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 2x92_1_A DATA FIRST_RESID 17 DATA SEQUENCE ALVKEEIQAK EYLENLNKEL AKRTNVETEA AWAYGSNITD ENEKKKNEIS DATA SEQUENCE AELAKFMKEV ASDTTKFQWR SYQSEDLKRQ FKALTKLGYA ALPEDDYAEL DATA SEQUENCE LDTLSAMESN FAKVKVcDYK DSTKcDLALD PEIEEVISKS RDHEELAYYW DATA SEQUENCE REFYDKAGTA VRSQFERYVE LNTKAAKLNN FTSGAEAWLD EYEDDTFEQQ DATA SEQUENCE LEDIFADIRP LYQQIHGYVR FRLRKHYGDA VVSETGPIPM HLLGNMWAQQ DATA SEQUENCE WSEIADIVSP FPEKPLVDVS AEMEKQGYTP LKMFQMGDDF FTSMNLTKLP DATA SEQUENCE QDFWDKSIIE KPTDGRDLVc HASAWDFYLT DDVRIKQcTR VTQDQLFTVH DATA SEQUENCE HELGHIQYFL QYQHQPFVYR TGANPGFHEA VGDVLSLSVS TPKHLEKIGL DATA SEQUENCE LKDYVRDDEA RINQLFLTAL DKIVFLPFAF TMDKYRWSLF RGEVDKANWN DATA SEQUENCE cAFWKLRDEY SGIEPPVVRS EKDFDAPAKY HISADVEYLR YLVSFIIQFQ DATA SEQUENCE FYKSAcIKAG QYDPDNVELP LDNcDIYGSA AAGAAFHNML SMGASKPWPD DATA SEQUENCE ALEAFNGERI MSGKAIAEYF EPLRVWLEAE NIKNNVHIGW TTSNKcVS 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 17 A HA 0.000 nan 4.320 nan 0.000 0.244 17 A C 0.000 177.608 177.584 0.040 0.000 1.274 17 A CA 0.000 52.048 52.037 0.018 0.000 0.836 17 A CB 0.000 19.008 19.000 0.014 0.000 0.831 18 L N 0.389 121.644 121.223 0.053 0.000 2.240 18 L HA -0.036 4.301 4.340 -0.005 0.000 0.211 18 L C 2.187 179.095 176.870 0.062 0.000 1.106 18 L CA 1.095 55.995 54.840 0.099 0.000 0.793 18 L CB -0.331 41.798 42.059 0.117 0.000 0.927 18 L HN 0.591 nan 8.230 nan 0.000 0.446 19 V N 0.446 120.379 119.914 0.031 0.000 2.307 19 V HA -0.290 3.827 4.120 -0.005 0.000 0.245 19 V C 3.070 179.159 176.094 -0.007 0.000 1.045 19 V CA 2.386 64.690 62.300 0.005 0.000 1.024 19 V CB -1.031 30.798 31.823 0.009 0.000 0.651 19 V HN 0.537 nan 8.190 nan 0.000 0.449 20 K N -0.008 120.398 120.400 0.009 0.000 2.097 20 K HA -0.178 4.138 4.320 -0.005 0.000 0.205 20 K C 2.057 178.670 176.600 0.023 0.000 1.050 20 K CA 1.694 57.989 56.287 0.013 0.000 0.938 20 K CB -0.659 31.852 32.500 0.018 0.000 0.718 20 K HN 0.647 nan 8.250 nan 0.000 0.442 21 E N -0.097 120.128 120.200 0.041 0.000 2.072 21 E HA -0.210 4.137 4.350 -0.005 0.000 0.191 21 E C 2.149 178.760 176.600 0.018 0.000 0.985 21 E CA 1.219 57.676 56.400 0.096 0.000 0.801 21 E CB 0.018 29.821 29.700 0.172 0.000 0.750 21 E HN 0.725 nan 8.360 nan 0.000 0.452 22 E N 0.282 120.356 120.200 -0.209 0.000 2.110 22 E HA -0.183 4.164 4.350 -0.005 0.000 0.193 22 E C 2.098 178.559 176.600 -0.231 0.000 0.988 22 E CA 1.056 57.115 56.400 -0.567 0.000 0.804 22 E CB -0.037 29.316 29.700 -0.579 0.000 0.745 22 E HN 0.320 nan 8.360 nan 0.000 0.458 23 I N 0.760 121.273 120.570 -0.095 0.000 2.226 23 I HA -0.310 3.857 4.170 -0.005 0.000 0.245 23 I C 2.564 178.696 176.117 0.026 0.000 1.100 23 I CA 1.269 62.554 61.300 -0.026 0.000 1.374 23 I CB -0.267 37.730 38.000 -0.005 0.000 1.057 23 I HN 0.188 nan 8.210 nan 0.000 0.413 24 Q N 0.475 120.317 119.800 0.070 0.000 2.119 24 Q HA -0.159 4.178 4.340 -0.005 0.000 0.201 24 Q C 2.494 178.633 176.000 0.231 0.000 0.972 24 Q CA 1.567 57.461 55.803 0.152 0.000 0.847 24 Q CB -0.252 28.596 28.738 0.182 0.000 0.903 24 Q HN 0.583 nan 8.270 nan 0.000 0.433 25 A N 1.575 124.531 122.820 0.226 0.000 1.940 25 A HA -0.245 4.072 4.320 -0.005 0.000 0.219 25 A C 2.001 179.663 177.584 0.129 0.000 1.176 25 A CA 1.669 53.818 52.037 0.187 0.000 0.631 25 A CB -0.439 18.689 19.000 0.212 0.000 0.814 25 A HN 0.218 nan 8.150 nan 0.000 0.446 26 K N -0.204 120.232 120.400 0.059 0.000 2.057 26 K HA -0.198 4.119 4.320 -0.005 0.000 0.207 26 K C 1.890 178.496 176.600 0.010 0.000 1.049 26 K CA 1.759 58.055 56.287 0.015 0.000 0.931 26 K CB -0.170 32.328 32.500 -0.002 0.000 0.714 26 K HN 0.654 nan 8.250 nan 0.000 0.440 27 E N -0.692 119.541 120.200 0.055 0.000 2.072 27 E HA -0.215 4.132 4.350 -0.005 0.000 0.191 27 E C 1.849 178.489 176.600 0.066 0.000 0.985 27 E CA 1.160 57.593 56.400 0.055 0.000 0.801 27 E CB -0.221 29.526 29.700 0.080 0.000 0.750 27 E HN 0.375 nan 8.360 nan 0.000 0.452 28 Y N 1.641 121.940 120.300 -0.001 0.000 2.128 28 Y HA -0.240 4.307 4.550 -0.005 0.000 0.284 28 Y C 1.904 177.724 175.900 -0.134 0.000 1.154 28 Y CA 1.500 59.591 58.100 -0.015 0.000 1.149 28 Y CB -0.236 38.249 38.460 0.041 0.000 0.976 28 Y HN -0.057 nan 8.280 nan 0.000 0.505 29 L N -0.025 121.039 121.223 -0.265 0.000 2.046 29 L HA -0.205 4.132 4.340 -0.005 0.000 0.208 29 L C 2.544 179.212 176.870 -0.337 0.000 1.077 29 L CA 1.869 56.441 54.840 -0.448 0.000 0.747 29 L CB -0.597 41.213 42.059 -0.415 0.000 0.896 29 L HN 0.269 nan 8.230 nan 0.000 0.432 30 E N 0.350 120.426 120.200 -0.205 0.000 2.085 30 E HA -0.275 4.072 4.350 -0.005 0.000 0.194 30 E C 1.907 178.416 176.600 -0.153 0.000 0.994 30 E CA 1.708 58.019 56.400 -0.147 0.000 0.801 30 E CB 0.049 29.701 29.700 -0.081 0.000 0.743 30 E HN 0.347 nan 8.360 nan 0.000 0.453 31 N N -0.416 118.186 118.700 -0.163 0.000 2.171 31 N HA -0.149 4.588 4.740 -0.005 0.000 0.184 31 N C 1.724 177.109 175.510 -0.209 0.000 1.021 31 N CA 0.775 53.736 53.050 -0.149 0.000 0.854 31 N CB -0.115 38.312 38.487 -0.101 0.000 0.994 31 N HN 0.131 nan 8.380 nan 0.000 0.426 32 L N 0.891 121.905 121.223 -0.349 0.000 2.083 32 L HA -0.049 4.288 4.340 -0.005 0.000 0.209 32 L C 1.692 178.398 176.870 -0.275 0.000 1.083 32 L CA 1.603 56.225 54.840 -0.364 0.000 0.752 32 L CB -0.928 40.730 42.059 -0.669 0.000 0.899 32 L HN 0.252 nan 8.230 nan 0.000 0.433 33 N N 0.105 118.646 118.700 -0.265 0.000 2.069 33 N HA -0.219 4.518 4.740 -0.005 0.000 0.191 33 N C 1.785 177.184 175.510 -0.186 0.000 1.031 33 N CA 1.721 54.663 53.050 -0.180 0.000 0.852 33 N CB -0.147 38.255 38.487 -0.141 0.000 1.018 33 N HN 0.462 nan 8.380 nan 0.000 0.423 34 K N 0.965 121.273 120.400 -0.153 0.000 2.063 34 K HA -0.174 4.143 4.320 -0.005 0.000 0.208 34 K C 1.954 178.438 176.600 -0.194 0.000 1.048 34 K CA 1.107 57.315 56.287 -0.132 0.000 0.928 34 K CB -0.121 32.326 32.500 -0.090 0.000 0.713 34 K HN 0.328 nan 8.250 nan 0.000 0.442 35 E N 1.239 121.314 120.200 -0.209 0.000 2.077 35 E HA -0.171 4.175 4.350 -0.005 0.000 0.193 35 E C 1.972 178.354 176.600 -0.363 0.000 0.989 35 E CA 0.835 57.091 56.400 -0.240 0.000 0.800 35 E CB -0.003 29.594 29.700 -0.172 0.000 0.746 35 E HN 0.203 nan 8.360 nan 0.000 0.452 36 L N 0.389 121.346 121.223 -0.443 0.000 2.046 36 L HA -0.142 4.195 4.340 -0.005 0.000 0.208 36 L C 2.694 178.870 176.870 -1.156 0.000 1.077 36 L CA 0.987 55.380 54.840 -0.745 0.000 0.747 36 L CB -0.516 41.035 42.059 -0.848 0.000 0.896 36 L HN 0.257 nan 8.230 nan 0.000 0.432 37 A N 0.162 122.344 122.820 -1.062 0.000 1.883 37 A HA -0.282 4.034 4.320 -0.005 0.000 0.217 37 A C 2.305 179.718 177.584 -0.286 0.000 1.186 37 A CA 2.187 53.854 52.037 -0.617 0.000 0.624 37 A CB -0.424 18.515 19.000 -0.101 0.000 0.822 37 A HN 0.221 nan 8.150 nan 0.000 0.444 38 K N -0.151 120.100 120.400 -0.247 0.000 2.057 38 K HA -0.037 4.280 4.320 -0.005 0.000 0.206 38 K C 2.151 178.654 176.600 -0.163 0.000 1.050 38 K CA 1.530 57.729 56.287 -0.147 0.000 0.935 38 K CB -0.272 32.143 32.500 -0.142 0.000 0.715 38 K HN 0.462 nan 8.250 nan 0.000 0.439 39 R N -0.807 119.533 120.500 -0.268 0.000 2.092 39 R HA -0.044 4.293 4.340 -0.005 0.000 0.231 39 R C 2.020 178.224 176.300 -0.160 0.000 1.119 39 R CA 1.787 57.739 56.100 -0.247 0.000 0.970 39 R CB -0.323 29.751 30.300 -0.376 0.000 0.864 39 R HN 0.222 nan 8.270 nan 0.000 0.440 40 T N 0.801 115.226 114.554 -0.215 0.000 2.904 40 T HA -0.111 4.236 4.350 -0.005 0.000 0.267 40 T C 1.521 176.279 174.700 0.097 0.000 1.059 40 T CA 0.932 62.973 62.100 -0.099 0.000 1.137 40 T CB -0.294 68.421 68.868 -0.254 0.000 0.879 40 T HN 0.362 nan 8.240 nan 0.000 0.467 41 N N 1.356 120.132 118.700 0.125 0.000 2.061 41 N HA -0.141 4.596 4.740 -0.005 0.000 0.193 41 N C 1.847 177.478 175.510 0.201 0.000 1.030 41 N CA 1.426 54.617 53.050 0.235 0.000 0.856 41 N CB -0.248 38.344 38.487 0.176 0.000 1.023 41 N HN 0.219 nan 8.380 nan 0.000 0.424 42 V N 1.517 121.492 119.914 0.101 0.000 2.343 42 V HA -0.167 3.950 4.120 -0.005 0.000 0.247 42 V C 2.534 178.704 176.094 0.127 0.000 1.051 42 V CA 1.902 64.256 62.300 0.090 0.000 1.036 42 V CB -0.685 31.153 31.823 0.024 0.000 0.654 42 V HN 0.426 nan 8.190 nan 0.000 0.451 43 E N 0.080 120.349 120.200 0.116 0.000 2.077 43 E HA -0.220 4.126 4.350 -0.005 0.000 0.193 43 E C 2.208 178.940 176.600 0.221 0.000 0.989 43 E CA 1.899 58.385 56.400 0.143 0.000 0.800 43 E CB -0.100 29.670 29.700 0.116 0.000 0.746 43 E HN 0.634 nan 8.360 nan 0.000 0.452 44 T N 1.368 116.073 114.554 0.252 0.000 2.746 44 T HA -0.121 4.225 4.350 -0.005 0.000 0.267 44 T C 1.584 176.561 174.700 0.461 0.000 1.039 44 T CA 1.061 63.351 62.100 0.316 0.000 1.142 44 T CB -0.140 68.812 68.868 0.140 0.000 0.866 44 T HN 0.174 nan 8.240 nan 0.000 0.444 45 E N 1.272 121.745 120.200 0.454 0.000 2.077 45 E HA -0.088 4.259 4.350 -0.005 0.000 0.193 45 E C 2.606 179.418 176.600 0.354 0.000 0.989 45 E CA 1.230 57.889 56.400 0.432 0.000 0.800 45 E CB -0.433 29.412 29.700 0.240 0.000 0.746 45 E HN 0.518 nan 8.360 nan 0.000 0.452 46 A N 1.429 124.413 122.820 0.273 0.000 1.902 46 A HA -0.087 4.230 4.320 -0.005 0.000 0.217 46 A C 2.416 180.167 177.584 0.278 0.000 1.181 46 A CA 2.034 54.206 52.037 0.225 0.000 0.623 46 A CB -0.533 18.564 19.000 0.161 0.000 0.818 46 A HN 0.272 nan 8.150 nan 0.000 0.443 47 A N -1.273 121.759 122.820 0.354 0.000 1.930 47 A HA -0.157 4.160 4.320 -0.005 0.000 0.217 47 A C 2.074 179.926 177.584 0.447 0.000 1.175 47 A CA 1.324 53.637 52.037 0.461 0.000 0.627 47 A CB -0.818 18.518 19.000 0.559 0.000 0.815 47 A HN 0.885 nan 8.150 nan 0.000 0.443 48 W N 0.875 122.208 121.300 0.055 0.000 2.379 48 W HA -0.143 4.515 4.660 -0.003 0.000 0.307 48 W C 2.158 178.584 176.519 -0.156 0.000 1.200 48 W CA 1.914 59.003 57.345 -0.427 0.000 1.297 48 W CB -0.449 28.811 29.460 -0.332 0.000 1.140 48 W HN 0.404 nan 8.180 nan 0.000 0.507 49 A N -0.075 122.817 122.820 0.119 0.000 1.940 49 A HA -0.284 4.032 4.320 -0.005 0.000 0.219 49 A C 1.859 179.443 177.584 0.000 0.000 1.176 49 A CA 1.790 53.849 52.037 0.037 0.000 0.631 49 A CB -1.593 17.496 19.000 0.148 0.000 0.814 49 A HN 0.536 nan 8.150 nan 0.000 0.446 50 Y N 0.614 120.900 120.300 -0.025 0.000 2.220 50 Y HA 0.054 4.600 4.550 -0.006 0.000 0.291 50 Y C 2.403 178.277 175.900 -0.043 0.000 1.129 50 Y CA 1.266 59.364 58.100 -0.004 0.000 1.161 50 Y CB -0.745 37.752 38.460 0.062 0.000 0.997 50 Y HN 0.209 nan 8.280 nan 0.000 0.522 51 G N -1.301 107.426 108.800 -0.121 0.000 2.443 51 G HA2 -0.183 3.774 3.960 -0.005 0.000 0.219 51 G HA3 -0.183 3.774 3.960 -0.005 0.000 0.219 51 G C 1.587 176.268 174.900 -0.365 0.000 1.131 51 G CA 1.029 46.006 45.100 -0.205 0.000 0.775 51 G HN 0.438 nan 8.290 nan 0.000 0.547 52 S N -0.361 115.027 115.700 -0.519 0.000 2.528 52 S HA 0.102 4.568 4.470 -0.005 0.000 0.219 52 S C 0.612 175.031 174.600 -0.302 0.000 0.985 52 S CA 0.046 57.938 58.200 -0.514 0.000 0.914 52 S CB 0.216 62.973 63.200 -0.739 0.000 0.776 52 S HN 0.381 nan 8.310 nan 0.000 0.526 53 N N 0.834 119.377 118.700 -0.262 0.000 2.976 53 N HA 0.221 4.958 4.740 -0.005 0.000 0.220 53 N C -1.553 173.854 175.510 -0.172 0.000 1.428 53 N CA -0.103 52.846 53.050 -0.167 0.000 0.748 53 N CB 0.038 38.462 38.487 -0.103 0.000 1.484 53 N HN 0.055 nan 8.380 nan 0.000 0.578 54 I N 2.329 122.752 120.570 -0.245 0.000 2.494 54 I HA 0.157 4.324 4.170 -0.005 0.000 0.289 54 I C 0.524 176.614 176.117 -0.045 0.000 1.106 54 I CA 0.323 61.441 61.300 -0.303 0.000 1.369 54 I CB 0.196 37.986 38.000 -0.351 0.000 1.410 54 I HN 0.458 nan 8.210 nan 0.000 0.523 55 T N 0.004 114.618 114.554 0.099 0.000 2.864 55 T HA 0.284 4.630 4.350 -0.005 0.000 0.299 55 T C 0.414 175.225 174.700 0.185 0.000 1.166 55 T CA -0.868 61.302 62.100 0.117 0.000 1.007 55 T CB 2.052 70.966 68.868 0.077 0.000 1.219 55 T HN 0.329 nan 8.240 nan 0.000 0.506 56 D N 0.237 120.708 120.400 0.119 0.000 2.178 56 D HA -0.086 4.551 4.640 -0.005 0.000 0.201 56 D C 1.653 177.996 176.300 0.073 0.000 0.980 56 D CA 1.177 55.233 54.000 0.094 0.000 0.842 56 D CB 0.065 40.901 40.800 0.060 0.000 0.948 56 D HN 0.821 nan 8.370 nan 0.000 0.472 57 E N 0.344 120.587 120.200 0.073 0.000 2.072 57 E HA -0.151 4.196 4.350 -0.005 0.000 0.191 57 E C 1.550 178.192 176.600 0.070 0.000 0.985 57 E CA 0.729 57.163 56.400 0.058 0.000 0.801 57 E CB 0.197 29.928 29.700 0.052 0.000 0.750 57 E HN 0.100 nan 8.360 nan 0.000 0.452 58 N N 0.814 119.587 118.700 0.123 0.000 2.270 58 N HA -0.154 4.582 4.740 -0.005 0.000 0.181 58 N C 1.642 177.202 175.510 0.083 0.000 1.016 58 N CA 0.781 53.930 53.050 0.165 0.000 0.870 58 N CB -0.234 38.414 38.487 0.268 0.000 0.979 58 N HN 0.341 nan 8.380 nan 0.000 0.431 59 E N 1.467 121.673 120.200 0.010 0.000 2.038 59 E HA -0.203 4.144 4.350 -0.005 0.000 0.195 59 E C 1.831 178.308 176.600 -0.204 0.000 1.000 59 E CA 1.165 57.334 56.400 -0.385 0.000 0.803 59 E CB 0.047 29.619 29.700 -0.214 0.000 0.750 59 E HN 0.184 nan 8.360 nan 0.000 0.448 60 K N 0.556 120.911 120.400 -0.075 0.000 2.044 60 K HA -0.218 4.099 4.320 -0.005 0.000 0.210 60 K C 2.206 178.790 176.600 -0.026 0.000 1.049 60 K CA 1.875 58.138 56.287 -0.040 0.000 0.927 60 K CB 0.026 32.522 32.500 -0.006 0.000 0.713 60 K HN 0.002 nan 8.250 nan 0.000 0.443 61 K N 0.504 120.901 120.400 -0.005 0.000 2.026 61 K HA -0.179 4.138 4.320 -0.005 0.000 0.208 61 K C 2.236 178.847 176.600 0.018 0.000 1.048 61 K CA 1.456 57.754 56.287 0.019 0.000 0.929 61 K CB -0.115 32.412 32.500 0.045 0.000 0.713 61 K HN 0.129 nan 8.250 nan 0.000 0.439 62 K N 1.019 121.413 120.400 -0.010 0.000 2.026 62 K HA -0.168 4.149 4.320 -0.005 0.000 0.208 62 K C 1.633 178.227 176.600 -0.009 0.000 1.048 62 K CA 1.623 57.910 56.287 -0.001 0.000 0.929 62 K CB -0.015 32.440 32.500 -0.076 0.000 0.713 62 K HN 0.048 nan 8.250 nan 0.000 0.439 63 N N 1.103 119.765 118.700 -0.064 0.000 2.331 63 N HA -0.105 4.632 4.740 -0.005 0.000 0.180 63 N C 1.395 176.913 175.510 0.013 0.000 1.019 63 N CA 1.018 54.039 53.050 -0.049 0.000 0.881 63 N CB 0.023 38.450 38.487 -0.100 0.000 0.972 63 N HN 0.383 nan 8.380 nan 0.000 0.435 64 E N 0.163 120.374 120.200 0.018 0.000 2.112 64 E HA -0.010 4.337 4.350 -0.005 0.000 0.190 64 E C 1.627 178.264 176.600 0.061 0.000 0.979 64 E CA 0.412 56.836 56.400 0.041 0.000 0.814 64 E CB 0.130 29.847 29.700 0.027 0.000 0.762 64 E HN 0.219 nan 8.360 nan 0.000 0.460 65 I N 0.972 121.578 120.570 0.060 0.000 2.226 65 I HA -0.203 3.964 4.170 -0.005 0.000 0.245 65 I C 2.283 178.458 176.117 0.096 0.000 1.100 65 I CA 1.130 62.471 61.300 0.067 0.000 1.374 65 I CB -1.297 36.745 38.000 0.071 0.000 1.057 65 I HN -0.028 nan 8.210 nan 0.000 0.413 66 S N 1.086 116.864 115.700 0.129 0.000 2.368 66 S HA -0.117 4.349 4.470 -0.005 0.000 0.225 66 S C 2.264 177.052 174.600 0.313 0.000 1.030 66 S CA 1.428 59.756 58.200 0.213 0.000 0.999 66 S CB -0.308 63.023 63.200 0.218 0.000 0.844 66 S HN 0.563 nan 8.310 nan 0.000 0.459 67 A N 1.091 124.097 122.820 0.310 0.000 1.933 67 A HA -0.171 4.146 4.320 -0.005 0.000 0.218 67 A C 2.006 179.667 177.584 0.128 0.000 1.175 67 A CA 1.790 54.009 52.037 0.303 0.000 0.628 67 A CB -0.558 18.579 19.000 0.229 0.000 0.814 67 A HN 0.615 nan 8.150 nan 0.000 0.444 68 E N -0.766 119.494 120.200 0.099 0.000 2.072 68 E HA -0.171 4.176 4.350 -0.005 0.000 0.191 68 E C 1.884 178.521 176.600 0.061 0.000 0.985 68 E CA 1.196 57.634 56.400 0.063 0.000 0.801 68 E CB -0.166 29.558 29.700 0.041 0.000 0.750 68 E HN 0.443 nan 8.360 nan 0.000 0.452 69 L N 0.721 121.979 121.223 0.059 0.000 2.093 69 L HA -0.026 4.311 4.340 -0.005 0.000 0.208 69 L C 2.201 179.103 176.870 0.054 0.000 1.085 69 L CA 2.005 56.880 54.840 0.059 0.000 0.755 69 L CB -0.687 41.398 42.059 0.043 0.000 0.904 69 L HN 0.167 nan 8.230 nan 0.000 0.435 70 A N -0.566 122.230 122.820 -0.041 0.000 1.908 70 A HA -0.292 4.025 4.320 -0.005 0.000 0.218 70 A C 2.463 179.967 177.584 -0.132 0.000 1.181 70 A CA 2.081 53.981 52.037 -0.227 0.000 0.627 70 A CB -0.648 17.909 19.000 -0.738 0.000 0.818 70 A HN 0.484 nan 8.150 nan 0.000 0.445 71 K N -1.710 118.659 120.400 -0.053 0.000 2.063 71 K HA -0.177 4.140 4.320 -0.005 0.000 0.208 71 K C 1.780 178.403 176.600 0.039 0.000 1.048 71 K CA 1.739 58.023 56.287 -0.005 0.000 0.928 71 K CB -0.311 32.209 32.500 0.033 0.000 0.713 71 K HN 0.445 nan 8.250 nan 0.000 0.442 72 F N 0.986 120.901 119.950 -0.059 0.000 2.146 72 F HA -0.185 4.338 4.527 -0.006 0.000 0.298 72 F C 1.986 177.754 175.800 -0.053 0.000 1.096 72 F CA 1.149 59.118 58.000 -0.051 0.000 1.275 72 F CB -0.041 38.922 39.000 -0.061 0.000 1.008 72 F HN 0.008 nan 8.300 nan 0.000 0.480 73 M N 0.445 120.023 119.600 -0.038 0.000 2.159 73 M HA -0.207 4.270 4.480 -0.005 0.000 0.263 73 M C 2.097 178.307 176.300 -0.150 0.000 1.063 73 M CA 1.515 56.746 55.300 -0.115 0.000 1.110 73 M CB -1.256 31.317 32.600 -0.046 0.000 1.374 73 M HN 0.136 nan 8.290 nan 0.000 0.411 74 K N -0.152 120.175 120.400 -0.122 0.000 2.032 74 K HA -0.208 4.109 4.320 -0.005 0.000 0.209 74 K C 2.032 178.563 176.600 -0.114 0.000 1.048 74 K CA 1.502 57.730 56.287 -0.098 0.000 0.927 74 K CB -0.205 32.249 32.500 -0.076 0.000 0.712 74 K HN 0.410 nan 8.250 nan 0.000 0.441 75 E N 0.488 120.587 120.200 -0.168 0.000 2.110 75 E HA -0.170 4.177 4.350 -0.005 0.000 0.193 75 E C 1.923 178.403 176.600 -0.201 0.000 0.988 75 E CA 0.987 57.278 56.400 -0.181 0.000 0.804 75 E CB 0.207 29.772 29.700 -0.225 0.000 0.745 75 E HN 0.039 nan 8.360 nan 0.000 0.458 76 V N 1.065 120.785 119.914 -0.323 0.000 2.307 76 V HA -0.263 3.854 4.120 -0.005 0.000 0.245 76 V C 2.427 178.492 176.094 -0.049 0.000 1.045 76 V CA 1.826 63.996 62.300 -0.218 0.000 1.024 76 V CB -0.748 30.884 31.823 -0.319 0.000 0.651 76 V HN 0.409 nan 8.190 nan 0.000 0.449 77 A N -0.632 122.152 122.820 -0.061 0.000 1.908 77 A HA -0.261 4.056 4.320 -0.005 0.000 0.218 77 A C 2.570 180.174 177.584 0.033 0.000 1.181 77 A CA 2.359 54.394 52.037 -0.002 0.000 0.627 77 A CB -0.864 18.125 19.000 -0.017 0.000 0.818 77 A HN 0.499 nan 8.150 nan 0.000 0.445 78 S N -0.307 115.394 115.700 0.001 0.000 2.368 78 S HA -0.192 4.275 4.470 -0.005 0.000 0.225 78 S C 1.559 176.183 174.600 0.041 0.000 1.030 78 S CA 1.777 59.983 58.200 0.011 0.000 0.999 78 S CB -0.526 62.663 63.200 -0.017 0.000 0.844 78 S HN 0.548 nan 8.310 nan 0.000 0.459 79 D N 0.637 121.072 120.400 0.058 0.000 2.264 79 D HA -0.031 4.606 4.640 -0.005 0.000 0.208 79 D C 2.219 178.656 176.300 0.229 0.000 0.966 79 D CA 1.509 55.573 54.000 0.107 0.000 0.864 79 D CB -0.617 40.271 40.800 0.147 0.000 0.933 79 D HN 0.710 nan 8.370 nan 0.000 0.499 80 T N -1.956 112.765 114.554 0.278 0.000 2.962 80 T HA -0.150 4.197 4.350 -0.005 0.000 0.270 80 T C 1.934 176.853 174.700 0.365 0.000 1.088 80 T CA 1.677 64.029 62.100 0.419 0.000 1.127 80 T CB -0.693 68.374 68.868 0.333 0.000 0.883 80 T HN 0.171 nan 8.240 nan 0.000 0.493 81 T N -0.456 114.219 114.554 0.202 0.000 3.072 81 T HA 0.128 4.475 4.350 -0.005 0.000 0.266 81 T C 1.737 176.441 174.700 0.007 0.000 1.127 81 T CA 0.377 62.536 62.100 0.099 0.000 1.107 81 T CB -0.374 68.518 68.868 0.040 0.000 0.910 81 T HN 0.446 nan 8.240 nan 0.000 0.513 82 K N -0.092 120.292 120.400 -0.026 0.000 2.366 82 K HA 0.183 4.499 4.320 -0.005 0.000 0.198 82 K C -0.383 176.008 176.600 -0.349 0.000 1.044 82 K CA 0.311 56.468 56.287 -0.217 0.000 0.973 82 K CB 0.038 32.340 32.500 -0.331 0.000 0.767 82 K HN 0.403 nan 8.250 nan 0.000 0.475 83 F N 1.414 121.305 119.950 -0.098 0.000 2.421 83 F HA 0.164 4.688 4.527 -0.004 0.000 0.337 83 F C 0.912 176.547 175.800 -0.275 0.000 1.105 83 F CA -0.880 57.027 58.000 -0.155 0.000 1.049 83 F CB 1.254 40.088 39.000 -0.277 0.000 1.139 83 F HN -0.238 nan 8.300 nan 0.000 0.479 84 Q N 4.841 124.552 119.800 -0.148 0.000 2.903 84 Q HA -0.048 4.289 4.340 -0.005 0.000 0.295 84 Q C 1.305 176.786 176.000 -0.865 0.000 1.157 84 Q CA -0.087 55.486 55.803 -0.383 0.000 0.930 84 Q CB -0.344 28.270 28.738 -0.206 0.000 1.571 84 Q HN 0.902 nan 8.270 nan 0.000 0.440 85 W N -0.010 120.696 121.300 -0.991 0.000 2.374 85 W HA -0.137 4.520 4.660 -0.004 0.000 0.288 85 W C 0.739 176.798 176.519 -0.766 0.000 1.218 85 W CA 0.278 56.798 57.345 -1.375 0.000 1.245 85 W CB -0.498 28.244 29.460 -1.197 0.000 1.126 85 W HN 0.241 nan 8.180 nan 0.000 0.545 86 R N 0.889 120.779 120.500 -1.017 0.000 2.237 86 R HA -0.056 4.281 4.340 -0.005 0.000 0.219 86 R C 2.154 178.240 176.300 -0.356 0.000 1.080 86 R CA 1.491 57.167 56.100 -0.706 0.000 0.995 86 R CB -0.266 29.515 30.300 -0.865 0.000 0.875 86 R HN 0.072 nan 8.270 nan 0.000 0.462 87 S N -0.390 115.086 115.700 -0.373 0.000 2.558 87 S HA 0.073 4.540 4.470 -0.005 0.000 0.217 87 S C -0.116 174.515 174.600 0.053 0.000 0.975 87 S CA 0.051 58.159 58.200 -0.153 0.000 0.912 87 S CB 0.043 63.164 63.200 -0.132 0.000 0.776 87 S HN 0.132 nan 8.310 nan 0.000 0.526 88 Y N 2.564 122.872 120.300 0.013 0.000 2.357 88 Y HA 0.216 4.763 4.550 -0.005 0.000 0.340 88 Y C 1.761 177.694 175.900 0.056 0.000 1.260 88 Y CA -1.297 56.835 58.100 0.054 0.000 1.425 88 Y CB 0.304 38.826 38.460 0.103 0.000 1.326 88 Y HN 0.044 nan 8.280 nan 0.000 0.580 89 Q N 0.440 120.374 119.800 0.223 0.000 2.163 89 Q HA -0.042 4.294 4.340 -0.005 0.000 0.198 89 Q C 0.693 176.770 176.000 0.128 0.000 0.954 89 Q CA 0.580 56.461 55.803 0.130 0.000 0.851 89 Q CB -0.164 28.621 28.738 0.079 0.000 0.928 89 Q HN 0.555 nan 8.270 nan 0.000 0.459 90 S N 1.501 117.287 115.700 0.143 0.000 2.455 90 S HA 0.017 4.484 4.470 -0.005 0.000 0.278 90 S C 1.054 175.756 174.600 0.169 0.000 1.216 90 S CA -0.370 57.908 58.200 0.130 0.000 1.055 90 S CB 0.615 63.879 63.200 0.106 0.000 0.939 90 S HN 0.055 nan 8.310 nan 0.000 0.494 91 E N 3.865 124.144 120.200 0.131 0.000 2.110 91 E HA -0.162 4.185 4.350 -0.005 0.000 0.193 91 E C 1.367 178.059 176.600 0.154 0.000 0.988 91 E CA 1.385 57.865 56.400 0.133 0.000 0.804 91 E CB -0.297 29.455 29.700 0.087 0.000 0.745 91 E HN 0.891 nan 8.360 nan 0.000 0.458 92 D N 0.432 120.918 120.400 0.143 0.000 2.097 92 D HA -0.118 4.519 4.640 -0.005 0.000 0.195 92 D C 2.128 178.539 176.300 0.186 0.000 0.989 92 D CA 0.889 54.995 54.000 0.176 0.000 0.827 92 D CB -0.080 40.811 40.800 0.152 0.000 0.966 92 D HN 0.077 nan 8.370 nan 0.000 0.456 93 L N -0.030 121.305 121.223 0.187 0.000 2.056 93 L HA -0.123 4.214 4.340 -0.005 0.000 0.207 93 L C 2.554 179.641 176.870 0.363 0.000 1.078 93 L CA 1.083 56.068 54.840 0.241 0.000 0.749 93 L CB -0.420 41.815 42.059 0.293 0.000 0.901 93 L HN 0.032 nan 8.230 nan 0.000 0.433 94 K N -0.093 120.535 120.400 0.379 0.000 2.063 94 K HA -0.226 4.091 4.320 -0.005 0.000 0.208 94 K C 2.265 178.986 176.600 0.202 0.000 1.048 94 K CA 1.350 57.882 56.287 0.409 0.000 0.928 94 K CB -0.212 32.530 32.500 0.402 0.000 0.713 94 K HN 0.187 nan 8.250 nan 0.000 0.442 95 R N 1.434 122.037 120.500 0.172 0.000 2.081 95 R HA -0.163 4.173 4.340 -0.005 0.000 0.235 95 R C 2.211 178.532 176.300 0.035 0.000 1.131 95 R CA 1.545 57.719 56.100 0.125 0.000 0.960 95 R CB 0.043 30.454 30.300 0.185 0.000 0.856 95 R HN 0.280 nan 8.270 nan 0.000 0.436 96 Q N -0.776 119.005 119.800 -0.032 0.000 2.050 96 Q HA -0.167 4.170 4.340 -0.005 0.000 0.202 96 Q C 1.966 177.738 176.000 -0.381 0.000 0.980 96 Q CA 1.667 57.299 55.803 -0.286 0.000 0.840 96 Q CB -0.130 28.353 28.738 -0.425 0.000 0.898 96 Q HN 0.299 nan 8.270 nan 0.000 0.424 97 F N 1.199 120.897 119.950 -0.420 0.000 2.134 97 F HA -0.195 4.329 4.527 -0.004 0.000 0.299 97 F C 2.406 177.633 175.800 -0.954 0.000 1.097 97 F CA 1.370 58.921 58.000 -0.747 0.000 1.264 97 F CB -0.113 38.229 39.000 -1.096 0.000 1.001 97 F HN -0.032 nan 8.300 nan 0.000 0.479 98 K N 0.161 120.120 120.400 -0.734 0.000 2.057 98 K HA -0.158 4.159 4.320 -0.005 0.000 0.207 98 K C 2.254 178.723 176.600 -0.219 0.000 1.049 98 K CA 1.118 57.111 56.287 -0.490 0.000 0.931 98 K CB -0.304 32.092 32.500 -0.173 0.000 0.714 98 K HN 0.197 nan 8.250 nan 0.000 0.440 99 A N 0.963 123.672 122.820 -0.184 0.000 1.940 99 A HA -0.139 4.178 4.320 -0.005 0.000 0.219 99 A C 1.946 179.446 177.584 -0.139 0.000 1.176 99 A CA 1.318 53.275 52.037 -0.133 0.000 0.631 99 A CB -0.544 18.374 19.000 -0.138 0.000 0.814 99 A HN 0.327 nan 8.150 nan 0.000 0.446 100 L N 0.081 121.188 121.223 -0.194 0.000 2.552 100 L HA -0.061 4.276 4.340 -0.005 0.000 0.227 100 L C 2.467 179.284 176.870 -0.088 0.000 1.146 100 L CA 1.277 56.028 54.840 -0.148 0.000 0.858 100 L CB -0.440 41.502 42.059 -0.195 0.000 0.969 100 L HN 0.629 nan 8.230 nan 0.000 0.451 101 T N -4.135 110.368 114.554 -0.085 0.000 3.081 101 T HA -0.019 4.327 4.350 -0.005 0.000 0.255 101 T C 0.953 175.657 174.700 0.006 0.000 1.113 101 T CA 0.030 62.124 62.100 -0.011 0.000 1.082 101 T CB -0.137 68.757 68.868 0.043 0.000 0.939 101 T HN 0.134 nan 8.240 nan 0.000 0.506 102 K N 1.621 122.020 120.400 -0.002 0.000 2.142 102 K HA 0.382 4.699 4.320 -0.005 0.000 0.250 102 K C 0.594 177.203 176.600 0.014 0.000 1.148 102 K CA -0.269 56.038 56.287 0.033 0.000 1.040 102 K CB 0.387 32.910 32.500 0.038 0.000 1.569 102 K HN 0.267 nan 8.250 nan 0.000 0.361 103 L N 1.213 122.448 121.223 0.020 0.000 2.156 103 L HA -0.131 4.205 4.340 -0.005 0.000 0.208 103 L C 1.500 178.375 176.870 0.007 0.000 1.095 103 L CA 1.148 55.990 54.840 0.002 0.000 0.770 103 L CB -0.648 41.411 42.059 -0.001 0.000 0.914 103 L HN 0.975 nan 8.230 nan 0.000 0.439 104 G N -0.577 108.238 108.800 0.025 0.000 2.583 104 G HA2 -0.405 3.552 3.960 -0.005 0.000 0.292 104 G HA3 -0.405 3.552 3.960 -0.005 0.000 0.292 104 G C 0.416 175.372 174.900 0.093 0.000 1.203 104 G CA 0.635 45.721 45.100 -0.023 0.000 0.987 104 G HN 0.094 nan 8.290 nan 0.000 0.554 105 Y N 0.971 121.328 120.300 0.095 0.000 2.315 105 Y HA 0.130 4.677 4.550 -0.005 0.000 0.288 105 Y C 3.288 179.249 175.900 0.103 0.000 1.154 105 Y CA 1.569 59.770 58.100 0.167 0.000 1.229 105 Y CB -1.252 37.401 38.460 0.321 0.000 0.980 105 Y HN 0.725 nan 8.280 nan 0.000 0.540 106 A N -0.162 122.704 122.820 0.076 0.000 2.225 106 A HA 0.059 4.376 4.320 -0.005 0.000 0.215 106 A C 2.385 179.897 177.584 -0.120 0.000 1.164 106 A CA 1.147 53.045 52.037 -0.232 0.000 0.710 106 A CB -0.862 18.018 19.000 -0.200 0.000 0.780 106 A HN 0.344 nan 8.150 nan 0.000 0.473 107 A N -0.511 122.307 122.820 -0.003 0.000 2.067 107 A HA 0.297 4.614 4.320 -0.005 0.000 0.217 107 A C 0.994 178.588 177.584 0.016 0.000 1.156 107 A CA 0.037 52.078 52.037 0.005 0.000 0.683 107 A CB -0.349 18.671 19.000 0.032 0.000 0.808 107 A HN 0.456 nan 8.150 nan 0.000 0.455 108 L N 0.887 122.143 121.223 0.055 0.000 2.485 108 L HA 0.157 4.494 4.340 -0.005 0.000 0.275 108 L C -2.113 174.788 176.870 0.050 0.000 1.207 108 L CA -1.757 53.128 54.840 0.074 0.000 0.855 108 L CB 0.174 42.324 42.059 0.152 0.000 1.114 108 L HN 0.066 nan 8.230 nan 0.000 0.485 109 P HA -0.065 nan 4.420 nan 0.000 0.266 109 P C 0.477 177.816 177.300 0.066 0.000 1.193 109 P CA 0.012 63.133 63.100 0.035 0.000 0.770 109 P CB 0.526 32.241 31.700 0.026 0.000 0.836 110 E N 1.494 121.726 120.200 0.054 0.000 2.086 110 E HA -0.337 4.010 4.350 -0.005 0.000 0.205 110 E C 1.008 177.670 176.600 0.103 0.000 1.027 110 E CA 1.952 58.400 56.400 0.081 0.000 0.830 110 E CB -0.147 29.584 29.700 0.052 0.000 0.751 110 E HN 0.425 nan 8.360 nan 0.000 0.456 111 D N 0.221 120.659 120.400 0.063 0.000 2.144 111 D HA -0.139 4.497 4.640 -0.005 0.000 0.199 111 D C 1.595 177.920 176.300 0.041 0.000 0.984 111 D CA 1.058 55.084 54.000 0.044 0.000 0.834 111 D CB -0.357 40.458 40.800 0.025 0.000 0.955 111 D HN 0.243 nan 8.370 nan 0.000 0.465 112 D N -0.560 119.870 120.400 0.050 0.000 2.144 112 D HA -0.148 4.489 4.640 -0.005 0.000 0.200 112 D C 1.904 178.233 176.300 0.047 0.000 0.978 112 D CA 0.515 54.535 54.000 0.033 0.000 0.833 112 D CB -0.371 40.447 40.800 0.030 0.000 0.961 112 D HN 0.255 nan 8.370 nan 0.000 0.470 113 Y N 1.721 122.007 120.300 -0.023 0.000 2.181 113 Y HA -0.171 4.375 4.550 -0.005 0.000 0.288 113 Y C 2.272 178.159 175.900 -0.022 0.000 1.146 113 Y CA 1.578 59.666 58.100 -0.019 0.000 1.164 113 Y CB -0.421 38.047 38.460 0.014 0.000 0.982 113 Y HN -0.053 nan 8.280 nan 0.000 0.515 114 A N -0.089 122.731 122.820 0.001 0.000 1.933 114 A HA -0.240 4.076 4.320 -0.005 0.000 0.218 114 A C 2.249 179.764 177.584 -0.115 0.000 1.175 114 A CA 1.894 53.889 52.037 -0.070 0.000 0.628 114 A CB -0.852 18.154 19.000 0.010 0.000 0.814 114 A HN 0.631 nan 8.150 nan 0.000 0.444 115 E N -0.718 119.433 120.200 -0.082 0.000 2.106 115 E HA -0.178 4.169 4.350 -0.005 0.000 0.192 115 E C 1.905 178.434 176.600 -0.120 0.000 0.984 115 E CA 1.215 57.568 56.400 -0.079 0.000 0.806 115 E CB -0.152 29.519 29.700 -0.049 0.000 0.750 115 E HN 0.462 nan 8.360 nan 0.000 0.458 116 L N 0.964 122.079 121.223 -0.180 0.000 2.056 116 L HA -0.140 4.197 4.340 -0.005 0.000 0.207 116 L C 2.101 178.819 176.870 -0.253 0.000 1.078 116 L CA 1.467 56.169 54.840 -0.231 0.000 0.749 116 L CB -0.442 41.413 42.059 -0.339 0.000 0.901 116 L HN 0.198 nan 8.230 nan 0.000 0.433 117 L N -0.620 120.397 121.223 -0.344 0.000 2.042 117 L HA -0.230 4.107 4.340 -0.005 0.000 0.210 117 L C 2.252 179.020 176.870 -0.170 0.000 1.076 117 L CA 1.427 56.095 54.840 -0.287 0.000 0.749 117 L CB -0.821 41.027 42.059 -0.352 0.000 0.893 117 L HN 0.288 nan 8.230 nan 0.000 0.432 118 D N -0.731 119.586 120.400 -0.138 0.000 2.144 118 D HA -0.142 4.494 4.640 -0.005 0.000 0.199 118 D C 2.170 178.435 176.300 -0.059 0.000 0.984 118 D CA 1.575 55.523 54.000 -0.086 0.000 0.834 118 D CB -0.178 40.584 40.800 -0.063 0.000 0.955 118 D HN 0.275 nan 8.370 nan 0.000 0.465 119 T N 0.994 115.509 114.554 -0.065 0.000 2.737 119 T HA -0.038 4.309 4.350 -0.005 0.000 0.265 119 T C 2.247 176.920 174.700 -0.044 0.000 1.038 119 T CA 0.504 62.584 62.100 -0.034 0.000 1.144 119 T CB -0.221 68.635 68.868 -0.020 0.000 0.866 119 T HN 0.118 nan 8.240 nan 0.000 0.434 120 L N 1.560 122.735 121.223 -0.081 0.000 2.046 120 L HA -0.110 4.227 4.340 -0.005 0.000 0.208 120 L C 2.948 179.798 176.870 -0.034 0.000 1.077 120 L CA 1.546 56.332 54.840 -0.090 0.000 0.747 120 L CB -0.755 41.252 42.059 -0.087 0.000 0.896 120 L HN 0.388 nan 8.230 nan 0.000 0.432 121 S N -0.136 115.550 115.700 -0.023 0.000 2.406 121 S HA -0.073 4.394 4.470 -0.005 0.000 0.228 121 S C 2.144 176.800 174.600 0.093 0.000 1.020 121 S CA 0.650 58.875 58.200 0.042 0.000 0.965 121 S CB -0.324 62.824 63.200 -0.087 0.000 0.798 121 S HN 0.333 nan 8.310 nan 0.000 0.488 122 A N 2.150 124.997 122.820 0.046 0.000 1.902 122 A HA 0.087 4.404 4.320 -0.005 0.000 0.217 122 A C 2.352 179.982 177.584 0.076 0.000 1.181 122 A CA 1.607 53.681 52.037 0.063 0.000 0.623 122 A CB -0.704 18.320 19.000 0.040 0.000 0.818 122 A HN 0.572 nan 8.150 nan 0.000 0.443 123 M N -1.500 118.133 119.600 0.054 0.000 2.123 123 M HA -0.110 4.367 4.480 -0.005 0.000 0.263 123 M C 2.251 178.597 176.300 0.077 0.000 1.069 123 M CA 1.864 57.199 55.300 0.058 0.000 1.133 123 M CB -0.363 32.246 32.600 0.014 0.000 1.356 123 M HN 0.621 nan 8.290 nan 0.000 0.415 124 E N 0.438 120.675 120.200 0.061 0.000 2.106 124 E HA -0.173 4.174 4.350 -0.005 0.000 0.192 124 E C 1.971 178.696 176.600 0.207 0.000 0.984 124 E CA 1.736 58.195 56.400 0.099 0.000 0.806 124 E CB 0.139 29.892 29.700 0.089 0.000 0.750 124 E HN 0.492 nan 8.360 nan 0.000 0.458 125 S N 0.513 116.331 115.700 0.196 0.000 2.387 125 S HA -0.172 4.295 4.470 -0.005 0.000 0.226 125 S C 1.927 176.611 174.600 0.139 0.000 1.026 125 S CA 1.029 59.330 58.200 0.168 0.000 0.972 125 S CB -0.519 62.802 63.200 0.201 0.000 0.814 125 S HN 0.334 nan 8.310 nan 0.000 0.477 126 N N 1.052 119.832 118.700 0.133 0.000 2.069 126 N HA -0.193 4.544 4.740 -0.005 0.000 0.191 126 N C 1.630 177.208 175.510 0.112 0.000 1.031 126 N CA 1.715 54.824 53.050 0.099 0.000 0.852 126 N CB -0.550 37.987 38.487 0.084 0.000 1.018 126 N HN 0.494 nan 8.380 nan 0.000 0.423 127 F N 1.631 121.602 119.950 0.035 0.000 2.095 127 F HA -0.093 4.431 4.527 -0.005 0.000 0.298 127 F C 2.445 178.322 175.800 0.130 0.000 1.104 127 F CA 1.861 59.903 58.000 0.069 0.000 1.232 127 F CB -0.496 38.563 39.000 0.099 0.000 0.987 127 F HN 0.147 nan 8.300 nan 0.000 0.475 128 A N -0.540 122.458 122.820 0.298 0.000 2.066 128 A HA -0.111 4.206 4.320 -0.005 0.000 0.218 128 A C 1.946 179.565 177.584 0.059 0.000 1.157 128 A CA 1.293 53.446 52.037 0.194 0.000 0.670 128 A CB -0.501 18.608 19.000 0.182 0.000 0.804 128 A HN 0.469 nan 8.150 nan 0.000 0.453 129 K N -0.347 120.075 120.400 0.038 0.000 2.372 129 K HA 0.254 4.571 4.320 -0.005 0.000 0.200 129 K C -0.430 176.168 176.600 -0.004 0.000 1.022 129 K CA -0.252 56.044 56.287 0.016 0.000 1.125 129 K CB 0.695 33.211 32.500 0.025 0.000 0.855 129 K HN 0.208 nan 8.250 nan 0.000 0.524 130 V N 3.130 123.018 119.914 -0.042 0.000 2.540 130 V HA -0.042 4.075 4.120 -0.005 0.000 0.297 130 V C 0.194 176.295 176.094 0.013 0.000 1.024 130 V CA 0.578 62.849 62.300 -0.049 0.000 1.105 130 V CB 0.295 32.036 31.823 -0.136 0.000 0.938 130 V HN 0.127 nan 8.190 nan 0.000 0.482 131 K N 4.137 124.554 120.400 0.027 0.000 2.427 131 K HA 0.657 4.973 4.320 -0.005 0.000 0.252 131 K C -0.776 175.870 176.600 0.076 0.000 0.931 131 K CA -0.498 55.823 56.287 0.056 0.000 0.793 131 K CB 2.342 34.869 32.500 0.045 0.000 1.211 131 K HN 0.535 nan 8.250 nan 0.000 0.426 132 V N -1.507 118.479 119.914 0.121 0.000 3.019 132 V HA 0.609 4.726 4.120 -0.005 0.000 0.317 132 V C 0.052 176.263 176.094 0.194 0.000 1.094 132 V CA -0.888 61.502 62.300 0.151 0.000 1.000 132 V CB 1.751 33.691 31.823 0.195 0.000 1.060 132 V HN 0.782 nan 8.190 nan 0.000 0.443 133 c N 2.189 120.917 118.600 0.213 0.000 2.539 133 c HA 0.358 4.924 4.570 -0.005 0.000 0.392 133 c C 0.474 174.760 174.090 0.327 0.000 1.269 133 c CA -0.160 56.305 56.329 0.227 0.000 2.250 133 c CB 0.005 42.627 42.510 0.186 0.000 2.584 133 c HN 1.016 nan 8.230 nan 0.000 0.589 134 D N 0.308 120.854 120.400 0.244 0.000 2.458 134 D HA -0.072 4.565 4.640 -0.005 0.000 0.243 134 D C 0.553 176.909 176.300 0.094 0.000 1.146 134 D CA 0.260 54.418 54.000 0.262 0.000 0.877 134 D CB 0.374 41.271 40.800 0.162 0.000 1.176 134 D HN 0.689 nan 8.370 nan 0.000 0.461 135 Y N 4.658 124.868 120.300 -0.149 0.000 2.207 135 Y HA -0.175 4.372 4.550 -0.005 0.000 0.287 135 Y C 1.703 177.389 175.900 -0.357 0.000 1.156 135 Y CA 1.712 59.409 58.100 -0.672 0.000 1.182 135 Y CB 0.237 38.342 38.460 -0.592 0.000 0.979 135 Y HN 0.393 nan 8.280 nan 0.000 0.521 136 K N -0.825 119.448 120.400 -0.210 0.000 2.393 136 K HA 0.045 4.361 4.320 -0.005 0.000 0.193 136 K C -0.363 176.145 176.600 -0.154 0.000 1.026 136 K CA 0.672 56.811 56.287 -0.247 0.000 1.064 136 K CB 0.414 32.859 32.500 -0.091 0.000 0.833 136 K HN 0.088 nan 8.250 nan 0.000 0.521 137 D N 0.011 120.356 120.400 -0.091 0.000 2.319 137 D HA 0.016 4.653 4.640 -0.005 0.000 0.237 137 D C 0.349 176.639 176.300 -0.016 0.000 1.353 137 D CA -0.243 53.729 54.000 -0.046 0.000 0.992 137 D CB 1.020 41.815 40.800 -0.009 0.000 1.368 137 D HN -0.031 nan 8.370 nan 0.000 0.564 138 S N 0.928 116.608 115.700 -0.032 0.000 2.595 138 S HA -0.092 4.375 4.470 -0.005 0.000 0.235 138 S C 1.500 176.112 174.600 0.020 0.000 0.974 138 S CA 0.759 58.962 58.200 0.004 0.000 0.942 138 S CB -0.073 63.123 63.200 -0.007 0.000 0.766 138 S HN 0.374 nan 8.310 nan 0.000 0.536 139 T N 1.497 116.058 114.554 0.013 0.000 2.812 139 T HA 0.062 4.408 4.350 -0.005 0.000 0.264 139 T C 0.836 175.555 174.700 0.032 0.000 1.042 139 T CA 0.816 62.927 62.100 0.018 0.000 1.140 139 T CB -0.150 68.723 68.868 0.010 0.000 0.870 139 T HN 0.402 nan 8.240 nan 0.000 0.445 140 K N 1.517 121.941 120.400 0.040 0.000 2.250 140 K HA 0.240 4.556 4.320 -0.005 0.000 0.285 140 K C -0.919 175.728 176.600 0.078 0.000 1.097 140 K CA -0.273 56.046 56.287 0.055 0.000 0.913 140 K CB 0.037 32.572 32.500 0.057 0.000 1.179 140 K HN 0.225 nan 8.250 nan 0.000 0.462 141 c N 3.644 122.286 118.600 0.071 0.000 2.660 141 c HA 0.155 4.722 4.570 -0.005 0.000 0.265 141 c C 0.069 174.203 174.090 0.075 0.000 1.573 141 c CA -0.761 55.619 56.329 0.084 0.000 1.751 141 c CB -0.848 41.705 42.510 0.072 0.000 3.033 141 c HN 0.777 nan 8.230 nan 0.000 0.511 142 D N -0.351 120.092 120.400 0.072 0.000 2.696 142 D HA 0.185 4.821 4.640 -0.005 0.000 0.269 142 D C -0.282 176.054 176.300 0.060 0.000 1.319 142 D CA -0.219 53.815 54.000 0.057 0.000 0.826 142 D CB -0.017 40.808 40.800 0.042 0.000 1.086 142 D HN 0.200 nan 8.370 nan 0.000 0.481 143 L N 1.429 122.704 121.223 0.086 0.000 2.261 143 L HA 0.567 4.904 4.340 -0.005 0.000 0.289 143 L C 0.619 177.527 176.870 0.063 0.000 1.059 143 L CA -0.351 54.536 54.840 0.080 0.000 0.816 143 L CB 1.350 43.488 42.059 0.131 0.000 1.191 143 L HN 0.139 nan 8.230 nan 0.000 0.431 144 A N 2.509 125.347 122.820 0.029 0.000 2.264 144 A HA 0.433 4.750 4.320 -0.005 0.000 0.304 144 A C 1.002 178.571 177.584 -0.024 0.000 1.100 144 A CA -0.500 51.546 52.037 0.016 0.000 0.839 144 A CB 0.508 19.515 19.000 0.011 0.000 1.121 144 A HN 0.730 nan 8.150 nan 0.000 0.496 145 L N 0.015 121.210 121.223 -0.048 0.000 1.989 145 L HA -0.071 4.265 4.340 -0.005 0.000 0.211 145 L C 0.470 177.284 176.870 -0.092 0.000 1.071 145 L CA 2.216 56.960 54.840 -0.161 0.000 0.749 145 L CB -0.188 41.737 42.059 -0.224 0.000 0.890 145 L HN 0.715 nan 8.230 nan 0.000 0.431 146 D N -0.966 119.421 120.400 -0.021 0.000 2.392 146 D HA 0.276 4.913 4.640 -0.005 0.000 0.228 146 D C -2.001 174.297 176.300 -0.003 0.000 1.074 146 D CA -2.149 51.852 54.000 0.000 0.000 0.838 146 D CB 1.595 42.417 40.800 0.037 0.000 1.067 146 D HN 0.157 nan 8.370 nan 0.000 0.511 147 P HA 0.181 nan 4.420 nan 0.000 0.281 147 P C 0.647 177.913 177.300 -0.057 0.000 1.291 147 P CA 0.102 63.186 63.100 -0.025 0.000 0.906 147 P CB 1.170 32.863 31.700 -0.012 0.000 1.388 148 E N 0.733 120.897 120.200 -0.060 0.000 2.031 148 E HA -0.099 4.248 4.350 -0.005 0.000 0.193 148 E C 1.995 178.488 176.600 -0.178 0.000 0.994 148 E CA 1.358 57.706 56.400 -0.086 0.000 0.800 148 E CB -0.882 28.790 29.700 -0.046 0.000 0.752 148 E HN 0.234 nan 8.360 nan 0.000 0.447 149 I N 0.784 121.232 120.570 -0.204 0.000 2.252 149 I HA -0.211 3.955 4.170 -0.005 0.000 0.245 149 I C 2.121 178.057 176.117 -0.301 0.000 1.102 149 I CA 1.094 62.199 61.300 -0.326 0.000 1.385 149 I CB -0.277 37.561 38.000 -0.271 0.000 1.064 149 I HN 0.098 nan 8.210 nan 0.000 0.414 150 E N 0.628 120.693 120.200 -0.225 0.000 2.153 150 E HA -0.275 4.072 4.350 -0.005 0.000 0.194 150 E C 2.024 178.550 176.600 -0.123 0.000 0.988 150 E CA 1.122 57.422 56.400 -0.168 0.000 0.811 150 E CB -0.050 29.596 29.700 -0.089 0.000 0.746 150 E HN 0.488 nan 8.360 nan 0.000 0.466 151 E N 0.547 120.675 120.200 -0.120 0.000 2.051 151 E HA -0.183 4.163 4.350 -0.005 0.000 0.192 151 E C 2.082 178.617 176.600 -0.108 0.000 0.991 151 E CA 1.316 57.661 56.400 -0.092 0.000 0.799 151 E CB 0.161 29.814 29.700 -0.078 0.000 0.748 151 E HN 0.020 nan 8.360 nan 0.000 0.449 152 V N 1.484 121.287 119.914 -0.185 0.000 2.295 152 V HA -0.258 3.859 4.120 -0.005 0.000 0.246 152 V C 2.418 178.443 176.094 -0.115 0.000 1.049 152 V CA 1.337 63.524 62.300 -0.188 0.000 1.024 152 V CB -0.436 31.134 31.823 -0.422 0.000 0.648 152 V HN 0.398 nan 8.190 nan 0.000 0.447 153 I N 1.398 121.887 120.570 -0.136 0.000 2.264 153 I HA -0.212 3.955 4.170 -0.005 0.000 0.248 153 I C 2.659 178.753 176.117 -0.039 0.000 1.111 153 I CA 2.354 63.612 61.300 -0.069 0.000 1.382 153 I CB -1.360 36.574 38.000 -0.109 0.000 1.060 153 I HN 0.573 nan 8.210 nan 0.000 0.418 154 S N -0.057 115.617 115.700 -0.043 0.000 2.446 154 S HA -0.051 4.416 4.470 -0.005 0.000 0.225 154 S C 1.898 176.494 174.600 -0.006 0.000 1.016 154 S CA 0.457 58.649 58.200 -0.012 0.000 0.943 154 S CB 0.030 63.226 63.200 -0.007 0.000 0.786 154 S HN 0.414 nan 8.310 nan 0.000 0.508 155 K N 0.899 121.291 120.400 -0.014 0.000 2.329 155 K HA 0.285 4.601 4.320 -0.005 0.000 0.198 155 K C 0.805 177.413 176.600 0.013 0.000 1.085 155 K CA 0.249 56.535 56.287 -0.002 0.000 0.961 155 K CB 0.201 32.696 32.500 -0.008 0.000 0.971 155 K HN 0.271 nan 8.250 nan 0.000 0.502 156 S N 1.171 116.881 115.700 0.017 0.000 2.549 156 S HA 0.069 4.535 4.470 -0.005 0.000 0.283 156 S C 0.462 175.110 174.600 0.080 0.000 1.320 156 S CA -0.299 57.929 58.200 0.047 0.000 1.058 156 S CB 0.426 63.657 63.200 0.052 0.000 0.882 156 S HN 0.127 nan 8.310 nan 0.000 0.498 157 R N 2.820 123.389 120.500 0.115 0.000 2.652 157 R HA 0.233 4.569 4.340 -0.005 0.000 0.372 157 R C -0.729 175.745 176.300 0.290 0.000 1.104 157 R CA -0.324 55.905 56.100 0.214 0.000 1.072 157 R CB -0.444 29.953 30.300 0.161 0.000 1.367 157 R HN 0.573 nan 8.270 nan 0.000 0.577 158 D N 1.579 122.088 120.400 0.182 0.000 2.443 158 D HA 0.011 4.648 4.640 -0.005 0.000 0.221 158 D C 1.436 177.766 176.300 0.050 0.000 1.097 158 D CA -0.262 53.803 54.000 0.109 0.000 0.865 158 D CB 0.612 41.432 40.800 0.034 0.000 1.034 158 D HN 0.309 nan 8.370 nan 0.000 0.511 159 H N 2.798 121.942 119.070 0.122 0.000 2.421 159 H HA -0.047 4.506 4.556 -0.005 0.000 0.298 159 H C 0.578 175.949 175.328 0.073 0.000 1.087 159 H CA 0.865 56.911 56.048 -0.004 0.000 1.330 159 H CB 0.205 29.884 29.762 -0.139 0.000 1.388 159 H HN 0.495 nan 8.280 nan 0.000 0.526 160 E N 0.835 120.814 120.200 -0.368 0.000 2.158 160 E HA -0.121 4.226 4.350 -0.005 0.000 0.191 160 E C 2.194 178.630 176.600 -0.273 0.000 0.982 160 E CA 0.582 56.860 56.400 -0.204 0.000 0.823 160 E CB 0.146 29.731 29.700 -0.191 0.000 0.766 160 E HN 0.670 nan 8.360 nan 0.000 0.468 161 E N 1.302 121.260 120.200 -0.404 0.000 2.047 161 E HA -0.183 4.164 4.350 -0.005 0.000 0.191 161 E C 2.196 178.717 176.600 -0.132 0.000 0.987 161 E CA 0.692 56.681 56.400 -0.685 0.000 0.799 161 E CB -0.009 29.465 29.700 -0.376 0.000 0.752 161 E HN 0.152 nan 8.360 nan 0.000 0.449 162 L N 0.612 121.869 121.223 0.056 0.000 2.042 162 L HA -0.214 4.123 4.340 -0.005 0.000 0.210 162 L C 2.718 179.749 176.870 0.267 0.000 1.076 162 L CA 1.301 56.270 54.840 0.216 0.000 0.749 162 L CB -0.534 41.632 42.059 0.178 0.000 0.893 162 L HN 0.243 nan 8.230 nan 0.000 0.432 163 A N -0.802 122.123 122.820 0.175 0.000 1.933 163 A HA -0.278 4.039 4.320 -0.005 0.000 0.218 163 A C 2.202 179.813 177.584 0.045 0.000 1.175 163 A CA 1.600 53.597 52.037 -0.067 0.000 0.628 163 A CB -0.876 17.990 19.000 -0.224 0.000 0.814 163 A HN 0.508 nan 8.150 nan 0.000 0.444 164 Y N -0.889 119.343 120.300 -0.113 0.000 2.114 164 Y HA -0.281 4.265 4.550 -0.005 0.000 0.284 164 Y C 2.148 177.999 175.900 -0.081 0.000 1.143 164 Y CA 2.144 60.155 58.100 -0.149 0.000 1.135 164 Y CB -0.531 37.720 38.460 -0.348 0.000 0.980 164 Y HN 0.343 nan 8.280 nan 0.000 0.499 165 Y N -1.535 118.798 120.300 0.055 0.000 2.293 165 Y HA -0.219 4.328 4.550 -0.005 0.000 0.291 165 Y C 2.307 178.248 175.900 0.067 0.000 1.137 165 Y CA 1.482 59.585 58.100 0.005 0.000 1.202 165 Y CB -1.101 37.413 38.460 0.091 0.000 0.990 165 Y HN 0.401 nan 8.280 nan 0.000 0.537 166 W N 0.942 122.304 121.300 0.103 0.000 2.354 166 W HA -0.211 4.446 4.660 -0.005 0.000 0.315 166 W C 2.769 179.369 176.519 0.136 0.000 1.206 166 W CA 2.180 59.599 57.345 0.123 0.000 1.290 166 W CB -0.256 29.183 29.460 -0.035 0.000 1.152 166 W HN -0.170 nan 8.180 nan 0.000 0.489 167 R N 0.317 121.059 120.500 0.404 0.000 2.081 167 R HA -0.171 4.166 4.340 -0.005 0.000 0.235 167 R C 2.064 178.378 176.300 0.023 0.000 1.131 167 R CA 1.749 58.004 56.100 0.257 0.000 0.960 167 R CB -0.448 29.939 30.300 0.145 0.000 0.856 167 R HN 0.142 nan 8.270 nan 0.000 0.436 168 E N 0.019 120.145 120.200 -0.124 0.000 2.051 168 E HA -0.208 4.139 4.350 -0.005 0.000 0.192 168 E C 1.707 178.285 176.600 -0.036 0.000 0.991 168 E CA 1.054 57.361 56.400 -0.156 0.000 0.799 168 E CB -0.454 29.039 29.700 -0.345 0.000 0.748 168 E HN 0.290 nan 8.360 nan 0.000 0.449 169 F N 0.527 120.408 119.950 -0.115 0.000 2.113 169 F HA -0.223 4.301 4.527 -0.005 0.000 0.297 169 F C 2.152 177.829 175.800 -0.204 0.000 1.103 169 F CA 1.286 59.192 58.000 -0.156 0.000 1.248 169 F CB -0.468 38.417 39.000 -0.192 0.000 0.999 169 F HN -0.034 nan 8.300 nan 0.000 0.475 170 Y N 0.752 120.801 120.300 -0.418 0.000 2.242 170 Y HA -0.204 4.343 4.550 -0.005 0.000 0.291 170 Y C 2.333 178.043 175.900 -0.318 0.000 1.137 170 Y CA 1.711 59.514 58.100 -0.494 0.000 1.181 170 Y CB -0.798 37.209 38.460 -0.755 0.000 0.989 170 Y HN 0.063 nan 8.280 nan 0.000 0.527 171 D N -0.255 120.103 120.400 -0.070 0.000 2.144 171 D HA -0.133 4.504 4.640 -0.005 0.000 0.199 171 D C 1.837 178.077 176.300 -0.099 0.000 0.984 171 D CA 1.402 55.378 54.000 -0.040 0.000 0.834 171 D CB -0.093 40.700 40.800 -0.012 0.000 0.955 171 D HN 0.337 nan 8.370 nan 0.000 0.465 172 K N -0.107 120.176 120.400 -0.196 0.000 2.128 172 K HA 0.207 4.523 4.320 -0.005 0.000 0.202 172 K C 1.962 178.398 176.600 -0.274 0.000 1.050 172 K CA 0.727 56.895 56.287 -0.198 0.000 0.966 172 K CB 0.248 32.639 32.500 -0.182 0.000 0.759 172 K HN -0.017 nan 8.250 nan 0.000 0.454 173 A N 0.788 123.291 122.820 -0.528 0.000 1.984 173 A HA 0.118 4.435 4.320 -0.005 0.000 0.214 173 A C 2.017 179.448 177.584 -0.256 0.000 1.173 173 A CA 1.312 53.052 52.037 -0.496 0.000 0.673 173 A CB -0.364 17.996 19.000 -1.068 0.000 0.830 173 A HN 0.357 nan 8.150 nan 0.000 0.453 174 G N -1.102 107.530 108.800 -0.280 0.000 2.726 174 G HA2 0.090 4.046 3.960 -0.005 0.000 0.221 174 G HA3 0.090 4.046 3.960 -0.005 0.000 0.221 174 G C 1.442 176.345 174.900 0.006 0.000 1.327 174 G CA 1.178 46.175 45.100 -0.171 0.000 0.884 174 G HN 0.295 nan 8.290 nan 0.000 0.581 175 T N 2.239 116.820 114.554 0.045 0.000 2.737 175 T HA -0.094 4.253 4.350 -0.005 0.000 0.269 175 T C 2.636 177.401 174.700 0.108 0.000 1.040 175 T CA 1.649 63.832 62.100 0.138 0.000 1.142 175 T CB -0.404 68.530 68.868 0.110 0.000 0.861 175 T HN 0.369 nan 8.240 nan 0.000 0.456 176 A N 1.158 124.007 122.820 0.048 0.000 2.125 176 A HA 0.031 4.348 4.320 -0.005 0.000 0.219 176 A C 2.127 179.751 177.584 0.066 0.000 1.156 176 A CA 1.388 53.449 52.037 0.040 0.000 0.671 176 A CB -0.568 18.435 19.000 0.005 0.000 0.794 176 A HN 0.576 nan 8.150 nan 0.000 0.459 177 V N -3.595 116.382 119.914 0.105 0.000 3.006 177 V HA 0.306 4.423 4.120 -0.005 0.000 0.357 177 V C 1.432 177.650 176.094 0.207 0.000 1.377 177 V CA 0.296 62.681 62.300 0.142 0.000 1.198 177 V CB -0.562 31.350 31.823 0.147 0.000 1.216 177 V HN 0.506 nan 8.190 nan 0.000 0.520 178 R N 2.262 122.853 120.500 0.151 0.000 2.080 178 R HA -0.177 4.160 4.340 -0.005 0.000 0.236 178 R C 2.434 178.731 176.300 -0.005 0.000 1.137 178 R CA 2.555 58.639 56.100 -0.026 0.000 0.943 178 R CB -0.428 29.770 30.300 -0.171 0.000 0.846 178 R HN 0.771 nan 8.270 nan 0.000 0.431 179 S N 0.101 115.806 115.700 0.009 0.000 2.382 179 S HA -0.181 4.285 4.470 -0.005 0.000 0.228 179 S C 1.908 176.551 174.600 0.071 0.000 1.027 179 S CA 1.191 59.397 58.200 0.010 0.000 0.991 179 S CB -0.251 62.947 63.200 -0.002 0.000 0.823 179 S HN 0.394 nan 8.310 nan 0.000 0.469 180 Q N 0.347 120.214 119.800 0.112 0.000 2.079 180 Q HA 0.157 4.493 4.340 -0.005 0.000 0.200 180 Q C 1.793 177.922 176.000 0.215 0.000 0.974 180 Q CA 1.458 57.338 55.803 0.130 0.000 0.840 180 Q CB -0.592 28.215 28.738 0.116 0.000 0.898 180 Q HN 0.656 nan 8.270 nan 0.000 0.430 181 F N 1.355 121.405 119.950 0.166 0.000 2.171 181 F HA -0.174 4.350 4.527 -0.005 0.000 0.300 181 F C 1.770 177.800 175.800 0.382 0.000 1.090 181 F CA 1.404 59.597 58.000 0.321 0.000 1.293 181 F CB 0.116 39.367 39.000 0.418 0.000 1.013 181 F HN 0.086 nan 8.300 nan 0.000 0.486 182 E N -0.431 119.993 120.200 0.373 0.000 2.085 182 E HA -0.284 4.063 4.350 -0.005 0.000 0.194 182 E C 2.210 178.883 176.600 0.121 0.000 0.994 182 E CA 1.233 57.789 56.400 0.260 0.000 0.801 182 E CB -0.211 29.497 29.700 0.014 0.000 0.743 182 E HN 0.127 nan 8.360 nan 0.000 0.453 183 R N 0.483 121.029 120.500 0.077 0.000 2.092 183 R HA -0.180 4.157 4.340 -0.005 0.000 0.231 183 R C 2.129 178.431 176.300 0.003 0.000 1.119 183 R CA 1.396 57.511 56.100 0.026 0.000 0.970 183 R CB -0.783 29.530 30.300 0.021 0.000 0.864 183 R HN 0.327 nan 8.270 nan 0.000 0.440 184 Y N -0.182 120.047 120.300 -0.118 0.000 2.181 184 Y HA -0.164 4.383 4.550 -0.005 0.000 0.288 184 Y C 1.773 177.556 175.900 -0.194 0.000 1.146 184 Y CA 1.818 59.797 58.100 -0.200 0.000 1.164 184 Y CB -0.549 37.754 38.460 -0.261 0.000 0.982 184 Y HN -0.109 nan 8.280 nan 0.000 0.515 185 V N 1.161 120.780 119.914 -0.492 0.000 2.287 185 V HA -0.313 3.804 4.120 -0.005 0.000 0.248 185 V C 2.293 178.254 176.094 -0.223 0.000 1.053 185 V CA 2.357 64.424 62.300 -0.387 0.000 1.027 185 V CB -0.708 31.094 31.823 -0.034 0.000 0.646 185 V HN 0.462 nan 8.190 nan 0.000 0.447 186 E N -0.091 120.045 120.200 -0.107 0.000 2.058 186 E HA -0.221 4.126 4.350 -0.005 0.000 0.194 186 E C 2.203 178.721 176.600 -0.137 0.000 0.997 186 E CA 1.487 57.838 56.400 -0.081 0.000 0.801 186 E CB -0.211 29.465 29.700 -0.041 0.000 0.746 186 E HN 0.501 nan 8.360 nan 0.000 0.450 187 L N 1.171 122.289 121.223 -0.175 0.000 2.156 187 L HA -0.126 4.210 4.340 -0.005 0.000 0.208 187 L C 2.463 179.182 176.870 -0.252 0.000 1.095 187 L CA 0.498 55.228 54.840 -0.183 0.000 0.770 187 L CB -0.431 41.523 42.059 -0.175 0.000 0.914 187 L HN 0.216 nan 8.230 nan 0.000 0.439 188 N N 0.015 118.477 118.700 -0.398 0.000 2.120 188 N HA -0.170 4.567 4.740 -0.005 0.000 0.188 188 N C 1.612 176.895 175.510 -0.378 0.000 1.024 188 N CA 2.046 54.831 53.050 -0.442 0.000 0.852 188 N CB 0.064 38.047 38.487 -0.840 0.000 1.003 188 N HN 0.227 nan 8.380 nan 0.000 0.424 189 T N 0.956 115.304 114.554 -0.344 0.000 2.777 189 T HA -0.105 4.242 4.350 -0.005 0.000 0.266 189 T C 1.894 176.519 174.700 -0.125 0.000 1.040 189 T CA 1.140 63.104 62.100 -0.227 0.000 1.141 189 T CB -0.093 68.692 68.868 -0.138 0.000 0.868 189 T HN 0.351 nan 8.240 nan 0.000 0.444 190 K N 1.123 121.462 120.400 -0.101 0.000 2.063 190 K HA -0.058 4.259 4.320 -0.005 0.000 0.208 190 K C 2.488 179.074 176.600 -0.022 0.000 1.048 190 K CA 1.268 57.524 56.287 -0.052 0.000 0.928 190 K CB -0.324 32.148 32.500 -0.047 0.000 0.713 190 K HN 0.280 nan 8.250 nan 0.000 0.442 191 A N 0.969 123.783 122.820 -0.011 0.000 1.902 191 A HA -0.090 4.227 4.320 -0.005 0.000 0.217 191 A C 2.337 179.959 177.584 0.064 0.000 1.181 191 A CA 1.826 53.905 52.037 0.070 0.000 0.623 191 A CB -0.872 18.256 19.000 0.214 0.000 0.818 191 A HN 0.485 nan 8.150 nan 0.000 0.443 192 A N -0.062 122.764 122.820 0.010 0.000 1.883 192 A HA -0.199 4.118 4.320 -0.005 0.000 0.217 192 A C 2.126 179.768 177.584 0.097 0.000 1.186 192 A CA 1.910 53.979 52.037 0.054 0.000 0.624 192 A CB -0.467 18.487 19.000 -0.077 0.000 0.822 192 A HN 0.547 nan 8.150 nan 0.000 0.444 193 K N -0.551 119.864 120.400 0.025 0.000 2.097 193 K HA 0.034 4.351 4.320 -0.005 0.000 0.205 193 K C 1.786 178.385 176.600 -0.002 0.000 1.050 193 K CA 1.090 57.383 56.287 0.009 0.000 0.938 193 K CB -0.341 32.154 32.500 -0.009 0.000 0.718 193 K HN 0.446 nan 8.250 nan 0.000 0.442 194 L N 1.357 122.585 121.223 0.008 0.000 2.191 194 L HA -0.167 4.170 4.340 -0.005 0.000 0.212 194 L C 1.458 178.324 176.870 -0.007 0.000 1.103 194 L CA 0.850 55.691 54.840 0.002 0.000 0.769 194 L CB -0.227 41.841 42.059 0.015 0.000 0.908 194 L HN 0.239 nan 8.230 nan 0.000 0.438 195 N N 0.053 118.761 118.700 0.013 0.000 2.322 195 N HA -0.030 4.707 4.740 -0.005 0.000 0.194 195 N C 0.015 175.385 175.510 -0.233 0.000 1.126 195 N CA 0.127 53.156 53.050 -0.035 0.000 0.845 195 N CB 0.219 38.784 38.487 0.130 0.000 0.976 195 N HN 0.222 nan 8.380 nan 0.000 0.475 196 N N 0.032 118.638 118.700 -0.157 0.000 2.741 196 N HA -0.183 4.553 4.740 -0.005 0.000 0.251 196 N C -0.842 174.498 175.510 -0.283 0.000 1.112 196 N CA 0.717 53.646 53.050 -0.201 0.000 0.750 196 N CB -1.741 36.621 38.487 -0.209 0.000 1.119 196 N HN 0.197 nan 8.380 nan 0.000 0.561 197 F N 0.119 120.047 119.950 -0.037 0.000 2.370 197 F HA 0.250 4.774 4.527 -0.006 0.000 0.324 197 F C 2.342 178.108 175.800 -0.056 0.000 1.116 197 F CA -0.270 57.702 58.000 -0.047 0.000 1.123 197 F CB 0.543 39.504 39.000 -0.064 0.000 1.238 197 F HN -0.195 nan 8.300 nan 0.000 0.536 198 T N -0.294 114.350 114.554 0.151 0.000 2.821 198 T HA -0.040 4.306 4.350 -0.005 0.000 0.267 198 T C 0.532 175.245 174.700 0.023 0.000 1.046 198 T CA 1.549 63.683 62.100 0.056 0.000 1.139 198 T CB -0.207 68.683 68.868 0.037 0.000 0.871 198 T HN 0.640 nan 8.240 nan 0.000 0.454 199 S N -1.430 114.271 115.700 0.001 0.000 2.661 199 S HA 0.555 5.022 4.470 -0.005 0.000 0.268 199 S C 1.133 175.600 174.600 -0.221 0.000 1.162 199 S CA -0.224 57.921 58.200 -0.091 0.000 0.817 199 S CB 1.035 64.207 63.200 -0.047 0.000 1.141 199 S HN 0.095 nan 8.310 nan 0.000 0.477 200 G N 0.273 108.790 108.800 -0.472 0.000 2.509 200 G HA2 0.228 4.184 3.960 -0.005 0.000 0.218 200 G HA3 0.228 4.184 3.960 -0.005 0.000 0.218 200 G C 1.375 175.916 174.900 -0.599 0.000 1.124 200 G CA 0.939 45.538 45.100 -0.836 0.000 0.776 200 G HN 1.243 nan 8.290 nan 0.000 0.547 201 A N 1.193 123.912 122.820 -0.169 0.000 1.858 201 A HA -0.008 4.309 4.320 -0.005 0.000 0.216 201 A C 2.203 179.647 177.584 -0.233 0.000 1.190 201 A CA 2.036 54.013 52.037 -0.099 0.000 0.617 201 A CB -0.324 18.542 19.000 -0.224 0.000 0.827 201 A HN 0.314 nan 8.150 nan 0.000 0.443 202 E N 0.114 120.168 120.200 -0.242 0.000 2.150 202 E HA 0.028 4.375 4.350 -0.005 0.000 0.193 202 E C 2.168 178.443 176.600 -0.543 0.000 0.985 202 E CA 1.187 57.448 56.400 -0.232 0.000 0.814 202 E CB -0.492 29.190 29.700 -0.030 0.000 0.752 202 E HN 0.575 nan 8.360 nan 0.000 0.466 203 A N 0.383 122.754 122.820 -0.750 0.000 1.877 203 A HA -0.179 4.138 4.320 -0.005 0.000 0.216 203 A C 1.725 179.074 177.584 -0.391 0.000 1.186 203 A CA 1.268 52.667 52.037 -1.063 0.000 0.620 203 A CB -0.928 17.665 19.000 -0.677 0.000 0.822 203 A HN 0.312 nan 8.150 nan 0.000 0.443 204 W N -0.045 121.101 121.300 -0.256 0.000 2.358 204 W HA -0.052 4.605 4.660 -0.005 0.000 0.303 204 W C 2.046 178.565 176.519 0.000 0.000 1.208 204 W CA 0.854 58.170 57.345 -0.048 0.000 1.274 204 W CB -1.174 28.413 29.460 0.212 0.000 1.138 204 W HN 0.269 nan 8.180 nan 0.000 0.515 205 L N -0.261 121.089 121.223 0.211 0.000 2.291 205 L HA -0.176 4.161 4.340 -0.005 0.000 0.214 205 L C 2.012 178.953 176.870 0.118 0.000 1.120 205 L CA 1.456 56.434 54.840 0.231 0.000 0.799 205 L CB -0.756 41.343 42.059 0.066 0.000 0.925 205 L HN -0.118 nan 8.230 nan 0.000 0.446 206 D N 0.158 120.529 120.400 -0.050 0.000 2.182 206 D HA -0.228 4.409 4.640 -0.005 0.000 0.201 206 D C 1.970 178.235 176.300 -0.057 0.000 0.986 206 D CA 0.978 54.960 54.000 -0.029 0.000 0.847 206 D CB 0.189 40.927 40.800 -0.104 0.000 0.942 206 D HN 0.179 nan 8.370 nan 0.000 0.467 207 E N -0.721 119.374 120.200 -0.176 0.000 2.331 207 E HA -0.185 4.162 4.350 -0.005 0.000 0.199 207 E C 1.123 177.419 176.600 -0.506 0.000 1.008 207 E CA 0.720 56.901 56.400 -0.366 0.000 0.843 207 E CB -0.248 29.127 29.700 -0.541 0.000 0.761 207 E HN 0.635 nan 8.360 nan 0.000 0.507 208 Y N 0.274 120.446 120.300 -0.213 0.000 2.457 208 Y HA 0.146 4.693 4.550 -0.005 0.000 0.263 208 Y C 0.320 176.203 175.900 -0.029 0.000 1.164 208 Y CA -0.176 57.699 58.100 -0.374 0.000 1.274 208 Y CB 0.218 37.957 38.460 -1.201 0.000 1.097 208 Y HN -0.073 nan 8.280 nan 0.000 0.523 209 E N 1.576 121.842 120.200 0.110 0.000 2.228 209 E HA -0.259 4.087 4.350 -0.005 0.000 0.213 209 E C -0.992 175.709 176.600 0.169 0.000 1.282 209 E CA 0.817 57.294 56.400 0.128 0.000 0.707 209 E CB -0.987 28.769 29.700 0.093 0.000 1.150 209 E HN 0.292 nan 8.360 nan 0.000 0.362 210 D N 0.043 120.563 120.400 0.200 0.000 2.419 210 D HA 0.010 4.647 4.640 -0.005 0.000 0.219 210 D C 0.197 176.647 176.300 0.250 0.000 1.349 210 D CA -0.331 53.824 54.000 0.259 0.000 0.964 210 D CB 0.744 41.825 40.800 0.468 0.000 1.463 210 D HN 0.051 nan 8.370 nan 0.000 0.573 211 D N 1.282 121.790 120.400 0.181 0.000 2.350 211 D HA -0.125 4.512 4.640 -0.005 0.000 0.216 211 D C 1.137 177.533 176.300 0.159 0.000 0.968 211 D CA 0.787 54.878 54.000 0.151 0.000 0.894 211 D CB -0.237 40.627 40.800 0.108 0.000 0.909 211 D HN 0.342 nan 8.370 nan 0.000 0.520 212 T N -4.152 110.521 114.554 0.198 0.000 3.176 212 T HA 0.170 4.517 4.350 -0.005 0.000 0.263 212 T C 1.164 175.994 174.700 0.217 0.000 1.021 212 T CA -0.712 61.492 62.100 0.175 0.000 0.905 212 T CB -0.820 68.132 68.868 0.140 0.000 1.057 212 T HN -0.067 nan 8.240 nan 0.000 0.558 213 F N 2.535 122.552 119.950 0.111 0.000 2.134 213 F HA 0.054 4.578 4.527 -0.005 0.000 0.299 213 F C 2.138 177.977 175.800 0.065 0.000 1.097 213 F CA 1.377 59.434 58.000 0.095 0.000 1.264 213 F CB -0.099 38.953 39.000 0.086 0.000 1.001 213 F HN 0.239 nan 8.300 nan 0.000 0.479 214 E N -0.651 119.646 120.200 0.162 0.000 2.058 214 E HA -0.319 4.028 4.350 -0.005 0.000 0.194 214 E C 2.128 178.797 176.600 0.116 0.000 0.997 214 E CA 1.505 57.990 56.400 0.142 0.000 0.801 214 E CB -0.272 29.489 29.700 0.102 0.000 0.746 214 E HN 0.283 nan 8.360 nan 0.000 0.450 215 Q N 0.918 120.773 119.800 0.092 0.000 2.084 215 Q HA -0.196 4.141 4.340 -0.005 0.000 0.202 215 Q C 1.914 177.946 176.000 0.053 0.000 0.978 215 Q CA 1.657 57.513 55.803 0.089 0.000 0.844 215 Q CB -0.046 28.741 28.738 0.081 0.000 0.898 215 Q HN 0.286 nan 8.270 nan 0.000 0.426 216 Q N -0.573 119.221 119.800 -0.010 0.000 2.096 216 Q HA -0.164 4.173 4.340 -0.005 0.000 0.204 216 Q C 2.110 178.040 176.000 -0.117 0.000 0.982 216 Q CA 1.601 57.363 55.803 -0.068 0.000 0.850 216 Q CB -0.157 28.500 28.738 -0.134 0.000 0.901 216 Q HN 0.399 nan 8.270 nan 0.000 0.422 217 L N 0.455 121.556 121.223 -0.203 0.000 2.072 217 L HA -0.168 4.169 4.340 -0.005 0.000 0.205 217 L C 2.374 179.275 176.870 0.052 0.000 1.079 217 L CA 0.761 55.471 54.840 -0.217 0.000 0.752 217 L CB -0.392 41.420 42.059 -0.411 0.000 0.906 217 L HN 0.182 nan 8.230 nan 0.000 0.436 218 E N 0.404 120.749 120.200 0.243 0.000 2.070 218 E HA -0.244 4.102 4.350 -0.005 0.000 0.197 218 E C 1.756 178.521 176.600 0.276 0.000 1.004 218 E CA 1.578 58.203 56.400 0.375 0.000 0.805 218 E CB -0.317 29.549 29.700 0.276 0.000 0.744 218 E HN 0.504 nan 8.360 nan 0.000 0.451 219 D N 0.514 121.006 120.400 0.152 0.000 2.097 219 D HA -0.096 4.541 4.640 -0.005 0.000 0.195 219 D C 2.169 178.522 176.300 0.088 0.000 0.989 219 D CA 0.699 54.762 54.000 0.105 0.000 0.827 219 D CB -0.347 40.493 40.800 0.066 0.000 0.966 219 D HN 0.190 nan 8.370 nan 0.000 0.456 220 I N -0.005 120.604 120.570 0.065 0.000 2.226 220 I HA -0.234 3.933 4.170 -0.005 0.000 0.245 220 I C 2.180 178.345 176.117 0.080 0.000 1.100 220 I CA 0.622 61.945 61.300 0.039 0.000 1.374 220 I CB -0.193 37.797 38.000 -0.015 0.000 1.057 220 I HN -0.094 nan 8.210 nan 0.000 0.413 221 F N 1.894 121.846 119.950 0.003 0.000 2.134 221 F HA -0.235 4.289 4.527 -0.006 0.000 0.299 221 F C 2.455 178.315 175.800 0.099 0.000 1.097 221 F CA 1.368 59.404 58.000 0.060 0.000 1.264 221 F CB -0.349 38.766 39.000 0.191 0.000 1.001 221 F HN 0.007 nan 8.300 nan 0.000 0.479 222 A N -0.169 122.703 122.820 0.085 0.000 1.972 222 A HA -0.190 4.127 4.320 -0.005 0.000 0.219 222 A C 1.950 179.484 177.584 -0.082 0.000 1.169 222 A CA 1.953 53.980 52.037 -0.016 0.000 0.635 222 A CB -0.890 18.159 19.000 0.081 0.000 0.810 222 A HN 0.445 nan 8.150 nan 0.000 0.446 223 D N -0.107 120.263 120.400 -0.050 0.000 2.149 223 D HA -0.079 4.558 4.640 -0.005 0.000 0.201 223 D C 1.690 177.943 176.300 -0.079 0.000 0.972 223 D CA 0.905 54.878 54.000 -0.045 0.000 0.835 223 D CB -0.129 40.663 40.800 -0.013 0.000 0.966 223 D HN 0.380 nan 8.370 nan 0.000 0.476 224 I N 0.326 120.816 120.570 -0.135 0.000 3.030 224 I HA 0.009 4.176 4.170 -0.005 0.000 0.270 224 I C 2.299 178.301 176.117 -0.193 0.000 1.211 224 I CA 0.242 61.457 61.300 -0.142 0.000 1.479 224 I CB -0.686 37.239 38.000 -0.126 0.000 1.105 224 I HN -0.048 nan 8.210 nan 0.000 0.447 225 R N 1.584 121.872 120.500 -0.353 0.000 2.096 225 R HA -0.178 4.158 4.340 -0.005 0.000 0.240 225 R C -0.465 175.797 176.300 -0.064 0.000 1.139 225 R CA 2.069 57.969 56.100 -0.333 0.000 0.952 225 R CB -1.011 29.015 30.300 -0.458 0.000 0.854 225 R HN 0.212 nan 8.270 nan 0.000 0.436 226 P HA -0.151 nan 4.420 nan 0.000 0.218 226 P C 1.110 178.416 177.300 0.010 0.000 1.149 226 P CA 0.823 63.910 63.100 -0.022 0.000 0.817 226 P CB -0.045 31.635 31.700 -0.033 0.000 0.785 227 L N -1.451 119.776 121.223 0.007 0.000 2.093 227 L HA -0.157 4.180 4.340 -0.005 0.000 0.208 227 L C 2.322 179.219 176.870 0.045 0.000 1.085 227 L CA 1.741 56.592 54.840 0.019 0.000 0.755 227 L CB -1.554 40.499 42.059 -0.010 0.000 0.904 227 L HN -0.078 nan 8.230 nan 0.000 0.435 228 Y N 0.127 120.402 120.300 -0.041 0.000 2.181 228 Y HA -0.262 4.285 4.550 -0.005 0.000 0.288 228 Y C 2.486 178.476 175.900 0.149 0.000 1.146 228 Y CA 2.022 60.129 58.100 0.012 0.000 1.164 228 Y CB -0.243 38.219 38.460 0.005 0.000 0.982 228 Y HN 0.352 nan 8.280 nan 0.000 0.515 229 Q N 0.002 119.836 119.800 0.057 0.000 2.135 229 Q HA -0.225 4.112 4.340 -0.005 0.000 0.204 229 Q C 2.032 178.078 176.000 0.076 0.000 0.981 229 Q CA 1.588 57.429 55.803 0.064 0.000 0.856 229 Q CB -0.441 28.327 28.738 0.051 0.000 0.902 229 Q HN 0.611 nan 8.270 nan 0.000 0.425 230 Q N 0.309 120.146 119.800 0.061 0.000 2.079 230 Q HA -0.026 4.311 4.340 -0.005 0.000 0.200 230 Q C 2.325 178.436 176.000 0.185 0.000 0.974 230 Q CA 0.838 56.702 55.803 0.102 0.000 0.840 230 Q CB -0.226 28.555 28.738 0.073 0.000 0.898 230 Q HN 0.439 nan 8.270 nan 0.000 0.430 231 I N 0.455 121.106 120.570 0.135 0.000 2.179 231 I HA -0.287 3.880 4.170 -0.005 0.000 0.242 231 I C 2.666 178.960 176.117 0.294 0.000 1.088 231 I CA 1.218 62.647 61.300 0.215 0.000 1.357 231 I CB -0.506 37.488 38.000 -0.010 0.000 1.051 231 I HN 0.308 nan 8.210 nan 0.000 0.409 232 H N 1.315 120.374 119.070 -0.018 0.000 2.319 232 H HA -0.178 4.374 4.556 -0.005 0.000 0.297 232 H C 2.154 177.595 175.328 0.189 0.000 1.097 232 H CA 2.197 58.299 56.048 0.089 0.000 1.285 232 H CB -0.414 29.254 29.762 -0.157 0.000 1.368 232 H HN 0.348 nan 8.280 nan 0.000 0.495 233 G N -0.604 108.434 108.800 0.397 0.000 2.446 233 G HA2 -0.332 3.625 3.960 -0.005 0.000 0.217 233 G HA3 -0.332 3.625 3.960 -0.005 0.000 0.217 233 G C 1.831 176.909 174.900 0.296 0.000 1.168 233 G CA 0.877 46.179 45.100 0.337 0.000 0.771 233 G HN 0.565 nan 8.290 nan 0.000 0.551 234 Y N 0.791 121.225 120.300 0.224 0.000 2.181 234 Y HA -0.101 4.446 4.550 -0.005 0.000 0.288 234 Y C 2.903 178.986 175.900 0.304 0.000 1.146 234 Y CA 1.528 59.793 58.100 0.276 0.000 1.164 234 Y CB -0.081 38.547 38.460 0.281 0.000 0.982 234 Y HN 0.046 nan 8.280 nan 0.000 0.515 235 V N 0.865 120.973 119.914 0.324 0.000 2.343 235 V HA -0.316 3.801 4.120 -0.005 0.000 0.247 235 V C 2.477 178.527 176.094 -0.073 0.000 1.051 235 V CA 2.283 64.674 62.300 0.152 0.000 1.036 235 V CB -0.722 31.233 31.823 0.220 0.000 0.654 235 V HN 0.375 nan 8.190 nan 0.000 0.451 236 R N -0.421 120.020 120.500 -0.098 0.000 2.091 236 R HA -0.233 4.104 4.340 -0.005 0.000 0.238 236 R C 2.295 178.578 176.300 -0.030 0.000 1.136 236 R CA 2.216 58.247 56.100 -0.115 0.000 0.959 236 R CB -0.496 29.749 30.300 -0.091 0.000 0.856 236 R HN 0.480 nan 8.270 nan 0.000 0.437 237 F N 1.594 121.470 119.950 -0.123 0.000 2.095 237 F HA -0.183 4.341 4.527 -0.005 0.000 0.298 237 F C 2.065 177.746 175.800 -0.198 0.000 1.104 237 F CA 1.532 59.443 58.000 -0.149 0.000 1.232 237 F CB -0.148 38.746 39.000 -0.176 0.000 0.987 237 F HN -0.065 nan 8.300 nan 0.000 0.475 238 R N 0.637 120.811 120.500 -0.544 0.000 2.090 238 R HA -0.029 4.308 4.340 -0.005 0.000 0.228 238 R C 2.383 178.487 176.300 -0.327 0.000 1.110 238 R CA 1.275 57.020 56.100 -0.592 0.000 0.973 238 R CB -1.149 28.886 30.300 -0.442 0.000 0.869 238 R HN 0.410 nan 8.270 nan 0.000 0.440 239 L N 0.172 121.276 121.223 -0.199 0.000 2.141 239 L HA -0.103 4.234 4.340 -0.005 0.000 0.209 239 L C 2.588 179.452 176.870 -0.010 0.000 1.094 239 L CA 1.172 55.980 54.840 -0.053 0.000 0.763 239 L CB -0.325 41.694 42.059 -0.067 0.000 0.908 239 L HN 0.108 nan 8.230 nan 0.000 0.437 240 R N 0.324 120.758 120.500 -0.110 0.000 2.096 240 R HA -0.173 4.164 4.340 -0.005 0.000 0.235 240 R C 2.232 178.455 176.300 -0.128 0.000 1.127 240 R CA 1.358 57.400 56.100 -0.096 0.000 0.968 240 R CB -0.184 30.062 30.300 -0.090 0.000 0.861 240 R HN 0.329 nan 8.270 nan 0.000 0.440 241 K N -1.169 119.090 120.400 -0.235 0.000 2.217 241 K HA -0.155 4.162 4.320 -0.005 0.000 0.202 241 K C 1.812 178.313 176.600 -0.165 0.000 1.051 241 K CA 1.211 57.361 56.287 -0.230 0.000 0.952 241 K CB -0.092 32.196 32.500 -0.354 0.000 0.736 241 K HN 0.287 nan 8.250 nan 0.000 0.453 242 H N -1.042 117.884 119.070 -0.241 0.000 2.329 242 H HA -0.010 4.543 4.556 -0.005 0.000 0.306 242 H C 1.131 176.243 175.328 -0.360 0.000 1.062 242 H CA 1.510 57.365 56.048 -0.321 0.000 1.364 242 H CB 0.255 29.770 29.762 -0.411 0.000 1.409 242 H HN 0.112 nan 8.280 nan 0.000 0.519 243 Y N -0.229 120.040 120.300 -0.052 0.000 2.509 243 Y HA 0.284 4.830 4.550 -0.005 0.000 0.270 243 Y C 1.254 177.055 175.900 -0.164 0.000 1.103 243 Y CA 0.578 58.607 58.100 -0.119 0.000 1.278 243 Y CB 0.640 39.022 38.460 -0.131 0.000 1.087 243 Y HN 0.479 nan 8.280 nan 0.000 0.542 244 G N 0.449 109.241 108.800 -0.013 0.000 2.699 244 G HA2 -0.245 3.712 3.960 -0.005 0.000 0.686 244 G HA3 -0.245 3.712 3.960 -0.005 0.000 0.686 244 G C -0.401 174.468 174.900 -0.052 0.000 1.301 244 G CA -0.225 44.845 45.100 -0.050 0.000 0.816 244 G HN 0.181 nan 8.290 nan 0.000 0.595 245 D N 0.294 120.662 120.400 -0.053 0.000 2.348 245 D HA 0.262 4.899 4.640 -0.005 0.000 0.216 245 D C 2.546 178.808 176.300 -0.063 0.000 0.970 245 D CA 1.740 55.708 54.000 -0.053 0.000 0.889 245 D CB -0.060 40.717 40.800 -0.039 0.000 0.912 245 D HN 0.870 nan 8.370 nan 0.000 0.524 246 A N -0.084 122.694 122.820 -0.070 0.000 1.969 246 A HA -0.082 4.235 4.320 -0.005 0.000 0.218 246 A C 2.180 179.694 177.584 -0.117 0.000 1.169 246 A CA 0.937 52.927 52.037 -0.077 0.000 0.635 246 A CB -0.205 18.757 19.000 -0.063 0.000 0.810 246 A HN 0.173 nan 8.150 nan 0.000 0.445 247 V N -1.079 118.737 119.914 -0.163 0.000 2.575 247 V HA 0.046 4.163 4.120 -0.005 0.000 0.242 247 V C 0.392 176.366 176.094 -0.199 0.000 1.045 247 V CA 0.911 63.063 62.300 -0.246 0.000 1.065 247 V CB 0.283 31.855 31.823 -0.417 0.000 0.717 247 V HN 0.196 nan 8.190 nan 0.000 0.467 248 V N 1.354 121.180 119.914 -0.146 0.000 2.443 248 V HA 0.485 4.602 4.120 -0.005 0.000 0.293 248 V C -0.006 176.039 176.094 -0.081 0.000 1.021 248 V CA -0.534 61.690 62.300 -0.127 0.000 0.848 248 V CB 1.580 33.330 31.823 -0.122 0.000 0.998 248 V HN 0.416 nan 8.190 nan 0.000 0.424 249 S N 2.482 118.141 115.700 -0.068 0.000 2.601 249 S HA 0.297 4.763 4.470 -0.005 0.000 0.271 249 S C 0.928 175.520 174.600 -0.015 0.000 1.305 249 S CA -0.046 58.130 58.200 -0.041 0.000 1.022 249 S CB 1.633 64.811 63.200 -0.036 0.000 0.940 249 S HN 0.851 nan 8.310 nan 0.000 0.525 250 E N 0.848 121.038 120.200 -0.016 0.000 2.106 250 E HA -0.134 4.213 4.350 -0.005 0.000 0.192 250 E C 1.354 177.953 176.600 -0.002 0.000 0.984 250 E CA 1.618 58.020 56.400 0.003 0.000 0.806 250 E CB -0.191 29.490 29.700 -0.031 0.000 0.750 250 E HN 0.934 nan 8.360 nan 0.000 0.458 251 T N -3.134 111.387 114.554 -0.056 0.000 3.010 251 T HA 0.324 4.671 4.350 -0.005 0.000 0.257 251 T C 0.690 175.466 174.700 0.127 0.000 1.020 251 T CA -0.030 62.018 62.100 -0.085 0.000 0.938 251 T CB 0.916 69.650 68.868 -0.222 0.000 1.049 251 T HN 0.119 nan 8.240 nan 0.000 0.522 252 G N 2.104 110.971 108.800 0.111 0.000 2.511 252 G HA2 0.625 4.582 3.960 -0.005 0.000 0.316 252 G HA3 0.625 4.582 3.960 -0.005 0.000 0.316 252 G C -2.974 172.027 174.900 0.168 0.000 1.210 252 G CA -1.948 43.234 45.100 0.137 0.000 0.969 252 G HN 0.062 nan 8.290 nan 0.000 0.492 253 P HA 0.133 nan 4.420 nan 0.000 0.269 253 P C -0.063 177.191 177.300 -0.076 0.000 1.215 253 P CA -0.071 63.003 63.100 -0.043 0.000 0.780 253 P CB 0.647 32.279 31.700 -0.112 0.000 0.898 254 I N 3.957 124.449 120.570 -0.129 0.000 2.533 254 I HA 0.084 4.251 4.170 -0.005 0.000 0.284 254 I C -1.899 174.088 176.117 -0.218 0.000 1.109 254 I CA -1.977 59.186 61.300 -0.228 0.000 1.412 254 I CB 0.170 37.932 38.000 -0.396 0.000 1.396 254 I HN 0.143 nan 8.210 nan 0.000 0.543 255 P HA -0.034 nan 4.420 nan 0.000 0.260 255 P C 0.797 177.987 177.300 -0.182 0.000 1.207 255 P CA 0.097 63.082 63.100 -0.192 0.000 0.780 255 P CB 0.445 32.065 31.700 -0.134 0.000 0.789 256 M N 3.727 123.230 119.600 -0.162 0.000 2.374 256 M HA -0.137 4.340 4.480 -0.005 0.000 0.264 256 M C 1.355 177.627 176.300 -0.048 0.000 1.067 256 M CA 1.477 56.720 55.300 -0.096 0.000 1.103 256 M CB -0.823 31.799 32.600 0.038 0.000 1.402 256 M HN 0.321 nan 8.290 nan 0.000 0.444 257 H N 1.185 120.090 119.070 -0.276 0.000 2.559 257 H HA 0.104 4.657 4.556 -0.005 0.000 0.273 257 H C 1.305 176.540 175.328 -0.157 0.000 1.000 257 H CA 0.639 56.595 56.048 -0.154 0.000 1.195 257 H CB -0.877 28.759 29.762 -0.210 0.000 1.368 257 H HN 0.541 nan 8.280 nan 0.000 0.592 258 L N 0.431 121.322 121.223 -0.554 0.000 2.607 258 L HA 0.186 4.523 4.340 -0.005 0.000 0.228 258 L C 1.463 178.140 176.870 -0.322 0.000 1.123 258 L CA 0.015 54.533 54.840 -0.537 0.000 0.890 258 L CB 0.185 41.805 42.059 -0.732 0.000 1.103 258 L HN 0.115 nan 8.230 nan 0.000 0.468 259 L N 0.033 121.081 121.223 -0.291 0.000 2.628 259 L HA 0.309 4.646 4.340 -0.005 0.000 0.229 259 L C 1.373 178.192 176.870 -0.085 0.000 1.137 259 L CA 0.309 54.948 54.840 -0.334 0.000 0.909 259 L CB 0.036 41.709 42.059 -0.644 0.000 1.137 259 L HN 0.398 nan 8.230 nan 0.000 0.470 260 G N 0.719 109.495 108.800 -0.039 0.000 2.143 260 G HA2 -0.295 3.661 3.960 -0.005 0.000 0.249 260 G HA3 -0.295 3.661 3.960 -0.005 0.000 0.249 260 G C -0.024 174.908 174.900 0.054 0.000 0.981 260 G CA 0.181 45.292 45.100 0.019 0.000 0.665 260 G HN 0.452 nan 8.290 nan 0.000 0.528 261 N N -1.006 117.732 118.700 0.062 0.000 2.371 261 N HA 0.366 5.103 4.740 -0.005 0.000 0.280 261 N C 1.036 176.537 175.510 -0.014 0.000 1.084 261 N CA -0.265 52.828 53.050 0.072 0.000 0.892 261 N CB 1.360 39.973 38.487 0.210 0.000 1.653 261 N HN -0.019 nan 8.380 nan 0.000 0.480 262 M N 2.430 121.824 119.600 -0.343 0.000 2.267 262 M HA 0.092 4.569 4.480 -0.005 0.000 0.263 262 M C 0.480 176.500 176.300 -0.466 0.000 1.063 262 M CA 1.677 56.555 55.300 -0.703 0.000 1.090 262 M CB -0.096 31.482 32.600 -1.704 0.000 1.392 262 M HN 0.621 nan 8.290 nan 0.000 0.422 263 W N -1.076 120.404 121.300 0.300 0.000 2.870 263 W HA 0.575 5.232 4.660 -0.005 0.000 0.358 263 W C 1.042 177.712 176.519 0.252 0.000 1.043 263 W CA 0.182 57.745 57.345 0.364 0.000 1.692 263 W CB -0.840 28.775 29.460 0.257 0.000 1.100 263 W HN 0.352 nan 8.180 nan 0.000 0.557 264 A N 2.026 125.068 122.820 0.369 0.000 2.832 264 A HA -0.353 3.964 4.320 -0.005 0.000 0.280 264 A C 1.659 179.441 177.584 0.331 0.000 1.464 264 A CA 2.034 54.314 52.037 0.406 0.000 0.804 264 A CB -2.076 17.177 19.000 0.422 0.000 1.020 264 A HN 0.602 nan 8.150 nan 0.000 0.563 265 Q N -1.470 118.295 119.800 -0.058 0.000 2.331 265 Q HA 0.127 4.464 4.340 -0.005 0.000 0.203 265 Q C 0.764 176.734 176.000 -0.049 0.000 0.944 265 Q CA 1.205 56.709 55.803 -0.499 0.000 0.892 265 Q CB 0.185 28.223 28.738 -1.168 0.000 0.983 265 Q HN 0.820 nan 8.270 nan 0.000 0.482 266 Q N -0.897 118.974 119.800 0.118 0.000 2.315 266 Q HA 0.185 4.522 4.340 -0.005 0.000 0.273 266 Q C -1.338 174.879 176.000 0.361 0.000 1.053 266 Q CA -0.635 55.242 55.803 0.124 0.000 0.817 266 Q CB 1.460 30.277 28.738 0.132 0.000 1.326 266 Q HN 0.336 nan 8.270 nan 0.000 0.423 267 W N 0.644 121.990 121.300 0.076 0.000 3.005 267 W HA 0.105 4.763 4.660 -0.005 0.000 0.374 267 W C 1.486 178.041 176.519 0.060 0.000 1.076 267 W CA -0.186 57.195 57.345 0.059 0.000 1.794 267 W CB -0.327 29.163 29.460 0.050 0.000 1.113 267 W HN 0.638 nan 8.180 nan 0.000 0.584 268 S N -0.225 115.624 115.700 0.250 0.000 2.469 268 S HA -0.174 4.293 4.470 -0.005 0.000 0.238 268 S C 1.330 176.028 174.600 0.162 0.000 0.998 268 S CA 1.140 59.454 58.200 0.189 0.000 0.957 268 S CB -0.109 63.187 63.200 0.160 0.000 0.764 268 S HN 0.105 nan 8.310 nan 0.000 0.514 269 E N 1.686 121.974 120.200 0.147 0.000 2.347 269 E HA 0.015 4.362 4.350 -0.005 0.000 0.196 269 E C 1.735 178.379 176.600 0.073 0.000 1.008 269 E CA 0.889 57.347 56.400 0.095 0.000 0.852 269 E CB -0.325 29.420 29.700 0.074 0.000 0.783 269 E HN 0.959 nan 8.360 nan 0.000 0.505 270 I N -3.429 117.196 120.570 0.092 0.000 3.904 270 I HA 0.361 4.528 4.170 -0.005 0.000 0.333 270 I C 1.787 177.959 176.117 0.093 0.000 1.361 270 I CA -0.027 61.300 61.300 0.046 0.000 1.116 270 I CB 0.317 38.314 38.000 -0.005 0.000 1.028 270 I HN -0.224 nan 8.210 nan 0.000 0.398 271 A N 2.633 125.541 122.820 0.147 0.000 1.940 271 A HA -0.267 4.050 4.320 -0.005 0.000 0.219 271 A C 2.089 179.759 177.584 0.144 0.000 1.176 271 A CA 2.206 54.364 52.037 0.202 0.000 0.631 271 A CB -0.749 18.376 19.000 0.209 0.000 0.814 271 A HN 0.751 nan 8.150 nan 0.000 0.446 272 D N 0.601 121.051 120.400 0.083 0.000 2.264 272 D HA -0.145 4.492 4.640 -0.005 0.000 0.208 272 D C 1.568 177.878 176.300 0.017 0.000 0.966 272 D CA 1.479 55.511 54.000 0.052 0.000 0.864 272 D CB -0.472 40.347 40.800 0.032 0.000 0.933 272 D HN 0.735 nan 8.370 nan 0.000 0.499 273 I N -1.667 118.889 120.570 -0.023 0.000 4.070 273 I HA 0.106 4.273 4.170 -0.005 0.000 0.328 273 I C 1.521 177.607 176.117 -0.051 0.000 1.298 273 I CA -0.138 61.110 61.300 -0.088 0.000 1.173 273 I CB 0.649 38.462 38.000 -0.313 0.000 1.051 273 I HN -0.051 nan 8.210 nan 0.000 0.409 274 V N -1.052 118.889 119.914 0.045 0.000 3.477 274 V HA 0.321 4.438 4.120 -0.005 0.000 0.297 274 V C 0.935 177.130 176.094 0.169 0.000 1.433 274 V CA 0.144 62.510 62.300 0.110 0.000 1.052 274 V CB -0.746 31.220 31.823 0.238 0.000 0.895 274 V HN 0.397 nan 8.190 nan 0.000 0.438 275 S N 0.968 116.743 115.700 0.124 0.000 2.549 275 S HA 0.336 4.803 4.470 -0.005 0.000 0.283 275 S C -1.175 173.383 174.600 -0.070 0.000 1.320 275 S CA -0.316 57.916 58.200 0.054 0.000 1.058 275 S CB 0.911 64.179 63.200 0.114 0.000 0.882 275 S HN 0.276 nan 8.310 nan 0.000 0.498 276 P HA -0.040 nan 4.420 nan 0.000 0.216 276 P C -0.242 176.683 177.300 -0.626 0.000 1.150 276 P CA 1.311 64.113 63.100 -0.496 0.000 0.843 276 P CB -0.036 31.098 31.700 -0.944 0.000 0.787 277 F N -2.677 117.254 119.950 -0.032 0.000 2.564 277 F HA 0.339 4.863 4.527 -0.005 0.000 0.368 277 F C -1.915 173.892 175.800 0.011 0.000 1.127 277 F CA -2.220 55.781 58.000 0.001 0.000 1.170 277 F CB 1.320 40.292 39.000 -0.047 0.000 1.397 277 F HN -0.112 nan 8.300 nan 0.000 0.493 278 P HA -0.101 nan 4.420 nan 0.000 0.226 278 P C 0.854 178.210 177.300 0.092 0.000 1.153 278 P CA 1.256 64.414 63.100 0.097 0.000 0.777 278 P CB 0.297 32.035 31.700 0.064 0.000 0.794 279 E N -1.108 119.157 120.200 0.109 0.000 2.474 279 E HA 0.033 4.380 4.350 -0.005 0.000 0.194 279 E C 0.407 177.035 176.600 0.047 0.000 1.041 279 E CA 0.349 56.792 56.400 0.071 0.000 0.874 279 E CB 0.171 29.912 29.700 0.068 0.000 0.914 279 E HN 0.200 nan 8.360 nan 0.000 0.498 280 K N 1.500 121.939 120.400 0.065 0.000 2.123 280 K HA 0.328 4.645 4.320 -0.005 0.000 0.248 280 K C -2.441 174.174 176.600 0.026 0.000 0.969 280 K CA -2.451 53.838 56.287 0.004 0.000 0.882 280 K CB 0.669 33.143 32.500 -0.043 0.000 1.080 280 K HN -0.111 nan 8.250 nan 0.000 0.441 281 P HA 0.090 nan 4.420 nan 0.000 0.268 281 P C -0.706 176.686 177.300 0.153 0.000 1.205 281 P CA -0.435 62.700 63.100 0.059 0.000 0.771 281 P CB 0.567 32.272 31.700 0.008 0.000 0.858 282 L N 4.613 125.935 121.223 0.165 0.000 2.349 282 L HA 0.270 4.607 4.340 -0.005 0.000 0.278 282 L C -0.595 176.373 176.870 0.163 0.000 0.996 282 L CA -0.849 54.096 54.840 0.175 0.000 0.825 282 L CB 1.887 44.031 42.059 0.141 0.000 1.243 282 L HN 0.060 nan 8.230 nan 0.000 0.412 283 V N 4.593 124.604 119.914 0.162 0.000 2.450 283 V HA 0.257 4.374 4.120 -0.005 0.000 0.281 283 V C -0.257 175.882 176.094 0.076 0.000 1.019 283 V CA 0.092 62.446 62.300 0.090 0.000 1.062 283 V CB 0.573 32.413 31.823 0.028 0.000 0.979 283 V HN 0.748 nan 8.190 nan 0.000 0.477 284 D N 4.107 124.533 120.400 0.044 0.000 2.319 284 D HA 0.164 4.801 4.640 -0.005 0.000 0.237 284 D C 0.216 176.502 176.300 -0.023 0.000 1.353 284 D CA -0.376 53.634 54.000 0.017 0.000 0.992 284 D CB 1.926 42.745 40.800 0.031 0.000 1.368 284 D HN 0.352 nan 8.370 nan 0.000 0.564 285 V N 1.261 121.137 119.914 -0.064 0.000 3.633 285 V HA 0.169 4.286 4.120 -0.005 0.000 0.283 285 V C 1.592 177.599 176.094 -0.144 0.000 1.305 285 V CA 0.431 62.669 62.300 -0.103 0.000 1.153 285 V CB 0.091 31.839 31.823 -0.126 0.000 0.950 285 V HN 0.270 nan 8.190 nan 0.000 0.432 286 S N 1.951 117.578 115.700 -0.121 0.000 2.359 286 S HA -0.131 4.336 4.470 -0.005 0.000 0.224 286 S C 2.287 176.825 174.600 -0.104 0.000 1.035 286 S CA 1.934 60.061 58.200 -0.122 0.000 1.018 286 S CB -0.483 62.666 63.200 -0.085 0.000 0.876 286 S HN 0.941 nan 8.310 nan 0.000 0.448 287 A N 1.691 124.468 122.820 -0.071 0.000 1.902 287 A HA -0.130 4.187 4.320 -0.005 0.000 0.217 287 A C 2.105 179.651 177.584 -0.063 0.000 1.181 287 A CA 1.285 53.291 52.037 -0.051 0.000 0.623 287 A CB -0.436 18.547 19.000 -0.028 0.000 0.818 287 A HN 0.339 nan 8.150 nan 0.000 0.443 288 E N -0.408 119.740 120.200 -0.087 0.000 2.106 288 E HA -0.149 4.197 4.350 -0.005 0.000 0.192 288 E C 2.091 178.590 176.600 -0.169 0.000 0.984 288 E CA 1.141 57.482 56.400 -0.098 0.000 0.806 288 E CB -0.399 29.242 29.700 -0.098 0.000 0.750 288 E HN 0.723 nan 8.360 nan 0.000 0.458 289 M N 0.444 119.864 119.600 -0.300 0.000 2.065 289 M HA -0.208 4.269 4.480 -0.005 0.000 0.259 289 M C 2.140 178.342 176.300 -0.162 0.000 1.069 289 M CA 1.653 56.633 55.300 -0.533 0.000 1.110 289 M CB -0.333 31.946 32.600 -0.535 0.000 1.328 289 M HN 0.038 nan 8.290 nan 0.000 0.405 290 E N 0.067 120.220 120.200 -0.078 0.000 2.051 290 E HA -0.220 4.127 4.350 -0.005 0.000 0.192 290 E C 2.024 178.640 176.600 0.028 0.000 0.991 290 E CA 1.133 57.535 56.400 0.004 0.000 0.799 290 E CB -0.164 29.532 29.700 -0.006 0.000 0.748 290 E HN 0.380 nan 8.360 nan 0.000 0.449 291 K N 0.947 121.351 120.400 0.006 0.000 2.063 291 K HA -0.214 4.103 4.320 -0.005 0.000 0.208 291 K C 1.759 178.390 176.600 0.052 0.000 1.048 291 K CA 1.442 57.742 56.287 0.021 0.000 0.928 291 K CB 0.057 32.560 32.500 0.005 0.000 0.713 291 K HN 0.094 nan 8.250 nan 0.000 0.442 292 Q N -0.888 118.963 119.800 0.084 0.000 2.415 292 Q HA 0.071 4.408 4.340 -0.005 0.000 0.206 292 Q C 0.413 176.536 176.000 0.205 0.000 0.946 292 Q CA 0.405 56.302 55.803 0.157 0.000 0.951 292 Q CB 0.617 29.493 28.738 0.230 0.000 1.026 292 Q HN 0.615 nan 8.270 nan 0.000 0.510 293 G N 0.631 109.534 108.800 0.173 0.000 2.176 293 G HA2 -0.324 3.633 3.960 -0.005 0.000 0.252 293 G HA3 -0.324 3.633 3.960 -0.005 0.000 0.252 293 G C -0.307 174.700 174.900 0.179 0.000 1.024 293 G CA -0.255 44.928 45.100 0.138 0.000 0.755 293 G HN 0.426 nan 8.290 nan 0.000 0.507 294 Y N 1.122 121.436 120.300 0.024 0.000 2.702 294 Y HA 0.305 4.852 4.550 -0.005 0.000 0.336 294 Y C 1.674 177.601 175.900 0.046 0.000 1.235 294 Y CA 1.050 59.171 58.100 0.036 0.000 1.492 294 Y CB 0.677 39.156 38.460 0.030 0.000 1.308 294 Y HN 0.414 nan 8.280 nan 0.000 0.589 295 T N 0.028 114.669 114.554 0.145 0.000 2.907 295 T HA 0.330 4.676 4.350 -0.005 0.000 0.290 295 T C -2.288 172.520 174.700 0.181 0.000 1.066 295 T CA -2.285 59.896 62.100 0.135 0.000 1.012 295 T CB 1.919 70.838 68.868 0.086 0.000 1.184 295 T HN 0.175 nan 8.240 nan 0.000 0.522 296 P HA -0.076 nan 4.420 nan 0.000 0.216 296 P C 1.708 179.262 177.300 0.424 0.000 1.153 296 P CA 0.454 63.742 63.100 0.313 0.000 0.858 296 P CB -0.035 31.831 31.700 0.277 0.000 0.789 297 L N 0.046 121.440 121.223 0.285 0.000 2.012 297 L HA -0.189 4.147 4.340 -0.005 0.000 0.210 297 L C 2.292 179.324 176.870 0.270 0.000 1.073 297 L CA 2.093 57.105 54.840 0.287 0.000 0.748 297 L CB -1.159 40.977 42.059 0.129 0.000 0.891 297 L HN -0.229 nan 8.230 nan 0.000 0.431 298 K N -0.617 119.859 120.400 0.127 0.000 2.063 298 K HA -0.185 4.132 4.320 -0.005 0.000 0.208 298 K C 1.995 178.648 176.600 0.089 0.000 1.048 298 K CA 2.109 58.405 56.287 0.015 0.000 0.928 298 K CB -0.329 32.057 32.500 -0.191 0.000 0.713 298 K HN 0.367 nan 8.250 nan 0.000 0.442 299 M N -0.953 118.749 119.600 0.171 0.000 2.108 299 M HA -0.120 4.357 4.480 -0.005 0.000 0.261 299 M C 1.830 178.188 176.300 0.097 0.000 1.066 299 M CA 1.718 57.114 55.300 0.159 0.000 1.107 299 M CB -0.357 32.319 32.600 0.127 0.000 1.356 299 M HN 0.062 nan 8.290 nan 0.000 0.406 300 F N 0.384 120.472 119.950 0.230 0.000 2.186 300 F HA -0.190 4.333 4.527 -0.007 0.000 0.299 300 F C 2.577 178.609 175.800 0.387 0.000 1.090 300 F CA 1.373 59.550 58.000 0.295 0.000 1.307 300 F CB -0.452 38.813 39.000 0.442 0.000 1.019 300 F HN 0.172 nan 8.300 nan 0.000 0.489 301 Q N -0.437 119.689 119.800 0.543 0.000 2.124 301 Q HA -0.211 4.126 4.340 -0.005 0.000 0.202 301 Q C 2.228 178.388 176.000 0.266 0.000 0.977 301 Q CA 1.573 57.600 55.803 0.374 0.000 0.850 301 Q CB -0.258 28.556 28.738 0.127 0.000 0.901 301 Q HN 0.454 nan 8.270 nan 0.000 0.429 302 M N -0.337 119.391 119.600 0.214 0.000 2.117 302 M HA -0.114 4.363 4.480 -0.005 0.000 0.262 302 M C 2.184 178.655 176.300 0.284 0.000 1.065 302 M CA 1.542 56.983 55.300 0.237 0.000 1.114 302 M CB -0.410 32.336 32.600 0.242 0.000 1.361 302 M HN 0.364 nan 8.290 nan 0.000 0.408 303 G N -0.081 108.781 108.800 0.104 0.000 2.421 303 G HA2 -0.278 3.679 3.960 -0.005 0.000 0.216 303 G HA3 -0.278 3.679 3.960 -0.005 0.000 0.216 303 G C 1.088 176.134 174.900 0.242 0.000 1.171 303 G CA 1.411 46.446 45.100 -0.109 0.000 0.775 303 G HN 0.408 nan 8.290 nan 0.000 0.543 304 D N 0.680 121.232 120.400 0.253 0.000 2.123 304 D HA -0.146 4.490 4.640 -0.005 0.000 0.196 304 D C 2.033 178.510 176.300 0.295 0.000 0.992 304 D CA 1.445 55.607 54.000 0.270 0.000 0.833 304 D CB -0.413 40.583 40.800 0.327 0.000 0.954 304 D HN 0.268 nan 8.370 nan 0.000 0.455 305 D N -1.212 119.362 120.400 0.290 0.000 2.123 305 D HA -0.207 4.430 4.640 -0.005 0.000 0.196 305 D C 2.017 178.494 176.300 0.296 0.000 0.992 305 D CA 0.905 55.066 54.000 0.269 0.000 0.833 305 D CB -0.594 40.373 40.800 0.278 0.000 0.954 305 D HN 0.320 nan 8.370 nan 0.000 0.455 306 F N -0.682 119.421 119.950 0.256 0.000 2.102 306 F HA -0.141 4.382 4.527 -0.006 0.000 0.298 306 F C 1.953 177.698 175.800 -0.093 0.000 1.105 306 F CA 1.293 59.388 58.000 0.158 0.000 1.239 306 F CB -0.246 38.827 39.000 0.122 0.000 0.991 306 F HN -0.058 nan 8.300 nan 0.000 0.474 307 F N 0.431 120.527 119.950 0.245 0.000 2.102 307 F HA -0.244 4.279 4.527 -0.007 0.000 0.298 307 F C 2.850 178.638 175.800 -0.019 0.000 1.105 307 F CA 1.979 60.015 58.000 0.060 0.000 1.239 307 F CB -1.323 37.659 39.000 -0.031 0.000 0.991 307 F HN 0.028 nan 8.300 nan 0.000 0.474 308 T N -2.770 111.886 114.554 0.171 0.000 2.867 308 T HA -0.184 4.163 4.350 -0.005 0.000 0.268 308 T C 2.142 176.807 174.700 -0.058 0.000 1.057 308 T CA 1.176 63.308 62.100 0.054 0.000 1.136 308 T CB -0.992 67.914 68.868 0.063 0.000 0.874 308 T HN 0.321 nan 8.240 nan 0.000 0.466 309 S N 1.639 117.234 115.700 -0.174 0.000 2.442 309 S HA 0.004 4.471 4.470 -0.005 0.000 0.236 309 S C 1.877 176.264 174.600 -0.355 0.000 1.007 309 S CA 0.792 58.744 58.200 -0.413 0.000 0.965 309 S CB -0.822 61.738 63.200 -1.067 0.000 0.773 309 S HN 0.575 nan 8.310 nan 0.000 0.504 310 M N 1.004 120.465 119.600 -0.231 0.000 2.494 310 M HA 0.285 4.761 4.480 -0.005 0.000 0.232 310 M C 0.551 176.811 176.300 -0.065 0.000 1.137 310 M CA 0.039 55.255 55.300 -0.140 0.000 1.012 310 M CB -0.362 32.188 32.600 -0.083 0.000 1.567 310 M HN 0.343 nan 8.290 nan 0.000 0.486 311 N N 1.001 119.661 118.700 -0.067 0.000 2.776 311 N HA -0.143 4.594 4.740 -0.005 0.000 0.249 311 N C -1.054 174.441 175.510 -0.026 0.000 1.111 311 N CA 0.553 53.574 53.050 -0.049 0.000 0.711 311 N CB -1.218 37.233 38.487 -0.060 0.000 1.065 311 N HN 0.373 nan 8.380 nan 0.000 0.556 312 L N -0.981 120.253 121.223 0.019 0.000 2.492 312 L HA 0.510 4.847 4.340 -0.005 0.000 0.263 312 L C 0.922 177.807 176.870 0.026 0.000 1.062 312 L CA -0.824 54.046 54.840 0.049 0.000 0.817 312 L CB 0.610 42.756 42.059 0.145 0.000 1.441 312 L HN -0.011 nan 8.230 nan 0.000 0.493 313 T N 0.762 115.314 114.554 -0.003 0.000 2.794 313 T HA 0.117 4.464 4.350 -0.005 0.000 0.296 313 T C -0.024 174.645 174.700 -0.052 0.000 0.949 313 T CA -0.388 61.691 62.100 -0.034 0.000 1.101 313 T CB 0.731 69.570 68.868 -0.048 0.000 0.905 313 T HN 0.352 nan 8.240 nan 0.000 0.516 314 K N 3.568 123.959 120.400 -0.014 0.000 2.414 314 K HA 0.150 4.467 4.320 -0.005 0.000 0.272 314 K C -0.208 176.366 176.600 -0.043 0.000 0.993 314 K CA -0.466 55.826 56.287 0.009 0.000 0.964 314 K CB 0.313 32.845 32.500 0.054 0.000 0.925 314 K HN 0.522 nan 8.250 nan 0.000 0.487 315 L N 6.238 127.421 121.223 -0.068 0.000 2.455 315 L HA 0.136 4.473 4.340 -0.005 0.000 0.272 315 L C -1.610 175.253 176.870 -0.012 0.000 1.174 315 L CA -1.679 53.026 54.840 -0.224 0.000 0.869 315 L CB 0.329 42.029 42.059 -0.598 0.000 1.130 315 L HN 0.693 nan 8.230 nan 0.000 0.474 316 P HA 0.018 nan 4.420 nan 0.000 0.274 316 P C -0.125 177.274 177.300 0.164 0.000 1.246 316 P CA -0.473 62.670 63.100 0.072 0.000 0.795 316 P CB 0.896 32.620 31.700 0.039 0.000 1.006 317 Q N 0.657 120.572 119.800 0.191 0.000 2.170 317 Q HA -0.183 4.154 4.340 -0.005 0.000 0.203 317 Q C 1.371 177.473 176.000 0.170 0.000 0.976 317 Q CA 1.931 57.881 55.803 0.246 0.000 0.858 317 Q CB -0.984 27.842 28.738 0.147 0.000 0.907 317 Q HN 0.342 nan 8.270 nan 0.000 0.433 318 D N -0.915 119.528 120.400 0.072 0.000 2.149 318 D HA -0.169 4.468 4.640 -0.005 0.000 0.198 318 D C 1.440 177.709 176.300 -0.053 0.000 0.990 318 D CA 0.884 54.874 54.000 -0.017 0.000 0.839 318 D CB -0.318 40.446 40.800 -0.060 0.000 0.948 318 D HN 0.336 nan 8.370 nan 0.000 0.460 319 F N -0.407 119.431 119.950 -0.186 0.000 2.095 319 F HA -0.184 4.341 4.527 -0.004 0.000 0.298 319 F C 1.925 177.541 175.800 -0.307 0.000 1.104 319 F CA 1.557 59.364 58.000 -0.320 0.000 1.232 319 F CB -0.452 38.247 39.000 -0.503 0.000 0.987 319 F HN -0.002 nan 8.300 nan 0.000 0.475 320 W N 0.694 122.059 121.300 0.108 0.000 2.436 320 W HA -0.121 4.534 4.660 -0.009 0.000 0.284 320 W C 2.186 178.639 176.519 -0.109 0.000 1.225 320 W CA 0.669 58.016 57.345 0.002 0.000 1.271 320 W CB -0.396 29.122 29.460 0.095 0.000 1.114 320 W HN -0.047 nan 8.180 nan 0.000 0.559 321 D N -0.029 120.434 120.400 0.104 0.000 2.183 321 D HA -0.087 4.550 4.640 -0.005 0.000 0.203 321 D C 1.604 177.854 176.300 -0.084 0.000 0.969 321 D CA 1.319 55.325 54.000 0.010 0.000 0.842 321 D CB -0.167 40.630 40.800 -0.005 0.000 0.957 321 D HN 0.249 nan 8.370 nan 0.000 0.484 322 K N -0.214 120.073 120.400 -0.189 0.000 2.380 322 K HA 0.191 4.508 4.320 -0.005 0.000 0.198 322 K C 0.596 177.046 176.600 -0.250 0.000 1.070 322 K CA -0.105 56.032 56.287 -0.251 0.000 1.040 322 K CB 1.032 33.287 32.500 -0.408 0.000 0.903 322 K HN -0.145 nan 8.250 nan 0.000 0.549 323 S N 1.216 116.687 115.700 -0.381 0.000 2.584 323 S HA 0.224 4.691 4.470 -0.005 0.000 0.270 323 S C 0.186 174.709 174.600 -0.128 0.000 1.346 323 S CA -0.068 57.913 58.200 -0.365 0.000 1.018 323 S CB 0.607 63.242 63.200 -0.941 0.000 0.899 323 S HN 0.117 nan 8.310 nan 0.000 0.542 324 I N 2.637 123.200 120.570 -0.011 0.000 2.390 324 I HA 0.278 4.445 4.170 -0.005 0.000 0.283 324 I C 0.548 176.618 176.117 -0.079 0.000 1.016 324 I CA -0.122 61.156 61.300 -0.037 0.000 1.151 324 I CB 0.827 38.801 38.000 -0.043 0.000 1.293 324 I HN 0.641 nan 8.210 nan 0.000 0.458 325 I N 1.200 121.702 120.570 -0.114 0.000 4.082 325 I HA 0.462 4.629 4.170 -0.005 0.000 0.337 325 I C 0.083 176.234 176.117 0.056 0.000 1.352 325 I CA 0.037 61.278 61.300 -0.099 0.000 1.097 325 I CB 0.213 37.990 38.000 -0.371 0.000 1.048 325 I HN 0.379 nan 8.210 nan 0.000 0.393 326 E N 1.957 122.175 120.200 0.030 0.000 2.340 326 E HA 0.348 4.695 4.350 -0.005 0.000 0.273 326 E C -1.183 175.429 176.600 0.021 0.000 0.891 326 E CA -1.013 55.415 56.400 0.047 0.000 0.757 326 E CB 2.691 32.418 29.700 0.044 0.000 1.231 326 E HN 0.097 nan 8.360 nan 0.000 0.439 327 K N 2.885 123.299 120.400 0.024 0.000 2.447 327 K HA 0.135 4.452 4.320 -0.005 0.000 0.281 327 K C -2.265 174.333 176.600 -0.002 0.000 1.031 327 K CA -1.121 55.169 56.287 0.006 0.000 1.019 327 K CB 0.200 32.706 32.500 0.011 0.000 0.918 327 K HN 0.110 nan 8.250 nan 0.000 0.476 328 P HA -0.025 nan 4.420 nan 0.000 0.267 328 P C -0.113 177.181 177.300 -0.011 0.000 1.200 328 P CA -0.063 63.025 63.100 -0.020 0.000 0.772 328 P CB 0.776 32.454 31.700 -0.037 0.000 0.855 329 T N -2.939 111.612 114.554 -0.006 0.000 3.105 329 T HA 0.111 4.457 4.350 -0.005 0.000 0.253 329 T C 0.299 174.997 174.700 -0.003 0.000 1.047 329 T CA -0.405 61.694 62.100 -0.001 0.000 0.944 329 T CB -0.619 68.251 68.868 0.003 0.000 1.016 329 T HN 0.378 nan 8.240 nan 0.000 0.544 330 D N 1.081 121.477 120.400 -0.007 0.000 2.433 330 D HA 0.411 5.048 4.640 -0.005 0.000 0.255 330 D C 1.428 177.724 176.300 -0.007 0.000 1.226 330 D CA -0.641 53.355 54.000 -0.007 0.000 1.015 330 D CB -0.000 40.794 40.800 -0.010 0.000 1.091 330 D HN 0.039 nan 8.370 nan 0.000 0.527 331 G N -1.335 107.462 108.800 -0.005 0.000 3.061 331 G HA2 -0.069 3.888 3.960 -0.005 0.000 0.208 331 G HA3 -0.069 3.888 3.960 -0.005 0.000 0.208 331 G C 0.574 175.469 174.900 -0.008 0.000 1.175 331 G CA -0.325 44.773 45.100 -0.003 0.000 0.812 331 G HN 0.565 nan 8.290 nan 0.000 0.523 332 R N 0.317 120.807 120.500 -0.017 0.000 2.582 332 R HA 0.222 4.559 4.340 -0.005 0.000 0.271 332 R C -1.365 174.915 176.300 -0.033 0.000 1.078 332 R CA -0.451 55.633 56.100 -0.027 0.000 1.127 332 R CB 0.791 31.068 30.300 -0.038 0.000 1.038 332 R HN -0.115 nan 8.270 nan 0.000 0.500 333 D N 2.989 123.364 120.400 -0.041 0.000 2.255 333 D HA 0.392 5.029 4.640 -0.005 0.000 0.249 333 D C 0.070 176.316 176.300 -0.091 0.000 1.078 333 D CA -0.177 53.794 54.000 -0.049 0.000 0.896 333 D CB 1.574 42.351 40.800 -0.038 0.000 1.194 333 D HN 0.529 nan 8.370 nan 0.000 0.429 334 L N -2.302 118.871 121.223 -0.083 0.000 2.720 334 L HA 0.540 4.877 4.340 -0.005 0.000 0.261 334 L C -1.319 175.519 176.870 -0.054 0.000 1.046 334 L CA -1.117 53.650 54.840 -0.121 0.000 0.886 334 L CB 1.531 43.511 42.059 -0.132 0.000 1.493 334 L HN -0.023 nan 8.230 nan 0.000 0.407 335 V N 0.928 120.814 119.914 -0.047 0.000 2.372 335 V HA 0.096 4.213 4.120 -0.005 0.000 0.261 335 V C 0.884 177.006 176.094 0.048 0.000 1.055 335 V CA -0.092 62.248 62.300 0.067 0.000 0.930 335 V CB 0.540 32.444 31.823 0.135 0.000 1.031 335 V HN 0.989 nan 8.190 nan 0.000 0.479 336 c N 3.293 121.934 118.600 0.070 0.000 2.514 336 c HA 0.026 4.593 4.570 -0.005 0.000 0.271 336 c C 1.503 175.616 174.090 0.037 0.000 1.399 336 c CA 0.008 56.364 56.329 0.045 0.000 1.765 336 c CB -1.299 41.238 42.510 0.044 0.000 1.893 336 c HN 0.942 nan 8.230 nan 0.000 0.531 337 H N 0.957 119.976 119.070 -0.086 0.000 3.187 337 H HA 0.324 4.877 4.556 -0.005 0.000 0.286 337 H C 0.644 175.889 175.328 -0.137 0.000 0.944 337 H CA 0.472 56.372 56.048 -0.247 0.000 1.429 337 H CB 0.388 29.634 29.762 -0.860 0.000 1.483 337 H HN 0.470 nan 8.280 nan 0.000 0.555 338 A N 4.567 127.246 122.820 -0.235 0.000 2.540 338 A HA 0.392 4.709 4.320 -0.005 0.000 0.239 338 A C -0.055 177.642 177.584 0.188 0.000 1.061 338 A CA 0.506 52.560 52.037 0.029 0.000 0.758 338 A CB -0.063 18.955 19.000 0.031 0.000 0.991 338 A HN 0.876 nan 8.150 nan 0.000 0.502 339 S N 0.248 116.141 115.700 0.323 0.000 2.565 339 S HA 0.797 5.264 4.470 -0.005 0.000 0.269 339 S C -0.687 174.220 174.600 0.512 0.000 1.153 339 S CA -0.185 58.239 58.200 0.373 0.000 0.835 339 S CB 1.422 64.838 63.200 0.360 0.000 1.122 339 S HN 2.153 nan 8.310 nan 0.000 0.462 340 A N 0.800 123.848 122.820 0.381 0.000 2.350 340 A HA 0.809 5.126 4.320 -0.005 0.000 0.324 340 A C -1.786 176.063 177.584 0.441 0.000 1.118 340 A CA -0.717 51.637 52.037 0.529 0.000 0.783 340 A CB 0.576 19.836 19.000 0.432 0.000 1.236 340 A HN 0.749 nan 8.150 nan 0.000 0.457 341 W N 0.817 122.311 121.300 0.324 0.000 2.739 341 W HA 0.517 5.173 4.660 -0.007 0.000 0.331 341 W C -0.749 175.482 176.519 -0.481 0.000 1.049 341 W CA -0.262 57.029 57.345 -0.091 0.000 1.234 341 W CB 1.856 31.267 29.460 -0.081 0.000 1.404 341 W HN 0.652 nan 8.180 nan 0.000 0.477 342 D N 1.628 121.445 120.400 -0.971 0.000 2.217 342 D HA 0.324 4.960 4.640 -0.005 0.000 0.243 342 D C -0.337 175.313 176.300 -1.084 0.000 1.054 342 D CA -0.529 52.720 54.000 -1.251 0.000 0.838 342 D CB 1.050 40.662 40.800 -1.980 0.000 1.162 342 D HN 0.233 nan 8.370 nan 0.000 0.472 343 F N 2.192 121.845 119.950 -0.495 0.000 2.695 343 F HA 0.160 4.683 4.527 -0.007 0.000 0.303 343 F C 0.390 176.165 175.800 -0.042 0.000 1.091 343 F CA -0.403 57.471 58.000 -0.210 0.000 1.300 343 F CB -0.174 38.748 39.000 -0.130 0.000 1.071 343 F HN 0.405 nan 8.300 nan 0.000 0.578 344 Y N -1.184 119.176 120.300 0.100 0.000 4.177 344 Y HA -0.296 4.250 4.550 -0.006 0.000 0.227 344 Y C 0.712 176.681 175.900 0.115 0.000 1.154 344 Y CA -0.211 57.965 58.100 0.126 0.000 1.887 344 Y CB -2.264 36.312 38.460 0.194 0.000 1.594 344 Y HN 0.080 nan 8.280 nan 0.000 0.668 345 L N -1.439 119.892 121.223 0.181 0.000 2.665 345 L HA 0.557 4.894 4.340 -0.005 0.000 0.201 345 L C 0.731 177.665 176.870 0.105 0.000 1.805 345 L CA -0.451 54.464 54.840 0.124 0.000 3.015 345 L CB 0.375 42.482 42.059 0.081 0.000 2.866 345 L HN -0.068 nan 8.230 nan 0.000 0.765 346 T N -0.092 114.505 114.554 0.072 0.000 2.840 346 T HA 0.272 4.618 4.350 -0.005 0.000 0.287 346 T C -0.921 173.807 174.700 0.048 0.000 0.991 346 T CA -0.378 61.764 62.100 0.069 0.000 0.964 346 T CB 1.380 70.285 68.868 0.062 0.000 0.954 346 T HN 0.504 nan 8.240 nan 0.000 0.438 347 D N 0.928 121.360 120.400 0.053 0.000 3.079 347 D HA -0.130 4.507 4.640 -0.005 0.000 0.214 347 D C -0.159 176.156 176.300 0.025 0.000 1.145 347 D CA 1.124 55.148 54.000 0.040 0.000 0.958 347 D CB -0.584 40.236 40.800 0.033 0.000 1.117 347 D HN 0.580 nan 8.370 nan 0.000 0.416 348 D N 0.621 121.033 120.400 0.021 0.000 2.500 348 D HA 0.343 4.980 4.640 -0.005 0.000 0.219 348 D C -0.356 175.999 176.300 0.091 0.000 1.137 348 D CA -0.400 53.585 54.000 -0.024 0.000 0.946 348 D CB 0.328 41.068 40.800 -0.099 0.000 1.022 348 D HN 0.090 nan 8.370 nan 0.000 0.518 349 V N 0.996 120.976 119.914 0.110 0.000 2.789 349 V HA 0.768 4.885 4.120 -0.005 0.000 0.311 349 V C -0.410 175.828 176.094 0.241 0.000 1.073 349 V CA -0.975 61.472 62.300 0.245 0.000 0.921 349 V CB 2.153 34.149 31.823 0.287 0.000 1.009 349 V HN 0.250 nan 8.190 nan 0.000 0.426 350 R N 2.981 123.656 120.500 0.292 0.000 2.740 350 R HA 0.758 5.095 4.340 -0.005 0.000 0.273 350 R C -1.529 174.949 176.300 0.297 0.000 0.998 350 R CA -0.725 55.389 56.100 0.023 0.000 0.900 350 R CB 2.802 32.855 30.300 -0.410 0.000 1.223 350 R HN 0.785 nan 8.270 nan 0.000 0.466 351 I N 1.343 121.973 120.570 0.100 0.000 2.530 351 I HA 0.352 4.519 4.170 -0.005 0.000 0.297 351 I C -0.508 175.786 176.117 0.294 0.000 1.011 351 I CA -0.691 60.812 61.300 0.338 0.000 1.107 351 I CB 2.068 40.308 38.000 0.399 0.000 1.285 351 I HN 0.344 nan 8.210 nan 0.000 0.436 352 K N 6.255 126.891 120.400 0.394 0.000 2.507 352 K HA 0.444 4.761 4.320 -0.005 0.000 0.253 352 K C -1.178 175.536 176.600 0.189 0.000 0.969 352 K CA -0.471 55.930 56.287 0.189 0.000 0.908 352 K CB 1.111 33.600 32.500 -0.017 0.000 1.127 352 K HN 0.601 nan 8.250 nan 0.000 0.437 353 Q N 3.904 123.795 119.800 0.151 0.000 2.289 353 Q HA 0.300 4.637 4.340 -0.005 0.000 0.270 353 Q C -1.370 174.704 176.000 0.123 0.000 1.038 353 Q CA -0.833 55.076 55.803 0.176 0.000 0.812 353 Q CB 1.687 30.621 28.738 0.326 0.000 1.300 353 Q HN 0.769 nan 8.270 nan 0.000 0.427 354 c N 3.848 122.498 118.600 0.084 0.000 2.861 354 c HA 0.244 4.811 4.570 -0.005 0.000 0.542 354 c C 0.255 174.397 174.090 0.087 0.000 1.074 354 c CA -0.352 56.016 56.329 0.065 0.000 1.232 354 c CB -1.861 40.670 42.510 0.035 0.000 1.433 354 c HN 0.616 nan 8.230 nan 0.000 0.606 355 T N 2.862 117.499 114.554 0.139 0.000 2.902 355 T HA 0.163 4.510 4.350 -0.005 0.000 0.301 355 T C 0.452 175.218 174.700 0.110 0.000 1.012 355 T CA 0.432 62.630 62.100 0.163 0.000 1.151 355 T CB 0.515 69.560 68.868 0.296 0.000 0.946 355 T HN 0.604 nan 8.240 nan 0.000 0.542 356 R N 1.432 121.978 120.500 0.077 0.000 2.787 356 R HA 0.540 4.876 4.340 -0.005 0.000 0.271 356 R C -0.724 175.604 176.300 0.047 0.000 0.993 356 R CA -0.963 55.168 56.100 0.053 0.000 0.993 356 R CB 1.491 31.807 30.300 0.026 0.000 1.155 356 R HN 0.360 nan 8.270 nan 0.000 0.486 357 V N 2.526 122.465 119.914 0.042 0.000 2.223 357 V HA 0.162 4.279 4.120 -0.005 0.000 0.249 357 V C 0.101 176.180 176.094 -0.026 0.000 1.233 357 V CA -0.005 62.316 62.300 0.034 0.000 1.131 357 V CB -0.398 31.464 31.823 0.064 0.000 1.298 357 V HN 0.938 nan 8.190 nan 0.000 0.498 358 T N -0.361 114.157 114.554 -0.061 0.000 2.864 358 T HA 0.344 4.691 4.350 -0.005 0.000 0.299 358 T C 0.587 175.169 174.700 -0.198 0.000 1.166 358 T CA -0.481 61.553 62.100 -0.109 0.000 1.007 358 T CB 2.126 70.946 68.868 -0.080 0.000 1.219 358 T HN 0.266 nan 8.240 nan 0.000 0.506 359 Q N 0.284 119.932 119.800 -0.252 0.000 2.061 359 Q HA -0.194 4.143 4.340 -0.005 0.000 0.204 359 Q C 1.560 177.115 176.000 -0.742 0.000 0.984 359 Q CA 2.543 58.069 55.803 -0.461 0.000 0.846 359 Q CB -0.411 28.122 28.738 -0.341 0.000 0.902 359 Q HN 0.860 nan 8.270 nan 0.000 0.421 360 D N -0.724 119.436 120.400 -0.401 0.000 2.144 360 D HA -0.180 4.457 4.640 -0.005 0.000 0.199 360 D C 1.981 178.170 176.300 -0.186 0.000 0.984 360 D CA 1.047 54.899 54.000 -0.247 0.000 0.834 360 D CB 0.116 40.904 40.800 -0.020 0.000 0.955 360 D HN 0.245 nan 8.370 nan 0.000 0.465 361 Q N -0.331 119.377 119.800 -0.154 0.000 2.170 361 Q HA -0.112 4.224 4.340 -0.005 0.000 0.203 361 Q C 2.204 178.152 176.000 -0.088 0.000 0.976 361 Q CA 0.476 56.233 55.803 -0.076 0.000 0.858 361 Q CB -0.276 28.440 28.738 -0.037 0.000 0.907 361 Q HN 0.369 nan 8.270 nan 0.000 0.433 362 L N 0.005 121.114 121.223 -0.191 0.000 2.083 362 L HA -0.130 4.206 4.340 -0.005 0.000 0.209 362 L C 1.844 178.766 176.870 0.087 0.000 1.083 362 L CA 1.484 56.266 54.840 -0.096 0.000 0.752 362 L CB -0.484 41.465 42.059 -0.183 0.000 0.899 362 L HN -0.002 nan 8.230 nan 0.000 0.433 363 F N -0.502 119.448 119.950 -0.001 0.000 2.146 363 F HA -0.118 4.406 4.527 -0.006 0.000 0.298 363 F C 2.517 178.329 175.800 0.021 0.000 1.096 363 F CA 1.435 59.407 58.000 -0.046 0.000 1.275 363 F CB -1.929 37.010 39.000 -0.103 0.000 1.008 363 F HN 0.035 nan 8.300 nan 0.000 0.480 364 T N -0.039 114.623 114.554 0.180 0.000 2.788 364 T HA -0.117 4.230 4.350 -0.005 0.000 0.268 364 T C 2.368 177.144 174.700 0.127 0.000 1.044 364 T CA 1.224 63.403 62.100 0.131 0.000 1.139 364 T CB -0.664 68.240 68.868 0.060 0.000 0.867 364 T HN 0.047 nan 8.240 nan 0.000 0.454 365 V N 1.211 121.131 119.914 0.011 0.000 2.287 365 V HA -0.236 3.880 4.120 -0.005 0.000 0.248 365 V C 2.288 178.306 176.094 -0.128 0.000 1.053 365 V CA 1.899 64.062 62.300 -0.228 0.000 1.027 365 V CB -0.676 30.796 31.823 -0.585 0.000 0.646 365 V HN 0.554 nan 8.190 nan 0.000 0.447 366 H N -1.413 117.632 119.070 -0.042 0.000 2.423 366 H HA -0.151 4.402 4.556 -0.005 0.000 0.297 366 H C 2.217 177.544 175.328 -0.002 0.000 1.075 366 H CA 1.835 57.869 56.048 -0.023 0.000 1.342 366 H CB -0.318 29.370 29.762 -0.124 0.000 1.395 366 H HN 0.659 nan 8.280 nan 0.000 0.530 367 H N 0.785 119.890 119.070 0.057 0.000 2.293 367 H HA -0.098 4.456 4.556 -0.004 0.000 0.300 367 H C 1.846 177.159 175.328 -0.026 0.000 1.082 367 H CA 1.735 57.772 56.048 -0.018 0.000 1.308 367 H CB 0.293 30.064 29.762 0.015 0.000 1.375 367 H HN 0.211 nan 8.280 nan 0.000 0.495 368 E N 0.463 120.767 120.200 0.174 0.000 2.106 368 E HA -0.120 4.227 4.350 -0.005 0.000 0.192 368 E C 2.498 179.161 176.600 0.105 0.000 0.984 368 E CA 0.779 57.331 56.400 0.252 0.000 0.806 368 E CB -0.191 29.738 29.700 0.382 0.000 0.750 368 E HN 0.558 nan 8.360 nan 0.000 0.458 369 L N 0.236 121.475 121.223 0.026 0.000 2.291 369 L HA -0.026 4.311 4.340 -0.005 0.000 0.214 369 L C 2.389 179.060 176.870 -0.331 0.000 1.120 369 L CA 0.834 55.595 54.840 -0.131 0.000 0.799 369 L CB -0.523 41.486 42.059 -0.084 0.000 0.925 369 L HN 0.163 nan 8.230 nan 0.000 0.446 370 G N -1.025 107.678 108.800 -0.162 0.000 2.418 370 G HA2 -0.251 3.705 3.960 -0.005 0.000 0.217 370 G HA3 -0.251 3.705 3.960 -0.005 0.000 0.217 370 G C 1.361 176.050 174.900 -0.352 0.000 1.158 370 G CA 0.439 45.414 45.100 -0.207 0.000 0.771 370 G HN 0.339 nan 8.290 nan 0.000 0.545 371 H N 0.605 119.504 119.070 -0.285 0.000 2.293 371 H HA -0.036 4.516 4.556 -0.006 0.000 0.300 371 H C 2.807 177.598 175.328 -0.895 0.000 1.082 371 H CA 1.116 56.911 56.048 -0.423 0.000 1.308 371 H CB -0.280 29.270 29.762 -0.353 0.000 1.375 371 H HN 0.179 nan 8.280 nan 0.000 0.495 372 I N 1.008 121.314 120.570 -0.440 0.000 2.151 372 I HA -0.278 3.889 4.170 -0.005 0.000 0.243 372 I C 2.610 178.507 176.117 -0.366 0.000 1.080 372 I CA 1.304 62.425 61.300 -0.299 0.000 1.339 372 I CB -1.078 36.809 38.000 -0.188 0.000 1.039 372 I HN 0.223 nan 8.210 nan 0.000 0.409 373 Q N 0.421 119.902 119.800 -0.532 0.000 2.096 373 Q HA -0.240 4.097 4.340 -0.005 0.000 0.204 373 Q C 2.330 178.146 176.000 -0.307 0.000 0.982 373 Q CA 1.798 57.295 55.803 -0.511 0.000 0.850 373 Q CB -0.694 27.565 28.738 -0.799 0.000 0.901 373 Q HN 0.574 nan 8.270 nan 0.000 0.422 374 Y N -0.934 119.070 120.300 -0.494 0.000 2.128 374 Y HA -0.305 4.241 4.550 -0.007 0.000 0.284 374 Y C 1.643 177.032 175.900 -0.851 0.000 1.154 374 Y CA 0.883 58.635 58.100 -0.579 0.000 1.149 374 Y CB -0.068 37.953 38.460 -0.731 0.000 0.976 374 Y HN 0.167 nan 8.280 nan 0.000 0.505 375 F N 0.051 119.734 119.950 -0.445 0.000 2.091 375 F HA -0.316 4.207 4.527 -0.007 0.000 0.299 375 F C 2.172 177.744 175.800 -0.381 0.000 1.103 375 F CA 1.297 58.983 58.000 -0.525 0.000 1.228 375 F CB -1.348 37.562 39.000 -0.149 0.000 0.984 375 F HN 0.060 nan 8.300 nan 0.000 0.477 376 L N -0.854 120.349 121.223 -0.033 0.000 2.109 376 L HA -0.160 4.177 4.340 -0.005 0.000 0.207 376 L C 2.519 179.414 176.870 0.042 0.000 1.086 376 L CA 0.842 55.685 54.840 0.006 0.000 0.760 376 L CB -0.653 41.381 42.059 -0.042 0.000 0.910 376 L HN 0.112 nan 8.230 nan 0.000 0.437 377 Q N -0.115 119.682 119.800 -0.004 0.000 2.167 377 Q HA -0.159 4.178 4.340 -0.005 0.000 0.202 377 Q C 1.493 177.684 176.000 0.320 0.000 0.970 377 Q CA 1.316 57.199 55.803 0.134 0.000 0.855 377 Q CB 0.011 28.811 28.738 0.104 0.000 0.911 377 Q HN 0.726 nan 8.270 nan 0.000 0.438 378 Y N -0.688 119.790 120.300 0.296 0.000 2.584 378 Y HA 0.277 4.824 4.550 -0.006 0.000 0.254 378 Y C 1.557 177.523 175.900 0.110 0.000 1.177 378 Y CA -0.422 57.792 58.100 0.191 0.000 1.216 378 Y CB -0.847 37.686 38.460 0.121 0.000 1.172 378 Y HN 0.061 nan 8.280 nan 0.000 0.529 379 Q N 0.674 120.731 119.800 0.428 0.000 2.364 379 Q HA -0.191 4.146 4.340 -0.005 0.000 0.207 379 Q C 1.361 177.520 176.000 0.266 0.000 0.970 379 Q CA 1.719 57.721 55.803 0.333 0.000 0.888 379 Q CB -0.878 28.002 28.738 0.237 0.000 0.951 379 Q HN 0.725 nan 8.270 nan 0.000 0.469 380 H N -0.421 118.762 119.070 0.187 0.000 2.529 380 H HA 0.140 4.699 4.556 0.004 0.000 0.277 380 H C 0.184 175.595 175.328 0.138 0.000 0.999 380 H CA 0.074 56.207 56.048 0.142 0.000 1.256 380 H CB -0.054 29.783 29.762 0.124 0.000 1.402 380 H HN 0.174 nan 8.280 nan 0.000 0.566 381 Q N 2.658 122.241 119.800 -0.362 0.000 2.394 381 Q HA 0.201 4.538 4.340 -0.005 0.000 0.248 381 Q C -2.039 173.930 176.000 -0.052 0.000 0.992 381 Q CA -1.759 53.914 55.803 -0.216 0.000 0.888 381 Q CB 0.569 29.206 28.738 -0.168 0.000 1.257 381 Q HN 0.330 nan 8.270 nan 0.000 0.462 382 P HA -0.089 nan 4.420 nan 0.000 0.267 382 P C 0.531 177.764 177.300 -0.111 0.000 1.200 382 P CA 0.020 63.054 63.100 -0.110 0.000 0.772 382 P CB 0.340 31.883 31.700 -0.263 0.000 0.855 383 F N 3.833 123.669 119.950 -0.192 0.000 2.063 383 F HA -0.299 4.224 4.527 -0.007 0.000 0.298 383 F C 1.911 177.576 175.800 -0.225 0.000 1.105 383 F CA 2.661 60.550 58.000 -0.185 0.000 1.215 383 F CB -1.030 37.839 39.000 -0.218 0.000 0.972 383 F HN 0.130 nan 8.300 nan 0.000 0.483 384 V N -2.261 117.433 119.914 -0.365 0.000 2.720 384 V HA -0.254 3.863 4.120 -0.005 0.000 0.256 384 V C 1.661 177.570 176.094 -0.307 0.000 1.082 384 V CA 1.540 63.577 62.300 -0.439 0.000 1.101 384 V CB -1.559 30.044 31.823 -0.366 0.000 0.693 384 V HN 0.434 nan 8.190 nan 0.000 0.479 385 Y N 0.719 120.806 120.300 -0.355 0.000 2.457 385 Y HA 0.430 4.976 4.550 -0.007 0.000 0.263 385 Y C 1.662 177.239 175.900 -0.540 0.000 1.164 385 Y CA -0.868 57.018 58.100 -0.357 0.000 1.274 385 Y CB -0.309 37.999 38.460 -0.253 0.000 1.097 385 Y HN 0.286 nan 8.280 nan 0.000 0.523 386 R N 0.449 120.667 120.500 -0.470 0.000 4.496 386 R HA 0.256 4.593 4.340 -0.005 0.000 0.211 386 R C 0.049 175.802 176.300 -0.912 0.000 1.738 386 R CA 0.130 55.770 56.100 -0.767 0.000 1.528 386 R CB 0.004 30.191 30.300 -0.188 0.000 1.414 386 R HN -0.021 nan 8.270 nan 0.000 0.812 387 T N -1.486 112.422 114.554 -1.076 0.000 2.739 387 T HA 0.403 4.750 4.350 -0.005 0.000 0.303 387 T C -0.228 174.196 174.700 -0.460 0.000 1.389 387 T CA -0.442 61.351 62.100 -0.512 0.000 1.001 387 T CB 1.325 70.021 68.868 -0.287 0.000 1.436 387 T HN 0.434 nan 8.240 nan 0.000 0.500 388 G N 0.538 109.259 108.800 -0.132 0.000 2.614 388 G HA2 0.446 4.402 3.960 -0.005 0.000 0.239 388 G HA3 0.446 4.402 3.960 -0.005 0.000 0.239 388 G C 1.355 176.165 174.900 -0.150 0.000 1.240 388 G CA 0.225 45.194 45.100 -0.219 0.000 0.842 388 G HN 1.054 nan 8.290 nan 0.000 0.584 389 A N 1.759 124.522 122.820 -0.094 0.000 1.883 389 A HA -0.015 4.302 4.320 -0.005 0.000 0.217 389 A C 1.330 178.746 177.584 -0.280 0.000 1.186 389 A CA 2.102 53.970 52.037 -0.281 0.000 0.624 389 A CB -0.574 18.056 19.000 -0.617 0.000 0.822 389 A HN 1.062 nan 8.150 nan 0.000 0.444 390 N N -3.928 114.600 118.700 -0.288 0.000 2.647 390 N HA 0.465 5.202 4.740 -0.005 0.000 0.266 390 N C -2.905 172.576 175.510 -0.048 0.000 1.373 390 N CA -1.891 51.029 53.050 -0.217 0.000 0.807 390 N CB 0.628 38.926 38.487 -0.315 0.000 1.513 390 N HN -0.258 nan 8.380 nan 0.000 0.505 391 P HA 0.011 nan 4.420 nan 0.000 0.219 391 P C 1.246 178.617 177.300 0.119 0.000 1.146 391 P CA 1.805 64.865 63.100 -0.066 0.000 0.808 391 P CB -0.096 31.466 31.700 -0.231 0.000 0.779 392 G N -1.734 107.207 108.800 0.235 0.000 2.422 392 G HA2 -0.225 3.731 3.960 -0.005 0.000 0.218 392 G HA3 -0.225 3.731 3.960 -0.005 0.000 0.218 392 G C 1.296 176.372 174.900 0.294 0.000 1.140 392 G CA 0.187 45.428 45.100 0.235 0.000 0.775 392 G HN 0.214 nan 8.290 nan 0.000 0.545 393 F N -0.200 119.859 119.950 0.182 0.000 2.146 393 F HA -0.023 4.500 4.527 -0.007 0.000 0.298 393 F C 2.716 178.728 175.800 0.353 0.000 1.096 393 F CA 1.135 59.315 58.000 0.301 0.000 1.275 393 F CB -0.093 39.116 39.000 0.347 0.000 1.008 393 F HN 0.120 nan 8.300 nan 0.000 0.480 394 H N 0.560 119.941 119.070 0.517 0.000 2.387 394 H HA -0.121 4.432 4.556 -0.005 0.000 0.299 394 H C 1.973 177.423 175.328 0.205 0.000 1.090 394 H CA 1.563 57.882 56.048 0.451 0.000 1.332 394 H CB 0.024 29.956 29.762 0.283 0.000 1.386 394 H HN 0.222 nan 8.280 nan 0.000 0.516 395 E N 0.015 120.403 120.200 0.314 0.000 2.274 395 E HA -0.020 4.327 4.350 -0.005 0.000 0.194 395 E C 2.186 178.829 176.600 0.073 0.000 0.996 395 E CA 0.659 57.176 56.400 0.194 0.000 0.840 395 E CB -0.104 29.712 29.700 0.193 0.000 0.772 395 E HN 0.445 nan 8.360 nan 0.000 0.491 396 A N 0.897 123.759 122.820 0.070 0.000 1.975 396 A HA -0.029 4.288 4.320 -0.005 0.000 0.215 396 A C 2.519 180.077 177.584 -0.043 0.000 1.170 396 A CA 0.603 52.652 52.037 0.020 0.000 0.656 396 A CB -0.373 18.690 19.000 0.106 0.000 0.821 396 A HN 0.099 nan 8.150 nan 0.000 0.449 397 V N 0.290 120.148 119.914 -0.094 0.000 2.231 397 V HA -0.257 3.860 4.120 -0.005 0.000 0.248 397 V C 2.838 178.797 176.094 -0.224 0.000 1.054 397 V CA 2.245 64.451 62.300 -0.157 0.000 1.015 397 V CB -1.626 30.051 31.823 -0.243 0.000 0.638 397 V HN 0.554 nan 8.190 nan 0.000 0.444 398 G N -0.632 108.008 108.800 -0.267 0.000 2.422 398 G HA2 -0.247 3.710 3.960 -0.005 0.000 0.218 398 G HA3 -0.247 3.710 3.960 -0.005 0.000 0.218 398 G C 1.180 175.942 174.900 -0.231 0.000 1.146 398 G CA 1.050 46.019 45.100 -0.219 0.000 0.769 398 G HN 0.529 nan 8.290 nan 0.000 0.547 399 D N 0.058 120.327 120.400 -0.220 0.000 2.178 399 D HA -0.063 4.574 4.640 -0.005 0.000 0.202 399 D C 2.717 178.747 176.300 -0.450 0.000 0.974 399 D CA 0.376 54.182 54.000 -0.323 0.000 0.841 399 D CB -0.179 40.407 40.800 -0.358 0.000 0.953 399 D HN 0.207 nan 8.370 nan 0.000 0.478 400 V N 0.875 120.591 119.914 -0.330 0.000 2.287 400 V HA -0.225 3.892 4.120 -0.005 0.000 0.248 400 V C 2.528 178.425 176.094 -0.329 0.000 1.053 400 V CA 1.186 63.337 62.300 -0.250 0.000 1.027 400 V CB -0.449 31.417 31.823 0.072 0.000 0.646 400 V HN 0.271 nan 8.190 nan 0.000 0.447 401 L N -0.359 120.584 121.223 -0.466 0.000 2.056 401 L HA -0.128 4.209 4.340 -0.005 0.000 0.207 401 L C 2.643 179.055 176.870 -0.762 0.000 1.078 401 L CA 1.699 56.096 54.840 -0.738 0.000 0.749 401 L CB -0.916 40.536 42.059 -1.011 0.000 0.901 401 L HN 0.321 nan 8.230 nan 0.000 0.433 402 S N 0.335 115.664 115.700 -0.620 0.000 2.383 402 S HA -0.155 4.312 4.470 -0.005 0.000 0.229 402 S C 2.037 176.207 174.600 -0.715 0.000 1.030 402 S CA 1.165 58.985 58.200 -0.633 0.000 1.002 402 S CB -0.291 62.606 63.200 -0.505 0.000 0.829 402 S HN 0.284 nan 8.310 nan 0.000 0.467 403 L N 1.385 122.174 121.223 -0.723 0.000 2.042 403 L HA -0.161 4.176 4.340 -0.005 0.000 0.210 403 L C 2.697 179.257 176.870 -0.516 0.000 1.076 403 L CA 1.582 55.937 54.840 -0.808 0.000 0.749 403 L CB -0.582 40.671 42.059 -1.344 0.000 0.893 403 L HN 0.447 nan 8.230 nan 0.000 0.432 404 S N -0.935 114.575 115.700 -0.316 0.000 2.406 404 S HA -0.108 4.359 4.470 -0.005 0.000 0.224 404 S C 1.933 176.442 174.600 -0.150 0.000 1.030 404 S CA 0.736 58.916 58.200 -0.034 0.000 0.958 404 S CB -0.767 62.555 63.200 0.204 0.000 0.811 404 S HN 0.325 nan 8.310 nan 0.000 0.489 405 V N 1.994 121.675 119.914 -0.389 0.000 2.594 405 V HA -0.070 4.047 4.120 -0.005 0.000 0.253 405 V C 2.434 178.521 176.094 -0.013 0.000 1.069 405 V CA 1.998 64.100 62.300 -0.329 0.000 1.082 405 V CB -1.425 30.098 31.823 -0.500 0.000 0.680 405 V HN 0.697 nan 8.190 nan 0.000 0.469 406 S N 1.381 117.007 115.700 -0.123 0.000 2.522 406 S HA -0.017 4.450 4.470 -0.005 0.000 0.227 406 S C 1.163 175.763 174.600 0.000 0.000 0.986 406 S CA 0.509 58.689 58.200 -0.034 0.000 0.929 406 S CB -1.424 61.532 63.200 -0.408 0.000 0.769 406 S HN 0.983 nan 8.310 nan 0.000 0.529 407 T N -0.046 114.511 114.554 0.006 0.000 2.919 407 T HA 0.317 4.664 4.350 -0.005 0.000 0.302 407 T C -1.867 172.827 174.700 -0.011 0.000 1.031 407 T CA -1.363 60.752 62.100 0.025 0.000 1.127 407 T CB 0.696 69.610 68.868 0.077 0.000 0.952 407 T HN -0.055 nan 8.240 nan 0.000 0.540 408 P HA -0.120 nan 4.420 nan 0.000 0.216 408 P C 1.578 178.804 177.300 -0.123 0.000 1.150 408 P CA 1.091 64.027 63.100 -0.274 0.000 0.843 408 P CB 0.075 31.515 31.700 -0.434 0.000 0.787 409 K N -0.924 119.465 120.400 -0.018 0.000 2.020 409 K HA -0.274 4.043 4.320 -0.005 0.000 0.212 409 K C 2.196 178.813 176.600 0.029 0.000 1.050 409 K CA 1.854 58.156 56.287 0.025 0.000 0.929 409 K CB -0.566 31.974 32.500 0.068 0.000 0.714 409 K HN 0.144 nan 8.250 nan 0.000 0.443 410 H N -0.040 119.023 119.070 -0.012 0.000 2.363 410 H HA 0.057 4.610 4.556 -0.006 0.000 0.301 410 H C 1.902 177.206 175.328 -0.040 0.000 1.074 410 H CA 1.561 57.602 56.048 -0.013 0.000 1.354 410 H CB 0.045 29.841 29.762 0.056 0.000 1.397 410 H HN 0.142 nan 8.280 nan 0.000 0.516 411 L N 0.183 121.413 121.223 0.012 0.000 2.201 411 L HA -0.117 4.220 4.340 -0.005 0.000 0.212 411 L C 2.262 179.067 176.870 -0.109 0.000 1.105 411 L CA 1.240 56.052 54.840 -0.046 0.000 0.775 411 L CB -0.254 41.782 42.059 -0.038 0.000 0.913 411 L HN 0.430 nan 8.230 nan 0.000 0.440 412 E N 0.196 120.327 120.200 -0.114 0.000 2.072 412 E HA -0.203 4.144 4.350 -0.005 0.000 0.191 412 E C 2.131 178.663 176.600 -0.114 0.000 0.985 412 E CA 0.887 57.232 56.400 -0.092 0.000 0.801 412 E CB 0.041 29.706 29.700 -0.058 0.000 0.750 412 E HN 0.449 nan 8.360 nan 0.000 0.452 413 K N 0.824 121.117 120.400 -0.178 0.000 2.063 413 K HA -0.148 4.169 4.320 -0.005 0.000 0.208 413 K C 2.178 178.640 176.600 -0.230 0.000 1.048 413 K CA 1.477 57.628 56.287 -0.227 0.000 0.928 413 K CB -0.289 31.996 32.500 -0.359 0.000 0.713 413 K HN 0.304 nan 8.250 nan 0.000 0.442 414 I N -3.051 117.363 120.570 -0.260 0.000 3.812 414 I HA 0.267 4.434 4.170 -0.005 0.000 0.320 414 I C 0.678 176.768 176.117 -0.045 0.000 1.276 414 I CA 0.253 61.462 61.300 -0.152 0.000 1.164 414 I CB -0.033 37.889 38.000 -0.130 0.000 1.009 414 I HN 0.192 nan 8.210 nan 0.000 0.431 415 G N 2.153 110.918 108.800 -0.058 0.000 2.160 415 G HA2 -0.266 3.691 3.960 -0.005 0.000 0.251 415 G HA3 -0.266 3.691 3.960 -0.005 0.000 0.251 415 G C 0.550 175.438 174.900 -0.020 0.000 1.008 415 G CA 0.595 45.681 45.100 -0.024 0.000 0.724 415 G HN 0.509 nan 8.290 nan 0.000 0.514 416 L N -1.486 119.710 121.223 -0.044 0.000 2.477 416 L HA 0.423 4.760 4.340 -0.005 0.000 0.220 416 L C 0.902 177.733 176.870 -0.065 0.000 1.106 416 L CA 0.168 54.963 54.840 -0.074 0.000 0.851 416 L CB 0.295 42.290 42.059 -0.107 0.000 0.994 416 L HN 0.280 nan 8.230 nan 0.000 0.462 417 L N 0.800 121.989 121.223 -0.056 0.000 2.343 417 L HA 0.418 4.754 4.340 -0.005 0.000 0.278 417 L C -0.772 176.096 176.870 -0.003 0.000 0.996 417 L CA -0.182 54.630 54.840 -0.047 0.000 0.831 417 L CB 1.210 43.194 42.059 -0.125 0.000 1.232 417 L HN -0.098 nan 8.230 nan 0.000 0.413 418 K N 3.988 124.408 120.400 0.033 0.000 2.259 418 K HA 0.502 4.819 4.320 -0.005 0.000 0.249 418 K C -0.830 175.821 176.600 0.084 0.000 0.942 418 K CA -0.814 55.501 56.287 0.047 0.000 0.816 418 K CB 1.510 34.026 32.500 0.026 0.000 1.155 418 K HN 0.588 nan 8.250 nan 0.000 0.428 419 D N 1.242 121.688 120.400 0.076 0.000 2.699 419 D HA -0.248 4.388 4.640 -0.005 0.000 0.239 419 D C -1.077 175.282 176.300 0.098 0.000 1.136 419 D CA 1.063 55.103 54.000 0.067 0.000 0.668 419 D CB -1.179 39.644 40.800 0.038 0.000 1.060 419 D HN 0.452 nan 8.370 nan 0.000 0.429 420 Y N 0.122 120.420 120.300 -0.004 0.000 2.341 420 Y HA 0.410 4.957 4.550 -0.005 0.000 0.340 420 Y C -0.248 175.648 175.900 -0.007 0.000 0.997 420 Y CA -0.667 57.431 58.100 -0.003 0.000 1.149 420 Y CB 1.047 39.508 38.460 0.002 0.000 1.171 420 Y HN -0.124 nan 8.280 nan 0.000 0.494 421 V N 8.068 127.752 119.914 -0.383 0.000 2.370 421 V HA 0.350 4.466 4.120 -0.005 0.000 0.283 421 V C 0.169 175.987 176.094 -0.461 0.000 1.023 421 V CA -0.827 61.303 62.300 -0.283 0.000 0.857 421 V CB 1.305 33.012 31.823 -0.193 0.000 0.985 421 V HN 0.707 nan 8.190 nan 0.000 0.443 422 R N 3.583 123.964 120.500 -0.199 0.000 4.390 422 R HA 0.176 4.513 4.340 -0.005 0.000 0.229 422 R C -0.136 176.107 176.300 -0.095 0.000 1.674 422 R CA -0.502 55.539 56.100 -0.099 0.000 1.526 422 R CB -0.261 30.128 30.300 0.149 0.000 1.418 422 R HN 0.934 nan 8.270 nan 0.000 0.790 423 D N -0.679 119.622 120.400 -0.164 0.000 2.414 423 D HA -0.009 4.627 4.640 -0.005 0.000 0.251 423 D C 0.514 176.725 176.300 -0.150 0.000 1.252 423 D CA -0.479 53.435 54.000 -0.143 0.000 0.999 423 D CB 0.647 41.347 40.800 -0.167 0.000 1.093 423 D HN -0.016 nan 8.370 nan 0.000 0.515 424 D N -0.519 119.788 120.400 -0.156 0.000 2.149 424 D HA -0.159 4.478 4.640 -0.005 0.000 0.198 424 D C 1.570 177.707 176.300 -0.271 0.000 0.990 424 D CA 1.244 55.145 54.000 -0.165 0.000 0.839 424 D CB -0.034 40.684 40.800 -0.135 0.000 0.948 424 D HN 0.593 nan 8.370 nan 0.000 0.460 425 E N 0.406 120.350 120.200 -0.427 0.000 2.112 425 E HA 0.012 4.359 4.350 -0.005 0.000 0.190 425 E C 2.125 178.531 176.600 -0.325 0.000 0.979 425 E CA 0.669 56.626 56.400 -0.738 0.000 0.814 425 E CB 0.021 29.000 29.700 -1.202 0.000 0.762 425 E HN 0.174 nan 8.360 nan 0.000 0.460 426 A N 1.808 124.492 122.820 -0.227 0.000 1.933 426 A HA -0.186 4.131 4.320 -0.005 0.000 0.218 426 A C 2.117 179.709 177.584 0.013 0.000 1.175 426 A CA 1.216 53.191 52.037 -0.103 0.000 0.628 426 A CB -0.409 18.437 19.000 -0.257 0.000 0.814 426 A HN 0.049 nan 8.150 nan 0.000 0.444 427 R N -0.382 120.100 120.500 -0.031 0.000 2.081 427 R HA -0.110 4.227 4.340 -0.005 0.000 0.235 427 R C 1.811 178.110 176.300 -0.001 0.000 1.131 427 R CA 1.604 57.708 56.100 0.006 0.000 0.960 427 R CB -0.272 30.012 30.300 -0.028 0.000 0.856 427 R HN 0.447 nan 8.270 nan 0.000 0.436 428 I N 1.705 122.230 120.570 -0.076 0.000 2.252 428 I HA -0.242 3.924 4.170 -0.005 0.000 0.245 428 I C 1.735 177.844 176.117 -0.012 0.000 1.102 428 I CA 1.213 62.431 61.300 -0.136 0.000 1.385 428 I CB -1.425 36.316 38.000 -0.432 0.000 1.064 428 I HN 0.205 nan 8.210 nan 0.000 0.414 429 N N 0.913 119.650 118.700 0.061 0.000 2.061 429 N HA -0.256 4.481 4.740 -0.005 0.000 0.193 429 N C 1.847 177.484 175.510 0.212 0.000 1.030 429 N CA 1.387 54.525 53.050 0.145 0.000 0.856 429 N CB -0.421 38.161 38.487 0.158 0.000 1.023 429 N HN 0.404 nan 8.380 nan 0.000 0.424 430 Q N 0.694 120.603 119.800 0.181 0.000 2.083 430 Q HA 0.089 4.425 4.340 -0.005 0.000 0.198 430 Q C 2.063 178.188 176.000 0.208 0.000 0.969 430 Q CA 1.046 56.960 55.803 0.185 0.000 0.838 430 Q CB -0.412 28.421 28.738 0.159 0.000 0.900 430 Q HN 0.372 nan 8.270 nan 0.000 0.436 431 L N -0.510 120.833 121.223 0.200 0.000 2.042 431 L HA -0.150 4.187 4.340 -0.005 0.000 0.210 431 L C 2.228 179.337 176.870 0.397 0.000 1.076 431 L CA 1.476 56.489 54.840 0.288 0.000 0.749 431 L CB -0.495 41.695 42.059 0.218 0.000 0.893 431 L HN 0.289 nan 8.230 nan 0.000 0.432 432 F N -0.004 120.048 119.950 0.171 0.000 2.102 432 F HA -0.280 4.244 4.527 -0.005 0.000 0.298 432 F C 2.311 178.217 175.800 0.177 0.000 1.105 432 F CA 1.412 59.505 58.000 0.156 0.000 1.239 432 F CB -0.053 39.001 39.000 0.090 0.000 0.991 432 F HN -0.047 nan 8.300 nan 0.000 0.474 433 L N 0.184 121.588 121.223 0.302 0.000 2.013 433 L HA -0.227 4.110 4.340 -0.005 0.000 0.212 433 L C 2.214 179.164 176.870 0.133 0.000 1.073 433 L CA 2.555 57.518 54.840 0.205 0.000 0.753 433 L CB -1.325 40.865 42.059 0.218 0.000 0.890 433 L HN 0.173 nan 8.230 nan 0.000 0.432 434 T N -0.129 114.541 114.554 0.193 0.000 2.746 434 T HA -0.120 4.226 4.350 -0.005 0.000 0.267 434 T C 1.908 176.732 174.700 0.206 0.000 1.039 434 T CA 1.292 63.521 62.100 0.215 0.000 1.142 434 T CB -0.589 68.478 68.868 0.331 0.000 0.866 434 T HN 0.535 nan 8.240 nan 0.000 0.444 435 A N 1.262 124.171 122.820 0.148 0.000 1.972 435 A HA 0.044 4.361 4.320 -0.005 0.000 0.219 435 A C 2.234 179.649 177.584 -0.282 0.000 1.169 435 A CA 1.041 52.910 52.037 -0.280 0.000 0.635 435 A CB -0.847 17.885 19.000 -0.446 0.000 0.810 435 A HN 0.494 nan 8.150 nan 0.000 0.446 436 L N -0.752 120.324 121.223 -0.246 0.000 2.265 436 L HA -0.169 4.168 4.340 -0.005 0.000 0.215 436 L C 1.670 178.474 176.870 -0.111 0.000 1.117 436 L CA 1.099 55.821 54.840 -0.197 0.000 0.782 436 L CB -0.401 41.631 42.059 -0.045 0.000 0.914 436 L HN 0.314 nan 8.230 nan 0.000 0.441 437 D N -0.664 119.723 120.400 -0.022 0.000 2.320 437 D HA -0.059 4.577 4.640 -0.005 0.000 0.228 437 D C 2.207 178.599 176.300 0.153 0.000 0.978 437 D CA 0.767 54.799 54.000 0.053 0.000 0.905 437 D CB 0.101 40.933 40.800 0.053 0.000 1.051 437 D HN -0.008 nan 8.370 nan 0.000 0.471 438 K N 0.534 121.030 120.400 0.160 0.000 2.076 438 K HA 0.052 4.369 4.320 -0.005 0.000 0.204 438 K C 2.016 178.748 176.600 0.220 0.000 1.051 438 K CA 0.502 56.995 56.287 0.343 0.000 0.949 438 K CB -0.007 32.702 32.500 0.347 0.000 0.726 438 K HN 0.170 nan 8.250 nan 0.000 0.443 439 I N 0.863 121.370 120.570 -0.104 0.000 2.277 439 I HA -0.133 4.034 4.170 -0.005 0.000 0.243 439 I C 2.441 178.526 176.117 -0.053 0.000 1.094 439 I CA 0.688 61.903 61.300 -0.141 0.000 1.393 439 I CB -1.208 36.599 38.000 -0.322 0.000 1.078 439 I HN -0.214 nan 8.210 nan 0.000 0.417 440 V N 1.113 120.939 119.914 -0.147 0.000 2.380 440 V HA -0.317 3.800 4.120 -0.005 0.000 0.251 440 V C 2.441 178.413 176.094 -0.204 0.000 1.063 440 V CA 1.931 64.050 62.300 -0.303 0.000 1.055 440 V CB -0.855 30.441 31.823 -0.878 0.000 0.657 440 V HN 0.283 nan 8.190 nan 0.000 0.455 441 F N 0.025 119.836 119.950 -0.231 0.000 2.269 441 F HA -0.124 4.400 4.527 -0.005 0.000 0.301 441 F C 1.939 177.642 175.800 -0.161 0.000 1.082 441 F CA 1.321 59.186 58.000 -0.224 0.000 1.360 441 F CB -0.152 38.585 39.000 -0.439 0.000 1.041 441 F HN 0.061 nan 8.300 nan 0.000 0.512 442 L N 0.855 122.033 121.223 -0.076 0.000 1.994 442 L HA -0.166 4.170 4.340 -0.005 0.000 0.208 442 L C -0.286 176.531 176.870 -0.089 0.000 1.071 442 L CA 1.353 56.162 54.840 -0.052 0.000 0.745 442 L CB -2.440 39.699 42.059 0.134 0.000 0.892 442 L HN 0.070 nan 8.230 nan 0.000 0.431 443 P HA -0.224 nan 4.420 nan 0.000 0.218 443 P C 1.663 178.831 177.300 -0.220 0.000 1.149 443 P CA 1.420 64.492 63.100 -0.048 0.000 0.817 443 P CB -0.135 31.531 31.700 -0.057 0.000 0.785 444 F N 1.837 121.559 119.950 -0.379 0.000 2.069 444 F HA -0.168 4.356 4.527 -0.006 0.000 0.298 444 F C 2.339 177.808 175.800 -0.551 0.000 1.113 444 F CA 2.023 59.766 58.000 -0.428 0.000 1.214 444 F CB -1.004 37.736 39.000 -0.434 0.000 0.978 444 F HN -0.078 nan 8.300 nan 0.000 0.474 445 A N -0.005 122.399 122.820 -0.694 0.000 1.933 445 A HA -0.200 4.116 4.320 -0.005 0.000 0.218 445 A C 2.175 179.513 177.584 -0.410 0.000 1.175 445 A CA 1.526 53.227 52.037 -0.561 0.000 0.628 445 A CB -1.488 17.196 19.000 -0.526 0.000 0.814 445 A HN 0.508 nan 8.150 nan 0.000 0.444 446 F N 1.783 121.354 119.950 -0.632 0.000 2.146 446 F HA -0.132 4.392 4.527 -0.005 0.000 0.298 446 F C 2.858 178.171 175.800 -0.812 0.000 1.096 446 F CA 1.833 59.398 58.000 -0.726 0.000 1.275 446 F CB -1.021 37.401 39.000 -0.963 0.000 1.008 446 F HN 0.422 nan 8.300 nan 0.000 0.480 447 T N -2.550 111.611 114.554 -0.655 0.000 2.904 447 T HA -0.166 4.181 4.350 -0.005 0.000 0.267 447 T C 2.037 176.372 174.700 -0.610 0.000 1.059 447 T CA 0.998 62.676 62.100 -0.703 0.000 1.137 447 T CB -0.328 68.154 68.868 -0.644 0.000 0.879 447 T HN 0.042 nan 8.240 nan 0.000 0.467 448 M N 1.856 121.030 119.600 -0.711 0.000 2.108 448 M HA -0.039 4.437 4.480 -0.005 0.000 0.261 448 M C 1.640 177.717 176.300 -0.372 0.000 1.066 448 M CA 1.562 56.498 55.300 -0.605 0.000 1.107 448 M CB -1.147 30.870 32.600 -0.972 0.000 1.356 448 M HN 0.264 nan 8.290 nan 0.000 0.406 449 D N -0.254 119.863 120.400 -0.472 0.000 2.216 449 D HA -0.016 4.621 4.640 -0.005 0.000 0.208 449 D C 2.021 177.690 176.300 -1.050 0.000 0.960 449 D CA 0.738 54.331 54.000 -0.679 0.000 0.861 449 D CB -0.029 40.322 40.800 -0.749 0.000 0.985 449 D HN 0.261 nan 8.370 nan 0.000 0.493 450 K N -0.190 119.671 120.400 -0.899 0.000 2.074 450 K HA -0.220 4.097 4.320 -0.005 0.000 0.209 450 K C 2.047 178.479 176.600 -0.279 0.000 1.048 450 K CA 1.077 57.013 56.287 -0.586 0.000 0.926 450 K CB -0.247 31.869 32.500 -0.641 0.000 0.713 450 K HN 0.197 nan 8.250 nan 0.000 0.444 451 Y N 1.589 121.651 120.300 -0.397 0.000 2.114 451 Y HA -0.190 4.357 4.550 -0.005 0.000 0.284 451 Y C 2.122 177.845 175.900 -0.295 0.000 1.143 451 Y CA 1.515 59.448 58.100 -0.278 0.000 1.135 451 Y CB -0.066 38.266 38.460 -0.213 0.000 0.980 451 Y HN -0.087 nan 8.280 nan 0.000 0.499 452 R N -1.218 119.038 120.500 -0.407 0.000 2.092 452 R HA -0.192 4.145 4.340 -0.005 0.000 0.231 452 R C 2.068 177.927 176.300 -0.734 0.000 1.119 452 R CA 1.419 57.096 56.100 -0.704 0.000 0.970 452 R CB -0.596 29.440 30.300 -0.441 0.000 0.864 452 R HN 0.404 nan 8.270 nan 0.000 0.440 453 W N 0.956 122.037 121.300 -0.366 0.000 2.335 453 W HA -0.173 4.483 4.660 -0.006 0.000 0.311 453 W C 2.640 179.036 176.519 -0.205 0.000 1.213 453 W CA 1.448 58.693 57.345 -0.168 0.000 1.274 453 W CB -1.384 28.064 29.460 -0.020 0.000 1.148 453 W HN 0.182 nan 8.180 nan 0.000 0.498 454 S N -0.060 115.620 115.700 -0.034 0.000 2.402 454 S HA -0.138 4.329 4.470 -0.005 0.000 0.229 454 S C 1.951 176.434 174.600 -0.195 0.000 1.021 454 S CA 1.298 59.446 58.200 -0.085 0.000 0.974 454 S CB -0.864 62.282 63.200 -0.090 0.000 0.800 454 S HN 0.247 nan 8.310 nan 0.000 0.484 455 L N -0.465 120.484 121.223 -0.456 0.000 2.044 455 L HA 0.081 4.418 4.340 -0.005 0.000 0.205 455 L C 2.595 179.370 176.870 -0.157 0.000 1.075 455 L CA 1.380 55.914 54.840 -0.510 0.000 0.747 455 L CB -0.794 40.666 42.059 -0.998 0.000 0.903 455 L HN 0.295 nan 8.230 nan 0.000 0.435 456 F N 0.463 120.280 119.950 -0.222 0.000 2.161 456 F HA -0.209 4.315 4.527 -0.005 0.000 0.300 456 F C 2.557 178.289 175.800 -0.113 0.000 1.089 456 F CA 0.718 58.601 58.000 -0.195 0.000 1.282 456 F CB -0.156 38.705 39.000 -0.232 0.000 1.010 456 F HN 0.019 nan 8.300 nan 0.000 0.485 457 R N 0.142 120.712 120.500 0.116 0.000 2.313 457 R HA 0.088 4.425 4.340 -0.005 0.000 0.199 457 R C 1.265 177.600 176.300 0.058 0.000 0.958 457 R CA 0.550 56.689 56.100 0.065 0.000 1.047 457 R CB -0.174 30.157 30.300 0.051 0.000 0.955 457 R HN 0.346 nan 8.270 nan 0.000 0.481 458 G N 1.450 110.293 108.800 0.073 0.000 2.198 458 G HA2 -0.298 3.659 3.960 -0.005 0.000 0.257 458 G HA3 -0.298 3.659 3.960 -0.005 0.000 0.257 458 G C 0.334 175.291 174.900 0.095 0.000 1.042 458 G CA 0.395 45.555 45.100 0.099 0.000 0.791 458 G HN 0.461 nan 8.290 nan 0.000 0.502 459 E N -1.316 118.929 120.200 0.075 0.000 2.385 459 E HA 0.239 4.586 4.350 -0.005 0.000 0.194 459 E C 0.666 177.327 176.600 0.103 0.000 1.013 459 E CA 0.582 57.026 56.400 0.073 0.000 0.866 459 E CB 0.676 30.407 29.700 0.052 0.000 0.832 459 E HN 0.405 nan 8.360 nan 0.000 0.500 460 V N 2.421 122.422 119.914 0.144 0.000 2.487 460 V HA 0.140 4.257 4.120 -0.005 0.000 0.298 460 V C -0.374 175.958 176.094 0.397 0.000 1.028 460 V CA -1.082 61.360 62.300 0.237 0.000 0.860 460 V CB 1.809 33.752 31.823 0.200 0.000 0.991 460 V HN 0.004 nan 8.190 nan 0.000 0.427 461 D N 3.218 123.787 120.400 0.281 0.000 2.414 461 D HA 0.129 4.766 4.640 -0.005 0.000 0.242 461 D C 1.021 177.381 176.300 0.100 0.000 1.129 461 D CA -0.122 53.987 54.000 0.181 0.000 0.885 461 D CB 1.519 42.374 40.800 0.092 0.000 1.198 461 D HN 0.448 nan 8.370 nan 0.000 0.437 462 K N 1.246 121.484 120.400 -0.271 0.000 2.173 462 K HA -0.210 4.107 4.320 -0.005 0.000 0.207 462 K C 1.719 178.042 176.600 -0.463 0.000 1.046 462 K CA 1.380 57.110 56.287 -0.929 0.000 0.929 462 K CB -0.019 32.007 32.500 -0.791 0.000 0.720 462 K HN 0.440 nan 8.250 nan 0.000 0.453 463 A N 0.956 123.678 122.820 -0.163 0.000 2.121 463 A HA -0.125 4.192 4.320 -0.005 0.000 0.218 463 A C 1.000 178.636 177.584 0.088 0.000 1.154 463 A CA 1.351 53.367 52.037 -0.035 0.000 0.679 463 A CB -0.285 18.710 19.000 -0.008 0.000 0.795 463 A HN 0.411 nan 8.150 nan 0.000 0.458 464 N N -2.229 116.580 118.700 0.182 0.000 2.200 464 N HA 0.081 4.818 4.740 -0.005 0.000 0.224 464 N C 0.484 176.278 175.510 0.473 0.000 1.179 464 N CA -0.389 52.833 53.050 0.287 0.000 0.877 464 N CB 0.207 38.841 38.487 0.244 0.000 1.072 464 N HN 0.500 nan 8.380 nan 0.000 0.519 465 W N 1.411 122.857 121.300 0.243 0.000 2.358 465 W HA 0.016 4.673 4.660 -0.005 0.000 0.303 465 W C 2.126 178.930 176.519 0.475 0.000 1.208 465 W CA 0.701 58.271 57.345 0.376 0.000 1.274 465 W CB -0.755 28.952 29.460 0.411 0.000 1.138 465 W HN 0.196 nan 8.180 nan 0.000 0.515 466 N N -0.985 118.099 118.700 0.639 0.000 2.171 466 N HA -0.120 4.617 4.740 -0.005 0.000 0.184 466 N C 1.609 177.350 175.510 0.384 0.000 1.021 466 N CA 1.700 55.016 53.050 0.443 0.000 0.854 466 N CB -0.664 38.095 38.487 0.454 0.000 0.994 466 N HN -0.083 nan 8.380 nan 0.000 0.426 467 c N -0.137 118.693 118.600 0.383 0.000 2.446 467 c HA 0.241 4.808 4.570 -0.005 0.000 0.279 467 c C 2.667 176.931 174.090 0.290 0.000 1.366 467 c CA 0.384 56.922 56.329 0.347 0.000 1.763 467 c CB -1.392 41.282 42.510 0.273 0.000 1.929 467 c HN 0.534 nan 8.230 nan 0.000 0.509 468 A N 0.055 123.062 122.820 0.311 0.000 1.933 468 A HA -0.195 4.122 4.320 -0.005 0.000 0.218 468 A C 1.857 179.568 177.584 0.212 0.000 1.175 468 A CA 1.560 53.770 52.037 0.289 0.000 0.628 468 A CB -0.728 18.484 19.000 0.353 0.000 0.814 468 A HN 0.543 nan 8.150 nan 0.000 0.444 469 F N -0.895 118.980 119.950 -0.125 0.000 2.060 469 F HA -0.141 4.383 4.527 -0.005 0.000 0.295 469 F C 2.013 177.528 175.800 -0.476 0.000 1.120 469 F CA 1.736 59.279 58.000 -0.761 0.000 1.205 469 F CB -0.600 37.601 39.000 -1.332 0.000 0.986 469 F HN 0.384 nan 8.300 nan 0.000 0.470 470 W N 0.923 122.190 121.300 -0.055 0.000 2.425 470 W HA -0.078 4.578 4.660 -0.005 0.000 0.277 470 W C 2.417 178.889 176.519 -0.079 0.000 1.231 470 W CA 0.788 58.075 57.345 -0.097 0.000 1.248 470 W CB -0.349 29.145 29.460 0.058 0.000 1.117 470 W HN -0.086 nan 8.180 nan 0.000 0.568 471 K N 0.396 120.898 120.400 0.171 0.000 2.032 471 K HA -0.192 4.125 4.320 -0.005 0.000 0.209 471 K C 1.838 178.496 176.600 0.097 0.000 1.048 471 K CA 1.466 57.836 56.287 0.138 0.000 0.927 471 K CB -0.651 31.933 32.500 0.138 0.000 0.712 471 K HN 0.242 nan 8.250 nan 0.000 0.441 472 L N 0.597 121.820 121.223 0.000 0.000 2.056 472 L HA -0.162 4.175 4.340 -0.005 0.000 0.207 472 L C 2.454 179.328 176.870 0.006 0.000 1.078 472 L CA 0.920 55.767 54.840 0.011 0.000 0.749 472 L CB -0.300 41.662 42.059 -0.162 0.000 0.901 472 L HN 0.108 nan 8.230 nan 0.000 0.433 473 R N -0.086 120.303 120.500 -0.185 0.000 2.120 473 R HA -0.174 4.163 4.340 -0.005 0.000 0.234 473 R C 1.765 178.123 176.300 0.097 0.000 1.123 473 R CA 1.401 57.450 56.100 -0.086 0.000 0.975 473 R CB -0.858 29.373 30.300 -0.116 0.000 0.866 473 R HN 0.428 nan 8.270 nan 0.000 0.446 474 D N 0.901 121.382 120.400 0.136 0.000 2.077 474 D HA -0.176 4.461 4.640 -0.005 0.000 0.196 474 D C 1.757 178.262 176.300 0.342 0.000 0.986 474 D CA 1.302 55.403 54.000 0.169 0.000 0.829 474 D CB -0.101 40.816 40.800 0.194 0.000 0.983 474 D HN 0.285 nan 8.370 nan 0.000 0.453 475 E N -1.633 118.745 120.200 0.296 0.000 2.097 475 E HA -0.234 4.113 4.350 -0.005 0.000 0.196 475 E C 2.004 178.734 176.600 0.217 0.000 1.000 475 E CA 1.267 57.797 56.400 0.216 0.000 0.804 475 E CB -0.124 29.579 29.700 0.005 0.000 0.740 475 E HN 0.442 nan 8.360 nan 0.000 0.454 476 Y N -1.053 119.400 120.300 0.255 0.000 2.396 476 Y HA 0.140 4.686 4.550 -0.005 0.000 0.292 476 Y C 2.516 178.595 175.900 0.298 0.000 1.128 476 Y CA 0.751 59.005 58.100 0.258 0.000 1.194 476 Y CB 0.434 38.906 38.460 0.019 0.000 1.124 476 Y HN -0.035 nan 8.280 nan 0.000 0.543 477 S N -1.462 114.422 115.700 0.306 0.000 2.502 477 S HA 0.194 4.660 4.470 -0.005 0.000 0.215 477 S C 1.425 176.041 174.600 0.026 0.000 1.009 477 S CA 0.610 58.954 58.200 0.239 0.000 0.908 477 S CB 0.126 63.464 63.200 0.230 0.000 0.801 477 S HN 0.617 nan 8.310 nan 0.000 0.505 478 G N 2.256 110.747 108.800 -0.514 0.000 2.246 478 G HA2 -0.249 3.707 3.960 -0.005 0.000 0.273 478 G HA3 -0.249 3.707 3.960 -0.005 0.000 0.273 478 G C -0.112 174.501 174.900 -0.479 0.000 1.055 478 G CA 0.697 44.855 45.100 -1.571 0.000 0.851 478 G HN 0.598 nan 8.290 nan 0.000 0.500 479 I N -3.303 117.176 120.570 -0.151 0.000 2.957 479 I HA 1.037 5.204 4.170 -0.005 0.000 0.310 479 I C -0.353 175.745 176.117 -0.031 0.000 1.063 479 I CA -1.794 59.485 61.300 -0.035 0.000 1.033 479 I CB 2.116 40.186 38.000 0.117 0.000 1.230 479 I HN 0.417 nan 8.210 nan 0.000 0.447 480 E N 1.689 121.822 120.200 -0.112 0.000 2.413 480 E HA 0.636 4.983 4.350 -0.005 0.000 0.277 480 E C -3.108 173.195 176.600 -0.494 0.000 0.958 480 E CA -2.244 54.008 56.400 -0.245 0.000 0.779 480 E CB 1.622 31.183 29.700 -0.231 0.000 1.278 480 E HN 0.312 nan 8.360 nan 0.000 0.456 481 P HA 0.029 nan 4.420 nan 0.000 0.268 481 P C -1.871 174.807 177.300 -1.036 0.000 1.208 481 P CA -0.964 61.372 63.100 -1.273 0.000 0.777 481 P CB 0.191 31.049 31.700 -1.404 0.000 0.875 482 P HA -0.059 nan 4.420 nan 0.000 0.229 482 P C 0.077 176.941 177.300 -0.727 0.000 1.160 482 P CA 1.142 63.607 63.100 -1.058 0.000 0.777 482 P CB 0.192 30.941 31.700 -1.585 0.000 0.814 483 V N -4.380 115.106 119.914 -0.713 0.000 3.102 483 V HA 0.469 4.586 4.120 -0.005 0.000 0.312 483 V C -0.027 175.849 176.094 -0.363 0.000 1.135 483 V CA -1.468 60.582 62.300 -0.417 0.000 1.022 483 V CB 1.812 33.467 31.823 -0.279 0.000 1.056 483 V HN -0.348 nan 8.190 nan 0.000 0.436 484 V N 3.558 123.340 119.914 -0.221 0.000 2.529 484 V HA 0.347 4.463 4.120 -0.005 0.000 0.292 484 V C 0.520 176.547 176.094 -0.111 0.000 1.028 484 V CA 0.032 62.234 62.300 -0.163 0.000 1.074 484 V CB -0.129 31.638 31.823 -0.094 0.000 0.958 484 V HN 0.892 nan 8.190 nan 0.000 0.481 485 R N 3.338 123.774 120.500 -0.107 0.000 2.856 485 R HA 0.833 5.170 4.340 -0.005 0.000 0.258 485 R C 0.020 176.366 176.300 0.077 0.000 1.066 485 R CA -0.479 55.630 56.100 0.015 0.000 1.045 485 R CB 1.893 32.219 30.300 0.043 0.000 1.178 485 R HN 0.862 nan 8.270 nan 0.000 0.499 486 S N -1.158 114.630 115.700 0.145 0.000 2.790 486 S HA 0.280 4.746 4.470 -0.005 0.000 0.292 486 S C 0.091 174.814 174.600 0.204 0.000 1.197 486 S CA -0.788 57.504 58.200 0.153 0.000 0.851 486 S CB 1.290 64.552 63.200 0.103 0.000 1.217 486 S HN 0.409 nan 8.310 nan 0.000 0.526 487 E N 0.537 120.845 120.200 0.179 0.000 2.516 487 E HA 0.089 4.436 4.350 -0.005 0.000 0.199 487 E C 0.897 177.591 176.600 0.157 0.000 1.069 487 E CA 0.340 56.855 56.400 0.192 0.000 0.876 487 E CB -0.237 29.555 29.700 0.153 0.000 0.843 487 E HN 0.524 nan 8.360 nan 0.000 0.530 488 K N 0.540 121.022 120.400 0.137 0.000 2.365 488 K HA 0.002 4.319 4.320 -0.005 0.000 0.197 488 K C 0.350 177.038 176.600 0.146 0.000 1.042 488 K CA 0.443 56.798 56.287 0.113 0.000 0.987 488 K CB 0.392 32.944 32.500 0.085 0.000 0.779 488 K HN 0.067 nan 8.250 nan 0.000 0.484 489 D N -0.521 119.999 120.400 0.201 0.000 2.326 489 D HA 0.189 4.825 4.640 -0.005 0.000 0.251 489 D C -1.095 175.417 176.300 0.353 0.000 1.023 489 D CA -0.361 53.785 54.000 0.243 0.000 0.966 489 D CB 1.430 42.382 40.800 0.253 0.000 1.156 489 D HN -0.173 nan 8.370 nan 0.000 0.494 490 F N 1.342 121.356 119.950 0.106 0.000 2.902 490 F HA 0.188 4.712 4.527 -0.005 0.000 0.368 490 F C 0.105 175.873 175.800 -0.053 0.000 1.202 490 F CA -0.700 57.328 58.000 0.045 0.000 1.109 490 F CB 1.048 40.070 39.000 0.037 0.000 1.418 490 F HN 0.068 nan 8.300 nan 0.000 0.527 491 D N 3.016 123.150 120.400 -0.443 0.000 2.327 491 D HA 0.096 4.733 4.640 -0.005 0.000 0.205 491 D C 2.112 177.897 176.300 -0.858 0.000 0.989 491 D CA 0.879 54.692 54.000 -0.311 0.000 0.873 491 D CB 0.416 41.395 40.800 0.299 0.000 0.955 491 D HN 0.564 nan 8.370 nan 0.000 0.515 492 A N 2.131 123.964 122.820 -1.645 0.000 1.892 492 A HA -0.145 4.171 4.320 -0.005 0.000 0.218 492 A C -0.405 176.628 177.584 -0.917 0.000 1.188 492 A CA 1.368 52.351 52.037 -1.757 0.000 0.631 492 A CB -1.499 16.468 19.000 -1.721 0.000 0.822 492 A HN 0.166 nan 8.150 nan 0.000 0.447 493 P HA 0.085 nan 4.420 nan 0.000 0.242 493 P C 1.093 178.271 177.300 -0.202 0.000 1.197 493 P CA 1.018 63.879 63.100 -0.398 0.000 0.765 493 P CB -0.037 31.513 31.700 -0.250 0.000 0.936 494 A N -0.841 121.823 122.820 -0.259 0.000 2.172 494 A HA -0.095 4.222 4.320 -0.005 0.000 0.216 494 A C 1.310 179.139 177.584 0.408 0.000 1.154 494 A CA 0.869 52.831 52.037 -0.125 0.000 0.701 494 A CB -0.798 17.770 19.000 -0.721 0.000 0.789 494 A HN 0.048 nan 8.150 nan 0.000 0.465 495 K N -0.863 119.578 120.400 0.069 0.000 2.227 495 K HA 0.334 4.651 4.320 -0.005 0.000 0.280 495 K C 0.444 176.840 176.600 -0.340 0.000 1.041 495 K CA -0.744 55.440 56.287 -0.171 0.000 0.905 495 K CB 0.204 32.545 32.500 -0.264 0.000 1.068 495 K HN 0.239 nan 8.250 nan 0.000 0.470 496 Y N 4.233 124.106 120.300 -0.712 0.000 2.062 496 Y HA -0.367 4.180 4.550 -0.005 0.000 0.276 496 Y C 1.128 176.604 175.900 -0.707 0.000 1.189 496 Y CA 2.495 59.875 58.100 -1.200 0.000 1.130 496 Y CB -0.311 37.434 38.460 -1.191 0.000 0.959 496 Y HN 0.942 nan 8.280 nan 0.000 0.499 497 H N -0.497 118.289 119.070 -0.472 0.000 2.422 497 H HA -0.141 4.412 4.556 -0.006 0.000 0.298 497 H C 2.261 177.438 175.328 -0.251 0.000 1.098 497 H CA 2.011 57.879 56.048 -0.300 0.000 1.315 497 H CB -0.352 29.478 29.762 0.114 0.000 1.382 497 H HN 0.425 nan 8.280 nan 0.000 0.523 498 I N -0.795 119.692 120.570 -0.138 0.000 2.333 498 I HA -0.193 3.974 4.170 -0.005 0.000 0.246 498 I C 2.145 178.225 176.117 -0.062 0.000 1.106 498 I CA 0.883 62.162 61.300 -0.036 0.000 1.411 498 I CB -0.176 37.747 38.000 -0.129 0.000 1.082 498 I HN 0.131 nan 8.210 nan 0.000 0.420 499 S N 0.632 116.176 115.700 -0.260 0.000 2.402 499 S HA -0.058 4.409 4.470 -0.005 0.000 0.229 499 S C 1.876 176.274 174.600 -0.336 0.000 1.021 499 S CA 1.356 59.414 58.200 -0.237 0.000 0.974 499 S CB -0.115 62.930 63.200 -0.259 0.000 0.800 499 S HN 0.523 nan 8.310 nan 0.000 0.484 500 A N 0.431 122.919 122.820 -0.554 0.000 2.308 500 A HA 0.308 4.624 4.320 -0.005 0.000 0.217 500 A C 0.522 177.942 177.584 -0.274 0.000 1.216 500 A CA 0.383 52.097 52.037 -0.538 0.000 0.864 500 A CB -0.156 18.183 19.000 -1.101 0.000 0.902 500 A HN 0.377 nan 8.150 nan 0.000 0.499 501 D N -0.917 119.386 120.400 -0.162 0.000 2.705 501 D HA -0.133 4.504 4.640 -0.005 0.000 0.240 501 D C -0.837 175.574 176.300 0.186 0.000 1.137 501 D CA 0.833 54.902 54.000 0.114 0.000 0.677 501 D CB -1.629 39.244 40.800 0.121 0.000 1.049 501 D HN 0.201 nan 8.370 nan 0.000 0.427 502 V N 1.836 121.810 119.914 0.101 0.000 2.357 502 V HA 0.269 4.386 4.120 -0.005 0.000 0.284 502 V C 0.694 176.778 176.094 -0.015 0.000 1.018 502 V CA -0.958 61.380 62.300 0.063 0.000 0.841 502 V CB 1.642 33.542 31.823 0.129 0.000 0.991 502 V HN 0.300 nan 8.190 nan 0.000 0.437 503 E N 2.907 122.834 120.200 -0.455 0.000 2.481 503 E HA -0.107 4.240 4.350 -0.005 0.000 0.263 503 E C -0.569 175.863 176.600 -0.280 0.000 0.992 503 E CA 0.482 56.313 56.400 -0.947 0.000 0.938 503 E CB 0.650 29.492 29.700 -1.430 0.000 0.933 503 E HN 0.695 nan 8.360 nan 0.000 0.453 504 Y N 3.870 124.004 120.300 -0.277 0.000 2.462 504 Y HA 0.019 4.567 4.550 -0.004 0.000 0.253 504 Y C 1.849 177.731 175.900 -0.031 0.000 1.095 504 Y CA 0.037 58.111 58.100 -0.043 0.000 1.283 504 Y CB 0.334 38.718 38.460 -0.127 0.000 1.138 504 Y HN 0.595 nan 8.280 nan 0.000 0.522 505 L N 1.504 122.732 121.223 0.007 0.000 2.187 505 L HA -0.242 4.095 4.340 -0.005 0.000 0.213 505 L C 2.564 179.433 176.870 -0.002 0.000 1.100 505 L CA 1.834 56.685 54.840 0.018 0.000 0.765 505 L CB -0.507 41.654 42.059 0.170 0.000 0.904 505 L HN 0.260 nan 8.230 nan 0.000 0.437 506 R N -1.895 118.573 120.500 -0.053 0.000 2.133 506 R HA -0.266 4.071 4.340 -0.005 0.000 0.247 506 R C 1.931 178.108 176.300 -0.204 0.000 1.151 506 R CA 2.292 58.312 56.100 -0.133 0.000 0.971 506 R CB -1.284 28.798 30.300 -0.364 0.000 0.866 506 R HN 0.366 nan 8.270 nan 0.000 0.447 507 Y N 0.645 120.897 120.300 -0.078 0.000 2.286 507 Y HA -0.016 4.531 4.550 -0.005 0.000 0.293 507 Y C 2.235 178.229 175.900 0.157 0.000 1.124 507 Y CA 0.478 58.595 58.100 0.028 0.000 1.178 507 Y CB -0.377 37.978 38.460 -0.175 0.000 1.010 507 Y HN 0.014 nan 8.280 nan 0.000 0.536 508 L N -0.366 120.931 121.223 0.123 0.000 2.017 508 L HA -0.153 4.183 4.340 -0.005 0.000 0.208 508 L C 2.160 179.046 176.870 0.026 0.000 1.073 508 L CA 1.522 56.358 54.840 -0.006 0.000 0.745 508 L CB -0.937 40.965 42.059 -0.261 0.000 0.894 508 L HN 0.048 nan 8.230 nan 0.000 0.432 509 V N -0.861 119.048 119.914 -0.009 0.000 2.287 509 V HA -0.306 3.811 4.120 -0.005 0.000 0.248 509 V C 2.799 178.912 176.094 0.032 0.000 1.053 509 V CA 1.891 64.184 62.300 -0.012 0.000 1.027 509 V CB -1.035 30.822 31.823 0.057 0.000 0.646 509 V HN 0.689 nan 8.190 nan 0.000 0.447 510 S N -0.343 115.429 115.700 0.120 0.000 2.353 510 S HA -0.227 4.240 4.470 -0.005 0.000 0.222 510 S C 1.921 176.607 174.600 0.143 0.000 1.035 510 S CA 1.895 60.170 58.200 0.127 0.000 1.025 510 S CB -0.550 62.792 63.200 0.237 0.000 0.902 510 S HN 0.539 nan 8.310 nan 0.000 0.440 511 F N 0.886 120.867 119.950 0.050 0.000 2.269 511 F HA 0.030 4.555 4.527 -0.005 0.000 0.301 511 F C 2.010 177.909 175.800 0.165 0.000 1.082 511 F CA 0.871 58.934 58.000 0.106 0.000 1.360 511 F CB -0.153 38.969 39.000 0.204 0.000 1.041 511 F HN 0.260 nan 8.300 nan 0.000 0.512 512 I N 0.261 120.957 120.570 0.211 0.000 2.206 512 I HA -0.238 3.929 4.170 -0.005 0.000 0.239 512 I C 2.344 178.455 176.117 -0.010 0.000 1.078 512 I CA 1.197 62.556 61.300 0.098 0.000 1.367 512 I CB -0.458 37.537 38.000 -0.008 0.000 1.078 512 I HN 0.071 nan 8.210 nan 0.000 0.413 513 I N -0.056 120.398 120.570 -0.192 0.000 2.676 513 I HA -0.238 3.928 4.170 -0.005 0.000 0.259 513 I C 2.479 178.167 176.117 -0.715 0.000 1.194 513 I CA 1.130 62.114 61.300 -0.525 0.000 1.473 513 I CB -0.761 36.788 38.000 -0.751 0.000 1.096 513 I HN 0.367 nan 8.210 nan 0.000 0.443 514 Q N 1.176 120.727 119.800 -0.415 0.000 2.226 514 Q HA -0.171 4.166 4.340 -0.005 0.000 0.204 514 Q C 1.742 177.499 176.000 -0.405 0.000 0.975 514 Q CA 1.652 57.226 55.803 -0.381 0.000 0.866 514 Q CB -0.731 27.736 28.738 -0.451 0.000 0.915 514 Q HN 0.556 nan 8.270 nan 0.000 0.440 515 F N 1.461 121.268 119.950 -0.238 0.000 2.367 515 F HA 0.003 4.527 4.527 -0.004 0.000 0.298 515 F C 2.448 178.199 175.800 -0.082 0.000 1.094 515 F CA 0.996 58.917 58.000 -0.132 0.000 1.409 515 F CB -0.027 38.889 39.000 -0.141 0.000 1.064 515 F HN 0.070 nan 8.300 nan 0.000 0.528 516 Q N -0.315 119.442 119.800 -0.072 0.000 2.050 516 Q HA -0.167 4.170 4.340 -0.005 0.000 0.202 516 Q C 2.185 178.136 176.000 -0.082 0.000 0.980 516 Q CA 1.756 57.482 55.803 -0.129 0.000 0.840 516 Q CB -0.455 28.102 28.738 -0.301 0.000 0.898 516 Q HN 0.435 nan 8.270 nan 0.000 0.424 517 F N -0.962 118.858 119.950 -0.217 0.000 2.113 517 F HA -0.251 4.275 4.527 -0.002 0.000 0.297 517 F C 2.320 178.116 175.800 -0.006 0.000 1.103 517 F CA 0.636 58.395 58.000 -0.402 0.000 1.248 517 F CB -0.274 38.346 39.000 -0.635 0.000 0.999 517 F HN 0.120 nan 8.300 nan 0.000 0.475 518 Y N 1.550 121.886 120.300 0.061 0.000 2.145 518 Y HA -0.244 4.303 4.550 -0.006 0.000 0.286 518 Y C 2.489 178.442 175.900 0.089 0.000 1.145 518 Y CA 1.767 59.889 58.100 0.036 0.000 1.148 518 Y CB -0.531 37.830 38.460 -0.165 0.000 0.981 518 Y HN -0.091 nan 8.280 nan 0.000 0.507 519 K N -0.589 119.864 120.400 0.087 0.000 2.032 519 K HA -0.175 4.142 4.320 -0.005 0.000 0.209 519 K C 2.273 178.923 176.600 0.084 0.000 1.048 519 K CA 1.867 58.161 56.287 0.013 0.000 0.927 519 K CB -0.324 32.234 32.500 0.096 0.000 0.712 519 K HN 0.286 nan 8.250 nan 0.000 0.441 520 S N 0.450 116.258 115.700 0.180 0.000 2.368 520 S HA -0.126 4.341 4.470 -0.005 0.000 0.225 520 S C 2.015 176.699 174.600 0.141 0.000 1.030 520 S CA 1.160 59.487 58.200 0.210 0.000 0.999 520 S CB -0.284 63.140 63.200 0.374 0.000 0.844 520 S HN 0.537 nan 8.310 nan 0.000 0.459 521 A N 0.411 123.354 122.820 0.205 0.000 1.940 521 A HA -0.167 4.150 4.320 -0.005 0.000 0.219 521 A C 2.381 179.978 177.584 0.021 0.000 1.176 521 A CA 1.618 53.735 52.037 0.133 0.000 0.631 521 A CB -1.221 17.969 19.000 0.317 0.000 0.814 521 A HN 0.629 nan 8.150 nan 0.000 0.446 522 c N -0.820 117.735 118.600 -0.075 0.000 2.440 522 c HA 0.003 4.570 4.570 -0.005 0.000 0.278 522 c C 2.547 176.658 174.090 0.035 0.000 1.295 522 c CA 0.745 57.015 56.329 -0.098 0.000 1.738 522 c CB -1.286 41.051 42.510 -0.288 0.000 1.987 522 c HN 0.629 nan 8.230 nan 0.000 0.492 523 I N 0.985 121.605 120.570 0.084 0.000 2.179 523 I HA -0.221 3.946 4.170 -0.005 0.000 0.242 523 I C 2.473 178.600 176.117 0.017 0.000 1.088 523 I CA 1.582 62.926 61.300 0.073 0.000 1.357 523 I CB -0.459 37.594 38.000 0.088 0.000 1.051 523 I HN 0.363 nan 8.210 nan 0.000 0.409 524 K N 0.953 121.353 120.400 -0.000 0.000 2.097 524 K HA -0.106 4.210 4.320 -0.005 0.000 0.206 524 K C 2.049 178.638 176.600 -0.018 0.000 1.049 524 K CA 1.468 57.738 56.287 -0.029 0.000 0.933 524 K CB -0.243 32.215 32.500 -0.071 0.000 0.717 524 K HN 0.311 nan 8.250 nan 0.000 0.442 525 A N 0.412 123.230 122.820 -0.004 0.000 2.206 525 A HA 0.136 4.453 4.320 -0.005 0.000 0.211 525 A C 1.498 179.084 177.584 0.003 0.000 1.158 525 A CA 0.890 52.927 52.037 0.001 0.000 0.761 525 A CB -0.464 18.543 19.000 0.012 0.000 0.801 525 A HN 0.426 nan 8.150 nan 0.000 0.473 526 G N -1.401 107.401 108.800 0.004 0.000 2.153 526 G HA2 -0.275 3.682 3.960 -0.005 0.000 0.252 526 G HA3 -0.275 3.682 3.960 -0.005 0.000 0.252 526 G C 0.707 175.617 174.900 0.016 0.000 0.994 526 G CA 0.600 45.701 45.100 0.002 0.000 0.698 526 G HN 0.460 nan 8.290 nan 0.000 0.521 527 Q N -1.615 118.206 119.800 0.035 0.000 2.392 527 Q HA 0.206 4.543 4.340 -0.005 0.000 0.203 527 Q C -0.042 176.030 176.000 0.120 0.000 0.917 527 Q CA 0.318 56.154 55.803 0.055 0.000 0.939 527 Q CB 0.660 29.420 28.738 0.037 0.000 1.063 527 Q HN 0.732 nan 8.270 nan 0.000 0.516 528 Y N 0.651 120.923 120.300 -0.046 0.000 2.354 528 Y HA 0.378 4.925 4.550 -0.006 0.000 0.330 528 Y C -1.806 174.078 175.900 -0.026 0.000 1.011 528 Y CA -1.801 56.273 58.100 -0.042 0.000 1.099 528 Y CB 1.394 39.817 38.460 -0.062 0.000 1.179 528 Y HN -0.216 nan 8.280 nan 0.000 0.442 529 D N 8.365 128.461 120.400 -0.505 0.000 2.686 529 D HA 0.388 5.025 4.640 -0.005 0.000 0.249 529 D C -2.232 173.695 176.300 -0.622 0.000 1.260 529 D CA -2.344 51.329 54.000 -0.545 0.000 0.910 529 D CB 2.736 43.400 40.800 -0.227 0.000 1.323 529 D HN 0.324 nan 8.370 nan 0.000 0.561 530 P HA -0.007 nan 4.420 nan 0.000 0.228 530 P C -0.083 177.137 177.300 -0.132 0.000 1.151 530 P CA 0.669 63.569 63.100 -0.333 0.000 0.770 530 P CB 0.556 32.135 31.700 -0.202 0.000 0.786 531 D N -1.052 119.263 120.400 -0.142 0.000 2.462 531 D HA 0.081 4.718 4.640 -0.005 0.000 0.221 531 D C 0.059 176.324 176.300 -0.060 0.000 1.173 531 D CA 0.192 54.148 54.000 -0.074 0.000 0.831 531 D CB -0.156 40.605 40.800 -0.065 0.000 1.001 531 D HN 0.090 nan 8.370 nan 0.000 0.499 532 N N 0.896 119.555 118.700 -0.068 0.000 2.504 532 N HA 0.029 4.765 4.740 -0.005 0.000 0.280 532 N C 0.558 176.060 175.510 -0.013 0.000 1.052 532 N CA -0.427 52.599 53.050 -0.040 0.000 0.887 532 N CB 2.036 40.493 38.487 -0.050 0.000 1.323 532 N HN -0.259 nan 8.380 nan 0.000 0.509 533 V N 3.228 123.141 119.914 -0.002 0.000 2.867 533 V HA -0.061 4.056 4.120 -0.005 0.000 0.260 533 V C 1.352 177.455 176.094 0.016 0.000 1.099 533 V CA 1.656 63.962 62.300 0.010 0.000 1.122 533 V CB -0.155 31.672 31.823 0.006 0.000 0.708 533 V HN 0.580 nan 8.190 nan 0.000 0.490 534 E N 0.077 120.284 120.200 0.011 0.000 2.358 534 E HA 0.088 4.435 4.350 -0.005 0.000 0.195 534 E C 0.701 177.319 176.600 0.030 0.000 1.010 534 E CA 0.462 56.872 56.400 0.017 0.000 0.856 534 E CB 0.109 29.815 29.700 0.010 0.000 0.795 534 E HN 0.529 nan 8.360 nan 0.000 0.504 535 L N 2.665 123.910 121.223 0.038 0.000 2.679 535 L HA 0.292 4.629 4.340 -0.005 0.000 0.238 535 L C -2.416 174.546 176.870 0.155 0.000 1.330 535 L CA -1.688 53.196 54.840 0.074 0.000 0.935 535 L CB 0.967 43.054 42.059 0.047 0.000 1.243 535 L HN -0.209 nan 8.230 nan 0.000 0.484 536 P HA 0.084 nan 4.420 nan 0.000 0.277 536 P C 0.702 178.033 177.300 0.053 0.000 1.240 536 P CA -0.603 62.566 63.100 0.116 0.000 0.798 536 P CB 1.953 33.663 31.700 0.017 0.000 0.979 537 L N 2.402 123.546 121.223 -0.133 0.000 2.083 537 L HA -0.154 4.183 4.340 -0.005 0.000 0.209 537 L C 1.621 178.374 176.870 -0.194 0.000 1.083 537 L CA 2.016 56.615 54.840 -0.402 0.000 0.752 537 L CB -1.295 40.321 42.059 -0.739 0.000 0.899 537 L HN 0.410 nan 8.230 nan 0.000 0.433 538 D N -2.255 117.912 120.400 -0.387 0.000 2.378 538 D HA -0.147 4.490 4.640 -0.005 0.000 0.227 538 D C 0.733 177.008 176.300 -0.042 0.000 1.012 538 D CA 0.393 54.170 54.000 -0.372 0.000 0.905 538 D CB -0.362 40.095 40.800 -0.571 0.000 0.895 538 D HN 0.341 nan 8.370 nan 0.000 0.532 539 N N 0.061 118.765 118.700 0.007 0.000 2.416 539 N HA 0.054 4.791 4.740 -0.005 0.000 0.267 539 N C -1.246 174.322 175.510 0.096 0.000 1.294 539 N CA -0.502 52.584 53.050 0.061 0.000 0.891 539 N CB 0.246 38.761 38.487 0.047 0.000 1.238 539 N HN 0.169 nan 8.380 nan 0.000 0.508 540 c N 0.423 119.104 118.600 0.136 0.000 2.514 540 c HA 0.519 5.085 4.570 -0.005 0.000 0.392 540 c C -0.170 174.027 174.090 0.178 0.000 1.294 540 c CA -0.549 55.842 56.329 0.104 0.000 1.957 540 c CB -0.189 42.279 42.510 -0.071 0.000 2.541 540 c HN 0.398 nan 8.230 nan 0.000 0.569 541 D N 3.875 124.364 120.400 0.148 0.000 2.481 541 D HA 0.341 4.978 4.640 -0.005 0.000 0.246 541 D C 0.731 177.139 176.300 0.179 0.000 1.109 541 D CA -0.601 53.524 54.000 0.208 0.000 0.845 541 D CB 0.924 41.864 40.800 0.234 0.000 1.160 541 D HN 0.644 nan 8.370 nan 0.000 0.534 542 I N 1.263 121.970 120.570 0.228 0.000 3.793 542 I HA 0.267 4.434 4.170 -0.005 0.000 0.315 542 I C 0.457 176.621 176.117 0.078 0.000 1.275 542 I CA -0.583 60.814 61.300 0.162 0.000 1.214 542 I CB -0.398 37.711 38.000 0.183 0.000 1.018 542 I HN 0.214 nan 8.210 nan 0.000 0.439 543 Y N 3.669 123.871 120.300 -0.163 0.000 2.895 543 Y HA 0.229 4.777 4.550 -0.002 0.000 0.334 543 Y C 1.522 177.244 175.900 -0.297 0.000 1.261 543 Y CA 1.260 58.970 58.100 -0.649 0.000 1.560 543 Y CB 0.355 38.447 38.460 -0.615 0.000 1.253 543 Y HN 0.455 nan 8.280 nan 0.000 0.582 544 G N 3.391 111.652 108.800 -0.899 0.000 2.162 544 G HA2 -0.314 3.642 3.960 -0.005 0.000 0.260 544 G HA3 -0.314 3.642 3.960 -0.005 0.000 0.260 544 G C 0.230 174.982 174.900 -0.245 0.000 0.976 544 G CA 0.393 45.164 45.100 -0.548 0.000 0.655 544 G HN 0.989 nan 8.290 nan 0.000 0.533 545 S N 0.387 115.981 115.700 -0.177 0.000 2.411 545 S HA 0.672 5.139 4.470 -0.005 0.000 0.304 545 S C 1.641 176.202 174.600 -0.064 0.000 1.098 545 S CA 0.659 58.812 58.200 -0.079 0.000 1.068 545 S CB 0.747 63.934 63.200 -0.022 0.000 1.032 545 S HN 1.438 nan 8.310 nan 0.000 0.511 546 A N 5.275 128.056 122.820 -0.065 0.000 1.969 546 A HA 0.174 4.490 4.320 -0.005 0.000 0.218 546 A C 2.321 179.889 177.584 -0.027 0.000 1.169 546 A CA 1.459 53.467 52.037 -0.048 0.000 0.635 546 A CB -1.001 17.967 19.000 -0.053 0.000 0.810 546 A HN 1.079 nan 8.150 nan 0.000 0.445 547 A N 0.053 122.855 122.820 -0.031 0.000 1.902 547 A HA 0.149 4.466 4.320 -0.005 0.000 0.217 547 A C 2.491 180.049 177.584 -0.043 0.000 1.181 547 A CA 2.052 54.066 52.037 -0.039 0.000 0.623 547 A CB -0.970 18.006 19.000 -0.040 0.000 0.818 547 A HN 1.007 nan 8.150 nan 0.000 0.443 548 A N -0.559 122.260 122.820 -0.001 0.000 1.930 548 A HA 0.173 4.489 4.320 -0.005 0.000 0.217 548 A C 2.404 180.099 177.584 0.186 0.000 1.175 548 A CA 1.800 53.874 52.037 0.063 0.000 0.627 548 A CB -1.350 17.739 19.000 0.148 0.000 0.815 548 A HN 0.723 nan 8.150 nan 0.000 0.443 549 G N -0.311 108.573 108.800 0.139 0.000 2.440 549 G HA2 -0.029 3.928 3.960 -0.005 0.000 0.218 549 G HA3 -0.029 3.928 3.960 -0.005 0.000 0.218 549 G C 1.744 176.740 174.900 0.161 0.000 1.154 549 G CA 1.490 46.688 45.100 0.163 0.000 0.767 549 G HN 0.785 nan 8.290 nan 0.000 0.552 550 A N 1.226 124.084 122.820 0.063 0.000 1.908 550 A HA 0.210 4.526 4.320 -0.005 0.000 0.218 550 A C 2.836 180.430 177.584 0.016 0.000 1.181 550 A CA 2.391 54.459 52.037 0.051 0.000 0.627 550 A CB -0.844 18.153 19.000 -0.005 0.000 0.818 550 A HN 0.831 nan 8.150 nan 0.000 0.445 551 A N -1.253 121.475 122.820 -0.152 0.000 1.902 551 A HA -0.016 4.301 4.320 -0.005 0.000 0.217 551 A C 1.964 179.377 177.584 -0.285 0.000 1.181 551 A CA 1.553 53.314 52.037 -0.461 0.000 0.623 551 A CB -0.752 17.582 19.000 -1.111 0.000 0.818 551 A HN 0.458 nan 8.150 nan 0.000 0.443 552 F N -0.722 119.215 119.950 -0.021 0.000 2.134 552 F HA -0.152 4.370 4.527 -0.008 0.000 0.299 552 F C 2.321 178.148 175.800 0.045 0.000 1.097 552 F CA 1.911 59.971 58.000 0.100 0.000 1.264 552 F CB -0.713 38.330 39.000 0.072 0.000 1.001 552 F HN 0.522 nan 8.300 nan 0.000 0.479 553 H N 0.344 119.512 119.070 0.164 0.000 2.352 553 H HA -0.144 4.411 4.556 -0.001 0.000 0.299 553 H C 2.043 177.417 175.328 0.077 0.000 1.097 553 H CA 2.153 58.257 56.048 0.093 0.000 1.311 553 H CB -0.417 29.379 29.762 0.056 0.000 1.377 553 H HN 0.020 nan 8.280 nan 0.000 0.504 554 N N 0.002 118.661 118.700 -0.069 0.000 2.104 554 N HA -0.182 4.555 4.740 -0.005 0.000 0.190 554 N C 2.126 177.605 175.510 -0.051 0.000 1.024 554 N CA 1.679 54.666 53.050 -0.105 0.000 0.853 554 N CB -0.371 38.095 38.487 -0.036 0.000 1.008 554 N HN 0.521 nan 8.380 nan 0.000 0.424 555 M N 0.137 119.748 119.600 0.018 0.000 2.216 555 M HA 0.051 4.527 4.480 -0.005 0.000 0.264 555 M C 1.669 178.012 176.300 0.072 0.000 1.080 555 M CA 0.967 56.313 55.300 0.076 0.000 1.153 555 M CB 0.103 32.772 32.600 0.115 0.000 1.356 555 M HN -0.022 nan 8.290 nan 0.000 0.432 556 L N 0.130 121.357 121.223 0.006 0.000 2.141 556 L HA -0.116 4.221 4.340 -0.005 0.000 0.209 556 L C 2.582 179.606 176.870 0.257 0.000 1.094 556 L CA 1.321 56.156 54.840 -0.008 0.000 0.763 556 L CB -0.839 41.076 42.059 -0.239 0.000 0.908 556 L HN 0.471 nan 8.230 nan 0.000 0.437 557 S N -0.723 115.048 115.700 0.118 0.000 2.474 557 S HA -0.118 4.349 4.470 -0.005 0.000 0.235 557 S C 1.884 176.632 174.600 0.247 0.000 0.997 557 S CA 0.713 59.042 58.200 0.215 0.000 0.949 557 S CB -0.297 62.883 63.200 -0.034 0.000 0.766 557 S HN 0.360 nan 8.310 nan 0.000 0.517 558 M N 1.441 121.133 119.600 0.153 0.000 2.296 558 M HA 0.140 4.617 4.480 -0.005 0.000 0.265 558 M C 1.963 178.281 176.300 0.030 0.000 1.064 558 M CA 0.796 56.138 55.300 0.070 0.000 1.109 558 M CB -1.087 31.531 32.600 0.030 0.000 1.396 558 M HN 0.618 nan 8.290 nan 0.000 0.430 559 G N 0.721 109.633 108.800 0.186 0.000 2.611 559 G HA2 -0.361 3.596 3.960 -0.005 0.000 0.301 559 G HA3 -0.361 3.596 3.960 -0.005 0.000 0.301 559 G C 0.424 175.230 174.900 -0.157 0.000 1.233 559 G CA 0.306 45.404 45.100 -0.004 0.000 0.993 559 G HN 0.644 nan 8.290 nan 0.000 0.553 560 A N -0.004 122.638 122.820 -0.297 0.000 2.507 560 A HA 0.622 4.939 4.320 -0.005 0.000 0.270 560 A C 2.115 179.351 177.584 -0.579 0.000 1.318 560 A CA 1.421 53.275 52.037 -0.306 0.000 0.924 560 A CB -0.371 18.495 19.000 -0.224 0.000 1.061 560 A HN 1.970 nan 8.150 nan 0.000 0.516 561 S N -0.136 115.088 115.700 -0.794 0.000 2.419 561 S HA 0.010 4.477 4.470 -0.005 0.000 0.233 561 S C 0.850 175.018 174.600 -0.720 0.000 1.016 561 S CA 0.713 58.096 58.200 -1.361 0.000 0.974 561 S CB 0.013 62.764 63.200 -0.747 0.000 0.786 561 S HN 0.358 nan 8.310 nan 0.000 0.492 562 K N 1.206 121.369 120.400 -0.395 0.000 2.443 562 K HA 0.548 4.864 4.320 -0.005 0.000 0.251 562 K C -3.281 173.212 176.600 -0.178 0.000 0.972 562 K CA -2.540 53.611 56.287 -0.227 0.000 0.833 562 K CB 1.111 33.522 32.500 -0.149 0.000 1.317 562 K HN -0.054 nan 8.250 nan 0.000 0.441 563 P HA -0.053 nan 4.420 nan 0.000 0.266 563 P C 1.051 178.247 177.300 -0.173 0.000 1.193 563 P CA -0.100 62.908 63.100 -0.152 0.000 0.770 563 P CB 0.214 31.804 31.700 -0.184 0.000 0.836 564 W N 3.586 124.784 121.300 -0.171 0.000 2.331 564 W HA -0.094 4.562 4.660 -0.007 0.000 0.291 564 W C -1.733 174.753 176.519 -0.055 0.000 1.214 564 W CA 1.163 58.343 57.345 -0.275 0.000 1.228 564 W CB -2.968 26.254 29.460 -0.398 0.000 1.135 564 W HN 0.317 nan 8.180 nan 0.000 0.537 565 P HA -0.123 nan 4.420 nan 0.000 0.218 565 P C 1.232 178.494 177.300 -0.064 0.000 1.149 565 P CA 2.121 64.992 63.100 -0.383 0.000 0.817 565 P CB -0.182 31.160 31.700 -0.596 0.000 0.785 566 D N -0.738 119.613 120.400 -0.081 0.000 2.183 566 D HA -0.061 4.575 4.640 -0.005 0.000 0.203 566 D C 1.949 178.286 176.300 0.061 0.000 0.969 566 D CA 1.217 55.208 54.000 -0.015 0.000 0.842 566 D CB -0.478 40.291 40.800 -0.051 0.000 0.957 566 D HN 0.083 nan 8.370 nan 0.000 0.484 567 A N 0.943 123.817 122.820 0.089 0.000 1.898 567 A HA -0.105 4.212 4.320 -0.005 0.000 0.216 567 A C 2.137 179.937 177.584 0.359 0.000 1.181 567 A CA 0.740 52.881 52.037 0.174 0.000 0.620 567 A CB -0.622 18.431 19.000 0.089 0.000 0.819 567 A HN 0.212 nan 8.150 nan 0.000 0.442 568 L N 0.200 121.726 121.223 0.505 0.000 2.083 568 L HA -0.135 4.202 4.340 -0.005 0.000 0.209 568 L C 2.189 179.277 176.870 0.364 0.000 1.083 568 L CA 2.607 57.781 54.840 0.558 0.000 0.752 568 L CB -0.640 41.795 42.059 0.628 0.000 0.899 568 L HN 0.598 nan 8.230 nan 0.000 0.433 569 E N -0.745 119.598 120.200 0.239 0.000 2.110 569 E HA -0.221 4.126 4.350 -0.005 0.000 0.193 569 E C 2.092 178.775 176.600 0.140 0.000 0.988 569 E CA 1.033 57.528 56.400 0.157 0.000 0.804 569 E CB -0.147 29.606 29.700 0.089 0.000 0.745 569 E HN 0.623 nan 8.360 nan 0.000 0.458 570 A N 0.127 123.032 122.820 0.141 0.000 2.019 570 A HA -0.154 4.162 4.320 -0.005 0.000 0.219 570 A C 1.880 179.522 177.584 0.097 0.000 1.164 570 A CA 0.963 53.058 52.037 0.096 0.000 0.644 570 A CB -0.623 18.426 19.000 0.082 0.000 0.805 570 A HN 0.475 nan 8.150 nan 0.000 0.449 571 F N 1.388 121.348 119.950 0.016 0.000 2.118 571 F HA -0.064 4.460 4.527 -0.005 0.000 0.293 571 F C 1.589 177.377 175.800 -0.020 0.000 1.102 571 F CA 1.789 59.754 58.000 -0.057 0.000 1.247 571 F CB 0.190 39.131 39.000 -0.099 0.000 1.017 571 F HN 0.458 nan 8.300 nan 0.000 0.475 572 N N -1.404 117.454 118.700 0.263 0.000 2.081 572 N HA 0.207 4.944 4.740 -0.005 0.000 0.230 572 N C 0.929 176.516 175.510 0.128 0.000 1.351 572 N CA 0.611 53.763 53.050 0.169 0.000 0.840 572 N CB 0.416 39.102 38.487 0.333 0.000 1.189 572 N HN 0.357 nan 8.380 nan 0.000 0.503 573 G N -0.031 108.842 108.800 0.122 0.000 2.205 573 G HA2 -0.311 3.646 3.960 -0.005 0.000 0.261 573 G HA3 -0.311 3.646 3.960 -0.005 0.000 0.261 573 G C -0.273 174.688 174.900 0.103 0.000 0.980 573 G CA 0.445 45.600 45.100 0.091 0.000 0.632 573 G HN 0.501 nan 8.290 nan 0.000 0.533 574 E N -0.683 119.602 120.200 0.142 0.000 2.314 574 E HA 0.689 5.036 4.350 -0.005 0.000 0.262 574 E C 1.111 177.799 176.600 0.147 0.000 1.093 574 E CA -0.654 55.827 56.400 0.135 0.000 0.908 574 E CB 0.683 30.471 29.700 0.147 0.000 1.091 574 E HN 0.298 nan 8.360 nan 0.000 0.425 575 R N 0.718 121.289 120.500 0.118 0.000 2.541 575 R HA 0.318 4.655 4.340 -0.005 0.000 0.332 575 R C -0.269 176.087 176.300 0.094 0.000 0.951 575 R CA -0.065 56.080 56.100 0.075 0.000 1.136 575 R CB 0.577 30.879 30.300 0.003 0.000 1.449 575 R HN 0.400 nan 8.270 nan 0.000 0.531 576 I N 1.278 121.954 120.570 0.177 0.000 2.433 576 I HA 0.293 4.459 4.170 -0.005 0.000 0.292 576 I C -0.090 176.208 176.117 0.302 0.000 1.001 576 I CA -0.887 60.551 61.300 0.231 0.000 1.119 576 I CB 2.065 40.151 38.000 0.144 0.000 1.289 576 I HN -0.077 nan 8.210 nan 0.000 0.438 577 M N 5.576 125.432 119.600 0.427 0.000 2.268 577 M HA 0.158 4.635 4.480 -0.005 0.000 0.349 577 M C -0.282 176.079 176.300 0.101 0.000 1.485 577 M CA 0.903 56.335 55.300 0.220 0.000 1.094 577 M CB 0.371 33.069 32.600 0.163 0.000 1.843 577 M HN 0.677 nan 8.290 nan 0.000 0.460 578 S N 2.727 118.452 115.700 0.041 0.000 2.541 578 S HA 0.669 5.135 4.470 -0.005 0.000 0.280 578 S C 0.518 175.122 174.600 0.007 0.000 1.112 578 S CA -0.397 57.822 58.200 0.032 0.000 0.925 578 S CB 1.696 64.926 63.200 0.051 0.000 1.067 578 S HN 0.876 nan 8.310 nan 0.000 0.479 579 G N 2.495 111.300 108.800 0.008 0.000 2.985 579 G HA2 0.041 3.998 3.960 -0.005 0.000 0.209 579 G HA3 0.041 3.998 3.960 -0.005 0.000 0.209 579 G C 1.077 175.983 174.900 0.011 0.000 1.165 579 G CA 0.044 45.144 45.100 0.001 0.000 0.776 579 G HN 0.721 nan 8.290 nan 0.000 0.541 580 K N 0.651 121.067 120.400 0.027 0.000 2.063 580 K HA -0.040 4.277 4.320 -0.005 0.000 0.208 580 K C 2.668 179.297 176.600 0.048 0.000 1.048 580 K CA 1.359 57.670 56.287 0.041 0.000 0.928 580 K CB -0.203 32.329 32.500 0.052 0.000 0.713 580 K HN 0.182 nan 8.250 nan 0.000 0.442 581 A N 1.418 124.270 122.820 0.054 0.000 1.898 581 A HA -0.134 4.183 4.320 -0.005 0.000 0.216 581 A C 2.133 179.743 177.584 0.043 0.000 1.181 581 A CA 1.392 53.480 52.037 0.085 0.000 0.620 581 A CB -0.552 18.521 19.000 0.121 0.000 0.819 581 A HN 0.504 nan 8.150 nan 0.000 0.442 582 I N -0.594 119.932 120.570 -0.074 0.000 2.286 582 I HA -0.210 3.957 4.170 -0.005 0.000 0.248 582 I C 2.622 178.677 176.117 -0.103 0.000 1.115 582 I CA 1.284 62.339 61.300 -0.409 0.000 1.392 582 I CB -0.134 37.568 38.000 -0.498 0.000 1.065 582 I HN 0.327 nan 8.210 nan 0.000 0.418 583 A N 0.102 122.919 122.820 -0.005 0.000 1.902 583 A HA -0.288 4.029 4.320 -0.005 0.000 0.217 583 A C 2.266 179.902 177.584 0.085 0.000 1.181 583 A CA 1.957 54.031 52.037 0.063 0.000 0.623 583 A CB -0.728 18.297 19.000 0.041 0.000 0.818 583 A HN 0.612 nan 8.150 nan 0.000 0.443 584 E N -1.602 118.636 120.200 0.064 0.000 2.077 584 E HA -0.244 4.103 4.350 -0.005 0.000 0.193 584 E C 1.808 178.425 176.600 0.029 0.000 0.989 584 E CA 1.409 57.848 56.400 0.065 0.000 0.800 584 E CB -0.327 29.422 29.700 0.081 0.000 0.746 584 E HN 0.721 nan 8.360 nan 0.000 0.452 585 Y N -0.515 119.692 120.300 -0.155 0.000 2.128 585 Y HA -0.232 4.314 4.550 -0.006 0.000 0.284 585 Y C 1.433 177.104 175.900 -0.382 0.000 1.154 585 Y CA 1.880 59.788 58.100 -0.320 0.000 1.149 585 Y CB -0.069 38.094 38.460 -0.496 0.000 0.976 585 Y HN 0.060 nan 8.280 nan 0.000 0.505 586 F N -0.091 119.947 119.950 0.147 0.000 2.765 586 F HA 0.111 4.635 4.527 -0.005 0.000 0.302 586 F C 1.976 177.813 175.800 0.063 0.000 1.111 586 F CA 0.491 58.556 58.000 0.108 0.000 1.359 586 F CB -0.312 38.735 39.000 0.078 0.000 1.097 586 F HN 0.056 nan 8.300 nan 0.000 0.577 587 E N 2.141 122.439 120.200 0.164 0.000 2.070 587 E HA -0.199 4.148 4.350 -0.005 0.000 0.197 587 E C -0.589 176.088 176.600 0.129 0.000 1.004 587 E CA 1.897 58.374 56.400 0.127 0.000 0.805 587 E CB -1.332 28.420 29.700 0.087 0.000 0.744 587 E HN 0.148 nan 8.360 nan 0.000 0.451 588 P HA -0.155 nan 4.420 nan 0.000 0.216 588 P C 1.647 179.061 177.300 0.189 0.000 1.150 588 P CA 0.988 64.156 63.100 0.114 0.000 0.837 588 P CB -0.089 31.642 31.700 0.050 0.000 0.786 589 L N 0.120 121.478 121.223 0.225 0.000 2.056 589 L HA -0.049 4.287 4.340 -0.005 0.000 0.207 589 L C 2.821 179.882 176.870 0.319 0.000 1.078 589 L CA 1.704 56.730 54.840 0.310 0.000 0.749 589 L CB -1.042 41.243 42.059 0.378 0.000 0.901 589 L HN -0.244 nan 8.230 nan 0.000 0.433 590 R N -0.792 119.853 120.500 0.241 0.000 2.080 590 R HA -0.163 4.174 4.340 -0.005 0.000 0.236 590 R C 2.080 178.469 176.300 0.148 0.000 1.137 590 R CA 2.266 58.469 56.100 0.172 0.000 0.943 590 R CB -0.510 29.867 30.300 0.130 0.000 0.846 590 R HN 0.351 nan 8.270 nan 0.000 0.431 591 V N -0.051 119.954 119.914 0.152 0.000 2.287 591 V HA -0.279 3.838 4.120 -0.005 0.000 0.248 591 V C 1.976 178.154 176.094 0.139 0.000 1.053 591 V CA 2.179 64.553 62.300 0.123 0.000 1.027 591 V CB -0.724 31.173 31.823 0.122 0.000 0.646 591 V HN 0.580 nan 8.190 nan 0.000 0.447 592 W N 0.165 121.490 121.300 0.043 0.000 2.355 592 W HA -0.181 4.476 4.660 -0.005 0.000 0.309 592 W C 2.180 178.691 176.519 -0.013 0.000 1.206 592 W CA 1.755 59.119 57.345 0.032 0.000 1.284 592 W CB -0.276 29.221 29.460 0.062 0.000 1.145 592 W HN 0.209 nan 8.180 nan 0.000 0.502 593 L N 1.267 122.585 121.223 0.159 0.000 2.056 593 L HA -0.114 4.223 4.340 -0.005 0.000 0.207 593 L C 2.227 178.974 176.870 -0.205 0.000 1.078 593 L CA 2.172 56.964 54.840 -0.081 0.000 0.749 593 L CB -1.087 41.090 42.059 0.196 0.000 0.901 593 L HN 0.070 nan 8.230 nan 0.000 0.433 594 E N -0.434 119.710 120.200 -0.093 0.000 2.058 594 E HA -0.257 4.090 4.350 -0.005 0.000 0.194 594 E C 2.150 178.647 176.600 -0.172 0.000 0.997 594 E CA 1.280 57.623 56.400 -0.097 0.000 0.801 594 E CB -0.306 29.369 29.700 -0.042 0.000 0.746 594 E HN 0.654 nan 8.360 nan 0.000 0.450 595 A N 1.139 123.822 122.820 -0.229 0.000 1.902 595 A HA -0.231 4.086 4.320 -0.005 0.000 0.217 595 A C 2.040 179.400 177.584 -0.373 0.000 1.181 595 A CA 1.700 53.580 52.037 -0.262 0.000 0.623 595 A CB -0.366 18.488 19.000 -0.244 0.000 0.818 595 A HN 0.137 nan 8.150 nan 0.000 0.443 596 E N 0.510 120.330 120.200 -0.633 0.000 2.106 596 E HA -0.144 4.203 4.350 -0.005 0.000 0.192 596 E C 1.774 178.151 176.600 -0.371 0.000 0.984 596 E CA 1.454 57.443 56.400 -0.685 0.000 0.806 596 E CB -0.198 28.693 29.700 -1.349 0.000 0.750 596 E HN 0.550 nan 8.360 nan 0.000 0.458 597 N N 0.017 118.548 118.700 -0.282 0.000 2.188 597 N HA -0.094 4.642 4.740 -0.005 0.000 0.184 597 N C 1.842 177.250 175.510 -0.170 0.000 1.018 597 N CA 1.089 54.042 53.050 -0.162 0.000 0.858 597 N CB -0.147 38.293 38.487 -0.078 0.000 0.989 597 N HN 0.279 nan 8.380 nan 0.000 0.426 598 I N 1.208 121.681 120.570 -0.162 0.000 2.202 598 I HA -0.222 3.944 4.170 -0.005 0.000 0.242 598 I C 2.207 178.243 176.117 -0.135 0.000 1.091 598 I CA 1.009 62.231 61.300 -0.130 0.000 1.368 598 I CB -0.121 37.813 38.000 -0.109 0.000 1.058 598 I HN 0.057 nan 8.210 nan 0.000 0.410 599 K N 0.578 120.882 120.400 -0.160 0.000 2.074 599 K HA -0.174 4.143 4.320 -0.005 0.000 0.209 599 K C 1.345 177.862 176.600 -0.139 0.000 1.048 599 K CA 1.385 57.590 56.287 -0.137 0.000 0.926 599 K CB -0.132 32.276 32.500 -0.152 0.000 0.713 599 K HN 0.363 nan 8.250 nan 0.000 0.444 600 N N 0.797 119.376 118.700 -0.203 0.000 2.270 600 N HA -0.051 4.686 4.740 -0.005 0.000 0.198 600 N C -0.346 174.991 175.510 -0.289 0.000 1.117 600 N CA 0.086 52.968 53.050 -0.281 0.000 0.845 600 N CB 0.399 38.591 38.487 -0.493 0.000 0.980 600 N HN 0.129 nan 8.380 nan 0.000 0.486 601 N N 0.741 119.329 118.700 -0.186 0.000 2.727 601 N HA -0.169 4.567 4.740 -0.005 0.000 0.249 601 N C -1.120 174.310 175.510 -0.132 0.000 1.048 601 N CA 0.192 53.167 53.050 -0.125 0.000 0.714 601 N CB -1.427 37.013 38.487 -0.079 0.000 0.959 601 N HN -0.085 nan 8.380 nan 0.000 0.544 602 V N 1.760 121.566 119.914 -0.180 0.000 2.470 602 V HA 0.050 4.167 4.120 -0.005 0.000 0.276 602 V C 1.003 177.097 176.094 -0.000 0.000 1.040 602 V CA -0.355 61.859 62.300 -0.143 0.000 1.008 602 V CB 0.634 32.354 31.823 -0.172 0.000 0.990 602 V HN 0.461 nan 8.190 nan 0.000 0.477 603 H N 5.889 124.958 119.070 -0.003 0.000 2.886 603 H HA 0.299 4.852 4.556 -0.005 0.000 0.329 603 H C -0.419 174.961 175.328 0.088 0.000 1.044 603 H CA -0.064 56.008 56.048 0.038 0.000 1.456 603 H CB 0.393 30.189 29.762 0.058 0.000 1.464 603 H HN 0.420 nan 8.280 nan 0.000 0.573 604 I N 4.598 124.894 120.570 -0.456 0.000 2.474 604 I HA 0.456 4.623 4.170 -0.005 0.000 0.294 604 I C 0.989 176.903 176.117 -0.338 0.000 1.005 604 I CA 0.351 61.522 61.300 -0.216 0.000 1.113 604 I CB 0.841 38.754 38.000 -0.145 0.000 1.289 604 I HN 0.985 nan 8.210 nan 0.000 0.436 605 G N 5.352 114.122 108.800 -0.051 0.000 2.712 605 G HA2 -0.044 3.913 3.960 -0.005 0.000 0.683 605 G HA3 -0.044 3.913 3.960 -0.005 0.000 0.683 605 G C -1.636 173.390 174.900 0.210 0.000 1.320 605 G CA -0.418 44.570 45.100 -0.187 0.000 0.847 605 G HN 0.971 nan 8.290 nan 0.000 0.553 606 W N -1.185 120.154 121.300 0.065 0.000 3.213 606 W HA 0.738 5.395 4.660 -0.005 0.000 0.318 606 W C 0.372 176.937 176.519 0.076 0.000 1.248 606 W CA -0.741 56.672 57.345 0.113 0.000 1.187 606 W CB 0.378 29.895 29.460 0.095 0.000 1.403 606 W HN 1.188 nan 8.180 nan 0.000 0.556 607 T N -0.692 114.034 114.554 0.286 0.000 2.828 607 T HA 0.390 4.737 4.350 -0.005 0.000 0.290 607 T C 0.325 175.172 174.700 0.245 0.000 1.019 607 T CA -0.304 61.899 62.100 0.172 0.000 1.031 607 T CB 0.743 69.677 68.868 0.111 0.000 1.001 607 T HN 0.561 nan 8.240 nan 0.000 0.531 608 T N 2.599 117.246 114.554 0.155 0.000 2.928 608 T HA 0.212 4.559 4.350 -0.005 0.000 0.305 608 T C 0.705 175.481 174.700 0.127 0.000 1.035 608 T CA -0.270 61.925 62.100 0.158 0.000 1.145 608 T CB 0.641 69.569 68.868 0.099 0.000 0.963 608 T HN 0.804 nan 8.240 nan 0.000 0.545 609 S N 2.220 117.994 115.700 0.124 0.000 2.572 609 S HA 0.056 4.523 4.470 -0.005 0.000 0.279 609 S C 0.978 175.597 174.600 0.031 0.000 1.341 609 S CA -0.672 57.562 58.200 0.057 0.000 1.043 609 S CB 0.121 63.340 63.200 0.033 0.000 0.887 609 S HN 0.636 nan 8.310 nan 0.000 0.516 610 N N 2.939 121.634 118.700 -0.007 0.000 2.238 610 N HA 0.141 4.878 4.740 -0.005 0.000 0.222 610 N C 0.217 175.697 175.510 -0.049 0.000 1.133 610 N CA -0.277 52.765 53.050 -0.014 0.000 0.854 610 N CB 0.500 38.978 38.487 -0.015 0.000 1.041 610 N HN 0.472 nan 8.380 nan 0.000 0.510 611 K N 0.220 120.566 120.400 -0.090 0.000 2.444 611 K HA 0.116 4.433 4.320 -0.005 0.000 0.193 611 K C 0.066 176.576 176.600 -0.150 0.000 1.024 611 K CA 0.013 56.198 56.287 -0.170 0.000 1.077 611 K CB -0.006 32.314 32.500 -0.300 0.000 0.833 611 K HN 0.055 nan 8.250 nan 0.000 0.517 612 c N 1.738 120.314 118.600 -0.040 0.000 2.316 612 c HA 0.378 4.945 4.570 -0.005 0.000 0.324 612 c C -0.103 174.031 174.090 0.074 0.000 1.226 612 c CA -0.788 55.570 56.329 0.049 0.000 1.450 612 c CB -0.007 42.611 42.510 0.180 0.000 2.123 612 c HN -0.003 nan 8.230 nan 0.000 0.454 613 V N 6.968 126.921 119.914 0.065 0.000 2.455 613 V HA 0.266 4.382 4.120 -0.005 0.000 0.273 613 V C 0.827 176.976 176.094 0.092 0.000 1.045 613 V CA 0.440 62.778 62.300 0.064 0.000 0.976 613 V CB 1.372 33.222 31.823 0.044 0.000 0.993 613 V HN 1.021 nan 8.190 nan 0.000 0.475 614 S N 0.000 115.753 115.700 0.088 0.000 2.498 614 S HA 0.000 4.467 4.470 -0.005 0.000 0.327 614 S CA 0.000 58.258 58.200 0.097 0.000 1.107 614 S CB 0.000 63.256 63.200 0.094 0.000 0.593 614 S HN 0.000 nan 8.310 nan 0.000 0.517