109 4.527 -0.003 0.000 0.298 435 F C 2.159 177.858 175.800 -0.169 0.000 1.105 435 F CA 2.223 60.092 58.000 -0.218 0.000 1.215 435 F CB -0.615 38.286 39.000 -0.165 0.000 0.972 435 F HN 0.316 nan 8.300 nan 0.000 0.483 436 N N -0.187 118.533 118.700 0.033 0.000 2.011 436 N HA -0.319 4.420 4.740 -0.002 0.000 0.199 436 N C 1.637 177.037 175.510 -0.182 0.000 1.047 436 N CA 2.007 55.022 53.050 -0.059 0.000 0.863 436 N CB -1.382 37.123 38.487 0.031 0.000 1.056 436 N HN 0.608 nan 8.380 nan 0.000 0.427 437 W N 2.372 123.543 121.300 -0.214 0.000 2.308 437 W HA -0.145 4.514 4.660 -0.002 0.000 0.301 437 W C 2.302 178.656 176.519 -0.276 0.000 1.220 437 W CA 1.161 58.379 57.345 -0.211 0.000 1.240 437 W CB -0.656 28.696 29.460 -0.179 0.000 1.142 437 W HN 0.105 nan 8.180 nan 0.000 0.521 438 L N -0.321 120.605 121.223 -0.495 0.000 2.027 438 L HA -0.185 4.153 4.340 -0.002 0.000 0.206 438 L C 2.551 178.976 176.870 -0.741 0.000 1.074 438 L CA 1.872 56.286 54.840 -0.709 0.000 0.745 438 L CB -1.219 40.433 42.059 -0.678 0.000 0.898 438 L HN 0.128 nan 8.230 nan 0.000 0.433 439 V N -0.092 119.378 119.914 -0.740 0.000 2.295 439 V HA -0.365 3.754 4.120 -0.002 0.000 0.246 439 V C 2.922 178.738 176.094 -0.464 0.000 1.049 439 V CA 3.426 65.377 62.300 -0.580 0.000 1.024 439 V CB -1.402 30.115 31.823 -0.511 0.000 0.648 439 V HN 0.495 nan 8.190 nan 0.000 0.447 440 R N -0.047 120.171 120.500 -0.470 0.000 2.094 440 R HA -0.238 4.100 4.340 -0.002 0.000 0.239 440 R C 2.452 178.458 176.300 -0.490 0.000 1.137 440 R CA 2.320 58.171 56.100 -0.414 0.000 0.943 440 R CB -1.090 28.979 30.300 -0.385 0.000 0.850 440 R HN 0.752 nan 8.270 nan 0.000 0.433 441 R N 0.261 120.299 120.500 -0.770 0.000 2.080 441 R HA -0.053 4.286 4.340 -0.002 0.000 0.236 441 R C 2.349 178.388 176.300 -0.435 0.000 1.137 441 R CA 2.149 57.822 56.100 -0.712 0.000 0.943 441 R CB -0.977 28.636 30.300 -1.145 0.000 0.846 441 R HN 0.314 nan 8.270 nan 0.000 0.431 442 V N 1.865 121.526 119.914 -0.420 0.000 2.295 442 V HA -0.270 3.849 4.120 -0.002 0.000 0.246 442 V C 2.326 178.277 176.094 -0.238 0.000 1.049 442 V CA 2.133 64.258 62.300 -0.291 0.000 1.024 442 V CB -0.893 30.757 31.823 -0.288 0.000 0.648 442 V HN 0.528 nan 8.190 nan 0.000 0.447 443 N N 0.368 118.914 118.700 -0.257 0.000 2.132 443 N HA -0.264 4.475 4.740 -0.002 0.000 0.191 443 N C 1.841 177.250 175.510 -0.168 0.000 1.015 443 N CA 1.929 54.861 53.050 -0.197 0.000 0.864 443 N CB -0.075 38.291 38.487 -0.202 0.000 1.006 443 N HN 0.375 nan 8.380 nan 0.000 0.430 444 K N 0.265 120.548 120.400 -0.195 0.000 1.984 444 K HA 0.005 4.323 4.320 -0.002 0.000 0.209 444 K C 2.042 178.567 176.600 -0.124 0.000 1.046 444 K CA 1.441 57.636 56.287 -0.154 0.000 0.934 444 K CB -0.959 31.437 32.500 -0.173 0.000 0.717 444 K HN 0.069 nan 8.250 nan 0.000 0.438 445 T N 1.413 115.886 114.554 -0.135 0.000 2.486 445 T HA -0.184 4.165 4.350 -0.002 0.000 0.257 445 T C 1.685 176.330 174.700 -0.092 0.000 1.175 445 T CA 2.169 64.207 62.100 -0.104 0.000 1.207 445 T CB -0.551 68.253 68.868 -0.107 0.000 0.864 445 T HN 0.172 nan 8.240 nan 0.000 0.405 446 L N 0.960 122.123 121.223 -0.100 0.000 2.270 446 L HA -0.129 4.209 4.340 -0.002 0.000 0.217 446 L C 1.558 178.385 176.870 -0.072 0.000 1.107 446 L CA 0.881 55.669 54.840 -0.087 0.000 0.772 446 L CB -0.742 41.258 42.059 -0.099 0.000 0.902 446 L HN 0.276 nan 8.230 nan 0.000 0.439 447 D N 1.231 121.584 120.400 -0.079 0.000 2.941 447 D HA 0.062 4.701 4.640 -0.002 0.000 0.236 447 D C 0.964 177.226 176.300 -0.063 0.000 1.147 447 D CA 0.255 54.215 54.000 -0.068 0.000 0.975 447 D CB -0.167 40.584 40.800 -0.081 0.000 1.162 447 D HN 0.293 nan 8.370 nan 0.000 0.444 448 T N 0.431 114.952 114.554 -0.056 0.000 2.934 448 T HA 0.363 4.711 4.350 -0.002 0.000 0.306 448 T C 0.629 175.296 174.700 -0.055 0.000 1.042 448 T CA 0.213 62.281 62.100 -0.053 0.000 1.145 448 T CB 0.123 68.962 68.868 -0.048 0.000 0.982 448 T HN 0.384 nan 8.240 nan 0.000 0.544 449 K N 1.085 121.454 120.400 -0.051 0.000 2.349 449 K HA 0.712 5.030 4.320 -0.002 0.000 0.288 449 K C 0.231 176.801 176.600 -0.050 0.000 1.058 449 K CA 0.140 56.395 56.287 -0.053 0.000 0.953 449 K CB 0.023 32.496 32.500 -0.045 0.000 0.997 449 K HN 1.907 nan 8.250 nan 0.000 0.477 453 N N 0.140 118.776 118.700 -0.107 0.000 2.240 453 N HA 0.549 5.288 4.740 -0.002 0.000 0.187 453 N C 0.694 175.845 175.510 -0.598 0.000 1.042 453 N CA 2.149 55.052 53.050 -0.246 0.000 0.861 453 N CB 0.122 38.603 38.487 -0.010 0.000 1.026 453 N HN 0.841 nan 8.380 nan 0.000 0.441 454 Y N -3.090 117.327 120.300 0.194 0.000 2.982 454 Y HA 0.571 5.120 4.550 -0.003 0.000 0.312 454 Y C -1.490 174.663 175.900 0.423 0.000 1.601 454 Y CA -1.063 57.161 58.100 0.207 0.000 1.092 454 Y CB 0.780 39.259 38.460 0.032 0.000 1.918 454 Y HN 0.594 nan 8.280 nan 0.000 0.425 455 Y N -1.110 119.415 120.300 0.375 0.000 2.732 455 Y HA 0.752 5.300 4.550 -0.003 0.000 0.342 455 Y C -2.447 173.530 175.900 0.130 0.000 1.203 455 Y CA -1.834 56.443 58.100 0.295 0.000 1.092 455 Y CB 0.758 39.380 38.460 0.270 0.000 1.345 455 Y HN 0.414 nan 8.280 nan 0.000 0.458 456 I N 2.895 123.626 120.570 0.267 0.000 2.468 456 I HA 0.618 4.786 4.170 -0.002 0.000 0.284 456 I C 0.263 176.533 176.117 0.255 0.000 1.038 456 I CA -0.805 60.546 61.300 0.085 0.000 1.083 456 I CB 1.716 39.772 38.000 0.092 0.000 1.223 456 I HN 0.971 nan 8.210 nan 0.000 0.443 457 G N 4.989 113.968 108.800 0.298 0.000 2.502 457 G HA2 0.697 4.656 3.960 -0.002 0.000 0.305 457 G HA3 0.697 4.656 3.960 -0.002 0.000 0.305 457 G C -0.902 174.156 174.900 0.264 0.000 1.190 457 G CA -0.382 44.908 45.100 0.316 0.000 0.933 457 G HN 0.319 nan 8.290 nan 0.000 0.503 458 V N 1.147 121.200 119.914 0.231 0.000 2.668 458 V HA 0.358 4.476 4.120 -0.002 0.000 0.304 458 V C -0.989 175.329 176.094 0.373 0.000 1.071 458 V CA -0.800 61.641 62.300 0.235 0.000 0.894 458 V CB 1.577 33.468 31.823 0.113 0.000 1.008 458 V HN 0.634 nan 8.190 nan 0.000 0.425 459 L N 3.466 124.888 121.223 0.332 0.000 2.322 459 L HA 0.768 5.106 4.340 -0.002 0.000 0.279 459 L C -0.496 176.494 176.870 0.200 0.000 1.036 459 L CA 0.009 55.038 54.840 0.315 0.000 0.807 459 L CB 1.470 43.647 42.059 0.197 0.000 1.226 459 L HN 0.900 nan 8.230 nan 0.000 0.433 460 D N 3.694 124.203 120.400 0.182 0.000 2.823 460 D HA 0.381 5.020 4.640 -0.002 0.000 0.255 460 D C -0.919 175.421 176.300 0.067 0.000 1.257 460 D CA -0.154 53.907 54.000 0.102 0.000 0.803 460 D CB 0.147 40.986 40.800 0.065 0.000 1.384 460 D HN 0.385 nan 8.370 nan 0.000 0.541 461 I N -0.197 120.416 120.570 0.072 0.000 3.100 461 I HA 0.824 4.993 4.170 -0.002 0.000 0.312 461 I C 1.250 177.378 176.117 0.020 0.000 1.063 461 I CA -1.582 59.746 61.300 0.046 0.000 1.031 461 I CB 1.130 39.160 38.000 0.050 0.000 1.243 461 I HN 0.151 nan 8.210 nan 0.000 0.483 462 A N 1.136 123.958 122.820 0.003 0.000 2.250 462 A HA 0.592 4.910 4.320 -0.002 0.000 0.284 462 A C 0.464 178.053 177.584 0.009 0.000 1.269 462 A CA 0.588 52.627 52.037 0.003 0.000 0.834 462 A CB -0.675 18.320 19.000 -0.007 0.000 1.146 462 A HN 1.016 nan 8.150 nan 0.000 0.509 463 G N -3.065 105.736 108.800 0.002 0.000 2.816 463 G HA2 0.485 4.443 3.960 -0.002 0.000 0.288 463 G HA3 0.485 4.443 3.960 -0.002 0.000 0.288 463 G C -0.886 173.999 174.900 -0.025 0.000 1.334 463 G CA -0.688 44.424 45.100 0.019 0.000 0.978 463 G HN 0.707 nan 8.290 nan 0.000 0.493 464 F N 1.252 121.144 119.950 -0.097 0.000 2.604 464 F HA 0.326 4.851 4.527 -0.003 0.000 0.337 464 F C 0.403 176.086 175.800 -0.194 0.000 1.294 464 F CA -0.099 57.811 58.000 -0.149 0.000 1.066 464 F CB -0.148 38.768 39.000 -0.141 0.000 1.391 464 F HN 0.250 nan 8.300 nan 0.000 0.652 465 E N 5.210 125.089 120.200 -0.536 0.000 2.156 465 E HA 0.566 4.915 4.350 -0.002 0.000 0.279 465 E C -0.048 175.941 176.600 -1.018 0.000 0.965 465 E CA -0.420 55.609 56.400 -0.618 0.000 0.789 465 E CB 1.553 30.927 29.700 -0.544 0.000 1.098 465 E HN 0.497 nan 8.360 nan 0.000 0.397 466 I N 2.906 123.050 120.570 -0.710 0.000 2.377 466 I HA 0.630 4.799 4.170 -0.002 0.000 0.293 466 I C -0.790 175.087 176.117 -0.399 0.000 0.987 466 I CA -0.425 60.558 61.300 -0.528 0.000 1.185 466 I CB 0.049 37.954 38.000 -0.158 0.000 1.341 466 I HN 0.412 nan 8.210 nan 0.000 0.455 467 F N 2.077 122.021 119.950 -0.009 0.000 2.712 467 F HA 0.630 5.155 4.527 -0.003 0.000 0.367 467 F C 1.190 177.023 175.800 0.055 0.000 1.132 467 F CA -0.838 57.186 58.000 0.039 0.000 1.066 467 F CB 0.487 39.503 39.000 0.028 0.000 1.416 467 F HN 0.539 nan 8.300 nan 0.000 0.515 468 D N -0.095 120.499 120.400 0.323 0.000 2.078 468 D HA -0.138 4.501 4.640 -0.002 0.000 0.193 468 D C -0.047 176.422 176.300 0.283 0.000 0.990 468 D CA 1.838 55.977 54.000 0.232 0.000 0.827 468 D CB -0.133 40.778 40.800 0.185 0.000 0.975 468 D HN 0.145 nan 8.370 nan 0.000 0.451 469 F N 1.607 121.646 119.950 0.149 0.000 2.402 469 F HA 0.349 4.875 4.527 -0.003 0.000 0.355 469 F C -0.544 175.368 175.800 0.188 0.000 1.123 469 F CA -1.026 57.061 58.000 0.144 0.000 1.021 469 F CB 0.528 39.603 39.000 0.127 0.000 1.160 469 F HN -0.307 nan 8.300 nan 0.000 0.451 470 N N 4.680 123.180 118.700 -0.333 0.000 2.424 470 N HA 0.280 5.018 4.740 -0.002 0.000 0.271 470 N C -0.923 174.442 175.510 -0.241 0.000 0.985 470 N CA -0.097 52.788 53.050 -0.275 0.000 0.921 470 N CB 2.027 40.290 38.487 -0.375 0.000 1.149 470 N HN 0.620 nan 8.380 nan 0.000 0.492 471 S N 1.099 116.757 115.700 -0.071 0.000 2.841 471 S HA 0.343 4.812 4.470 -0.002 0.000 0.318 471 S C 0.939 175.669 174.600 0.217 0.000 1.127 471 S CA -0.529 57.821 58.200 0.250 0.000 0.883 471 S CB 0.377 63.651 63.200 0.124 0.000 1.271 471 S HN 0.387 nan 8.310 nan 0.000 0.567 472 F N 2.071 121.823 119.950 -0.331 0.000 2.176 472 F HA -0.155 4.371 4.527 -0.002 0.000 0.301 472 F C 1.718 177.193 175.800 -0.543 0.000 1.071 472 F CA 2.617 59.886 58.000 -1.218 0.000 1.289 472 F CB -0.512 37.500 39.000 -1.647 0.000 1.028 472 F HN 0.671 nan 8.300 nan 0.000 0.494 473 E N -0.156 119.806 120.200 -0.397 0.000 2.028 473 E HA -0.203 4.146 4.350 -0.002 0.000 0.190 473 E C 2.116 178.557 176.600 -0.263 0.000 0.984 473 E CA 1.437 57.608 56.400 -0.380 0.000 0.800 473 E CB -0.439 29.169 29.700 -0.152 0.000 0.758 473 E HN 0.349 nan 8.360 nan 0.000 0.448 474 Q N 0.472 120.217 119.800 -0.092 0.000 2.197 474 Q HA -0.131 4.208 4.340 -0.002 0.000 0.207 474 Q C 2.103 178.076 176.000 -0.044 0.000 0.984 474 Q CA 0.941 56.712 55.803 -0.054 0.000 0.869 474 Q CB -0.305 28.439 28.738 0.010 0.000 0.906 474 Q HN 0.280 nan 8.270 nan 0.000 0.426 475 L N -0.624 120.566 121.223 -0.054 0.000 1.955 475 L HA -0.295 4.043 4.340 -0.002 0.000 0.213 475 L C 2.005 178.771 176.870 -0.173 0.000 1.072 475 L CA 1.594 56.327 54.840 -0.177 0.000 0.755 475 L CB -0.441 41.343 42.059 -0.459 0.000 0.888 475 L HN 0.392 nan 8.230 nan 0.000 0.432 476 C N -0.052 119.032 119.300 -0.359 0.000 2.367 476 C HA -0.260 4.199 4.460 -0.002 0.000 0.276 476 C C 2.575 177.512 174.990 -0.087 0.000 1.195 476 C CA 0.766 59.639 59.018 -0.241 0.000 1.756 476 C CB -1.021 26.387 27.740 -0.553 0.000 2.046 476 C HN 0.536 nan 8.230 nan 0.000 0.453 477 I N 1.739 122.203 120.570 -0.177 0.000 2.099 477 I HA -0.196 3.973 4.170 -0.002 0.000 0.239 477 I C 2.222 178.256 176.117 -0.138 0.000 1.066 477 I CA 1.547 62.760 61.300 -0.144 0.000 1.324 477 I CB -1.100 36.800 38.000 -0.168 0.000 1.037 477 I HN 0.424 nan 8.210 nan 0.000 0.401 478 N N -0.794 117.762 118.700 -0.241 0.000 2.223 478 N HA -0.251 4.487 4.740 -0.002 0.000 0.185 478 N C 2.023 177.505 175.510 -0.047 0.000 1.016 478 N CA 1.183 54.005 53.050 -0.380 0.000 0.863 478 N CB -0.299 37.687 38.487 -0.836 0.000 0.983 478 N HN 0.374 nan 8.380 nan 0.000 0.429 479 Y N 2.953 123.200 120.300 -0.088 0.000 2.089 479 Y HA -0.238 4.311 4.550 -0.002 0.000 0.282 479 Y C 2.627 178.555 175.900 0.048 0.000 1.139 479 Y CA 1.921 60.038 58.100 0.028 0.000 1.123 479 Y CB -1.074 37.411 38.460 0.042 0.000 0.980 479 Y HN 0.058 nan 8.280 nan 0.000 0.493 480 T N -0.078 114.351 114.554 -0.210 0.000 2.544 480 T HA -0.303 4.045 4.350 -0.002 0.000 0.264 480 T C 1.813 176.434 174.700 -0.132 0.000 1.096 480 T CA 1.773 63.693 62.100 -0.300 0.000 1.181 480 T CB -1.094 67.690 68.868 -0.140 0.000 0.864 480 T HN 0.467 nan 8.240 nan 0.000 0.415 481 N N 1.336 120.024 118.700 -0.020 0.000 2.133 481 N HA -0.212 4.526 4.740 -0.002 0.000 0.193 481 N C 1.986 177.560 175.510 0.106 0.000 1.012 481 N CA 1.865 54.958 53.050 0.072 0.000 0.871 481 N CB -0.377 38.197 38.487 0.146 0.000 1.011 481 N HN 0.578 nan 8.380 nan 0.000 0.435 482 E N 1.201 121.478 120.200 0.130 0.000 2.038 482 E HA -0.123 4.226 4.350 -0.002 0.000 0.195 482 E C 2.008 178.682 176.600 0.123 0.000 1.000 482 E CA 1.190 57.685 56.400 0.157 0.000 0.803 482 E CB 0.092 29.949 29.700 0.262 0.000 0.750 482 E HN 0.148 nan 8.360 nan 0.000 0.448 483 R N -0.643 119.876 120.500 0.033 0.000 2.081 483 R HA -0.115 4.223 4.340 -0.002 0.000 0.235 483 R C 2.493 178.851 176.300 0.096 0.000 1.131 483 R CA 1.460 57.572 56.100 0.019 0.000 0.960 483 R CB -1.401 28.785 30.300 -0.190 0.000 0.856 483 R HN 0.370 nan 8.270 nan 0.000 0.436 484 L N 0.478 121.741 121.223 0.066 0.000 2.217 484 L HA -0.055 4.284 4.340 -0.002 0.000 0.211 484 L C 2.400 179.447 176.870 0.296 0.000 1.107 484 L CA 2.090 57.026 54.840 0.160 0.000 0.783 484 L CB -1.151 40.969 42.059 0.101 0.000 0.919 484 L HN 0.136 nan 8.230 nan 0.000 0.442 485 Q N -0.185 119.742 119.800 0.211 0.000 2.020 485 Q HA -0.249 4.089 4.340 -0.002 0.000 0.198 485 Q C 2.315 178.479 176.000 0.273 0.000 0.974 485 Q CA 2.295 58.216 55.803 0.196 0.000 0.829 485 Q CB -0.515 28.277 28.738 0.091 0.000 0.894 485 Q HN 0.832 nan 8.270 nan 0.000 0.433 486 Q N -1.030 118.927 119.800 0.262 0.000 2.325 486 Q HA -0.211 4.127 4.340 -0.002 0.000 0.211 486 Q C 1.626 177.891 176.000 0.443 0.000 0.988 486 Q CA 1.641 57.633 55.803 0.315 0.000 0.887 486 Q CB -0.450 28.457 28.738 0.282 0.000 0.915 486 Q HN 0.444 nan 8.270 nan 0.000 0.440 487 F N 0.215 120.299 119.950 0.224 0.000 2.113 487 F HA -0.132 4.393 4.527 -0.003 0.000 0.297 487 F C 1.673 177.573 175.800 0.166 0.000 1.103 487 F CA 1.273 59.344 58.000 0.118 0.000 1.248 487 F CB -0.930 38.078 39.000 0.012 0.000 0.999 487 F HN 0.252 nan 8.300 nan 0.000 0.475 488 F N 1.409 121.335 119.950 -0.039 0.000 2.046 488 F HA -0.248 4.277 4.527 -0.003 0.000 0.297 488 F C 2.287 177.983 175.800 -0.174 0.000 1.123 488 F CA 2.476 60.271 58.000 -0.342 0.000 1.199 488 F CB -1.089 37.592 39.000 -0.531 0.000 0.972 488 F HN 0.041 nan 8.300 nan 0.000 0.474 489 N N -0.965 117.855 118.700 0.201 0.000 2.073 489 N HA -0.379 4.359 4.740 -0.002 0.000 0.199 489 N C 2.073 177.657 175.510 0.123 0.000 1.023 489 N CA 1.754 54.917 53.050 0.189 0.000 0.880 489 N CB -0.714 37.958 38.487 0.308 0.000 1.052 489 N HN 0.530 nan 8.380 nan 0.000 0.449 490 H N -0.175 118.918 119.070 0.040 0.000 2.293 490 H HA -0.197 4.358 4.556 -0.002 0.000 0.300 490 H C 2.366 177.507 175.328 -0.313 0.000 1.082 490 H CA 1.824 57.684 56.048 -0.314 0.000 1.308 490 H CB -0.061 29.550 29.762 -0.251 0.000 1.375 490 H HN 0.319 nan 8.280 nan 0.000 0.495 491 H N 0.536 119.247 119.070 -0.598 0.000 2.289 491 H HA -0.198 4.357 4.556 -0.002 0.000 0.294 491 H C 2.428 177.360 175.328 -0.659 0.000 1.095 491 H CA 2.302 57.896 56.048 -0.757 0.000 1.256 491 H CB -0.363 28.887 29.762 -0.854 0.000 1.359 491 H HN 0.267 nan 8.280 nan 0.000 0.487 492 M N -0.606 118.511 119.600 -0.806 0.000 2.082 492 M HA -0.186 4.292 4.480 -0.002 0.000 0.258 492 M C 2.314 178.354 176.300 -0.433 0.000 1.071 492 M CA 1.679 56.544 55.300 -0.725 0.000 1.103 492 M CB -1.419 30.831 32.600 -0.582 0.000 1.307 492 M HN 0.391 nan 8.290 nan 0.000 0.409 493 F N 1.143 120.869 119.950 -0.372 0.000 2.052 493 F HA -0.371 4.155 4.527 -0.003 0.000 0.297 493 F C 2.337 177.954 175.800 -0.305 0.000 1.166 493 F CA 2.334 60.195 58.000 -0.232 0.000 1.218 493 F CB -0.518 38.377 39.000 -0.174 0.000 0.943 493 F HN 0.072 nan 8.300 nan 0.000 0.521 494 I N 0.091 120.426 120.570 -0.391 0.000 2.181 494 I HA -0.394 3.774 4.170 -0.002 0.000 0.247 494 I C 2.505 178.346 176.117 -0.461 0.000 1.081 494 I CA 1.680 62.720 61.300 -0.434 0.000 1.340 494 I CB -0.664 37.109 38.000 -0.379 0.000 1.036 494 I HN 0.370 nan 8.210 nan 0.000 0.417 495 L N 0.628 121.540 121.223 -0.518 0.000 1.994 495 L HA -0.252 4.087 4.340 -0.002 0.000 0.208 495 L C 3.158 179.742 176.870 -0.477 0.000 1.071 495 L CA 2.135 56.674 54.840 -0.503 0.000 0.745 495 L CB -0.846 40.827 42.059 -0.644 0.000 0.892 495 L HN 0.352 nan 8.230 nan 0.000 0.431 496 E N -0.306 119.587 120.200 -0.512 0.000 2.038 496 E HA -0.319 4.030 4.350 -0.002 0.000 0.195 496 E C 1.910 178.052 176.600 -0.764 0.000 1.000 496 E CA 1.754 57.782 56.400 -0.620 0.000 0.803 496 E CB -0.906 28.521 29.700 -0.454 0.000 0.750 496 E HN 0.647 nan 8.360 nan 0.000 0.448 497 Q N -0.753 118.704 119.800 -0.571 0.000 2.096 497 Q HA -0.207 4.131 4.340 -0.002 0.000 0.208 497 Q C 2.629 178.432 176.000 -0.328 0.000 0.993 497 Q CA 2.558 58.116 55.803 -0.410 0.000 0.862 497 Q CB -0.482 27.961 28.738 -0.491 0.000 0.915 497 Q HN 0.780 nan 8.270 nan 0.000 0.416 498 E N 1.553 121.554 120.200 -0.331 0.000 2.070 498 E HA -0.287 4.061 4.350 -0.002 0.000 0.197 498 E C 1.653 178.120 176.600 -0.223 0.000 1.004 498 E CA 1.675 57.933 56.400 -0.237 0.000 0.805 498 E CB -0.684 28.882 29.700 -0.224 0.000 0.744 498 E HN 0.451 nan 8.360 nan 0.000 0.451 499 E N -0.451 119.562 120.200 -0.311 0.000 2.007 499 E HA -0.185 4.164 4.350 -0.002 0.000 0.203 499 E C 1.904 178.391 176.600 -0.188 0.000 1.020 499 E CA 1.849 58.100 56.400 -0.248 0.000 0.845 499 E CB -0.677 28.818 29.700 -0.342 0.000 0.779 499 E HN 0.652 nan 8.360 nan 0.000 0.466 500 Y N 0.731 120.925 120.300 -0.176 0.000 2.029 500 Y HA -0.306 4.243 4.550 -0.002 0.000 0.269 500 Y C 2.252 178.023 175.900 -0.215 0.000 1.201 500 Y CA 1.844 59.767 58.100 -0.294 0.000 1.115 500 Y CB -1.169 37.119 38.460 -0.286 0.000 0.945 500 Y HN 0.063 nan 8.280 nan 0.000 0.497 501 K N 0.254 120.644 120.400 -0.017 0.000 2.032 501 K HA -0.164 4.155 4.320 -0.002 0.000 0.209 501 K C 2.394 178.967 176.600 -0.045 0.000 1.048 501 K CA 2.318 58.580 56.287 -0.043 0.000 0.927 501 K CB -0.973 31.490 32.500 -0.061 0.000 0.712 501 K HN 0.365 nan 8.250 nan 0.000 0.441 502 K N 1.375 121.742 120.400 -0.054 0.000 2.442 502 K HA -0.093 4.226 4.320 -0.002 0.000 0.199 502 K C 1.046 177.640 176.600 -0.010 0.000 1.044 502 K CA 1.584 57.849 56.287 -0.035 0.000 0.941 502 K CB -0.338 32.136 32.500 -0.043 0.000 0.759 502 K HN 0.182 nan 8.250 nan 0.000 0.472 503 E N -0.616 119.574 120.200 -0.017 0.000 2.736 503 E HA 0.207 4.556 4.350 -0.002 0.000 0.208 503 E C 0.814 177.395 176.600 -0.031 0.000 0.996 503 E CA -0.004 56.396 56.400 -0.001 0.000 1.104 503 E CB 0.085 29.792 29.700 0.011 0.000 1.111 503 E HN 0.535 nan 8.360 nan 0.000 0.455 504 G N 1.947 110.730 108.800 -0.028 0.000 2.360 504 G HA2 -0.313 3.645 3.960 -0.002 0.000 0.302 504 G HA3 -0.313 3.645 3.960 -0.002 0.000 0.302 504 G C 0.903 175.765 174.900 -0.064 0.000 0.985 504 G CA 1.063 46.142 45.100 -0.034 0.000 0.767 504 G HN 0.532 nan 8.290 nan 0.000 0.513 505 I N -0.425 120.079 120.570 -0.111 0.000 3.956 505 I HA 0.600 4.769 4.170 -0.002 0.000 0.333 505 I C 1.593 177.595 176.117 -0.191 0.000 1.302 505 I CA 0.278 61.469 61.300 -0.183 0.000 1.122 505 I CB -0.179 37.612 38.000 -0.349 0.000 1.013 505 I HN 0.388 nan 8.210 nan 0.000 0.405 506 A N 1.526 124.279 122.820 -0.111 0.000 2.602 506 A HA 0.065 4.384 4.320 -0.002 0.000 0.256 506 A C -0.177 177.315 177.584 -0.153 0.000 0.956 506 A CA 1.416 53.400 52.037 -0.089 0.000 0.878 506 A CB -1.237 17.729 19.000 -0.056 0.000 0.834 506 A HN 0.674 nan 8.150 nan 0.000 0.473 507 W N -0.372 120.808 121.300 -0.200 0.000 2.781 507 W HA 0.703 5.362 4.660 -0.002 0.000 0.345 507 W C 0.072 176.519 176.519 -0.122 0.000 1.085 507 W CA -0.121 57.090 57.345 -0.223 0.000 1.198 507 W CB 0.829 30.039 29.460 -0.416 0.000 1.423 507 W HN 1.602 nan 8.180 nan 0.000 0.532 508 E N 0.694 120.843 120.200 -0.085 0.000 2.598 508 E HA 0.498 4.846 4.350 -0.002 0.000 0.233 508 E C 0.103 176.711 176.600 0.013 0.000 1.173 508 E CA -0.229 56.157 56.400 -0.022 0.000 1.473 508 E CB -1.005 28.687 29.700 -0.014 0.000 1.398 508 E HN 1.832 nan 8.360 nan 0.000 0.431 509 F N -0.221 119.737 119.950 0.014 0.000 2.435 509 F HA 0.726 5.252 4.527 -0.002 0.000 0.316 509 F C 1.218 177.150 175.800 0.221 0.000 1.220 509 F CA 0.137 58.178 58.000 0.069 0.000 1.241 509 F CB 0.732 39.759 39.000 0.044 0.000 1.234 509 F HN 0.326 nan 8.300 nan 0.000 0.569 510 I N 0.242 120.948 120.570 0.226 0.000 3.493 510 I HA 0.235 4.403 4.170 -0.002 0.000 0.262 510 I C 1.714 177.833 176.117 0.002 0.000 1.085 510 I CA 1.018 62.476 61.300 0.263 0.000 1.692 510 I CB -0.347 37.713 38.000 0.101 0.000 1.712 510 I HN 0.797 nan 8.210 nan 0.000 0.412 511 D N 2.140 122.465 120.400 -0.126 0.000 3.033 511 D HA -0.094 4.544 4.640 -0.002 0.000 0.279 511 D C 0.908 177.046 176.300 -0.270 0.000 1.500 511 D CA 1.010 54.831 54.000 -0.299 0.000 1.355 511 D CB -1.661 39.032 40.800 -0.178 0.000 1.182 511 D HN 0.427 nan 8.370 nan 0.000 0.593 512 F N 0.440 120.162 119.950 -0.380 0.000 2.074 512 F HA 0.258 4.784 4.527 -0.002 0.000 0.293 512 F C 1.782 177.539 175.800 -0.072 0.000 1.116 512 F CA 0.293 58.162 58.000 -0.219 0.000 1.212 512 F CB -0.446 38.266 39.000 -0.481 0.000 0.998 512 F HN 0.338 nan 8.300 nan 0.000 0.471 513 G N 2.546 111.157 108.800 -0.316 0.000 2.457 513 G HA2 0.408 4.366 3.960 -0.002 0.000 0.316 513 G HA3 0.408 4.366 3.960 -0.002 0.000 0.316 513 G C -0.041 174.709 174.900 -0.251 0.000 1.030 513 G CA -0.537 44.530 45.100 -0.055 0.000 1.073 513 G HN 0.089 nan 8.290 nan 0.000 0.430 514 M N 1.114 120.654 119.600 -0.100 0.000 2.014 514 M HA 0.126 4.604 4.480 -0.002 0.000 0.182 514 M C 1.438 177.702 176.300 -0.060 0.000 1.082 514 M CA -0.187 55.055 55.300 -0.096 0.000 1.340 514 M CB 0.012 32.587 32.600 -0.041 0.000 1.026 514 M HN 0.425 nan 8.290 nan 0.000 0.680 515 D N 1.145 121.524 120.400 -0.035 0.000 2.426 515 D HA -0.175 4.463 4.640 -0.002 0.000 0.218 515 D C 1.683 177.992 176.300 0.014 0.000 0.978 515 D CA 0.541 54.532 54.000 -0.015 0.000 0.983 515 D CB -0.157 40.640 40.800 -0.004 0.000 0.862 515 D HN 0.266 nan 8.370 nan 0.000 0.498 516 L N 0.561 121.800 121.223 0.025 0.000 2.043 516 L HA -0.200 4.138 4.340 -0.002 0.000 0.212 516 L C 2.431 179.344 176.870 0.072 0.000 1.075 516 L CA 1.502 56.385 54.840 0.072 0.000 0.752 516 L CB -0.969 41.143 42.059 0.089 0.000 0.891 516 L HN 0.114 nan 8.230 nan 0.000 0.432 517 Q N -0.839 118.976 119.800 0.024 0.000 2.084 517 Q HA -0.205 4.134 4.340 -0.002 0.000 0.202 517 Q C 2.473 178.484 176.000 0.019 0.000 0.978 517 Q CA 2.265 58.076 55.803 0.014 0.000 0.844 517 Q CB -0.505 28.207 28.738 -0.043 0.000 0.898 517 Q HN 0.581 nan 8.270 nan 0.000 0.426 518 M N -0.002 119.601 119.600 0.005 0.000 2.126 518 M HA -0.174 4.305 4.480 -0.002 0.000 0.259 518 M C 2.564 178.875 176.300 0.019 0.000 1.073 518 M CA 2.408 57.708 55.300 -0.000 0.000 1.103 518 M CB -2.192 30.404 32.600 -0.006 0.000 1.284 518 M HN 0.507 nan 8.290 nan 0.000 0.420 519 C N -0.008 119.318 119.300 0.043 0.000 2.409 519 C HA -0.029 4.430 4.460 -0.002 0.000 0.284 519 C C 2.604 177.660 174.990 0.109 0.000 1.354 519 C CA 1.261 60.317 59.018 0.062 0.000 1.787 519 C CB -1.621 26.173 27.740 0.090 0.000 1.900 519 C HN 0.685 nan 8.230 nan 0.000 0.520 520 I N 0.545 121.195 120.570 0.133 0.000 2.206 520 I HA -0.052 4.117 4.170 -0.002 0.000 0.239 520 I C 2.224 178.401 176.117 0.100 0.000 1.078 520 I CA 1.696 63.108 61.300 0.187 0.000 1.367 520 I CB -0.535 37.590 38.000 0.207 0.000 1.078 520 I HN 0.204 nan 8.210 nan 0.000 0.413 521 D N 0.908 121.345 120.400 0.061 0.000 2.178 521 D HA -0.183 4.456 4.640 -0.002 0.000 0.201 521 D C 1.970 178.269 176.300 -0.002 0.000 0.980 521 D CA 1.013 55.029 54.000 0.027 0.000 0.842 521 D CB -0.326 40.478 40.800 0.007 0.000 0.948 521 D HN 0.212 nan 8.370 nan 0.000 0.472 522 L N 0.013 121.227 121.223 -0.015 0.000 2.642 522 L HA -0.033 4.305 4.340 -0.002 0.000 0.236 522 L C 1.437 178.312 176.870 0.007 0.000 1.169 522 L CA 0.709 55.522 54.840 -0.044 0.000 0.851 522 L CB 0.060 42.090 42.059 -0.048 0.000 0.968 522 L HN 0.016 nan 8.230 nan 0.000 0.453 523 I N -1.513 119.035 120.570 -0.037 0.000 3.366 523 I HA -0.059 4.109 4.170 -0.002 0.000 0.267 523 I C 2.201 178.227 176.117 -0.152 0.000 1.149 523 I CA 0.634 61.859 61.300 -0.126 0.000 1.436 523 I CB -0.048 37.764 38.000 -0.315 0.000 1.379 523 I HN 0.191 nan 8.210 nan 0.000 0.460 524 E N 2.384 122.489 120.200 -0.159 0.000 2.250 524 E HA 0.053 4.401 4.350 -0.002 0.000 0.192 524 E C 1.171 177.784 176.600 0.021 0.000 0.986 524 E CA 0.236 56.599 56.400 -0.061 0.000 0.849 524 E CB -0.056 29.681 29.700 0.063 0.000 0.797 524 E HN 0.230 nan 8.360 nan 0.000 0.482 525 K N 2.069 122.486 120.400 0.027 0.000 2.319 525 K HA 0.156 4.474 4.320 -0.002 0.000 0.265 525 K C -1.925 174.708 176.600 0.055 0.000 1.000 525 K CA -0.933 55.376 56.287 0.037 0.000 0.943 525 K CB -0.754 31.759 32.500 0.022 0.000 0.950 525 K HN -0.168 nan 8.250 nan 0.000 0.485 526 P HA -0.406 nan 4.420 nan 0.000 0.217 526 P C 1.929 179.286 177.300 0.096 0.000 0.937 526 P CA 3.738 66.877 63.100 0.065 0.000 1.028 526 P CB -0.032 31.699 31.700 0.051 0.000 0.735 527 M N -0.830 118.839 119.600 0.115 0.000 2.279 527 M HA 0.102 4.581 4.480 -0.002 0.000 0.264 527 M C 1.469 177.946 176.300 0.295 0.000 1.062 527 M CA 2.063 57.477 55.300 0.190 0.000 1.099 527 M CB -2.221 30.508 32.600 0.216 0.000 1.394 527 M HN 0.131 nan 8.290 nan 0.000 0.426 528 G N 0.124 109.069 108.800 0.242 0.000 3.255 528 G HA2 0.118 4.076 3.960 -0.002 0.000 0.249 528 G HA3 0.118 4.076 3.960 -0.002 0.000 0.249 528 G C 0.976 176.044 174.900 0.279 0.000 1.269 528 G CA 0.270 45.542 45.100 0.287 0.000 0.904 528 G HN 0.716 nan 8.290 nan 0.000 0.627 529 I N -0.013 120.701 120.570 0.240 0.000 2.034 529 I HA -0.207 3.962 4.170 -0.002 0.000 0.228 529 I C 2.843 179.071 176.117 0.186 0.000 1.041 529 I CA 1.322 62.733 61.300 0.185 0.000 1.321 529 I CB -0.696 37.389 38.000 0.141 0.000 1.062 529 I HN 0.409 nan 8.210 nan 0.000 0.389 530 L N 0.588 121.889 121.223 0.130 0.000 2.051 530 L HA -0.270 4.068 4.340 -0.002 0.000 0.214 530 L C 2.699 179.631 176.870 0.103 0.000 1.076 530 L CA 1.576 56.486 54.840 0.116 0.000 0.758 530 L CB -0.986 41.109 42.059 0.060 0.000 0.890 530 L HN 0.297 nan 8.230 nan 0.000 0.433 531 S N 0.155 115.910 115.700 0.093 0.000 2.380 531 S HA -0.208 4.261 4.470 -0.002 0.000 0.229 531 S C 1.903 176.569 174.600 0.110 0.000 1.043 531 S CA 1.737 59.993 58.200 0.093 0.000 1.038 531 S CB -0.426 62.832 63.200 0.097 0.000 0.872 531 S HN 0.333 nan 8.310 nan 0.000 0.456 532 I N 0.638 121.292 120.570 0.141 0.000 2.188 532 I HA -0.091 4.077 4.170 -0.002 0.000 0.237 532 I C 2.291 178.517 176.117 0.181 0.000 1.073 532 I CA 0.595 61.994 61.300 0.165 0.000 1.359 532 I CB -0.457 37.651 38.000 0.180 0.000 1.083 532 I HN 0.181 nan 8.210 nan 0.000 0.412 533 L N 1.243 122.600 121.223 0.222 0.000 2.113 533 L HA -0.324 4.015 4.340 -0.002 0.000 0.221 533 L C 2.268 179.111 176.870 -0.045 0.000 1.084 533 L CA 2.062 56.921 54.840 0.033 0.000 0.787 533 L CB -0.566 41.511 42.059 0.030 0.000 0.893 533 L HN 0.258 nan 8.230 nan 0.000 0.440 534 E N -1.100 119.111 120.200 0.018 0.000 2.338 534 E HA -0.165 4.184 4.350 -0.002 0.000 0.197 534 E C 2.092 178.697 176.600 0.009 0.000 1.007 534 E CA 0.926 57.329 56.400 0.004 0.000 0.849 534 E CB -0.089 29.631 29.700 0.032 0.000 0.774 534 E HN 0.841 nan 8.360 nan 0.000 0.506 535 E N 1.180 121.416 120.200 0.061 0.000 2.127 535 E HA -0.066 4.283 4.350 -0.002 0.000 0.191 535 E C 1.670 178.380 176.600 0.184 0.000 0.964 535 E CA 0.625 57.081 56.400 0.094 0.000 0.832 535 E CB -0.361 29.453 29.700 0.190 0.000 0.790 535 E HN 0.061 nan 8.360 nan 0.000 0.465 536 E N -0.471 119.860 120.200 0.219 0.000 2.510 536 E HA -0.031 4.318 4.350 -0.002 0.000 0.202 536 E C 1.373 178.045 176.600 0.119 0.000 1.072 536 E CA 0.751 57.310 56.400 0.266 0.000 0.883 536 E CB -1.025 28.754 29.700 0.131 0.000 0.818 536 E HN 0.583 nan 8.360 nan 0.000 0.548 537 C N -1.475 117.831 119.300 0.010 0.000 2.590 537 C HA 0.250 4.709 4.460 -0.002 0.000 0.272 537 C C 1.647 176.599 174.990 -0.064 0.000 1.338 537 C CA 0.766 59.753 59.018 -0.051 0.000 1.746 537 C CB -0.641 27.047 27.740 -0.086 0.000 2.020 537 C HN 0.618 nan 8.230 nan 0.000 0.531 538 M N -0.208 119.298 119.600 -0.156 0.000 3.494 538 M HA 0.654 5.133 4.480 -0.002 0.000 0.213 538 M C -0.738 175.200 176.300 -0.603 0.000 1.255 538 M CA 0.296 55.402 55.300 -0.323 0.000 1.360 538 M CB -1.180 31.188 32.600 -0.386 0.000 1.138 538 M HN 0.179 nan 8.290 nan 0.000 0.615 539 F N 0.002 119.946 119.950 -0.011 0.000 3.395 539 F HA 0.451 4.976 4.527 -0.002 0.000 0.382 539 F C -2.098 173.698 175.800 -0.007 0.000 1.264 539 F CA -2.072 55.925 58.000 -0.004 0.000 1.277 539 F CB 1.102 40.102 39.000 0.000 0.000 1.780 539 F HN 0.274 nan 8.300 nan 0.000 0.691 540 P HA -0.227 nan 4.420 nan 0.000 0.224 540 P C 0.757 178.104 177.300 0.079 0.000 0.880 540 P CA 2.110 65.262 63.100 0.086 0.000 1.070 540 P CB 0.104 31.847 31.700 0.071 0.000 0.652 541 K N -0.469 119.971 120.400 0.066 0.000 2.307 541 K HA 0.407 4.725 4.320 -0.002 0.000 0.219 541 K C 0.363 176.990 176.600 0.044 0.000 1.220 541 K CA 0.821 57.135 56.287 0.045 0.000 1.208 541 K CB -1.691 30.828 32.500 0.032 0.000 1.270 541 K HN 0.493 nan 8.250 nan 0.000 0.225 542 A N 2.624 125.476 122.820 0.053 0.000 2.410 542 A HA 0.538 4.857 4.320 -0.002 0.000 0.289 542 A C -0.428 177.181 177.584 0.042 0.000 1.200 542 A CA -0.586 51.480 52.037 0.049 0.000 0.751 542 A CB 0.585 19.633 19.000 0.081 0.000 1.161 542 A HN 0.701 nan 8.150 nan 0.000 0.459 543 D N 1.213 121.637 120.400 0.040 0.000 2.539 543 D HA 0.152 4.791 4.640 -0.002 0.000 0.276 543 D C -0.148 176.191 176.300 0.066 0.000 1.206 543 D CA -0.451 53.574 54.000 0.041 0.000 1.081 543 D CB 0.497 41.319 40.800 0.036 0.000 1.142 543 D HN 0.322 nan 8.370 nan 0.000 0.595 544 D N -0.409 120.032 120.400 0.068 0.000 2.133 544 D HA -0.199 4.439 4.640 -0.002 0.000 0.195 544 D C 2.001 178.377 176.300 0.125 0.000 0.997 544 D CA 2.593 56.657 54.000 0.107 0.000 0.840 544 D CB -0.206 40.638 40.800 0.073 0.000 0.947 544 D HN 0.642 nan 8.370 nan 0.000 0.452 545 K N 1.122 121.572 120.400 0.083 0.000 2.097 545 K HA -0.128 4.191 4.320 -0.002 0.000 0.206 545 K C 2.169 178.800 176.600 0.052 0.000 1.049 545 K CA 1.637 57.959 56.287 0.059 0.000 0.933 545 K CB -1.140 31.383 32.500 0.038 0.000 0.717 545 K HN 0.124 nan 8.250 nan 0.000 0.442 546 S N -0.643 115.096 115.700 0.064 0.000 2.359 546 S HA -0.110 4.358 4.470 -0.002 0.000 0.224 546 S C 1.702 176.368 174.600 0.110 0.000 1.035 546 S CA 1.492 59.725 58.200 0.055 0.000 1.018 546 S CB -0.484 62.744 63.200 0.047 0.000 0.876 546 S HN 0.562 nan 8.310 nan 0.000 0.448 547 F N 2.390 122.314 119.950 -0.044 0.000 1.980 547 F HA -0.109 4.416 4.527 -0.002 0.000 0.297 547 F C 2.499 178.263 175.800 -0.060 0.000 1.225 547 F CA 2.373 60.340 58.000 -0.056 0.000 1.176 547 F CB -1.707 37.242 39.000 -0.085 0.000 0.961 547 F HN 0.393 nan 8.300 nan 0.000 0.501 548 Q N 0.190 119.808 119.800 -0.303 0.000 2.167 548 Q HA -0.366 3.972 4.340 -0.002 0.000 0.218 548 Q C 2.010 177.874 176.000 -0.227 0.000 1.033 548 Q CA 2.704 58.274 55.803 -0.388 0.000 0.918 548 Q CB -0.750 27.910 28.738 -0.129 0.000 1.019 548 Q HN 0.616 nan 8.270 nan 0.000 0.417 549 D N -0.542 119.790 120.400 -0.114 0.000 2.158 549 D HA -0.181 4.458 4.640 -0.002 0.000 0.197 549 D C 2.066 178.298 176.300 -0.112 0.000 0.995 549 D CA 2.283 56.228 54.000 -0.092 0.000 0.846 549 D CB -0.045 40.721 40.800 -0.056 0.000 0.941 549 D HN 0.534 nan 8.370 nan 0.000 0.456 550 K N 1.066 121.399 120.400 -0.112 0.000 2.116 550 K HA 0.002 4.320 4.320 -0.002 0.000 0.203 550 K C 2.200 178.697 176.600 -0.171 0.000 1.052 550 K CA 0.389 56.613 56.287 -0.104 0.000 0.952 550 K CB -1.052 31.424 32.500 -0.040 0.000 0.729 550 K HN 0.141 nan 8.250 nan 0.000 0.446 551 L N -0.251 120.809 121.223 -0.272 0.000 2.012 551 L HA -0.199 4.139 4.340 -0.002 0.000 0.210 551 L C 3.058 179.826 176.870 -0.170 0.000 1.073 551 L CA 2.524 57.173 54.840 -0.318 0.000 0.748 551 L CB -0.485 41.186 42.059 -0.647 0.000 0.891 551 L HN 0.639 nan 8.230 nan 0.000 0.431 552 Y N -0.603 119.596 120.300 -0.168 0.000 2.133 552 Y HA -0.312 4.236 4.550 -0.002 0.000 0.287 552 Y C 2.497 178.257 175.900 -0.233 0.000 1.134 552 Y CA 1.892 59.867 58.100 -0.208 0.000 1.133 552 Y CB -1.141 37.232 38.460 -0.146 0.000 0.987 552 Y HN 0.422 nan 8.280 nan 0.000 0.502 553 Q N 0.242 119.943 119.800 -0.164 0.000 1.906 553 Q HA -0.359 3.980 4.340 -0.002 0.000 0.221 553 Q C 1.984 177.912 176.000 -0.119 0.000 1.021 553 Q CA 2.627 58.355 55.803 -0.126 0.000 0.880 553 Q CB -0.763 27.918 28.738 -0.094 0.000 0.966 553 Q HN 0.813 nan 8.270 nan 0.000 0.418 554 N N -1.087 117.541 118.700 -0.120 0.000 2.122 554 N HA -0.240 4.498 4.740 -0.002 0.000 0.199 554 N C 1.472 177.056 175.510 0.124 0.000 1.007 554 N CA 2.312 55.327 53.050 -0.057 0.000 0.892 554 N CB -0.171 38.184 38.487 -0.220 0.000 1.050 554 N HN 0.501 nan 8.380 nan 0.000 0.468 555 H N -2.959 116.046 119.070 -0.110 0.000 2.657 555 H HA 0.218 4.773 4.556 -0.002 0.000 0.262 555 H C -0.014 175.017 175.328 -0.496 0.000 0.965 555 H CA -0.725 55.221 56.048 -0.170 0.000 1.184 555 H CB 0.243 30.077 29.762 0.119 0.000 1.443 555 H HN 0.075 nan 8.280 nan 0.000 0.462 556 M N 1.691 120.865 119.600 -0.710 0.000 2.338 556 M HA 0.073 4.551 4.480 -0.002 0.000 0.360 556 M C 1.292 177.379 176.300 -0.355 0.000 1.547 556 M CA 0.700 55.524 55.300 -0.793 0.000 1.001 556 M CB -0.480 31.744 32.600 -0.627 0.000 2.008 556 M HN 0.588 nan 8.290 nan 0.000 0.464 557 G N 2.294 110.932 108.800 -0.271 0.000 2.320 557 G HA2 -0.360 3.599 3.960 -0.002 0.000 0.242 557 G HA3 -0.360 3.599 3.960 -0.002 0.000 0.242 557 G C 0.790 175.631 174.900 -0.099 0.000 1.033 557 G CA 0.882 45.897 45.100 -0.142 0.000 0.620 557 G HN 1.093 nan 8.290 nan 0.000 0.517 558 K N -0.183 120.155 120.400 -0.103 0.000 2.404 558 K HA 0.483 4.802 4.320 -0.002 0.000 0.194 558 K C 0.621 177.195 176.600 -0.042 0.000 1.023 558 K CA 1.050 57.304 56.287 -0.055 0.000 1.094 558 K CB 0.070 32.552 32.500 -0.029 0.000 0.841 558 K HN 0.665 nan 8.250 nan 0.000 0.523 559 N N -0.400 118.275 118.700 -0.042 0.000 2.455 559 N HA 0.243 4.982 4.740 -0.002 0.000 0.278 559 N C 0.110 175.633 175.510 0.021 0.000 1.291 559 N CA -0.442 52.604 53.050 -0.007 0.000 0.780 559 N CB 1.745 40.241 38.487 0.015 0.000 1.520 559 N HN 0.193 nan 8.380 nan 0.000 0.486 560 R N 0.485 121.001 120.500 0.027 0.000 2.265 560 R HA 0.284 4.622 4.340 -0.002 0.000 0.194 560 R C 1.047 177.383 176.300 0.058 0.000 0.931 560 R CA 0.316 56.437 56.100 0.034 0.000 1.032 560 R CB 0.187 30.495 30.300 0.014 0.000 0.980 560 R HN 0.354 nan 8.270 nan 0.000 0.497 561 M N 0.391 120.034 119.600 0.072 0.000 2.509 561 M HA 0.227 4.706 4.480 -0.002 0.000 0.250 561 M C 0.038 176.418 176.300 0.132 0.000 1.132 561 M CA 0.251 55.591 55.300 0.068 0.000 1.080 561 M CB 0.037 32.657 32.600 0.034 0.000 1.408 561 M HN 0.068 nan 8.290 nan 0.000 0.484 562 F N 1.750 121.700 119.950 0.000 0.000 2.449 562 F HA 0.437 4.963 4.527 -0.002 0.000 0.342 562 F C 0.119 175.932 175.800 0.022 0.000 1.127 562 F CA -0.460 57.555 58.000 0.025 0.000 0.975 562 F CB 1.072 40.105 39.000 0.055 0.000 1.146 562 F HN 0.105 nan 8.300 nan 0.000 0.444 563 T N 1.420 116.314 114.554 0.568 0.000 2.572 563 T HA 0.834 5.182 4.350 -0.002 0.000 0.274 563 T C -0.711 174.161 174.700 0.286 0.000 0.949 563 T CA -0.702 61.570 62.100 0.287 0.000 1.126 563 T CB 1.288 70.245 68.868 0.148 0.000 1.478 563 T HN 0.599 nan 8.240 nan 0.000 0.492 564 K N 0.183 120.675 120.400 0.153 0.000 2.385 564 K HA 0.851 5.170 4.320 -0.002 0.000 0.248 564 K C -3.211 173.443 176.600 0.089 0.000 0.955 564 K CA -2.230 54.133 56.287 0.126 0.000 0.816 564 K CB -0.065 32.480 32.500 0.075 0.000 1.250 564 K HN 0.706 nan 8.250 nan 0.000 0.434 565 P HA -0.024 nan 4.420 nan 0.000 0.266 565 P C 0.539 177.868 177.300 0.047 0.000 1.162 565 P CA 0.839 63.976 63.100 0.062 0.000 0.758 565 P CB 0.761 32.496 31.700 0.057 0.000 0.774 566 G N 1.614 110.440 108.800 0.043 0.000 3.182 566 G HA2 0.515 4.474 3.960 -0.002 0.000 0.167 566 G HA3 0.515 4.474 3.960 -0.002 0.000 0.167 566 G C -0.390 174.529 174.900 0.032 0.000 1.537 566 G CA -0.189 44.933 45.100 0.036 0.000 1.046 566 G HN 0.586 nan 8.290 nan 0.000 0.580 567 K N 1.429 121.847 120.400 0.030 0.000 2.257 567 K HA 0.595 4.914 4.320 -0.002 0.000 0.270 567 K C -2.283 174.336 176.600 0.031 0.000 1.098 567 K CA -1.396 54.907 56.287 0.027 0.000 0.943 567 K CB 0.211 32.726 32.500 0.024 0.000 1.316 567 K HN 0.314 nan 8.250 nan 0.000 0.447 568 P HA 0.191 nan 4.420 nan 0.000 0.232 568 P C 0.673 177.993 177.300 0.033 0.000 1.738 568 P CA 0.308 63.431 63.100 0.038 0.000 0.948 568 P CB 0.309 32.033 31.700 0.040 0.000 1.943 569 T N -0.730 113.843 114.554 0.031 0.000 3.361 569 T HA 0.148 4.496 4.350 -0.002 0.000 0.251 569 T C 1.144 175.861 174.700 0.028 0.000 1.131 569 T CA 0.218 62.333 62.100 0.026 0.000 1.001 569 T CB -0.545 68.337 68.868 0.022 0.000 1.003 569 T HN 0.223 nan 8.240 nan 0.000 0.558 570 R N 1.512 122.033 120.500 0.035 0.000 3.057 570 R HA 0.585 4.924 4.340 -0.002 0.000 0.291 570 R C -1.253 175.068 176.300 0.035 0.000 1.394 570 R CA -1.274 54.848 56.100 0.036 0.000 1.630 570 R CB -0.912 29.417 30.300 0.049 0.000 1.268 570 R HN 0.248 nan 8.270 nan 0.000 0.621 571 P HA -0.308 nan 4.420 nan 0.000 0.233 571 P C 0.122 177.437 177.300 0.025 0.000 1.141 571 P CA 1.682 64.796 63.100 0.023 0.000 0.951 571 P CB 0.168 31.878 31.700 0.016 0.000 0.778 572 N N -0.241 118.474 118.700 0.026 0.000 2.843 572 N HA 0.024 4.763 4.740 -0.002 0.000 0.284 572 N C 0.463 175.999 175.510 0.044 0.000 1.274 572 N CA 0.265 53.331 53.050 0.027 0.000 1.045 572 N CB -0.217 38.282 38.487 0.020 0.000 1.370 572 N HN 0.459 nan 8.380 nan 0.000 0.525 573 Q N -0.613 119.219 119.800 0.053 0.000 2.194 573 Q HA 0.642 4.981 4.340 -0.002 0.000 0.245 573 Q C -0.048 176.007 176.000 0.091 0.000 0.993 573 Q CA -0.897 54.955 55.803 0.082 0.000 0.930 573 Q CB 1.289 30.075 28.738 0.080 0.000 1.238 573 Q HN 0.285 nan 8.270 nan 0.000 0.486 574 G N 0.983 109.873 108.800 0.149 0.000 2.489 574 G HA2 0.567 4.525 3.960 -0.002 0.000 0.327 574 G HA3 0.567 4.525 3.960 -0.002 0.000 0.327 574 G C -2.539 172.494 174.900 0.221 0.000 1.189 574 G CA -1.318 43.889 45.100 0.179 0.000 0.962 574 G HN 0.526 nan 8.290 nan 0.000 0.486 575 P HA 0.437 nan 4.420 nan 0.000 0.286 575 P C -0.052 177.426 177.300 0.296 0.000 1.278 575 P CA 0.543 63.774 63.100 0.219 0.000 0.785 575 P CB 0.433 32.249 31.700 0.193 0.000 1.269 576 A N -2.702 120.276 122.820 0.263 0.000 2.522 576 A HA 0.402 4.721 4.320 -0.002 0.000 0.294 576 A C -0.680 177.041 177.584 0.229 0.000 1.001 576 A CA -0.443 51.760 52.037 0.276 0.000 0.642 576 A CB -0.118 18.980 19.000 0.163 0.000 1.326 576 A HN 0.676 nan 8.150 nan 0.000 0.435 577 H N -0.486 118.623 119.070 0.066 0.000 2.534 577 H HA 0.484 5.039 4.556 -0.002 0.000 0.201 577 H C 1.252 176.619 175.328 0.064 0.000 1.042 577 H CA 0.888 56.956 56.048 0.034 0.000 1.315 577 H CB -0.025 29.717 29.762 -0.033 0.000 1.268 577 H HN 0.878 nan 8.280 nan 0.000 0.474 578 F N 1.479 121.559 119.950 0.217 0.000 0.000 578 F HA 0.661 5.186 4.527 -0.002 0.000 0.000 578 F C -0.010 175.870 175.800 0.133 0.000 0.000 578 F CA -0.639 57.471 58.000 0.183 0.000 0.000 578 F CB 0.840 39.814 39.000 -0.044 0.000 0.000 578 F HN 0.205 nan 8.300 nan 0.000 0.000 579 E N 0.676 120.933 120.200 0.094 0.000 2.321 579 E HA 0.533 4.881 4.350 -0.002 0.000 0.278 579 E C -2.559 174.060 176.600 0.032 0.000 0.902 579 E CA -0.558 55.894 56.400 0.086 0.000 0.758 579 E CB 2.432 32.184 29.700 0.087 0.000 1.213 579 E HN 0.669 nan 8.360 nan 0.000 0.426 580 L N 2.465 123.709 121.223 0.035 0.000 2.346 580 L HA 0.478 4.816 4.340 -0.002 0.000 0.274 580 L C -0.132 176.660 176.870 -0.130 0.000 1.007 580 L CA -0.087 54.692 54.840 -0.102 0.000 0.818 580 L CB 1.201 43.132 42.059 -0.212 0.000 1.284 580 L HN 0.861 nan 8.230 nan 0.000 0.424 581 H N 3.026 122.033 119.070 -0.106 0.000 2.855 581 H HA 0.334 4.888 4.556 -0.002 0.000 0.238 581 H C -0.344 174.973 175.328 -0.018 0.000 1.847 581 H CA -0.538 55.489 56.048 -0.035 0.000 1.368 581 H CB -1.079 28.686 29.762 0.004 0.000 1.758 581 H HN 0.604 nan 8.280 nan 0.000 0.546 582 H N 0.142 119.283 119.070 0.118 0.000 2.629 582 H HA 0.202 4.757 4.556 -0.002 0.000 0.357 582 H C 1.901 177.168 175.328 -0.102 0.000 1.121 582 H CA 0.580 56.678 56.048 0.082 0.000 1.406 582 H CB 0.181 30.129 29.762 0.310 0.000 1.456 582 H HN 0.700 nan 8.280 nan 0.000 0.579 583 Y N 0.983 121.251 120.300 -0.053 0.000 2.030 583 Y HA -0.252 4.296 4.550 -0.002 0.000 0.272 583 Y C 2.520 178.262 175.900 -0.264 0.000 1.185 583 Y CA 2.311 60.315 58.100 -0.160 0.000 1.120 583 Y CB -1.276 37.076 38.460 -0.180 0.000 0.955 583 Y HN 0.773 nan 8.280 nan 0.000 0.495 584 A N -0.168 122.298 122.820 -0.591 0.000 2.178 584 A HA 0.394 4.712 4.320 -0.002 0.000 0.218 584 A C 1.577 179.058 177.584 -0.172 0.000 1.157 584 A CA 1.725 53.482 52.037 -0.466 0.000 0.689 584 A CB -1.189 17.357 19.000 -0.756 0.000 0.787 584 A HN 2.273 nan 8.150 nan 0.000 0.465 585 G N -1.474 107.284 108.800 -0.069 0.000 2.352 585 G HA2 0.287 4.246 3.960 -0.002 0.000 0.303 585 G HA3 0.287 4.246 3.960 -0.002 0.000 0.303 585 G C -1.628 173.345 174.900 0.122 0.000 1.593 585 G CA -0.960 44.161 45.100 0.035 0.000 0.963 585 G HN 0.103 nan 8.290 nan 0.000 0.685 586 N N 0.376 119.120 118.700 0.074 0.000 2.421 586 N HA 0.326 5.064 4.740 -0.002 0.000 0.260 586 N C 0.371 175.917 175.510 0.060 0.000 1.173 586 N CA -0.131 52.958 53.050 0.066 0.000 0.960 586 N CB 1.447 39.958 38.487 0.040 0.000 1.273 586 N HN 0.437 nan 8.380 nan 0.000 0.497 587 V N 4.604 124.576 119.914 0.096 0.000 2.439 587 V HA 0.156 4.274 4.120 -0.002 0.000 0.271 587 V C -1.851 174.089 176.094 -0.256 0.000 1.040 587 V CA -1.252 61.008 62.300 -0.068 0.000 1.002 587 V CB 0.649 32.458 31.823 -0.023 0.000 1.000 587 V HN 0.452 nan 8.190 nan 0.000 0.477 588 P HA 0.367 nan 4.420 nan 0.000 0.279 588 P C -1.112 176.012 177.300 -0.294 0.000 1.239 588 P CA -0.001 63.024 63.100 -0.125 0.000 0.789 588 P CB 0.578 32.267 31.700 -0.020 0.000 0.933 589 Y N -0.159 120.180 120.300 0.065 0.000 2.686 589 Y HA 0.641 5.190 4.550 -0.003 0.000 0.330 589 Y C 0.535 176.465 175.900 0.050 0.000 1.082 589 Y CA -0.583 57.560 58.100 0.072 0.000 1.158 589 Y CB 1.727 40.271 38.460 0.140 0.000 1.333 589 Y HN 0.140 nan 8.280 nan 0.000 0.519 590 S N 1.129 116.944 115.700 0.193 0.000 2.381 590 S HA 0.212 4.681 4.470 -0.002 0.000 0.193 590 S C 0.393 174.772 174.600 -0.368 0.000 1.287 590 S CA -0.637 57.558 58.200 -0.008 0.000 1.199 590 S CB -0.620 62.753 63.200 0.287 0.000 1.214 590 S HN 0.612 nan 8.310 nan 0.000 0.444 591 I N 2.153 122.085 120.570 -1.063 0.000 2.502 591 I HA -0.004 4.165 4.170 -0.002 0.000 0.258 591 I C 0.984 176.592 176.117 -0.848 0.000 1.172 591 I CA 1.066 61.361 61.300 -1.675 0.000 1.430 591 I CB -1.592 35.811 38.000 -0.995 0.000 1.086 591 I HN 0.464 nan 8.210 nan 0.000 0.440 592 T N 2.507 116.824 114.554 -0.395 0.000 2.561 592 T HA 0.321 4.670 4.350 -0.002 0.000 0.245 592 T C 1.137 175.927 174.700 0.150 0.000 1.071 592 T CA 1.027 63.112 62.100 -0.026 0.000 1.368 592 T CB -0.733 68.219 68.868 0.141 0.000 1.061 592 T HN 0.913 nan 8.240 nan 0.000 0.511 593 G N 3.059 111.940 108.800 0.135 0.000 3.131 593 G HA2 -0.213 3.745 3.960 -0.002 0.000 0.198 593 G HA3 -0.213 3.745 3.960 -0.002 0.000 0.198 593 G C 0.819 175.848 174.900 0.216 0.000 1.435 593 G CA 0.072 45.301 45.100 0.215 0.000 1.016 593 G HN 0.575 nan 8.290 nan 0.000 0.499 594 W N 1.131 122.342 121.300 -0.149 0.000 2.169 594 W HA -0.263 4.396 4.660 -0.001 0.000 0.340 594 W C 3.238 179.461 176.519 -0.493 0.000 1.416 594 W CA 3.990 61.081 57.345 -0.424 0.000 1.473 594 W CB -1.621 27.548 29.460 -0.486 0.000 1.071 594 W HN 0.981 nan 8.180 nan 0.000 0.487 595 L N -0.542 120.576 121.223 -0.175 0.000 2.079 595 L HA -0.105 4.234 4.340 -0.002 0.000 0.210 595 L C 2.289 179.085 176.870 -0.123 0.000 1.081 595 L CA 4.136 58.847 54.840 -0.215 0.000 0.752 595 L CB -2.162 39.793 42.059 -0.173 0.000 0.896 595 L HN 0.338 nan 8.230 nan 0.000 0.433 596 E N -0.198 119.967 120.200 -0.059 0.000 2.021 596 E HA -0.207 4.142 4.350 -0.002 0.000 0.189 596 E C 2.326 178.910 176.600 -0.026 0.000 0.980 596 E CA 1.012 57.398 56.400 -0.024 0.000 0.803 596 E CB -0.694 29.013 29.700 0.013 0.000 0.766 596 E HN 0.790 nan 8.360 nan 0.000 0.449 597 K N -0.009 120.384 120.400 -0.011 0.000 2.218 597 K HA -0.180 4.138 4.320 -0.002 0.000 0.205 597 K C 2.202 178.792 176.600 -0.015 0.000 1.046 597 K CA 1.507 57.810 56.287 0.026 0.000 0.933 597 K CB -0.130 32.441 32.500 0.117 0.000 0.728 597 K HN 0.283 nan 8.250 nan 0.000 0.454 598 N N 1.139 119.720 118.700 -0.197 0.000 2.176 598 N HA -0.079 4.659 4.740 -0.002 0.000 0.187 598 N C -0.128 175.352 175.510 -0.050 0.000 1.043 598 N CA 0.949 53.896 53.050 -0.173 0.000 0.851 598 N CB 0.153 38.414 38.487 -0.377 0.000 1.018 598 N HN 0.069 nan 8.380 nan 0.000 0.436 599 K N 0.517 120.876 120.400 -0.069 0.000 2.127 599 K HA 0.268 4.587 4.320 -0.002 0.000 0.261 599 K C -0.850 175.746 176.600 -0.005 0.000 1.129 599 K CA 0.087 56.356 56.287 -0.029 0.000 0.993 599 K CB -0.483 31.992 32.500 -0.042 0.000 1.410 599 K HN 0.198 nan 8.250 nan 0.000 0.380 600 D N 4.505 124.916 120.400 0.018 0.000 2.371 600 D HA 0.185 4.824 4.640 -0.002 0.000 0.256 600 D C -1.932 174.388 176.300 0.034 0.000 1.193 600 D CA -1.328 52.691 54.000 0.031 0.000 0.881 600 D CB 0.071 40.900 40.800 0.049 0.000 1.143 600 D HN 0.400 nan 8.370 nan 0.000 0.473 601 P HA 0.765 nan 4.420 nan 0.000 0.307 601 P C -0.528 176.805 177.300 0.055 0.000 1.306 601 P CA -0.340 62.781 63.100 0.035 0.000 0.742 601 P CB 0.415 32.129 31.700 0.024 0.000 1.349 602 I N -6.156 114.447 120.570 0.056 0.000 2.109 602 I HA 0.161 4.330 4.170 -0.002 0.000 0.318 602 I C -1.528 174.624 176.117 0.059 0.000 2.572 602 I CA -1.059 60.286 61.300 0.075 0.000 0.937 602 I CB -0.348 37.720 38.000 0.114 0.000 1.930 602 I HN -0.035 nan 8.210 nan 0.000 0.674 603 N N 2.161 120.895 118.700 0.057 0.000 2.406 603 N HA 0.460 5.198 4.740 -0.002 0.000 0.265 603 N C 1.169 176.706 175.510 0.046 0.000 1.203 603 N CA 0.764 53.838 53.050 0.040 0.000 0.945 603 N CB 1.126 39.631 38.487 0.031 0.000 1.165 603 N HN 0.893 nan 8.380 nan 0.000 0.485 604 E N 1.777 122.001 120.200 0.039 0.000 2.501 604 E HA -0.228 4.121 4.350 -0.002 0.000 0.203 604 E C 1.333 177.954 176.600 0.034 0.000 1.072 604 E CA 1.127 57.552 56.400 0.041 0.000 0.885 604 E CB -0.456 29.262 29.700 0.030 0.000 0.813 604 E HN 0.575 nan 8.360 nan 0.000 0.556 605 N N -0.244 118.472 118.700 0.027 0.000 2.322 605 N HA -0.067 4.671 4.740 -0.002 0.000 0.186 605 N C 1.852 177.368 175.510 0.010 0.000 1.037 605 N CA 1.516 54.576 53.050 0.017 0.000 0.869 605 N CB -0.031 38.464 38.487 0.013 0.000 1.036 605 N HN 0.257 nan 8.380 nan 0.000 0.439 606 V N 1.470 121.389 119.914 0.010 0.000 2.759 606 V HA -0.106 4.013 4.120 -0.002 0.000 0.256 606 V C 2.468 178.535 176.094 -0.045 0.000 1.080 606 V CA 0.857 63.149 62.300 -0.014 0.000 1.101 606 V CB -0.241 31.581 31.823 -0.003 0.000 0.698 606 V HN 0.138 nan 8.190 nan 0.000 0.477 607 V N 0.518 120.438 119.914 0.011 0.000 2.343 607 V HA -0.255 3.864 4.120 -0.002 0.000 0.247 607 V C 2.699 178.794 176.094 0.000 0.000 1.051 607 V CA 1.759 64.088 62.300 0.049 0.000 1.036 607 V CB -1.384 30.545 31.823 0.176 0.000 0.654 607 V HN 0.547 nan 8.190 nan 0.000 0.451 608 A N 0.960 123.786 122.820 0.011 0.000 1.848 608 A HA -0.259 4.059 4.320 -0.002 0.000 0.217 608 A C 2.199 179.760 177.584 -0.038 0.000 1.220 608 A CA 2.573 54.612 52.037 0.003 0.000 0.645 608 A CB -0.926 18.075 19.000 0.002 0.000 0.842 608 A HN 0.485 nan 8.150 nan 0.000 0.451 609 L N -0.669 120.518 121.223 -0.059 0.000 2.026 609 L HA -0.325 4.014 4.340 -0.002 0.000 0.231 609 L C 2.598 179.388 176.870 -0.132 0.000 1.095 609 L CA 2.076 56.866 54.840 -0.083 0.000 0.810 609 L CB -1.103 40.906 42.059 -0.084 0.000 0.909 609 L HN 0.451 nan 8.230 nan 0.000 0.444 610 L N -0.356 120.717 121.223 -0.250 0.000 2.261 610 L HA -0.159 4.179 4.340 -0.002 0.000 0.216 610 L C 2.543 179.283 176.870 -0.217 0.000 1.114 610 L CA 1.190 55.775 54.840 -0.426 0.000 0.777 610 L CB -1.167 40.212 42.059 -1.134 0.000 0.910 610 L HN 0.444 nan 8.230 nan 0.000 0.440 611 G N -0.565 108.193 108.800 -0.070 0.000 2.494 611 G HA2 0.055 4.013 3.960 -0.002 0.000 0.216 611 G HA3 0.055 4.013 3.960 -0.002 0.000 0.216 611 G C 1.245 176.149 174.900 0.006 0.000 1.140 611 G CA 0.531 45.664 45.100 0.054 0.000 0.801 611 G HN 0.411 nan 8.290 nan 0.000 0.536 612 A N 0.459 123.263 122.820 -0.027 0.000 2.684 612 A HA 0.629 4.947 4.320 -0.002 0.000 0.288 612 A C 1.085 178.639 177.584 -0.049 0.000 1.337 612 A CA 0.279 52.297 52.037 -0.030 0.000 0.946 612 A CB -0.291 18.693 19.000 -0.027 0.000 1.093 612 A HN 0.329 nan 8.150 nan 0.000 0.543 613 S N -0.223 115.441 115.700 -0.061 0.000 2.626 613 S HA 0.227 4.695 4.470 -0.002 0.000 0.257 613 S C 0.968 175.530 174.600 -0.062 0.000 1.288 613 S CA 0.021 58.178 58.200 -0.072 0.000 0.980 613 S CB 0.564 63.714 63.200 -0.084 0.000 0.975 613 S HN 0.466 nan 8.310 nan 0.000 0.577 614 K N -0.095 120.262 120.400 -0.071 0.000 2.355 614 K HA 0.211 4.529 4.320 -0.002 0.000 0.198 614 K C 0.203 176.763 176.600 -0.067 0.000 1.039 614 K CA -0.035 56.211 56.287 -0.069 0.000 1.075 614 K CB 0.262 32.712 32.500 -0.082 0.000 0.870 614 K HN 0.621 nan 8.250 nan 0.000 0.540 615 E N 2.063 122.223 120.200 -0.068 0.000 2.259 615 E HA 0.056 4.404 4.350 -0.002 0.000 0.281 615 E C -2.086 174.467 176.600 -0.079 0.000 1.037 615 E CA -2.372 53.987 56.400 -0.068 0.000 0.854 615 E CB 1.120 30.784 29.700 -0.060 0.000 1.051 615 E HN -0.164 nan 8.360 nan 0.000 0.409 616 P HA -0.232 nan 4.420 nan 0.000 0.216 616 P C 1.171 178.378 177.300 -0.155 0.000 1.157 616 P CA 0.818 63.859 63.100 -0.099 0.000 0.880 616 P CB 0.134 31.779 31.700 -0.091 0.000 0.791 617 L N -0.523 120.569 121.223 -0.219 0.000 1.925 617 L HA -0.135 4.203 4.340 -0.002 0.000 0.214 617 L C 2.207 178.938 176.870 -0.230 0.000 1.091 617 L CA 1.678 56.300 54.840 -0.363 0.000 0.768 617 L CB -1.405 40.392 42.059 -0.437 0.000 0.887 617 L HN -0.208 nan 8.230 nan 0.000 0.433 618 V N 0.791 120.633 119.914 -0.120 0.000 2.265 618 V HA -0.474 3.645 4.120 -0.002 0.000 0.259 618 V C 2.767 178.920 176.094 0.099 0.000 1.084 618 V CA 2.518 64.839 62.300 0.034 0.000 1.076 618 V CB -1.935 29.886 31.823 -0.003 0.000 0.680 618 V HN 0.742 nan 8.190 nan 0.000 0.452 619 A N -0.176 122.646 122.820 0.004 0.000 1.873 619 A HA -0.344 3.974 4.320 -0.002 0.000 0.218 619 A C 2.206 179.809 177.584 0.031 0.000 1.193 619 A CA 2.538 54.586 52.037 0.019 0.000 0.629 619 A CB -0.689 18.296 19.000 -0.024 0.000 0.826 619 A HN 0.690 nan 8.150 nan 0.000 0.447 620 E N 0.279 120.448 120.200 -0.051 0.000 2.118 620 E HA -0.179 4.170 4.350 -0.002 0.000 0.195 620 E C 1.785 178.352 176.600 -0.055 0.000 0.992 620 E CA 1.571 57.928 56.400 -0.071 0.000 0.804 620 E CB -0.507 29.087 29.700 -0.176 0.000 0.741 620 E HN 0.624 nan 8.360 nan 0.000 0.458 621 L N -0.890 120.294 121.223 -0.065 0.000 2.012 621 L HA -0.135 4.204 4.340 -0.002 0.000 0.210 621 L C 1.143 177.892 176.870 -0.203 0.000 1.073 621 L CA 1.073 55.837 54.840 -0.126 0.000 0.748 621 L CB -0.361 41.672 42.059 -0.043 0.000 0.891 621 L HN 0.138 nan 8.230 nan 0.000 0.431 622 F N 0.298 120.231 119.950 -0.028 0.000 2.925 622 F HA 0.178 4.704 4.527 -0.002 0.000 0.302 622 F C 0.843 176.640 175.800 -0.005 0.000 1.189 622 F CA -1.125 56.873 58.000 -0.004 0.000 1.346 622 F CB -0.460 38.541 39.000 0.002 0.000 0.954 622 F HN -0.017 nan 8.300 nan 0.000 0.506 623 K N 0.768 121.235 120.400 0.112 0.000 2.416 623 K HA 0.527 4.846 4.320 -0.002 0.000 0.283 623 K C 0.063 176.701 176.600 0.064 0.000 1.037 623 K CA -0.228 56.102 56.287 0.072 0.000 0.995 623 K CB 0.944 33.467 32.500 0.039 0.000 0.938 623 K HN 0.149 nan 8.250 nan 0.000 0.475 624 A N 5.137 127.995 122.820 0.064 0.000 2.404 624 A HA 0.232 4.551 4.320 -0.002 0.000 0.273 624 A C -2.038 175.567 177.584 0.035 0.000 1.144 624 A CA -1.532 50.537 52.037 0.054 0.000 0.806 624 A CB -0.353 18.678 19.000 0.052 0.000 1.080 624 A HN 0.677 nan 8.150 nan 0.000 0.509 625 P HA 0.246 nan 4.420 nan 0.000 0.247 625 P C 0.957 178.269 177.300 0.021 0.000 1.147 625 P CA 1.216 64.330 63.100 0.022 0.000 0.964 625 P CB 0.152 31.864 31.700 0.020 0.000 0.944 626 E N 4.341 124.552 120.200 0.019 0.000 3.677 626 E HA -0.082 4.266 4.350 -0.002 0.000 0.523 626 E C 0.844 177.452 176.600 0.013 0.000 0.493 626 E CA 0.244 56.653 56.400 0.016 0.000 3.274 626 E CB -1.002 28.706 29.700 0.015 0.000 1.915 626 E HN 0.616 nan 8.360 nan 0.000 0.413 644 T N -0.720 113.861 114.554 0.045 0.000 2.910 644 T HA 0.592 4.940 4.350 -0.002 0.000 0.293 644 T C 1.545 176.301 174.700 0.092 0.000 1.015 644 T CA -0.136 61.995 62.100 0.051 0.000 1.094 644 T CB 1.115 69.999 68.868 0.027 0.000 0.968 644 T HN 0.395 nan 8.240 nan 0.000 0.521 645 I N 1.519 122.156 120.570 0.113 0.000 2.143 645 I HA -0.330 3.839 4.170 -0.002 0.000 0.245 645 I C 2.821 179.061 176.117 0.206 0.000 1.068 645 I CA 2.196 63.590 61.300 0.158 0.000 1.326 645 I CB -0.401 37.721 38.000 0.203 0.000 1.028 645 I HN 0.899 nan 8.210 nan 0.000 0.412 646 S N 0.953 116.799 115.700 0.242 0.000 2.338 646 S HA -0.142 4.327 4.470 -0.002 0.000 0.218 646 S C 2.264 176.989 174.600 0.208 0.000 1.032 646 S CA 0.839 59.198 58.200 0.265 0.000 0.999 646 S CB -0.798 62.547 63.200 0.242 0.000 0.905 646 S HN 0.436 nan 8.310 nan 0.000 0.439 647 A N 1.613 124.518 122.820 0.142 0.000 1.948 647 A HA 0.010 4.329 4.320 -0.002 0.000 0.220 647 A C 2.387 180.041 177.584 0.117 0.000 1.177 647 A CA 1.851 53.954 52.037 0.110 0.000 0.636 647 A CB -1.218 17.826 19.000 0.075 0.000 0.815 647 A HN 0.476 nan 8.150 nan 0.000 0.449 648 V N -0.747 119.248 119.914 0.136 0.000 2.229 648 V HA -0.272 3.847 4.120 -0.002 0.000 0.243 648 V C 2.421 178.620 176.094 0.176 0.000 1.042 648 V CA 2.435 64.817 62.300 0.138 0.000 1.000 648 V CB -1.190 30.717 31.823 0.140 0.000 0.637 648 V HN 0.802 nan 8.190 nan 0.000 0.446 649 H N 1.269 120.408 119.070 0.116 0.000 2.265 649 H HA -0.264 4.291 4.556 -0.003 0.000 0.293 649 H C 2.342 177.742 175.328 0.119 0.000 1.089 649 H CA 3.403 59.526 56.048 0.126 0.000 1.244 649 H CB -0.443 29.383 29.762 0.107 0.000 1.355 649 H HN 0.287 nan 8.280 nan 0.000 0.485 650 R N 0.646 121.173 120.500 0.045 0.000 2.103 650 R HA -0.164 4.175 4.340 -0.002 0.000 0.242 650 R C 2.401 178.687 176.300 -0.022 0.000 1.142 650 R CA 2.107 58.216 56.100 0.015 0.000 0.960 650 R CB -1.374 29.007 30.300 0.136 0.000 0.858 650 R HN 0.602 nan 8.270 nan 0.000 0.439 651 E N 0.890 121.106 120.200 0.026 0.000 2.072 651 E HA -0.119 4.230 4.350 -0.002 0.000 0.191 651 E C 2.216 178.831 176.600 0.024 0.000 0.985 651 E CA 1.946 58.364 56.400 0.030 0.000 0.801 651 E CB -0.181 29.550 29.700 0.052 0.000 0.750 651 E HN 0.685 nan 8.360 nan 0.000 0.452 652 S N -0.610 115.117 115.700 0.045 0.000 2.561 652 S HA 0.021 4.489 4.470 -0.002 0.000 0.225 652 S C 1.890 176.520 174.600 0.050 0.000 0.977 652 S CA 0.276 58.544 58.200 0.112 0.000 0.926 652 S CB -0.100 63.239 63.200 0.233 0.000 0.769 652 S HN 0.342 nan 8.310 nan 0.000 0.533 653 L N 0.993 122.129 121.223 -0.145 0.000 2.298 653 L HA 0.143 4.482 4.340 -0.002 0.000 0.209 653 L C 1.953 178.710 176.870 -0.189 0.000 1.084 653 L CA 0.501 55.162 54.840 -0.299 0.000 0.816 653 L CB -0.309 41.431 42.059 -0.531 0.000 0.967 653 L HN 0.312 nan 8.230 nan 0.000 0.460 654 N N 0.507 119.143 118.700 -0.106 0.000 2.188 654 N HA -0.242 4.497 4.740 -0.002 0.000 0.184 654 N C 1.574 177.052 175.510 -0.052 0.000 1.018 654 N CA 1.104 54.111 53.050 -0.072 0.000 0.858 654 N CB -0.046 38.420 38.487 -0.035 0.000 0.989 654 N HN 0.335 nan 8.380 nan 0.000 0.426 655 K N 1.151 121.540 120.400 -0.018 0.000 1.977 655 K HA -0.180 4.139 4.320 -0.002 0.000 0.218 655 K C 2.099 178.691 176.600 -0.013 0.000 1.051 655 K CA 1.192 57.491 56.287 0.020 0.000 0.953 655 K CB -0.426 32.119 32.500 0.074 0.000 0.727 655 K HN -0.036 nan 8.250 nan 0.000 0.445 656 L N 1.161 122.353 121.223 -0.052 0.000 2.010 656 L HA -0.294 4.044 4.340 -0.002 0.000 0.219 656 L C 2.261 178.985 176.870 -0.242 0.000 1.077 656 L CA 2.046 56.756 54.840 -0.217 0.000 0.773 656 L CB -0.603 41.240 42.059 -0.360 0.000 0.892 656 L HN 0.397 nan 8.230 nan 0.000 0.436 657 M N -0.133 119.359 119.600 -0.179 0.000 2.059 657 M HA -0.174 4.305 4.480 -0.002 0.000 0.259 657 M C 2.554 178.888 176.300 0.056 0.000 1.072 657 M CA 2.595 57.848 55.300 -0.078 0.000 1.117 657 M CB -1.844 30.736 32.600 -0.034 0.000 1.320 657 M HN 0.388 nan 8.290 nan 0.000 0.408 658 K N 0.794 121.191 120.400 -0.005 0.000 2.089 658 K HA -0.223 4.096 4.320 -0.002 0.000 0.210 658 K C 1.722 178.373 176.600 0.085 0.000 1.048 658 K CA 2.297 58.595 56.287 0.019 0.000 0.926 658 K CB -1.941 30.562 32.500 0.006 0.000 0.714 658 K HN 0.691 nan 8.250 nan 0.000 0.448 659 N N -0.014 118.720 118.700 0.056 0.000 2.028 659 N HA -0.046 4.692 4.740 -0.002 0.000 0.194 659 N C 1.991 177.535 175.510 0.057 0.000 1.050 659 N CA 1.331 54.446 53.050 0.109 0.000 0.848 659 N CB -0.267 38.296 38.487 0.127 0.000 1.038 659 N HN 0.292 nan 8.380 nan 0.000 0.423 660 L N 0.192 121.330 121.223 -0.142 0.000 2.064 660 L HA -0.260 4.078 4.340 -0.002 0.000 0.216 660 L C 1.941 178.636 176.870 -0.291 0.000 1.077 660 L CA 1.509 56.136 54.840 -0.354 0.000 0.766 660 L CB -0.686 40.849 42.059 -0.874 0.000 0.890 660 L HN 0.327 nan 8.230 nan 0.000 0.435 661 Y N -0.499 119.659 120.300 -0.236 0.000 2.497 661 Y HA -0.148 4.401 4.550 -0.002 0.000 0.292 661 Y C 2.625 178.573 175.900 0.079 0.000 1.137 661 Y CA 1.003 59.114 58.100 0.018 0.000 1.285 661 Y CB -0.171 38.307 38.460 0.029 0.000 0.991 661 Y HN 0.265 nan 8.280 nan 0.000 0.556 662 S N -1.261 114.548 115.700 0.181 0.000 2.660 662 S HA 0.095 4.564 4.470 -0.002 0.000 0.227 662 S C 0.702 175.360 174.600 0.096 0.000 0.948 662 S CA 0.085 58.375 58.200 0.150 0.000 0.948 662 S CB -0.854 62.448 63.200 0.169 0.000 0.779 662 S HN 0.310 nan 8.310 nan 0.000 0.487 663 T N -1.541 113.059 114.554 0.077 0.000 2.768 663 T HA 0.436 4.784 4.350 -0.002 0.000 0.268 663 T C -0.842 173.875 174.700 0.029 0.000 0.969 663 T CA -0.742 61.372 62.100 0.024 0.000 1.008 663 T CB 1.263 70.147 68.868 0.027 0.000 1.371 663 T HN 0.280 nan 8.240 nan 0.000 0.587 664 H N 1.203 120.213 119.070 -0.100 0.000 2.953 664 H HA 0.468 5.023 4.556 -0.002 0.000 0.290 664 H C -3.115 172.108 175.328 -0.175 0.000 1.113 664 H CA -2.085 53.862 56.048 -0.169 0.000 1.454 664 H CB 1.307 30.998 29.762 -0.118 0.000 1.525 664 H HN 0.324 nan 8.280 nan 0.000 0.505 665 P HA 0.126 nan 4.420 nan 0.000 0.270 665 P C -0.565 176.409 177.300 -0.543 0.000 1.223 665 P CA 0.527 63.286 63.100 -0.568 0.000 0.785 665 P CB 0.691 31.751 31.700 -1.067 0.000 0.923 666 H N 0.259 118.915 119.070 -0.689 0.000 3.079 666 H HA 0.356 4.912 4.556 -0.001 0.000 0.356 666 H C -1.211 173.761 175.328 -0.594 0.000 1.221 666 H CA -0.221 55.633 56.048 -0.324 0.000 1.185 666 H CB 1.170 30.867 29.762 -0.109 0.000 1.882 666 H HN 0.259 nan 8.280 nan 0.000 0.543 667 F N 1.155 121.228 119.950 0.205 0.000 2.539 667 F HA 0.288 4.814 4.527 -0.002 0.000 0.328 667 F C -0.067 175.934 175.800 0.335 0.000 1.148 667 F CA -0.790 57.370 58.000 0.267 0.000 0.940 667 F CB 1.740 40.903 39.000 0.271 0.000 1.194 667 F HN 0.096 nan 8.300 nan 0.000 0.438 668 V N 4.627 124.781 119.914 0.402 0.000 2.294 668 V HA 0.420 4.539 4.120 -0.002 0.000 0.272 668 V C 0.029 176.279 176.094 0.261 0.000 1.027 668 V CA -0.834 61.660 62.300 0.323 0.000 0.823 668 V CB 0.698 32.665 31.823 0.241 0.000 1.030 668 V HN 0.558 nan 8.190 nan 0.000 0.457 669 R N 3.070 123.701 120.500 0.219 0.000 2.202 669 R HA 0.409 4.747 4.340 -0.002 0.000 0.334 669 R C -0.673 175.634 176.300 0.011 0.000 1.036 669 R CA -0.241 55.892 56.100 0.055 0.000 0.878 669 R CB 1.134 31.349 30.300 -0.141 0.000 1.067 669 R HN 0.584 nan 8.270 nan 0.000 0.457 670 C N 5.049 124.350 119.300 0.002 0.000 2.365 670 C HA 0.667 5.126 4.460 -0.002 0.000 0.351 670 C C 0.630 175.583 174.990 -0.060 0.000 1.240 670 C CA -0.618 58.380 59.018 -0.035 0.000 2.062 670 C CB 0.061 27.793 27.740 -0.014 0.000 2.387 670 C HN 0.812 nan 8.230 nan 0.000 0.537 671 I N 1.517 122.026 120.570 -0.100 0.000 2.571 671 I HA 0.513 4.681 4.170 -0.002 0.000 0.289 671 I C -0.678 175.379 176.117 -0.101 0.000 1.115 671 I CA -0.636 60.611 61.300 -0.088 0.000 1.045 671 I CB 1.132 39.072 38.000 -0.100 0.000 1.238 671 I HN 0.615 nan 8.210 nan 0.000 0.424 672 I N 7.587 128.141 120.570 -0.027 0.000 2.588 672 I HA 0.244 4.412 4.170 -0.002 0.000 0.283 672 I C -1.744 174.403 176.117 0.051 0.000 1.119 672 I CA -1.663 59.660 61.300 0.038 0.000 1.419 672 I CB 1.765 39.821 38.000 0.093 0.000 1.394 672 I HN 0.548 nan 8.210 nan 0.000 0.562 673 P HA 0.112 nan 4.420 nan 0.000 0.238 673 P C -1.377 176.009 177.300 0.143 0.000 1.183 673 P CA 0.265 63.446 63.100 0.135 0.000 0.813 673 P CB 0.234 32.095 31.700 0.268 0.000 0.944 674 N N -3.008 115.775 118.700 0.138 0.000 3.185 674 N HA 0.131 4.870 4.740 -0.002 0.000 0.238 674 N C -0.324 175.189 175.510 0.006 0.000 1.451 674 N CA -0.682 52.401 53.050 0.056 0.000 0.888 674 N CB 0.095 38.604 38.487 0.036 0.000 1.413 674 N HN -0.376 nan 8.380 nan 0.000 0.511 675 E N 0.152 120.339 120.200 -0.022 0.000 2.403 675 E HA 0.174 4.523 4.350 -0.002 0.000 0.187 675 E C 0.311 176.858 176.600 -0.090 0.000 1.073 675 E CA 0.228 56.602 56.400 -0.042 0.000 0.888 675 E CB -0.118 29.562 29.700 -0.032 0.000 1.035 675 E HN 0.565 nan 8.360 nan 0.000 0.471 676 L N -0.318 120.819 121.223 -0.142 0.000 2.858 676 L HA 0.208 4.546 4.340 -0.002 0.000 0.251 676 L C 0.372 177.043 176.870 -0.332 0.000 1.149 676 L CA -0.207 54.526 54.840 -0.178 0.000 0.955 676 L CB 0.057 42.046 42.059 -0.116 0.000 1.289 676 L HN -0.078 nan 8.230 nan 0.000 0.542 677 K N 0.670 120.669 120.400 -0.668 0.000 2.960 677 K HA -0.230 4.089 4.320 -0.002 0.000 0.259 677 K C -0.090 176.026 176.600 -0.806 0.000 1.025 677 K CA 0.778 56.245 56.287 -1.367 0.000 0.756 677 K CB -1.295 30.849 32.500 -0.594 0.000 1.221 677 K HN 0.496 nan 8.250 nan 0.000 0.483 678 Q N 0.174 119.702 119.800 -0.453 0.000 2.290 678 Q HA 0.269 4.608 4.340 -0.002 0.000 0.259 678 Q C -2.439 173.583 176.000 0.037 0.000 0.941 678 Q CA -2.175 53.550 55.803 -0.131 0.000 0.912 678 Q CB 1.425 30.113 28.738 -0.083 0.000 1.244 678 Q HN -0.059 nan 8.270 nan 0.000 0.441 679 P HA -0.026 nan 4.420 nan 0.000 0.270 679 P C 0.572 177.854 177.300 -0.030 0.000 1.223 679 P CA 0.531 63.720 63.100 0.149 0.000 0.785 679 P CB 0.511 32.282 31.700 0.119 0.000 0.923 680 G N 0.721 109.351 108.800 -0.283 0.000 2.186 680 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.266 680 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.266 680 G C -0.092 174.683 174.900 -0.209 0.000 0.982 680 G CA 0.289 45.122 45.100 -0.445 0.000 0.670 680 G HN 0.572 nan 8.290 nan 0.000 0.533 681 L N 1.555 122.761 121.223 -0.028 0.000 2.287 681 L HA 0.721 5.060 4.340 -0.002 0.000 0.280 681 L C 0.506 177.465 176.870 0.148 0.000 1.055 681 L CA -0.754 54.113 54.840 0.044 0.000 0.863 681 L CB 1.297 43.373 42.059 0.028 0.000 1.245 681 L HN -0.011 nan 8.230 nan 0.000 0.432 682 V N 3.548 123.548 119.914 0.144 0.000 3.336 682 V HA 0.406 4.524 4.120 -0.002 0.000 0.304 682 V C -0.152 176.009 176.094 0.111 0.000 1.073 682 V CA -0.461 61.947 62.300 0.181 0.000 1.074 682 V CB 1.573 33.503 31.823 0.177 0.000 1.161 682 V HN 0.801 nan 8.190 nan 0.000 0.460 683 D N -0.080 120.378 120.400 0.097 0.000 2.474 683 D HA 0.302 4.940 4.640 -0.002 0.000 0.234 683 D C 0.613 176.952 176.300 0.064 0.000 1.323 683 D CA 0.211 54.251 54.000 0.066 0.000 0.915 683 D CB 1.306 42.135 40.800 0.048 0.000 1.487 683 D HN 0.531 nan 8.370 nan 0.000 0.524 684 A N 3.166 126.030 122.820 0.074 0.000 1.929 684 A HA -0.275 4.044 4.320 -0.002 0.000 0.221 684 A C 1.889 179.514 177.584 0.068 0.000 1.211 684 A CA 1.518 53.604 52.037 0.082 0.000 0.657 684 A CB -0.222 18.836 19.000 0.097 0.000 0.827 684 A HN 0.585 nan 8.150 nan 0.000 0.462 685 E N -0.776 119.447 120.200 0.039 0.000 2.065 685 E HA -0.234 4.114 4.350 -0.002 0.000 0.201 685 E C 2.018 178.648 176.600 0.050 0.000 1.016 685 E CA 1.588 58.004 56.400 0.028 0.000 0.818 685 E CB -0.668 29.017 29.700 -0.025 0.000 0.749 685 E HN 0.561 nan 8.360 nan 0.000 0.453 686 L N 0.907 122.143 121.223 0.021 0.000 1.955 686 L HA -0.190 4.149 4.340 -0.002 0.000 0.213 686 L C 2.462 179.393 176.870 0.101 0.000 1.072 686 L CA 1.650 56.516 54.840 0.043 0.000 0.755 686 L CB -1.002 41.076 42.059 0.031 0.000 0.888 686 L HN -0.052 nan 8.230 nan 0.000 0.432 687 V N 0.045 120.001 119.914 0.070 0.000 2.220 687 V HA -0.379 3.740 4.120 -0.002 0.000 0.250 687 V C 2.649 178.779 176.094 0.061 0.000 1.056 687 V CA 2.393 64.722 62.300 0.048 0.000 1.016 687 V CB -0.948 30.896 31.823 0.035 0.000 0.639 687 V HN 0.529 nan 8.190 nan 0.000 0.446 688 L N -0.912 120.362 121.223 0.086 0.000 1.963 688 L HA -0.303 4.036 4.340 -0.002 0.000 0.220 688 L C 2.572 179.498 176.870 0.094 0.000 1.076 688 L CA 2.454 57.348 54.840 0.090 0.000 0.772 688 L CB -1.100 41.032 42.059 0.123 0.000 0.892 688 L HN 0.368 nan 8.230 nan 0.000 0.435 689 H N -0.074 119.009 119.070 0.022 0.000 2.304 689 H HA -0.283 4.271 4.556 -0.003 0.000 0.287 689 H C 2.415 177.751 175.328 0.015 0.000 1.112 689 H CA 2.532 58.596 56.048 0.026 0.000 1.200 689 H CB -0.126 29.660 29.762 0.040 0.000 1.349 689 H HN 0.381 nan 8.280 nan 0.000 0.477 690 Q N -0.348 119.530 119.800 0.129 0.000 1.993 690 Q HA -0.140 4.198 4.340 -0.002 0.000 0.202 690 Q C 2.675 178.651 176.000 -0.040 0.000 0.984 690 Q CA 1.553 57.379 55.803 0.039 0.000 0.837 690 Q CB -0.269 28.486 28.738 0.027 0.000 0.902 690 Q HN 0.448 nan 8.270 nan 0.000 0.423 691 L N 0.636 121.830 121.223 -0.048 0.000 2.151 691 L HA -0.356 3.983 4.340 -0.002 0.000 0.215 691 L C 3.002 179.800 176.870 -0.121 0.000 1.084 691 L CA 1.978 56.758 54.840 -0.100 0.000 0.764 691 L CB -0.956 41.063 42.059 -0.068 0.000 0.891 691 L HN 0.423 nan 8.230 nan 0.000 0.435 692 Q N -0.878 118.866 119.800 -0.093 0.000 1.994 692 Q HA -0.212 4.127 4.340 -0.002 0.000 0.198 692 Q C 2.121 178.031 176.000 -0.151 0.000 0.976 692 Q CA 1.980 57.715 55.803 -0.114 0.000 0.828 692 Q CB -1.429 27.243 28.738 -0.109 0.000 0.894 692 Q HN 0.717 nan 8.270 nan 0.000 0.432 693 C N 0.289 119.513 119.300 -0.125 0.000 2.576 693 C HA 0.156 4.614 4.460 -0.002 0.000 0.267 693 C C 2.348 177.285 174.990 -0.088 0.000 1.364 693 C CA 0.029 58.988 59.018 -0.099 0.000 1.723 693 C CB -1.369 26.429 27.740 0.097 0.000 1.778 693 C HN 0.803 nan 8.230 nan 0.000 0.572 694 N N 1.291 119.908 118.700 -0.139 0.000 2.080 694 N HA 0.103 4.842 4.740 -0.002 0.000 0.189 694 N C 1.607 176.926 175.510 -0.319 0.000 1.036 694 N CA 2.681 55.611 53.050 -0.199 0.000 0.846 694 N CB -0.098 38.244 38.487 -0.242 0.000 1.015 694 N HN 0.466 nan 8.380 nan 0.000 0.423 695 G N -1.739 106.824 108.800 -0.394 0.000 2.624 695 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.190 695 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.190 695 G C 0.966 175.511 174.900 -0.591 0.000 1.008 695 G CA 0.360 45.177 45.100 -0.472 0.000 0.731 695 G HN 0.589 nan 8.290 nan 0.000 0.478 696 V N 0.038 119.494 119.914 -0.762 0.000 2.913 696 V HA 0.261 4.379 4.120 -0.002 0.000 0.260 696 V C 2.356 178.352 176.094 -0.164 0.000 1.098 696 V CA 1.908 63.903 62.300 -0.509 0.000 1.121 696 V CB -0.547 31.003 31.823 -0.454 0.000 0.714 696 V HN 0.399 nan 8.190 nan 0.000 0.487 697 L N 0.313 121.440 121.223 -0.160 0.000 2.187 697 L HA 0.205 4.543 4.340 -0.002 0.000 0.197 697 L C 3.165 180.012 176.870 -0.038 0.000 1.090 697 L CA 1.281 56.075 54.840 -0.077 0.000 0.781 697 L CB -1.029 40.982 42.059 -0.081 0.000 0.956 697 L HN 0.360 nan 8.230 nan 0.000 0.463 698 E N 0.671 120.833 120.200 -0.063 0.000 2.401 698 E HA -0.103 4.246 4.350 -0.002 0.000 0.199 698 E C 1.959 178.584 176.600 0.042 0.000 1.023 698 E CA 1.182 57.568 56.400 -0.024 0.000 0.859 698 E CB -1.065 28.598 29.700 -0.060 0.000 0.780 698 E HN 0.618 nan 8.360 nan 0.000 0.523 699 G N 0.142 108.971 108.800 0.049 0.000 2.459 699 G HA2 0.173 4.132 3.960 -0.002 0.000 0.213 699 G HA3 0.173 4.132 3.960 -0.002 0.000 0.213 699 G C 1.893 176.909 174.900 0.193 0.000 1.155 699 G CA 1.534 46.755 45.100 0.202 0.000 0.811 699 G HN 0.852 nan 8.290 nan 0.000 0.534 700 I N 2.297 122.937 120.570 0.116 0.000 2.233 700 I HA 0.061 4.229 4.170 -0.002 0.000 0.243 700 I C 2.701 178.866 176.117 0.081 0.000 1.093 700 I CA 2.361 63.717 61.300 0.093 0.000 1.380 700 I CB -1.137 36.896 38.000 0.055 0.000 1.067 700 I HN 0.431 nan 8.210 nan 0.000 0.413 701 R N 1.850 122.388 120.500 0.064 0.000 2.193 701 R HA 0.063 4.402 4.340 -0.002 0.000 0.229 701 R C 1.734 178.077 176.300 0.072 0.000 1.110 701 R CA 2.039 58.175 56.100 0.060 0.000 0.988 701 R CB -1.762 28.563 30.300 0.042 0.000 0.871 701 R HN 0.886 nan 8.270 nan 0.000 0.458 702 I N -0.611 120.013 120.570 0.091 0.000 2.761 702 I HA 0.025 4.194 4.170 -0.002 0.000 0.261 702 I C 2.156 178.328 176.117 0.092 0.000 1.198 702 I CA 1.262 62.622 61.300 0.099 0.000 1.482 702 I CB -1.053 37.027 38.000 0.133 0.000 1.100 702 I HN 0.550 nan 8.210 nan 0.000 0.445 703 C N -0.899 118.456 119.300 0.091 0.000 2.533 703 C HA 0.077 4.535 4.460 -0.002 0.000 0.272 703 C C 2.847 177.894 174.990 0.095 0.000 1.371 703 C CA 0.327 59.396 59.018 0.084 0.000 1.758 703 C CB -1.052 26.735 27.740 0.079 0.000 1.972 703 C HN 0.656 nan 8.230 nan 0.000 0.522 704 R N 1.561 122.115 120.500 0.090 0.000 2.097 704 R HA -0.132 4.207 4.340 -0.002 0.000 0.236 704 R C 2.105 178.457 176.300 0.086 0.000 1.135 704 R CA 1.245 57.404 56.100 0.098 0.000 0.934 704 R CB -0.284 30.066 30.300 0.083 0.000 0.846 704 R HN 0.429 nan 8.270 nan 0.000 0.431 705 K N 0.168 120.599 120.400 0.052 0.000 2.362 705 K HA -0.092 4.226 4.320 -0.002 0.000 0.202 705 K C 1.344 177.880 176.600 -0.107 0.000 1.045 705 K CA 1.096 57.384 56.287 0.002 0.000 0.936 705 K CB -0.411 32.093 32.500 0.008 0.000 0.747 705 K HN 0.295 nan 8.250 nan 0.000 0.467 706 G N -0.214 108.541 108.800 -0.076 0.000 2.773 706 G HA2 0.382 4.340 3.960 -0.002 0.000 0.186 706 G HA3 0.382 4.340 3.960 -0.002 0.000 0.186 706 G C -0.830 173.954 174.900 -0.193 0.000 1.411 706 G CA -0.507 44.454 45.100 -0.232 0.000 1.054 706 G HN 0.035 nan 8.290 nan 0.000 0.579 707 F N 1.397 121.481 119.950 0.222 0.000 2.564 707 F HA 0.424 4.949 4.527 -0.002 0.000 0.361 707 F C -1.873 174.094 175.800 0.277 0.000 1.161 707 F CA -2.788 55.354 58.000 0.237 0.000 1.198 707 F CB 1.057 40.200 39.000 0.237 0.000 1.424 707 F HN 0.087 nan 8.300 nan 0.000 0.517 708 P HA -0.114 nan 4.420 nan 0.000 0.237 708 P C 0.084 177.452 177.300 0.113 0.000 1.312 708 P CA 0.524 63.736 63.100 0.187 0.000 0.731 708 P CB -0.024 31.762 31.700 0.143 0.000 0.990 709 S N 0.662 116.401 115.700 0.065 0.000 3.805 709 S HA -0.158 4.311 4.470 -0.002 0.000 0.456 709 S C 0.179 174.790 174.600 0.018 0.000 1.125 709 S CA 0.209 58.424 58.200 0.025 0.000 0.905 709 S CB -0.864 62.344 63.200 0.015 0.000 0.653 709 S HN 0.486 nan 8.310 nan 0.000 0.483 710 R N 3.452 123.893 120.500 -0.098 0.000 2.531 710 R HA 0.457 4.796 4.340 -0.002 0.000 0.293 710 R C -1.145 175.052 176.300 -0.172 0.000 1.124 710 R CA -0.784 55.171 56.100 -0.242 0.000 0.945 710 R CB 0.101 29.904 30.300 -0.828 0.000 1.195 710 R HN 0.630 nan 8.270 nan 0.000 0.433 711 L N 3.490 124.701 121.223 -0.021 0.000 2.468 711 L HA 0.535 4.874 4.340 -0.002 0.000 0.254 711 L C 1.037 177.849 176.870 -0.097 0.000 1.171 711 L CA -1.285 53.574 54.840 0.032 0.000 0.809 711 L CB 0.714 42.932 42.059 0.266 0.000 1.155 711 L HN 0.621 nan 8.230 nan 0.000 0.473 712 I N -2.343 118.213 120.570 -0.023 0.000 2.353 712 I HA 0.141 4.310 4.170 -0.002 0.000 0.293 712 I C 0.332 176.488 176.117 0.065 0.000 0.992 712 I CA -0.663 60.593 61.300 -0.075 0.000 1.268 712 I CB 0.829 38.824 38.000 -0.009 0.000 1.387 712 I HN 0.450 nan 8.210 nan 0.000 0.478 713 Y N 3.478 123.845 120.300 0.112 0.000 2.588 713 Y HA -0.222 4.326 4.550 -0.002 0.000 0.279 713 Y C 2.183 178.206 175.900 0.204 0.000 1.171 713 Y CA 1.202 59.401 58.100 0.164 0.000 1.425 713 Y CB -0.806 37.715 38.460 0.101 0.000 0.960 713 Y HN 0.730 nan 8.280 nan 0.000 0.585 714 S N -1.123 114.745 115.700 0.279 0.000 2.541 714 S HA -0.025 4.444 4.470 -0.002 0.000 0.219 714 S C 2.403 177.102 174.600 0.165 0.000 1.025 714 S CA 0.639 58.953 58.200 0.189 0.000 0.917 714 S CB -0.482 62.790 63.200 0.120 0.000 0.859 714 S HN 0.506 nan 8.310 nan 0.000 0.584 715 E N 1.227 121.511 120.200 0.140 0.000 2.219 715 E HA -0.204 4.144 4.350 -0.002 0.000 0.198 715 E C 1.532 178.230 176.600 0.163 0.000 0.998 715 E CA 1.584 58.048 56.400 0.106 0.000 0.818 715 E CB -1.013 28.740 29.700 0.088 0.000 0.741 715 E HN 0.504 nan 8.360 nan 0.000 0.477 716 F N 1.975 121.997 119.950 0.120 0.000 2.025 716 F HA -0.017 4.509 4.527 -0.002 0.000 0.291 716 F C 2.370 178.282 175.800 0.185 0.000 1.150 716 F CA 2.222 60.352 58.000 0.218 0.000 1.166 716 F CB -0.394 38.780 39.000 0.290 0.000 0.995 716 F HN 0.159 nan 8.300 nan 0.000 0.474 717 K N 0.864 121.370 120.400 0.176 0.000 2.521 717 K HA -0.277 4.042 4.320 -0.002 0.000 0.198 717 K C 1.285 177.828 176.600 -0.095 0.000 1.046 717 K CA 1.954 58.240 56.287 -0.000 0.000 0.931 717 K CB -0.659 31.923 32.500 0.137 0.000 0.764 717 K HN 0.639 nan 8.250 nan 0.000 0.487 718 Q N -1.117 118.615 119.800 -0.112 0.000 2.350 718 Q HA 0.189 4.527 4.340 -0.002 0.000 0.225 718 Q C 1.836 177.687 176.000 -0.249 0.000 0.878 718 Q CA -0.124 55.598 55.803 -0.136 0.000 0.935 718 Q CB 0.198 28.888 28.738 -0.080 0.000 1.099 718 Q HN 0.138 nan 8.270 nan 0.000 0.527 719 R N -0.627 119.628 120.500 -0.408 0.000 2.265 719 R HA 0.152 4.490 4.340 -0.002 0.000 0.194 719 R C -0.035 175.613 176.300 -1.085 0.000 0.931 719 R CA 0.669 56.323 56.100 -0.744 0.000 1.032 719 R CB 0.426 30.180 30.300 -0.909 0.000 0.980 719 R HN 0.399 nan 8.270 nan 0.000 0.497 720 Y N -0.886 119.199 120.300 -0.358 0.000 2.717 720 Y HA 0.137 4.685 4.550 -0.002 0.000 0.250 720 Y C 1.579 177.326 175.900 -0.255 0.000 1.149 720 Y CA 0.023 57.926 58.100 -0.328 0.000 1.211 720 Y CB 0.427 38.603 38.460 -0.473 0.000 1.289 720 Y HN -0.037 nan 8.280 nan 0.000 0.552 721 S N -0.195 115.418 115.700 -0.146 0.000 2.500 721 S HA -0.150 4.319 4.470 -0.002 0.000 0.239 721 S C 1.553 176.119 174.600 -0.058 0.000 0.989 721 S CA 0.958 59.105 58.200 -0.088 0.000 0.951 721 S CB -0.298 62.851 63.200 -0.086 0.000 0.759 721 S HN 0.621 nan 8.310 nan 0.000 0.523 722 I N -0.181 120.351 120.570 -0.063 0.000 3.793 722 I HA 0.225 4.394 4.170 -0.002 0.000 0.315 722 I C 1.106 177.218 176.117 -0.009 0.000 1.275 722 I CA 0.168 61.442 61.300 -0.042 0.000 1.214 722 I CB 0.151 38.116 38.000 -0.058 0.000 1.018 722 I HN 0.238 nan 8.210 nan 0.000 0.439 723 L N 0.755 121.985 121.223 0.012 0.000 2.585 723 L HA 0.359 4.698 4.340 -0.002 0.000 0.226 723 L C 1.176 178.059 176.870 0.020 0.000 1.113 723 L CA 0.646 55.507 54.840 0.034 0.000 0.876 723 L CB 0.131 42.234 42.059 0.073 0.000 1.072 723 L HN 0.235 nan 8.230 nan 0.000 0.468 724 A N -2.066 120.760 122.820 0.010 0.000 2.897 724 A HA 0.438 4.756 4.320 -0.002 0.000 0.230 724 A C -1.577 176.008 177.584 0.002 0.000 0.896 724 A CA -0.372 51.671 52.037 0.010 0.000 1.114 724 A CB -0.314 18.696 19.000 0.016 0.000 1.230 724 A HN 0.112 nan 8.150 nan 0.000 0.481 725 P HA -0.305 nan 4.420 nan 0.000 0.222 725 P C 1.777 179.073 177.300 -0.005 0.000 1.155 725 P CA 2.639 65.734 63.100 -0.010 0.000 0.890 725 P CB 0.014 31.707 31.700 -0.011 0.000 0.790 726 N N -1.343 117.357 118.700 0.001 0.000 2.512 726 N HA 0.052 4.791 4.740 -0.002 0.000 0.183 726 N C 1.717 177.229 175.510 0.003 0.000 1.073 726 N CA 1.234 54.285 53.050 0.003 0.000 0.911 726 N CB -0.922 37.569 38.487 0.006 0.000 0.964 726 N HN 0.257 nan 8.380 nan 0.000 0.447 727 A N 0.372 123.194 122.820 0.004 0.000 1.878 727 A HA 0.316 4.634 4.320 -0.002 0.000 0.213 727 A C 1.081 178.667 177.584 0.003 0.000 1.192 727 A CA 0.094 52.134 52.037 0.006 0.000 0.619 727 A CB -0.106 18.900 19.000 0.010 0.000 0.837 727 A HN 0.506 nan 8.150 nan 0.000 0.446 728 I N 1.988 122.558 120.570 0.000 0.000 2.821 728 I HA -0.017 4.152 4.170 -0.002 0.000 0.294 728 I C -1.629 174.486 176.117 -0.003 0.000 1.210 728 I CA -1.079 60.219 61.300 -0.002 0.000 1.430 728 I CB 0.128 38.123 38.000 -0.008 0.000 1.356 728 I HN 0.249 nan 8.210 nan 0.000 0.563 735 G N 1.299 110.141 108.800 0.070 0.000 2.752 735 G HA2 -0.385 3.574 3.960 -0.002 0.000 0.349 735 G HA3 -0.385 3.574 3.960 -0.002 0.000 0.349 735 G C 1.414 176.357 174.900 0.072 0.000 1.181 735 G CA 2.668 47.847 45.100 0.132 0.000 0.949 735 G HN 1.383 nan 8.290 nan 0.000 0.562 736 K N -0.255 120.091 120.400 -0.090 0.000 2.442 736 K HA 0.149 4.468 4.320 -0.002 0.000 0.198 736 K C 2.616 179.039 176.600 -0.296 0.000 1.044 736 K CA 2.618 58.564 56.287 -0.569 0.000 0.948 736 K CB -0.964 31.109 32.500 -0.711 0.000 0.762 736 K HN 0.805 nan 8.250 nan 0.000 0.472 737 T N -0.214 114.271 114.554 -0.115 0.000 2.852 737 T HA -0.036 4.313 4.350 -0.002 0.000 0.256 737 T C 2.149 176.835 174.700 -0.023 0.000 1.038 737 T CA 1.151 63.213 62.100 -0.063 0.000 1.141 737 T CB -0.021 68.829 68.868 -0.029 0.000 0.869 737 T HN 0.203 nan 8.240 nan 0.000 0.439 738 V N 1.932 121.856 119.914 0.017 0.000 2.379 738 V HA -0.124 3.995 4.120 -0.002 0.000 0.245 738 V C 2.732 178.891 176.094 0.108 0.000 1.044 738 V CA 1.639 63.970 62.300 0.051 0.000 1.036 738 V CB -0.909 30.948 31.823 0.056 0.000 0.664 738 V HN 0.415 nan 8.190 nan 0.000 0.453 739 S N -0.017 115.798 115.700 0.192 0.000 2.383 739 S HA -0.245 4.224 4.470 -0.002 0.000 0.229 739 S C 2.011 176.703 174.600 0.153 0.000 1.030 739 S CA 1.707 60.149 58.200 0.404 0.000 1.002 739 S CB -0.319 63.166 63.200 0.476 0.000 0.829 739 S HN 0.651 nan 8.310 nan 0.000 0.467 740 E N 1.628 121.827 120.200 -0.003 0.000 2.268 740 E HA -0.056 4.293 4.350 -0.002 0.000 0.195 740 E C 1.962 178.564 176.600 0.004 0.000 0.995 740 E CA 1.537 57.915 56.400 -0.037 0.000 0.836 740 E CB -0.266 29.389 29.700 -0.076 0.000 0.763 740 E HN 0.538 nan 8.360 nan 0.000 0.491 741 K N 0.212 120.629 120.400 0.027 0.000 2.168 741 K HA 0.200 4.519 4.320 -0.002 0.000 0.201 741 K C 2.069 178.693 176.600 0.040 0.000 1.049 741 K CA 0.836 57.139 56.287 0.027 0.000 0.974 741 K CB -0.663 31.849 32.500 0.021 0.000 0.792 741 K HN 0.184 nan 8.250 nan 0.000 0.463 742 I N 0.899 121.513 120.570 0.073 0.000 2.315 742 I HA -0.177 3.991 4.170 -0.002 0.000 0.248 742 I C 2.427 178.587 176.117 0.073 0.000 1.117 742 I CA 0.815 62.158 61.300 0.072 0.000 1.404 742 I CB -0.094 37.953 38.000 0.078 0.000 1.071 742 I HN 0.211 nan 8.210 nan 0.000 0.419 743 L N 0.448 121.718 121.223 0.079 0.000 1.948 743 L HA -0.209 4.130 4.340 -0.002 0.000 0.212 743 L C 2.927 179.781 176.870 -0.028 0.000 1.074 743 L CA 1.579 56.401 54.840 -0.031 0.000 0.753 743 L CB -0.845 41.062 42.059 -0.253 0.000 0.888 743 L HN 0.216 nan 8.230 nan 0.000 0.432 744 A N 0.412 123.225 122.820 -0.011 0.000 1.927 744 A HA -0.236 4.083 4.320 -0.002 0.000 0.220 744 A C 2.305 179.902 177.584 0.021 0.000 1.185 744 A CA 2.072 54.120 52.037 0.019 0.000 0.639 744 A CB -1.537 17.478 19.000 0.025 0.000 0.820 744 A HN 0.541 nan 8.150 nan 0.000 0.451 745 G N -1.176 107.636 108.800 0.021 0.000 2.501 745 G HA2 0.089 4.048 3.960 -0.002 0.000 0.220 745 G HA3 0.089 4.048 3.960 -0.002 0.000 0.220 745 G C 1.148 176.061 174.900 0.021 0.000 1.114 745 G CA 1.546 46.658 45.100 0.021 0.000 0.757 745 G HN 1.294 nan 8.290 nan 0.000 0.559 746 L N -1.218 120.017 121.223 0.020 0.000 2.667 746 L HA 0.450 4.789 4.340 -0.002 0.000 0.232 746 L C 1.372 178.257 176.870 0.025 0.000 1.138 746 L CA 0.820 55.672 54.840 0.020 0.000 0.921 746 L CB -0.820 41.248 42.059 0.016 0.000 1.180 746 L HN 0.288 nan 8.230 nan 0.000 0.487 747 Q N -1.994 117.824 119.800 0.029 0.000 2.463 747 Q HA -0.226 4.113 4.340 -0.002 0.000 0.299 747 Q C 0.345 176.375 176.000 0.051 0.000 1.353 747 Q CA 1.138 56.964 55.803 0.038 0.000 0.828 747 Q CB -2.637 26.120 28.738 0.032 0.000 1.157 747 Q HN 1.282 nan 8.270 nan 0.000 0.436 748 M N 0.385 120.019 119.600 0.056 0.000 2.227 748 M HA 0.251 4.730 4.480 -0.002 0.000 0.349 748 M C 0.349 176.754 176.300 0.174 0.000 1.443 748 M CA 0.284 55.636 55.300 0.086 0.000 1.110 748 M CB 0.244 32.838 32.600 -0.010 0.000 1.773 748 M HN 0.167 nan 8.290 nan 0.000 0.463 749 D N 4.727 125.219 120.400 0.154 0.000 2.434 749 D HA 0.182 4.821 4.640 -0.002 0.000 0.252 749 D C -1.574 174.811 176.300 0.141 0.000 1.185 749 D CA -1.677 52.399 54.000 0.127 0.000 0.886 749 D CB 1.372 42.224 40.800 0.085 0.000 1.148 749 D HN 0.376 nan 8.370 nan 0.000 0.483 750 P HA -0.122 nan 4.420 nan 0.000 0.213 750 P C 0.450 177.612 177.300 -0.231 0.000 1.170 750 P CA 1.521 64.521 63.100 -0.168 0.000 0.902 750 P CB 0.039 31.672 31.700 -0.111 0.000 0.789 751 A N -1.011 121.756 122.820 -0.088 0.000 2.150 751 A HA -0.071 4.247 4.320 -0.002 0.000 0.220 751 A C 1.619 179.186 177.584 -0.028 0.000 1.356 751 A CA 0.979 52.994 52.037 -0.038 0.000 1.145 751 A CB -1.319 17.691 19.000 0.016 0.000 0.826 751 A HN 0.133 nan 8.150 nan 0.000 0.524 752 E N -1.912 118.214 120.200 -0.122 0.000 2.535 752 E HA 0.247 4.596 4.350 -0.002 0.000 0.216 752 E C -0.280 176.166 176.600 -0.257 0.000 0.845 752 E CA 0.214 56.567 56.400 -0.078 0.000 1.306 752 E CB 0.517 30.272 29.700 0.092 0.000 1.291 752 E HN 0.707 nan 8.360 nan 0.000 0.635 753 Y N -2.787 117.230 120.300 -0.472 0.000 2.625 753 Y HA 0.872 5.420 4.550 -0.002 0.000 0.338 753 Y C -0.819 174.755 175.900 -0.543 0.000 1.123 753 Y CA -1.090 56.625 58.100 -0.641 0.000 1.046 753 Y CB 0.482 38.612 38.460 -0.549 0.000 1.299 753 Y HN -0.181 nan 8.280 nan 0.000 0.464 754 R N 2.039 122.252 120.500 -0.478 0.000 2.604 754 R HA 0.701 5.040 4.340 -0.002 0.000 0.281 754 R C -1.540 174.739 176.300 -0.036 0.000 1.020 754 R CA -0.518 55.387 56.100 -0.325 0.000 0.899 754 R CB 0.784 30.970 30.300 -0.190 0.000 1.205 754 R HN 1.254 nan 8.270 nan 0.000 0.450 755 L N 1.544 122.785 121.223 0.029 0.000 2.342 755 L HA 0.724 5.062 4.340 -0.002 0.000 0.285 755 L C 0.719 177.712 176.870 0.205 0.000 1.095 755 L CA -0.510 54.466 54.840 0.225 0.000 0.843 755 L CB 0.561 42.735 42.059 0.192 0.000 1.201 755 L HN 0.809 nan 8.230 nan 0.000 0.445 756 G N 2.381 111.346 108.800 0.275 0.000 2.570 756 G HA2 0.341 4.300 3.960 -0.002 0.000 0.276 756 G HA3 0.341 4.300 3.960 -0.002 0.000 0.276 756 G C 0.780 175.863 174.900 0.307 0.000 1.346 756 G CA 0.145 45.356 45.100 0.185 0.000 1.034 756 G HN 0.780 nan 8.290 nan 0.000 0.512 757 T N -5.043 109.642 114.554 0.217 0.000 3.054 757 T HA 0.261 4.610 4.350 -0.002 0.000 0.255 757 T C 1.252 176.099 174.700 0.244 0.000 1.035 757 T CA 0.979 63.224 62.100 0.241 0.000 0.941 757 T CB 0.697 69.635 68.868 0.118 0.000 1.026 757 T HN 0.468 nan 8.240 nan 0.000 0.533 758 T N -0.213 114.425 114.554 0.139 0.000 3.154 758 T HA 0.432 4.781 4.350 -0.002 0.000 0.258 758 T C 0.075 174.680 174.700 -0.159 0.000 0.899 758 T CA 0.696 62.837 62.100 0.069 0.000 0.908 758 T CB 0.325 69.223 68.868 0.050 0.000 1.260 758 T HN 0.608 nan 8.240 nan 0.000 0.521 759 K N 0.994 121.229 120.400 -0.275 0.000 2.371 759 K HA 0.833 5.151 4.320 -0.002 0.000 0.251 759 K C -0.903 175.286 176.600 -0.686 0.000 0.934 759 K CA -0.527 55.480 56.287 -0.468 0.000 0.798 759 K CB 1.461 33.784 32.500 -0.295 0.000 1.204 759 K HN 0.201 nan 8.250 nan 0.000 0.427 760 V N 4.076 123.485 119.914 -0.842 0.000 2.385 760 V HA 0.679 4.797 4.120 -0.002 0.000 0.269 760 V C -0.951 174.863 176.094 -0.466 0.000 1.043 760 V CA -0.611 61.308 62.300 -0.635 0.000 0.906 760 V CB -0.464 30.953 31.823 -0.676 0.000 0.995 760 V HN 0.641 nan 8.190 nan 0.000 0.467 761 F N 7.138 126.830 119.950 -0.430 0.000 2.384 761 F HA 0.638 5.164 4.527 -0.002 0.000 0.338 761 F C -0.038 175.405 175.800 -0.595 0.000 1.103 761 F CA -0.247 57.578 58.000 -0.292 0.000 1.157 761 F CB 1.088 40.050 39.000 -0.064 0.000 1.167 761 F HN 0.389 nan 8.300 nan 0.000 0.529 762 F N 1.970 121.910 119.950 -0.016 0.000 2.565 762 F HA 0.331 4.857 4.527 -0.002 0.000 0.313 762 F C -0.073 175.703 175.800 -0.041 0.000 1.091 762 F CA -1.329 56.617 58.000 -0.090 0.000 0.915 762 F CB 1.621 40.567 39.000 -0.091 0.000 1.208 762 F HN 0.177 nan 8.300 nan 0.000 0.453 763 K N 2.611 123.075 120.400 0.107 0.000 2.298 763 K HA 0.514 4.833 4.320 -0.002 0.000 0.280 763 K C -0.193 176.526 176.600 0.199 0.000 1.032 763 K CA -0.143 56.263 56.287 0.198 0.000 0.958 763 K CB 1.136 33.717 32.500 0.134 0.000 0.978 763 K HN 0.849 nan 8.250 nan 0.000 0.472 764 A N 3.029 125.975 122.820 0.210 0.000 2.591 764 A HA 0.090 4.409 4.320 -0.002 0.000 0.265 764 A C 1.328 178.979 177.584 0.112 0.000 0.946 764 A CA 1.483 53.605 52.037 0.141 0.000 0.928 764 A CB -1.070 18.013 19.000 0.138 0.000 0.816 764 A HN 1.275 nan 8.150 nan 0.000 0.466 765 G N 1.048 109.890 108.800 0.070 0.000 2.196 765 G HA2 -0.269 3.689 3.960 -0.002 0.000 0.268 765 G HA3 -0.269 3.689 3.960 -0.002 0.000 0.268 765 G C 0.887 175.818 174.900 0.052 0.000 0.975 765 G CA 0.702 45.851 45.100 0.082 0.000 0.648 765 G HN 1.487 nan 8.290 nan 0.000 0.538 766 V N -0.196 119.732 119.914 0.023 0.000 3.041 766 V HA 0.128 4.247 4.120 -0.002 0.000 0.260 766 V C 2.530 178.520 176.094 -0.173 0.000 1.105 766 V CA 1.827 64.120 62.300 -0.012 0.000 1.125 766 V CB 0.277 32.142 31.823 0.070 0.000 0.730 766 V HN 0.387 nan 8.190 nan 0.000 0.479 767 L N 0.359 121.433 121.223 -0.249 0.000 2.341 767 L HA 0.149 4.488 4.340 -0.002 0.000 0.214 767 L C 2.328 179.062 176.870 -0.226 0.000 1.115 767 L CA 1.622 56.243 54.840 -0.366 0.000 0.820 767 L CB -0.606 41.255 42.059 -0.331 0.000 0.944 767 L HN 0.310 nan 8.230 nan 0.000 0.452 768 G N -0.904 107.773 108.800 -0.204 0.000 2.408 768 G HA2 -0.264 3.694 3.960 -0.002 0.000 0.217 768 G HA3 -0.264 3.694 3.960 -0.002 0.000 0.217 768 G C 1.390 176.356 174.900 0.110 0.000 1.150 768 G CA 0.921 45.949 45.100 -0.119 0.000 0.776 768 G HN 0.469 nan 8.290 nan 0.000 0.542 769 N N -0.042 118.695 118.700 0.062 0.000 2.135 769 N HA 0.059 4.797 4.740 -0.002 0.000 0.186 769 N C 2.047 177.559 175.510 0.003 0.000 1.027 769 N CA 0.365 53.447 53.050 0.054 0.000 0.849 769 N CB -0.144 38.365 38.487 0.036 0.000 1.002 769 N HN 0.143 nan 8.380 nan 0.000 0.425 770 L N 1.094 122.259 121.223 -0.097 0.000 2.456 770 L HA -0.076 4.263 4.340 -0.002 0.000 0.224 770 L C 1.949 178.819 176.870 0.000 0.000 1.148 770 L CA 0.742 55.486 54.840 -0.161 0.000 0.825 770 L CB -0.227 41.538 42.059 -0.490 0.000 0.937 770 L HN 0.276 nan 8.230 nan 0.000 0.450 771 E N 0.329 120.566 120.200 0.062 0.000 2.024 771 E HA -0.131 4.218 4.350 -0.002 0.000 0.190 771 E C 2.314 179.000 176.600 0.144 0.000 0.974 771 E CA 1.319 57.816 56.400 0.162 0.000 0.810 771 E CB -0.234 29.547 29.700 0.135 0.000 0.775 771 E HN 0.481 nan 8.360 nan 0.000 0.453 772 E N 2.091 122.375 120.200 0.141 0.000 2.048 772 E HA -0.221 4.128 4.350 -0.002 0.000 0.202 772 E C 1.867 178.520 176.600 0.087 0.000 1.021 772 E CA 1.909 58.383 56.400 0.122 0.000 0.825 772 E CB -0.815 28.955 29.700 0.117 0.000 0.756 772 E HN 0.102 nan 8.360 nan 0.000 0.454 773 M N -0.048 119.596 119.600 0.073 0.000 2.089 773 M HA -0.244 4.235 4.480 -0.002 0.000 0.257 773 M C 2.621 178.962 176.300 0.069 0.000 1.071 773 M CA 2.516 57.849 55.300 0.056 0.000 1.096 773 M CB -0.469 32.152 32.600 0.035 0.000 1.330 773 M HN 0.495 nan 8.290 nan 0.000 0.403 774 R N -0.033 120.529 120.500 0.104 0.000 2.091 774 R HA -0.204 4.135 4.340 -0.002 0.000 0.238 774 R C 1.404 177.744 176.300 0.067 0.000 1.136 774 R CA 2.475 58.645 56.100 0.116 0.000 0.959 774 R CB -0.288 30.127 30.300 0.192 0.000 0.856 774 R HN 0.336 nan 8.270 nan 0.000 0.437 775 D N 0.050 120.493 120.400 0.071 0.000 2.097 775 D HA -0.131 4.508 4.640 -0.002 0.000 0.197 775 D C 1.787 178.111 176.300 0.041 0.000 0.984 775 D CA 1.646 55.678 54.000 0.053 0.000 0.826 775 D CB -0.039 40.804 40.800 0.071 0.000 0.973 775 D HN 0.409 nan 8.370 nan 0.000 0.460 776 E N -0.002 120.224 120.200 0.043 0.000 2.097 776 E HA -0.240 4.108 4.350 -0.002 0.000 0.196 776 E C 2.006 178.623 176.600 0.029 0.000 1.000 776 E CA 0.929 57.349 56.400 0.032 0.000 0.804 776 E CB 0.021 29.739 29.700 0.030 0.000 0.740 776 E HN -0.009 nan 8.360 nan 0.000 0.454 777 R N 1.052 121.571 120.500 0.032 0.000 2.092 777 R HA -0.105 4.234 4.340 -0.002 0.000 0.231 777 R C 2.054 178.366 176.300 0.020 0.000 1.119 777 R CA 0.937 57.053 56.100 0.026 0.000 0.970 777 R CB -0.736 29.582 30.300 0.029 0.000 0.864 777 R HN 0.202 nan 8.270 nan 0.000 0.440 778 L N 0.193 121.426 121.223 0.016 0.000 1.976 778 L HA -0.086 4.253 4.340 -0.002 0.000 0.209 778 L C 2.082 178.963 176.870 0.017 0.000 1.071 778 L CA 2.140 56.984 54.840 0.006 0.000 0.746 778 L CB -1.152 40.905 42.059 -0.003 0.000 0.890 778 L HN 0.193 nan 8.230 nan 0.000 0.432 779 S N -0.437 115.277 115.700 0.023 0.000 2.372 779 S HA -0.318 4.150 4.470 -0.002 0.000 0.227 779 S C 2.215 176.835 174.600 0.034 0.000 1.044 779 S CA 2.111 60.328 58.200 0.028 0.000 1.050 779 S CB -0.586 62.629 63.200 0.025 0.000 0.901 779 S HN 0.654 nan 8.310 nan 0.000 0.447 780 K N 1.147 121.565 120.400 0.031 0.000 2.020 780 K HA -0.046 4.273 4.320 -0.002 0.000 0.212 780 K C 1.870 178.497 176.600 0.045 0.000 1.050 780 K CA 1.943 58.250 56.287 0.034 0.000 0.929 780 K CB -1.334 31.183 32.500 0.028 0.000 0.714 780 K HN 0.525 nan 8.250 nan 0.000 0.443 781 I N 0.352 120.946 120.570 0.039 0.000 2.361 781 I HA -0.201 3.967 4.170 -0.002 0.000 0.251 781 I C 2.475 178.640 176.117 0.081 0.000 1.133 781 I CA 1.243 62.571 61.300 0.047 0.000 1.413 781 I CB -0.204 37.806 38.000 0.016 0.000 1.073 781 I HN 0.282 nan 8.210 nan 0.000 0.424 782 I N -0.258 120.357 120.570 0.076 0.000 2.286 782 I HA -0.216 3.953 4.170 -0.002 0.000 0.245 782 I C 2.588 178.796 176.117 0.152 0.000 1.104 782 I CA 0.976 62.350 61.300 0.124 0.000 1.397 782 I CB -0.397 37.656 38.000 0.088 0.000 1.072 782 I HN 0.115 nan 8.210 nan 0.000 0.417 783 S N 1.013 116.771 115.700 0.096 0.000 2.370 783 S HA -0.169 4.300 4.470 -0.002 0.000 0.226 783 S C 2.078 176.735 174.600 0.094 0.000 1.033 783 S CA 1.386 59.631 58.200 0.076 0.000 1.011 783 S CB -0.211 63.017 63.200 0.048 0.000 0.852 783 S HN 0.328 nan 8.310 nan 0.000 0.457 784 M N 0.331 119.997 119.600 0.111 0.000 2.073 784 M HA -0.142 4.337 4.480 -0.002 0.000 0.258 784 M C 2.006 178.435 176.300 0.215 0.000 1.070 784 M CA 1.603 56.980 55.300 0.129 0.000 1.103 784 M CB -1.398 31.282 32.600 0.133 0.000 1.321 784 M HN 0.311 nan 8.290 nan 0.000 0.405 785 F N 1.648 121.641 119.950 0.072 0.000 2.011 785 F HA -0.262 4.264 4.527 -0.002 0.000 0.296 785 F C 2.595 178.445 175.800 0.083 0.000 1.144 785 F CA 1.962 60.010 58.000 0.079 0.000 1.185 785 F CB -1.086 37.930 39.000 0.028 0.000 0.961 785 F HN 0.234 nan 8.300 nan 0.000 0.485 786 Q N 0.029 119.835 119.800 0.010 0.000 2.045 786 Q HA -0.374 3.965 4.340 -0.002 0.000 0.215 786 Q C 2.313 178.258 176.000 -0.091 0.000 1.026 786 Q CA 2.595 58.334 55.803 -0.107 0.000 0.885 786 Q CB -0.961 27.775 28.738 -0.003 0.000 0.984 786 Q HN 0.585 nan 8.270 nan 0.000 0.414 787 A N 0.202 123.018 122.820 -0.007 0.000 1.892 787 A HA -0.304 4.015 4.320 -0.002 0.000 0.218 787 A C 1.755 179.354 177.584 0.026 0.000 1.188 787 A CA 2.089 54.129 52.037 0.004 0.000 0.631 787 A CB -1.153 17.853 19.000 0.011 0.000 0.822 787 A HN 0.595 nan 8.150 nan 0.000 0.447 788 H N -0.863 118.178 119.070 -0.048 0.000 2.426 788 H HA -0.104 4.450 4.556 -0.002 0.000 0.298 788 H C 1.904 177.197 175.328 -0.060 0.000 1.107 788 H CA 1.439 57.471 56.048 -0.027 0.000 1.298 788 H CB -0.107 29.671 29.762 0.027 0.000 1.377 788 H HN 0.520 nan 8.280 nan 0.000 0.519 789 I N 0.101 120.641 120.570 -0.050 0.000 2.133 789 I HA -0.270 3.898 4.170 -0.002 0.000 0.238 789 I C 2.489 178.636 176.117 0.050 0.000 1.074 789 I CA 1.259 62.490 61.300 -0.114 0.000 1.342 789 I CB -0.275 37.539 38.000 -0.309 0.000 1.053 789 I HN 0.276 nan 8.210 nan 0.000 0.404 790 R N 0.758 121.263 120.500 0.008 0.000 2.113 790 R HA -0.196 4.142 4.340 -0.002 0.000 0.244 790 R C 2.360 178.697 176.300 0.061 0.000 1.142 790 R CA 1.707 57.825 56.100 0.030 0.000 0.953 790 R CB -1.030 29.274 30.300 0.007 0.000 0.860 790 R HN 0.509 nan 8.270 nan 0.000 0.438 791 G N 0.303 109.143 108.800 0.066 0.000 2.446 791 G HA2 -0.347 3.611 3.960 -0.002 0.000 0.217 791 G HA3 -0.347 3.611 3.960 -0.002 0.000 0.217 791 G C 1.215 176.161 174.900 0.076 0.000 1.168 791 G CA 0.872 46.002 45.100 0.051 0.000 0.771 791 G HN 0.356 nan 8.290 nan 0.000 0.551 792 Y N 1.428 121.756 120.300 0.047 0.000 2.040 792 Y HA -0.231 4.318 4.550 -0.002 0.000 0.275 792 Y C 2.652 178.559 175.900 0.013 0.000 1.171 792 Y CA 1.936 60.056 58.100 0.033 0.000 1.123 792 Y CB -0.560 37.900 38.460 -0.001 0.000 0.963 792 Y HN 0.149 nan 8.280 nan 0.000 0.493 793 L N -0.371 121.006 121.223 0.256 0.000 1.941 793 L HA -0.343 3.995 4.340 -0.002 0.000 0.224 793 L C 2.463 179.345 176.870 0.019 0.000 1.081 793 L CA 1.724 56.653 54.840 0.149 0.000 0.784 793 L CB -1.146 40.989 42.059 0.128 0.000 0.894 793 L HN 0.269 nan 8.230 nan 0.000 0.436 794 I N -0.122 120.466 120.570 0.031 0.000 2.103 794 I HA -0.384 3.785 4.170 -0.002 0.000 0.241 794 I C 2.735 178.870 176.117 0.030 0.000 1.036 794 I CA 1.871 63.194 61.300 0.038 0.000 1.300 794 I CB -1.298 36.726 38.000 0.041 0.000 1.010 794 I HN 0.302 nan 8.210 nan 0.000 0.406 795 R N 0.771 121.246 120.500 -0.042 0.000 2.153 795 R HA -0.246 4.093 4.340 -0.002 0.000 0.252 795 R C 2.210 178.480 176.300 -0.050 0.000 1.158 795 R CA 1.976 58.025 56.100 -0.085 0.000 0.975 795 R CB -0.383 29.815 30.300 -0.171 0.000 0.871 795 R HN 0.274 nan 8.270 nan 0.000 0.450 796 K N -0.128 120.209 120.400 -0.104 0.000 2.062 796 K HA 0.077 4.396 4.320 -0.002 0.000 0.205 796 K C 1.429 178.035 176.600 0.010 0.000 1.051 796 K CA 1.705 57.947 56.287 -0.075 0.000 0.941 796 K CB -0.313 32.123 32.500 -0.107 0.000 0.719 796 K HN 0.137 nan 8.250 nan 0.000 0.440 797 A N -0.568 122.269 122.820 0.029 0.000 2.252 797 A HA -0.005 4.313 4.320 -0.002 0.000 0.207 797 A C 1.700 179.312 177.584 0.046 0.000 1.194 797 A CA 0.374 52.429 52.037 0.030 0.000 0.809 797 A CB -0.775 18.239 19.000 0.023 0.000 0.814 797 A HN 0.466 nan 8.150 nan 0.000 0.482 798 Y N 0.662 120.937 120.300 -0.042 0.000 2.153 798 Y HA -0.073 4.476 4.550 -0.002 0.000 0.289 798 Y C 2.601 178.482 175.900 -0.031 0.000 1.127 798 Y CA 2.531 60.609 58.100 -0.036 0.000 1.131 798 Y CB -0.319 38.115 38.460 -0.042 0.000 0.995 798 Y HN 0.322 nan 8.280 nan 0.000 0.505 799 K N 0.755 121.229 120.400 0.124 0.000 2.442 799 K HA -0.219 4.100 4.320 -0.002 0.000 0.200 799 K C 1.875 178.458 176.600 -0.029 0.000 1.045 799 K CA 1.992 58.308 56.287 0.048 0.000 0.937 799 K CB -0.827 31.702 32.500 0.048 0.000 0.757 799 K HN 0.575 nan 8.250 nan 0.000 0.474 800 K N -1.171 119.194 120.400 -0.058 0.000 2.262 800 K HA 0.185 4.504 4.320 -0.002 0.000 0.200 800 K C 1.795 178.328 176.600 -0.111 0.000 1.058 800 K CA 0.103 56.350 56.287 -0.066 0.000 0.974 800 K CB 0.153 32.628 32.500 -0.042 0.000 0.910 800 K HN 0.127 nan 8.250 nan 0.000 0.484 801 L N 2.100 123.221 121.223 -0.170 0.000 2.265 801 L HA -0.114 4.225 4.340 -0.002 0.000 0.215 801 L C 2.083 178.818 176.870 -0.226 0.000 1.117 801 L CA 1.597 56.317 54.840 -0.199 0.000 0.782 801 L CB -0.463 41.445 42.059 -0.252 0.000 0.914 801 L HN 0.255 nan 8.230 nan 0.000 0.441 802 Q N -1.162 118.475 119.800 -0.272 0.000 2.083 802 Q HA -0.162 4.176 4.340 -0.002 0.000 0.198 802 Q C 1.578 177.512 176.000 -0.110 0.000 0.969 802 Q CA 1.226 56.908 55.803 -0.202 0.000 0.838 802 Q CB 0.018 28.654 28.738 -0.170 0.000 0.900 802 Q HN 0.461 nan 8.270 nan 0.000 0.436 803 D N 0.657 121.003 120.400 -0.090 0.000 2.087 803 D HA -0.141 4.498 4.640 -0.002 0.000 0.203 803 D C 1.870 178.135 176.300 -0.059 0.000 0.976 803 D CA 1.029 54.994 54.000 -0.059 0.000 0.865 803 D CB -0.309 40.464 40.800 -0.045 0.000 1.005 803 D HN 0.118 nan 8.370 nan 0.000 0.449 804 Q N 0.363 120.127 119.800 -0.060 0.000 2.124 804 Q HA -0.319 4.020 4.340 -0.002 0.000 0.215 804 Q C 2.172 178.139 176.000 -0.055 0.000 1.015 804 Q CA 2.228 57.999 55.803 -0.054 0.000 0.890 804 Q CB -0.199 28.506 28.738 -0.055 0.000 0.966 804 Q HN 0.200 nan 8.270 nan 0.000 0.412 805 R N 0.476 120.934 120.500 -0.069 0.000 2.179 805 R HA -0.263 4.075 4.340 -0.002 0.000 0.238 805 R C 2.147 178.419 176.300 -0.047 0.000 1.119 805 R CA 2.368 58.431 56.100 -0.062 0.000 0.915 805 R CB -0.614 29.640 30.300 -0.076 0.000 0.870 805 R HN 0.326 nan 8.270 nan 0.000 0.432 806 I N 0.199 120.741 120.570 -0.046 0.000 2.113 806 I HA -0.283 3.885 4.170 -0.002 0.000 0.242 806 I C 2.562 178.659 176.117 -0.033 0.000 1.064 806 I CA 1.770 63.048 61.300 -0.036 0.000 1.320 806 I CB -0.929 37.051 38.000 -0.033 0.000 1.028 806 I HN 0.622 nan 8.210 nan 0.000 0.406 807 G N 0.938 109.718 108.800 -0.034 0.000 2.513 807 G HA2 -0.315 3.643 3.960 -0.002 0.000 0.219 807 G HA3 -0.315 3.643 3.960 -0.002 0.000 0.219 807 G C 1.598 176.479 174.900 -0.032 0.000 1.160 807 G CA 1.073 46.154 45.100 -0.032 0.000 0.767 807 G HN 0.341 nan 8.290 nan 0.000 0.571 808 L N 0.997 122.200 121.223 -0.033 0.000 2.395 808 L HA 0.320 4.659 4.340 -0.002 0.000 0.218 808 L C 2.963 179.817 176.870 -0.027 0.000 1.130 808 L CA 1.857 56.679 54.840 -0.030 0.000 0.826 808 L CB -0.544 41.496 42.059 -0.030 0.000 0.941 808 L HN 0.281 nan 8.230 nan 0.000 0.451 809 S N -0.999 114.684 115.700 -0.028 0.000 2.368 809 S HA -0.089 4.380 4.470 -0.002 0.000 0.224 809 S C 1.768 176.354 174.600 -0.023 0.000 1.029 809 S CA 1.804 59.989 58.200 -0.025 0.000 0.988 809 S CB -0.738 62.447 63.200 -0.026 0.000 0.838 809 S HN 0.191 nan 8.310 nan 0.000 0.462 810 V N 1.958 121.857 119.914 -0.025 0.000 2.259 810 V HA -0.185 3.934 4.120 -0.002 0.000 0.226 810 V C 2.139 178.218 176.094 -0.024 0.000 1.016 810 V CA 1.589 63.874 62.300 -0.024 0.000 1.000 810 V CB -0.966 30.841 31.823 -0.027 0.000 0.647 810 V HN 0.696 nan 8.190 nan 0.000 0.466 811 I N -0.357 120.195 120.570 -0.030 0.000 2.972 811 I HA -0.556 3.613 4.170 -0.002 0.000 0.209 811 I C 2.666 178.771 176.117 -0.020 0.000 0.859 811 I CA 2.577 63.857 61.300 -0.034 0.000 1.161 811 I CB -0.946 37.032 38.000 -0.036 0.000 0.895 811 I HN 0.521 nan 8.210 nan 0.000 0.355 812 Q N -0.288 119.504 119.800 -0.014 0.000 2.014 812 Q HA -0.289 4.050 4.340 -0.002 0.000 0.207 812 Q C 2.369 178.373 176.000 0.006 0.000 0.993 812 Q CA 2.269 58.071 55.803 -0.002 0.000 0.850 812 Q CB -0.386 28.348 28.738 -0.006 0.000 0.916 812 Q HN 0.527 nan 8.270 nan 0.000 0.417 813 R N 0.678 121.176 120.500 -0.004 0.000 2.073 813 R HA -0.173 4.166 4.340 -0.002 0.000 0.234 813 R C 2.009 178.311 176.300 0.003 0.000 1.134 813 R CA 1.802 57.898 56.100 -0.006 0.000 0.952 813 R CB -0.711 29.580 30.300 -0.015 0.000 0.850 813 R HN 0.358 nan 8.270 nan 0.000 0.433 814 N N 1.062 119.762 118.700 -0.000 0.000 2.573 814 N HA -0.004 4.734 4.740 -0.002 0.000 0.187 814 N C 1.705 177.244 175.510 0.048 0.000 1.107 814 N CA 1.255 54.309 53.050 0.006 0.000 0.918 814 N CB -0.341 38.135 38.487 -0.018 0.000 0.966 814 N HN 0.384 nan 8.380 nan 0.000 0.448 815 I N -1.285 119.327 120.570 0.069 0.000 3.462 815 I HA 0.053 4.222 4.170 -0.002 0.000 0.290 815 I C 2.116 178.372 176.117 0.232 0.000 1.236 815 I CA 0.074 61.479 61.300 0.174 0.000 1.418 815 I CB 0.124 38.190 38.000 0.110 0.000 1.102 815 I HN 0.234 nan 8.210 nan 0.000 0.441 816 R N 1.482 122.044 120.500 0.103 0.000 2.062 816 R HA -0.092 4.247 4.340 -0.002 0.000 0.229 816 R C 2.585 178.896 176.300 0.019 0.000 1.128 816 R CA 1.588 57.716 56.100 0.046 0.000 0.960 816 R CB -0.694 29.609 30.300 0.005 0.000 0.855 816 R HN 0.255 nan 8.270 nan 0.000 0.432 817 K N 0.865 121.275 120.400 0.016 0.000 2.044 817 K HA -0.217 4.102 4.320 -0.002 0.000 0.210 817 K C 1.665 178.264 176.600 -0.002 0.000 1.049 817 K CA 1.787 58.055 56.287 -0.032 0.000 0.927 817 K CB -1.588 30.892 32.500 -0.032 0.000 0.713 817 K HN 0.462 nan 8.250 nan 0.000 0.443 818 W N 0.885 122.117 121.300 -0.112 0.000 2.342 818 W HA -0.107 4.552 4.660 -0.002 0.000 0.297 818 W C 1.658 178.127 176.519 -0.084 0.000 1.213 818 W CA 1.817 59.101 57.345 -0.102 0.000 1.251 818 W CB -0.154 29.270 29.460 -0.061 0.000 1.136 818 W HN 0.222 nan 8.180 nan 0.000 0.526 819 L N -0.754 120.373 121.223 -0.160 0.000 2.068 819 L HA -0.148 4.190 4.340 -0.002 0.000 0.204 819 L C 2.493 179.209 176.870 -0.257 0.000 1.076 819 L CA 1.048 55.662 54.840 -0.376 0.000 0.753 819 L CB -1.556 40.392 42.059 -0.185 0.000 0.910 819 L HN -0.083 nan 8.230 nan 0.000 0.439 820 V N 0.312 120.124 119.914 -0.171 0.000 2.233 820 V HA -0.303 3.815 4.120 -0.002 0.000 0.247 820 V C 2.469 178.456 176.094 -0.178 0.000 1.050 820 V CA 2.128 64.325 62.300 -0.171 0.000 1.010 820 V CB -0.141 31.567 31.823 -0.191 0.000 0.637 820 V HN 0.345 nan 8.190 nan 0.000 0.444 821 L N 0.749 121.837 121.223 -0.225 0.000 2.042 821 L HA -0.120 4.219 4.340 -0.002 0.000 0.210 821 L C 2.492 179.257 176.870 -0.176 0.000 1.076 821 L CA 2.169 56.852 54.840 -0.262 0.000 0.749 821 L CB -0.930 40.821 42.059 -0.514 0.000 0.893 821 L HN 0.288 nan 8.230 nan 0.000 0.432 822 R N -0.690 119.671 120.500 -0.232 0.000 2.340 822 R HA -0.065 4.274 4.340 -0.002 0.000 0.215 822 R C 0.694 176.955 176.300 -0.064 0.000 1.017 822 R CA 0.631 56.646 56.100 -0.141 0.000 1.111 822 R CB -0.377 29.696 30.300 -0.377 0.000 1.049 822 R HN 0.486 nan 8.270 nan 0.000 0.490 823 N N -1.342 117.361 118.700 0.005 0.000 2.036 823 N HA -0.014 4.724 4.740 -0.002 0.000 0.228 823 N C -0.393 175.230 175.510 0.189 0.000 1.368 823 N CA -0.394 52.682 53.050 0.044 0.000 0.846 823 N CB 0.158 38.622 38.487 -0.039 0.000 1.145 823 N HN 0.081 nan 8.380 nan 0.000 0.502 824 W N 0.985 122.308 121.300 0.039 0.000 1.678 824 W HA 0.308 4.967 4.660 -0.002 0.000 0.534 824 W C 1.109 177.689 176.519 0.102 0.000 2.110 824 W CA 0.642 58.041 57.345 0.090 0.000 2.377 824 W CB 0.195 29.754 29.460 0.166 0.000 2.106 824 W HN -0.024 nan 8.180 nan 0.000 0.814 825 Q N -1.682 118.060 119.800 -0.096 0.000 2.536 825 Q HA 0.002 4.340 4.340 -0.002 0.000 0.212 825 Q C 2.042 177.795 176.000 -0.412 0.000 0.743 825 Q CA 0.327 55.952 55.803 -0.297 0.000 0.929 825 Q CB -0.648 27.831 28.738 -0.431 0.000 1.313 825 Q HN 0.689 nan 8.270 nan 0.000 0.524 826 W N 0.776 121.468 121.300 -1.014 0.000 2.359 826 W HA -0.182 4.477 4.660 -0.002 0.000 0.275 826 W C 1.902 178.283 176.519 -0.229 0.000 1.217 826 W CA 0.791 57.653 57.345 -0.806 0.000 1.196 826 W CB 0.089 28.640 29.460 -1.514 0.000 1.129 826 W HN 0.337 nan 8.180 nan 0.000 0.566 827 W N 0.463 121.788 121.300 0.041 0.000 2.644 827 W HA -0.053 4.606 4.660 -0.002 0.000 0.279 827 W C 1.517 178.136 176.519 0.166 0.000 1.164 827 W CA 0.544 58.059 57.345 0.285 0.000 1.457 827 W CB -0.186 29.531 29.460 0.429 0.000 1.087 827 W HN -0.364 nan 8.180 nan 0.000 0.573 828 K N 1.343 121.911 120.400 0.279 0.000 2.519 828 K HA -0.094 4.224 4.320 -0.002 0.000 0.196 828 K C 1.767 178.362 176.600 -0.008 0.000 1.041 828 K CA 1.291 57.650 56.287 0.119 0.000 0.954 828 K CB -1.157 31.407 32.500 0.107 0.000 0.774 828 K HN 0.360 nan 8.250 nan 0.000 0.480 829 L N -1.599 119.616 121.223 -0.013 0.000 2.701 829 L HA 0.221 4.560 4.340 -0.002 0.000 0.238 829 L C 2.018 178.903 176.870 0.025 0.000 1.106 829 L CA 0.205 55.026 54.840 -0.031 0.000 0.898 829 L CB -0.794 41.215 42.059 -0.084 0.000 1.188 829 L HN 0.137 nan 8.230 nan 0.000 0.508 830 Y N -0.102 120.101 120.300 -0.160 0.000 2.314 830 Y HA 0.147 4.696 4.550 -0.002 0.000 0.294 830 Y C 2.358 178.030 175.900 -0.379 0.000 1.139 830 Y CA 1.240 59.198 58.100 -0.235 0.000 1.162 830 Y CB 0.028 38.332 38.460 -0.260 0.000 1.121 830 Y HN 0.141 nan 8.280 nan 0.000 0.529 831 S N 0.639 115.809 115.700 -0.883 0.000 2.660 831 S HA 0.059 4.527 4.470 -0.002 0.000 0.223 831 S C 1.643 175.992 174.600 -0.418 0.000 0.963 831 S CA 0.829 58.514 58.200 -0.858 0.000 0.932 831 S CB -0.574 62.094 63.200 -0.888 0.000 0.775 831 S HN 0.530 nan 8.310 nan 0.000 0.531 832 K N 0.156 120.378 120.400 -0.297 0.000 2.374 832 K HA 0.416 4.735 4.320 -0.002 0.000 0.196 832 K C 1.263 177.779 176.600 -0.140 0.000 1.023 832 K CA 0.309 56.499 56.287 -0.161 0.000 1.103 832 K CB -0.213 32.227 32.500 -0.100 0.000 0.848 832 K HN 0.352 nan 8.250 nan 0.000 0.528 833 V N -0.554 119.246 119.914 -0.189 0.000 3.572 833 V HA 0.080 4.198 4.120 -0.002 0.000 0.260 833 V C 2.792 178.791 176.094 -0.158 0.000 1.324 833 V CA 0.942 63.161 62.300 -0.133 0.000 1.068 833 V CB 0.714 32.488 31.823 -0.082 0.000 0.837 833 V HN 0.522 nan 8.190 nan 0.000 0.450 834 K N 1.206 121.451 120.400 -0.257 0.000 2.089 834 K HA -0.210 4.108 4.320 -0.002 0.000 0.210 834 K C 0.262 176.783 176.600 -0.132 0.000 1.048 834 K CA 2.493 58.645 56.287 -0.225 0.000 0.926 834 K CB -2.555 29.765 32.500 -0.301 0.000 0.714 834 K HN 0.525 nan 8.250 nan 0.000 0.448 835 P HA -0.109 nan 4.420 nan 0.000 0.219 835 P C 0.554 177.820 177.300 -0.057 0.000 1.144 835 P CA 1.891 64.946 63.100 -0.074 0.000 0.806 835 P CB -0.164 31.495 31.700 -0.067 0.000 0.771 836 L N -1.739 119.447 121.223 -0.062 0.000 2.839 836 L HA 0.526 4.865 4.340 -0.002 0.000 0.259 836 L C -0.147 176.698 176.870 -0.043 0.000 1.369 836 L CA -0.236 54.577 54.840 -0.044 0.000 0.845 836 L CB -0.799 41.238 42.059 -0.037 0.000 1.181 836 L HN -0.159 nan 8.230 nan 0.000 0.529 837 L N 0.000 121.194 121.223 -0.048 0.000 2.949 837 L HA 0.000 4.339 4.340 -0.002 0.000 0.249 837 L CA 0.000 54.816 54.840 -0.040 0.000 0.813 837 L CB 0.000 42.022 42.059 -0.062 0.000 0.961 837 L HN 0.000 nan 8.230 nan 0.000 0.502