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 3lpp_1_A DATA FIRST_RESID 28 DATA SEQUENCE RKcPNVLNDP VNVRINcIPE QFPTEGIcAQ RGccWRPWND SLIPWcFFVD DATA SEQUENCE NHGYNVQDMT TTSIGVEAKL NRIPSPTLFG NDINSVLFTT QNQTPNRFRF DATA SEQUENCE KITDPNNRRY EVPHQYVKEF TGPTVSDTLY DVKVAQNPFS IQVIRKSNGK DATA SEQUENCE TLFDTSIGPL VYSDQYLQIS ARLPSDYIYG IGEQVHKRFR HDLSWKTWPI DATA SEQUENCE FTRDQLPGDN NNNLYGHQTF FMCIEDTSGK SFGVFLMNSN AMEIFIQPTP DATA SEQUENCE IVTYRVTGGI LDFYILLGDT PEQVVQQYQQ LVGLPAMPAY WNLGFQLSRW DATA SEQUENCE NYKSLDVVKE VVRRNREAGI PFDTQVTDID YMEDKKDFTY DQVAFNGLPQ DATA SEQUENCE FVQDLHDHGQ KYVIILDPAI SIGRRANGTT YATYERGNTQ HVWINESDGS DATA SEQUENCE TPIIGEVWPG LTVYPDFTNP NCIDWWANEC SIFHQEVQYD GLWIDMNEVS DATA SEQUENCE SFIQGSTKGC NVNKLNYPPF TPDILDKLMY SKTICMDAVQ NWGKQYDVHS DATA SEQUENCE LYGYSMAIAT EQAVQKVFPN KRSFILTRST FAGSGRHAAH WLGDNTASWE DATA SEQUENCE QMEWSITGML EFSLFGIPLV GADIcGFVAE TTEELcRRWM QLGAFYPFSR DATA SEQUENCE NHNSDGYEHQ DPAFFGQNSL LVKSSRQYLT IRYTLLPFLY TLFYKAHVFG DATA SEQUENCE ETVARPVLHE FYEDTNSWIE DTEFLWGPAL LITPVLKQGA DTVSAYIPDA DATA SEQUENCE IWYDYESGAK RPWRKQRVDM YLPADKIGLH LRGGYIIPIQ EPDVTTTASR DATA SEQUENCE KNPLGLIVAL GENNTAKGDF FWDDGETKDT IQNGNYILYT FSVSNNTLDI DATA SEQUENCE VCTHSSYQEG TTLAFQTVKI LGLTDSVTEV RVAENNQPMN AHSNFTYDAS DATA SEQUENCE NQVLLIADLK LNLGRNFSVQ W 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 28 R HA 0.000 nan 4.340 nan 0.000 0.208 28 R C 0.000 176.293 176.300 -0.012 0.000 0.893 28 R CA 0.000 56.095 56.100 -0.008 0.000 0.921 28 R CB 0.000 30.299 30.300 -0.002 0.000 0.687 29 K N -0.019 120.367 120.400 -0.022 0.000 2.323 29 K HA 0.222 4.539 4.320 -0.006 0.000 0.197 29 K C 0.629 177.192 176.600 -0.062 0.000 1.043 29 K CA 0.769 57.033 56.287 -0.037 0.000 0.997 29 K CB 0.505 32.975 32.500 -0.050 0.000 0.807 29 K HN 0.374 nan 8.250 nan 0.000 0.497 30 c N 1.831 120.404 118.600 -0.045 0.000 2.349 30 c HA 0.422 4.989 4.570 -0.006 0.000 0.361 30 c C -2.050 172.056 174.090 0.025 0.000 1.189 30 c CA -1.815 54.489 56.329 -0.042 0.000 2.155 30 c CB 0.894 43.393 42.510 -0.019 0.000 2.336 30 c HN 0.311 nan 8.230 nan 0.000 0.540 31 P HA 0.109 nan 4.420 nan 0.000 0.270 31 P C -0.142 177.197 177.300 0.065 0.000 1.227 31 P CA 0.281 63.439 63.100 0.098 0.000 0.788 31 P CB 0.562 32.354 31.700 0.153 0.000 0.926 32 N N -0.895 117.836 118.700 0.051 0.000 2.270 32 N HA -0.040 4.697 4.740 -0.006 0.000 0.181 32 N C 0.470 176.003 175.510 0.037 0.000 1.016 32 N CA 0.481 53.553 53.050 0.037 0.000 0.870 32 N CB -0.131 38.373 38.487 0.028 0.000 0.979 32 N HN 0.175 nan 8.380 nan 0.000 0.431 33 V N 0.913 120.854 119.914 0.044 0.000 2.539 33 V HA 0.196 4.313 4.120 -0.006 0.000 0.292 33 V C 0.961 177.087 176.094 0.053 0.000 1.045 33 V CA -0.416 61.908 62.300 0.041 0.000 0.945 33 V CB 1.305 33.148 31.823 0.034 0.000 0.993 33 V HN 0.139 nan 8.190 nan 0.000 0.464 34 L N 4.333 125.585 121.223 0.048 0.000 2.217 34 L HA 0.135 4.472 4.340 -0.006 0.000 0.211 34 L C 0.744 177.656 176.870 0.071 0.000 1.107 34 L CA 0.652 55.526 54.840 0.057 0.000 0.783 34 L CB -0.170 41.915 42.059 0.044 0.000 0.919 34 L HN 0.677 nan 8.230 nan 0.000 0.442 35 N N 1.196 119.934 118.700 0.063 0.000 3.114 35 N HA 0.079 4.816 4.740 -0.006 0.000 0.289 35 N C -0.824 174.708 175.510 0.037 0.000 1.519 35 N CA -0.112 52.983 53.050 0.076 0.000 1.026 35 N CB 0.308 38.845 38.487 0.083 0.000 1.306 35 N HN 0.288 nan 8.380 nan 0.000 0.495 36 D N 0.419 120.827 120.400 0.013 0.000 2.382 36 D HA 0.086 4.722 4.640 -0.006 0.000 0.240 36 D C -2.156 174.076 176.300 -0.114 0.000 1.146 36 D CA -0.913 53.068 54.000 -0.030 0.000 0.897 36 D CB 0.799 41.593 40.800 -0.009 0.000 1.197 36 D HN 0.109 nan 8.370 nan 0.000 0.432 37 P HA -0.047 nan 4.420 nan 0.000 0.264 37 P C 1.343 178.503 177.300 -0.233 0.000 1.236 37 P CA -0.290 62.730 63.100 -0.133 0.000 0.811 37 P CB 0.873 32.526 31.700 -0.079 0.000 0.840 38 V N 1.474 121.183 119.914 -0.342 0.000 2.515 38 V HA -0.223 3.894 4.120 -0.006 0.000 0.250 38 V C 1.665 177.630 176.094 -0.214 0.000 1.058 38 V CA 1.507 63.506 62.300 -0.501 0.000 1.064 38 V CB -1.547 29.716 31.823 -0.934 0.000 0.675 38 V HN 0.323 nan 8.190 nan 0.000 0.461 39 N N 1.209 119.864 118.700 -0.074 0.000 2.519 39 N HA -0.049 4.687 4.740 -0.006 0.000 0.186 39 N C 1.400 176.899 175.510 -0.018 0.000 1.062 39 N CA 1.250 54.328 53.050 0.047 0.000 0.910 39 N CB 0.025 38.492 38.487 -0.034 0.000 0.958 39 N HN 0.691 nan 8.380 nan 0.000 0.445 40 V N -2.092 117.786 119.914 -0.060 0.000 3.483 40 V HA 0.251 4.368 4.120 -0.006 0.000 0.301 40 V C 0.429 176.509 176.094 -0.023 0.000 1.389 40 V CA -0.330 61.942 62.300 -0.047 0.000 1.101 40 V CB -0.280 31.512 31.823 -0.052 0.000 0.971 40 V HN 0.056 nan 8.190 nan 0.000 0.434 41 R N 1.663 122.110 120.500 -0.089 0.000 2.449 41 R HA 0.369 4.706 4.340 -0.006 0.000 0.296 41 R C -0.665 175.718 176.300 0.138 0.000 1.047 41 R CA -0.149 55.867 56.100 -0.139 0.000 1.018 41 R CB 0.630 30.608 30.300 -0.538 0.000 0.962 41 R HN 0.269 nan 8.270 nan 0.000 0.428 42 I N 3.234 123.961 120.570 0.262 0.000 2.312 42 I HA 0.058 4.225 4.170 -0.006 0.000 0.290 42 I C 0.359 176.696 176.117 0.367 0.000 1.008 42 I CA -1.090 60.407 61.300 0.330 0.000 1.226 42 I CB 0.709 38.918 38.000 0.347 0.000 1.371 42 I HN 0.478 nan 8.210 nan 0.000 0.468 43 N N 4.601 123.435 118.700 0.222 0.000 2.414 43 N HA -0.099 4.638 4.740 -0.006 0.000 0.268 43 N C 0.865 176.373 175.510 -0.003 0.000 1.286 43 N CA 0.304 53.395 53.050 0.067 0.000 0.896 43 N CB 0.530 38.974 38.487 -0.072 0.000 1.093 43 N HN 0.779 nan 8.380 nan 0.000 0.480 44 c N 4.457 122.868 118.600 -0.314 0.000 2.696 44 c HA 0.352 4.919 4.570 -0.006 0.000 0.264 44 c C 0.881 174.735 174.090 -0.395 0.000 1.288 44 c CA -0.221 55.618 56.329 -0.817 0.000 1.717 44 c CB -0.920 40.916 42.510 -1.123 0.000 1.893 44 c HN 0.695 nan 8.230 nan 0.000 0.577 45 I N 2.440 122.889 120.570 -0.202 0.000 2.905 45 I HA 0.245 4.411 4.170 -0.006 0.000 0.297 45 I C -1.577 174.502 176.117 -0.065 0.000 1.358 45 I CA -1.126 60.099 61.300 -0.125 0.000 0.975 45 I CB 0.977 38.917 38.000 -0.100 0.000 1.857 45 I HN 0.125 nan 8.210 nan 0.000 0.612 46 P HA -0.137 nan 4.420 nan 0.000 0.225 46 P C 0.953 178.312 177.300 0.098 0.000 1.156 46 P CA 1.294 64.398 63.100 0.007 0.000 0.787 46 P CB 0.337 32.076 31.700 0.064 0.000 0.802 47 E N 0.844 121.162 120.200 0.196 0.000 2.460 47 E HA 0.000 4.347 4.350 -0.006 0.000 0.200 47 E C 0.668 177.344 176.600 0.126 0.000 1.011 47 E CA 0.244 56.790 56.400 0.243 0.000 0.912 47 E CB 0.073 30.033 29.700 0.433 0.000 0.953 47 E HN 0.455 nan 8.360 nan 0.000 0.494 48 Q N -0.695 119.156 119.800 0.085 0.000 2.553 48 Q HA 0.393 4.730 4.340 -0.006 0.000 0.293 48 Q C -1.126 174.908 176.000 0.057 0.000 1.038 48 Q CA -1.093 54.758 55.803 0.079 0.000 0.777 48 Q CB 0.708 29.498 28.738 0.086 0.000 1.487 48 Q HN -0.045 nan 8.270 nan 0.000 0.426 49 F N 3.622 123.548 119.950 -0.041 0.000 2.571 49 F HA 0.227 4.758 4.527 0.007 0.000 0.384 49 F C -1.937 173.852 175.800 -0.017 0.000 1.058 49 F CA -1.564 56.391 58.000 -0.075 0.000 1.200 49 F CB 0.626 39.587 39.000 -0.064 0.000 1.077 49 F HN 0.374 nan 8.300 nan 0.000 0.558 50 P HA 0.037 nan 4.420 nan 0.000 0.264 50 P C -0.628 176.645 177.300 -0.045 0.000 1.193 50 P CA 0.018 62.952 63.100 -0.277 0.000 0.763 50 P CB 1.088 32.641 31.700 -0.245 0.000 0.810 51 T N 0.515 115.094 114.554 0.042 0.000 2.900 51 T HA 0.140 4.487 4.350 -0.006 0.000 0.295 51 T C 1.013 175.352 174.700 -0.603 0.000 1.044 51 T CA -0.535 61.489 62.100 -0.127 0.000 0.995 51 T CB 1.572 70.410 68.868 -0.050 0.000 1.072 51 T HN 0.441 nan 8.240 nan 0.000 0.473 52 E N 2.308 121.827 120.200 -1.135 0.000 2.077 52 E HA -0.064 4.283 4.350 -0.006 0.000 0.193 52 E C 1.919 178.136 176.600 -0.640 0.000 0.989 52 E CA 1.662 57.195 56.400 -1.445 0.000 0.800 52 E CB -0.525 28.364 29.700 -1.352 0.000 0.746 52 E HN 0.856 nan 8.360 nan 0.000 0.452 53 G N 1.288 109.846 108.800 -0.403 0.000 2.421 53 G HA2 -0.225 3.731 3.960 -0.006 0.000 0.216 53 G HA3 -0.225 3.731 3.960 -0.006 0.000 0.216 53 G C 1.483 176.268 174.900 -0.191 0.000 1.171 53 G CA 0.725 45.681 45.100 -0.241 0.000 0.775 53 G HN 0.189 nan 8.290 nan 0.000 0.543 54 I N 0.684 121.148 120.570 -0.177 0.000 2.226 54 I HA -0.093 4.074 4.170 -0.006 0.000 0.245 54 I C 2.930 178.960 176.117 -0.144 0.000 1.100 54 I CA 0.117 61.335 61.300 -0.138 0.000 1.374 54 I CB -1.338 36.597 38.000 -0.110 0.000 1.057 54 I HN 0.246 nan 8.210 nan 0.000 0.413 55 c N 0.870 119.379 118.600 -0.151 0.000 2.413 55 c HA -0.143 4.423 4.570 -0.006 0.000 0.276 55 c C 3.150 177.174 174.090 -0.109 0.000 1.248 55 c CA 1.163 57.432 56.329 -0.099 0.000 1.742 55 c CB -1.182 41.353 42.510 0.041 0.000 2.017 55 c HN 0.571 nan 8.230 nan 0.000 0.481 56 A N -0.574 122.159 122.820 -0.145 0.000 1.902 56 A HA -0.249 4.067 4.320 -0.006 0.000 0.217 56 A C 2.218 179.749 177.584 -0.089 0.000 1.181 56 A CA 1.827 53.795 52.037 -0.115 0.000 0.623 56 A CB -0.942 17.975 19.000 -0.138 0.000 0.818 56 A HN 0.812 nan 8.150 nan 0.000 0.443 57 Q N -0.489 119.253 119.800 -0.097 0.000 2.291 57 Q HA -0.112 4.225 4.340 -0.006 0.000 0.205 57 Q C 1.763 177.725 176.000 -0.063 0.000 0.970 57 Q CA 1.222 56.978 55.803 -0.078 0.000 0.876 57 Q CB -0.059 28.628 28.738 -0.085 0.000 0.935 57 Q HN 0.663 nan 8.270 nan 0.000 0.455 58 R N -0.969 119.489 120.500 -0.070 0.000 2.300 58 R HA 0.117 4.453 4.340 -0.006 0.000 0.199 58 R C 0.807 177.157 176.300 0.083 0.000 0.920 58 R CA 0.509 56.594 56.100 -0.024 0.000 1.046 58 R CB 0.487 30.706 30.300 -0.134 0.000 0.984 58 R HN 0.409 nan 8.270 nan 0.000 0.493 59 G N 1.118 109.925 108.800 0.011 0.000 2.198 59 G HA2 -0.286 3.670 3.960 -0.006 0.000 0.257 59 G HA3 -0.286 3.670 3.960 -0.006 0.000 0.257 59 G C 0.134 175.059 174.900 0.042 0.000 1.042 59 G CA 0.093 45.204 45.100 0.018 0.000 0.791 59 G HN 0.332 nan 8.290 nan 0.000 0.502 60 c N -1.310 117.268 118.600 -0.037 0.000 2.547 60 c HA 0.806 5.373 4.570 -0.006 0.000 0.411 60 c C 1.323 175.303 174.090 -0.183 0.000 1.424 60 c CA -0.309 55.939 56.329 -0.135 0.000 1.848 60 c CB 1.568 43.898 42.510 -0.300 0.000 2.062 60 c HN 0.847 nan 8.230 nan 0.000 0.504 61 c N 2.413 120.779 118.600 -0.389 0.000 2.307 61 c HA 0.518 5.085 4.570 -0.006 0.000 0.340 61 c C -0.280 173.622 174.090 -0.313 0.000 1.275 61 c CA -0.504 55.547 56.329 -0.465 0.000 1.811 61 c CB -0.844 41.148 42.510 -0.862 0.000 2.372 61 c HN 0.880 nan 8.230 nan 0.000 0.531 62 W N 7.926 129.092 121.300 -0.224 0.000 2.308 62 W HA 0.527 5.182 4.660 -0.009 0.000 0.311 62 W C -0.494 176.032 176.519 0.012 0.000 1.088 62 W CA -0.526 56.774 57.345 -0.075 0.000 1.309 62 W CB 0.472 29.895 29.460 -0.062 0.000 1.229 62 W HN 0.742 nan 8.180 nan 0.000 0.427 63 R N 6.454 126.732 120.500 -0.371 0.000 2.855 63 R HA 0.218 4.555 4.340 -0.006 0.000 0.261 63 R C -2.505 173.487 176.300 -0.513 0.000 1.826 63 R CA -1.494 54.421 56.100 -0.308 0.000 1.435 63 R CB 1.617 31.979 30.300 0.103 0.000 1.383 63 R HN 0.174 nan 8.270 nan 0.000 0.583 64 P HA 0.008 nan 4.420 nan 0.000 0.269 64 P C -0.719 176.076 177.300 -0.841 0.000 1.215 64 P CA -0.154 62.078 63.100 -1.447 0.000 0.780 64 P CB 0.930 31.685 31.700 -1.575 0.000 0.898 65 W N 2.415 123.033 121.300 -1.137 0.000 2.929 65 W HA 0.198 4.854 4.660 -0.006 0.000 0.345 65 W C 1.006 177.387 176.519 -0.230 0.000 1.151 65 W CA -0.640 56.455 57.345 -0.417 0.000 1.111 65 W CB 1.679 31.044 29.460 -0.157 0.000 1.449 65 W HN 0.321 nan 8.180 nan 0.000 0.572 66 N N 0.951 119.115 118.700 -0.893 0.000 2.310 66 N HA -0.257 4.480 4.740 -0.006 0.000 0.193 66 N C -0.191 175.267 175.510 -0.087 0.000 1.001 66 N CA 2.267 54.959 53.050 -0.597 0.000 0.890 66 N CB -0.009 37.930 38.487 -0.914 0.000 0.972 66 N HN 0.467 nan 8.380 nan 0.000 0.445 67 D N -3.650 116.888 120.400 0.230 0.000 2.768 67 D HA 0.115 4.752 4.640 -0.006 0.000 0.327 67 D C 0.036 176.560 176.300 0.374 0.000 1.302 67 D CA -0.504 53.662 54.000 0.277 0.000 0.897 67 D CB 0.192 41.094 40.800 0.170 0.000 1.420 67 D HN -0.138 nan 8.370 nan 0.000 0.494 68 S N -1.132 114.645 115.700 0.128 0.000 2.556 68 S HA 0.173 4.640 4.470 -0.006 0.000 0.216 68 S C 1.417 175.876 174.600 -0.234 0.000 0.970 68 S CA -0.338 57.797 58.200 -0.110 0.000 0.912 68 S CB -0.559 62.593 63.200 -0.081 0.000 0.790 68 S HN 0.463 nan 8.310 nan 0.000 0.504 69 L N 0.231 121.305 121.223 -0.248 0.000 2.049 69 L HA 0.281 4.618 4.340 -0.006 0.000 0.203 69 L C 0.438 176.650 176.870 -1.097 0.000 1.074 69 L CA 0.446 54.949 54.840 -0.562 0.000 0.749 69 L CB -0.413 41.305 42.059 -0.568 0.000 0.907 69 L HN 0.268 nan 8.230 nan 0.000 0.439 70 I N 0.969 120.990 120.570 -0.915 0.000 2.618 70 I HA 0.062 4.229 4.170 -0.006 0.000 0.284 70 I C -2.030 173.804 176.117 -0.470 0.000 1.146 70 I CA -1.884 58.850 61.300 -0.944 0.000 1.425 70 I CB -0.027 37.542 38.000 -0.717 0.000 1.383 70 I HN -0.169 nan 8.210 nan 0.000 0.562 71 P HA -0.052 nan 4.420 nan 0.000 0.268 71 P C -0.299 177.059 177.300 0.097 0.000 1.204 71 P CA -0.015 62.991 63.100 -0.157 0.000 0.768 71 P CB 0.276 31.943 31.700 -0.056 0.000 0.842 72 W N 1.784 122.952 121.300 -0.219 0.000 2.576 72 W HA 0.149 4.803 4.660 -0.009 0.000 0.275 72 W C 0.607 177.002 176.519 -0.207 0.000 1.241 72 W CA -0.054 57.080 57.345 -0.351 0.000 1.328 72 W CB -0.604 28.493 29.460 -0.606 0.000 1.092 72 W HN 0.249 nan 8.180 nan 0.000 0.586 73 c N 2.477 121.202 118.600 0.208 0.000 2.322 73 c HA 0.677 5.243 4.570 -0.006 0.000 0.324 73 c C -0.388 173.770 174.090 0.114 0.000 1.249 73 c CA -1.055 55.376 56.329 0.170 0.000 1.453 73 c CB -1.599 41.013 42.510 0.170 0.000 2.145 73 c HN 0.104 nan 8.230 nan 0.000 0.466 74 F N 2.895 122.781 119.950 -0.106 0.000 2.629 74 F HA 0.702 5.225 4.527 -0.007 0.000 0.316 74 F C -0.140 175.591 175.800 -0.114 0.000 1.081 74 F CA -1.218 56.713 58.000 -0.116 0.000 0.954 74 F CB 0.639 39.633 39.000 -0.011 0.000 1.337 74 F HN 0.377 nan 8.300 nan 0.000 0.474 75 F N 0.731 120.756 119.950 0.126 0.000 2.234 75 F HA 0.082 4.607 4.527 -0.004 0.000 0.296 75 F C 1.605 177.440 175.800 0.058 0.000 1.089 75 F CA 1.368 59.397 58.000 0.048 0.000 1.343 75 F CB -0.203 38.837 39.000 0.068 0.000 1.040 75 F HN 0.435 nan 8.300 nan 0.000 0.498 76 V N -0.545 119.569 119.914 0.334 0.000 0.690 76 V HA -0.451 3.666 4.120 -0.006 0.000 0.092 76 V C 0.068 176.283 176.094 0.203 0.000 0.782 76 V CA 1.518 63.961 62.300 0.238 0.000 3.099 76 V CB -1.155 30.737 31.823 0.114 0.000 0.190 76 V HN 0.256 nan 8.190 nan 0.000 0.089 77 D N 0.381 120.868 120.400 0.144 0.000 2.788 77 D HA 0.239 4.876 4.640 -0.006 0.000 0.289 77 D C 0.892 177.262 176.300 0.118 0.000 1.340 77 D CA -0.108 53.962 54.000 0.117 0.000 0.831 77 D CB 0.019 40.860 40.800 0.068 0.000 1.103 77 D HN 0.525 nan 8.370 nan 0.000 0.476 78 N N 0.021 118.838 118.700 0.196 0.000 2.368 78 N HA -0.042 4.694 4.740 -0.006 0.000 0.176 78 N C 0.198 175.758 175.510 0.083 0.000 1.021 78 N CA 0.710 53.851 53.050 0.151 0.000 0.888 78 N CB 0.482 39.092 38.487 0.205 0.000 0.995 78 N HN 0.340 nan 8.380 nan 0.000 0.437 79 H N -1.108 118.045 119.070 0.138 0.000 2.651 79 H HA 0.707 5.260 4.556 -0.005 0.000 0.353 79 H C 0.846 176.182 175.328 0.013 0.000 1.178 79 H CA 0.077 56.172 56.048 0.079 0.000 1.224 79 H CB 1.855 31.709 29.762 0.153 0.000 1.702 79 H HN 0.212 nan 8.280 nan 0.000 0.550 80 G N -0.499 108.352 108.800 0.086 0.000 2.339 80 G HA2 0.100 4.057 3.960 -0.006 0.000 0.275 80 G HA3 0.100 4.057 3.960 -0.006 0.000 0.275 80 G C -2.114 172.764 174.900 -0.037 0.000 1.323 80 G CA -0.907 44.269 45.100 0.126 0.000 0.927 80 G HN 0.400 nan 8.290 nan 0.000 0.486 81 Y N 0.357 120.711 120.300 0.090 0.000 2.545 81 Y HA 0.678 5.224 4.550 -0.006 0.000 0.348 81 Y C 0.124 176.067 175.900 0.072 0.000 1.002 81 Y CA -0.994 57.138 58.100 0.053 0.000 1.039 81 Y CB 2.448 40.900 38.460 -0.013 0.000 1.271 81 Y HN 0.495 nan 8.280 nan 0.000 0.467 82 N N 0.398 119.189 118.700 0.153 0.000 2.370 82 N HA 0.443 5.180 4.740 -0.006 0.000 0.303 82 N C -1.217 174.354 175.510 0.102 0.000 1.103 82 N CA -0.617 52.501 53.050 0.113 0.000 0.848 82 N CB 2.304 40.821 38.487 0.050 0.000 1.235 82 N HN 0.269 nan 8.380 nan 0.000 0.496 83 V N 2.705 122.676 119.914 0.096 0.000 2.555 83 V HA 0.056 4.172 4.120 -0.006 0.000 0.286 83 V C 1.164 177.284 176.094 0.043 0.000 1.044 83 V CA 0.161 62.499 62.300 0.064 0.000 1.026 83 V CB 1.172 33.045 31.823 0.083 0.000 0.981 83 V HN 0.563 nan 8.190 nan 0.000 0.480 84 Q N 2.351 122.170 119.800 0.032 0.000 2.462 84 Q HA 0.217 4.553 4.340 -0.006 0.000 0.224 84 Q C 0.206 176.220 176.000 0.025 0.000 0.911 84 Q CA 0.507 56.325 55.803 0.025 0.000 0.925 84 Q CB 0.663 29.413 28.738 0.021 0.000 1.063 84 Q HN 0.923 nan 8.270 nan 0.000 0.572 85 D N -0.560 119.857 120.400 0.028 0.000 2.990 85 D HA 0.452 5.089 4.640 -0.006 0.000 0.227 85 D C -1.497 174.830 176.300 0.045 0.000 1.249 85 D CA -0.200 53.819 54.000 0.031 0.000 0.891 85 D CB 1.589 42.403 40.800 0.023 0.000 1.647 85 D HN -0.111 nan 8.370 nan 0.000 0.530 86 M N 3.106 122.737 119.600 0.052 0.000 2.326 86 M HA 0.548 5.025 4.480 -0.006 0.000 0.292 86 M C -1.539 174.798 176.300 0.061 0.000 1.081 86 M CA -0.220 55.124 55.300 0.073 0.000 0.919 86 M CB 2.018 34.672 32.600 0.090 0.000 1.634 86 M HN 0.580 nan 8.290 nan 0.000 0.451 87 T N -0.145 114.448 114.554 0.065 0.000 2.906 87 T HA 0.574 4.920 4.350 -0.006 0.000 0.295 87 T C -0.422 174.314 174.700 0.060 0.000 1.061 87 T CA -0.788 61.343 62.100 0.052 0.000 1.000 87 T CB 1.737 70.626 68.868 0.036 0.000 1.103 87 T HN 0.535 nan 8.240 nan 0.000 0.486 88 T N 2.982 117.567 114.554 0.052 0.000 2.869 88 T HA 0.579 4.926 4.350 -0.006 0.000 0.295 88 T C 0.813 175.540 174.700 0.045 0.000 0.987 88 T CA -0.421 61.712 62.100 0.056 0.000 1.109 88 T CB 0.808 69.706 68.868 0.050 0.000 0.932 88 T HN 0.979 nan 8.240 nan 0.000 0.518 89 T N -1.256 113.328 114.554 0.050 0.000 2.919 89 T HA 0.387 4.734 4.350 -0.006 0.000 0.282 89 T C 1.692 176.420 174.700 0.048 0.000 1.020 89 T CA -0.296 61.828 62.100 0.040 0.000 0.994 89 T CB 0.983 69.871 68.868 0.034 0.000 1.180 89 T HN 0.411 nan 8.240 nan 0.000 0.566 90 S N 0.179 115.902 115.700 0.038 0.000 2.447 90 S HA -0.049 4.418 4.470 -0.006 0.000 0.233 90 S C 1.643 176.289 174.600 0.076 0.000 1.006 90 S CA 0.989 59.214 58.200 0.042 0.000 0.957 90 S CB -1.040 62.170 63.200 0.017 0.000 0.773 90 S HN 0.843 nan 8.310 nan 0.000 0.507 91 I N -3.329 117.302 120.570 0.102 0.000 4.147 91 I HA 0.698 4.864 4.170 -0.006 0.000 0.329 91 I C 0.794 177.017 176.117 0.178 0.000 1.424 91 I CA -0.334 61.076 61.300 0.183 0.000 1.127 91 I CB 0.641 38.811 38.000 0.284 0.000 1.128 91 I HN 0.350 nan 8.210 nan 0.000 0.417 92 G N 0.791 109.670 108.800 0.132 0.000 2.491 92 G HA2 0.307 4.264 3.960 -0.006 0.000 0.183 92 G HA3 0.307 4.264 3.960 -0.006 0.000 0.183 92 G C -1.607 173.358 174.900 0.108 0.000 1.221 92 G CA -0.109 45.076 45.100 0.142 0.000 0.996 92 G HN -0.066 nan 8.290 nan 0.000 0.474 93 V N 0.678 120.652 119.914 0.099 0.000 3.001 93 V HA 0.774 4.891 4.120 -0.006 0.000 0.314 93 V C -0.918 175.203 176.094 0.045 0.000 1.099 93 V CA -0.613 61.750 62.300 0.106 0.000 0.989 93 V CB 1.961 33.904 31.823 0.199 0.000 1.040 93 V HN 0.702 nan 8.190 nan 0.000 0.434 94 E N 1.873 122.119 120.200 0.076 0.000 2.263 94 E HA 0.701 5.048 4.350 -0.006 0.000 0.268 94 E C -1.135 175.537 176.600 0.121 0.000 0.884 94 E CA -0.571 55.861 56.400 0.053 0.000 0.766 94 E CB 2.262 31.970 29.700 0.013 0.000 1.196 94 E HN 0.777 nan 8.360 nan 0.000 0.416 95 A N 3.319 126.250 122.820 0.185 0.000 2.374 95 A HA 0.480 4.797 4.320 -0.006 0.000 0.305 95 A C -0.681 176.941 177.584 0.063 0.000 1.053 95 A CA -0.818 51.310 52.037 0.153 0.000 0.726 95 A CB 0.972 20.104 19.000 0.220 0.000 1.229 95 A HN 0.457 nan 8.150 nan 0.000 0.431 96 K N 1.903 122.316 120.400 0.022 0.000 2.276 96 K HA 0.517 4.834 4.320 -0.006 0.000 0.283 96 K C -0.996 175.586 176.600 -0.031 0.000 1.044 96 K CA 0.152 56.431 56.287 -0.014 0.000 0.944 96 K CB 0.811 33.309 32.500 -0.002 0.000 1.012 96 K HN 0.591 nan 8.250 nan 0.000 0.472 97 L N 3.012 124.190 121.223 -0.074 0.000 2.341 97 L HA 0.384 4.720 4.340 -0.006 0.000 0.278 97 L C -0.328 176.601 176.870 0.098 0.000 1.005 97 L CA -0.754 54.056 54.840 -0.050 0.000 0.818 97 L CB 1.672 43.566 42.059 -0.275 0.000 1.259 97 L HN 0.649 nan 8.230 nan 0.000 0.418 98 N N 1.756 120.546 118.700 0.150 0.000 2.362 98 N HA 0.374 5.111 4.740 -0.006 0.000 0.298 98 N C -0.803 174.732 175.510 0.041 0.000 1.048 98 N CA -0.902 52.226 53.050 0.130 0.000 0.858 98 N CB 2.226 40.737 38.487 0.040 0.000 1.218 98 N HN 0.469 nan 8.380 nan 0.000 0.488 99 R N 2.733 123.125 120.500 -0.179 0.000 2.442 99 R HA 0.190 4.527 4.340 -0.006 0.000 0.291 99 R C -0.308 175.782 176.300 -0.350 0.000 1.069 99 R CA -0.284 55.384 56.100 -0.720 0.000 1.022 99 R CB 0.303 30.205 30.300 -0.663 0.000 0.976 99 R HN 0.536 nan 8.270 nan 0.000 0.443 100 I N 7.672 128.039 120.570 -0.339 0.000 2.668 100 I HA 0.010 4.176 4.170 -0.006 0.000 0.285 100 I C -1.465 174.536 176.117 -0.193 0.000 1.168 100 I CA -1.330 59.855 61.300 -0.191 0.000 1.424 100 I CB 0.712 38.628 38.000 -0.139 0.000 1.377 100 I HN 0.481 nan 8.210 nan 0.000 0.560 101 P HA 0.065 nan 4.420 nan 0.000 0.244 101 P C -0.513 176.704 177.300 -0.138 0.000 1.769 101 P CA -0.173 62.855 63.100 -0.120 0.000 1.102 101 P CB -0.101 31.551 31.700 -0.081 0.000 1.937 102 S N 2.764 118.346 115.700 -0.197 0.000 2.747 102 S HA 0.802 5.269 4.470 -0.006 0.000 0.300 102 S C -2.607 171.884 174.600 -0.182 0.000 1.121 102 S CA -1.816 56.221 58.200 -0.271 0.000 0.995 102 S CB -0.049 62.792 63.200 -0.599 0.000 1.113 102 S HN 0.035 nan 8.310 nan 0.000 0.547 103 P HA 0.271 nan 4.420 nan 0.000 0.270 103 P C -0.148 177.191 177.300 0.065 0.000 1.223 103 P CA -0.218 62.866 63.100 -0.028 0.000 0.785 103 P CB 0.128 31.823 31.700 -0.008 0.000 0.923 104 T N 0.669 115.253 114.554 0.049 0.000 2.868 104 T HA 0.160 4.506 4.350 -0.006 0.000 0.292 104 T C 1.055 175.757 174.700 0.004 0.000 1.028 104 T CA -0.259 61.883 62.100 0.069 0.000 1.059 104 T CB 0.101 68.999 68.868 0.049 0.000 0.991 104 T HN 0.073 nan 8.240 nan 0.000 0.531 105 L N 2.028 123.216 121.223 -0.058 0.000 2.187 105 L HA 0.436 4.773 4.340 -0.006 0.000 0.197 105 L C 1.193 177.652 176.870 -0.685 0.000 1.090 105 L CA 1.597 56.169 54.840 -0.445 0.000 0.781 105 L CB -0.327 41.424 42.059 -0.514 0.000 0.956 105 L HN 0.750 nan 8.230 nan 0.000 0.463 106 F N -0.777 119.157 119.950 -0.027 0.000 2.724 106 F HA 0.552 5.075 4.527 -0.007 0.000 0.310 106 F C 0.981 176.813 175.800 0.054 0.000 1.107 106 F CA 0.059 58.055 58.000 -0.006 0.000 1.218 106 F CB 0.178 39.154 39.000 -0.040 0.000 1.042 106 F HN 0.133 nan 8.300 nan 0.000 0.540 107 G N 0.786 109.686 108.800 0.167 0.000 2.781 107 G HA2 -0.218 3.739 3.960 -0.006 0.000 0.683 107 G HA3 -0.218 3.739 3.960 -0.006 0.000 0.683 107 G C -0.042 174.958 174.900 0.165 0.000 1.390 107 G CA -0.448 44.735 45.100 0.139 0.000 0.850 107 G HN 0.354 nan 8.290 nan 0.000 0.557 108 N N -0.259 118.520 118.700 0.131 0.000 2.754 108 N HA -0.141 4.596 4.740 -0.006 0.000 0.248 108 N C 0.049 175.658 175.510 0.165 0.000 1.093 108 N CA 1.560 54.689 53.050 0.132 0.000 0.699 108 N CB -0.699 37.865 38.487 0.128 0.000 1.016 108 N HN 0.818 nan 8.380 nan 0.000 0.552 109 D N 0.294 120.796 120.400 0.171 0.000 2.472 109 D HA 0.069 4.705 4.640 -0.006 0.000 0.237 109 D C 0.870 177.298 176.300 0.213 0.000 1.141 109 D CA 0.443 54.571 54.000 0.214 0.000 0.875 109 D CB 0.664 41.573 40.800 0.181 0.000 1.192 109 D HN 0.269 nan 8.370 nan 0.000 0.450 110 I N 3.238 123.987 120.570 0.298 0.000 2.287 110 I HA 0.014 4.181 4.170 -0.006 0.000 0.290 110 I C 1.369 177.655 176.117 0.281 0.000 1.069 110 I CA -0.533 60.928 61.300 0.269 0.000 1.237 110 I CB 0.522 38.722 38.000 0.333 0.000 1.418 110 I HN 0.110 nan 8.210 nan 0.000 0.481 111 N N 2.674 121.482 118.700 0.180 0.000 2.223 111 N HA -0.102 4.634 4.740 -0.006 0.000 0.185 111 N C 0.645 176.263 175.510 0.181 0.000 1.016 111 N CA 0.824 53.958 53.050 0.139 0.000 0.863 111 N CB 0.165 38.691 38.487 0.065 0.000 0.983 111 N HN 0.479 nan 8.380 nan 0.000 0.429 112 S N -0.078 115.702 115.700 0.134 0.000 2.521 112 S HA 0.619 5.086 4.470 -0.006 0.000 0.295 112 S C -1.017 173.573 174.600 -0.017 0.000 1.098 112 S CA -0.566 57.680 58.200 0.077 0.000 0.999 112 S CB 1.269 64.492 63.200 0.038 0.000 1.034 112 S HN -0.159 nan 8.310 nan 0.000 0.483 113 V N 4.303 124.152 119.914 -0.108 0.000 3.049 113 V HA 0.633 4.750 4.120 -0.006 0.000 0.309 113 V C -1.351 174.599 176.094 -0.239 0.000 1.148 113 V CA -0.814 61.305 62.300 -0.301 0.000 0.990 113 V CB 2.203 33.642 31.823 -0.640 0.000 1.039 113 V HN 0.846 nan 8.190 nan 0.000 0.430 114 L N 4.264 125.349 121.223 -0.229 0.000 2.298 114 L HA 0.622 4.959 4.340 -0.006 0.000 0.284 114 L C -1.005 175.798 176.870 -0.111 0.000 1.013 114 L CA -0.072 54.687 54.840 -0.134 0.000 0.824 114 L CB 1.144 43.145 42.059 -0.096 0.000 1.221 114 L HN 0.587 nan 8.230 nan 0.000 0.418 115 F N 4.503 124.317 119.950 -0.228 0.000 2.410 115 F HA 0.684 5.208 4.527 -0.006 0.000 0.349 115 F C -0.350 175.416 175.800 -0.057 0.000 1.117 115 F CA 0.056 57.953 58.000 -0.170 0.000 1.104 115 F CB 1.114 39.945 39.000 -0.281 0.000 1.122 115 F HN 0.508 nan 8.300 nan 0.000 0.483 116 T N 4.067 118.209 114.554 -0.687 0.000 2.886 116 T HA 0.516 4.863 4.350 -0.006 0.000 0.292 116 T C -0.499 173.798 174.700 -0.672 0.000 1.012 116 T CA -0.713 61.069 62.100 -0.530 0.000 0.982 116 T CB 1.579 70.290 68.868 -0.263 0.000 1.018 116 T HN 0.740 nan 8.240 nan 0.000 0.451 117 T N 0.928 115.208 114.554 -0.456 0.000 2.924 117 T HA 0.760 5.107 4.350 -0.006 0.000 0.291 117 T C -1.148 173.441 174.700 -0.184 0.000 1.045 117 T CA -0.886 61.011 62.100 -0.338 0.000 1.015 117 T CB 1.881 70.733 68.868 -0.026 0.000 1.103 117 T HN 0.503 nan 8.240 nan 0.000 0.496 118 Q N 1.393 121.028 119.800 -0.276 0.000 2.263 118 Q HA 0.365 4.701 4.340 -0.006 0.000 0.266 118 Q C -1.109 174.810 176.000 -0.135 0.000 1.002 118 Q CA -0.872 54.846 55.803 -0.142 0.000 0.790 118 Q CB 1.778 30.389 28.738 -0.211 0.000 1.272 118 Q HN 0.588 nan 8.270 nan 0.000 0.435 119 N N 3.148 121.913 118.700 0.107 0.000 2.807 119 N HA 0.027 4.764 4.740 -0.006 0.000 0.259 119 N C 0.345 175.878 175.510 0.040 0.000 1.149 119 N CA 0.282 53.496 53.050 0.274 0.000 1.042 119 N CB 0.748 39.440 38.487 0.342 0.000 1.367 119 N HN 0.609 nan 8.380 nan 0.000 0.516 120 Q N -0.098 119.560 119.800 -0.237 0.000 2.016 120 Q HA -0.059 4.278 4.340 -0.006 0.000 0.200 120 Q C 0.798 176.715 176.000 -0.138 0.000 0.978 120 Q CA 1.119 56.534 55.803 -0.647 0.000 0.833 120 Q CB 0.136 28.454 28.738 -0.700 0.000 0.895 120 Q HN 0.588 nan 8.270 nan 0.000 0.427 121 T N -3.987 110.593 114.554 0.043 0.000 2.864 121 T HA 0.288 4.635 4.350 -0.006 0.000 0.289 121 T C -2.484 172.335 174.700 0.197 0.000 1.082 121 T CA -1.964 60.205 62.100 0.115 0.000 1.009 121 T CB 1.601 70.520 68.868 0.084 0.000 1.234 121 T HN -0.273 nan 8.240 nan 0.000 0.526 122 P HA 0.018 nan 4.420 nan 0.000 0.221 122 P C 0.923 178.332 177.300 0.182 0.000 1.145 122 P CA 0.957 64.091 63.100 0.058 0.000 0.795 122 P CB 0.029 31.741 31.700 0.019 0.000 0.775 123 N N -1.685 117.157 118.700 0.237 0.000 2.220 123 N HA 0.051 4.788 4.740 -0.006 0.000 0.195 123 N C 0.547 176.217 175.510 0.267 0.000 1.123 123 N CA 0.025 53.227 53.050 0.253 0.000 0.874 123 N CB 0.852 39.421 38.487 0.137 0.000 0.995 123 N HN 0.098 nan 8.380 nan 0.000 0.498 124 R N 0.762 121.423 120.500 0.269 0.000 2.451 124 R HA 0.245 4.582 4.340 -0.006 0.000 0.307 124 R C -1.833 174.454 176.300 -0.023 0.000 0.965 124 R CA -0.468 55.694 56.100 0.103 0.000 0.865 124 R CB 0.874 31.214 30.300 0.066 0.000 1.174 124 R HN -0.167 nan 8.270 nan 0.000 0.455 125 F N 3.993 123.694 119.950 -0.416 0.000 2.469 125 F HA 0.557 5.080 4.527 -0.006 0.000 0.332 125 F C -0.926 174.688 175.800 -0.310 0.000 1.103 125 F CA -0.834 56.815 58.000 -0.585 0.000 0.979 125 F CB 1.272 39.643 39.000 -1.048 0.000 1.137 125 F HN 0.408 nan 8.300 nan 0.000 0.463 126 R N 6.548 126.339 120.500 -1.181 0.000 2.621 126 R HA 0.551 4.888 4.340 -0.006 0.000 0.292 126 R C -1.999 173.594 176.300 -1.179 0.000 0.969 126 R CA -0.626 54.789 56.100 -1.142 0.000 0.887 126 R CB 1.578 31.299 30.300 -0.965 0.000 1.180 126 R HN 0.724 nan 8.270 nan 0.000 0.450 127 F N 1.932 121.326 119.950 -0.927 0.000 2.576 127 F HA 0.618 5.141 4.527 -0.006 0.000 0.313 127 F C -1.396 174.177 175.800 -0.379 0.000 1.078 127 F CA -0.947 56.678 58.000 -0.624 0.000 0.921 127 F CB 1.500 40.303 39.000 -0.329 0.000 1.232 127 F HN 0.414 nan 8.300 nan 0.000 0.459 128 K N 3.091 123.360 120.400 -0.218 0.000 2.477 128 K HA 0.781 5.097 4.320 -0.006 0.000 0.255 128 K C -1.953 174.649 176.600 0.004 0.000 0.952 128 K CA -0.850 55.346 56.287 -0.151 0.000 0.826 128 K CB 2.882 35.241 32.500 -0.235 0.000 1.331 128 K HN 0.856 nan 8.250 nan 0.000 0.437 129 I N 2.201 122.824 120.570 0.089 0.000 2.410 129 I HA 0.230 4.397 4.170 -0.006 0.000 0.286 129 I C -0.321 175.772 176.117 -0.040 0.000 1.009 129 I CA -0.412 60.904 61.300 0.026 0.000 1.111 129 I CB 2.088 40.137 38.000 0.081 0.000 1.262 129 I HN 0.877 nan 8.210 nan 0.000 0.443 130 T N 0.230 114.692 114.554 -0.154 0.000 2.926 130 T HA 0.429 4.775 4.350 -0.006 0.000 0.289 130 T C -0.786 173.810 174.700 -0.173 0.000 1.054 130 T CA -0.843 61.209 62.100 -0.079 0.000 1.015 130 T CB 2.235 71.073 68.868 -0.050 0.000 1.167 130 T HN 0.328 nan 8.240 nan 0.000 0.526 131 D N 1.736 122.116 120.400 -0.034 0.000 2.359 131 D HA 0.338 4.975 4.640 -0.006 0.000 0.230 131 D C -1.267 175.022 176.300 -0.019 0.000 1.118 131 D CA -2.516 51.470 54.000 -0.024 0.000 0.844 131 D CB 1.586 42.436 40.800 0.083 0.000 1.059 131 D HN 0.242 nan 8.370 nan 0.000 0.493 132 P HA -0.055 nan 4.420 nan 0.000 0.226 132 P C 0.402 177.698 177.300 -0.006 0.000 1.153 132 P CA 0.631 63.716 63.100 -0.025 0.000 0.777 132 P CB 0.565 32.246 31.700 -0.032 0.000 0.794 133 N N -0.693 118.011 118.700 0.007 0.000 2.254 133 N HA 0.026 4.763 4.740 -0.006 0.000 0.190 133 N C 0.078 175.604 175.510 0.027 0.000 1.107 133 N CA 0.228 53.288 53.050 0.017 0.000 0.869 133 N CB 0.159 38.659 38.487 0.022 0.000 0.983 133 N HN 0.170 nan 8.380 nan 0.000 0.487 134 N N 0.643 119.364 118.700 0.035 0.000 2.500 134 N HA 0.083 4.820 4.740 -0.006 0.000 0.291 134 N C -1.056 174.481 175.510 0.046 0.000 1.092 134 N CA -0.531 52.546 53.050 0.045 0.000 0.890 134 N CB 1.460 39.984 38.487 0.062 0.000 1.466 134 N HN -0.146 nan 8.380 nan 0.000 0.507 135 R N 3.691 124.213 120.500 0.036 0.000 2.488 135 R HA 0.139 4.476 4.340 -0.006 0.000 0.306 135 R C -0.272 176.061 176.300 0.054 0.000 1.271 135 R CA -0.036 56.083 56.100 0.031 0.000 1.022 135 R CB -0.065 30.246 30.300 0.018 0.000 1.054 135 R HN 0.534 nan 8.270 nan 0.000 0.500 136 R N 2.465 123.007 120.500 0.070 0.000 2.707 136 R HA -0.036 4.301 4.340 -0.006 0.000 0.270 136 R C -0.275 176.088 176.300 0.106 0.000 1.083 136 R CA -0.537 55.628 56.100 0.108 0.000 1.182 136 R CB 0.331 30.713 30.300 0.136 0.000 1.084 136 R HN 0.452 nan 8.270 nan 0.000 0.528 137 Y N 1.659 121.981 120.300 0.037 0.000 2.729 137 Y HA -0.106 4.441 4.550 -0.005 0.000 0.331 137 Y C -0.411 175.488 175.900 -0.003 0.000 1.208 137 Y CA 0.686 58.800 58.100 0.023 0.000 1.521 137 Y CB 0.321 38.810 38.460 0.048 0.000 1.233 137 Y HN 0.420 nan 8.280 nan 0.000 0.539 138 E N 5.002 124.781 120.200 -0.701 0.000 2.199 138 E HA 0.325 4.672 4.350 -0.006 0.000 0.269 138 E C -0.992 174.969 176.600 -1.064 0.000 0.899 138 E CA -1.244 54.720 56.400 -0.727 0.000 0.772 138 E CB 2.109 31.600 29.700 -0.348 0.000 1.155 138 E HN 0.467 nan 8.360 nan 0.000 0.408 139 V N 4.645 124.092 119.914 -0.778 0.000 2.475 139 V HA -0.010 4.107 4.120 -0.006 0.000 0.292 139 V C -1.684 174.168 176.094 -0.403 0.000 1.003 139 V CA -0.593 61.399 62.300 -0.513 0.000 1.120 139 V CB -0.358 31.351 31.823 -0.190 0.000 0.937 139 V HN 0.592 nan 8.190 nan 0.000 0.476 140 P HA 0.079 nan 4.420 nan 0.000 0.230 140 P C 0.028 177.000 177.300 -0.546 0.000 1.791 140 P CA -0.130 62.607 63.100 -0.604 0.000 1.020 140 P CB -0.171 30.901 31.700 -1.047 0.000 1.977 141 H N 2.761 121.655 119.070 -0.293 0.000 2.803 141 H HA 0.067 4.620 4.556 -0.006 0.000 0.330 141 H C 0.932 176.272 175.328 0.020 0.000 1.057 141 H CA 0.383 56.383 56.048 -0.080 0.000 1.458 141 H CB 1.059 30.832 29.762 0.018 0.000 1.470 141 H HN 0.202 nan 8.280 nan 0.000 0.560 142 Q N 4.193 123.957 119.800 -0.059 0.000 2.451 142 Q HA -0.101 4.236 4.340 -0.006 0.000 0.206 142 Q C 0.771 176.897 176.000 0.211 0.000 0.947 142 Q CA 0.554 56.404 55.803 0.079 0.000 0.937 142 Q CB 0.204 28.997 28.738 0.091 0.000 1.025 142 Q HN 0.722 nan 8.270 nan 0.000 0.511 143 Y N -0.173 120.291 120.300 0.272 0.000 2.472 143 Y HA 0.122 4.668 4.550 -0.006 0.000 0.288 143 Y C 0.621 176.629 175.900 0.181 0.000 1.154 143 Y CA -0.087 58.164 58.100 0.252 0.000 1.238 143 Y CB 0.565 39.179 38.460 0.257 0.000 1.287 143 Y HN -0.312 nan 8.280 nan 0.000 0.524 144 V N 4.602 124.713 119.914 0.328 0.000 2.493 144 V HA -0.037 4.079 4.120 -0.006 0.000 0.292 144 V C -0.026 176.050 176.094 -0.031 0.000 1.016 144 V CA 0.222 62.528 62.300 0.011 0.000 1.097 144 V CB 0.030 31.787 31.823 -0.110 0.000 0.947 144 V HN 0.181 nan 8.190 nan 0.000 0.479 145 K N 3.363 123.711 120.400 -0.086 0.000 2.087 145 K HA 0.394 4.711 4.320 -0.006 0.000 0.255 145 K C -0.091 176.517 176.600 0.013 0.000 0.988 145 K CA -0.861 55.390 56.287 -0.060 0.000 0.915 145 K CB 1.009 33.451 32.500 -0.097 0.000 1.043 145 K HN 0.594 nan 8.250 nan 0.000 0.457 146 E N 1.176 121.378 120.200 0.003 0.000 2.465 146 E HA -0.026 4.321 4.350 -0.006 0.000 0.260 146 E C -1.118 175.530 176.600 0.080 0.000 0.980 146 E CA 0.417 56.832 56.400 0.025 0.000 0.927 146 E CB 0.101 29.790 29.700 -0.018 0.000 0.934 146 E HN 0.241 nan 8.360 nan 0.000 0.459 147 F N 2.503 122.428 119.950 -0.042 0.000 2.444 147 F HA 0.377 4.901 4.527 -0.005 0.000 0.342 147 F C 0.495 176.274 175.800 -0.035 0.000 1.121 147 F CA -0.387 57.593 58.000 -0.033 0.000 0.997 147 F CB 1.410 40.398 39.000 -0.020 0.000 1.130 147 F HN 0.420 nan 8.300 nan 0.000 0.454 148 T N 1.338 115.433 114.554 -0.765 0.000 3.262 148 T HA 0.634 4.981 4.350 -0.006 0.000 0.300 148 T C 0.163 174.434 174.700 -0.716 0.000 0.959 148 T CA -0.014 61.755 62.100 -0.553 0.000 0.936 148 T CB -0.276 68.429 68.868 -0.271 0.000 1.169 148 T HN 1.285 nan 8.240 nan 0.000 0.532 149 G N 2.043 110.009 108.800 -1.390 0.000 2.359 149 G HA2 0.406 4.363 3.960 -0.006 0.000 0.314 149 G HA3 0.406 4.363 3.960 -0.006 0.000 0.314 149 G C -3.315 171.280 174.900 -0.508 0.000 1.364 149 G CA -0.777 43.885 45.100 -0.731 0.000 0.978 149 G HN 0.234 nan 8.290 nan 0.000 0.615 150 P HA 0.452 nan 4.420 nan 0.000 0.286 150 P C 0.307 177.659 177.300 0.087 0.000 1.261 150 P CA -0.187 62.889 63.100 -0.039 0.000 0.821 150 P CB 1.338 33.040 31.700 0.002 0.000 1.013 151 T N 1.197 115.790 114.554 0.064 0.000 2.849 151 T HA 0.053 4.400 4.350 -0.006 0.000 0.289 151 T C -0.046 174.723 174.700 0.115 0.000 1.010 151 T CA 0.060 62.227 62.100 0.113 0.000 1.161 151 T CB -0.524 68.383 68.868 0.065 0.000 0.989 151 T HN 0.130 nan 8.240 nan 0.000 0.523 152 V N 7.058 127.056 119.914 0.140 0.000 2.333 152 V HA 0.217 4.333 4.120 -0.006 0.000 0.274 152 V C 1.446 177.571 176.094 0.051 0.000 1.028 152 V CA 0.116 62.477 62.300 0.101 0.000 0.851 152 V CB 0.892 32.790 31.823 0.125 0.000 1.000 152 V HN 1.158 nan 8.190 nan 0.000 0.456 153 S N 3.251 118.968 115.700 0.028 0.000 2.338 153 S HA -0.040 4.427 4.470 -0.006 0.000 0.218 153 S C 0.512 175.097 174.600 -0.026 0.000 1.032 153 S CA 0.680 58.883 58.200 0.006 0.000 0.999 153 S CB -0.054 63.150 63.200 0.007 0.000 0.905 153 S HN 0.666 nan 8.310 nan 0.000 0.439 154 D N 2.720 123.098 120.400 -0.036 0.000 2.473 154 D HA 0.414 5.051 4.640 -0.006 0.000 0.226 154 D C -0.178 176.049 176.300 -0.123 0.000 1.089 154 D CA -0.022 53.936 54.000 -0.069 0.000 0.883 154 D CB 1.244 42.017 40.800 -0.045 0.000 1.029 154 D HN 0.570 nan 8.370 nan 0.000 0.517 155 T N -1.230 113.184 114.554 -0.233 0.000 2.922 155 T HA 0.362 4.708 4.350 -0.006 0.000 0.285 155 T C 1.465 175.918 174.700 -0.412 0.000 1.005 155 T CA -0.768 61.050 62.100 -0.469 0.000 1.061 155 T CB 1.136 69.395 68.868 -1.014 0.000 1.007 155 T HN 0.189 nan 8.240 nan 0.000 0.502 156 L N 0.251 121.253 121.223 -0.368 0.000 2.418 156 L HA 0.187 4.523 4.340 -0.006 0.000 0.218 156 L C 0.291 177.084 176.870 -0.128 0.000 1.125 156 L CA 0.064 54.813 54.840 -0.152 0.000 0.835 156 L CB -0.459 41.602 42.059 0.004 0.000 0.953 156 L HN 0.737 nan 8.230 nan 0.000 0.454 157 Y N -2.182 118.086 120.300 -0.053 0.000 2.420 157 Y HA 0.679 5.226 4.550 -0.005 0.000 0.334 157 Y C -0.630 175.185 175.900 -0.143 0.000 1.094 157 Y CA -2.025 56.006 58.100 -0.115 0.000 1.126 157 Y CB 0.652 39.020 38.460 -0.153 0.000 1.217 157 Y HN -0.212 nan 8.280 nan 0.000 0.462 158 D N 1.027 121.411 120.400 -0.026 0.000 2.252 158 D HA 0.622 5.259 4.640 -0.006 0.000 0.245 158 D C -1.575 174.657 176.300 -0.114 0.000 1.009 158 D CA -0.559 53.400 54.000 -0.069 0.000 0.870 158 D CB 2.233 42.990 40.800 -0.073 0.000 1.251 158 D HN 0.505 nan 8.370 nan 0.000 0.460 159 V N 3.601 123.436 119.914 -0.131 0.000 2.483 159 V HA 0.400 4.517 4.120 -0.006 0.000 0.297 159 V C -0.225 175.809 176.094 -0.100 0.000 1.027 159 V CA -0.822 61.357 62.300 -0.202 0.000 0.855 159 V CB 1.688 33.296 31.823 -0.358 0.000 0.995 159 V HN 0.417 nan 8.190 nan 0.000 0.424 160 K N 3.482 123.815 120.400 -0.113 0.000 2.244 160 K HA 0.742 5.058 4.320 -0.006 0.000 0.260 160 K C -1.257 175.268 176.600 -0.126 0.000 0.951 160 K CA -0.717 55.514 56.287 -0.092 0.000 0.826 160 K CB 2.546 34.987 32.500 -0.097 0.000 1.108 160 K HN 0.433 nan 8.250 nan 0.000 0.433 161 V N 2.631 122.486 119.914 -0.099 0.000 2.350 161 V HA 0.330 4.447 4.120 -0.006 0.000 0.285 161 V C -0.009 175.992 176.094 -0.154 0.000 1.014 161 V CA -0.927 61.273 62.300 -0.167 0.000 0.831 161 V CB 1.160 32.953 31.823 -0.050 0.000 1.000 161 V HN 0.905 nan 8.190 nan 0.000 0.433 162 A N 3.820 126.497 122.820 -0.239 0.000 2.322 162 A HA 0.510 4.826 4.320 -0.006 0.000 0.269 162 A C 0.728 178.251 177.584 -0.102 0.000 1.094 162 A CA -0.187 51.755 52.037 -0.159 0.000 0.807 162 A CB 0.709 19.603 19.000 -0.177 0.000 1.047 162 A HN 0.864 nan 8.150 nan 0.000 0.487 163 Q N -0.014 119.766 119.800 -0.034 0.000 2.402 163 Q HA 0.079 4.415 4.340 -0.006 0.000 0.231 163 Q C -0.583 175.439 176.000 0.036 0.000 0.888 163 Q CA 0.546 56.364 55.803 0.025 0.000 0.938 163 Q CB 0.331 29.084 28.738 0.024 0.000 1.086 163 Q HN 0.819 nan 8.270 nan 0.000 0.543 164 N N 1.775 120.480 118.700 0.008 0.000 2.690 164 N HA 0.195 4.932 4.740 -0.006 0.000 0.255 164 N C -2.552 172.958 175.510 -0.000 0.000 1.195 164 N CA -0.750 52.308 53.050 0.013 0.000 0.790 164 N CB 1.520 40.012 38.487 0.008 0.000 1.216 164 N HN 0.098 nan 8.380 nan 0.000 0.528 165 P HA 0.295 nan 4.420 nan 0.000 0.284 165 P C -0.508 176.817 177.300 0.042 0.000 1.292 165 P CA -0.615 62.512 63.100 0.045 0.000 0.800 165 P CB 0.763 32.495 31.700 0.054 0.000 1.188 166 F N 1.486 121.417 119.950 -0.032 0.000 2.602 166 F HA 0.253 4.776 4.527 -0.006 0.000 0.385 166 F C 0.181 175.904 175.800 -0.127 0.000 1.063 166 F CA 0.870 58.811 58.000 -0.098 0.000 1.233 166 F CB 0.233 39.175 39.000 -0.097 0.000 1.067 166 F HN 0.474 nan 8.300 nan 0.000 0.564 167 S N 6.981 122.020 115.700 -1.103 0.000 2.565 167 S HA 0.608 5.075 4.470 -0.006 0.000 0.269 167 S C -1.282 172.661 174.600 -1.096 0.000 1.153 167 S CA -1.098 56.440 58.200 -1.103 0.000 0.835 167 S CB 1.509 64.413 63.200 -0.494 0.000 1.122 167 S HN 0.913 nan 8.310 nan 0.000 0.462 168 I N 0.701 120.781 120.570 -0.815 0.000 2.509 168 I HA 0.586 4.753 4.170 -0.006 0.000 0.293 168 I C -1.317 174.628 176.117 -0.286 0.000 1.020 168 I CA -0.639 60.345 61.300 -0.525 0.000 1.088 168 I CB 2.016 39.702 38.000 -0.523 0.000 1.267 168 I HN 0.911 nan 8.210 nan 0.000 0.430 169 Q N 5.451 125.125 119.800 -0.211 0.000 2.310 169 Q HA 0.527 4.863 4.340 -0.006 0.000 0.270 169 Q C -1.770 174.146 176.000 -0.140 0.000 1.025 169 Q CA -0.629 55.088 55.803 -0.144 0.000 0.772 169 Q CB 2.290 30.941 28.738 -0.144 0.000 1.253 169 Q HN 0.551 nan 8.270 nan 0.000 0.450 170 V N 5.693 125.549 119.914 -0.096 0.000 2.370 170 V HA 0.511 4.627 4.120 -0.006 0.000 0.283 170 V C -0.282 175.720 176.094 -0.155 0.000 1.023 170 V CA -0.467 61.727 62.300 -0.177 0.000 0.857 170 V CB 1.131 32.839 31.823 -0.191 0.000 0.985 170 V HN 0.689 nan 8.190 nan 0.000 0.443 171 I N 4.341 124.829 120.570 -0.137 0.000 2.465 171 I HA 0.521 4.687 4.170 -0.006 0.000 0.291 171 I C 0.236 176.310 176.117 -0.071 0.000 1.014 171 I CA -0.729 60.508 61.300 -0.106 0.000 1.093 171 I CB 1.904 39.852 38.000 -0.087 0.000 1.267 171 I HN 0.519 nan 8.210 nan 0.000 0.431 172 R N 4.944 125.402 120.500 -0.071 0.000 2.296 172 R HA 0.131 4.468 4.340 -0.006 0.000 0.323 172 R C 0.732 177.013 176.300 -0.032 0.000 1.067 172 R CA -0.062 56.018 56.100 -0.033 0.000 0.946 172 R CB 0.601 30.886 30.300 -0.025 0.000 0.991 172 R HN 0.599 nan 8.270 nan 0.000 0.448 173 K N 1.351 121.730 120.400 -0.036 0.000 2.097 173 K HA -0.161 4.156 4.320 -0.006 0.000 0.206 173 K C 1.987 178.569 176.600 -0.030 0.000 1.049 173 K CA 2.023 58.283 56.287 -0.044 0.000 0.933 173 K CB 0.123 32.583 32.500 -0.067 0.000 0.717 173 K HN 0.738 nan 8.250 nan 0.000 0.442 174 S N 1.563 117.251 115.700 -0.020 0.000 2.356 174 S HA -0.175 4.292 4.470 -0.006 0.000 0.223 174 S C 1.434 176.032 174.600 -0.004 0.000 1.032 174 S CA 1.570 59.764 58.200 -0.010 0.000 1.005 174 S CB -0.441 62.759 63.200 -0.001 0.000 0.867 174 S HN 0.439 nan 8.310 nan 0.000 0.449 175 N N 0.356 119.055 118.700 -0.002 0.000 2.187 175 N HA 0.277 5.014 4.740 -0.006 0.000 0.212 175 N C 1.109 176.616 175.510 -0.005 0.000 1.152 175 N CA 0.459 53.511 53.050 0.003 0.000 0.872 175 N CB -0.213 38.283 38.487 0.015 0.000 1.025 175 N HN 0.694 nan 8.380 nan 0.000 0.514 176 G N 0.710 109.500 108.800 -0.017 0.000 2.153 176 G HA2 -0.383 3.573 3.960 -0.006 0.000 0.252 176 G HA3 -0.383 3.573 3.960 -0.006 0.000 0.252 176 G C -0.125 174.757 174.900 -0.030 0.000 0.994 176 G CA 0.625 45.710 45.100 -0.025 0.000 0.698 176 G HN 0.731 nan 8.290 nan 0.000 0.521 177 K N 1.137 121.520 120.400 -0.028 0.000 2.297 177 K HA 0.509 4.825 4.320 -0.006 0.000 0.286 177 K C 0.405 176.963 176.600 -0.069 0.000 1.053 177 K CA -0.102 56.166 56.287 -0.032 0.000 0.940 177 K CB 0.444 32.939 32.500 -0.009 0.000 1.019 177 K HN 0.014 nan 8.250 nan 0.000 0.475 178 T N 6.036 120.546 114.554 -0.073 0.000 2.779 178 T HA 0.141 4.487 4.350 -0.006 0.000 0.296 178 T C 1.129 175.739 174.700 -0.149 0.000 0.938 178 T CA -0.307 61.731 62.100 -0.105 0.000 1.119 178 T CB 0.399 69.215 68.868 -0.087 0.000 0.891 178 T HN 0.564 nan 8.240 nan 0.000 0.526 179 L N 2.111 123.178 121.223 -0.260 0.000 2.221 179 L HA 0.407 4.744 4.340 -0.006 0.000 0.202 179 L C 0.430 177.125 176.870 -0.292 0.000 1.074 179 L CA 0.520 55.021 54.840 -0.565 0.000 0.795 179 L CB 0.149 41.531 42.059 -1.129 0.000 0.960 179 L HN 0.500 nan 8.230 nan 0.000 0.458 180 F N 0.895 120.672 119.950 -0.289 0.000 2.612 180 F HA 0.372 4.896 4.527 -0.005 0.000 0.332 180 F C -1.328 174.396 175.800 -0.126 0.000 1.167 180 F CA -1.046 56.883 58.000 -0.118 0.000 0.970 180 F CB 1.189 40.148 39.000 -0.067 0.000 1.234 180 F HN -0.216 nan 8.300 nan 0.000 0.453 181 D N 3.585 123.801 120.400 -0.306 0.000 2.440 181 D HA 0.171 4.808 4.640 -0.006 0.000 0.252 181 D C 0.593 176.692 176.300 -0.335 0.000 1.180 181 D CA -0.185 53.664 54.000 -0.251 0.000 0.894 181 D CB 1.564 42.260 40.800 -0.172 0.000 1.111 181 D HN 0.531 nan 8.370 nan 0.000 0.544 182 T N -0.311 114.046 114.554 -0.327 0.000 3.129 182 T HA -0.028 4.319 4.350 -0.006 0.000 0.251 182 T C 1.463 176.030 174.700 -0.221 0.000 1.117 182 T CA 0.608 62.533 62.100 -0.292 0.000 1.034 182 T CB -0.233 68.486 68.868 -0.248 0.000 0.968 182 T HN 0.192 nan 8.240 nan 0.000 0.526 183 S N 0.485 116.058 115.700 -0.210 0.000 2.555 183 S HA 0.070 4.537 4.470 -0.006 0.000 0.230 183 S C 1.648 176.189 174.600 -0.099 0.000 0.978 183 S CA -0.058 58.044 58.200 -0.163 0.000 0.934 183 S CB -0.686 62.422 63.200 -0.153 0.000 0.766 183 S HN 0.395 nan 8.310 nan 0.000 0.533 184 I N 1.948 122.459 120.570 -0.098 0.000 2.676 184 I HA 0.244 4.411 4.170 -0.006 0.000 0.259 184 I C 1.153 177.263 176.117 -0.012 0.000 1.194 184 I CA 0.446 61.714 61.300 -0.054 0.000 1.473 184 I CB -0.330 37.626 38.000 -0.074 0.000 1.096 184 I HN 0.491 nan 8.210 nan 0.000 0.443 185 G N -0.641 108.138 108.800 -0.034 0.000 2.727 185 G HA2 0.545 4.502 3.960 -0.006 0.000 0.289 185 G HA3 0.545 4.502 3.960 -0.006 0.000 0.289 185 G C -2.963 171.897 174.900 -0.067 0.000 1.418 185 G CA -0.793 44.290 45.100 -0.028 0.000 0.818 185 G HN -0.155 nan 8.290 nan 0.000 0.486 186 P HA 0.404 nan 4.420 nan 0.000 0.276 186 P C -0.804 176.490 177.300 -0.009 0.000 1.244 186 P CA -0.579 62.457 63.100 -0.106 0.000 0.801 186 P CB 1.802 33.319 31.700 -0.304 0.000 1.006 187 L N 2.519 123.845 121.223 0.172 0.000 2.281 187 L HA 0.301 4.638 4.340 -0.006 0.000 0.285 187 L C -0.827 176.250 176.870 0.345 0.000 1.074 187 L CA -0.261 54.736 54.840 0.261 0.000 0.817 187 L CB 0.532 42.787 42.059 0.325 0.000 1.168 187 L HN 0.053 nan 8.230 nan 0.000 0.434 188 V N 6.234 126.300 119.914 0.254 0.000 2.448 188 V HA 0.388 4.504 4.120 -0.006 0.000 0.295 188 V C -1.128 175.170 176.094 0.341 0.000 1.025 188 V CA -0.584 61.921 62.300 0.343 0.000 0.859 188 V CB 1.295 33.282 31.823 0.273 0.000 0.988 188 V HN 0.681 nan 8.190 nan 0.000 0.431 189 Y N 3.967 124.448 120.300 0.303 0.000 2.317 189 Y HA 0.598 5.145 4.550 -0.005 0.000 0.325 189 Y C 0.099 176.141 175.900 0.236 0.000 1.066 189 Y CA -0.184 58.019 58.100 0.172 0.000 1.203 189 Y CB 1.713 40.166 38.460 -0.012 0.000 1.127 189 Y HN 0.797 nan 8.280 nan 0.000 0.451 190 S N 1.618 117.433 115.700 0.191 0.000 2.661 190 S HA 0.260 4.727 4.470 -0.006 0.000 0.285 190 S C 0.214 174.885 174.600 0.118 0.000 1.138 190 S CA -0.724 57.613 58.200 0.228 0.000 0.855 190 S CB 1.709 65.084 63.200 0.291 0.000 1.136 190 S HN 0.585 nan 8.310 nan 0.000 0.484 191 D N 0.396 120.881 120.400 0.142 0.000 2.133 191 D HA -0.163 4.474 4.640 -0.006 0.000 0.195 191 D C 1.126 177.483 176.300 0.095 0.000 0.997 191 D CA 1.885 55.946 54.000 0.102 0.000 0.840 191 D CB 0.050 40.907 40.800 0.095 0.000 0.947 191 D HN 0.673 nan 8.370 nan 0.000 0.452 192 Q N -1.934 117.954 119.800 0.147 0.000 2.135 192 Q HA 0.125 4.462 4.340 -0.006 0.000 0.222 192 Q C -1.024 175.135 176.000 0.264 0.000 0.808 192 Q CA -0.318 55.602 55.803 0.194 0.000 1.049 192 Q CB 1.408 30.253 28.738 0.178 0.000 1.168 192 Q HN 0.276 nan 8.270 nan 0.000 0.483 193 Y N 0.739 121.074 120.300 0.059 0.000 2.307 193 Y HA 0.380 4.927 4.550 -0.005 0.000 0.323 193 Y C -1.870 174.018 175.900 -0.020 0.000 1.100 193 Y CA -0.808 57.303 58.100 0.018 0.000 1.140 193 Y CB 0.833 39.332 38.460 0.066 0.000 1.159 193 Y HN -0.080 nan 8.280 nan 0.000 0.436 194 L N 5.808 126.738 121.223 -0.488 0.000 2.329 194 L HA 0.649 4.986 4.340 -0.006 0.000 0.279 194 L C -0.705 175.831 176.870 -0.556 0.000 1.014 194 L CA -0.795 53.782 54.840 -0.439 0.000 0.814 194 L CB 2.115 43.968 42.059 -0.343 0.000 1.257 194 L HN 0.585 nan 8.230 nan 0.000 0.424 195 Q N 3.468 123.088 119.800 -0.301 0.000 2.315 195 Q HA 0.702 5.039 4.340 -0.006 0.000 0.273 195 Q C -1.862 174.170 176.000 0.052 0.000 1.053 195 Q CA -0.572 55.130 55.803 -0.169 0.000 0.817 195 Q CB 3.427 32.061 28.738 -0.173 0.000 1.326 195 Q HN 0.700 nan 8.270 nan 0.000 0.423 196 I N 1.300 121.963 120.570 0.155 0.000 2.775 196 I HA 0.436 4.603 4.170 -0.006 0.000 0.295 196 I C -1.521 174.727 176.117 0.219 0.000 1.287 196 I CA -0.171 61.243 61.300 0.190 0.000 1.029 196 I CB 2.533 40.699 38.000 0.276 0.000 1.282 196 I HN 0.613 nan 8.210 nan 0.000 0.426 197 S N 4.420 120.174 115.700 0.089 0.000 2.607 197 S HA 0.955 5.422 4.470 -0.006 0.000 0.303 197 S C -0.992 173.520 174.600 -0.146 0.000 1.086 197 S CA -0.614 57.605 58.200 0.032 0.000 0.995 197 S CB 1.908 65.114 63.200 0.010 0.000 1.084 197 S HN 0.772 nan 8.310 nan 0.000 0.507 198 A N 1.686 124.363 122.820 -0.239 0.000 2.427 198 A HA 0.691 5.007 4.320 -0.006 0.000 0.298 198 A C -0.561 176.844 177.584 -0.300 0.000 1.036 198 A CA -0.753 50.970 52.037 -0.523 0.000 0.701 198 A CB 1.051 19.301 19.000 -1.250 0.000 1.250 198 A HN 0.780 nan 8.150 nan 0.000 0.412 199 R N 2.406 122.753 120.500 -0.256 0.000 2.390 199 R HA 0.605 4.942 4.340 -0.006 0.000 0.291 199 R C -1.006 175.235 176.300 -0.099 0.000 1.070 199 R CA -0.183 55.823 56.100 -0.157 0.000 1.014 199 R CB 0.336 30.560 30.300 -0.128 0.000 1.007 199 R HN 0.697 nan 8.270 nan 0.000 0.466 200 L N 5.769 126.978 121.223 -0.024 0.000 2.322 200 L HA 0.491 4.828 4.340 -0.006 0.000 0.269 200 L C -1.525 175.391 176.870 0.077 0.000 1.012 200 L CA -2.215 52.693 54.840 0.113 0.000 0.815 200 L CB 2.166 44.328 42.059 0.172 0.000 1.295 200 L HN 0.654 nan 8.230 nan 0.000 0.438 201 P HA 0.033 nan 4.420 nan 0.000 0.261 201 P C -0.049 177.319 177.300 0.113 0.000 1.268 201 P CA 0.345 63.505 63.100 0.100 0.000 0.833 201 P CB 0.658 32.423 31.700 0.108 0.000 1.231 202 S N -1.321 114.451 115.700 0.120 0.000 2.607 202 S HA 0.382 4.848 4.470 -0.006 0.000 0.273 202 S C -0.216 174.404 174.600 0.034 0.000 1.148 202 S CA -0.628 57.651 58.200 0.131 0.000 0.833 202 S CB 1.210 64.520 63.200 0.184 0.000 1.130 202 S HN -0.322 nan 8.310 nan 0.000 0.470 203 D N 0.567 120.976 120.400 0.015 0.000 2.319 203 D HA 0.193 4.830 4.640 -0.006 0.000 0.230 203 D C -0.997 174.888 176.300 -0.691 0.000 1.094 203 D CA 0.640 54.445 54.000 -0.325 0.000 0.856 203 D CB -0.241 40.328 40.800 -0.384 0.000 0.915 203 D HN 0.516 nan 8.370 nan 0.000 0.517 204 Y N 0.275 120.465 120.300 -0.183 0.000 2.555 204 Y HA 0.416 4.963 4.550 -0.005 0.000 0.326 204 Y C -0.147 175.441 175.900 -0.520 0.000 0.984 204 Y CA -0.753 57.150 58.100 -0.328 0.000 1.298 204 Y CB 0.761 39.104 38.460 -0.196 0.000 1.094 204 Y HN -0.282 nan 8.280 nan 0.000 0.500 205 I N 3.171 123.296 120.570 -0.742 0.000 2.608 205 I HA 0.488 4.655 4.170 -0.006 0.000 0.295 205 I C -1.197 174.348 176.117 -0.954 0.000 1.049 205 I CA -0.987 59.908 61.300 -0.675 0.000 1.063 205 I CB 1.747 39.376 38.000 -0.618 0.000 1.248 205 I HN 0.302 nan 8.210 nan 0.000 0.424 206 Y N 3.234 123.366 120.300 -0.280 0.000 2.457 206 Y HA 0.814 5.361 4.550 -0.005 0.000 0.343 206 Y C 0.554 176.311 175.900 -0.238 0.000 0.994 206 Y CA -0.671 57.196 58.100 -0.388 0.000 1.031 206 Y CB 2.181 40.210 38.460 -0.719 0.000 1.246 206 Y HN 0.848 nan 8.280 nan 0.000 0.449 207 G N 1.382 110.199 108.800 0.029 0.000 2.306 207 G HA2 0.192 4.149 3.960 -0.006 0.000 0.262 207 G HA3 0.192 4.149 3.960 -0.006 0.000 0.262 207 G C -1.188 173.881 174.900 0.281 0.000 1.263 207 G CA -0.573 44.601 45.100 0.123 0.000 1.088 207 G HN 1.076 nan 8.290 nan 0.000 0.489 208 I N -1.078 119.724 120.570 0.386 0.000 8.673 208 I HA 0.191 4.358 4.170 -0.006 0.000 0.126 208 I C 0.640 176.942 176.117 0.309 0.000 1.860 208 I CA 1.226 62.661 61.300 0.225 0.000 2.038 208 I CB -0.924 37.060 38.000 -0.025 0.000 3.874 208 I HN 2.356 nan 8.210 nan 0.000 0.169 209 G N 4.348 113.154 108.800 0.011 0.000 2.495 209 G HA2 0.542 4.499 3.960 -0.006 0.000 0.294 209 G HA3 0.542 4.499 3.960 -0.006 0.000 0.294 209 G C -1.891 172.955 174.900 -0.090 0.000 1.397 209 G CA -0.673 44.405 45.100 -0.036 0.000 0.790 209 G HN 0.783 nan 8.290 nan 0.000 0.486 210 E N -0.149 120.060 120.200 0.015 0.000 2.146 210 E HA 0.561 4.908 4.350 -0.006 0.000 0.282 210 E C -0.560 176.064 176.600 0.041 0.000 0.989 210 E CA -0.195 56.263 56.400 0.097 0.000 0.799 210 E CB 0.843 30.713 29.700 0.283 0.000 1.088 210 E HN 0.376 nan 8.360 nan 0.000 0.397 211 Q N 1.350 121.098 119.800 -0.086 0.000 2.605 211 Q HA 0.425 4.762 4.340 -0.006 0.000 0.296 211 Q C -1.355 174.488 176.000 -0.263 0.000 1.056 211 Q CA -0.861 54.891 55.803 -0.084 0.000 0.778 211 Q CB 2.064 30.870 28.738 0.114 0.000 1.497 211 Q HN 0.316 nan 8.270 nan 0.000 0.443 212 V N 2.049 121.899 119.914 -0.107 0.000 2.372 212 V HA 0.126 4.243 4.120 -0.006 0.000 0.261 212 V C 0.091 176.077 176.094 -0.181 0.000 1.055 212 V CA 0.119 62.326 62.300 -0.155 0.000 0.930 212 V CB 0.054 31.818 31.823 -0.099 0.000 1.031 212 V HN 0.740 nan 8.190 nan 0.000 0.479 213 H N 3.034 121.968 119.070 -0.226 0.000 2.547 213 H HA 0.109 4.661 4.556 -0.006 0.000 0.272 213 H C 1.476 176.641 175.328 -0.271 0.000 0.971 213 H CA 0.411 56.258 56.048 -0.334 0.000 1.245 213 H CB 0.283 29.732 29.762 -0.523 0.000 1.440 213 H HN 0.680 nan 8.280 nan 0.000 0.540 214 K N -1.001 119.252 120.400 -0.245 0.000 4.378 214 K HA -0.180 4.137 4.320 -0.006 0.000 0.416 214 K C -0.029 176.579 176.600 0.014 0.000 0.469 214 K CA 1.437 57.519 56.287 -0.342 0.000 1.807 214 K CB -0.564 31.650 32.500 -0.476 0.000 0.965 214 K HN 0.083 nan 8.250 nan 0.000 0.530 215 R N 0.056 120.564 120.500 0.013 0.000 2.637 215 R HA 0.259 4.596 4.340 -0.006 0.000 0.291 215 R C 0.516 176.864 176.300 0.079 0.000 0.963 215 R CA -0.441 55.703 56.100 0.075 0.000 0.901 215 R CB 0.850 31.165 30.300 0.026 0.000 1.160 215 R HN 0.035 nan 8.270 nan 0.000 0.457 216 F N 2.180 122.144 119.950 0.023 0.000 2.113 216 F HA 0.018 4.542 4.527 -0.006 0.000 0.297 216 F C 1.157 176.984 175.800 0.045 0.000 1.103 216 F CA 1.291 59.330 58.000 0.065 0.000 1.248 216 F CB 0.173 39.270 39.000 0.161 0.000 0.999 216 F HN 0.221 nan 8.300 nan 0.000 0.475 217 R N 1.240 121.731 120.500 -0.015 0.000 2.401 217 R HA -0.001 4.335 4.340 -0.006 0.000 0.299 217 R C -1.102 174.954 176.300 -0.408 0.000 1.064 217 R CA -0.191 55.706 56.100 -0.339 0.000 1.000 217 R CB -0.161 30.135 30.300 -0.007 0.000 0.973 217 R HN 0.250 nan 8.270 nan 0.000 0.438 218 H N 2.060 120.780 119.070 -0.582 0.000 2.929 218 H HA -0.032 4.521 4.556 -0.006 0.000 0.317 218 H C -0.193 174.928 175.328 -0.346 0.000 1.031 218 H CA 0.546 56.310 56.048 -0.473 0.000 1.466 218 H CB 0.473 29.893 29.762 -0.571 0.000 1.482 218 H HN 0.455 nan 8.280 nan 0.000 0.561 219 D N 3.568 123.884 120.400 -0.140 0.000 2.472 219 D HA -0.078 4.559 4.640 -0.006 0.000 0.248 219 D C 0.582 176.798 176.300 -0.140 0.000 1.174 219 D CA 0.371 54.310 54.000 -0.103 0.000 0.883 219 D CB 0.707 41.491 40.800 -0.026 0.000 1.149 219 D HN 0.556 nan 8.370 nan 0.000 0.488 220 L N 2.663 123.751 121.223 -0.226 0.000 2.592 220 L HA 0.036 4.373 4.340 -0.006 0.000 0.227 220 L C 1.473 178.097 176.870 -0.411 0.000 1.127 220 L CA -0.018 54.618 54.840 -0.340 0.000 0.884 220 L CB 0.004 41.845 42.059 -0.363 0.000 1.065 220 L HN 0.246 nan 8.230 nan 0.000 0.457 221 S N 0.397 115.946 115.700 -0.251 0.000 4.120 221 S HA 0.071 4.538 4.470 -0.006 0.000 0.196 221 S C -0.477 174.106 174.600 -0.027 0.000 1.447 221 S CA -0.482 57.625 58.200 -0.154 0.000 0.939 221 S CB -0.892 62.323 63.200 0.024 0.000 1.496 221 S HN 0.406 nan 8.310 nan 0.000 0.460 222 W N 1.282 122.420 121.300 -0.270 0.000 5.447 222 W HA -0.161 4.497 4.660 -0.003 0.000 0.421 222 W C -0.153 176.144 176.519 -0.369 0.000 1.665 222 W CA -0.088 57.058 57.345 -0.331 0.000 0.941 222 W CB -1.685 27.776 29.460 0.001 0.000 2.889 222 W HN 0.280 nan 8.180 nan 0.000 1.320 223 K N 0.682 120.779 120.400 -0.505 0.000 2.182 223 K HA 0.645 4.962 4.320 -0.006 0.000 0.262 223 K C 0.239 176.508 176.600 -0.551 0.000 0.957 223 K CA -0.689 55.334 56.287 -0.441 0.000 0.842 223 K CB 1.763 34.079 32.500 -0.307 0.000 1.099 223 K HN -0.117 nan 8.250 nan 0.000 0.438 224 T N 2.176 116.442 114.554 -0.481 0.000 2.771 224 T HA 0.394 4.741 4.350 -0.006 0.000 0.281 224 T C -0.660 173.639 174.700 -0.668 0.000 0.982 224 T CA -0.563 61.381 62.100 -0.260 0.000 0.978 224 T CB 0.368 69.250 68.868 0.023 0.000 0.930 224 T HN 0.375 nan 8.240 nan 0.000 0.447 225 W N 5.567 126.905 121.300 0.063 0.000 2.363 225 W HA 0.361 5.019 4.660 -0.003 0.000 0.314 225 W C -2.396 174.159 176.519 0.059 0.000 0.994 225 W CA -2.455 54.926 57.345 0.059 0.000 1.449 225 W CB 0.882 30.373 29.460 0.052 0.000 1.248 225 W HN 0.380 nan 8.180 nan 0.000 0.409 226 P HA 0.343 nan 4.420 nan 0.000 0.278 226 P C -0.472 176.925 177.300 0.162 0.000 1.238 226 P CA 0.007 63.198 63.100 0.152 0.000 0.794 226 P CB 1.838 33.590 31.700 0.088 0.000 0.955 227 I N 3.282 123.923 120.570 0.119 0.000 2.468 227 I HA 0.468 4.635 4.170 -0.006 0.000 0.284 227 I C -0.898 175.363 176.117 0.241 0.000 1.038 227 I CA -0.522 60.806 61.300 0.046 0.000 1.083 227 I CB 1.227 39.095 38.000 -0.221 0.000 1.223 227 I HN 0.205 nan 8.210 nan 0.000 0.443 228 F N 4.750 124.771 119.950 0.117 0.000 2.775 228 F HA 0.153 4.676 4.527 -0.006 0.000 0.339 228 F C 0.102 176.060 175.800 0.263 0.000 1.159 228 F CA -0.815 57.334 58.000 0.248 0.000 1.145 228 F CB 1.171 40.224 39.000 0.088 0.000 1.408 228 F HN 0.524 nan 8.300 nan 0.000 0.597 229 T N 2.048 116.673 114.554 0.117 0.000 2.866 229 T HA 0.391 4.738 4.350 -0.006 0.000 0.293 229 T C -0.223 174.516 174.700 0.065 0.000 1.005 229 T CA 0.010 62.154 62.100 0.072 0.000 1.162 229 T CB 0.823 69.675 68.868 -0.027 0.000 0.968 229 T HN 0.777 nan 8.240 nan 0.000 0.530 230 R N 1.880 122.417 120.500 0.062 0.000 2.535 230 R HA 0.352 4.689 4.340 -0.006 0.000 0.274 230 R C -1.848 174.462 176.300 0.016 0.000 1.090 230 R CA -0.668 55.459 56.100 0.045 0.000 0.930 230 R CB 1.428 31.751 30.300 0.039 0.000 1.223 230 R HN 0.697 nan 8.270 nan 0.000 0.441 231 D N 2.933 123.396 120.400 0.105 0.000 2.359 231 D HA 0.212 4.849 4.640 -0.006 0.000 0.250 231 D C -1.131 175.229 176.300 0.101 0.000 1.264 231 D CA 0.541 54.658 54.000 0.195 0.000 0.911 231 D CB 0.728 41.661 40.800 0.222 0.000 1.056 231 D HN 0.485 nan 8.370 nan 0.000 0.499 232 Q N 3.314 123.105 119.800 -0.014 0.000 2.353 232 Q HA 0.328 4.665 4.340 -0.006 0.000 0.275 232 Q C -1.518 174.501 176.000 0.032 0.000 1.029 232 Q CA -0.687 55.122 55.803 0.010 0.000 0.848 232 Q CB 1.052 29.764 28.738 -0.043 0.000 1.390 232 Q HN 0.427 nan 8.270 nan 0.000 0.401 233 L N 5.317 126.635 121.223 0.157 0.000 2.534 233 L HA 0.262 4.599 4.340 -0.006 0.000 0.271 233 L C -1.741 175.225 176.870 0.161 0.000 1.178 233 L CA -1.422 53.551 54.840 0.221 0.000 0.907 233 L CB 0.082 42.292 42.059 0.251 0.000 1.164 233 L HN 0.584 nan 8.230 nan 0.000 0.482 234 P HA 0.092 nan 4.420 nan 0.000 0.265 234 P C -0.069 177.384 177.300 0.255 0.000 1.193 234 P CA 0.133 63.344 63.100 0.185 0.000 0.765 234 P CB 1.017 32.862 31.700 0.241 0.000 0.823 235 G N 1.148 110.084 108.800 0.228 0.000 2.682 235 G HA2 0.267 4.224 3.960 -0.006 0.000 0.303 235 G HA3 0.267 4.224 3.960 -0.006 0.000 0.303 235 G C -1.463 173.538 174.900 0.168 0.000 1.341 235 G CA -0.445 44.827 45.100 0.286 0.000 0.784 235 G HN 0.375 nan 8.290 nan 0.000 0.497 236 D N 1.012 121.521 120.400 0.183 0.000 2.551 236 D HA 0.240 4.877 4.640 -0.006 0.000 0.223 236 D C 0.290 176.601 176.300 0.019 0.000 1.144 236 D CA -0.181 53.820 54.000 0.002 0.000 1.025 236 D CB -0.920 39.996 40.800 0.193 0.000 1.085 236 D HN 0.562 nan 8.370 nan 0.000 0.506 237 N N 0.439 119.140 118.700 0.003 0.000 3.261 237 N HA 0.015 4.752 4.740 -0.006 0.000 0.248 237 N C -0.378 175.166 175.510 0.056 0.000 1.498 237 N CA -0.694 52.369 53.050 0.020 0.000 0.884 237 N CB 0.204 38.712 38.487 0.036 0.000 1.428 237 N HN 0.004 nan 8.380 nan 0.000 0.517 238 N N 0.016 118.723 118.700 0.012 0.000 2.295 238 N HA 0.007 4.744 4.740 -0.006 0.000 0.221 238 N C -0.894 174.690 175.510 0.122 0.000 1.129 238 N CA -0.197 52.883 53.050 0.049 0.000 0.836 238 N CB -0.685 37.609 38.487 -0.321 0.000 1.040 238 N HN 0.346 nan 8.380 nan 0.000 0.494 239 N N 2.324 121.078 118.700 0.090 0.000 2.407 239 N HA -0.064 4.673 4.740 -0.006 0.000 0.250 239 N C 0.069 175.638 175.510 0.099 0.000 1.236 239 N CA 0.159 53.251 53.050 0.070 0.000 0.879 239 N CB 0.305 38.815 38.487 0.038 0.000 1.088 239 N HN 0.475 nan 8.380 nan 0.000 0.450 240 N N 2.173 120.927 118.700 0.090 0.000 2.483 240 N HA 0.071 4.807 4.740 -0.006 0.000 0.264 240 N C -0.080 175.434 175.510 0.006 0.000 1.197 240 N CA 0.169 53.274 53.050 0.091 0.000 0.927 240 N CB 1.001 39.568 38.487 0.134 0.000 1.065 240 N HN 0.400 nan 8.380 nan 0.000 0.461 241 L N 0.575 121.772 121.223 -0.044 0.000 2.867 241 L HA 0.330 4.667 4.340 -0.006 0.000 0.235 241 L C 1.124 177.895 176.870 -0.165 0.000 2.007 241 L CA -0.915 53.762 54.840 -0.271 0.000 2.313 241 L CB -0.325 41.506 42.059 -0.380 0.000 2.475 241 L HN 0.311 nan 8.230 nan 0.000 0.585 242 Y N 0.169 120.530 120.300 0.101 0.000 2.263 242 Y HA 0.139 4.686 4.550 -0.005 0.000 0.292 242 Y C 1.376 177.335 175.900 0.098 0.000 1.130 242 Y CA 0.397 58.546 58.100 0.081 0.000 1.179 242 Y CB -0.692 37.800 38.460 0.055 0.000 0.998 242 Y HN 0.373 nan 8.280 nan 0.000 0.532 243 G N -1.521 107.445 108.800 0.277 0.000 2.441 243 G HA2 0.370 4.327 3.960 -0.006 0.000 0.334 243 G HA3 0.370 4.327 3.960 -0.006 0.000 0.334 243 G C -1.705 173.304 174.900 0.181 0.000 1.161 243 G CA -0.583 44.649 45.100 0.220 0.000 0.935 243 G HN 0.346 nan 8.290 nan 0.000 0.488 244 H N 0.551 119.678 119.070 0.095 0.000 2.725 244 H HA 0.419 4.972 4.556 -0.006 0.000 0.283 244 H C -0.650 174.609 175.328 -0.115 0.000 1.110 244 H CA -0.498 55.610 56.048 0.100 0.000 1.289 244 H CB 0.499 30.452 29.762 0.318 0.000 1.400 244 H HN 0.172 nan 8.280 nan 0.000 0.493 245 Q N 3.792 123.420 119.800 -0.286 0.000 2.394 245 Q HA 0.121 4.458 4.340 -0.006 0.000 0.261 245 Q C 0.646 176.459 176.000 -0.311 0.000 1.023 245 Q CA -0.322 55.159 55.803 -0.536 0.000 0.720 245 Q CB 1.748 29.617 28.738 -1.449 0.000 1.241 245 Q HN 0.876 nan 8.270 nan 0.000 0.483 246 T N -1.339 113.189 114.554 -0.043 0.000 3.088 246 T HA 0.081 4.428 4.350 -0.006 0.000 0.259 246 T C 0.622 175.497 174.700 0.292 0.000 1.122 246 T CA -0.099 62.082 62.100 0.135 0.000 1.095 246 T CB -0.068 68.884 68.868 0.140 0.000 0.930 246 T HN 0.304 nan 8.240 nan 0.000 0.508 247 F N 3.660 123.667 119.950 0.094 0.000 2.529 247 F HA 0.460 4.984 4.527 -0.005 0.000 0.365 247 F C -0.500 175.404 175.800 0.174 0.000 1.102 247 F CA -2.126 55.900 58.000 0.044 0.000 1.271 247 F CB 0.119 38.844 39.000 -0.457 0.000 1.120 247 F HN 0.276 nan 8.300 nan 0.000 0.579 248 F N 5.940 125.435 119.950 -0.759 0.000 2.626 248 F HA 0.715 5.239 4.527 -0.005 0.000 0.311 248 F C -1.387 173.796 175.800 -1.028 0.000 1.088 248 F CA -1.619 55.887 58.000 -0.824 0.000 0.949 248 F CB 1.291 40.026 39.000 -0.443 0.000 1.322 248 F HN 0.603 nan 8.300 nan 0.000 0.461 249 M N 2.548 121.813 119.600 -0.558 0.000 2.690 249 M HA 0.829 5.306 4.480 -0.006 0.000 0.302 249 M C -1.819 174.343 176.300 -0.230 0.000 1.234 249 M CA -0.636 54.364 55.300 -0.501 0.000 0.853 249 M CB 2.284 34.666 32.600 -0.362 0.000 1.748 249 M HN 0.954 nan 8.290 nan 0.000 0.469 250 C N 2.577 121.602 119.300 -0.458 0.000 2.608 250 C HA 0.710 5.166 4.460 -0.006 0.000 0.325 250 C C -0.828 173.984 174.990 -0.297 0.000 1.147 250 C CA -0.700 58.094 59.018 -0.374 0.000 1.359 250 C CB 1.069 28.445 27.740 -0.606 0.000 1.912 250 C HN 1.021 nan 8.230 nan 0.000 0.466 251 I N 5.562 126.030 120.570 -0.171 0.000 2.325 251 I HA 0.354 4.521 4.170 -0.006 0.000 0.291 251 I C 0.925 176.921 176.117 -0.202 0.000 1.019 251 I CA 0.226 61.360 61.300 -0.276 0.000 1.302 251 I CB 1.105 38.773 38.000 -0.555 0.000 1.401 251 I HN 0.847 nan 8.210 nan 0.000 0.485 252 E N 4.123 124.295 120.200 -0.048 0.000 2.170 252 E HA 0.010 4.357 4.350 -0.006 0.000 0.191 252 E C -0.294 176.361 176.600 0.091 0.000 0.981 252 E CA 0.519 56.970 56.400 0.084 0.000 0.830 252 E CB 0.249 30.039 29.700 0.150 0.000 0.775 252 E HN 0.651 nan 8.360 nan 0.000 0.470 253 D N -2.848 117.599 120.400 0.079 0.000 2.738 253 D HA 0.057 4.694 4.640 -0.006 0.000 0.308 253 D C -0.075 176.459 176.300 0.390 0.000 1.311 253 D CA -0.389 53.769 54.000 0.263 0.000 0.799 253 D CB 0.948 41.866 40.800 0.196 0.000 1.332 253 D HN -0.275 nan 8.370 nan 0.000 0.441 254 T N -0.708 114.133 114.554 0.478 0.000 3.072 254 T HA -0.030 4.317 4.350 -0.006 0.000 0.266 254 T C 1.595 176.521 174.700 0.377 0.000 1.127 254 T CA 1.855 64.244 62.100 0.481 0.000 1.107 254 T CB -0.215 68.800 68.868 0.244 0.000 0.910 254 T HN 0.390 nan 8.240 nan 0.000 0.513 255 S N 0.046 115.903 115.700 0.263 0.000 2.419 255 S HA 0.131 4.598 4.470 -0.006 0.000 0.233 255 S C 2.005 176.707 174.600 0.171 0.000 1.016 255 S CA 1.211 59.535 58.200 0.207 0.000 0.974 255 S CB -0.458 62.816 63.200 0.123 0.000 0.786 255 S HN 0.707 nan 8.310 nan 0.000 0.492 256 G N 0.807 109.635 108.800 0.047 0.000 2.213 256 G HA2 -0.202 3.755 3.960 -0.006 0.000 0.226 256 G HA3 -0.202 3.755 3.960 -0.006 0.000 0.226 256 G C -0.041 174.662 174.900 -0.328 0.000 0.992 256 G CA -0.110 44.720 45.100 -0.450 0.000 0.632 256 G HN 0.475 nan 8.290 nan 0.000 0.511 257 K N 1.378 121.707 120.400 -0.119 0.000 2.511 257 K HA 0.437 4.754 4.320 -0.006 0.000 0.280 257 K C 0.074 176.654 176.600 -0.034 0.000 1.008 257 K CA 0.857 57.113 56.287 -0.052 0.000 1.050 257 K CB 0.937 33.450 32.500 0.021 0.000 0.889 257 K HN 0.347 nan 8.250 nan 0.000 0.484 258 S N 1.527 117.227 115.700 -0.001 0.000 2.607 258 S HA 0.747 5.214 4.470 -0.006 0.000 0.273 258 S C -0.944 173.755 174.600 0.165 0.000 1.148 258 S CA -0.992 57.214 58.200 0.010 0.000 0.833 258 S CB 1.120 64.228 63.200 -0.153 0.000 1.130 258 S HN 0.559 nan 8.310 nan 0.000 0.470 259 F N -1.315 118.623 119.950 -0.020 0.000 2.643 259 F HA 0.969 5.493 4.527 -0.006 0.000 0.314 259 F C -0.149 175.641 175.800 -0.017 0.000 1.096 259 F CA -0.958 57.047 58.000 0.008 0.000 0.953 259 F CB 1.002 40.019 39.000 0.027 0.000 1.345 259 F HN 0.750 nan 8.300 nan 0.000 0.468 260 G N 0.319 109.182 108.800 0.106 0.000 2.519 260 G HA2 0.632 4.588 3.960 -0.006 0.000 0.307 260 G HA3 0.632 4.588 3.960 -0.006 0.000 0.307 260 G C -2.226 172.686 174.900 0.021 0.000 1.266 260 G CA -1.198 43.878 45.100 -0.041 0.000 0.970 260 G HN 0.724 nan 8.290 nan 0.000 0.481 261 V N 1.319 121.026 119.914 -0.344 0.000 2.443 261 V HA 0.546 4.662 4.120 -0.006 0.000 0.293 261 V C -1.305 174.866 176.094 0.129 0.000 1.021 261 V CA -0.711 61.500 62.300 -0.150 0.000 0.848 261 V CB 1.248 32.859 31.823 -0.353 0.000 0.998 261 V HN 0.665 nan 8.190 nan 0.000 0.424 262 F N 6.501 126.570 119.950 0.198 0.000 2.477 262 F HA 0.755 5.279 4.527 -0.006 0.000 0.335 262 F C -0.955 174.882 175.800 0.061 0.000 1.130 262 F CA -1.323 56.809 58.000 0.221 0.000 0.948 262 F CB 1.731 40.908 39.000 0.294 0.000 1.154 262 F HN 0.432 nan 8.300 nan 0.000 0.439 263 L N 7.932 128.701 121.223 -0.757 0.000 2.257 263 L HA 0.479 4.816 4.340 -0.006 0.000 0.290 263 L C -0.445 175.664 176.870 -1.268 0.000 1.044 263 L CA -0.535 53.616 54.840 -1.147 0.000 0.810 263 L CB 1.047 42.489 42.059 -1.028 0.000 1.193 263 L HN 0.771 nan 8.230 nan 0.000 0.425 264 M N 6.472 125.452 119.600 -1.033 0.000 2.775 264 M HA 0.363 4.839 4.480 -0.006 0.000 0.313 264 M C -1.007 175.151 176.300 -0.237 0.000 1.429 264 M CA 0.598 55.576 55.300 -0.538 0.000 1.494 264 M CB -0.955 31.532 32.600 -0.188 0.000 1.274 264 M HN 0.655 nan 8.290 nan 0.000 0.491 265 N N 1.378 120.048 118.700 -0.051 0.000 2.554 265 N HA 0.175 4.911 4.740 -0.006 0.000 0.271 265 N C -0.822 174.842 175.510 0.257 0.000 1.081 265 N CA 0.131 53.216 53.050 0.057 0.000 0.994 265 N CB 1.437 39.886 38.487 -0.063 0.000 1.641 265 N HN 0.517 nan 8.380 nan 0.000 0.511 266 S N 1.324 117.128 115.700 0.174 0.000 2.554 266 S HA 0.236 4.703 4.470 -0.006 0.000 0.226 266 S C 0.347 174.955 174.600 0.013 0.000 0.980 266 S CA -0.527 57.612 58.200 -0.102 0.000 0.939 266 S CB -0.131 62.900 63.200 -0.281 0.000 0.832 266 S HN 0.482 nan 8.310 nan 0.000 0.486 267 N N 2.447 121.238 118.700 0.152 0.000 2.503 267 N HA 0.395 5.131 4.740 -0.006 0.000 0.267 267 N C 0.116 175.745 175.510 0.197 0.000 1.214 267 N CA 0.221 53.320 53.050 0.081 0.000 0.959 267 N CB 0.915 39.402 38.487 -0.000 0.000 1.142 267 N HN 0.453 nan 8.380 nan 0.000 0.455 268 A N 1.851 124.617 122.820 -0.091 0.000 2.540 268 A HA 0.287 4.603 4.320 -0.006 0.000 0.239 268 A C 0.483 178.034 177.584 -0.053 0.000 1.061 268 A CA 0.403 52.299 52.037 -0.234 0.000 0.758 268 A CB -0.188 18.080 19.000 -1.220 0.000 0.991 268 A HN 0.781 nan 8.150 nan 0.000 0.502 269 M N 0.203 119.841 119.600 0.064 0.000 3.008 269 M HA 0.758 5.234 4.480 -0.006 0.000 0.271 269 M C -1.117 175.271 176.300 0.146 0.000 1.265 269 M CA -0.655 54.728 55.300 0.138 0.000 0.817 269 M CB 1.676 34.388 32.600 0.186 0.000 1.638 269 M HN 0.523 nan 8.290 nan 0.000 0.479 270 E N 0.771 121.097 120.200 0.209 0.000 2.293 270 E HA 0.685 5.032 4.350 -0.006 0.000 0.270 270 E C -1.806 174.903 176.600 0.183 0.000 0.879 270 E CA -0.733 55.789 56.400 0.202 0.000 0.756 270 E CB 3.060 32.920 29.700 0.266 0.000 1.208 270 E HN 0.623 nan 8.360 nan 0.000 0.428 271 I N 3.509 124.167 120.570 0.147 0.000 2.362 271 I HA 0.321 4.488 4.170 -0.006 0.000 0.289 271 I C -0.938 175.234 176.117 0.092 0.000 0.994 271 I CA -0.711 60.595 61.300 0.010 0.000 1.158 271 I CB 0.918 38.853 38.000 -0.108 0.000 1.315 271 I HN 0.400 nan 8.210 nan 0.000 0.451 272 F N 8.065 127.946 119.950 -0.115 0.000 2.458 272 F HA 0.655 5.179 4.527 -0.006 0.000 0.336 272 F C -0.659 175.041 175.800 -0.166 0.000 1.114 272 F CA -0.661 57.285 58.000 -0.089 0.000 0.987 272 F CB 1.016 40.008 39.000 -0.014 0.000 1.130 272 F HN 0.175 nan 8.300 nan 0.000 0.458 273 I N 6.065 126.137 120.570 -0.831 0.000 2.433 273 I HA 0.400 4.567 4.170 -0.006 0.000 0.292 273 I C -0.927 174.601 176.117 -0.982 0.000 1.001 273 I CA -0.691 60.176 61.300 -0.721 0.000 1.119 273 I CB 1.850 39.534 38.000 -0.527 0.000 1.289 273 I HN 0.624 nan 8.210 nan 0.000 0.438 274 Q N 6.303 125.610 119.800 -0.822 0.000 2.484 274 Q HA 0.661 4.998 4.340 -0.006 0.000 0.285 274 Q C -2.989 172.495 176.000 -0.860 0.000 1.097 274 Q CA -2.234 52.887 55.803 -1.137 0.000 0.802 274 Q CB 2.578 30.538 28.738 -1.296 0.000 1.444 274 Q HN 0.183 nan 8.270 nan 0.000 0.429 275 P HA 0.167 nan 4.420 nan 0.000 0.272 275 P C -0.423 176.653 177.300 -0.374 0.000 1.223 275 P CA 0.390 63.178 63.100 -0.519 0.000 0.784 275 P CB 1.077 32.547 31.700 -0.384 0.000 0.923 276 T N -2.344 112.057 114.554 -0.254 0.000 5.870 276 T HA -0.021 4.326 4.350 -0.006 0.000 0.273 276 T C -2.680 171.932 174.700 -0.148 0.000 2.196 276 T CA -0.121 61.874 62.100 -0.174 0.000 3.763 276 T CB -2.288 66.482 68.868 -0.165 0.000 0.566 276 T HN 0.439 nan 8.240 nan 0.000 0.311 277 P HA 0.771 nan 4.420 nan 0.000 0.284 277 P C -1.111 176.053 177.300 -0.226 0.000 1.258 277 P CA -0.437 62.506 63.100 -0.262 0.000 0.824 277 P CB 0.886 32.407 31.700 -0.298 0.000 1.038 278 I N 1.083 121.492 120.570 -0.269 0.000 2.465 278 I HA 0.331 4.498 4.170 -0.006 0.000 0.291 278 I C -0.138 175.841 176.117 -0.230 0.000 1.014 278 I CA -1.152 60.026 61.300 -0.204 0.000 1.093 278 I CB 2.385 40.297 38.000 -0.146 0.000 1.267 278 I HN 0.042 nan 8.210 nan 0.000 0.431 279 V N 5.863 125.665 119.914 -0.188 0.000 2.398 279 V HA 0.550 4.667 4.120 -0.006 0.000 0.286 279 V C -0.305 175.739 176.094 -0.082 0.000 1.026 279 V CA 0.156 62.326 62.300 -0.217 0.000 0.868 279 V CB 1.904 33.545 31.823 -0.303 0.000 0.982 279 V HN 0.807 nan 8.190 nan 0.000 0.443 280 T N 7.058 121.591 114.554 -0.036 0.000 2.807 280 T HA 0.567 4.913 4.350 -0.006 0.000 0.279 280 T C -1.160 173.561 174.700 0.035 0.000 0.993 280 T CA 0.012 62.171 62.100 0.097 0.000 0.970 280 T CB 0.954 69.938 68.868 0.195 0.000 0.950 280 T HN 0.552 nan 8.240 nan 0.000 0.441 281 Y N 2.224 122.630 120.300 0.177 0.000 2.330 281 Y HA 0.526 5.073 4.550 -0.005 0.000 0.336 281 Y C 1.003 176.937 175.900 0.056 0.000 1.036 281 Y CA -1.001 57.202 58.100 0.170 0.000 1.125 281 Y CB 1.171 39.785 38.460 0.255 0.000 1.194 281 Y HN 0.286 nan 8.280 nan 0.000 0.469 282 R N 2.922 123.528 120.500 0.177 0.000 2.422 282 R HA 0.570 4.907 4.340 -0.006 0.000 0.307 282 R C -1.497 174.854 176.300 0.086 0.000 1.004 282 R CA -0.792 55.287 56.100 -0.035 0.000 0.882 282 R CB 2.046 32.373 30.300 0.046 0.000 1.164 282 R HN 0.502 nan 8.270 nan 0.000 0.489 283 V N 1.605 121.473 119.914 -0.077 0.000 2.769 283 V HA 0.389 4.506 4.120 -0.006 0.000 0.312 283 V C 0.867 176.986 176.094 0.042 0.000 1.061 283 V CA -0.355 61.971 62.300 0.043 0.000 0.931 283 V CB 2.159 34.005 31.823 0.039 0.000 1.010 283 V HN 0.882 nan 8.190 nan 0.000 0.433 284 T N 1.757 116.366 114.554 0.092 0.000 3.107 284 T HA 0.607 4.954 4.350 -0.006 0.000 0.249 284 T C 0.707 175.514 174.700 0.179 0.000 1.096 284 T CA 0.534 62.719 62.100 0.141 0.000 1.012 284 T CB -0.283 68.580 68.868 -0.007 0.000 0.977 284 T HN 1.650 nan 8.240 nan 0.000 0.527 285 G N -1.229 107.636 108.800 0.107 0.000 2.427 285 G HA2 0.558 4.515 3.960 -0.006 0.000 0.306 285 G HA3 0.558 4.515 3.960 -0.006 0.000 0.306 285 G C 0.067 175.026 174.900 0.098 0.000 1.280 285 G CA -0.132 45.069 45.100 0.167 0.000 0.837 285 G HN 0.992 nan 8.290 nan 0.000 0.482 286 G N -0.912 107.991 108.800 0.172 0.000 2.569 286 G HA2 0.238 4.195 3.960 -0.006 0.000 0.259 286 G HA3 0.238 4.195 3.960 -0.006 0.000 0.259 286 G C 0.266 175.191 174.900 0.042 0.000 1.263 286 G CA 0.999 46.211 45.100 0.188 0.000 0.928 286 G HN 2.161 nan 8.290 nan 0.000 0.572 287 I N -2.774 117.803 120.570 0.012 0.000 3.206 287 I HA 0.822 4.989 4.170 -0.006 0.000 0.313 287 I C -0.053 176.039 176.117 -0.042 0.000 1.103 287 I CA -1.560 59.763 61.300 0.039 0.000 0.985 287 I CB 1.934 39.968 38.000 0.057 0.000 1.240 287 I HN 0.558 nan 8.210 nan 0.000 0.464 288 L N 2.170 123.428 121.223 0.057 0.000 2.257 288 L HA 0.436 4.773 4.340 -0.006 0.000 0.290 288 L C -1.074 175.675 176.870 -0.202 0.000 1.044 288 L CA 0.052 54.858 54.840 -0.056 0.000 0.810 288 L CB 0.672 42.881 42.059 0.250 0.000 1.193 288 L HN 0.595 nan 8.230 nan 0.000 0.425 289 D N 3.911 124.007 120.400 -0.506 0.000 2.346 289 D HA 0.325 4.962 4.640 -0.006 0.000 0.255 289 D C -1.182 174.621 176.300 -0.827 0.000 1.276 289 D CA -0.195 53.467 54.000 -0.563 0.000 0.941 289 D CB 0.630 41.196 40.800 -0.391 0.000 1.199 289 D HN 0.022 nan 8.370 nan 0.000 0.537 290 F N 2.219 121.574 119.950 -0.991 0.000 2.450 290 F HA 0.495 5.018 4.527 -0.006 0.000 0.332 290 F C -0.287 174.954 175.800 -0.932 0.000 1.093 290 F CA -0.576 56.848 58.000 -0.959 0.000 1.003 290 F CB 1.362 39.552 39.000 -1.349 0.000 1.151 290 F HN 0.155 nan 8.300 nan 0.000 0.474 291 Y N 3.132 123.325 120.300 -0.179 0.000 2.341 291 Y HA 0.588 5.134 4.550 -0.006 0.000 0.338 291 Y C -0.661 175.232 175.900 -0.012 0.000 0.965 291 Y CA -0.893 57.147 58.100 -0.100 0.000 1.108 291 Y CB 1.447 39.937 38.460 0.049 0.000 1.180 291 Y HN 0.278 nan 8.280 nan 0.000 0.458 292 I N 4.810 125.435 120.570 0.091 0.000 2.354 292 I HA 0.343 4.510 4.170 -0.006 0.000 0.292 292 I C -1.204 174.993 176.117 0.134 0.000 0.989 292 I CA -0.374 60.988 61.300 0.104 0.000 1.188 292 I CB 1.068 39.085 38.000 0.027 0.000 1.342 292 I HN 0.334 nan 8.210 nan 0.000 0.457 293 L N 7.510 128.855 121.223 0.204 0.000 2.343 293 L HA 0.511 4.847 4.340 -0.006 0.000 0.278 293 L C -0.756 176.242 176.870 0.214 0.000 0.996 293 L CA -0.331 54.623 54.840 0.190 0.000 0.831 293 L CB 1.255 43.435 42.059 0.203 0.000 1.232 293 L HN 0.323 nan 8.230 nan 0.000 0.413 294 L N 2.609 123.945 121.223 0.187 0.000 2.307 294 L HA 0.891 5.228 4.340 -0.006 0.000 0.282 294 L C 0.663 177.609 176.870 0.126 0.000 1.051 294 L CA 0.134 55.083 54.840 0.182 0.000 0.804 294 L CB 1.644 43.813 42.059 0.183 0.000 1.197 294 L HN 0.682 nan 8.230 nan 0.000 0.431 295 G N 0.581 109.437 108.800 0.094 0.000 2.660 295 G HA2 0.396 4.353 3.960 -0.006 0.000 0.294 295 G HA3 0.396 4.353 3.960 -0.006 0.000 0.294 295 G C -0.371 174.526 174.900 -0.005 0.000 1.369 295 G CA -0.406 44.713 45.100 0.033 0.000 0.912 295 G HN 0.496 nan 8.290 nan 0.000 0.479 296 D N -0.365 120.017 120.400 -0.030 0.000 2.317 296 D HA 0.101 4.737 4.640 -0.006 0.000 0.211 296 D C 1.481 177.681 176.300 -0.167 0.000 0.966 296 D CA 1.506 55.470 54.000 -0.059 0.000 0.876 296 D CB 0.452 41.236 40.800 -0.027 0.000 0.927 296 D HN 0.602 nan 8.370 nan 0.000 0.519 297 T N -4.707 109.722 114.554 -0.208 0.000 2.843 297 T HA 0.366 4.713 4.350 -0.006 0.000 0.302 297 T C -2.502 172.002 174.700 -0.327 0.000 1.232 297 T CA -1.627 60.233 62.100 -0.401 0.000 1.009 297 T CB 2.322 71.001 68.868 -0.316 0.000 1.254 297 T HN -0.405 nan 8.240 nan 0.000 0.504 298 P HA -0.048 nan 4.420 nan 0.000 0.216 298 P C 1.402 178.418 177.300 -0.473 0.000 1.150 298 P CA 1.012 63.825 63.100 -0.478 0.000 0.837 298 P CB 0.167 31.452 31.700 -0.691 0.000 0.786 299 E N 0.037 119.968 120.200 -0.449 0.000 2.085 299 E HA -0.245 4.102 4.350 -0.006 0.000 0.194 299 E C 2.187 178.760 176.600 -0.045 0.000 0.994 299 E CA 1.414 57.733 56.400 -0.135 0.000 0.801 299 E CB -0.724 28.980 29.700 0.007 0.000 0.743 299 E HN 0.178 nan 8.360 nan 0.000 0.453 300 Q N -0.564 119.196 119.800 -0.067 0.000 2.170 300 Q HA -0.120 4.217 4.340 -0.006 0.000 0.203 300 Q C 2.046 178.048 176.000 0.004 0.000 0.976 300 Q CA 1.491 57.279 55.803 -0.024 0.000 0.858 300 Q CB 0.116 28.836 28.738 -0.030 0.000 0.907 300 Q HN 0.253 nan 8.270 nan 0.000 0.433 301 V N -0.274 119.640 119.914 0.001 0.000 2.295 301 V HA -0.251 3.866 4.120 -0.006 0.000 0.246 301 V C 2.234 178.401 176.094 0.120 0.000 1.049 301 V CA 1.528 63.874 62.300 0.076 0.000 1.024 301 V CB -0.454 31.413 31.823 0.074 0.000 0.648 301 V HN 0.252 nan 8.190 nan 0.000 0.447 302 V N -0.387 119.594 119.914 0.111 0.000 2.343 302 V HA -0.325 3.791 4.120 -0.006 0.000 0.247 302 V C 2.475 178.592 176.094 0.039 0.000 1.051 302 V CA 2.077 64.447 62.300 0.116 0.000 1.036 302 V CB -0.793 31.137 31.823 0.178 0.000 0.654 302 V HN 0.582 nan 8.190 nan 0.000 0.451 303 Q N -0.678 119.135 119.800 0.022 0.000 2.061 303 Q HA -0.256 4.081 4.340 -0.006 0.000 0.204 303 Q C 2.466 178.436 176.000 -0.050 0.000 0.984 303 Q CA 1.571 57.365 55.803 -0.014 0.000 0.846 303 Q CB -0.253 28.489 28.738 0.007 0.000 0.902 303 Q HN 0.594 nan 8.270 nan 0.000 0.421 304 Q N -0.245 119.542 119.800 -0.021 0.000 2.084 304 Q HA -0.195 4.142 4.340 -0.006 0.000 0.202 304 Q C 1.890 177.821 176.000 -0.115 0.000 0.978 304 Q CA 1.333 57.114 55.803 -0.037 0.000 0.844 304 Q CB -0.500 28.253 28.738 0.025 0.000 0.898 304 Q HN 0.484 nan 8.270 nan 0.000 0.426 305 Y N 1.892 122.017 120.300 -0.292 0.000 2.128 305 Y HA -0.256 4.291 4.550 -0.005 0.000 0.284 305 Y C 2.178 177.779 175.900 -0.499 0.000 1.154 305 Y CA 2.005 59.780 58.100 -0.540 0.000 1.149 305 Y CB -0.151 37.714 38.460 -0.991 0.000 0.976 305 Y HN 0.168 nan 8.280 nan 0.000 0.505 306 Q N -0.456 119.058 119.800 -0.477 0.000 2.119 306 Q HA -0.240 4.097 4.340 -0.006 0.000 0.201 306 Q C 2.333 178.066 176.000 -0.444 0.000 0.972 306 Q CA 1.504 57.003 55.803 -0.506 0.000 0.847 306 Q CB -0.213 28.352 28.738 -0.288 0.000 0.903 306 Q HN 0.588 nan 8.270 nan 0.000 0.433 307 Q N 0.383 120.001 119.800 -0.303 0.000 2.096 307 Q HA -0.213 4.124 4.340 -0.006 0.000 0.204 307 Q C 1.965 177.848 176.000 -0.196 0.000 0.982 307 Q CA 1.274 56.955 55.803 -0.203 0.000 0.850 307 Q CB -0.036 28.626 28.738 -0.126 0.000 0.901 307 Q HN 0.295 nan 8.270 nan 0.000 0.422 308 L N -0.528 120.493 121.223 -0.337 0.000 2.007 308 L HA -0.096 4.240 4.340 -0.006 0.000 0.205 308 L C 2.084 178.726 176.870 -0.380 0.000 1.073 308 L CA 1.800 56.409 54.840 -0.386 0.000 0.744 308 L CB -0.548 41.156 42.059 -0.591 0.000 0.898 308 L HN 0.244 nan 8.230 nan 0.000 0.435 309 V N -2.237 117.260 119.914 -0.695 0.000 3.406 309 V HA 0.529 4.646 4.120 -0.006 0.000 0.263 309 V C 0.860 176.633 176.094 -0.535 0.000 1.172 309 V CA 0.280 62.194 62.300 -0.643 0.000 1.140 309 V CB -1.022 30.187 31.823 -1.022 0.000 0.784 309 V HN 0.720 nan 8.190 nan 0.000 0.467 310 G N 0.277 108.577 108.800 -0.833 0.000 3.239 310 G HA2 0.042 3.999 3.960 -0.006 0.000 0.666 310 G HA3 0.042 3.999 3.960 -0.006 0.000 0.666 310 G C -0.945 173.536 174.900 -0.698 0.000 1.313 310 G CA -0.618 43.732 45.100 -1.250 0.000 1.001 310 G HN 0.405 nan 8.290 nan 0.000 0.573 311 L N 3.830 124.692 121.223 -0.603 0.000 2.485 311 L HA 0.310 4.647 4.340 -0.006 0.000 0.275 311 L C -1.131 175.553 176.870 -0.311 0.000 1.207 311 L CA -1.374 53.219 54.840 -0.411 0.000 0.855 311 L CB 0.527 42.322 42.059 -0.440 0.000 1.114 311 L HN 0.401 nan 8.230 nan 0.000 0.485 312 P HA 0.051 nan 4.420 nan 0.000 0.268 312 P C -0.665 176.650 177.300 0.025 0.000 1.205 312 P CA -0.405 62.642 63.100 -0.088 0.000 0.771 312 P CB 0.715 32.401 31.700 -0.023 0.000 0.858 313 A N 3.856 126.657 122.820 -0.032 0.000 2.531 313 A HA 0.140 4.457 4.320 -0.006 0.000 0.236 313 A C 0.569 178.075 177.584 -0.130 0.000 1.062 313 A CA -0.049 51.957 52.037 -0.051 0.000 0.760 313 A CB -0.458 18.479 19.000 -0.105 0.000 0.995 313 A HN 0.601 nan 8.150 nan 0.000 0.501 314 M N 5.024 124.382 119.600 -0.403 0.000 2.184 314 M HA 0.307 4.784 4.480 -0.006 0.000 0.351 314 M C -1.977 174.146 176.300 -0.295 0.000 1.395 314 M CA -1.962 53.072 55.300 -0.443 0.000 1.117 314 M CB 0.442 32.608 32.600 -0.723 0.000 1.708 314 M HN 0.485 nan 8.290 nan 0.000 0.468 315 P HA 0.286 nan 4.420 nan 0.000 0.276 315 P C -1.277 175.900 177.300 -0.205 0.000 1.244 315 P CA -0.531 62.376 63.100 -0.321 0.000 0.801 315 P CB 0.456 31.834 31.700 -0.537 0.000 1.006 316 A N 1.549 124.201 122.820 -0.280 0.000 2.445 316 A HA -0.014 4.303 4.320 -0.006 0.000 0.242 316 A C 1.092 178.539 177.584 -0.228 0.000 1.075 316 A CA -0.168 51.731 52.037 -0.231 0.000 0.777 316 A CB -0.666 18.081 19.000 -0.423 0.000 1.013 316 A HN 0.690 nan 8.150 nan 0.000 0.493 317 Y N 1.662 121.829 120.300 -0.222 0.000 2.207 317 Y HA -0.255 4.291 4.550 -0.005 0.000 0.287 317 Y C 2.103 177.882 175.900 -0.202 0.000 1.156 317 Y CA 2.759 60.653 58.100 -0.343 0.000 1.182 317 Y CB -0.085 38.021 38.460 -0.589 0.000 0.979 317 Y HN 0.888 nan 8.280 nan 0.000 0.521 318 W N 0.159 121.450 121.300 -0.016 0.000 2.465 318 W HA -0.149 4.507 4.660 -0.006 0.000 0.268 318 W C 0.973 177.389 176.519 -0.171 0.000 1.242 318 W CA 0.877 58.181 57.345 -0.069 0.000 1.248 318 W CB -1.122 28.306 29.460 -0.052 0.000 1.118 318 W HN 0.112 nan 8.180 nan 0.000 0.587 319 N N 1.959 120.155 118.700 -0.840 0.000 2.348 319 N HA -0.143 4.594 4.740 -0.006 0.000 0.185 319 N C 1.748 177.007 175.510 -0.418 0.000 1.019 319 N CA 1.565 54.083 53.050 -0.887 0.000 0.880 319 N CB -0.784 37.253 38.487 -0.750 0.000 0.965 319 N HN 0.353 nan 8.380 nan 0.000 0.437 320 L N -0.420 120.594 121.223 -0.348 0.000 2.558 320 L HA 0.205 4.542 4.340 -0.006 0.000 0.225 320 L C 1.299 178.034 176.870 -0.225 0.000 1.128 320 L CA -0.318 54.355 54.840 -0.277 0.000 0.868 320 L CB -0.473 41.350 42.059 -0.393 0.000 1.006 320 L HN 0.015 nan 8.230 nan 0.000 0.454 321 G N -0.285 108.418 108.800 -0.162 0.000 2.569 321 G HA2 0.098 4.055 3.960 -0.006 0.000 0.249 321 G HA3 0.098 4.055 3.960 -0.006 0.000 0.249 321 G C -0.723 174.273 174.900 0.159 0.000 1.216 321 G CA -0.401 44.678 45.100 -0.035 0.000 0.845 321 G HN -0.065 nan 8.290 nan 0.000 0.568 322 F N 0.471 120.573 119.950 0.253 0.000 2.518 322 F HA 0.266 4.790 4.527 -0.006 0.000 0.359 322 F C 0.738 176.646 175.800 0.181 0.000 1.118 322 F CA -0.098 58.015 58.000 0.188 0.000 1.287 322 F CB 0.721 39.895 39.000 0.289 0.000 1.132 322 F HN 0.383 nan 8.300 nan 0.000 0.587 323 Q N 6.280 125.639 119.800 -0.735 0.000 2.309 323 Q HA 0.529 4.866 4.340 -0.006 0.000 0.264 323 Q C -1.255 174.267 176.000 -0.797 0.000 1.008 323 Q CA -0.968 54.515 55.803 -0.534 0.000 0.853 323 Q CB 2.720 31.232 28.738 -0.377 0.000 1.314 323 Q HN 0.625 nan 8.270 nan 0.000 0.448 324 L N 1.207 122.242 121.223 -0.313 0.000 2.317 324 L HA 0.678 5.014 4.340 -0.006 0.000 0.281 324 L C -0.260 176.656 176.870 0.076 0.000 1.024 324 L CA -0.472 54.262 54.840 -0.177 0.000 0.810 324 L CB 1.923 43.896 42.059 -0.144 0.000 1.240 324 L HN 0.619 nan 8.230 nan 0.000 0.427 325 S N 2.776 118.577 115.700 0.169 0.000 2.552 325 S HA 0.780 5.247 4.470 -0.006 0.000 0.272 325 S C -1.554 173.245 174.600 0.331 0.000 1.150 325 S CA -0.779 57.625 58.200 0.339 0.000 0.849 325 S CB 1.796 65.076 63.200 0.134 0.000 1.113 325 S HN 0.775 nan 8.310 nan 0.000 0.458 326 R N 1.321 121.959 120.500 0.230 0.000 2.690 326 R HA 0.459 4.795 4.340 -0.006 0.000 0.269 326 R C -2.052 174.371 176.300 0.204 0.000 1.037 326 R CA -0.928 55.174 56.100 0.004 0.000 0.877 326 R CB 0.048 30.096 30.300 -0.419 0.000 1.255 326 R HN 0.506 nan 8.270 nan 0.000 0.467 327 W N 4.164 125.501 121.300 0.060 0.000 2.356 327 W HA 0.290 4.947 4.660 -0.006 0.000 0.311 327 W C -0.219 176.250 176.519 -0.084 0.000 1.328 327 W CA -0.026 57.370 57.345 0.085 0.000 1.251 327 W CB -0.045 29.513 29.460 0.164 0.000 1.280 327 W HN 0.883 nan 8.180 nan 0.000 0.524 328 N N 5.141 123.981 118.700 0.233 0.000 2.688 328 N HA -0.279 4.458 4.740 -0.006 0.000 0.261 328 N C 0.099 175.615 175.510 0.010 0.000 1.116 328 N CA 0.712 53.780 53.050 0.030 0.000 0.689 328 N CB -1.701 36.616 38.487 -0.284 0.000 0.882 328 N HN 0.519 nan 8.380 nan 0.000 0.554 329 Y N 0.948 121.373 120.300 0.209 0.000 2.333 329 Y HA -0.122 4.425 4.550 -0.005 0.000 0.290 329 Y C 1.961 177.944 175.900 0.138 0.000 1.144 329 Y CA 1.833 60.051 58.100 0.197 0.000 1.228 329 Y CB 0.107 38.717 38.460 0.250 0.000 0.985 329 Y HN 0.434 nan 8.280 nan 0.000 0.542 330 K N -1.556 119.050 120.400 0.343 0.000 3.154 330 K HA -0.191 4.125 4.320 -0.006 0.000 0.381 330 K C 0.275 176.979 176.600 0.173 0.000 0.570 330 K CA 1.065 57.483 56.287 0.220 0.000 1.679 330 K CB -1.564 30.985 32.500 0.081 0.000 1.050 330 K HN 0.369 nan 8.250 nan 0.000 0.446 331 S N -0.583 115.092 115.700 -0.042 0.000 2.579 331 S HA 0.503 4.969 4.470 -0.006 0.000 0.272 331 S C 0.295 174.372 174.600 -0.870 0.000 1.141 331 S CA -0.675 57.228 58.200 -0.496 0.000 0.843 331 S CB 2.252 65.300 63.200 -0.254 0.000 1.122 331 S HN 0.128 nan 8.310 nan 0.000 0.468 332 L N 1.364 121.785 121.223 -1.336 0.000 2.127 332 L HA 0.004 4.340 4.340 -0.006 0.000 0.211 332 L C 1.720 178.267 176.870 -0.539 0.000 1.089 332 L CA 2.122 56.401 54.840 -0.934 0.000 0.757 332 L CB -0.910 40.739 42.059 -0.684 0.000 0.899 332 L HN 0.838 nan 8.230 nan 0.000 0.434 333 D N -0.851 119.322 120.400 -0.377 0.000 2.123 333 D HA -0.187 4.450 4.640 -0.006 0.000 0.196 333 D C 2.312 178.496 176.300 -0.193 0.000 0.992 333 D CA 1.731 55.593 54.000 -0.231 0.000 0.833 333 D CB -0.272 40.435 40.800 -0.155 0.000 0.954 333 D HN 0.289 nan 8.370 nan 0.000 0.455 334 V N 0.696 120.510 119.914 -0.167 0.000 2.307 334 V HA -0.201 3.915 4.120 -0.006 0.000 0.245 334 V C 2.713 178.715 176.094 -0.153 0.000 1.045 334 V CA 0.962 63.219 62.300 -0.072 0.000 1.024 334 V CB -0.475 31.402 31.823 0.090 0.000 0.651 334 V HN 0.047 nan 8.190 nan 0.000 0.449 335 V N -0.057 119.665 119.914 -0.320 0.000 2.282 335 V HA -0.346 3.771 4.120 -0.006 0.000 0.249 335 V C 2.438 178.308 176.094 -0.373 0.000 1.057 335 V CA 2.325 64.285 62.300 -0.565 0.000 1.032 335 V CB -0.781 30.628 31.823 -0.689 0.000 0.645 335 V HN 0.544 nan 8.190 nan 0.000 0.447 336 K N -0.394 119.793 120.400 -0.354 0.000 2.097 336 K HA -0.226 4.090 4.320 -0.006 0.000 0.206 336 K C 2.231 178.788 176.600 -0.072 0.000 1.049 336 K CA 1.564 57.755 56.287 -0.160 0.000 0.933 336 K CB -0.178 32.233 32.500 -0.148 0.000 0.717 336 K HN 0.347 nan 8.250 nan 0.000 0.442 337 E N 0.835 120.978 120.200 -0.096 0.000 2.072 337 E HA -0.113 4.234 4.350 -0.006 0.000 0.191 337 E C 1.789 178.360 176.600 -0.048 0.000 0.985 337 E CA 0.894 57.259 56.400 -0.059 0.000 0.801 337 E CB -0.111 29.552 29.700 -0.062 0.000 0.750 337 E HN -0.002 nan 8.360 nan 0.000 0.452 338 V N -0.129 119.740 119.914 -0.075 0.000 2.255 338 V HA -0.262 3.855 4.120 -0.006 0.000 0.247 338 V C 2.468 178.563 176.094 0.001 0.000 1.051 338 V CA 1.690 63.960 62.300 -0.049 0.000 1.018 338 V CB -0.635 31.180 31.823 -0.014 0.000 0.641 338 V HN 0.157 nan 8.190 nan 0.000 0.445 339 V N -0.087 119.858 119.914 0.051 0.000 2.282 339 V HA -0.325 3.792 4.120 -0.006 0.000 0.249 339 V C 2.611 178.800 176.094 0.158 0.000 1.057 339 V CA 2.564 64.985 62.300 0.201 0.000 1.032 339 V CB -0.796 31.177 31.823 0.250 0.000 0.645 339 V HN 0.490 nan 8.190 nan 0.000 0.447 340 R N 0.454 120.995 120.500 0.069 0.000 2.083 340 R HA -0.226 4.111 4.340 -0.006 0.000 0.237 340 R C 2.609 178.940 176.300 0.051 0.000 1.137 340 R CA 2.227 58.352 56.100 0.041 0.000 0.951 340 R CB -0.250 30.058 30.300 0.014 0.000 0.851 340 R HN 0.696 nan 8.270 nan 0.000 0.434 341 R N -0.333 120.190 120.500 0.038 0.000 2.115 341 R HA 0.001 4.338 4.340 -0.006 0.000 0.230 341 R C 1.711 178.043 176.300 0.053 0.000 1.111 341 R CA 1.525 57.646 56.100 0.035 0.000 0.976 341 R CB -0.505 29.807 30.300 0.021 0.000 0.870 341 R HN 0.247 nan 8.270 nan 0.000 0.445 342 N N 0.929 119.665 118.700 0.059 0.000 2.250 342 N HA -0.030 4.707 4.740 -0.006 0.000 0.181 342 N C 1.750 177.389 175.510 0.215 0.000 1.017 342 N CA 0.787 53.872 53.050 0.058 0.000 0.866 342 N CB -0.068 38.303 38.487 -0.193 0.000 0.985 342 N HN 0.312 nan 8.380 nan 0.000 0.429 343 R N 1.302 121.979 120.500 0.295 0.000 2.083 343 R HA -0.125 4.212 4.340 -0.006 0.000 0.237 343 R C 2.041 178.409 176.300 0.113 0.000 1.137 343 R CA 1.179 57.404 56.100 0.210 0.000 0.951 343 R CB -0.221 30.141 30.300 0.103 0.000 0.851 343 R HN 0.371 nan 8.270 nan 0.000 0.434 344 E N 0.332 120.581 120.200 0.082 0.000 2.153 344 E HA -0.165 4.182 4.350 -0.006 0.000 0.194 344 E C 1.556 178.184 176.600 0.046 0.000 0.988 344 E CA 1.130 57.561 56.400 0.052 0.000 0.811 344 E CB 0.020 29.742 29.700 0.037 0.000 0.746 344 E HN 0.390 nan 8.360 nan 0.000 0.466 345 A N 0.034 122.887 122.820 0.055 0.000 2.206 345 A HA 0.180 4.497 4.320 -0.006 0.000 0.211 345 A C 1.626 179.233 177.584 0.039 0.000 1.158 345 A CA 0.923 52.985 52.037 0.042 0.000 0.761 345 A CB -0.410 18.616 19.000 0.043 0.000 0.801 345 A HN 0.429 nan 8.150 nan 0.000 0.473 346 G N -0.380 108.453 108.800 0.056 0.000 2.221 346 G HA2 -0.198 3.759 3.960 -0.006 0.000 0.265 346 G HA3 -0.198 3.759 3.960 -0.006 0.000 0.265 346 G C -0.044 174.877 174.900 0.035 0.000 1.041 346 G CA 0.153 45.278 45.100 0.041 0.000 0.807 346 G HN 0.324 nan 8.290 nan 0.000 0.502 347 I N 1.126 121.750 120.570 0.089 0.000 2.436 347 I HA 0.190 4.357 4.170 -0.006 0.000 0.289 347 I C -1.775 174.449 176.117 0.179 0.000 1.083 347 I CA -2.660 58.692 61.300 0.086 0.000 1.372 347 I CB 0.425 38.476 38.000 0.085 0.000 1.408 347 I HN -0.085 nan 8.210 nan 0.000 0.516 348 P HA 0.191 nan 4.420 nan 0.000 0.271 348 P C -0.900 176.533 177.300 0.221 0.000 1.226 348 P CA 0.222 63.192 63.100 -0.217 0.000 0.765 348 P CB 0.046 31.238 31.700 -0.847 0.000 0.835 349 F N 0.130 120.131 119.950 0.085 0.000 2.639 349 F HA 0.412 4.936 4.527 -0.005 0.000 0.326 349 F C -0.156 175.786 175.800 0.237 0.000 1.150 349 F CA -0.890 57.299 58.000 0.314 0.000 1.057 349 F CB 0.971 40.198 39.000 0.378 0.000 1.300 349 F HN -0.005 nan 8.300 nan 0.000 0.486 350 D N 1.536 122.107 120.400 0.285 0.000 2.249 350 D HA 0.117 4.754 4.640 -0.006 0.000 0.205 350 D C 0.011 176.333 176.300 0.037 0.000 0.962 350 D CA 1.522 55.600 54.000 0.129 0.000 0.860 350 D CB 0.461 41.417 40.800 0.261 0.000 0.955 350 D HN 0.599 nan 8.370 nan 0.000 0.505 351 T N -0.076 114.572 114.554 0.157 0.000 2.921 351 T HA 0.374 4.720 4.350 -0.006 0.000 0.297 351 T C -0.975 173.885 174.700 0.267 0.000 1.013 351 T CA -0.768 61.431 62.100 0.165 0.000 0.990 351 T CB 2.280 71.245 68.868 0.162 0.000 1.023 351 T HN -0.254 nan 8.240 nan 0.000 0.447 352 Q N 2.502 122.470 119.800 0.280 0.000 2.290 352 Q HA 0.631 4.968 4.340 -0.006 0.000 0.259 352 Q C -1.240 174.965 176.000 0.343 0.000 0.941 352 Q CA -0.498 55.518 55.803 0.355 0.000 0.912 352 Q CB 1.081 30.074 28.738 0.426 0.000 1.244 352 Q HN 0.524 nan 8.270 nan 0.000 0.441 353 V N 3.284 123.375 119.914 0.295 0.000 2.547 353 V HA 0.607 4.724 4.120 -0.006 0.000 0.299 353 V C -0.160 176.181 176.094 0.412 0.000 1.040 353 V CA -0.704 61.753 62.300 0.262 0.000 0.913 353 V CB 2.029 33.948 31.823 0.159 0.000 0.992 353 V HN 0.827 nan 8.190 nan 0.000 0.449 354 T N 3.155 117.914 114.554 0.341 0.000 2.812 354 T HA 0.304 4.651 4.350 -0.006 0.000 0.282 354 T C -0.397 174.568 174.700 0.441 0.000 0.990 354 T CA -0.285 62.083 62.100 0.446 0.000 0.960 354 T CB 1.274 70.382 68.868 0.400 0.000 0.948 354 T HN 0.836 nan 8.240 nan 0.000 0.438 355 D N 1.430 122.112 120.400 0.469 0.000 2.469 355 D HA 0.210 4.847 4.640 -0.006 0.000 0.278 355 D C 1.914 178.275 176.300 0.102 0.000 1.231 355 D CA -0.577 53.565 54.000 0.236 0.000 1.075 355 D CB 0.665 41.646 40.800 0.303 0.000 1.121 355 D HN 0.580 nan 8.370 nan 0.000 0.571 356 I N -1.186 119.277 120.570 -0.179 0.000 2.700 356 I HA -0.162 4.005 4.170 -0.006 0.000 0.261 356 I C 1.300 177.247 176.117 -0.283 0.000 1.219 356 I CA 0.979 62.066 61.300 -0.355 0.000 1.463 356 I CB -0.466 37.238 38.000 -0.493 0.000 1.092 356 I HN 0.196 nan 8.210 nan 0.000 0.452 357 D N 2.142 122.517 120.400 -0.042 0.000 2.265 357 D HA -0.308 4.328 4.640 -0.006 0.000 0.208 357 D C 2.083 178.232 176.300 -0.253 0.000 0.977 357 D CA 1.608 55.607 54.000 -0.002 0.000 0.871 357 D CB -0.951 39.981 40.800 0.220 0.000 0.925 357 D HN 0.758 nan 8.370 nan 0.000 0.485 358 Y N 0.708 120.694 120.300 -0.524 0.000 2.403 358 Y HA 0.103 4.650 4.550 -0.005 0.000 0.291 358 Y C 1.297 176.976 175.900 -0.369 0.000 1.143 358 Y CA -0.330 57.139 58.100 -1.050 0.000 1.257 358 Y CB -0.643 37.429 38.460 -0.646 0.000 0.984 358 Y HN -0.185 nan 8.280 nan 0.000 0.550 359 M N 1.633 120.781 119.600 -0.754 0.000 2.228 359 M HA 0.070 4.547 4.480 -0.006 0.000 0.326 359 M C 0.213 176.402 176.300 -0.185 0.000 1.122 359 M CA -0.082 54.915 55.300 -0.505 0.000 1.161 359 M CB 0.642 32.861 32.600 -0.635 0.000 1.437 359 M HN 0.167 nan 8.290 nan 0.000 0.465 360 E N 1.739 121.875 120.200 -0.107 0.000 2.166 360 E HA -0.041 4.306 4.350 -0.006 0.000 0.279 360 E C -0.787 175.738 176.600 -0.124 0.000 1.095 360 E CA -0.130 56.221 56.400 -0.081 0.000 0.888 360 E CB 0.166 29.823 29.700 -0.072 0.000 1.041 360 E HN 0.565 nan 8.360 nan 0.000 0.414 361 D N 4.664 125.013 120.400 -0.085 0.000 2.751 361 D HA -0.227 4.409 4.640 -0.006 0.000 0.233 361 D C -0.338 175.905 176.300 -0.095 0.000 1.149 361 D CA 1.356 55.311 54.000 -0.076 0.000 0.682 361 D CB -0.791 39.958 40.800 -0.085 0.000 1.068 361 D HN 0.806 nan 8.370 nan 0.000 0.429 362 K N -2.082 118.241 120.400 -0.128 0.000 3.160 362 K HA -0.253 4.064 4.320 -0.006 0.000 0.280 362 K C -0.034 176.471 176.600 -0.159 0.000 1.154 362 K CA 1.058 57.263 56.287 -0.138 0.000 0.822 362 K CB -1.040 31.465 32.500 0.009 0.000 1.239 362 K HN 0.361 nan 8.250 nan 0.000 0.489 363 K N 1.637 121.902 120.400 -0.224 0.000 2.201 363 K HA 0.158 4.475 4.320 -0.006 0.000 0.278 363 K C -0.131 176.338 176.600 -0.219 0.000 1.027 363 K CA -0.878 55.264 56.287 -0.242 0.000 0.909 363 K CB 0.837 33.043 32.500 -0.489 0.000 1.062 363 K HN -0.004 nan 8.250 nan 0.000 0.465 364 D N 1.578 121.887 120.400 -0.151 0.000 2.478 364 D HA -0.064 4.572 4.640 -0.006 0.000 0.234 364 D C 0.232 176.312 176.300 -0.366 0.000 1.154 364 D CA 0.644 54.377 54.000 -0.445 0.000 0.874 364 D CB 0.091 40.566 40.800 -0.541 0.000 1.198 364 D HN 0.441 nan 8.370 nan 0.000 0.455 365 F N -1.828 117.791 119.950 -0.551 0.000 3.018 365 F HA -0.252 4.272 4.527 -0.005 0.000 0.287 365 F C 0.821 176.256 175.800 -0.610 0.000 0.813 365 F CA 0.809 58.227 58.000 -0.971 0.000 1.209 365 F CB -2.650 36.112 39.000 -0.396 0.000 1.321 365 F HN 0.309 nan 8.300 nan 0.000 0.477 366 T N -2.257 112.118 114.554 -0.298 0.000 2.896 366 T HA 0.780 5.127 4.350 -0.006 0.000 0.297 366 T C -0.817 174.108 174.700 0.374 0.000 1.108 366 T CA -0.545 61.638 62.100 0.138 0.000 1.004 366 T CB 3.098 71.989 68.868 0.038 0.000 1.159 366 T HN 0.539 nan 8.240 nan 0.000 0.499 367 Y N -0.713 119.805 120.300 0.363 0.000 2.545 367 Y HA 0.693 5.240 4.550 -0.006 0.000 0.348 367 Y C -0.596 175.426 175.900 0.203 0.000 1.002 367 Y CA -1.362 56.935 58.100 0.329 0.000 1.039 367 Y CB 1.303 40.058 38.460 0.492 0.000 1.271 367 Y HN 0.599 nan 8.280 nan 0.000 0.467 368 D N 2.837 123.379 120.400 0.236 0.000 2.342 368 D HA 0.001 4.638 4.640 -0.006 0.000 0.260 368 D C 0.568 176.971 176.300 0.170 0.000 1.278 368 D CA 0.326 54.426 54.000 0.165 0.000 0.910 368 D CB 1.019 41.981 40.800 0.271 0.000 1.079 368 D HN 0.666 nan 8.370 nan 0.000 0.496 369 Q N 2.615 122.397 119.800 -0.030 0.000 2.364 369 Q HA -0.055 4.281 4.340 -0.006 0.000 0.207 369 Q C 1.583 177.625 176.000 0.070 0.000 0.970 369 Q CA 0.581 56.361 55.803 -0.037 0.000 0.888 369 Q CB 0.183 28.864 28.738 -0.095 0.000 0.951 369 Q HN 0.436 nan 8.270 nan 0.000 0.469 370 V N 0.232 120.198 119.914 0.087 0.000 2.423 370 V HA 0.013 4.130 4.120 -0.006 0.000 0.233 370 V C 2.103 178.251 176.094 0.090 0.000 1.067 370 V CA 1.421 63.765 62.300 0.073 0.000 1.073 370 V CB -1.060 30.795 31.823 0.053 0.000 0.715 370 V HN 0.246 nan 8.190 nan 0.000 0.485 371 A N -1.250 121.652 122.820 0.136 0.000 2.067 371 A HA 0.001 4.318 4.320 -0.006 0.000 0.219 371 A C 1.499 179.047 177.584 -0.060 0.000 1.158 371 A CA 1.405 53.483 52.037 0.070 0.000 0.661 371 A CB -0.428 18.670 19.000 0.163 0.000 0.801 371 A HN 0.529 nan 8.150 nan 0.000 0.452 372 F N -0.378 119.656 119.950 0.140 0.000 2.805 372 F HA 0.260 4.784 4.527 -0.006 0.000 0.317 372 F C 0.387 176.343 175.800 0.261 0.000 1.146 372 F CA -1.404 56.710 58.000 0.189 0.000 1.265 372 F CB -0.307 38.871 39.000 0.296 0.000 0.992 372 F HN 0.113 nan 8.300 nan 0.000 0.511 373 N N 1.333 120.190 118.700 0.261 0.000 2.359 373 N HA 0.250 4.987 4.740 -0.006 0.000 0.261 373 N C 1.188 176.793 175.510 0.158 0.000 1.267 373 N CA 1.745 54.925 53.050 0.215 0.000 0.864 373 N CB 0.509 39.057 38.487 0.102 0.000 1.063 373 N HN 0.561 nan 8.380 nan 0.000 0.474 374 G N 2.483 111.394 108.800 0.184 0.000 2.141 374 G HA2 -0.289 3.668 3.960 -0.006 0.000 0.242 374 G HA3 -0.289 3.668 3.960 -0.006 0.000 0.242 374 G C 0.707 175.640 174.900 0.055 0.000 0.982 374 G CA 0.297 45.450 45.100 0.089 0.000 0.662 374 G HN 0.625 nan 8.290 nan 0.000 0.527 375 L N 1.194 122.446 121.223 0.050 0.000 2.042 375 L HA 0.107 4.443 4.340 -0.006 0.000 0.210 375 L C 0.392 177.171 176.870 -0.150 0.000 1.076 375 L CA 3.156 57.963 54.840 -0.054 0.000 0.749 375 L CB -1.117 40.829 42.059 -0.189 0.000 0.893 375 L HN 0.213 nan 8.230 nan 0.000 0.432 376 P HA -0.165 nan 4.420 nan 0.000 0.216 376 P C 1.334 178.539 177.300 -0.159 0.000 1.150 376 P CA 1.365 64.338 63.100 -0.212 0.000 0.837 376 P CB 0.046 31.655 31.700 -0.152 0.000 0.786 377 Q N -2.234 117.518 119.800 -0.081 0.000 2.245 377 Q HA -0.042 4.295 4.340 -0.006 0.000 0.201 377 Q C 1.798 177.758 176.000 -0.066 0.000 0.955 377 Q CA 0.872 56.637 55.803 -0.064 0.000 0.870 377 Q CB -1.070 27.658 28.738 -0.017 0.000 0.945 377 Q HN 0.245 nan 8.270 nan 0.000 0.461 378 F N 0.023 119.854 119.950 -0.198 0.000 2.146 378 F HA -0.153 4.371 4.527 -0.005 0.000 0.298 378 F C 1.624 177.221 175.800 -0.338 0.000 1.096 378 F CA 0.886 58.745 58.000 -0.234 0.000 1.275 378 F CB -0.182 38.676 39.000 -0.237 0.000 1.008 378 F HN -0.140 nan 8.300 nan 0.000 0.480 379 V N 0.449 120.016 119.914 -0.577 0.000 2.407 379 V HA -0.311 3.806 4.120 -0.006 0.000 0.248 379 V C 2.389 178.008 176.094 -0.791 0.000 1.055 379 V CA 2.054 63.856 62.300 -0.830 0.000 1.049 379 V CB -0.957 30.483 31.823 -0.639 0.000 0.662 379 V HN 0.363 nan 8.190 nan 0.000 0.455 380 Q N 0.768 120.293 119.800 -0.458 0.000 2.096 380 Q HA -0.251 4.086 4.340 -0.006 0.000 0.204 380 Q C 1.853 177.714 176.000 -0.232 0.000 0.982 380 Q CA 2.407 58.046 55.803 -0.273 0.000 0.850 380 Q CB -0.611 28.039 28.738 -0.147 0.000 0.901 380 Q HN 0.733 nan 8.270 nan 0.000 0.422 381 D N -1.011 119.234 120.400 -0.258 0.000 2.123 381 D HA -0.161 4.476 4.640 -0.006 0.000 0.196 381 D C 1.758 177.956 176.300 -0.170 0.000 0.992 381 D CA 1.316 55.221 54.000 -0.159 0.000 0.833 381 D CB -0.125 40.585 40.800 -0.150 0.000 0.954 381 D HN 0.352 nan 8.370 nan 0.000 0.455 382 L N -0.546 120.383 121.223 -0.490 0.000 2.012 382 L HA -0.191 4.146 4.340 -0.006 0.000 0.210 382 L C 2.403 179.189 176.870 -0.140 0.000 1.073 382 L CA 1.575 56.172 54.840 -0.406 0.000 0.748 382 L CB -0.690 41.007 42.059 -0.603 0.000 0.891 382 L HN 0.314 nan 8.230 nan 0.000 0.431 383 H N -0.831 118.114 119.070 -0.208 0.000 2.421 383 H HA -0.160 4.393 4.556 -0.006 0.000 0.298 383 H C 1.753 177.005 175.328 -0.128 0.000 1.087 383 H CA 0.777 56.726 56.048 -0.165 0.000 1.330 383 H CB 0.159 29.825 29.762 -0.160 0.000 1.388 383 H HN 0.350 nan 8.280 nan 0.000 0.526 384 D N 0.163 120.566 120.400 0.005 0.000 2.178 384 D HA -0.104 4.532 4.640 -0.006 0.000 0.201 384 D C 1.179 177.373 176.300 -0.177 0.000 0.980 384 D CA 1.265 55.213 54.000 -0.087 0.000 0.842 384 D CB -0.209 40.522 40.800 -0.114 0.000 0.948 384 D HN 0.548 nan 8.370 nan 0.000 0.472 385 H N -1.033 117.978 119.070 -0.099 0.000 2.524 385 H HA 0.332 4.885 4.556 -0.005 0.000 0.280 385 H C 1.344 176.608 175.328 -0.106 0.000 1.018 385 H CA 0.475 56.460 56.048 -0.105 0.000 1.165 385 H CB 0.285 29.967 29.762 -0.133 0.000 1.411 385 H HN 0.123 nan 8.280 nan 0.000 0.569 386 G N 0.589 109.377 108.800 -0.019 0.000 2.160 386 G HA2 -0.315 3.641 3.960 -0.006 0.000 0.251 386 G HA3 -0.315 3.641 3.960 -0.006 0.000 0.251 386 G C 0.165 175.023 174.900 -0.070 0.000 1.008 386 G CA 0.176 45.247 45.100 -0.048 0.000 0.724 386 G HN 0.463 nan 8.290 nan 0.000 0.514 387 Q N -0.854 118.901 119.800 -0.075 0.000 2.194 387 Q HA 0.713 5.050 4.340 -0.006 0.000 0.245 387 Q C -0.016 175.923 176.000 -0.102 0.000 0.993 387 Q CA -0.781 54.946 55.803 -0.126 0.000 0.930 387 Q CB 1.114 29.729 28.738 -0.204 0.000 1.238 387 Q HN 0.072 nan 8.270 nan 0.000 0.486 388 K N 0.600 120.912 120.400 -0.148 0.000 2.340 388 K HA 0.400 4.717 4.320 -0.006 0.000 0.244 388 K C -1.541 175.068 176.600 0.015 0.000 0.973 388 K CA -0.737 55.419 56.287 -0.218 0.000 0.828 388 K CB 1.590 33.643 32.500 -0.744 0.000 1.226 388 K HN 0.521 nan 8.250 nan 0.000 0.437 389 Y N 0.811 121.071 120.300 -0.068 0.000 2.331 389 Y HA 0.397 4.944 4.550 -0.005 0.000 0.334 389 Y C -1.138 174.859 175.900 0.163 0.000 0.960 389 Y CA -1.005 57.114 58.100 0.031 0.000 1.130 389 Y CB 1.170 39.612 38.460 -0.031 0.000 1.164 389 Y HN 0.198 nan 8.280 nan 0.000 0.458 390 V N 8.091 127.912 119.914 -0.154 0.000 2.459 390 V HA 0.505 4.621 4.120 -0.006 0.000 0.295 390 V C -0.072 175.818 176.094 -0.340 0.000 1.029 390 V CA -0.793 61.463 62.300 -0.072 0.000 0.874 390 V CB 1.514 33.474 31.823 0.227 0.000 0.985 390 V HN 0.699 nan 8.190 nan 0.000 0.438 391 I N 2.460 122.858 120.570 -0.287 0.000 2.648 391 I HA 0.655 4.821 4.170 -0.006 0.000 0.304 391 I C -0.313 175.797 176.117 -0.010 0.000 1.009 391 I CA -0.779 60.350 61.300 -0.285 0.000 1.114 391 I CB 1.929 39.627 38.000 -0.503 0.000 1.293 391 I HN 0.533 nan 8.210 nan 0.000 0.449 392 I N 5.097 125.695 120.570 0.046 0.000 2.519 392 I HA 0.387 4.553 4.170 -0.006 0.000 0.287 392 I C -0.967 175.054 176.117 -0.161 0.000 1.047 392 I CA -0.405 60.761 61.300 -0.223 0.000 1.381 392 I CB 0.863 38.465 38.000 -0.662 0.000 1.417 392 I HN 0.536 nan 8.210 nan 0.000 0.540 393 L N 6.725 127.821 121.223 -0.212 0.000 2.410 393 L HA 0.455 4.791 4.340 -0.006 0.000 0.270 393 L C -1.200 175.633 176.870 -0.062 0.000 0.983 393 L CA -0.906 53.838 54.840 -0.160 0.000 0.822 393 L CB 1.900 43.911 42.059 -0.079 0.000 1.285 393 L HN 0.533 nan 8.230 nan 0.000 0.409 394 D N 4.019 124.407 120.400 -0.021 0.000 2.229 394 D HA 0.260 4.897 4.640 -0.006 0.000 0.249 394 D C -1.633 174.811 176.300 0.240 0.000 1.027 394 D CA -1.391 52.654 54.000 0.075 0.000 0.923 394 D CB 1.997 42.837 40.800 0.067 0.000 1.174 394 D HN 0.263 nan 8.370 nan 0.000 0.443 395 P HA -0.040 nan 4.420 nan 0.000 0.217 395 P C 0.174 177.695 177.300 0.368 0.000 1.151 395 P CA 0.615 63.954 63.100 0.398 0.000 0.828 395 P CB 0.310 32.349 31.700 0.565 0.000 0.788 396 A N 0.899 123.805 122.820 0.145 0.000 2.401 396 A HA 0.409 4.725 4.320 -0.006 0.000 0.259 396 A C 0.198 177.775 177.584 -0.012 0.000 1.103 396 A CA -0.069 51.884 52.037 -0.141 0.000 0.789 396 A CB -0.306 18.408 19.000 -0.476 0.000 1.035 396 A HN -0.023 nan 8.150 nan 0.000 0.491 397 I N 2.135 122.683 120.570 -0.037 0.000 2.378 397 I HA 0.216 4.383 4.170 -0.006 0.000 0.291 397 I C 0.930 177.024 176.117 -0.038 0.000 0.992 397 I CA -0.170 61.226 61.300 0.159 0.000 1.154 397 I CB 1.119 39.353 38.000 0.389 0.000 1.315 397 I HN 0.674 nan 8.210 nan 0.000 0.448 398 S N 5.843 121.593 115.700 0.084 0.000 2.552 398 S HA 0.100 4.566 4.470 -0.006 0.000 0.289 398 S C 1.293 175.716 174.600 -0.295 0.000 1.304 398 S CA -0.292 57.842 58.200 -0.110 0.000 1.063 398 S CB 0.179 63.273 63.200 -0.177 0.000 0.848 398 S HN 0.534 nan 8.310 nan 0.000 0.499 399 I N 2.770 123.029 120.570 -0.518 0.000 3.812 399 I HA 0.425 4.592 4.170 -0.006 0.000 0.320 399 I C 0.929 176.744 176.117 -0.505 0.000 1.276 399 I CA -0.510 60.254 61.300 -0.893 0.000 1.164 399 I CB -0.633 36.994 38.000 -0.623 0.000 1.009 399 I HN 0.513 nan 8.210 nan 0.000 0.431 400 G N 1.176 109.806 108.800 -0.282 0.000 2.535 400 G HA2 0.502 4.458 3.960 -0.006 0.000 0.303 400 G HA3 0.502 4.458 3.960 -0.006 0.000 0.303 400 G C -0.227 174.629 174.900 -0.072 0.000 1.237 400 G CA -0.812 44.194 45.100 -0.157 0.000 0.986 400 G HN 0.062 nan 8.290 nan 0.000 0.494 401 R N -0.250 120.227 120.500 -0.039 0.000 2.543 401 R HA 0.374 4.711 4.340 -0.006 0.000 0.268 401 R C 0.440 176.718 176.300 -0.037 0.000 1.067 401 R CA -0.666 55.442 56.100 0.013 0.000 1.142 401 R CB 0.536 30.849 30.300 0.022 0.000 1.110 401 R HN 0.477 nan 8.270 nan 0.000 0.549 402 R N 0.104 120.605 120.500 0.002 0.000 2.649 402 R HA 0.199 4.536 4.340 -0.006 0.000 0.270 402 R C 1.294 177.579 176.300 -0.025 0.000 1.105 402 R CA 0.146 56.226 56.100 -0.033 0.000 1.193 402 R CB 0.145 30.460 30.300 0.024 0.000 1.120 402 R HN 0.750 nan 8.270 nan 0.000 0.561 403 A N 1.272 124.072 122.820 -0.033 0.000 1.940 403 A HA -0.181 4.135 4.320 -0.006 0.000 0.219 403 A C 1.606 179.186 177.584 -0.007 0.000 1.176 403 A CA 1.508 53.531 52.037 -0.023 0.000 0.631 403 A CB -0.492 18.493 19.000 -0.024 0.000 0.814 403 A HN 0.751 nan 8.150 nan 0.000 0.446 404 N N -1.026 117.674 118.700 0.001 0.000 2.571 404 N HA 0.060 4.797 4.740 -0.006 0.000 0.189 404 N C 1.052 176.570 175.510 0.015 0.000 1.154 404 N CA 0.666 53.722 53.050 0.009 0.000 0.907 404 N CB 0.028 38.524 38.487 0.014 0.000 0.977 404 N HN 0.657 nan 8.380 nan 0.000 0.449 405 G N 0.656 109.465 108.800 0.014 0.000 2.157 405 G HA2 -0.249 3.707 3.960 -0.006 0.000 0.239 405 G HA3 -0.249 3.707 3.960 -0.006 0.000 0.239 405 G C 0.286 175.208 174.900 0.035 0.000 0.982 405 G CA 0.575 45.687 45.100 0.020 0.000 0.650 405 G HN 0.384 nan 8.290 nan 0.000 0.527 406 T N 1.043 115.624 114.554 0.045 0.000 2.874 406 T HA 0.579 4.926 4.350 -0.006 0.000 0.281 406 T C 1.347 176.104 174.700 0.096 0.000 0.994 406 T CA 0.927 63.066 62.100 0.065 0.000 1.015 406 T CB 0.476 69.383 68.868 0.065 0.000 1.028 406 T HN 1.020 nan 8.240 nan 0.000 0.523 407 T N 2.013 116.637 114.554 0.116 0.000 2.926 407 T HA 0.163 4.510 4.350 -0.006 0.000 0.307 407 T C -0.336 174.511 174.700 0.245 0.000 1.059 407 T CA -0.513 61.688 62.100 0.168 0.000 1.122 407 T CB 0.072 69.029 68.868 0.148 0.000 0.972 407 T HN 0.523 nan 8.240 nan 0.000 0.545 408 Y N 2.714 123.093 120.300 0.132 0.000 2.556 408 Y HA 0.500 5.047 4.550 -0.006 0.000 0.352 408 Y C 1.128 177.157 175.900 0.215 0.000 1.006 408 Y CA -1.889 56.304 58.100 0.154 0.000 1.277 408 Y CB -0.334 38.208 38.460 0.136 0.000 1.136 408 Y HN 0.885 nan 8.280 nan 0.000 0.523 409 A N 3.827 126.732 122.820 0.142 0.000 1.972 409 A HA -0.156 4.160 4.320 -0.006 0.000 0.219 409 A C 2.179 179.736 177.584 -0.044 0.000 1.169 409 A CA 2.167 54.232 52.037 0.048 0.000 0.635 409 A CB -0.764 18.278 19.000 0.070 0.000 0.810 409 A HN 0.758 nan 8.150 nan 0.000 0.446 410 T N -1.546 112.860 114.554 -0.246 0.000 2.684 410 T HA -0.201 4.146 4.350 -0.006 0.000 0.267 410 T C 1.789 176.562 174.700 0.122 0.000 1.036 410 T CA 1.846 63.860 62.100 -0.143 0.000 1.148 410 T CB -0.408 68.282 68.868 -0.296 0.000 0.863 410 T HN 0.635 nan 8.240 nan 0.000 0.436 411 Y N 1.814 121.946 120.300 -0.280 0.000 2.200 411 Y HA -0.062 4.485 4.550 -0.005 0.000 0.290 411 Y C 2.313 178.314 175.900 0.168 0.000 1.137 411 Y CA 1.262 59.422 58.100 0.101 0.000 1.163 411 Y CB -0.289 38.202 38.460 0.051 0.000 0.988 411 Y HN 0.278 nan 8.280 nan 0.000 0.518 412 E N 0.030 120.237 120.200 0.012 0.000 2.038 412 E HA -0.264 4.082 4.350 -0.006 0.000 0.195 412 E C 2.283 178.816 176.600 -0.113 0.000 1.000 412 E CA 1.634 57.984 56.400 -0.082 0.000 0.803 412 E CB -0.220 29.485 29.700 0.009 0.000 0.750 412 E HN 0.496 nan 8.360 nan 0.000 0.448 413 R N -0.013 120.475 120.500 -0.020 0.000 2.096 413 R HA -0.090 4.247 4.340 -0.006 0.000 0.235 413 R C 2.505 178.701 176.300 -0.174 0.000 1.127 413 R CA 1.066 57.161 56.100 -0.009 0.000 0.968 413 R CB -0.426 29.950 30.300 0.127 0.000 0.861 413 R HN 0.208 nan 8.270 nan 0.000 0.440 414 G N 1.206 109.830 108.800 -0.293 0.000 2.402 414 G HA2 -0.253 3.703 3.960 -0.006 0.000 0.216 414 G HA3 -0.253 3.703 3.960 -0.006 0.000 0.216 414 G C 1.198 175.504 174.900 -0.989 0.000 1.162 414 G CA 0.510 44.889 45.100 -1.203 0.000 0.777 414 G HN 0.220 nan 8.290 nan 0.000 0.539 415 N N 0.632 119.083 118.700 -0.414 0.000 2.058 415 N HA -0.098 4.639 4.740 -0.006 0.000 0.191 415 N C 2.401 177.605 175.510 -0.510 0.000 1.037 415 N CA 1.733 54.601 53.050 -0.305 0.000 0.848 415 N CB -0.882 37.432 38.487 -0.287 0.000 1.021 415 N HN 0.204 nan 8.380 nan 0.000 0.422 416 T N 1.627 115.917 114.554 -0.439 0.000 2.759 416 T HA -0.095 4.252 4.350 -0.006 0.000 0.269 416 T C 1.461 175.769 174.700 -0.654 0.000 1.042 416 T CA 1.059 62.886 62.100 -0.456 0.000 1.140 416 T CB -0.045 68.674 68.868 -0.248 0.000 0.864 416 T HN 0.264 nan 8.240 nan 0.000 0.455 417 Q N 0.115 119.551 119.800 -0.605 0.000 2.360 417 Q HA 0.105 4.442 4.340 -0.006 0.000 0.202 417 Q C -0.257 175.435 176.000 -0.513 0.000 0.915 417 Q CA 0.137 55.646 55.803 -0.490 0.000 0.943 417 Q CB -0.176 28.345 28.738 -0.362 0.000 1.064 417 Q HN 0.753 nan 8.270 nan 0.000 0.511 418 H N -1.067 117.731 119.070 -0.454 0.000 2.677 418 H HA -0.114 4.439 4.556 -0.006 0.000 0.321 418 H C 0.920 175.912 175.328 -0.560 0.000 1.171 418 H CA 0.370 56.161 56.048 -0.428 0.000 1.139 418 H CB -1.919 27.705 29.762 -0.230 0.000 1.515 418 H HN 0.189 nan 8.280 nan 0.000 0.423 419 V N -3.786 115.553 119.914 -0.957 0.000 3.649 419 V HA 0.093 4.210 4.120 -0.006 0.000 0.275 419 V C 0.937 176.570 176.094 -0.768 0.000 1.281 419 V CA 0.047 61.762 62.300 -0.974 0.000 1.143 419 V CB -0.272 30.672 31.823 -1.465 0.000 0.892 419 V HN 0.414 nan 8.190 nan 0.000 0.441 420 W N -0.234 120.899 121.300 -0.280 0.000 2.283 420 W HA 0.656 5.313 4.660 -0.005 0.000 0.341 420 W C 0.278 176.730 176.519 -0.112 0.000 1.206 420 W CA -1.267 55.960 57.345 -0.197 0.000 1.294 420 W CB 0.593 29.974 29.460 -0.133 0.000 1.154 420 W HN -0.053 nan 8.180 nan 0.000 0.613 421 I N 3.161 123.866 120.570 0.225 0.000 2.588 421 I HA -0.022 4.144 4.170 -0.006 0.000 0.283 421 I C 0.165 176.359 176.117 0.128 0.000 1.119 421 I CA -0.038 61.342 61.300 0.133 0.000 1.419 421 I CB 0.043 38.125 38.000 0.136 0.000 1.394 421 I HN 0.379 nan 8.210 nan 0.000 0.562 422 N N 5.499 124.244 118.700 0.075 0.000 2.472 422 N HA 0.295 5.032 4.740 -0.006 0.000 0.289 422 N C -0.342 175.187 175.510 0.032 0.000 1.156 422 N CA -0.663 52.422 53.050 0.058 0.000 0.940 422 N CB 1.028 39.539 38.487 0.040 0.000 1.200 422 N HN 0.483 nan 8.380 nan 0.000 0.511 423 E N -0.331 119.881 120.200 0.021 0.000 2.455 423 E HA -0.034 4.312 4.350 -0.006 0.000 0.259 423 E C 0.856 177.456 176.600 0.001 0.000 1.245 423 E CA 0.096 56.497 56.400 0.002 0.000 1.013 423 E CB 0.420 30.119 29.700 -0.002 0.000 0.978 423 E HN 0.637 nan 8.360 nan 0.000 0.479 424 S N 0.909 116.604 115.700 -0.008 0.000 2.419 424 S HA -0.209 4.258 4.470 -0.006 0.000 0.235 424 S C 1.334 175.932 174.600 -0.003 0.000 1.019 424 S CA 1.471 59.667 58.200 -0.006 0.000 0.982 424 S CB -0.359 62.834 63.200 -0.012 0.000 0.789 424 S HN 0.675 nan 8.310 nan 0.000 0.490 425 D N 1.810 122.208 120.400 -0.003 0.000 2.311 425 D HA 0.035 4.671 4.640 -0.006 0.000 0.212 425 D C 1.547 177.846 176.300 -0.003 0.000 0.972 425 D CA 0.989 54.987 54.000 -0.003 0.000 0.887 425 D CB -1.278 39.520 40.800 -0.003 0.000 0.915 425 D HN 0.678 nan 8.370 nan 0.000 0.497 426 G N -0.552 108.249 108.800 0.001 0.000 2.148 426 G HA2 -0.305 3.652 3.960 -0.006 0.000 0.254 426 G HA3 -0.305 3.652 3.960 -0.006 0.000 0.254 426 G C 0.838 175.734 174.900 -0.007 0.000 0.981 426 G CA 1.132 46.232 45.100 -0.001 0.000 0.670 426 G HN 0.964 nan 8.290 nan 0.000 0.528 427 S N -2.733 112.966 115.700 -0.002 0.000 2.617 427 S HA 0.323 4.790 4.470 -0.006 0.000 0.278 427 S C 0.384 174.995 174.600 0.018 0.000 1.082 427 S CA 0.985 59.181 58.200 -0.006 0.000 1.228 427 S CB 0.783 63.971 63.200 -0.021 0.000 1.130 427 S HN 0.651 nan 8.310 nan 0.000 0.621 428 T N 5.114 119.682 114.554 0.024 0.000 2.749 428 T HA 0.550 4.896 4.350 -0.006 0.000 0.287 428 T C -3.046 171.682 174.700 0.048 0.000 0.970 428 T CA -1.460 60.661 62.100 0.034 0.000 0.980 428 T CB 1.313 70.192 68.868 0.018 0.000 0.924 428 T HN 0.064 nan 8.240 nan 0.000 0.456 429 P HA 0.155 nan 4.420 nan 0.000 0.264 429 P C -0.058 177.255 177.300 0.021 0.000 1.193 429 P CA -0.389 62.754 63.100 0.071 0.000 0.763 429 P CB 0.394 32.109 31.700 0.025 0.000 0.810 430 I N 4.229 124.825 120.570 0.042 0.000 2.496 430 I HA 0.130 4.296 4.170 -0.006 0.000 0.285 430 I C -0.185 175.957 176.117 0.043 0.000 1.080 430 I CA -0.117 61.205 61.300 0.035 0.000 1.404 430 I CB 0.215 38.236 38.000 0.036 0.000 1.403 430 I HN 0.128 nan 8.210 nan 0.000 0.539 431 I N 7.724 128.301 120.570 0.011 0.000 2.336 431 I HA 0.451 4.618 4.170 -0.006 0.000 0.292 431 I C 0.648 176.792 176.117 0.045 0.000 0.991 431 I CA -0.124 61.165 61.300 -0.019 0.000 1.227 431 I CB 0.444 38.407 38.000 -0.062 0.000 1.366 431 I HN 0.670 nan 8.210 nan 0.000 0.466 432 G N 4.930 113.786 108.800 0.094 0.000 3.217 432 G HA2 0.605 4.562 3.960 -0.006 0.000 0.213 432 G HA3 0.605 4.562 3.960 -0.006 0.000 0.213 432 G C -1.167 173.713 174.900 -0.033 0.000 1.294 432 G CA -0.312 44.865 45.100 0.129 0.000 0.987 432 G HN 0.595 nan 8.290 nan 0.000 0.584 433 E N -1.220 118.942 120.200 -0.063 0.000 2.304 433 E HA 0.539 4.885 4.350 -0.006 0.000 0.277 433 E C -1.049 175.269 176.600 -0.470 0.000 0.898 433 E CA -0.676 55.621 56.400 -0.170 0.000 0.764 433 E CB 2.148 31.828 29.700 -0.032 0.000 1.216 433 E HN 0.344 nan 8.360 nan 0.000 0.419 434 V N 2.390 121.954 119.914 -0.584 0.000 4.306 434 V HA 0.338 4.455 4.120 -0.006 0.000 0.303 434 V C 0.716 176.484 176.094 -0.542 0.000 1.454 434 V CA -0.886 60.722 62.300 -1.154 0.000 0.910 434 V CB -0.165 31.120 31.823 -0.897 0.000 1.241 434 V HN 0.923 nan 8.190 nan 0.000 0.466 435 W N 1.063 122.261 121.300 -0.170 0.000 2.335 435 W HA -0.034 4.623 4.660 -0.005 0.000 0.311 435 W C -0.387 176.138 176.519 0.010 0.000 1.213 435 W CA 1.877 59.260 57.345 0.064 0.000 1.274 435 W CB -1.413 28.062 29.460 0.025 0.000 1.148 435 W HN 0.490 nan 8.180 nan 0.000 0.498 436 P HA 0.180 nan 4.420 nan 0.000 0.242 436 P C 0.722 178.010 177.300 -0.020 0.000 1.197 436 P CA 1.874 64.983 63.100 0.016 0.000 0.765 436 P CB 0.322 31.975 31.700 -0.079 0.000 0.936 437 G N 0.049 108.842 108.800 -0.012 0.000 2.384 437 G HA2 -0.151 3.806 3.960 -0.006 0.000 0.200 437 G HA3 -0.151 3.806 3.960 -0.006 0.000 0.200 437 G C -1.120 173.717 174.900 -0.104 0.000 1.205 437 G CA -0.748 44.332 45.100 -0.034 0.000 1.116 437 G HN 0.160 nan 8.290 nan 0.000 0.547 438 L N 1.957 123.111 121.223 -0.115 0.000 2.453 438 L HA 0.509 4.846 4.340 -0.006 0.000 0.272 438 L C 1.027 177.754 176.870 -0.240 0.000 1.182 438 L CA 0.707 55.454 54.840 -0.155 0.000 0.858 438 L CB 0.612 42.594 42.059 -0.129 0.000 1.120 438 L HN 1.002 nan 8.230 nan 0.000 0.474 439 T N -0.102 114.269 114.554 -0.306 0.000 2.916 439 T HA 0.651 4.998 4.350 -0.006 0.000 0.305 439 T C -0.356 174.009 174.700 -0.558 0.000 1.119 439 T CA -0.906 60.925 62.100 -0.447 0.000 1.008 439 T CB 1.790 70.325 68.868 -0.554 0.000 1.129 439 T HN 0.333 nan 8.240 nan 0.000 0.480 440 V N -0.406 119.119 119.914 -0.649 0.000 3.096 440 V HA 0.772 4.889 4.120 -0.006 0.000 0.319 440 V C -1.310 174.382 176.094 -0.670 0.000 1.082 440 V CA -1.276 60.619 62.300 -0.675 0.000 1.022 440 V CB 0.678 31.849 31.823 -1.087 0.000 1.103 440 V HN 0.924 nan 8.190 nan 0.000 0.455 441 Y N 0.736 120.984 120.300 -0.086 0.000 2.331 441 Y HA 0.592 5.139 4.550 -0.006 0.000 0.334 441 Y C -2.526 173.533 175.900 0.265 0.000 0.960 441 Y CA -2.424 55.733 58.100 0.095 0.000 1.130 441 Y CB 2.241 40.706 38.460 0.010 0.000 1.164 441 Y HN 0.477 nan 8.280 nan 0.000 0.458 442 P HA -0.025 nan 4.420 nan 0.000 0.268 442 P C -0.532 176.585 177.300 -0.306 0.000 1.205 442 P CA -0.065 62.933 63.100 -0.170 0.000 0.771 442 P CB 0.710 31.992 31.700 -0.698 0.000 0.858 443 D N 2.478 122.669 120.400 -0.348 0.000 2.468 443 D HA 0.110 4.747 4.640 -0.006 0.000 0.218 443 D C 0.216 176.210 176.300 -0.509 0.000 1.155 443 D CA -0.279 53.529 54.000 -0.320 0.000 0.924 443 D CB -0.547 40.133 40.800 -0.200 0.000 1.029 443 D HN 0.128 nan 8.370 nan 0.000 0.515 444 F N 0.990 120.670 119.950 -0.449 0.000 2.641 444 F HA -0.066 4.457 4.527 -0.006 0.000 0.298 444 F C 2.610 178.040 175.800 -0.617 0.000 1.146 444 F CA 1.057 58.742 58.000 -0.525 0.000 1.464 444 F CB -0.411 38.177 39.000 -0.687 0.000 1.101 444 F HN 0.396 nan 8.300 nan 0.000 0.585 445 T N -3.285 110.884 114.554 -0.642 0.000 3.081 445 T HA -0.020 4.327 4.350 -0.006 0.000 0.255 445 T C 0.873 175.234 174.700 -0.565 0.000 1.113 445 T CA -0.040 61.413 62.100 -1.078 0.000 1.082 445 T CB -0.394 67.388 68.868 -1.810 0.000 0.939 445 T HN 0.015 nan 8.240 nan 0.000 0.506 446 N N 2.910 121.400 118.700 -0.349 0.000 2.408 446 N HA 0.229 4.965 4.740 -0.006 0.000 0.257 446 N C -1.624 173.806 175.510 -0.133 0.000 1.064 446 N CA -2.456 50.476 53.050 -0.197 0.000 0.952 446 N CB 1.778 40.147 38.487 -0.198 0.000 1.093 446 N HN 0.004 nan 8.380 nan 0.000 0.490 447 P HA -0.184 nan 4.420 nan 0.000 0.217 447 P C 0.379 177.667 177.300 -0.019 0.000 1.151 447 P CA 1.601 64.685 63.100 -0.026 0.000 0.849 447 P CB 0.316 32.014 31.700 -0.003 0.000 0.787 448 N N -1.203 117.470 118.700 -0.046 0.000 2.244 448 N HA -0.111 4.625 4.740 -0.006 0.000 0.183 448 N C 2.050 177.538 175.510 -0.035 0.000 1.016 448 N CA 0.697 53.719 53.050 -0.046 0.000 0.866 448 N CB -0.556 37.881 38.487 -0.082 0.000 0.980 448 N HN 0.194 nan 8.380 nan 0.000 0.430 449 C N 0.738 119.984 119.300 -0.091 0.000 2.446 449 C HA 0.062 4.519 4.460 -0.006 0.000 0.277 449 C C 2.427 177.533 174.990 0.194 0.000 1.275 449 C CA 0.267 59.250 59.018 -0.059 0.000 1.727 449 C CB -1.047 26.519 27.740 -0.289 0.000 2.010 449 C HN 0.372 nan 8.230 nan 0.000 0.486 450 I N 1.253 121.894 120.570 0.118 0.000 2.208 450 I HA -0.197 3.970 4.170 -0.006 0.000 0.245 450 I C 2.173 178.419 176.117 0.216 0.000 1.097 450 I CA 1.977 63.396 61.300 0.197 0.000 1.363 450 I CB -0.576 37.479 38.000 0.091 0.000 1.051 450 I HN 0.358 nan 8.210 nan 0.000 0.413 451 D N -0.159 120.325 120.400 0.141 0.000 2.117 451 D HA -0.222 4.415 4.640 -0.006 0.000 0.198 451 D C 1.658 178.029 176.300 0.118 0.000 0.982 451 D CA 1.032 55.091 54.000 0.099 0.000 0.828 451 D CB -0.410 40.423 40.800 0.056 0.000 0.967 451 D HN 0.503 nan 8.370 nan 0.000 0.464 452 W N 1.103 122.384 121.300 -0.031 0.000 2.335 452 W HA -0.196 4.461 4.660 -0.006 0.000 0.311 452 W C 2.318 178.849 176.519 0.019 0.000 1.213 452 W CA 1.407 58.715 57.345 -0.062 0.000 1.274 452 W CB -0.690 28.680 29.460 -0.150 0.000 1.148 452 W HN 0.084 nan 8.180 nan 0.000 0.498 453 W N 1.176 122.322 121.300 -0.257 0.000 2.355 453 W HA -0.209 4.448 4.660 -0.005 0.000 0.309 453 W C 2.213 178.540 176.519 -0.320 0.000 1.206 453 W CA 2.424 59.496 57.345 -0.454 0.000 1.284 453 W CB -0.813 28.722 29.460 0.125 0.000 1.145 453 W HN 0.041 nan 8.180 nan 0.000 0.502 454 A N 0.706 123.507 122.820 -0.031 0.000 1.940 454 A HA -0.324 3.993 4.320 -0.006 0.000 0.219 454 A C 1.665 179.106 177.584 -0.239 0.000 1.176 454 A CA 2.264 54.232 52.037 -0.115 0.000 0.631 454 A CB -1.267 17.730 19.000 -0.005 0.000 0.814 454 A HN 0.491 nan 8.150 nan 0.000 0.446 455 N N -0.527 118.015 118.700 -0.263 0.000 2.216 455 N HA -0.110 4.626 4.740 -0.006 0.000 0.183 455 N C 1.614 176.857 175.510 -0.444 0.000 1.017 455 N CA 1.322 54.205 53.050 -0.278 0.000 0.861 455 N CB -0.141 38.230 38.487 -0.193 0.000 0.986 455 N HN 0.382 nan 8.380 nan 0.000 0.428 456 E N -0.078 119.654 120.200 -0.780 0.000 2.110 456 E HA -0.118 4.229 4.350 -0.006 0.000 0.193 456 E C 2.081 178.046 176.600 -1.057 0.000 0.988 456 E CA 0.725 56.405 56.400 -1.200 0.000 0.804 456 E CB -0.646 27.822 29.700 -2.053 0.000 0.745 456 E HN 0.453 nan 8.360 nan 0.000 0.458 457 C N 0.425 119.268 119.300 -0.761 0.000 2.440 457 C HA -0.045 4.412 4.460 -0.006 0.000 0.278 457 C C 3.109 178.107 174.990 0.015 0.000 1.295 457 C CA 1.079 59.972 59.018 -0.208 0.000 1.738 457 C CB -0.815 26.809 27.740 -0.194 0.000 1.987 457 C HN 0.456 nan 8.230 nan 0.000 0.492 458 S N 0.614 116.228 115.700 -0.143 0.000 2.355 458 S HA -0.087 4.380 4.470 -0.006 0.000 0.222 458 S C 1.736 176.319 174.600 -0.028 0.000 1.031 458 S CA 1.416 59.552 58.200 -0.106 0.000 0.993 458 S CB -0.364 62.748 63.200 -0.146 0.000 0.859 458 S HN 0.569 nan 8.310 nan 0.000 0.453 459 I N 0.345 120.875 120.570 -0.066 0.000 2.151 459 I HA -0.171 3.995 4.170 -0.006 0.000 0.243 459 I C 2.199 178.404 176.117 0.146 0.000 1.080 459 I CA 1.651 62.950 61.300 -0.000 0.000 1.339 459 I CB -0.407 37.556 38.000 -0.063 0.000 1.039 459 I HN 0.344 nan 8.210 nan 0.000 0.409 460 F N 0.584 120.563 119.950 0.049 0.000 2.234 460 F HA -0.217 4.307 4.527 -0.005 0.000 0.299 460 F C 2.620 178.598 175.800 0.297 0.000 1.087 460 F CA 1.588 59.728 58.000 0.234 0.000 1.340 460 F CB -0.657 38.588 39.000 0.408 0.000 1.031 460 F HN 0.152 nan 8.300 nan 0.000 0.500 461 H N -0.332 118.816 119.070 0.130 0.000 2.457 461 H HA -0.103 4.449 4.556 -0.006 0.000 0.294 461 H C 1.670 176.877 175.328 -0.202 0.000 1.064 461 H CA 1.239 57.183 56.048 -0.174 0.000 1.330 461 H CB 0.335 29.823 29.762 -0.457 0.000 1.395 461 H HN 0.248 nan 8.280 nan 0.000 0.541 462 Q N 0.419 120.150 119.800 -0.115 0.000 2.224 462 Q HA -0.095 4.241 4.340 -0.006 0.000 0.203 462 Q C 1.941 177.849 176.000 -0.153 0.000 0.970 462 Q CA 0.810 56.534 55.803 -0.132 0.000 0.865 462 Q CB 0.050 28.761 28.738 -0.044 0.000 0.922 462 Q HN 0.639 nan 8.270 nan 0.000 0.445 463 E N -0.146 119.959 120.200 -0.157 0.000 2.075 463 E HA 0.057 4.403 4.350 -0.006 0.000 0.190 463 E C 0.205 176.619 176.600 -0.310 0.000 0.969 463 E CA 0.370 56.685 56.400 -0.142 0.000 0.815 463 E CB 0.584 30.293 29.700 0.015 0.000 0.776 463 E HN 0.005 nan 8.360 nan 0.000 0.457 464 V N 3.244 122.858 119.914 -0.500 0.000 2.380 464 V HA 0.128 4.245 4.120 -0.006 0.000 0.286 464 V C -0.044 175.863 176.094 -0.311 0.000 1.015 464 V CA -0.503 61.536 62.300 -0.434 0.000 0.834 464 V CB 1.638 33.126 31.823 -0.559 0.000 1.009 464 V HN 0.055 nan 8.190 nan 0.000 0.428 465 Q N 4.424 124.021 119.800 -0.338 0.000 3.223 465 Q HA 0.134 4.471 4.340 -0.006 0.000 0.299 465 Q C -0.119 175.905 176.000 0.040 0.000 1.385 465 Q CA -0.131 55.382 55.803 -0.483 0.000 0.942 465 Q CB -0.294 28.265 28.738 -0.298 0.000 1.748 465 Q HN 0.840 nan 8.270 nan 0.000 0.523 466 Y N -1.778 118.694 120.300 0.286 0.000 2.511 466 Y HA 0.047 4.594 4.550 -0.005 0.000 0.347 466 Y C 0.646 176.870 175.900 0.539 0.000 1.257 466 Y CA -0.185 58.151 58.100 0.393 0.000 1.469 466 Y CB 0.631 39.219 38.460 0.213 0.000 1.353 466 Y HN 0.055 nan 8.280 nan 0.000 0.617 467 D N 0.596 121.266 120.400 0.451 0.000 2.423 467 D HA 0.245 4.882 4.640 -0.006 0.000 0.212 467 D C 0.541 176.934 176.300 0.155 0.000 1.060 467 D CA 0.842 54.913 54.000 0.118 0.000 0.872 467 D CB 0.973 41.617 40.800 -0.259 0.000 1.012 467 D HN 0.822 nan 8.370 nan 0.000 0.503 468 G N 0.155 109.259 108.800 0.506 0.000 2.649 468 G HA2 0.612 4.569 3.960 -0.006 0.000 0.290 468 G HA3 0.612 4.569 3.960 -0.006 0.000 0.290 468 G C -1.852 173.323 174.900 0.458 0.000 1.426 468 G CA -0.597 44.837 45.100 0.558 0.000 0.794 468 G HN -0.014 nan 8.290 nan 0.000 0.483 469 L N -0.111 121.306 121.223 0.324 0.000 2.408 469 L HA 0.547 4.884 4.340 -0.006 0.000 0.268 469 L C -1.464 175.488 176.870 0.138 0.000 0.986 469 L CA -0.790 54.147 54.840 0.162 0.000 0.820 469 L CB 2.772 44.908 42.059 0.128 0.000 1.303 469 L HN 0.650 nan 8.230 nan 0.000 0.411 470 W N 6.579 127.832 121.300 -0.079 0.000 2.361 470 W HA 0.593 5.250 4.660 -0.006 0.000 0.314 470 W C -0.924 175.545 176.519 -0.083 0.000 1.041 470 W CA -1.736 55.519 57.345 -0.149 0.000 1.241 470 W CB 0.882 30.237 29.460 -0.176 0.000 1.279 470 W HN 0.313 nan 8.180 nan 0.000 0.436 471 I N 4.167 124.829 120.570 0.152 0.000 2.330 471 I HA 0.512 4.678 4.170 -0.006 0.000 0.289 471 I C -0.558 175.602 176.117 0.072 0.000 1.001 471 I CA -0.373 60.953 61.300 0.044 0.000 1.193 471 I CB 1.410 39.441 38.000 0.052 0.000 1.345 471 I HN 0.250 nan 8.210 nan 0.000 0.461 472 D N 5.697 126.059 120.400 -0.064 0.000 2.497 472 D HA 0.505 5.142 4.640 -0.006 0.000 0.243 472 D C 0.506 176.838 176.300 0.053 0.000 1.039 472 D CA -0.308 53.699 54.000 0.011 0.000 1.052 472 D CB 1.376 42.006 40.800 -0.284 0.000 1.344 472 D HN 0.645 nan 8.370 nan 0.000 0.553 473 M N 0.460 120.114 119.600 0.090 0.000 2.503 473 M HA -0.236 4.241 4.480 -0.006 0.000 0.199 473 M C -0.238 176.095 176.300 0.054 0.000 0.466 473 M CA 0.527 55.871 55.300 0.074 0.000 0.510 473 M CB -2.862 29.761 32.600 0.038 0.000 1.858 473 M HN 0.510 nan 8.290 nan 0.000 0.799 474 N N -0.441 118.312 118.700 0.088 0.000 2.451 474 N HA 0.291 5.027 4.740 -0.006 0.000 0.264 474 N C 0.605 176.169 175.510 0.091 0.000 1.167 474 N CA -0.168 52.964 53.050 0.137 0.000 0.898 474 N CB 0.272 38.878 38.487 0.198 0.000 1.176 474 N HN 0.262 nan 8.380 nan 0.000 0.507 475 E N -0.246 119.941 120.200 -0.021 0.000 2.106 475 E HA 0.001 4.347 4.350 -0.006 0.000 0.192 475 E C 0.311 176.650 176.600 -0.434 0.000 0.984 475 E CA 0.488 56.822 56.400 -0.111 0.000 0.806 475 E CB 0.205 29.899 29.700 -0.010 0.000 0.750 475 E HN 0.277 nan 8.360 nan 0.000 0.458 476 V N -0.003 119.593 119.914 -0.530 0.000 2.644 476 V HA 0.301 4.417 4.120 -0.006 0.000 0.295 476 V C -0.116 175.809 176.094 -0.283 0.000 1.053 476 V CA -0.471 61.527 62.300 -0.503 0.000 0.987 476 V CB 1.828 32.986 31.823 -1.108 0.000 1.006 476 V HN 0.114 nan 8.190 nan 0.000 0.472 477 S N 4.048 119.647 115.700 -0.168 0.000 2.554 477 S HA 0.650 5.117 4.470 -0.006 0.000 0.278 477 S C -0.421 174.092 174.600 -0.146 0.000 1.242 477 S CA -0.114 58.029 58.200 -0.096 0.000 1.051 477 S CB 1.188 64.368 63.200 -0.032 0.000 0.986 477 S HN 1.074 nan 8.310 nan 0.000 0.502 478 S N 2.993 118.633 115.700 -0.099 0.000 2.536 478 S HA 0.598 5.065 4.470 -0.006 0.000 0.271 478 S C -0.434 174.201 174.600 0.059 0.000 1.134 478 S CA -0.618 57.518 58.200 -0.108 0.000 0.897 478 S CB 0.468 63.653 63.200 -0.025 0.000 1.094 478 S HN 0.600 nan 8.310 nan 0.000 0.473 479 F N 2.941 122.847 119.950 -0.074 0.000 2.743 479 F HA 0.356 4.880 4.527 -0.005 0.000 0.297 479 F C 0.926 176.713 175.800 -0.022 0.000 1.131 479 F CA -0.491 57.466 58.000 -0.073 0.000 1.426 479 F CB -0.440 38.485 39.000 -0.124 0.000 1.116 479 F HN 0.528 nan 8.300 nan 0.000 0.583 480 I N -1.613 119.050 120.570 0.156 0.000 2.562 480 I HA 0.424 4.591 4.170 -0.006 0.000 0.301 480 I C -0.195 175.992 176.117 0.116 0.000 1.003 480 I CA -1.111 60.258 61.300 0.115 0.000 1.127 480 I CB 1.265 39.313 38.000 0.080 0.000 1.304 480 I HN -0.276 nan 8.210 nan 0.000 0.446 481 Q N 4.231 124.118 119.800 0.144 0.000 2.307 481 Q HA 0.263 4.599 4.340 -0.006 0.000 0.261 481 Q C 0.990 177.146 176.000 0.259 0.000 1.051 481 Q CA 0.839 56.786 55.803 0.240 0.000 0.911 481 Q CB 1.132 30.035 28.738 0.274 0.000 1.227 481 Q HN 1.150 nan 8.270 nan 0.000 0.418 482 G N 3.141 112.083 108.800 0.236 0.000 4.148 482 G HA2 -0.363 3.594 3.960 -0.006 0.000 0.221 482 G HA3 -0.363 3.594 3.960 -0.006 0.000 0.221 482 G C 0.214 175.070 174.900 -0.073 0.000 1.373 482 G CA 0.651 45.728 45.100 -0.038 0.000 0.940 482 G HN 1.230 nan 8.290 nan 0.000 0.610 483 S N -3.415 112.258 115.700 -0.046 0.000 2.645 483 S HA 0.551 5.018 4.470 -0.006 0.000 0.268 483 S C 0.518 175.115 174.600 -0.006 0.000 1.110 483 S CA 0.905 59.092 58.200 -0.022 0.000 0.823 483 S CB 0.696 63.868 63.200 -0.047 0.000 1.091 483 S HN 0.990 nan 8.310 nan 0.000 0.466 484 T N 1.249 115.802 114.554 -0.002 0.000 2.714 484 T HA -0.110 4.236 4.350 -0.006 0.000 0.268 484 T C 1.120 175.818 174.700 -0.003 0.000 1.036 484 T CA 2.086 64.184 62.100 -0.002 0.000 1.148 484 T CB -0.539 68.321 68.868 -0.013 0.000 0.856 484 T HN 0.600 nan 8.240 nan 0.000 0.462 485 K N 0.173 120.564 120.400 -0.015 0.000 2.410 485 K HA 0.378 4.695 4.320 -0.006 0.000 0.200 485 K C 1.183 177.770 176.600 -0.021 0.000 1.023 485 K CA 0.129 56.407 56.287 -0.015 0.000 1.149 485 K CB 0.562 33.051 32.500 -0.019 0.000 0.859 485 K HN 0.398 nan 8.250 nan 0.000 0.514 486 G N 1.086 109.871 108.800 -0.026 0.000 2.569 486 G HA2 -0.297 3.659 3.960 -0.006 0.000 0.259 486 G HA3 -0.297 3.659 3.960 -0.006 0.000 0.259 486 G C -0.403 174.405 174.900 -0.152 0.000 1.263 486 G CA -0.357 44.715 45.100 -0.048 0.000 0.928 486 G HN 0.318 nan 8.290 nan 0.000 0.572 487 C N 0.472 119.653 119.300 -0.197 0.000 2.712 487 C HA 0.631 5.088 4.460 -0.006 0.000 0.308 487 C C 0.225 175.169 174.990 -0.077 0.000 1.201 487 C CA -1.159 57.692 59.018 -0.279 0.000 1.554 487 C CB 1.449 28.748 27.740 -0.735 0.000 2.117 487 C HN 0.767 nan 8.230 nan 0.000 0.480 488 N N 0.966 119.634 118.700 -0.052 0.000 2.492 488 N HA 0.105 4.842 4.740 -0.006 0.000 0.262 488 N C -0.400 175.180 175.510 0.117 0.000 1.202 488 N CA 0.064 53.126 53.050 0.020 0.000 0.926 488 N CB 0.811 39.299 38.487 0.002 0.000 1.078 488 N HN 0.458 nan 8.380 nan 0.000 0.454 489 V N 3.450 123.444 119.914 0.133 0.000 2.287 489 V HA 0.058 4.175 4.120 -0.006 0.000 0.246 489 V C 0.243 176.426 176.094 0.148 0.000 1.165 489 V CA -0.379 62.035 62.300 0.192 0.000 1.088 489 V CB -1.240 30.583 31.823 -0.000 0.000 1.242 489 V HN 0.727 nan 8.190 nan 0.000 0.497 490 N N 2.936 121.761 118.700 0.208 0.000 3.038 490 N HA 0.381 5.118 4.740 -0.006 0.000 0.307 490 N C 0.742 176.336 175.510 0.140 0.000 1.441 490 N CA -0.921 52.199 53.050 0.116 0.000 0.772 490 N CB 0.843 39.358 38.487 0.046 0.000 1.651 490 N HN 0.205 nan 8.380 nan 0.000 0.593 491 K N -0.507 119.925 120.400 0.053 0.000 2.288 491 K HA 0.087 4.403 4.320 -0.006 0.000 0.201 491 K C 0.912 177.488 176.600 -0.039 0.000 1.048 491 K CA 0.987 57.291 56.287 0.028 0.000 0.956 491 K CB -0.363 32.127 32.500 -0.017 0.000 0.746 491 K HN 0.478 nan 8.250 nan 0.000 0.461 492 L N 0.922 122.087 121.223 -0.097 0.000 2.095 492 L HA -0.029 4.307 4.340 -0.006 0.000 0.204 492 L C 1.668 178.581 176.870 0.071 0.000 1.080 492 L CA 1.333 56.077 54.840 -0.160 0.000 0.759 492 L CB -0.471 41.479 42.059 -0.182 0.000 0.914 492 L HN 0.274 nan 8.230 nan 0.000 0.439 493 N N -1.459 117.247 118.700 0.010 0.000 2.409 493 N HA -0.080 4.656 4.740 -0.006 0.000 0.179 493 N C -0.458 174.805 175.510 -0.410 0.000 1.032 493 N CA 0.598 53.571 53.050 -0.129 0.000 0.898 493 N CB 0.253 38.604 38.487 -0.227 0.000 0.971 493 N HN 0.218 nan 8.380 nan 0.000 0.441 494 Y N 0.382 120.749 120.300 0.112 0.000 2.662 494 Y HA 0.352 4.898 4.550 -0.006 0.000 0.358 494 Y C -2.412 173.515 175.900 0.045 0.000 1.041 494 Y CA -2.273 55.870 58.100 0.072 0.000 1.184 494 Y CB 0.933 39.432 38.460 0.066 0.000 1.114 494 Y HN -0.051 nan 8.280 nan 0.000 0.650 495 P HA 0.158 nan 4.420 nan 0.000 0.276 495 P C -2.021 175.323 177.300 0.074 0.000 1.252 495 P CA -1.508 61.653 63.100 0.102 0.000 0.802 495 P CB 1.436 33.214 31.700 0.129 0.000 1.035 496 P HA -0.017 nan 4.420 nan 0.000 0.220 496 P C 0.092 177.373 177.300 -0.032 0.000 1.152 496 P CA 1.054 64.221 63.100 0.112 0.000 0.812 496 P CB 0.134 31.957 31.700 0.204 0.000 0.792 497 F N 1.120 120.826 119.950 -0.407 0.000 2.449 497 F HA 0.471 4.995 4.527 -0.006 0.000 0.342 497 F C -0.756 174.888 175.800 -0.260 0.000 1.127 497 F CA -0.689 56.928 58.000 -0.637 0.000 0.975 497 F CB 1.344 39.713 39.000 -1.052 0.000 1.146 497 F HN -0.389 nan 8.300 nan 0.000 0.444 498 T N 8.413 122.419 114.554 -0.913 0.000 2.788 498 T HA 0.375 4.722 4.350 -0.006 0.000 0.296 498 T C -2.519 171.514 174.700 -1.112 0.000 1.009 498 T CA -1.242 60.377 62.100 -0.801 0.000 0.949 498 T CB 1.145 69.780 68.868 -0.389 0.000 0.946 498 T HN 0.343 nan 8.240 nan 0.000 0.453 499 P HA 0.130 nan 4.420 nan 0.000 0.272 499 P C 0.212 177.334 177.300 -0.297 0.000 1.254 499 P CA -0.337 62.417 63.100 -0.577 0.000 0.795 499 P CB 0.616 32.170 31.700 -0.243 0.000 1.022 500 D N -0.133 120.189 120.400 -0.130 0.000 2.644 500 D HA 0.036 4.673 4.640 -0.006 0.000 0.252 500 D C 0.328 176.595 176.300 -0.056 0.000 1.254 500 D CA -0.128 53.825 54.000 -0.079 0.000 0.884 500 D CB -1.483 39.298 40.800 -0.033 0.000 1.034 500 D HN 0.260 nan 8.370 nan 0.000 0.473 501 I N -2.183 118.340 120.570 -0.079 0.000 2.813 501 I HA 0.070 4.237 4.170 -0.006 0.000 0.287 501 I C 0.418 176.516 176.117 -0.031 0.000 1.196 501 I CA -1.024 60.258 61.300 -0.030 0.000 1.421 501 I CB 0.492 38.471 38.000 -0.034 0.000 1.365 501 I HN -0.163 nan 8.210 nan 0.000 0.591 502 L N 6.534 127.758 121.223 0.002 0.000 2.578 502 L HA 0.003 4.340 4.340 -0.006 0.000 0.279 502 L C 0.415 177.269 176.870 -0.027 0.000 1.227 502 L CA 1.240 56.078 54.840 -0.005 0.000 0.900 502 L CB -0.622 41.445 42.059 0.013 0.000 1.144 502 L HN 0.885 nan 8.230 nan 0.000 0.496 503 D N 1.801 122.180 120.400 -0.034 0.000 2.705 503 D HA -0.266 4.371 4.640 -0.006 0.000 0.187 503 D C 0.291 176.543 176.300 -0.080 0.000 1.015 503 D CA 1.257 55.225 54.000 -0.054 0.000 1.030 503 D CB -0.731 40.031 40.800 -0.063 0.000 1.100 503 D HN 0.889 nan 8.370 nan 0.000 0.439 504 K N -1.073 119.273 120.400 -0.091 0.000 3.156 504 K HA -0.206 4.111 4.320 -0.006 0.000 0.266 504 K C -0.302 176.209 176.600 -0.149 0.000 0.966 504 K CA 0.823 57.036 56.287 -0.123 0.000 0.719 504 K CB -1.268 31.172 32.500 -0.100 0.000 1.333 504 K HN 0.434 nan 8.250 nan 0.000 0.468 505 L N -0.536 120.573 121.223 -0.190 0.000 2.528 505 L HA 0.239 4.576 4.340 -0.006 0.000 0.267 505 L C 0.892 177.571 176.870 -0.317 0.000 0.961 505 L CA -0.592 54.071 54.840 -0.295 0.000 0.866 505 L CB 1.391 43.230 42.059 -0.366 0.000 1.248 505 L HN -0.033 nan 8.230 nan 0.000 0.404 506 M N 3.314 122.734 119.600 -0.299 0.000 2.106 506 M HA -0.175 4.301 4.480 -0.006 0.000 0.259 506 M C 1.203 177.488 176.300 -0.025 0.000 1.068 506 M CA 2.143 57.335 55.300 -0.180 0.000 1.100 506 M CB -0.933 31.570 32.600 -0.161 0.000 1.351 506 M HN 0.854 nan 8.290 nan 0.000 0.404 507 Y N -1.626 118.612 120.300 -0.104 0.000 2.493 507 Y HA 0.482 5.029 4.550 -0.005 0.000 0.275 507 Y C 0.868 176.733 175.900 -0.057 0.000 1.183 507 Y CA -0.787 57.261 58.100 -0.088 0.000 1.258 507 Y CB -0.731 37.662 38.460 -0.112 0.000 1.108 507 Y HN -0.060 nan 8.280 nan 0.000 0.521 508 S N 2.574 118.128 115.700 -0.242 0.000 2.525 508 S HA 0.107 4.573 4.470 -0.006 0.000 0.285 508 S C 0.683 175.275 174.600 -0.013 0.000 1.283 508 S CA -0.172 57.938 58.200 -0.149 0.000 1.072 508 S CB -0.083 63.026 63.200 -0.152 0.000 0.867 508 S HN 0.537 nan 8.310 nan 0.000 0.492 509 K N 1.119 121.539 120.400 0.034 0.000 3.281 509 K HA -0.139 4.177 4.320 -0.006 0.000 0.295 509 K C 0.147 176.772 176.600 0.042 0.000 1.233 509 K CA 1.375 57.701 56.287 0.065 0.000 0.866 509 K CB -2.283 30.261 32.500 0.072 0.000 1.265 509 K HN 0.789 nan 8.250 nan 0.000 0.482 510 T N -1.277 113.297 114.554 0.033 0.000 2.626 510 T HA 0.686 5.032 4.350 -0.006 0.000 0.299 510 T C -0.725 173.950 174.700 -0.042 0.000 1.181 510 T CA -0.380 61.705 62.100 -0.026 0.000 1.053 510 T CB 1.295 70.188 68.868 0.042 0.000 1.566 510 T HN 0.238 nan 8.240 nan 0.000 0.486 511 I N -0.289 120.201 120.570 -0.132 0.000 2.918 511 I HA 0.662 4.828 4.170 -0.006 0.000 0.316 511 I C 0.347 176.432 176.117 -0.053 0.000 1.001 511 I CA -0.984 60.230 61.300 -0.142 0.000 1.142 511 I CB 0.645 38.465 38.000 -0.301 0.000 1.356 511 I HN 0.542 nan 8.210 nan 0.000 0.524 512 C N 3.957 123.190 119.300 -0.112 0.000 2.597 512 C HA 0.020 4.476 4.460 -0.006 0.000 0.412 512 C C 2.083 177.047 174.990 -0.042 0.000 1.348 512 C CA -0.325 58.599 59.018 -0.156 0.000 1.769 512 C CB 0.004 27.631 27.740 -0.189 0.000 2.641 512 C HN 0.805 nan 8.230 nan 0.000 0.612 513 M N 2.611 122.212 119.600 0.003 0.000 2.358 513 M HA -0.067 4.410 4.480 -0.006 0.000 0.264 513 M C 1.526 177.874 176.300 0.079 0.000 1.064 513 M CA 1.504 56.865 55.300 0.102 0.000 1.093 513 M CB -0.973 31.752 32.600 0.208 0.000 1.401 513 M HN 0.814 nan 8.290 nan 0.000 0.440 514 D N -0.382 120.023 120.400 0.009 0.000 2.340 514 D HA 0.239 4.875 4.640 -0.006 0.000 0.217 514 D C 0.505 176.805 176.300 -0.000 0.000 1.081 514 D CA -0.063 53.937 54.000 -0.000 0.000 0.842 514 D CB -0.470 40.317 40.800 -0.023 0.000 0.934 514 D HN 0.084 nan 8.370 nan 0.000 0.511 515 A N 0.208 123.027 122.820 -0.001 0.000 2.466 515 A HA 0.421 4.738 4.320 -0.006 0.000 0.238 515 A C 0.044 177.642 177.584 0.023 0.000 1.074 515 A CA -0.341 51.697 52.037 0.003 0.000 0.774 515 A CB 0.600 19.593 19.000 -0.012 0.000 1.015 515 A HN 0.109 nan 8.150 nan 0.000 0.498 516 V N 2.958 122.888 119.914 0.025 0.000 2.409 516 V HA 0.360 4.477 4.120 -0.006 0.000 0.291 516 V C 0.089 176.203 176.094 0.033 0.000 1.020 516 V CA -0.328 61.991 62.300 0.032 0.000 0.848 516 V CB 0.956 32.793 31.823 0.023 0.000 0.990 516 V HN 1.020 nan 8.190 nan 0.000 0.430 517 Q N 2.077 121.902 119.800 0.043 0.000 2.378 517 Q HA 0.380 4.717 4.340 -0.006 0.000 0.276 517 Q C 1.109 177.130 176.000 0.036 0.000 1.083 517 Q CA -0.740 55.075 55.803 0.019 0.000 0.856 517 Q CB 1.825 30.571 28.738 0.013 0.000 1.383 517 Q HN 0.717 nan 8.270 nan 0.000 0.458 518 N N 0.172 118.861 118.700 -0.017 0.000 2.091 518 N HA -0.184 4.553 4.740 -0.006 0.000 0.193 518 N C 0.634 176.283 175.510 0.231 0.000 1.021 518 N CA 1.532 54.607 53.050 0.042 0.000 0.862 518 N CB 0.143 38.602 38.487 -0.047 0.000 1.018 518 N HN 0.576 nan 8.380 nan 0.000 0.429 519 W N 0.653 121.974 121.300 0.036 0.000 2.905 519 W HA 0.334 4.991 4.660 -0.006 0.000 0.251 519 W C 1.302 177.888 176.519 0.112 0.000 1.305 519 W CA 0.845 58.233 57.345 0.072 0.000 1.465 519 W CB -0.586 28.921 29.460 0.077 0.000 1.122 519 W HN 0.208 nan 8.180 nan 0.000 0.659 520 G N -0.389 108.576 108.800 0.275 0.000 2.340 520 G HA2 0.001 3.958 3.960 -0.006 0.000 0.282 520 G HA3 0.001 3.958 3.960 -0.006 0.000 0.282 520 G C -1.124 173.833 174.900 0.094 0.000 1.312 520 G CA -1.237 43.965 45.100 0.170 0.000 0.942 520 G HN -0.179 nan 8.290 nan 0.000 0.495 521 K N -0.164 120.264 120.400 0.046 0.000 2.237 521 K HA 0.346 4.662 4.320 -0.006 0.000 0.270 521 K C 1.421 178.051 176.600 0.051 0.000 1.015 521 K CA -0.043 56.270 56.287 0.043 0.000 0.949 521 K CB 1.330 33.852 32.500 0.038 0.000 0.976 521 K HN 0.557 nan 8.250 nan 0.000 0.472 522 Q N 1.970 121.817 119.800 0.078 0.000 2.135 522 Q HA -0.259 4.078 4.340 -0.006 0.000 0.204 522 Q C 1.393 177.483 176.000 0.150 0.000 0.981 522 Q CA 1.764 57.631 55.803 0.106 0.000 0.856 522 Q CB -0.347 28.444 28.738 0.088 0.000 0.902 522 Q HN 0.721 nan 8.270 nan 0.000 0.425 523 Y N 0.687 120.996 120.300 0.015 0.000 2.139 523 Y HA -0.313 4.233 4.550 -0.006 0.000 0.282 523 Y C 1.491 177.367 175.900 -0.040 0.000 1.179 523 Y CA 2.409 60.513 58.100 0.007 0.000 1.161 523 Y CB -0.057 38.378 38.460 -0.041 0.000 0.970 523 Y HN 0.279 nan 8.280 nan 0.000 0.511 524 D N -1.127 119.235 120.400 -0.063 0.000 2.216 524 D HA -0.070 4.567 4.640 -0.006 0.000 0.208 524 D C 1.896 177.943 176.300 -0.421 0.000 0.960 524 D CA 1.725 55.414 54.000 -0.518 0.000 0.861 524 D CB -0.230 39.828 40.800 -1.235 0.000 0.985 524 D HN 0.410 nan 8.370 nan 0.000 0.493 525 V N -1.407 118.411 119.914 -0.160 0.000 3.578 525 V HA 0.109 4.226 4.120 -0.006 0.000 0.290 525 V C 1.978 178.107 176.094 0.059 0.000 1.376 525 V CA -0.002 62.305 62.300 0.011 0.000 1.083 525 V CB -0.225 31.697 31.823 0.165 0.000 0.911 525 V HN 0.149 nan 8.190 nan 0.000 0.433 526 H N 2.142 121.194 119.070 -0.029 0.000 2.321 526 H HA -0.196 4.357 4.556 -0.005 0.000 0.295 526 H C 1.921 177.172 175.328 -0.128 0.000 1.102 526 H CA 2.455 58.447 56.048 -0.093 0.000 1.266 526 H CB -0.146 29.503 29.762 -0.189 0.000 1.363 526 H HN 0.538 nan 8.280 nan 0.000 0.492 527 S N 0.261 115.872 115.700 -0.149 0.000 2.603 527 S HA 0.066 4.532 4.470 -0.006 0.000 0.229 527 S C 1.917 176.440 174.600 -0.128 0.000 0.972 527 S CA 0.164 58.265 58.200 -0.165 0.000 0.935 527 S CB 0.050 63.197 63.200 -0.089 0.000 0.769 527 S HN 0.362 nan 8.310 nan 0.000 0.536 528 L N -0.535 120.618 121.223 -0.116 0.000 2.607 528 L HA 0.225 4.562 4.340 -0.006 0.000 0.228 528 L C 1.616 178.559 176.870 0.122 0.000 1.123 528 L CA 0.116 54.953 54.840 -0.005 0.000 0.890 528 L CB -0.316 41.798 42.059 0.092 0.000 1.103 528 L HN 0.265 nan 8.230 nan 0.000 0.468 529 Y N 1.443 121.698 120.300 -0.075 0.000 2.114 529 Y HA -0.174 4.373 4.550 -0.005 0.000 0.284 529 Y C 2.362 178.230 175.900 -0.053 0.000 1.143 529 Y CA 1.938 59.992 58.100 -0.076 0.000 1.135 529 Y CB -0.150 38.220 38.460 -0.149 0.000 0.980 529 Y HN 0.132 nan 8.280 nan 0.000 0.499 530 G N -1.378 107.515 108.800 0.154 0.000 2.402 530 G HA2 -0.354 3.602 3.960 -0.006 0.000 0.216 530 G HA3 -0.354 3.602 3.960 -0.006 0.000 0.216 530 G C 1.540 176.462 174.900 0.036 0.000 1.162 530 G CA 0.932 46.086 45.100 0.089 0.000 0.777 530 G HN 0.573 nan 8.290 nan 0.000 0.539 531 Y N 2.868 123.168 120.300 0.000 0.000 2.097 531 Y HA -0.271 4.275 4.550 -0.006 0.000 0.282 531 Y C 3.145 178.969 175.900 -0.127 0.000 1.152 531 Y CA 2.334 60.443 58.100 0.014 0.000 1.136 531 Y CB -0.441 38.097 38.460 0.131 0.000 0.975 531 Y HN 0.315 nan 8.280 nan 0.000 0.498 532 S N -0.072 115.498 115.700 -0.216 0.000 2.383 532 S HA -0.285 4.182 4.470 -0.006 0.000 0.227 532 S C 2.184 176.435 174.600 -0.582 0.000 1.026 532 S CA 1.414 59.331 58.200 -0.472 0.000 0.981 532 S CB -0.823 62.026 63.200 -0.584 0.000 0.818 532 S HN 0.685 nan 8.310 nan 0.000 0.472 533 M N 1.380 120.564 119.600 -0.693 0.000 2.229 533 M HA 0.046 4.522 4.480 -0.006 0.000 0.264 533 M C 2.287 178.173 176.300 -0.690 0.000 1.063 533 M CA 1.455 56.088 55.300 -1.111 0.000 1.114 533 M CB -0.474 31.440 32.600 -1.145 0.000 1.387 533 M HN 0.523 nan 8.290 nan 0.000 0.420 534 A N 0.677 123.239 122.820 -0.431 0.000 1.898 534 A HA -0.104 4.212 4.320 -0.006 0.000 0.216 534 A C 1.910 179.299 177.584 -0.326 0.000 1.181 534 A CA 1.352 53.223 52.037 -0.276 0.000 0.620 534 A CB -0.858 18.062 19.000 -0.133 0.000 0.819 534 A HN 0.566 nan 8.150 nan 0.000 0.442 535 I N 0.037 120.268 120.570 -0.564 0.000 2.118 535 I HA -0.344 3.823 4.170 -0.006 0.000 0.241 535 I C 3.002 178.956 176.117 -0.273 0.000 1.070 535 I CA 1.292 62.252 61.300 -0.567 0.000 1.327 535 I CB -0.401 37.191 38.000 -0.679 0.000 1.034 535 I HN 0.354 nan 8.210 nan 0.000 0.405 536 A N 0.195 122.847 122.820 -0.280 0.000 1.917 536 A HA -0.240 4.077 4.320 -0.006 0.000 0.219 536 A C 2.373 179.999 177.584 0.071 0.000 1.182 536 A CA 2.684 54.656 52.037 -0.109 0.000 0.633 536 A CB -1.169 17.719 19.000 -0.186 0.000 0.819 536 A HN 0.456 nan 8.150 nan 0.000 0.448 537 T N -0.860 113.703 114.554 0.015 0.000 2.857 537 T HA -0.076 4.271 4.350 -0.006 0.000 0.266 537 T C 1.806 176.582 174.700 0.127 0.000 1.048 537 T CA 1.146 63.371 62.100 0.207 0.000 1.139 537 T CB -0.173 68.800 68.868 0.175 0.000 0.874 537 T HN 0.691 nan 8.240 nan 0.000 0.455 538 E N 1.272 121.499 120.200 0.044 0.000 2.097 538 E HA -0.240 4.106 4.350 -0.006 0.000 0.196 538 E C 2.159 178.804 176.600 0.076 0.000 1.000 538 E CA 1.259 57.695 56.400 0.060 0.000 0.804 538 E CB -0.032 29.701 29.700 0.055 0.000 0.740 538 E HN 0.572 nan 8.360 nan 0.000 0.454 539 Q N -0.374 119.465 119.800 0.065 0.000 2.172 539 Q HA -0.062 4.275 4.340 -0.006 0.000 0.200 539 Q C 2.152 178.202 176.000 0.083 0.000 0.964 539 Q CA 0.947 56.792 55.803 0.069 0.000 0.855 539 Q CB -0.033 28.739 28.738 0.056 0.000 0.918 539 Q HN 0.317 nan 8.270 nan 0.000 0.444 540 A N 0.504 123.399 122.820 0.124 0.000 1.883 540 A HA -0.172 4.145 4.320 -0.006 0.000 0.217 540 A C 2.325 179.951 177.584 0.070 0.000 1.186 540 A CA 1.449 53.534 52.037 0.081 0.000 0.624 540 A CB -0.848 18.206 19.000 0.090 0.000 0.822 540 A HN 0.218 nan 8.150 nan 0.000 0.444 541 V N 0.003 120.008 119.914 0.152 0.000 2.332 541 V HA -0.271 3.845 4.120 -0.006 0.000 0.248 541 V C 2.736 178.940 176.094 0.183 0.000 1.055 541 V CA 2.139 64.595 62.300 0.260 0.000 1.038 541 V CB -0.682 31.299 31.823 0.263 0.000 0.651 541 V HN 0.550 nan 8.190 nan 0.000 0.450 542 Q N -0.323 119.542 119.800 0.108 0.000 2.226 542 Q HA -0.204 4.133 4.340 -0.006 0.000 0.204 542 Q C 2.219 178.232 176.000 0.020 0.000 0.975 542 Q CA 1.549 57.395 55.803 0.072 0.000 0.866 542 Q CB -0.313 28.460 28.738 0.058 0.000 0.915 542 Q HN 0.658 nan 8.270 nan 0.000 0.440 543 K N -0.041 120.351 120.400 -0.013 0.000 2.062 543 K HA -0.047 4.269 4.320 -0.006 0.000 0.205 543 K C 1.928 178.431 176.600 -0.162 0.000 1.051 543 K CA 0.824 57.070 56.287 -0.068 0.000 0.941 543 K CB 0.293 32.751 32.500 -0.070 0.000 0.719 543 K HN -0.026 nan 8.250 nan 0.000 0.440 544 V N 0.443 120.194 119.914 -0.270 0.000 2.535 544 V HA -0.043 4.074 4.120 -0.006 0.000 0.246 544 V C 0.359 175.934 176.094 -0.865 0.000 1.045 544 V CA 1.079 62.978 62.300 -0.668 0.000 1.058 544 V CB -0.177 31.071 31.823 -0.957 0.000 0.689 544 V HN 0.149 nan 8.190 nan 0.000 0.461 545 F N 0.488 120.348 119.950 -0.150 0.000 2.550 545 F HA 0.470 4.994 4.527 -0.006 0.000 0.348 545 F C -2.671 173.100 175.800 -0.049 0.000 1.219 545 F CA -2.924 55.009 58.000 -0.110 0.000 1.203 545 F CB 0.194 39.148 39.000 -0.076 0.000 1.436 545 F HN 0.008 nan 8.300 nan 0.000 0.541 546 P HA 0.046 nan 4.420 nan 0.000 0.264 546 P C 0.158 177.500 177.300 0.069 0.000 1.193 546 P CA 0.521 63.651 63.100 0.050 0.000 0.763 546 P CB 0.370 32.078 31.700 0.013 0.000 0.810 547 N N -0.416 118.322 118.700 0.064 0.000 2.741 547 N HA -0.165 4.572 4.740 -0.006 0.000 0.251 547 N C -0.237 175.308 175.510 0.058 0.000 1.112 547 N CA 1.224 54.306 53.050 0.054 0.000 0.750 547 N CB -0.899 37.612 38.487 0.041 0.000 1.119 547 N HN 0.440 nan 8.380 nan 0.000 0.561 548 K N 0.526 120.978 120.400 0.087 0.000 2.221 548 K HA 0.402 4.719 4.320 -0.006 0.000 0.243 548 K C 1.427 178.056 176.600 0.049 0.000 0.968 548 K CA -0.640 55.689 56.287 0.069 0.000 0.846 548 K CB 1.248 33.799 32.500 0.085 0.000 1.141 548 K HN 0.033 nan 8.250 nan 0.000 0.434 549 R N 0.345 120.853 120.500 0.013 0.000 2.100 549 R HA -0.019 4.318 4.340 -0.006 0.000 0.220 549 R C 0.898 177.179 176.300 -0.032 0.000 1.091 549 R CA 0.779 56.866 56.100 -0.022 0.000 0.986 549 R CB 0.016 30.275 30.300 -0.068 0.000 0.888 549 R HN 0.866 nan 8.270 nan 0.000 0.444 550 S N -0.677 115.003 115.700 -0.032 0.000 3.525 550 S HA -0.311 4.155 4.470 -0.006 0.000 0.629 550 S C -0.618 174.009 174.600 0.043 0.000 2.621 550 S CA 1.193 59.373 58.200 -0.034 0.000 3.752 550 S CB -0.788 62.281 63.200 -0.219 0.000 0.260 550 S HN 0.290 nan 8.310 nan 0.000 1.214 551 F N 0.742 120.630 119.950 -0.104 0.000 2.622 551 F HA 0.724 5.248 4.527 -0.006 0.000 0.318 551 F C -1.304 174.458 175.800 -0.063 0.000 1.135 551 F CA -0.693 57.180 58.000 -0.212 0.000 1.015 551 F CB 0.982 39.792 39.000 -0.317 0.000 1.275 551 F HN 0.547 nan 8.300 nan 0.000 0.457 552 I N 7.144 127.301 120.570 -0.689 0.000 2.468 552 I HA 0.381 4.548 4.170 -0.006 0.000 0.285 552 I C -1.592 173.985 176.117 -0.898 0.000 1.039 552 I CA -0.895 60.060 61.300 -0.575 0.000 1.074 552 I CB 1.869 39.737 38.000 -0.221 0.000 1.228 552 I HN 0.462 nan 8.210 nan 0.000 0.436 553 L N 6.301 127.019 121.223 -0.842 0.000 2.287 553 L HA 0.620 4.957 4.340 -0.006 0.000 0.287 553 L C -0.145 176.697 176.870 -0.047 0.000 1.022 553 L CA 0.350 54.831 54.840 -0.599 0.000 0.814 553 L CB 1.664 43.288 42.059 -0.724 0.000 1.217 553 L HN 0.585 nan 8.230 nan 0.000 0.420 554 T N 3.717 118.317 114.554 0.076 0.000 2.912 554 T HA 0.412 4.758 4.350 -0.006 0.000 0.288 554 T C 0.799 175.729 174.700 0.383 0.000 1.030 554 T CA -0.438 61.800 62.100 0.230 0.000 1.020 554 T CB 1.536 70.468 68.868 0.106 0.000 1.056 554 T HN 0.822 nan 8.240 nan 0.000 0.480 555 R N 1.884 122.565 120.500 0.301 0.000 2.055 555 R HA 0.238 4.575 4.340 -0.006 0.000 0.221 555 R C 0.797 177.142 176.300 0.074 0.000 1.154 555 R CA 0.378 56.450 56.100 -0.046 0.000 0.975 555 R CB -0.247 29.917 30.300 -0.227 0.000 0.869 555 R HN 0.534 nan 8.270 nan 0.000 0.437 556 S N 0.222 115.992 115.700 0.117 0.000 2.537 556 S HA 0.261 4.728 4.470 -0.006 0.000 0.275 556 S C -0.629 174.057 174.600 0.143 0.000 1.272 556 S CA -0.454 57.837 58.200 0.151 0.000 1.050 556 S CB 1.161 64.447 63.200 0.143 0.000 0.961 556 S HN 0.421 nan 8.310 nan 0.000 0.496 557 T N 2.137 116.784 114.554 0.155 0.000 2.903 557 T HA 0.724 5.071 4.350 -0.006 0.000 0.299 557 T C -0.984 173.894 174.700 0.297 0.000 1.093 557 T CA -0.678 61.544 62.100 0.202 0.000 1.002 557 T CB 1.284 70.225 68.868 0.121 0.000 1.127 557 T HN 0.484 nan 8.240 nan 0.000 0.488 558 F N 1.209 121.254 119.950 0.158 0.000 2.679 558 F HA 0.774 5.297 4.527 -0.006 0.000 0.341 558 F C 0.081 175.931 175.800 0.082 0.000 1.095 558 F CA -1.045 57.004 58.000 0.082 0.000 1.004 558 F CB 1.242 40.189 39.000 -0.089 0.000 1.388 558 F HN 1.022 nan 8.300 nan 0.000 0.505 559 A N 1.401 123.733 122.820 -0.814 0.000 2.580 559 A HA 0.383 4.700 4.320 -0.006 0.000 0.244 559 A C 1.140 178.723 177.584 -0.001 0.000 1.045 559 A CA 1.009 52.782 52.037 -0.440 0.000 0.761 559 A CB -1.404 17.238 19.000 -0.596 0.000 0.962 559 A HN 2.114 nan 8.150 nan 0.000 0.512 560 G N 1.897 110.670 108.800 -0.046 0.000 2.159 560 G HA2 -0.279 3.677 3.960 -0.006 0.000 0.256 560 G HA3 -0.279 3.677 3.960 -0.006 0.000 0.256 560 G C 1.191 176.223 174.900 0.219 0.000 0.977 560 G CA 0.855 45.986 45.100 0.051 0.000 0.652 560 G HN 1.108 nan 8.290 nan 0.000 0.531 561 S N -0.006 115.882 115.700 0.314 0.000 2.419 561 S HA 0.039 4.506 4.470 -0.006 0.000 0.233 561 S C 2.532 177.228 174.600 0.159 0.000 1.016 561 S CA 1.668 60.096 58.200 0.380 0.000 0.974 561 S CB -0.398 63.010 63.200 0.347 0.000 0.786 561 S HN 1.273 nan 8.310 nan 0.000 0.492 562 G N 1.195 110.041 108.800 0.077 0.000 2.479 562 G HA2 -0.240 3.716 3.960 -0.006 0.000 0.220 562 G HA3 -0.240 3.716 3.960 -0.006 0.000 0.220 562 G C 1.290 176.122 174.900 -0.114 0.000 1.115 562 G CA 0.501 45.608 45.100 0.012 0.000 0.757 562 G HN 0.440 nan 8.290 nan 0.000 0.560 563 R N -0.550 119.785 120.500 -0.276 0.000 2.189 563 R HA -0.047 4.289 4.340 -0.006 0.000 0.223 563 R C 1.667 177.626 176.300 -0.569 0.000 1.092 563 R CA 1.184 56.982 56.100 -0.503 0.000 0.989 563 R CB -0.061 29.791 30.300 -0.747 0.000 0.876 563 R HN 0.497 nan 8.270 nan 0.000 0.457 564 H N -2.526 116.522 119.070 -0.036 0.000 3.017 564 H HA 0.404 4.957 4.556 -0.006 0.000 0.255 564 H C 0.107 175.385 175.328 -0.084 0.000 0.990 564 H CA 0.627 56.637 56.048 -0.062 0.000 1.205 564 H CB 1.093 30.801 29.762 -0.090 0.000 1.460 564 H HN 0.201 nan 8.280 nan 0.000 0.478 565 A N 0.621 123.444 122.820 0.005 0.000 2.581 565 A HA 0.730 5.047 4.320 -0.006 0.000 0.290 565 A C -1.111 176.417 177.584 -0.094 0.000 1.119 565 A CA -0.100 51.891 52.037 -0.076 0.000 0.670 565 A CB 0.998 19.968 19.000 -0.051 0.000 1.280 565 A HN 0.236 nan 8.150 nan 0.000 0.425 566 A N -0.412 122.279 122.820 -0.214 0.000 2.261 566 A HA 0.843 5.159 4.320 -0.006 0.000 0.323 566 A C -0.440 177.074 177.584 -0.117 0.000 1.107 566 A CA -0.040 51.878 52.037 -0.200 0.000 0.883 566 A CB 0.733 19.491 19.000 -0.403 0.000 1.251 566 A HN 1.812 nan 8.150 nan 0.000 0.502 567 H N -1.761 117.182 119.070 -0.213 0.000 2.980 567 H HA 0.585 5.137 4.556 -0.006 0.000 0.367 567 H C -1.475 173.807 175.328 -0.078 0.000 1.206 567 H CA -0.690 55.256 56.048 -0.169 0.000 1.126 567 H CB 1.211 30.771 29.762 -0.337 0.000 1.838 567 H HN 0.935 nan 8.280 nan 0.000 0.552 568 W N 4.798 125.498 121.300 -1.001 0.000 2.962 568 W HA 0.432 5.089 4.660 -0.005 0.000 0.341 568 W C -1.025 174.953 176.519 -0.902 0.000 1.155 568 W CA -1.195 55.753 57.345 -0.661 0.000 1.165 568 W CB 0.856 30.152 29.460 -0.274 0.000 1.435 568 W HN 0.510 nan 8.180 nan 0.000 0.546 569 L N 3.848 124.699 121.223 -0.619 0.000 2.622 569 L HA 0.275 4.612 4.340 -0.006 0.000 0.233 569 L C 1.304 177.875 176.870 -0.499 0.000 1.156 569 L CA 1.034 55.601 54.840 -0.456 0.000 0.866 569 L CB -1.404 40.613 42.059 -0.069 0.000 0.980 569 L HN 1.021 nan 8.230 nan 0.000 0.448 570 G N 0.186 108.227 108.800 -1.266 0.000 2.527 570 G HA2 -0.238 3.719 3.960 -0.006 0.000 0.227 570 G HA3 -0.238 3.719 3.960 -0.006 0.000 0.227 570 G C -0.667 174.138 174.900 -0.158 0.000 1.291 570 G CA -0.400 44.072 45.100 -1.048 0.000 0.904 570 G HN 0.187 nan 8.290 nan 0.000 0.577 571 D N 2.504 122.916 120.400 0.019 0.000 2.608 571 D HA 0.290 4.926 4.640 -0.006 0.000 0.224 571 D C 1.228 177.742 176.300 0.356 0.000 1.123 571 D CA 0.133 54.170 54.000 0.063 0.000 1.030 571 D CB -0.531 40.353 40.800 0.141 0.000 1.093 571 D HN 0.647 nan 8.370 nan 0.000 0.497 572 N N -0.315 118.598 118.700 0.354 0.000 2.285 572 N HA 0.151 4.888 4.740 -0.006 0.000 0.262 572 N C -0.170 175.566 175.510 0.377 0.000 1.299 572 N CA -0.185 53.088 53.050 0.372 0.000 0.930 572 N CB 0.343 39.053 38.487 0.372 0.000 1.157 572 N HN -0.154 nan 8.380 nan 0.000 0.532 573 T N -0.952 113.786 114.554 0.306 0.000 2.887 573 T HA 0.639 4.985 4.350 -0.006 0.000 0.288 573 T C -0.353 174.472 174.700 0.209 0.000 1.021 573 T CA -0.567 61.652 62.100 0.199 0.000 1.000 573 T CB 1.297 70.263 68.868 0.164 0.000 1.034 573 T HN 0.706 nan 8.240 nan 0.000 0.467 574 A N 2.953 125.828 122.820 0.092 0.000 2.981 574 A HA 0.516 4.832 4.320 -0.006 0.000 0.280 574 A C 0.629 178.272 177.584 0.099 0.000 1.797 574 A CA -0.401 51.712 52.037 0.126 0.000 1.456 574 A CB -1.072 17.919 19.000 -0.015 0.000 1.057 574 A HN 0.807 nan 8.150 nan 0.000 0.602 575 S N -0.553 115.210 115.700 0.104 0.000 2.588 575 S HA 0.522 4.988 4.470 -0.006 0.000 0.275 575 S C 0.191 174.675 174.600 -0.194 0.000 1.130 575 S CA -0.795 57.400 58.200 -0.008 0.000 0.855 575 S CB 0.481 63.685 63.200 0.006 0.000 1.116 575 S HN 0.498 nan 8.310 nan 0.000 0.472 576 W N 1.110 122.310 121.300 -0.166 0.000 2.358 576 W HA 0.038 4.694 4.660 -0.006 0.000 0.303 576 W C 2.332 178.599 176.519 -0.421 0.000 1.208 576 W CA 1.482 58.667 57.345 -0.267 0.000 1.274 576 W CB -0.458 28.899 29.460 -0.171 0.000 1.138 576 W HN 0.847 nan 8.180 nan 0.000 0.515 577 E N -0.113 119.918 120.200 -0.282 0.000 2.058 577 E HA -0.268 4.079 4.350 -0.006 0.000 0.194 577 E C 2.130 177.948 176.600 -1.305 0.000 0.997 577 E CA 1.401 57.326 56.400 -0.791 0.000 0.801 577 E CB -0.431 28.736 29.700 -0.889 0.000 0.746 577 E HN 0.384 nan 8.360 nan 0.000 0.450 578 Q N -0.061 119.214 119.800 -0.875 0.000 2.170 578 Q HA -0.160 4.177 4.340 -0.006 0.000 0.203 578 Q C 2.124 177.926 176.000 -0.330 0.000 0.976 578 Q CA 1.024 56.554 55.803 -0.454 0.000 0.858 578 Q CB -0.184 28.556 28.738 0.005 0.000 0.907 578 Q HN 0.390 nan 8.270 nan 0.000 0.433 579 M N 0.494 119.651 119.600 -0.738 0.000 2.156 579 M HA -0.174 4.303 4.480 -0.006 0.000 0.264 579 M C 2.061 178.078 176.300 -0.472 0.000 1.067 579 M CA 1.516 56.136 55.300 -1.133 0.000 1.131 579 M CB -0.017 31.528 32.600 -1.758 0.000 1.368 579 M HN 0.105 nan 8.290 nan 0.000 0.416 580 E N -0.223 119.757 120.200 -0.367 0.000 2.058 580 E HA -0.237 4.109 4.350 -0.006 0.000 0.194 580 E C 1.596 178.251 176.600 0.092 0.000 0.997 580 E CA 1.791 58.120 56.400 -0.119 0.000 0.801 580 E CB -0.191 29.455 29.700 -0.091 0.000 0.746 580 E HN 0.692 nan 8.360 nan 0.000 0.450 581 W N 0.907 122.223 121.300 0.027 0.000 2.525 581 W HA -0.033 4.623 4.660 -0.006 0.000 0.259 581 W C 2.600 179.161 176.519 0.071 0.000 1.253 581 W CA 1.043 58.427 57.345 0.065 0.000 1.262 581 W CB -1.130 28.383 29.460 0.087 0.000 1.122 581 W HN 0.218 nan 8.180 nan 0.000 0.607 582 S N 0.068 115.925 115.700 0.262 0.000 2.447 582 S HA -0.154 4.312 4.470 -0.006 0.000 0.233 582 S C 1.734 176.406 174.600 0.119 0.000 1.006 582 S CA 1.009 59.337 58.200 0.213 0.000 0.957 582 S CB -0.736 62.645 63.200 0.301 0.000 0.773 582 S HN 0.240 nan 8.310 nan 0.000 0.507 583 I N 1.588 122.224 120.570 0.111 0.000 2.202 583 I HA -0.132 4.035 4.170 -0.006 0.000 0.242 583 I C 2.797 178.887 176.117 -0.044 0.000 1.091 583 I CA 1.452 62.747 61.300 -0.008 0.000 1.368 583 I CB -0.946 37.074 38.000 0.033 0.000 1.058 583 I HN 0.308 nan 8.210 nan 0.000 0.410 584 T N 0.588 115.179 114.554 0.062 0.000 2.708 584 T HA -0.130 4.217 4.350 -0.006 0.000 0.266 584 T C 1.934 176.691 174.700 0.094 0.000 1.037 584 T CA 1.551 63.704 62.100 0.089 0.000 1.146 584 T CB -0.755 68.227 68.868 0.189 0.000 0.865 584 T HN 0.584 nan 8.240 nan 0.000 0.435 585 G N 1.413 110.288 108.800 0.125 0.000 2.491 585 G HA2 -0.308 3.649 3.960 -0.006 0.000 0.218 585 G HA3 -0.308 3.649 3.960 -0.006 0.000 0.218 585 G C 1.565 176.590 174.900 0.209 0.000 1.180 585 G CA 1.236 46.445 45.100 0.182 0.000 0.774 585 G HN 0.470 nan 8.290 nan 0.000 0.562 586 M N -0.031 119.608 119.600 0.064 0.000 2.073 586 M HA -0.052 4.425 4.480 -0.006 0.000 0.258 586 M C 2.542 178.831 176.300 -0.017 0.000 1.070 586 M CA 1.557 56.858 55.300 0.000 0.000 1.103 586 M CB -0.248 32.252 32.600 -0.168 0.000 1.321 586 M HN 0.233 nan 8.290 nan 0.000 0.405 587 L N -0.173 120.961 121.223 -0.148 0.000 2.083 587 L HA -0.215 4.122 4.340 -0.006 0.000 0.209 587 L C 2.243 179.015 176.870 -0.163 0.000 1.083 587 L CA 1.516 56.187 54.840 -0.283 0.000 0.752 587 L CB -0.785 40.851 42.059 -0.705 0.000 0.899 587 L HN 0.407 nan 8.230 nan 0.000 0.433 588 E N -0.278 119.873 120.200 -0.081 0.000 2.077 588 E HA -0.204 4.142 4.350 -0.006 0.000 0.193 588 E C 2.080 178.135 176.600 -0.908 0.000 0.989 588 E CA 1.260 57.427 56.400 -0.388 0.000 0.800 588 E CB -0.115 29.435 29.700 -0.249 0.000 0.746 588 E HN 0.347 nan 8.360 nan 0.000 0.452 589 F N 0.921 120.708 119.950 -0.273 0.000 2.293 589 F HA -0.147 4.376 4.527 -0.006 0.000 0.300 589 F C 2.526 178.296 175.800 -0.050 0.000 1.086 589 F CA 0.827 58.803 58.000 -0.040 0.000 1.375 589 F CB -0.077 39.030 39.000 0.177 0.000 1.045 589 F HN -0.093 nan 8.300 nan 0.000 0.516 590 S N 0.592 116.311 115.700 0.031 0.000 2.370 590 S HA -0.199 4.268 4.470 -0.006 0.000 0.226 590 S C 2.146 176.730 174.600 -0.027 0.000 1.033 590 S CA 1.274 59.466 58.200 -0.014 0.000 1.011 590 S CB -0.605 62.546 63.200 -0.082 0.000 0.852 590 S HN 0.320 nan 8.310 nan 0.000 0.457 591 L N -0.046 121.097 121.223 -0.134 0.000 2.083 591 L HA -0.070 4.266 4.340 -0.006 0.000 0.209 591 L C 1.852 178.751 176.870 0.048 0.000 1.083 591 L CA 1.101 55.923 54.840 -0.031 0.000 0.752 591 L CB -0.678 41.314 42.059 -0.112 0.000 0.899 591 L HN 0.283 nan 8.230 nan 0.000 0.433 592 F N 0.384 120.363 119.950 0.049 0.000 2.748 592 F HA 0.171 4.694 4.527 -0.006 0.000 0.299 592 F C 1.862 177.736 175.800 0.122 0.000 1.154 592 F CA 0.313 58.328 58.000 0.025 0.000 1.446 592 F CB -1.221 37.694 39.000 -0.141 0.000 1.112 592 F HN 0.206 nan 8.300 nan 0.000 0.584 593 G N 1.105 110.037 108.800 0.220 0.000 2.182 593 G HA2 -0.293 3.664 3.960 -0.006 0.000 0.248 593 G HA3 -0.293 3.664 3.960 -0.006 0.000 0.248 593 G C 0.150 175.125 174.900 0.124 0.000 1.042 593 G CA 0.018 45.185 45.100 0.111 0.000 0.775 593 G HN 0.390 nan 8.290 nan 0.000 0.501 594 I N 0.922 121.627 120.570 0.225 0.000 2.620 594 I HA 0.198 4.365 4.170 -0.006 0.000 0.280 594 I C -0.938 175.304 176.117 0.208 0.000 1.143 594 I CA -2.164 59.280 61.300 0.239 0.000 1.163 594 I CB 1.260 39.496 38.000 0.393 0.000 1.461 594 I HN -0.065 nan 8.210 nan 0.000 0.530 595 P HA -0.124 nan 4.420 nan 0.000 0.219 595 P C 0.715 178.157 177.300 0.238 0.000 1.150 595 P CA 0.662 63.813 63.100 0.086 0.000 0.814 595 P CB 0.560 32.214 31.700 -0.076 0.000 0.787 596 L N 1.135 122.576 121.223 0.364 0.000 2.401 596 L HA 0.318 4.655 4.340 -0.006 0.000 0.283 596 L C -0.388 176.590 176.870 0.180 0.000 1.151 596 L CA -0.126 54.908 54.840 0.325 0.000 0.942 596 L CB -0.407 41.721 42.059 0.116 0.000 1.283 596 L HN -0.250 nan 8.230 nan 0.000 0.442 597 V N 4.162 124.211 119.914 0.226 0.000 3.087 597 V HA 1.019 5.135 4.120 -0.006 0.000 0.306 597 V C -0.201 175.994 176.094 0.168 0.000 1.187 597 V CA 0.354 62.739 62.300 0.142 0.000 0.999 597 V CB 2.011 33.886 31.823 0.086 0.000 1.049 597 V HN 0.779 nan 8.190 nan 0.000 0.431 598 G N 2.785 111.645 108.800 0.101 0.000 2.548 598 G HA2 0.888 4.845 3.960 -0.006 0.000 0.301 598 G HA3 0.888 4.845 3.960 -0.006 0.000 0.301 598 G C -1.280 173.492 174.900 -0.212 0.000 1.349 598 G CA -0.069 44.894 45.100 -0.228 0.000 0.792 598 G HN 1.538 nan 8.290 nan 0.000 0.481 599 A N -0.573 122.014 122.820 -0.388 0.000 2.386 599 A HA 0.716 5.032 4.320 -0.006 0.000 0.308 599 A C -0.971 176.734 177.584 0.202 0.000 1.128 599 A CA -0.609 51.464 52.037 0.060 0.000 0.789 599 A CB 1.208 20.329 19.000 0.202 0.000 1.325 599 A HN 0.443 nan 8.150 nan 0.000 0.437 600 D N 1.737 122.260 120.400 0.206 0.000 2.356 600 D HA 0.159 4.796 4.640 -0.006 0.000 0.272 600 D C 0.128 176.223 176.300 -0.342 0.000 1.337 600 D CA 0.917 54.946 54.000 0.049 0.000 0.970 600 D CB -0.039 40.882 40.800 0.202 0.000 1.092 600 D HN 0.374 nan 8.370 nan 0.000 0.516 601 I N 1.622 121.994 120.570 -0.331 0.000 2.648 601 I HA -0.112 4.054 4.170 -0.006 0.000 0.284 601 I C 1.139 176.757 176.117 -0.831 0.000 1.153 601 I CA -0.196 60.657 61.300 -0.744 0.000 1.426 601 I CB 0.533 38.431 38.000 -0.171 0.000 1.381 601 I HN 0.598 nan 8.210 nan 0.000 0.571 602 c N 3.745 121.576 118.600 -1.281 0.000 5.467 602 c HA -0.124 4.442 4.570 -0.006 0.000 0.269 602 c C 0.843 174.583 174.090 -0.583 0.000 1.868 602 c CA 0.261 56.257 56.329 -0.556 0.000 1.676 602 c CB -2.533 39.875 42.510 -0.171 0.000 2.513 602 c HN 1.517 nan 8.230 nan 0.000 0.533 603 G N -1.091 107.176 108.800 -0.889 0.000 3.225 603 G HA2 0.135 4.092 3.960 -0.006 0.000 0.686 603 G HA3 0.135 4.092 3.960 -0.006 0.000 0.686 603 G C -0.370 174.450 174.900 -0.134 0.000 1.105 603 G CA 0.053 44.913 45.100 -0.400 0.000 0.831 603 G HN 1.161 nan 8.290 nan 0.000 0.578 604 F N 3.260 123.138 119.950 -0.120 0.000 2.025 604 F HA 0.313 4.836 4.527 -0.006 0.000 0.291 604 F C 1.722 177.466 175.800 -0.093 0.000 1.150 604 F CA 1.663 59.626 58.000 -0.063 0.000 1.166 604 F CB -0.361 38.705 39.000 0.109 0.000 0.995 604 F HN 0.525 nan 8.300 nan 0.000 0.474 605 V N 2.082 121.876 119.914 -0.200 0.000 2.673 605 V HA 0.376 4.493 4.120 -0.006 0.000 0.303 605 V C 0.353 176.101 176.094 -0.577 0.000 1.046 605 V CA -0.244 61.815 62.300 -0.403 0.000 1.126 605 V CB -0.598 31.210 31.823 -0.024 0.000 0.934 605 V HN 0.880 nan 8.190 nan 0.000 0.487 606 A N 3.439 125.483 122.820 -1.293 0.000 2.437 606 A HA -0.099 4.218 4.320 -0.006 0.000 0.686 606 A C -0.036 177.099 177.584 -0.748 0.000 0.140 606 A CA 0.207 51.618 52.037 -1.042 0.000 0.026 606 A CB -0.736 18.059 19.000 -0.341 0.000 3.974 606 A HN 1.009 nan 8.150 nan 0.000 0.548 607 E N 0.494 120.515 120.200 -0.298 0.000 2.324 607 E HA 0.393 4.740 4.350 -0.006 0.000 0.271 607 E C 0.720 177.305 176.600 -0.024 0.000 1.028 607 E CA 0.589 56.952 56.400 -0.062 0.000 0.890 607 E CB 0.645 30.386 29.700 0.067 0.000 1.004 607 E HN 0.813 nan 8.360 nan 0.000 0.431 608 T N 2.375 116.940 114.554 0.018 0.000 2.788 608 T HA 0.174 4.521 4.350 -0.006 0.000 0.287 608 T C -0.021 174.774 174.700 0.158 0.000 1.007 608 T CA -0.164 61.982 62.100 0.076 0.000 1.005 608 T CB 0.719 69.640 68.868 0.089 0.000 1.012 608 T HN 0.658 nan 8.240 nan 0.000 0.530 609 T N 0.041 114.688 114.554 0.154 0.000 2.950 609 T HA 0.432 4.778 4.350 -0.006 0.000 0.288 609 T C 1.108 175.916 174.700 0.180 0.000 1.035 609 T CA -0.841 61.381 62.100 0.203 0.000 1.028 609 T CB 1.526 70.516 68.868 0.203 0.000 1.109 609 T HN 0.596 nan 8.240 nan 0.000 0.514 610 E N 0.480 120.804 120.200 0.208 0.000 2.077 610 E HA -0.231 4.115 4.350 -0.006 0.000 0.193 610 E C 1.649 178.229 176.600 -0.033 0.000 0.989 610 E CA 1.644 58.059 56.400 0.026 0.000 0.800 610 E CB -0.135 29.646 29.700 0.135 0.000 0.746 610 E HN 0.896 nan 8.360 nan 0.000 0.452 611 E N 0.053 120.317 120.200 0.106 0.000 2.051 611 E HA -0.199 4.148 4.350 -0.006 0.000 0.192 611 E C 2.411 179.104 176.600 0.155 0.000 0.991 611 E CA 1.105 57.617 56.400 0.186 0.000 0.799 611 E CB -0.146 29.744 29.700 0.317 0.000 0.748 611 E HN 0.203 nan 8.360 nan 0.000 0.449 612 L N 0.827 122.089 121.223 0.064 0.000 2.017 612 L HA -0.158 4.178 4.340 -0.006 0.000 0.208 612 L C 2.524 179.263 176.870 -0.217 0.000 1.073 612 L CA 1.854 56.427 54.840 -0.445 0.000 0.745 612 L CB -0.897 40.852 42.059 -0.516 0.000 0.894 612 L HN 0.339 nan 8.230 nan 0.000 0.432 613 c N -0.081 118.451 118.600 -0.112 0.000 2.440 613 c HA -0.122 4.445 4.570 -0.006 0.000 0.278 613 c C 3.083 177.093 174.090 -0.135 0.000 1.295 613 c CA 1.013 57.276 56.329 -0.109 0.000 1.738 613 c CB -0.901 41.475 42.510 -0.222 0.000 1.987 613 c HN 0.704 nan 8.230 nan 0.000 0.492 614 R N 0.110 120.505 120.500 -0.175 0.000 2.073 614 R HA -0.098 4.239 4.340 -0.006 0.000 0.234 614 R C 2.462 178.739 176.300 -0.038 0.000 1.134 614 R CA 1.474 57.506 56.100 -0.113 0.000 0.952 614 R CB -0.319 29.929 30.300 -0.086 0.000 0.850 614 R HN 0.365 nan 8.270 nan 0.000 0.433 615 R N 0.050 120.534 120.500 -0.027 0.000 2.091 615 R HA -0.185 4.152 4.340 -0.006 0.000 0.238 615 R C 1.945 178.228 176.300 -0.027 0.000 1.136 615 R CA 1.189 57.273 56.100 -0.027 0.000 0.959 615 R CB -1.087 29.215 30.300 0.004 0.000 0.856 615 R HN 0.476 nan 8.270 nan 0.000 0.437 616 W N 0.785 121.956 121.300 -0.216 0.000 2.402 616 W HA -0.035 4.621 4.660 -0.006 0.000 0.286 616 W C 1.782 178.210 176.519 -0.152 0.000 1.221 616 W CA 0.706 57.943 57.345 -0.180 0.000 1.257 616 W CB -0.159 29.196 29.460 -0.175 0.000 1.120 616 W HN 0.015 nan 8.180 nan 0.000 0.551 617 M N 0.217 119.879 119.600 0.104 0.000 2.117 617 M HA -0.207 4.270 4.480 -0.006 0.000 0.262 617 M C 1.954 178.236 176.300 -0.031 0.000 1.065 617 M CA 1.592 56.889 55.300 -0.005 0.000 1.114 617 M CB -1.475 31.089 32.600 -0.060 0.000 1.361 617 M HN 0.111 nan 8.290 nan 0.000 0.408 618 Q N -0.056 119.729 119.800 -0.025 0.000 2.030 618 Q HA -0.228 4.109 4.340 -0.006 0.000 0.204 618 Q C 2.083 178.063 176.000 -0.033 0.000 0.986 618 Q CA 1.665 57.411 55.803 -0.096 0.000 0.843 618 Q CB -0.492 28.119 28.738 -0.211 0.000 0.904 618 Q HN 0.375 nan 8.270 nan 0.000 0.420 619 L N 0.296 121.501 121.223 -0.031 0.000 2.017 619 L HA -0.034 4.303 4.340 -0.006 0.000 0.208 619 L C 2.070 178.867 176.870 -0.122 0.000 1.073 619 L CA 2.400 57.237 54.840 -0.005 0.000 0.745 619 L CB -1.039 40.985 42.059 -0.059 0.000 0.894 619 L HN 0.191 nan 8.230 nan 0.000 0.432 620 G N -1.100 107.553 108.800 -0.245 0.000 2.470 620 G HA2 -0.180 3.776 3.960 -0.006 0.000 0.220 620 G HA3 -0.180 3.776 3.960 -0.006 0.000 0.220 620 G C 1.540 176.333 174.900 -0.179 0.000 1.121 620 G CA 0.612 45.423 45.100 -0.482 0.000 0.766 620 G HN 0.675 nan 8.290 nan 0.000 0.553 621 A N -0.019 122.691 122.820 -0.184 0.000 2.125 621 A HA 0.249 4.565 4.320 -0.006 0.000 0.219 621 A C 1.527 178.776 177.584 -0.558 0.000 1.156 621 A CA 0.703 52.510 52.037 -0.383 0.000 0.671 621 A CB -0.327 18.345 19.000 -0.547 0.000 0.794 621 A HN 0.346 nan 8.150 nan 0.000 0.459 622 F N -2.580 117.455 119.950 0.142 0.000 2.661 622 F HA 0.306 4.830 4.527 -0.006 0.000 0.306 622 F C -0.225 176.055 175.800 0.800 0.000 1.094 622 F CA -1.046 57.180 58.000 0.377 0.000 1.254 622 F CB 0.047 39.019 39.000 -0.047 0.000 1.040 622 F HN 0.030 nan 8.300 nan 0.000 0.562 623 Y N 2.079 122.723 120.300 0.573 0.000 2.511 623 Y HA 0.146 4.693 4.550 -0.006 0.000 0.332 623 Y C -1.227 174.924 175.900 0.418 0.000 1.177 623 Y CA -3.188 55.171 58.100 0.430 0.000 1.422 623 Y CB -0.128 38.495 38.460 0.271 0.000 1.271 623 Y HN -0.097 nan 8.280 nan 0.000 0.550 624 P HA -0.194 nan 4.420 nan 0.000 0.216 624 P C -0.105 177.423 177.300 0.380 0.000 1.153 624 P CA 1.462 64.769 63.100 0.347 0.000 0.858 624 P CB 0.141 32.019 31.700 0.296 0.000 0.789 625 F N 0.003 120.084 119.950 0.218 0.000 2.388 625 F HA 0.529 5.052 4.527 -0.006 0.000 0.358 625 F C -0.208 175.725 175.800 0.221 0.000 1.122 625 F CA -1.228 56.855 58.000 0.138 0.000 1.056 625 F CB 0.813 39.862 39.000 0.081 0.000 1.155 625 F HN -0.334 nan 8.300 nan 0.000 0.461 626 S N 7.723 123.224 115.700 -0.332 0.000 2.594 626 S HA 0.577 5.044 4.470 -0.006 0.000 0.322 626 S C -0.823 173.517 174.600 -0.433 0.000 1.085 626 S CA -0.606 57.537 58.200 -0.095 0.000 1.116 626 S CB 0.150 63.484 63.200 0.223 0.000 0.979 626 S HN 0.869 nan 8.310 nan 0.000 0.465 627 R N 4.071 124.282 120.500 -0.481 0.000 2.533 627 R HA 0.318 4.655 4.340 -0.006 0.000 0.288 627 R C -1.525 174.612 176.300 -0.271 0.000 1.039 627 R CA -0.624 55.106 56.100 -0.616 0.000 0.909 627 R CB 0.882 30.680 30.300 -0.836 0.000 1.195 627 R HN 0.586 nan 8.270 nan 0.000 0.438 628 N N 3.013 121.556 118.700 -0.261 0.000 2.414 628 N HA 0.106 4.843 4.740 -0.006 0.000 0.256 628 N C -1.604 173.898 175.510 -0.013 0.000 1.029 628 N CA 0.105 53.130 53.050 -0.042 0.000 0.948 628 N CB 0.855 39.440 38.487 0.164 0.000 1.102 628 N HN 0.658 nan 8.380 nan 0.000 0.496 629 H N 2.303 121.316 119.070 -0.094 0.000 2.806 629 H HA 0.520 5.072 4.556 -0.006 0.000 0.367 629 H C -1.434 173.961 175.328 0.111 0.000 1.136 629 H CA -0.715 55.329 56.048 -0.007 0.000 1.178 629 H CB 1.089 30.807 29.762 -0.073 0.000 1.718 629 H HN 0.538 nan 8.280 nan 0.000 0.540 630 N N 1.850 120.315 118.700 -0.391 0.000 2.242 630 N HA 0.299 5.036 4.740 -0.006 0.000 0.292 630 N C -1.040 174.267 175.510 -0.338 0.000 1.125 630 N CA -0.459 52.426 53.050 -0.275 0.000 0.783 630 N CB 2.486 40.856 38.487 -0.194 0.000 1.558 630 N HN 0.555 nan 8.380 nan 0.000 0.472 631 S N 0.489 115.858 115.700 -0.552 0.000 2.634 631 S HA 0.122 4.589 4.470 -0.006 0.000 0.261 631 S C -0.408 174.060 174.600 -0.220 0.000 1.271 631 S CA -0.335 57.508 58.200 -0.595 0.000 0.985 631 S CB 0.271 62.855 63.200 -1.028 0.000 0.968 631 S HN 0.584 nan 8.310 nan 0.000 0.568 632 D N 0.169 120.310 120.400 -0.432 0.000 2.417 632 D HA 0.376 5.013 4.640 -0.006 0.000 0.250 632 D C 1.176 177.069 176.300 -0.678 0.000 1.166 632 D CA 1.639 55.143 54.000 -0.827 0.000 0.881 632 D CB 0.120 39.841 40.800 -1.798 0.000 1.164 632 D HN 0.806 nan 8.370 nan 0.000 0.467 633 G N 2.616 111.060 108.800 -0.594 0.000 2.225 633 G HA2 -0.291 3.666 3.960 -0.006 0.000 0.254 633 G HA3 -0.291 3.666 3.960 -0.006 0.000 0.254 633 G C 0.095 174.601 174.900 -0.657 0.000 0.988 633 G CA 0.452 45.180 45.100 -0.621 0.000 0.625 633 G HN 0.513 nan 8.290 nan 0.000 0.527 634 Y N 0.903 121.004 120.300 -0.332 0.000 2.316 634 Y HA 0.608 5.154 4.550 -0.006 0.000 0.324 634 Y C 0.902 176.589 175.900 -0.354 0.000 1.267 634 Y CA -0.580 57.349 58.100 -0.285 0.000 1.311 634 Y CB 0.535 38.844 38.460 -0.252 0.000 1.267 634 Y HN 0.188 nan 8.280 nan 0.000 0.516 635 E N 0.838 120.947 120.200 -0.152 0.000 2.437 635 E HA -0.041 4.306 4.350 -0.006 0.000 0.263 635 E C -1.003 175.307 176.600 -0.483 0.000 1.030 635 E CA 0.094 56.291 56.400 -0.338 0.000 0.934 635 E CB 0.117 29.695 29.700 -0.204 0.000 0.943 635 E HN 0.522 nan 8.360 nan 0.000 0.444 636 H N 1.694 120.334 119.070 -0.718 0.000 3.038 636 H HA -0.013 4.539 4.556 -0.005 0.000 0.338 636 H C 0.374 175.282 175.328 -0.701 0.000 1.041 636 H CA 1.327 56.911 56.048 -0.773 0.000 1.394 636 H CB 0.504 29.659 29.762 -1.011 0.000 1.357 636 H HN 0.464 nan 8.280 nan 0.000 0.600 637 Q N 1.903 121.630 119.800 -0.122 0.000 2.055 637 Q HA 0.090 4.427 4.340 -0.006 0.000 0.226 637 Q C -0.852 175.335 176.000 0.311 0.000 0.805 637 Q CA -0.547 55.351 55.803 0.159 0.000 1.072 637 Q CB 0.465 29.300 28.738 0.162 0.000 1.219 637 Q HN 0.705 nan 8.270 nan 0.000 0.451 638 D N 0.849 121.372 120.400 0.206 0.000 2.382 638 D HA 0.053 4.689 4.640 -0.006 0.000 0.240 638 D C -1.790 174.719 176.300 0.349 0.000 1.146 638 D CA -1.234 52.898 54.000 0.220 0.000 0.897 638 D CB 1.542 42.416 40.800 0.124 0.000 1.197 638 D HN -0.157 nan 8.370 nan 0.000 0.432 639 P HA -0.162 nan 4.420 nan 0.000 0.215 639 P C 1.359 178.852 177.300 0.321 0.000 1.157 639 P CA 2.197 65.466 63.100 0.282 0.000 0.874 639 P CB -0.070 31.688 31.700 0.097 0.000 0.790 640 A N -1.496 121.437 122.820 0.187 0.000 2.125 640 A HA -0.173 4.144 4.320 -0.006 0.000 0.219 640 A C 1.993 179.657 177.584 0.133 0.000 1.156 640 A CA 0.907 53.025 52.037 0.133 0.000 0.671 640 A CB -1.882 17.160 19.000 0.070 0.000 0.794 640 A HN 0.161 nan 8.150 nan 0.000 0.459 641 F N -0.197 119.765 119.950 0.021 0.000 2.250 641 F HA -0.149 4.375 4.527 -0.005 0.000 0.301 641 F C 1.383 177.062 175.800 -0.203 0.000 1.077 641 F CA 1.304 59.226 58.000 -0.130 0.000 1.348 641 F CB -0.307 38.555 39.000 -0.230 0.000 1.040 641 F HN 0.238 nan 8.300 nan 0.000 0.509 642 F N 0.961 120.910 119.950 -0.003 0.000 2.802 642 F HA 0.288 4.811 4.527 -0.006 0.000 0.300 642 F C 1.170 176.898 175.800 -0.120 0.000 1.168 642 F CA 0.784 58.739 58.000 -0.076 0.000 1.433 642 F CB -0.605 38.424 39.000 0.049 0.000 1.115 642 F HN 0.068 nan 8.300 nan 0.000 0.582 643 G N 0.273 109.071 108.800 -0.003 0.000 3.187 643 G HA2 -0.118 3.839 3.960 -0.006 0.000 0.682 643 G HA3 -0.118 3.839 3.960 -0.006 0.000 0.682 643 G C 0.135 175.047 174.900 0.019 0.000 1.266 643 G CA -0.852 44.232 45.100 -0.026 0.000 0.902 643 G HN -0.101 nan 8.290 nan 0.000 0.589 644 Q N 1.126 120.927 119.800 0.001 0.000 2.173 644 Q HA -0.160 4.177 4.340 -0.006 0.000 0.208 644 Q C 1.937 177.946 176.000 0.014 0.000 0.989 644 Q CA 2.135 57.945 55.803 0.011 0.000 0.872 644 Q CB -0.039 28.701 28.738 0.003 0.000 0.909 644 Q HN 0.789 nan 8.270 nan 0.000 0.420 645 N N 0.410 119.116 118.700 0.009 0.000 2.235 645 N HA 0.014 4.751 4.740 -0.006 0.000 0.209 645 N C -0.146 175.375 175.510 0.018 0.000 1.122 645 N CA -0.101 52.955 53.050 0.010 0.000 0.845 645 N CB 0.517 39.007 38.487 0.005 0.000 1.004 645 N HN 0.101 nan 8.380 nan 0.000 0.499 646 S N 0.179 115.897 115.700 0.031 0.000 2.584 646 S HA 0.026 4.492 4.470 -0.006 0.000 0.270 646 S C 1.160 175.778 174.600 0.030 0.000 1.346 646 S CA -0.657 57.569 58.200 0.043 0.000 1.018 646 S CB 0.956 64.208 63.200 0.086 0.000 0.899 646 S HN 0.127 nan 8.310 nan 0.000 0.542 647 L N 1.608 122.847 121.223 0.027 0.000 2.201 647 L HA 0.095 4.432 4.340 -0.006 0.000 0.212 647 L C 2.030 178.902 176.870 0.004 0.000 1.105 647 L CA 1.392 56.241 54.840 0.016 0.000 0.775 647 L CB -0.904 41.167 42.059 0.020 0.000 0.913 647 L HN 0.903 nan 8.230 nan 0.000 0.440 648 L N -1.862 119.355 121.223 -0.011 0.000 2.027 648 L HA -0.162 4.175 4.340 -0.006 0.000 0.206 648 L C 2.332 179.186 176.870 -0.028 0.000 1.074 648 L CA 1.279 56.081 54.840 -0.063 0.000 0.745 648 L CB -0.209 41.728 42.059 -0.202 0.000 0.898 648 L HN 0.074 nan 8.230 nan 0.000 0.433 649 V N 0.266 120.189 119.914 0.015 0.000 2.343 649 V HA -0.336 3.781 4.120 -0.006 0.000 0.247 649 V C 2.590 178.680 176.094 -0.007 0.000 1.051 649 V CA 2.258 64.569 62.300 0.019 0.000 1.036 649 V CB -0.560 31.288 31.823 0.041 0.000 0.654 649 V HN 0.496 nan 8.190 nan 0.000 0.451 650 K N -0.212 120.185 120.400 -0.006 0.000 2.026 650 K HA -0.209 4.107 4.320 -0.006 0.000 0.208 650 K C 2.497 179.075 176.600 -0.036 0.000 1.048 650 K CA 1.894 58.169 56.287 -0.021 0.000 0.929 650 K CB -0.359 32.133 32.500 -0.014 0.000 0.713 650 K HN 0.409 nan 8.250 nan 0.000 0.439 651 S N -0.089 115.607 115.700 -0.006 0.000 2.356 651 S HA -0.120 4.346 4.470 -0.006 0.000 0.223 651 S C 1.948 176.585 174.600 0.061 0.000 1.032 651 S CA 1.903 60.130 58.200 0.044 0.000 1.005 651 S CB -0.338 62.923 63.200 0.101 0.000 0.867 651 S HN 0.429 nan 8.310 nan 0.000 0.449 652 S N 1.277 116.983 115.700 0.010 0.000 2.356 652 S HA -0.090 4.377 4.470 -0.006 0.000 0.223 652 S C 1.949 176.498 174.600 -0.085 0.000 1.032 652 S CA 1.336 59.510 58.200 -0.042 0.000 1.005 652 S CB -0.510 62.633 63.200 -0.096 0.000 0.867 652 S HN 0.594 nan 8.310 nan 0.000 0.449 653 R N 1.216 121.669 120.500 -0.079 0.000 2.091 653 R HA -0.170 4.167 4.340 -0.006 0.000 0.238 653 R C 2.545 178.781 176.300 -0.107 0.000 1.136 653 R CA 1.734 57.781 56.100 -0.088 0.000 0.959 653 R CB -0.293 29.972 30.300 -0.059 0.000 0.856 653 R HN 0.545 nan 8.270 nan 0.000 0.437 654 Q N -0.727 118.984 119.800 -0.149 0.000 2.046 654 Q HA -0.204 4.133 4.340 -0.006 0.000 0.200 654 Q C 1.537 177.355 176.000 -0.303 0.000 0.975 654 Q CA 1.729 57.377 55.803 -0.257 0.000 0.836 654 Q CB -0.153 28.341 28.738 -0.406 0.000 0.896 654 Q HN 0.532 nan 8.270 nan 0.000 0.428 655 Y N 0.121 120.405 120.300 -0.027 0.000 2.337 655 Y HA -0.070 4.477 4.550 -0.005 0.000 0.293 655 Y C 2.060 177.872 175.900 -0.148 0.000 1.123 655 Y CA 0.553 58.635 58.100 -0.030 0.000 1.201 655 Y CB 0.211 38.684 38.460 0.021 0.000 1.011 655 Y HN 0.105 nan 8.280 nan 0.000 0.545 656 L N -0.836 120.360 121.223 -0.045 0.000 2.141 656 L HA -0.193 4.144 4.340 -0.006 0.000 0.209 656 L C 2.176 179.087 176.870 0.067 0.000 1.094 656 L CA 1.340 56.152 54.840 -0.047 0.000 0.763 656 L CB -0.606 41.354 42.059 -0.166 0.000 0.908 656 L HN 0.221 nan 8.230 nan 0.000 0.437 657 T N 0.017 114.572 114.554 0.001 0.000 2.821 657 T HA -0.109 4.238 4.350 -0.006 0.000 0.267 657 T C 1.900 176.684 174.700 0.139 0.000 1.046 657 T CA 1.125 63.256 62.100 0.052 0.000 1.139 657 T CB -0.130 68.735 68.868 -0.004 0.000 0.871 657 T HN 0.169 nan 8.240 nan 0.000 0.454 658 I N 0.951 121.582 120.570 0.101 0.000 2.127 658 I HA -0.227 3.939 4.170 -0.006 0.000 0.241 658 I C 2.814 179.021 176.117 0.149 0.000 1.075 658 I CA 1.438 62.821 61.300 0.139 0.000 1.334 658 I CB -0.401 37.675 38.000 0.127 0.000 1.040 658 I HN 0.145 nan 8.210 nan 0.000 0.405 659 R N 0.429 120.955 120.500 0.044 0.000 2.115 659 R HA -0.274 4.063 4.340 -0.006 0.000 0.239 659 R C 2.501 178.969 176.300 0.281 0.000 1.133 659 R CA 2.299 58.452 56.100 0.089 0.000 0.935 659 R CB -0.646 29.637 30.300 -0.028 0.000 0.853 659 R HN 0.240 nan 8.270 nan 0.000 0.433 660 Y N 0.830 121.216 120.300 0.144 0.000 2.207 660 Y HA -0.179 4.368 4.550 -0.006 0.000 0.287 660 Y C 2.682 178.728 175.900 0.242 0.000 1.156 660 Y CA 2.010 60.224 58.100 0.190 0.000 1.182 660 Y CB -0.569 37.983 38.460 0.153 0.000 0.979 660 Y HN 0.192 nan 8.280 nan 0.000 0.521 661 T N 0.065 114.839 114.554 0.367 0.000 2.788 661 T HA -0.158 4.189 4.350 -0.006 0.000 0.268 661 T C 1.734 176.657 174.700 0.372 0.000 1.044 661 T CA 1.295 63.590 62.100 0.325 0.000 1.139 661 T CB -0.430 68.612 68.868 0.290 0.000 0.867 661 T HN 0.238 nan 8.240 nan 0.000 0.454 662 L N 0.525 122.002 121.223 0.423 0.000 2.591 662 L HA 0.256 4.592 4.340 -0.006 0.000 0.228 662 L C 1.935 179.175 176.870 0.616 0.000 1.133 662 L CA -0.016 55.169 54.840 0.575 0.000 0.880 662 L CB -0.372 42.097 42.059 0.683 0.000 1.033 662 L HN 0.235 nan 8.230 nan 0.000 0.450 663 L N 0.419 121.906 121.223 0.440 0.000 2.079 663 L HA -0.162 4.175 4.340 -0.006 0.000 0.210 663 L C -0.211 176.934 176.870 0.458 0.000 1.081 663 L CA 1.457 56.466 54.840 0.280 0.000 0.752 663 L CB -1.530 40.527 42.059 -0.004 0.000 0.896 663 L HN 0.269 nan 8.230 nan 0.000 0.433 664 P HA -0.220 nan 4.420 nan 0.000 0.216 664 P C 1.461 179.289 177.300 0.879 0.000 1.150 664 P CA 1.313 64.975 63.100 0.937 0.000 0.837 664 P CB -0.040 32.159 31.700 0.831 0.000 0.786 665 F N 0.455 120.754 119.950 0.582 0.000 2.084 665 F HA -0.109 4.414 4.527 -0.006 0.000 0.296 665 F C 1.959 178.016 175.800 0.429 0.000 1.111 665 F CA 1.031 59.346 58.000 0.524 0.000 1.224 665 F CB -1.264 38.035 39.000 0.498 0.000 0.991 665 F HN -0.250 nan 8.300 nan 0.000 0.471 666 L N -0.155 121.115 121.223 0.079 0.000 2.013 666 L HA -0.253 4.083 4.340 -0.006 0.000 0.212 666 L C 2.277 179.214 176.870 0.111 0.000 1.073 666 L CA 2.047 56.730 54.840 -0.261 0.000 0.753 666 L CB -1.540 40.293 42.059 -0.376 0.000 0.890 666 L HN 0.348 nan 8.230 nan 0.000 0.432 667 Y N 0.059 120.455 120.300 0.161 0.000 2.224 667 Y HA -0.248 4.298 4.550 -0.006 0.000 0.289 667 Y C 2.476 178.587 175.900 0.352 0.000 1.146 667 Y CA 2.193 60.451 58.100 0.263 0.000 1.182 667 Y CB -0.691 37.962 38.460 0.322 0.000 0.983 667 Y HN 0.239 nan 8.280 nan 0.000 0.524 668 T N 0.871 115.697 114.554 0.453 0.000 2.833 668 T HA -0.167 4.179 4.350 -0.006 0.000 0.269 668 T C 2.057 176.889 174.700 0.220 0.000 1.054 668 T CA 1.549 63.890 62.100 0.401 0.000 1.135 668 T CB -0.433 68.790 68.868 0.590 0.000 0.869 668 T HN 0.293 nan 8.240 nan 0.000 0.466 669 L N -0.477 120.757 121.223 0.019 0.000 2.056 669 L HA -0.013 4.324 4.340 -0.006 0.000 0.207 669 L C 2.226 178.952 176.870 -0.240 0.000 1.078 669 L CA 1.291 56.026 54.840 -0.176 0.000 0.749 669 L CB -0.546 41.233 42.059 -0.466 0.000 0.901 669 L HN 0.206 nan 8.230 nan 0.000 0.433 670 F N -1.033 118.807 119.950 -0.182 0.000 2.186 670 F HA -0.252 4.272 4.527 -0.006 0.000 0.299 670 F C 2.542 178.168 175.800 -0.290 0.000 1.090 670 F CA 1.444 59.306 58.000 -0.230 0.000 1.307 670 F CB -0.696 38.147 39.000 -0.260 0.000 1.019 670 F HN 0.025 nan 8.300 nan 0.000 0.489 671 Y N 1.209 121.312 120.300 -0.329 0.000 2.165 671 Y HA -0.254 4.293 4.550 -0.005 0.000 0.286 671 Y C 2.123 177.841 175.900 -0.303 0.000 1.155 671 Y CA 1.823 59.580 58.100 -0.573 0.000 1.164 671 Y CB -0.497 37.369 38.460 -0.990 0.000 0.978 671 Y HN -0.062 nan 8.280 nan 0.000 0.513 672 K N -0.060 120.183 120.400 -0.261 0.000 2.155 672 K HA -0.013 4.303 4.320 -0.006 0.000 0.203 672 K C 2.336 178.854 176.600 -0.135 0.000 1.052 672 K CA 0.744 56.947 56.287 -0.141 0.000 0.948 672 K CB -0.230 32.345 32.500 0.125 0.000 0.728 672 K HN 0.426 nan 8.250 nan 0.000 0.448 673 A N 0.870 123.588 122.820 -0.170 0.000 1.873 673 A HA -0.222 4.094 4.320 -0.006 0.000 0.215 673 A C 1.957 179.431 177.584 -0.183 0.000 1.186 673 A CA 1.793 53.738 52.037 -0.152 0.000 0.616 673 A CB -0.725 18.170 19.000 -0.176 0.000 0.823 673 A HN 0.386 nan 8.150 nan 0.000 0.442 674 H N -0.694 118.182 119.070 -0.324 0.000 2.389 674 H HA -0.018 4.535 4.556 -0.006 0.000 0.299 674 H C 1.603 176.659 175.328 -0.453 0.000 1.081 674 H CA 2.035 57.872 56.048 -0.352 0.000 1.345 674 H CB 0.041 29.584 29.762 -0.365 0.000 1.393 674 H HN 0.150 nan 8.280 nan 0.000 0.520 675 V N -1.037 118.431 119.914 -0.744 0.000 2.685 675 V HA 0.008 4.124 4.120 -0.006 0.000 0.244 675 V C 1.149 176.698 176.094 -0.910 0.000 1.054 675 V CA 1.317 63.012 62.300 -1.008 0.000 1.076 675 V CB -0.204 30.743 31.823 -1.459 0.000 0.725 675 V HN 0.353 nan 8.190 nan 0.000 0.467 676 F N -0.166 119.585 119.950 -0.333 0.000 2.728 676 F HA 0.527 5.050 4.527 -0.006 0.000 0.314 676 F C 1.787 177.481 175.800 -0.177 0.000 1.094 676 F CA 0.600 58.470 58.000 -0.218 0.000 1.217 676 F CB 0.634 39.533 39.000 -0.168 0.000 1.056 676 F HN 0.205 nan 8.300 nan 0.000 0.577 677 G N 1.016 109.779 108.800 -0.063 0.000 2.148 677 G HA2 -0.282 3.675 3.960 -0.006 0.000 0.254 677 G HA3 -0.282 3.675 3.960 -0.006 0.000 0.254 677 G C 0.060 174.949 174.900 -0.018 0.000 0.981 677 G CA -0.096 44.962 45.100 -0.070 0.000 0.670 677 G HN 0.390 nan 8.290 nan 0.000 0.528 678 E N 1.195 121.402 120.200 0.012 0.000 2.418 678 E HA 0.387 4.734 4.350 -0.006 0.000 0.261 678 E C 1.202 177.784 176.600 -0.031 0.000 1.070 678 E CA 0.614 57.024 56.400 0.016 0.000 0.931 678 E CB 0.419 30.139 29.700 0.034 0.000 0.954 678 E HN 0.468 nan 8.360 nan 0.000 0.439 679 T N -1.471 113.079 114.554 -0.006 0.000 2.882 679 T HA 0.222 4.569 4.350 -0.006 0.000 0.287 679 T C 0.854 175.466 174.700 -0.146 0.000 1.014 679 T CA -0.970 61.093 62.100 -0.063 0.000 1.049 679 T CB 1.286 70.136 68.868 -0.030 0.000 1.001 679 T HN 0.176 nan 8.240 nan 0.000 0.525 680 V N 0.917 120.681 119.914 -0.250 0.000 2.543 680 V HA 0.377 4.493 4.120 -0.006 0.000 0.232 680 V C 1.688 177.670 176.094 -0.187 0.000 1.087 680 V CA 0.760 62.824 62.300 -0.393 0.000 1.113 680 V CB -0.890 30.448 31.823 -0.808 0.000 0.779 680 V HN 1.143 nan 8.190 nan 0.000 0.495 681 A N 1.520 124.288 122.820 -0.087 0.000 2.404 681 A HA 0.523 4.839 4.320 -0.006 0.000 0.273 681 A C 0.187 177.805 177.584 0.056 0.000 1.144 681 A CA 0.169 52.300 52.037 0.156 0.000 0.806 681 A CB -0.178 18.898 19.000 0.128 0.000 1.080 681 A HN 0.459 nan 8.150 nan 0.000 0.509 682 R N 3.438 124.022 120.500 0.140 0.000 2.534 682 R HA 0.528 4.865 4.340 -0.006 0.000 0.301 682 R C -3.057 173.222 176.300 -0.035 0.000 0.961 682 R CA -2.009 54.074 56.100 -0.028 0.000 0.871 682 R CB 1.847 32.180 30.300 0.056 0.000 1.170 682 R HN 0.386 nan 8.270 nan 0.000 0.446 683 P HA -0.027 nan 4.420 nan 0.000 0.269 683 P C 0.592 177.948 177.300 0.094 0.000 1.209 683 P CA -0.295 62.695 63.100 -0.182 0.000 0.776 683 P CB 0.845 32.365 31.700 -0.300 0.000 0.876 684 V N 2.700 122.737 119.914 0.205 0.000 2.469 684 V HA -0.235 3.882 4.120 -0.006 0.000 0.251 684 V C 2.242 178.605 176.094 0.448 0.000 1.064 684 V CA 1.845 64.368 62.300 0.372 0.000 1.066 684 V CB -1.196 30.825 31.823 0.330 0.000 0.667 684 V HN 0.557 nan 8.190 nan 0.000 0.461 685 L N -0.114 121.342 121.223 0.388 0.000 2.129 685 L HA -0.239 4.097 4.340 -0.006 0.000 0.212 685 L C 2.303 179.449 176.870 0.459 0.000 1.087 685 L CA 2.094 57.189 54.840 0.424 0.000 0.757 685 L CB -0.991 41.245 42.059 0.295 0.000 0.896 685 L HN 0.451 nan 8.230 nan 0.000 0.434 686 H N -1.176 118.018 119.070 0.206 0.000 2.491 686 H HA -0.030 4.522 4.556 -0.006 0.000 0.290 686 H C 1.354 176.804 175.328 0.202 0.000 1.050 686 H CA 1.066 57.230 56.048 0.193 0.000 1.309 686 H CB 0.503 30.332 29.762 0.113 0.000 1.392 686 H HN 0.492 nan 8.280 nan 0.000 0.554 687 E N -0.007 120.288 120.200 0.160 0.000 2.372 687 E HA 0.028 4.375 4.350 -0.006 0.000 0.201 687 E C 0.171 176.368 176.600 -0.673 0.000 0.938 687 E CA 0.299 56.514 56.400 -0.309 0.000 0.944 687 E CB 0.422 29.790 29.700 -0.554 0.000 0.937 687 E HN 0.328 nan 8.360 nan 0.000 0.495 688 F N 0.697 120.697 119.950 0.083 0.000 2.850 688 F HA 0.125 4.648 4.527 -0.006 0.000 0.329 688 F C 0.975 176.810 175.800 0.059 0.000 1.182 688 F CA -0.841 57.168 58.000 0.015 0.000 1.270 688 F CB -0.388 38.712 39.000 0.167 0.000 0.979 688 F HN -0.030 nan 8.300 nan 0.000 0.506 689 Y N -0.745 119.765 120.300 0.350 0.000 2.384 689 Y HA -0.123 4.423 4.550 -0.006 0.000 0.289 689 Y C 1.542 177.735 175.900 0.489 0.000 1.152 689 Y CA 0.819 59.188 58.100 0.448 0.000 1.258 689 Y CB -1.159 37.439 38.460 0.231 0.000 0.979 689 Y HN 0.231 nan 8.280 nan 0.000 0.549 690 E N 0.130 120.422 120.200 0.153 0.000 2.409 690 E HA -0.130 4.216 4.350 -0.006 0.000 0.198 690 E C -0.042 176.618 176.600 0.100 0.000 1.024 690 E CA 0.798 57.308 56.400 0.183 0.000 0.861 690 E CB -0.019 29.714 29.700 0.054 0.000 0.788 690 E HN 0.386 nan 8.360 nan 0.000 0.521 691 D N 0.136 120.591 120.400 0.092 0.000 2.414 691 D HA 0.009 4.646 4.640 -0.006 0.000 0.232 691 D C 0.952 177.079 176.300 -0.288 0.000 1.070 691 D CA -0.192 53.788 54.000 -0.033 0.000 0.839 691 D CB 1.398 42.267 40.800 0.115 0.000 1.079 691 D HN -0.064 nan 8.370 nan 0.000 0.521 692 T N 1.209 115.379 114.554 -0.640 0.000 2.962 692 T HA -0.126 4.220 4.350 -0.006 0.000 0.270 692 T C 1.357 175.663 174.700 -0.656 0.000 1.088 692 T CA 0.599 61.941 62.100 -1.264 0.000 1.127 692 T CB -0.077 68.036 68.868 -1.258 0.000 0.883 692 T HN 0.288 nan 8.240 nan 0.000 0.493 693 N N 2.097 120.529 118.700 -0.446 0.000 2.272 693 N HA -0.107 4.630 4.740 -0.006 0.000 0.185 693 N C 2.149 177.498 175.510 -0.269 0.000 1.014 693 N CA 1.683 54.447 53.050 -0.476 0.000 0.870 693 N CB -0.342 37.530 38.487 -1.025 0.000 0.975 693 N HN 0.777 nan 8.380 nan 0.000 0.433 694 S N -0.752 114.920 115.700 -0.047 0.000 2.489 694 S HA -0.047 4.420 4.470 -0.006 0.000 0.228 694 S C 1.489 176.342 174.600 0.421 0.000 0.995 694 S CA 0.056 58.396 58.200 0.233 0.000 0.934 694 S CB -0.410 63.024 63.200 0.390 0.000 0.771 694 S HN 0.297 nan 8.310 nan 0.000 0.522 695 W N 2.701 124.053 121.300 0.087 0.000 2.465 695 W HA 0.231 4.888 4.660 -0.006 0.000 0.268 695 W C 1.925 178.648 176.519 0.340 0.000 1.242 695 W CA -0.049 57.398 57.345 0.169 0.000 1.248 695 W CB -0.658 28.737 29.460 -0.109 0.000 1.118 695 W HN 0.573 nan 8.180 nan 0.000 0.587 696 I N -2.400 118.436 120.570 0.443 0.000 4.082 696 I HA 0.260 4.426 4.170 -0.006 0.000 0.337 696 I C 0.389 176.684 176.117 0.298 0.000 1.352 696 I CA -0.231 61.290 61.300 0.369 0.000 1.097 696 I CB -0.159 37.997 38.000 0.260 0.000 1.048 696 I HN -0.376 nan 8.210 nan 0.000 0.393 697 E N 3.604 123.970 120.200 0.275 0.000 2.265 697 E HA 0.046 4.393 4.350 -0.006 0.000 0.272 697 E C -0.228 176.506 176.600 0.223 0.000 1.067 697 E CA 0.328 56.852 56.400 0.206 0.000 0.900 697 E CB 0.447 30.254 29.700 0.179 0.000 1.017 697 E HN 0.605 nan 8.360 nan 0.000 0.431 698 D N 0.822 121.332 120.400 0.183 0.000 2.567 698 D HA -0.038 4.598 4.640 -0.006 0.000 0.268 698 D C 0.461 176.843 176.300 0.136 0.000 1.448 698 D CA 0.294 54.386 54.000 0.152 0.000 0.811 698 D CB -0.417 40.515 40.800 0.221 0.000 1.192 698 D HN 0.335 nan 8.370 nan 0.000 0.488 699 T N -2.031 112.599 114.554 0.128 0.000 3.069 699 T HA 0.222 4.569 4.350 -0.006 0.000 0.252 699 T C 0.414 175.184 174.700 0.116 0.000 1.053 699 T CA -0.202 61.966 62.100 0.114 0.000 0.964 699 T CB 0.010 68.928 68.868 0.083 0.000 1.005 699 T HN 0.408 nan 8.240 nan 0.000 0.532 700 E N 0.598 120.880 120.200 0.136 0.000 2.429 700 E HA 0.679 5.026 4.350 -0.006 0.000 0.276 700 E C -1.125 175.629 176.600 0.258 0.000 0.953 700 E CA -1.428 55.050 56.400 0.130 0.000 0.787 700 E CB 1.734 31.423 29.700 -0.018 0.000 1.307 700 E HN 0.326 nan 8.360 nan 0.000 0.458 701 F N -1.159 118.796 119.950 0.008 0.000 2.745 701 F HA 0.676 5.200 4.527 -0.005 0.000 0.316 701 F C -2.042 173.813 175.800 0.092 0.000 1.155 701 F CA -1.410 56.615 58.000 0.043 0.000 0.937 701 F CB 1.091 40.120 39.000 0.048 0.000 1.361 701 F HN 0.341 nan 8.300 nan 0.000 0.472 702 L N 1.090 122.452 121.223 0.231 0.000 2.334 702 L HA 0.398 4.735 4.340 -0.006 0.000 0.273 702 L C -1.397 175.734 176.870 0.434 0.000 1.013 702 L CA -0.642 54.323 54.840 0.209 0.000 0.816 702 L CB 1.536 43.759 42.059 0.274 0.000 1.278 702 L HN 0.564 nan 8.230 nan 0.000 0.431 703 W N 2.710 124.096 121.300 0.143 0.000 2.342 703 W HA 0.508 5.164 4.660 -0.006 0.000 0.310 703 W C 0.946 177.594 176.519 0.215 0.000 1.128 703 W CA 0.071 57.533 57.345 0.195 0.000 1.322 703 W CB 0.202 29.831 29.460 0.282 0.000 1.251 703 W HN 0.796 nan 8.180 nan 0.000 0.439 704 G N 5.611 114.551 108.800 0.234 0.000 2.614 704 G HA2 -0.307 3.650 3.960 -0.006 0.000 0.303 704 G HA3 -0.307 3.650 3.960 -0.006 0.000 0.303 704 G C -1.570 173.454 174.900 0.206 0.000 1.270 704 G CA 0.451 45.660 45.100 0.183 0.000 0.988 704 G HN 0.352 nan 8.290 nan 0.000 0.551 705 P HA 0.398 nan 4.420 nan 0.000 0.261 705 P C 0.893 178.061 177.300 -0.220 0.000 1.268 705 P CA 1.840 64.894 63.100 -0.077 0.000 0.833 705 P CB 0.629 32.197 31.700 -0.219 0.000 1.231 706 A N -0.819 122.014 122.820 0.022 0.000 2.192 706 A HA 0.349 4.666 4.320 -0.006 0.000 0.208 706 A C 0.496 178.201 177.584 0.202 0.000 1.220 706 A CA 0.296 52.297 52.037 -0.059 0.000 0.900 706 A CB -0.088 18.867 19.000 -0.075 0.000 0.937 706 A HN 0.204 nan 8.150 nan 0.000 0.487 707 L N 0.243 121.664 121.223 0.330 0.000 2.376 707 L HA 0.715 5.051 4.340 -0.006 0.000 0.275 707 L C -1.361 175.591 176.870 0.137 0.000 0.987 707 L CA -0.767 54.227 54.840 0.257 0.000 0.828 707 L CB 1.825 44.020 42.059 0.226 0.000 1.249 707 L HN 0.132 nan 8.230 nan 0.000 0.409 708 L N 6.274 127.549 121.223 0.087 0.000 2.272 708 L HA 0.640 4.976 4.340 -0.006 0.000 0.289 708 L C -1.046 175.621 176.870 -0.339 0.000 1.032 708 L CA 0.109 54.866 54.840 -0.138 0.000 0.810 708 L CB 1.069 42.932 42.059 -0.327 0.000 1.205 708 L HN 0.590 nan 8.230 nan 0.000 0.422 709 I N 4.378 124.616 120.570 -0.553 0.000 2.339 709 I HA 0.406 4.573 4.170 -0.006 0.000 0.290 709 I C -0.222 175.628 176.117 -0.445 0.000 0.994 709 I CA 0.071 60.953 61.300 -0.696 0.000 1.191 709 I CB 1.740 39.054 38.000 -1.144 0.000 1.343 709 I HN 0.538 nan 8.210 nan 0.000 0.458 710 T N 7.296 121.666 114.554 -0.307 0.000 2.991 710 T HA 0.395 4.741 4.350 -0.006 0.000 0.347 710 T C -2.608 172.003 174.700 -0.148 0.000 1.122 710 T CA -1.256 60.739 62.100 -0.175 0.000 1.062 710 T CB 0.973 69.756 68.868 -0.143 0.000 1.043 710 T HN 0.270 nan 8.240 nan 0.000 0.491 711 P HA 0.413 nan 4.420 nan 0.000 0.282 711 P C -0.427 176.849 177.300 -0.040 0.000 1.259 711 P CA -0.582 62.473 63.100 -0.075 0.000 0.826 711 P CB 1.028 32.710 31.700 -0.029 0.000 1.064 712 V N 3.359 123.259 119.914 -0.024 0.000 2.488 712 V HA 0.098 4.215 4.120 -0.006 0.000 0.277 712 V C 1.353 177.519 176.094 0.119 0.000 1.046 712 V CA 0.387 62.706 62.300 0.032 0.000 0.986 712 V CB 0.166 32.015 31.823 0.043 0.000 0.989 712 V HN 0.465 nan 8.190 nan 0.000 0.475 713 L N 4.268 125.564 121.223 0.121 0.000 3.259 713 L HA 0.359 4.696 4.340 -0.006 0.000 0.292 713 L C 0.181 177.192 176.870 0.235 0.000 1.219 713 L CA 0.035 54.979 54.840 0.173 0.000 1.035 713 L CB 0.351 42.442 42.059 0.053 0.000 1.424 713 L HN 0.478 nan 8.230 nan 0.000 0.603 714 K N 1.328 121.742 120.400 0.024 0.000 2.397 714 K HA 0.300 4.616 4.320 -0.006 0.000 0.253 714 K C -0.626 175.465 176.600 -0.849 0.000 0.932 714 K CA -0.525 55.595 56.287 -0.278 0.000 0.795 714 K CB 2.392 34.785 32.500 -0.180 0.000 1.159 714 K HN -0.155 nan 8.250 nan 0.000 0.424 715 Q N 0.681 119.625 119.800 -1.427 0.000 2.274 715 Q HA 0.087 4.424 4.340 -0.006 0.000 0.280 715 Q C 0.617 176.179 176.000 -0.729 0.000 1.047 715 Q CA 1.717 56.492 55.803 -1.713 0.000 0.907 715 Q CB 0.346 28.221 28.738 -1.438 0.000 1.171 715 Q HN 0.911 nan 8.270 nan 0.000 0.381 716 G N 2.603 111.096 108.800 -0.511 0.000 2.175 716 G HA2 -0.265 3.691 3.960 -0.006 0.000 0.244 716 G HA3 -0.265 3.691 3.960 -0.006 0.000 0.244 716 G C 0.094 174.894 174.900 -0.167 0.000 0.982 716 G CA 0.132 45.089 45.100 -0.239 0.000 0.641 716 G HN 0.945 nan 8.290 nan 0.000 0.527 717 A N 0.519 123.219 122.820 -0.200 0.000 2.316 717 A HA 0.644 4.960 4.320 -0.006 0.000 0.284 717 A C 0.823 178.372 177.584 -0.058 0.000 1.115 717 A CA 0.651 52.621 52.037 -0.112 0.000 0.812 717 A CB 0.613 19.541 19.000 -0.121 0.000 1.064 717 A HN 0.785 nan 8.150 nan 0.000 0.489 718 D N -0.117 120.271 120.400 -0.019 0.000 2.527 718 D HA 0.175 4.812 4.640 -0.006 0.000 0.224 718 D C -0.297 176.010 176.300 0.011 0.000 1.217 718 D CA 0.130 54.117 54.000 -0.021 0.000 0.819 718 D CB 0.208 41.031 40.800 0.038 0.000 1.061 718 D HN 0.217 nan 8.370 nan 0.000 0.515 719 T N 0.126 114.694 114.554 0.024 0.000 2.952 719 T HA 0.507 4.853 4.350 -0.006 0.000 0.305 719 T C -1.446 173.248 174.700 -0.012 0.000 1.064 719 T CA -0.743 61.384 62.100 0.045 0.000 1.008 719 T CB 2.594 71.506 68.868 0.074 0.000 1.078 719 T HN -0.029 nan 8.240 nan 0.000 0.459 720 V N 2.716 122.611 119.914 -0.031 0.000 2.531 720 V HA 0.716 4.833 4.120 -0.006 0.000 0.301 720 V C -0.063 175.980 176.094 -0.085 0.000 1.034 720 V CA -0.557 61.711 62.300 -0.054 0.000 0.865 720 V CB 1.939 33.727 31.823 -0.057 0.000 0.995 720 V HN 0.932 nan 8.190 nan 0.000 0.424 721 S N 5.861 121.518 115.700 -0.072 0.000 2.465 721 S HA 0.691 5.158 4.470 -0.006 0.000 0.280 721 S C 0.001 174.543 174.600 -0.097 0.000 1.232 721 S CA 0.287 58.435 58.200 -0.086 0.000 1.066 721 S CB -0.135 63.035 63.200 -0.049 0.000 0.929 721 S HN 1.641 nan 8.310 nan 0.000 0.494 722 A N 5.067 127.788 122.820 -0.165 0.000 2.414 722 A HA 0.592 4.908 4.320 -0.006 0.000 0.306 722 A C -1.398 176.076 177.584 -0.182 0.000 1.054 722 A CA -0.639 51.293 52.037 -0.176 0.000 0.724 722 A CB 0.860 19.701 19.000 -0.266 0.000 1.267 722 A HN 0.861 nan 8.150 nan 0.000 0.418 723 Y N 3.334 123.501 120.300 -0.222 0.000 2.365 723 Y HA 0.485 5.032 4.550 -0.005 0.000 0.340 723 Y C -0.337 175.372 175.900 -0.318 0.000 1.016 723 Y CA -0.850 57.115 58.100 -0.226 0.000 1.196 723 Y CB 0.672 39.049 38.460 -0.138 0.000 1.167 723 Y HN 0.453 nan 8.280 nan 0.000 0.509 724 I N 9.659 129.647 120.570 -0.969 0.000 2.307 724 I HA 0.281 4.448 4.170 -0.006 0.000 0.289 724 I C -2.298 173.289 176.117 -0.883 0.000 1.021 724 I CA -2.904 57.888 61.300 -0.847 0.000 1.224 724 I CB 0.735 38.375 38.000 -0.600 0.000 1.376 724 I HN 0.482 nan 8.210 nan 0.000 0.470 725 P HA 0.028 nan 4.420 nan 0.000 0.274 725 P C -0.124 177.080 177.300 -0.159 0.000 1.260 725 P CA -0.298 62.521 63.100 -0.469 0.000 0.793 725 P CB 0.649 31.633 31.700 -1.193 0.000 1.048 726 D N -0.016 120.312 120.400 -0.121 0.000 2.541 726 D HA 0.373 5.010 4.640 -0.006 0.000 0.231 726 D C -0.597 175.777 176.300 0.124 0.000 1.163 726 D CA 0.463 54.499 54.000 0.059 0.000 1.077 726 D CB -1.221 39.657 40.800 0.129 0.000 1.110 726 D HN 0.343 nan 8.370 nan 0.000 0.499 727 A N 2.426 125.261 122.820 0.023 0.000 2.599 727 A HA 0.531 4.848 4.320 -0.006 0.000 0.290 727 A C -0.661 176.670 177.584 -0.422 0.000 1.101 727 A CA -0.765 51.147 52.037 -0.210 0.000 0.674 727 A CB 0.724 19.464 19.000 -0.433 0.000 1.277 727 A HN 0.284 nan 8.150 nan 0.000 0.419 728 I N 0.574 120.874 120.570 -0.449 0.000 2.441 728 I HA 0.221 4.388 4.170 -0.006 0.000 0.287 728 I C -0.958 174.701 176.117 -0.764 0.000 1.049 728 I CA 0.406 61.424 61.300 -0.470 0.000 1.381 728 I CB 0.567 38.367 38.000 -0.334 0.000 1.409 728 I HN 0.599 nan 8.210 nan 0.000 0.523 729 W N 5.859 126.974 121.300 -0.308 0.000 2.656 729 W HA 0.471 5.128 4.660 -0.005 0.000 0.327 729 W C -1.005 175.287 176.519 -0.379 0.000 1.041 729 W CA -0.522 56.693 57.345 -0.216 0.000 1.229 729 W CB 0.990 30.376 29.460 -0.123 0.000 1.397 729 W HN 0.223 nan 8.180 nan 0.000 0.479 730 Y N 1.511 122.006 120.300 0.324 0.000 2.335 730 Y HA 0.187 4.733 4.550 -0.006 0.000 0.338 730 Y C 0.345 176.397 175.900 0.253 0.000 0.977 730 Y CA -1.212 57.008 58.100 0.200 0.000 1.114 730 Y CB 1.023 39.535 38.460 0.087 0.000 1.182 730 Y HN 0.356 nan 8.280 nan 0.000 0.463 731 D N 1.722 122.298 120.400 0.294 0.000 2.487 731 D HA -0.153 4.483 4.640 -0.006 0.000 0.243 731 D C 0.737 177.072 176.300 0.058 0.000 1.154 731 D CA 0.550 54.578 54.000 0.046 0.000 0.876 731 D CB 0.507 41.311 40.800 0.007 0.000 1.161 731 D HN 0.590 nan 8.370 nan 0.000 0.478 732 Y N 3.493 123.733 120.300 -0.100 0.000 2.145 732 Y HA -0.159 4.388 4.550 -0.005 0.000 0.286 732 Y C 1.693 177.577 175.900 -0.027 0.000 1.145 732 Y CA 1.756 59.833 58.100 -0.040 0.000 1.148 732 Y CB 0.146 38.569 38.460 -0.062 0.000 0.981 732 Y HN 0.589 nan 8.280 nan 0.000 0.507 733 E N -0.867 119.375 120.200 0.071 0.000 2.152 733 E HA -0.134 4.213 4.350 -0.006 0.000 0.192 733 E C 2.074 178.619 176.600 -0.091 0.000 0.983 733 E CA 1.380 57.784 56.400 0.006 0.000 0.818 733 E CB -0.161 29.596 29.700 0.094 0.000 0.758 733 E HN 0.536 nan 8.360 nan 0.000 0.467 734 S N -1.320 114.339 115.700 -0.069 0.000 2.505 734 S HA 0.259 4.726 4.470 -0.006 0.000 0.216 734 S C 1.680 176.230 174.600 -0.083 0.000 1.018 734 S CA 0.381 58.540 58.200 -0.069 0.000 0.911 734 S CB 0.876 64.056 63.200 -0.034 0.000 0.818 734 S HN 0.333 nan 8.310 nan 0.000 0.497 735 G N 1.342 110.093 108.800 -0.082 0.000 2.184 735 G HA2 -0.183 3.774 3.960 -0.006 0.000 0.264 735 G HA3 -0.183 3.774 3.960 -0.006 0.000 0.264 735 G C 0.332 175.267 174.900 0.059 0.000 0.975 735 G CA 0.074 45.134 45.100 -0.068 0.000 0.642 735 G HN 1.413 nan 8.290 nan 0.000 0.536 736 A N 0.310 123.165 122.820 0.059 0.000 2.450 736 A HA 0.572 4.889 4.320 -0.006 0.000 0.255 736 A C 0.711 178.374 177.584 0.131 0.000 1.096 736 A CA 0.661 52.742 52.037 0.073 0.000 0.778 736 A CB 0.334 19.332 19.000 -0.004 0.000 1.031 736 A HN 0.633 nan 8.150 nan 0.000 0.494 737 K N 2.247 122.727 120.400 0.133 0.000 2.451 737 K HA 0.055 4.372 4.320 -0.006 0.000 0.280 737 K C -0.175 176.310 176.600 -0.191 0.000 1.020 737 K CA -0.180 56.058 56.287 -0.083 0.000 1.008 737 K CB 0.330 32.775 32.500 -0.091 0.000 0.917 737 K HN 0.663 nan 8.250 nan 0.000 0.478 738 R N 4.401 124.733 120.500 -0.280 0.000 2.390 738 R HA 0.130 4.466 4.340 -0.006 0.000 0.291 738 R C -1.982 174.037 176.300 -0.468 0.000 1.070 738 R CA -2.009 53.766 56.100 -0.541 0.000 1.014 738 R CB 0.700 30.573 30.300 -0.713 0.000 1.007 738 R HN 0.558 nan 8.270 nan 0.000 0.466 739 P HA 0.127 nan 4.420 nan 0.000 0.235 739 P C -0.890 176.351 177.300 -0.099 0.000 1.725 739 P CA -0.003 62.930 63.100 -0.279 0.000 0.894 739 P CB 0.120 31.695 31.700 -0.209 0.000 1.704 740 W N 0.712 121.974 121.300 -0.063 0.000 2.883 740 W HA 0.585 5.242 4.660 -0.005 0.000 0.335 740 W C 0.156 176.638 176.519 -0.062 0.000 1.083 740 W CA -0.757 56.530 57.345 -0.096 0.000 1.233 740 W CB 1.893 31.250 29.460 -0.172 0.000 1.412 740 W HN -0.038 nan 8.180 nan 0.000 0.490 741 R N 2.354 122.939 120.500 0.141 0.000 2.522 741 R HA 0.182 4.519 4.340 -0.006 0.000 0.273 741 R C -0.104 176.167 176.300 -0.049 0.000 1.133 741 R CA -0.766 55.373 56.100 0.064 0.000 0.969 741 R CB 1.179 31.513 30.300 0.056 0.000 1.235 741 R HN 0.543 nan 8.270 nan 0.000 0.433 742 K N 2.940 123.251 120.400 -0.148 0.000 3.257 742 K HA -0.249 4.068 4.320 -0.006 0.000 0.270 742 K C -1.481 174.993 176.600 -0.211 0.000 0.984 742 K CA 1.798 57.976 56.287 -0.183 0.000 0.739 742 K CB -0.730 31.772 32.500 0.002 0.000 1.351 742 K HN 0.770 nan 8.250 nan 0.000 0.463 743 Q N -0.729 118.765 119.800 -0.510 0.000 2.522 743 Q HA 0.357 4.694 4.340 -0.006 0.000 0.285 743 Q C -1.230 174.512 176.000 -0.430 0.000 0.982 743 Q CA -1.335 54.299 55.803 -0.280 0.000 0.805 743 Q CB 1.120 29.769 28.738 -0.149 0.000 1.457 743 Q HN 0.254 nan 8.270 nan 0.000 0.394 744 R N 1.367 121.797 120.500 -0.118 0.000 2.254 744 R HA 0.541 4.878 4.340 -0.006 0.000 0.318 744 R C -0.564 175.591 176.300 -0.242 0.000 1.031 744 R CA -0.291 55.748 56.100 -0.100 0.000 0.905 744 R CB 1.120 31.456 30.300 0.059 0.000 1.050 744 R HN 0.591 nan 8.270 nan 0.000 0.456 745 V N 0.274 119.952 119.914 -0.393 0.000 2.960 745 V HA 0.487 4.604 4.120 -0.006 0.000 0.315 745 V C -0.812 175.065 176.094 -0.362 0.000 1.087 745 V CA -1.037 60.961 62.300 -0.504 0.000 0.982 745 V CB 2.224 33.384 31.823 -1.105 0.000 1.039 745 V HN 0.669 nan 8.190 nan 0.000 0.437 746 D N 3.889 124.131 120.400 -0.263 0.000 2.456 746 D HA 0.307 4.944 4.640 -0.006 0.000 0.219 746 D C -0.295 175.926 176.300 -0.132 0.000 1.126 746 D CA 0.222 54.131 54.000 -0.153 0.000 0.890 746 D CB 1.408 42.165 40.800 -0.071 0.000 1.025 746 D HN 0.714 nan 8.370 nan 0.000 0.511 747 M N 3.338 122.841 119.600 -0.162 0.000 2.146 747 M HA 0.084 4.561 4.480 -0.006 0.000 0.352 747 M C -0.863 175.496 176.300 0.099 0.000 1.343 747 M CA -0.684 54.573 55.300 -0.071 0.000 1.115 747 M CB 0.624 33.131 32.600 -0.155 0.000 1.657 747 M HN 0.246 nan 8.290 nan 0.000 0.471 748 Y N 6.655 126.991 120.300 0.061 0.000 2.480 748 Y HA 0.359 4.905 4.550 -0.006 0.000 0.341 748 Y C -1.395 174.543 175.900 0.062 0.000 1.031 748 Y CA -0.106 58.027 58.100 0.055 0.000 1.295 748 Y CB 0.187 38.690 38.460 0.071 0.000 1.162 748 Y HN 0.608 nan 8.280 nan 0.000 0.523 749 L N 10.319 131.342 121.223 -0.332 0.000 2.462 749 L HA 0.357 4.694 4.340 -0.006 0.000 0.255 749 L C -2.311 174.308 176.870 -0.418 0.000 1.076 749 L CA -1.968 52.676 54.840 -0.327 0.000 0.920 749 L CB 1.267 43.240 42.059 -0.143 0.000 1.214 749 L HN 0.510 nan 8.230 nan 0.000 0.472 750 P HA 0.064 nan 4.420 nan 0.000 0.275 750 P C 0.862 178.073 177.300 -0.150 0.000 1.270 750 P CA -0.228 62.643 63.100 -0.383 0.000 0.791 750 P CB 1.043 32.524 31.700 -0.365 0.000 1.089 751 A N 0.957 123.739 122.820 -0.062 0.000 2.009 751 A HA -0.225 4.092 4.320 -0.006 0.000 0.222 751 A C 1.357 178.949 177.584 0.014 0.000 1.175 751 A CA 2.497 54.530 52.037 -0.007 0.000 0.651 751 A CB -1.505 17.505 19.000 0.016 0.000 0.815 751 A HN 0.702 nan 8.150 nan 0.000 0.459 752 D N -1.984 118.427 120.400 0.019 0.000 2.388 752 D HA 0.185 4.821 4.640 -0.006 0.000 0.221 752 D C 0.301 176.706 176.300 0.175 0.000 1.133 752 D CA 0.034 54.082 54.000 0.080 0.000 0.831 752 D CB -0.043 40.789 40.800 0.054 0.000 0.962 752 D HN 0.341 nan 8.370 nan 0.000 0.502 753 K N 0.595 121.046 120.400 0.084 0.000 2.397 753 K HA 0.497 4.813 4.320 -0.006 0.000 0.253 753 K C -1.362 175.185 176.600 -0.088 0.000 0.932 753 K CA -0.853 55.486 56.287 0.086 0.000 0.795 753 K CB 2.367 34.860 32.500 -0.011 0.000 1.159 753 K HN 0.073 nan 8.250 nan 0.000 0.424 754 I N 1.644 122.046 120.570 -0.280 0.000 2.562 754 I HA 0.460 4.626 4.170 -0.006 0.000 0.301 754 I C 0.087 176.034 176.117 -0.284 0.000 1.003 754 I CA -0.579 60.503 61.300 -0.362 0.000 1.127 754 I CB 1.652 39.314 38.000 -0.563 0.000 1.304 754 I HN 0.742 nan 8.210 nan 0.000 0.446 755 G N 7.535 116.203 108.800 -0.219 0.000 2.354 755 G HA2 0.436 4.392 3.960 -0.006 0.000 0.266 755 G HA3 0.436 4.392 3.960 -0.006 0.000 0.266 755 G C -0.908 173.814 174.900 -0.296 0.000 1.242 755 G CA -0.285 44.721 45.100 -0.156 0.000 0.923 755 G HN 0.530 nan 8.290 nan 0.000 0.476 756 L N 3.048 124.045 121.223 -0.377 0.000 2.441 756 L HA 0.385 4.722 4.340 -0.006 0.000 0.270 756 L C -0.915 175.688 176.870 -0.444 0.000 0.973 756 L CA -0.824 53.769 54.840 -0.412 0.000 0.842 756 L CB 2.086 43.906 42.059 -0.398 0.000 1.239 756 L HN 0.603 nan 8.230 nan 0.000 0.406 757 H N 2.917 121.979 119.070 -0.013 0.000 2.600 757 H HA 0.600 5.153 4.556 -0.006 0.000 0.357 757 H C -0.861 174.675 175.328 0.348 0.000 1.106 757 H CA -0.492 55.670 56.048 0.191 0.000 1.193 757 H CB 2.238 32.088 29.762 0.146 0.000 1.594 757 H HN 0.364 nan 8.280 nan 0.000 0.526 758 L N 2.266 123.804 121.223 0.525 0.000 2.307 758 L HA 0.473 4.810 4.340 -0.006 0.000 0.282 758 L C 0.398 177.562 176.870 0.490 0.000 1.051 758 L CA -0.674 54.439 54.840 0.455 0.000 0.804 758 L CB 1.332 43.588 42.059 0.328 0.000 1.197 758 L HN 0.424 nan 8.230 nan 0.000 0.431 759 R N 1.252 121.909 120.500 0.261 0.000 2.308 759 R HA 0.388 4.725 4.340 -0.006 0.000 0.305 759 R C 0.141 176.515 176.300 0.124 0.000 1.053 759 R CA -0.410 55.581 56.100 -0.181 0.000 0.957 759 R CB 1.177 31.311 30.300 -0.276 0.000 1.022 759 R HN 0.809 nan 8.270 nan 0.000 0.461 760 G N 1.081 109.902 108.800 0.034 0.000 2.380 760 G HA2 0.355 4.312 3.960 -0.006 0.000 0.242 760 G HA3 0.355 4.312 3.960 -0.006 0.000 0.242 760 G C 0.748 175.737 174.900 0.148 0.000 1.298 760 G CA 0.300 45.521 45.100 0.203 0.000 0.878 760 G HN 0.925 nan 8.290 nan 0.000 0.542 761 G N 0.225 109.060 108.800 0.058 0.000 2.184 761 G HA2 -0.189 3.768 3.960 -0.006 0.000 0.206 761 G HA3 -0.189 3.768 3.960 -0.006 0.000 0.206 761 G C -0.045 174.529 174.900 -0.543 0.000 0.995 761 G CA 0.182 45.145 45.100 -0.229 0.000 0.651 761 G HN 0.806 nan 8.290 nan 0.000 0.511 762 Y N -0.216 120.114 120.300 0.050 0.000 2.462 762 Y HA 0.739 5.286 4.550 -0.005 0.000 0.346 762 Y C 0.435 176.352 175.900 0.028 0.000 0.976 762 Y CA -1.177 56.960 58.100 0.062 0.000 1.044 762 Y CB 1.692 40.193 38.460 0.068 0.000 1.230 762 Y HN 0.070 nan 8.280 nan 0.000 0.455 763 I N 5.250 125.933 120.570 0.188 0.000 2.382 763 I HA 0.437 4.604 4.170 -0.006 0.000 0.286 763 I C -0.654 175.535 176.117 0.120 0.000 1.002 763 I CA -0.712 60.639 61.300 0.084 0.000 1.135 763 I CB 1.006 39.058 38.000 0.087 0.000 1.288 763 I HN 0.481 nan 8.210 nan 0.000 0.448 764 I N 5.490 126.043 120.570 -0.028 0.000 2.441 764 I HA 0.699 4.866 4.170 -0.006 0.000 0.295 764 I C -2.693 173.438 176.117 0.023 0.000 0.994 764 I CA -2.380 58.901 61.300 -0.030 0.000 1.144 764 I CB 2.130 39.866 38.000 -0.439 0.000 1.314 764 I HN 0.213 nan 8.210 nan 0.000 0.445 765 P HA 0.441 nan 4.420 nan 0.000 0.284 765 P C -0.860 176.579 177.300 0.231 0.000 1.253 765 P CA -0.187 62.989 63.100 0.126 0.000 0.800 765 P CB 1.638 33.459 31.700 0.201 0.000 0.961 766 I N -1.495 119.148 120.570 0.123 0.000 3.174 766 I HA 0.676 4.842 4.170 -0.006 0.000 0.313 766 I C -1.251 174.943 176.117 0.129 0.000 1.155 766 I CA -1.412 60.008 61.300 0.199 0.000 0.977 766 I CB 2.682 40.788 38.000 0.176 0.000 1.248 766 I HN 0.251 nan 8.210 nan 0.000 0.453 767 Q N 1.963 121.876 119.800 0.188 0.000 2.315 767 Q HA 0.245 4.582 4.340 -0.006 0.000 0.273 767 Q C -1.100 174.990 176.000 0.151 0.000 1.053 767 Q CA -0.675 55.206 55.803 0.129 0.000 0.817 767 Q CB 2.502 31.348 28.738 0.181 0.000 1.326 767 Q HN 0.755 nan 8.270 nan 0.000 0.423 768 E N 5.230 125.485 120.200 0.091 0.000 2.694 768 E HA 0.007 4.353 4.350 -0.006 0.000 0.250 768 E C -2.086 174.594 176.600 0.132 0.000 0.963 768 E CA -0.943 55.511 56.400 0.090 0.000 0.949 768 E CB 0.575 30.302 29.700 0.044 0.000 0.911 768 E HN 0.289 nan 8.360 nan 0.000 0.500 769 P HA 0.243 nan 4.420 nan 0.000 0.276 769 P C -0.812 176.566 177.300 0.130 0.000 1.261 769 P CA -0.205 63.009 63.100 0.189 0.000 0.800 769 P CB 1.230 33.040 31.700 0.183 0.000 1.066 770 D N -1.369 119.112 120.400 0.134 0.000 2.825 770 D HA 0.104 4.741 4.640 -0.006 0.000 0.327 770 D C 0.695 176.967 176.300 -0.048 0.000 1.277 770 D CA -0.365 53.666 54.000 0.053 0.000 0.950 770 D CB 1.806 42.653 40.800 0.078 0.000 1.438 770 D HN 0.101 nan 8.370 nan 0.000 0.526 771 V N -1.465 118.407 119.914 -0.069 0.000 3.541 771 V HA 0.257 4.373 4.120 -0.006 0.000 0.267 771 V C 0.720 176.739 176.094 -0.124 0.000 1.213 771 V CA 1.204 63.405 62.300 -0.165 0.000 1.149 771 V CB -0.561 31.214 31.823 -0.080 0.000 0.822 771 V HN 0.548 nan 8.190 nan 0.000 0.462 772 T N -3.679 110.901 114.554 0.044 0.000 2.896 772 T HA 0.414 4.761 4.350 -0.006 0.000 0.297 772 T C 0.871 175.780 174.700 0.348 0.000 1.108 772 T CA 0.348 62.559 62.100 0.185 0.000 1.004 772 T CB 1.564 70.469 68.868 0.062 0.000 1.159 772 T HN 0.403 nan 8.240 nan 0.000 0.499 773 T N -1.275 113.526 114.554 0.411 0.000 2.915 773 T HA -0.073 4.274 4.350 -0.006 0.000 0.269 773 T C 1.831 176.675 174.700 0.240 0.000 1.071 773 T CA 1.639 63.966 62.100 0.378 0.000 1.132 773 T CB -1.205 67.904 68.868 0.402 0.000 0.878 773 T HN 0.670 nan 8.240 nan 0.000 0.479 774 T N 2.197 116.843 114.554 0.153 0.000 2.684 774 T HA 0.002 4.349 4.350 -0.006 0.000 0.267 774 T C 2.414 177.160 174.700 0.076 0.000 1.036 774 T CA 1.551 63.694 62.100 0.072 0.000 1.148 774 T CB -0.780 68.096 68.868 0.014 0.000 0.863 774 T HN 0.641 nan 8.240 nan 0.000 0.436 775 A N 1.638 124.512 122.820 0.091 0.000 1.898 775 A HA -0.015 4.302 4.320 -0.006 0.000 0.214 775 A C 2.591 180.245 177.584 0.118 0.000 1.183 775 A CA 1.781 53.867 52.037 0.081 0.000 0.622 775 A CB -0.832 18.204 19.000 0.060 0.000 0.824 775 A HN 0.581 nan 8.150 nan 0.000 0.444 776 S N 0.140 115.951 115.700 0.185 0.000 2.399 776 S HA -0.195 4.271 4.470 -0.006 0.000 0.231 776 S C 1.920 176.647 174.600 0.211 0.000 1.022 776 S CA 1.264 59.599 58.200 0.225 0.000 0.983 776 S CB -0.516 62.893 63.200 0.349 0.000 0.803 776 S HN 0.579 nan 8.310 nan 0.000 0.480 777 R N 1.476 122.093 120.500 0.195 0.000 2.193 777 R HA 0.054 4.391 4.340 -0.006 0.000 0.229 777 R C 1.863 178.274 176.300 0.185 0.000 1.110 777 R CA 1.349 57.572 56.100 0.205 0.000 0.988 777 R CB -0.190 30.141 30.300 0.052 0.000 0.871 777 R HN 0.561 nan 8.270 nan 0.000 0.458 778 K N -0.160 120.306 120.400 0.111 0.000 2.444 778 K HA 0.067 4.384 4.320 -0.006 0.000 0.193 778 K C 0.165 176.781 176.600 0.028 0.000 1.024 778 K CA 0.019 56.345 56.287 0.064 0.000 1.077 778 K CB 0.167 32.693 32.500 0.043 0.000 0.833 778 K HN 0.061 nan 8.250 nan 0.000 0.517 779 N N 1.687 120.409 118.700 0.037 0.000 2.463 779 N HA 0.196 4.933 4.740 -0.006 0.000 0.270 779 N C -2.655 172.828 175.510 -0.044 0.000 1.205 779 N CA -2.100 50.957 53.050 0.011 0.000 0.974 779 N CB 0.337 38.853 38.487 0.049 0.000 1.197 779 N HN -0.201 nan 8.380 nan 0.000 0.504 780 P HA 0.089 nan 4.420 nan 0.000 0.267 780 P C -0.288 176.943 177.300 -0.115 0.000 1.200 780 P CA 0.247 63.288 63.100 -0.098 0.000 0.772 780 P CB 0.596 32.258 31.700 -0.064 0.000 0.855 781 L N 1.424 122.526 121.223 -0.201 0.000 2.400 781 L HA 0.838 5.174 4.340 -0.006 0.000 0.264 781 L C 1.104 177.941 176.870 -0.055 0.000 1.061 781 L CA -0.197 54.521 54.840 -0.203 0.000 0.799 781 L CB 1.184 42.931 42.059 -0.520 0.000 1.240 781 L HN 0.476 nan 8.230 nan 0.000 0.461 782 G N 0.208 109.013 108.800 0.008 0.000 2.687 782 G HA2 0.720 4.677 3.960 -0.006 0.000 0.291 782 G HA3 0.720 4.677 3.960 -0.006 0.000 0.291 782 G C -1.887 172.941 174.900 -0.119 0.000 1.420 782 G CA -0.579 44.509 45.100 -0.020 0.000 0.796 782 G HN 0.353 nan 8.290 nan 0.000 0.485 783 L N 0.002 121.073 121.223 -0.254 0.000 2.431 783 L HA 0.572 4.908 4.340 -0.006 0.000 0.266 783 L C -0.899 175.799 176.870 -0.287 0.000 0.978 783 L CA -0.727 53.881 54.840 -0.386 0.000 0.822 783 L CB 2.544 44.192 42.059 -0.685 0.000 1.310 783 L HN 0.350 nan 8.230 nan 0.000 0.409 784 I N 3.176 123.607 120.570 -0.232 0.000 2.362 784 I HA 0.359 4.526 4.170 -0.006 0.000 0.289 784 I C -0.553 175.444 176.117 -0.200 0.000 0.994 784 I CA -0.792 60.385 61.300 -0.204 0.000 1.158 784 I CB 1.955 39.872 38.000 -0.139 0.000 1.315 784 I HN 0.156 nan 8.210 nan 0.000 0.451 785 V N 5.959 125.737 119.914 -0.227 0.000 2.328 785 V HA 0.532 4.649 4.120 -0.006 0.000 0.278 785 V C 0.425 176.399 176.094 -0.200 0.000 1.021 785 V CA -0.520 61.675 62.300 -0.176 0.000 0.838 785 V CB 1.275 32.995 31.823 -0.172 0.000 0.999 785 V HN 0.818 nan 8.190 nan 0.000 0.447 786 A N 6.795 129.537 122.820 -0.130 0.000 2.280 786 A HA 0.730 5.047 4.320 -0.006 0.000 0.320 786 A C -0.329 177.245 177.584 -0.016 0.000 1.366 786 A CA -0.457 51.465 52.037 -0.192 0.000 0.938 786 A CB 0.156 19.155 19.000 -0.001 0.000 1.157 786 A HN 0.830 nan 8.150 nan 0.000 0.536 787 L N 2.816 124.015 121.223 -0.040 0.000 2.426 787 L HA 0.396 4.732 4.340 -0.006 0.000 0.271 787 L C 1.352 178.322 176.870 0.167 0.000 1.169 787 L CA -0.177 54.708 54.840 0.076 0.000 0.836 787 L CB 0.828 42.935 42.059 0.079 0.000 1.112 787 L HN 0.799 nan 8.230 nan 0.000 0.465 788 G N 1.297 110.146 108.800 0.081 0.000 2.563 788 G HA2 0.155 4.112 3.960 -0.006 0.000 0.283 788 G HA3 0.155 4.112 3.960 -0.006 0.000 0.283 788 G C 0.538 175.465 174.900 0.045 0.000 1.309 788 G CA -0.358 44.772 45.100 0.050 0.000 1.022 788 G HN 0.805 nan 8.290 nan 0.000 0.501 789 E N 0.012 120.221 120.200 0.015 0.000 2.114 789 E HA -0.165 4.181 4.350 -0.006 0.000 0.199 789 E C 1.202 177.813 176.600 0.019 0.000 1.008 789 E CA 1.484 57.892 56.400 0.013 0.000 0.810 789 E CB 0.057 29.759 29.700 0.003 0.000 0.739 789 E HN 0.366 nan 8.360 nan 0.000 0.456 790 N N 0.559 119.267 118.700 0.013 0.000 2.279 790 N HA 0.067 4.804 4.740 -0.006 0.000 0.226 790 N C -0.846 174.673 175.510 0.015 0.000 1.126 790 N CA 0.095 53.151 53.050 0.011 0.000 0.846 790 N CB 0.346 38.834 38.487 0.002 0.000 1.050 790 N HN 0.174 nan 8.380 nan 0.000 0.502 791 N N 0.033 118.752 118.700 0.033 0.000 2.758 791 N HA -0.167 4.569 4.740 -0.006 0.000 0.248 791 N C -0.657 174.874 175.510 0.036 0.000 1.076 791 N CA 0.955 54.035 53.050 0.050 0.000 0.696 791 N CB -1.131 37.388 38.487 0.052 0.000 0.979 791 N HN 0.434 nan 8.380 nan 0.000 0.550 792 T N -3.233 111.331 114.554 0.017 0.000 2.926 792 T HA 0.935 5.281 4.350 -0.006 0.000 0.289 792 T C -0.472 174.218 174.700 -0.016 0.000 1.054 792 T CA -0.154 61.947 62.100 0.001 0.000 1.015 792 T CB 2.905 71.761 68.868 -0.020 0.000 1.167 792 T HN 0.506 nan 8.240 nan 0.000 0.526 793 A N 1.140 123.944 122.820 -0.025 0.000 2.599 793 A HA 0.773 5.089 4.320 -0.006 0.000 0.294 793 A C -1.326 176.239 177.584 -0.032 0.000 1.055 793 A CA -1.114 50.885 52.037 -0.063 0.000 0.683 793 A CB 1.397 20.390 19.000 -0.012 0.000 1.278 793 A HN 1.237 nan 8.150 nan 0.000 0.412 794 K N 0.422 120.784 120.400 -0.064 0.000 2.533 794 K HA 0.889 5.206 4.320 -0.006 0.000 0.272 794 K C -0.142 176.560 176.600 0.170 0.000 0.985 794 K CA -0.363 55.959 56.287 0.059 0.000 0.876 794 K CB 1.957 34.469 32.500 0.020 0.000 1.452 794 K HN 2.188 nan 8.250 nan 0.000 0.439 795 G N 0.400 109.378 108.800 0.296 0.000 2.341 795 G HA2 0.462 4.419 3.960 -0.006 0.000 0.299 795 G HA3 0.462 4.419 3.960 -0.006 0.000 0.299 795 G C -2.137 172.973 174.900 0.351 0.000 1.274 795 G CA -0.230 45.118 45.100 0.413 0.000 0.853 795 G HN 0.893 nan 8.290 nan 0.000 0.493 796 D N -2.344 118.299 120.400 0.406 0.000 2.768 796 D HA 0.728 5.364 4.640 -0.006 0.000 0.327 796 D C -1.544 175.063 176.300 0.512 0.000 1.302 796 D CA -0.670 53.428 54.000 0.164 0.000 0.897 796 D CB 1.907 42.825 40.800 0.196 0.000 1.420 796 D HN 0.850 nan 8.370 nan 0.000 0.494 797 F N 0.336 120.436 119.950 0.249 0.000 2.651 797 F HA 0.574 5.097 4.527 -0.006 0.000 0.329 797 F C -2.494 173.588 175.800 0.470 0.000 1.186 797 F CA -1.525 56.772 58.000 0.494 0.000 1.046 797 F CB 1.411 40.811 39.000 0.666 0.000 1.296 797 F HN 0.423 nan 8.300 nan 0.000 0.497 798 F N 7.277 127.181 119.950 -0.077 0.000 2.469 798 F HA 0.663 5.187 4.527 -0.005 0.000 0.332 798 F C -1.820 173.849 175.800 -0.218 0.000 1.103 798 F CA -0.772 57.042 58.000 -0.310 0.000 0.979 798 F CB 1.274 39.956 39.000 -0.529 0.000 1.137 798 F HN 0.583 nan 8.300 nan 0.000 0.463 799 W N 8.582 129.212 121.300 -1.116 0.000 3.042 799 W HA 0.318 4.975 4.660 -0.006 0.000 0.337 799 W C -1.843 174.286 176.519 -0.649 0.000 1.086 799 W CA -0.615 56.313 57.345 -0.694 0.000 1.236 799 W CB 1.949 31.117 29.460 -0.486 0.000 1.381 799 W HN 0.765 nan 8.180 nan 0.000 0.472 800 D N 1.369 121.196 120.400 -0.955 0.000 2.867 800 D HA 0.156 4.792 4.640 -0.006 0.000 0.308 800 D C 0.643 176.225 176.300 -1.196 0.000 1.202 800 D CA -0.214 53.218 54.000 -0.947 0.000 1.035 800 D CB 0.081 40.553 40.800 -0.547 0.000 1.427 800 D HN 0.267 nan 8.370 nan 0.000 0.570 801 D N -1.505 118.200 120.400 -1.159 0.000 2.348 801 D HA 0.123 4.760 4.640 -0.006 0.000 0.216 801 D C 1.607 177.669 176.300 -0.397 0.000 0.970 801 D CA 1.304 54.906 54.000 -0.664 0.000 0.889 801 D CB -0.386 40.176 40.800 -0.398 0.000 0.912 801 D HN 0.926 nan 8.370 nan 0.000 0.524 802 G N 0.520 109.100 108.800 -0.367 0.000 2.176 802 G HA2 -0.340 3.617 3.960 -0.006 0.000 0.253 802 G HA3 -0.340 3.617 3.960 -0.006 0.000 0.253 802 G C 0.721 175.601 174.900 -0.034 0.000 0.979 802 G CA 0.631 45.584 45.100 -0.246 0.000 0.641 802 G HN 0.612 nan 8.290 nan 0.000 0.530 803 E N -1.953 118.226 120.200 -0.034 0.000 2.641 803 E HA 0.148 4.495 4.350 -0.006 0.000 0.201 803 E C 0.312 176.916 176.600 0.007 0.000 0.921 803 E CA 0.377 56.790 56.400 0.023 0.000 1.551 803 E CB 0.146 29.878 29.700 0.053 0.000 1.640 803 E HN 0.238 nan 8.360 nan 0.000 0.906 804 T N 2.143 116.686 114.554 -0.018 0.000 2.851 804 T HA 0.224 4.571 4.350 -0.006 0.000 0.298 804 T C -0.245 174.454 174.700 -0.002 0.000 0.977 804 T CA -0.223 61.874 62.100 -0.005 0.000 1.126 804 T CB 1.266 70.126 68.868 -0.013 0.000 0.916 804 T HN -0.050 nan 8.240 nan 0.000 0.529 805 K N 2.544 122.948 120.400 0.008 0.000 2.350 805 K HA 0.140 4.456 4.320 -0.006 0.000 0.279 805 K C 0.295 176.904 176.600 0.015 0.000 1.027 805 K CA 0.136 56.423 56.287 0.000 0.000 0.969 805 K CB 0.134 32.644 32.500 0.017 0.000 0.954 805 K HN 0.586 nan 8.250 nan 0.000 0.474 806 D N 1.366 121.771 120.400 0.008 0.000 3.090 806 D HA -0.195 4.442 4.640 -0.006 0.000 0.215 806 D C 0.696 177.044 176.300 0.081 0.000 1.140 806 D CA 1.466 55.494 54.000 0.047 0.000 0.937 806 D CB -1.726 39.105 40.800 0.053 0.000 1.108 806 D HN 0.812 nan 8.370 nan 0.000 0.420 807 T N -1.912 112.692 114.554 0.083 0.000 2.759 807 T HA -0.133 4.213 4.350 -0.006 0.000 0.269 807 T C 2.123 177.001 174.700 0.296 0.000 1.042 807 T CA 1.344 63.537 62.100 0.155 0.000 1.140 807 T CB -0.273 68.675 68.868 0.132 0.000 0.864 807 T HN 0.436 nan 8.240 nan 0.000 0.455 808 I N 1.012 121.719 120.570 0.228 0.000 2.286 808 I HA -0.116 4.051 4.170 -0.006 0.000 0.245 808 I C 3.103 179.367 176.117 0.245 0.000 1.104 808 I CA 1.361 62.800 61.300 0.232 0.000 1.397 808 I CB -0.521 37.502 38.000 0.039 0.000 1.072 808 I HN 0.282 nan 8.210 nan 0.000 0.417 809 Q N 0.960 120.854 119.800 0.156 0.000 2.096 809 Q HA -0.205 4.131 4.340 -0.006 0.000 0.204 809 Q C 1.521 177.593 176.000 0.120 0.000 0.982 809 Q CA 1.595 57.465 55.803 0.111 0.000 0.850 809 Q CB 0.104 28.892 28.738 0.084 0.000 0.901 809 Q HN 0.465 nan 8.270 nan 0.000 0.422 810 N N -1.184 117.597 118.700 0.136 0.000 2.398 810 N HA 0.063 4.800 4.740 -0.006 0.000 0.188 810 N C 0.514 176.099 175.510 0.126 0.000 1.122 810 N CA 0.951 54.069 53.050 0.112 0.000 0.866 810 N CB 0.972 39.514 38.487 0.091 0.000 0.970 810 N HN 0.404 nan 8.380 nan 0.000 0.462 811 G N 1.221 110.134 108.800 0.189 0.000 2.153 811 G HA2 -0.260 3.697 3.960 -0.006 0.000 0.252 811 G HA3 -0.260 3.697 3.960 -0.006 0.000 0.252 811 G C -0.215 174.682 174.900 -0.006 0.000 0.994 811 G CA -0.255 44.875 45.100 0.051 0.000 0.698 811 G HN 0.285 nan 8.290 nan 0.000 0.521 812 N N 0.554 119.336 118.700 0.136 0.000 3.083 812 N HA 0.518 5.255 4.740 -0.006 0.000 0.260 812 N C -0.281 175.321 175.510 0.152 0.000 1.163 812 N CA 0.427 53.538 53.050 0.101 0.000 1.060 812 N CB 0.030 38.572 38.487 0.091 0.000 1.345 812 N HN 0.779 nan 8.380 nan 0.000 0.515 813 Y N -1.657 118.732 120.300 0.149 0.000 2.713 813 Y HA 0.589 5.135 4.550 -0.005 0.000 0.335 813 Y C -1.403 174.574 175.900 0.128 0.000 1.222 813 Y CA -1.355 56.742 58.100 -0.004 0.000 1.061 813 Y CB 0.934 39.310 38.460 -0.140 0.000 1.314 813 Y HN -0.082 nan 8.280 nan 0.000 0.453 814 I N 2.558 123.271 120.570 0.239 0.000 2.441 814 I HA 0.545 4.712 4.170 -0.006 0.000 0.295 814 I C -1.423 174.816 176.117 0.203 0.000 0.994 814 I CA -1.000 60.424 61.300 0.207 0.000 1.144 814 I CB 1.943 40.096 38.000 0.256 0.000 1.314 814 I HN 0.564 nan 8.210 nan 0.000 0.445 815 L N 6.899 128.241 121.223 0.199 0.000 2.410 815 L HA 0.541 4.878 4.340 -0.006 0.000 0.270 815 L C -1.716 175.176 176.870 0.037 0.000 0.983 815 L CA -0.212 54.739 54.840 0.185 0.000 0.822 815 L CB 1.620 43.873 42.059 0.323 0.000 1.285 815 L HN 0.329 nan 8.230 nan 0.000 0.409 816 Y N 1.478 121.859 120.300 0.135 0.000 2.468 816 Y HA 0.713 5.260 4.550 -0.006 0.000 0.342 816 Y C 0.340 176.119 175.900 -0.201 0.000 1.021 816 Y CA -0.393 57.719 58.100 0.020 0.000 1.079 816 Y CB 2.418 40.920 38.460 0.070 0.000 1.226 816 Y HN 0.662 nan 8.280 nan 0.000 0.460 817 T N -0.344 114.184 114.554 -0.043 0.000 2.855 817 T HA 0.739 5.086 4.350 -0.006 0.000 0.281 817 T C -1.104 173.487 174.700 -0.182 0.000 1.007 817 T CA -0.680 61.339 62.100 -0.135 0.000 1.009 817 T CB 0.838 69.728 68.868 0.036 0.000 0.983 817 T HN 0.218 nan 8.240 nan 0.000 0.455 818 F N 1.008 121.089 119.950 0.218 0.000 2.508 818 F HA 0.777 5.301 4.527 -0.006 0.000 0.325 818 F C 0.575 176.432 175.800 0.095 0.000 1.090 818 F CA -1.024 57.055 58.000 0.132 0.000 0.945 818 F CB 2.250 41.294 39.000 0.074 0.000 1.156 818 F HN 0.800 nan 8.300 nan 0.000 0.463 819 S N 1.748 117.605 115.700 0.261 0.000 2.546 819 S HA 0.815 5.281 4.470 -0.006 0.000 0.272 819 S C -1.937 172.728 174.600 0.109 0.000 1.140 819 S CA -0.513 57.776 58.200 0.148 0.000 0.920 819 S CB 1.314 64.576 63.200 0.102 0.000 1.083 819 S HN 0.425 nan 8.310 nan 0.000 0.476 820 V N 3.983 123.944 119.914 0.079 0.000 2.540 820 V HA 0.890 5.007 4.120 -0.006 0.000 0.302 820 V C -0.448 175.653 176.094 0.012 0.000 1.035 820 V CA -0.412 61.925 62.300 0.063 0.000 0.873 820 V CB 1.690 33.598 31.823 0.142 0.000 0.992 820 V HN 1.102 nan 8.190 nan 0.000 0.428 821 S N 2.761 118.434 115.700 -0.045 0.000 2.533 821 S HA 0.532 4.999 4.470 -0.006 0.000 0.271 821 S C -0.415 174.104 174.600 -0.136 0.000 1.143 821 S CA -0.889 57.274 58.200 -0.061 0.000 0.891 821 S CB 1.593 64.766 63.200 -0.044 0.000 1.105 821 S HN 0.675 nan 8.310 nan 0.000 0.468 822 N N 1.994 120.619 118.700 -0.125 0.000 2.705 822 N HA -0.213 4.524 4.740 -0.006 0.000 0.255 822 N C -0.382 174.910 175.510 -0.363 0.000 1.008 822 N CA 1.310 54.252 53.050 -0.180 0.000 0.742 822 N CB -1.926 36.476 38.487 -0.143 0.000 0.906 822 N HN 1.002 nan 8.380 nan 0.000 0.541 823 N N -2.726 115.664 118.700 -0.517 0.000 2.747 823 N HA -0.196 4.541 4.740 -0.006 0.000 0.249 823 N C -1.182 173.329 175.510 -1.665 0.000 1.107 823 N CA 1.349 53.584 53.050 -1.358 0.000 0.707 823 N CB -0.782 37.046 38.487 -1.099 0.000 1.054 823 N HN 0.346 nan 8.380 nan 0.000 0.555 824 T N 0.842 114.804 114.554 -0.986 0.000 2.890 824 T HA 0.446 4.793 4.350 -0.006 0.000 0.295 824 T C -0.822 173.712 174.700 -0.278 0.000 0.993 824 T CA -0.559 61.184 62.100 -0.594 0.000 0.979 824 T CB 1.690 70.371 68.868 -0.312 0.000 0.967 824 T HN 0.200 nan 8.240 nan 0.000 0.441 825 L N 3.891 125.076 121.223 -0.062 0.000 2.264 825 L HA 0.584 4.920 4.340 -0.006 0.000 0.289 825 L C -0.827 176.101 176.870 0.097 0.000 1.044 825 L CA -0.124 54.792 54.840 0.127 0.000 0.807 825 L CB 0.629 42.843 42.059 0.258 0.000 1.192 825 L HN 0.430 nan 8.230 nan 0.000 0.425 826 D N 6.096 126.566 120.400 0.116 0.000 2.256 826 D HA 0.435 5.071 4.640 -0.006 0.000 0.240 826 D C -0.518 175.931 176.300 0.248 0.000 1.062 826 D CA 0.292 54.381 54.000 0.150 0.000 0.832 826 D CB 1.894 42.761 40.800 0.113 0.000 1.135 826 D HN 0.465 nan 8.370 nan 0.000 0.484 827 I N 2.341 123.094 120.570 0.305 0.000 2.420 827 I HA 0.195 4.362 4.170 -0.006 0.000 0.282 827 I C -0.628 175.789 176.117 0.500 0.000 1.019 827 I CA -0.731 60.852 61.300 0.471 0.000 1.130 827 I CB 1.686 39.929 38.000 0.406 0.000 1.262 827 I HN -0.081 nan 8.210 nan 0.000 0.454 828 V N 5.395 125.582 119.914 0.455 0.000 2.378 828 V HA 0.210 4.327 4.120 -0.006 0.000 0.288 828 V C -0.102 176.047 176.094 0.093 0.000 1.016 828 V CA -0.711 61.738 62.300 0.247 0.000 0.840 828 V CB 1.774 33.677 31.823 0.134 0.000 0.994 828 V HN 0.821 nan 8.190 nan 0.000 0.431 829 C N 5.429 124.631 119.300 -0.165 0.000 2.322 829 C HA 0.354 4.811 4.460 -0.006 0.000 0.343 829 C C 1.916 176.767 174.990 -0.233 0.000 1.190 829 C CA 0.381 59.035 59.018 -0.608 0.000 1.704 829 C CB -0.455 26.939 27.740 -0.576 0.000 2.293 829 C HN 1.074 nan 8.230 nan 0.000 0.523 830 T N 1.130 115.599 114.554 -0.142 0.000 3.057 830 T HA 0.128 4.475 4.350 -0.006 0.000 0.254 830 T C 0.297 175.051 174.700 0.089 0.000 1.094 830 T CA 0.648 62.754 62.100 0.009 0.000 1.088 830 T CB -0.199 68.716 68.868 0.078 0.000 0.934 830 T HN 0.835 nan 8.240 nan 0.000 0.497 831 H N -0.109 118.916 119.070 -0.074 0.000 3.029 831 H HA 0.596 5.148 4.556 -0.005 0.000 0.358 831 H C -1.756 173.496 175.328 -0.127 0.000 1.129 831 H CA -0.529 55.466 56.048 -0.089 0.000 1.230 831 H CB 2.205 31.932 29.762 -0.058 0.000 1.827 831 H HN 0.066 nan 8.280 nan 0.000 0.530 832 S N 3.534 118.938 115.700 -0.493 0.000 2.571 832 S HA 0.343 4.810 4.470 -0.006 0.000 0.238 832 S C -1.133 173.266 174.600 -0.335 0.000 1.153 832 S CA -0.296 57.735 58.200 -0.281 0.000 1.141 832 S CB 0.342 63.447 63.200 -0.158 0.000 1.133 832 S HN 0.539 nan 8.310 nan 0.000 0.464 833 S N 4.378 119.930 115.700 -0.247 0.000 2.569 833 S HA 0.375 4.841 4.470 -0.006 0.000 0.215 833 S C -1.503 173.141 174.600 0.074 0.000 1.096 833 S CA -0.265 57.853 58.200 -0.137 0.000 1.183 833 S CB 0.135 63.217 63.200 -0.198 0.000 1.324 833 S HN 0.750 nan 8.310 nan 0.000 0.421 834 Y N 2.062 122.336 120.300 -0.042 0.000 2.379 834 Y HA 0.362 4.909 4.550 -0.005 0.000 0.342 834 Y C 0.581 176.501 175.900 0.033 0.000 1.126 834 Y CA -0.895 57.211 58.100 0.010 0.000 1.310 834 Y CB 0.727 39.207 38.460 0.034 0.000 1.115 834 Y HN 0.342 nan 8.280 nan 0.000 0.505 835 Q N 2.594 122.317 119.800 -0.129 0.000 2.077 835 Q HA -0.232 4.105 4.340 -0.006 0.000 0.206 835 Q C 1.732 177.533 176.000 -0.332 0.000 0.989 835 Q CA 2.636 58.335 55.803 -0.174 0.000 0.853 835 Q CB -0.040 28.655 28.738 -0.072 0.000 0.907 835 Q HN 0.818 nan 8.270 nan 0.000 0.418 836 E N -0.841 119.046 120.200 -0.521 0.000 2.118 836 E HA -0.132 4.215 4.350 -0.006 0.000 0.195 836 E C 1.872 178.149 176.600 -0.539 0.000 0.992 836 E CA 1.471 57.587 56.400 -0.474 0.000 0.804 836 E CB -0.916 28.611 29.700 -0.289 0.000 0.741 836 E HN 0.540 nan 8.360 nan 0.000 0.458 837 G N -0.390 107.787 108.800 -1.038 0.000 2.475 837 G HA2 -0.303 3.654 3.960 -0.006 0.000 0.220 837 G HA3 -0.303 3.654 3.960 -0.006 0.000 0.220 837 G C 1.645 176.474 174.900 -0.118 0.000 1.125 837 G CA 1.271 46.229 45.100 -0.236 0.000 0.755 837 G HN 0.326 nan 8.290 nan 0.000 0.565 838 T N 0.958 115.424 114.554 -0.147 0.000 2.946 838 T HA -0.123 4.223 4.350 -0.006 0.000 0.271 838 T C 2.588 177.253 174.700 -0.058 0.000 1.104 838 T CA 1.810 63.874 62.100 -0.060 0.000 1.114 838 T CB -0.381 68.452 68.868 -0.057 0.000 0.867 838 T HN 0.623 nan 8.240 nan 0.000 0.513 839 T N -0.692 113.811 114.554 -0.086 0.000 3.113 839 T HA 0.287 4.634 4.350 -0.006 0.000 0.256 839 T C 0.665 175.316 174.700 -0.081 0.000 1.131 839 T CA -0.009 62.052 62.100 -0.065 0.000 1.074 839 T CB -0.222 68.612 68.868 -0.057 0.000 0.944 839 T HN 0.225 nan 8.240 nan 0.000 0.516 840 L N 1.168 122.317 121.223 -0.124 0.000 2.416 840 L HA 0.772 5.108 4.340 -0.006 0.000 0.262 840 L C 0.118 176.844 176.870 -0.240 0.000 1.093 840 L CA -1.129 53.588 54.840 -0.205 0.000 0.801 840 L CB 1.329 43.188 42.059 -0.335 0.000 1.191 840 L HN 0.266 nan 8.230 nan 0.000 0.459 841 A N 0.805 123.438 122.820 -0.311 0.000 2.574 841 A HA 0.655 4.972 4.320 -0.006 0.000 0.297 841 A C -1.262 176.064 177.584 -0.431 0.000 1.062 841 A CA -0.572 51.268 52.037 -0.327 0.000 0.686 841 A CB 0.863 19.764 19.000 -0.165 0.000 1.285 841 A HN 0.382 nan 8.150 nan 0.000 0.403 842 F N 1.306 121.102 119.950 -0.256 0.000 2.541 842 F HA 0.265 4.789 4.527 -0.006 0.000 0.378 842 F C 1.617 177.261 175.800 -0.260 0.000 1.068 842 F CA 0.675 58.496 58.000 -0.298 0.000 1.199 842 F CB 0.807 39.587 39.000 -0.368 0.000 1.091 842 F HN 0.705 nan 8.300 nan 0.000 0.555 843 Q N 0.846 120.618 119.800 -0.045 0.000 2.245 843 Q HA 0.181 4.518 4.340 -0.006 0.000 0.236 843 Q C -0.265 175.693 176.000 -0.070 0.000 0.842 843 Q CA 0.328 56.090 55.803 -0.068 0.000 0.945 843 Q CB 1.088 29.789 28.738 -0.062 0.000 1.122 843 Q HN 0.636 nan 8.270 nan 0.000 0.506 844 T N 0.615 115.121 114.554 -0.080 0.000 2.952 844 T HA 0.479 4.826 4.350 -0.006 0.000 0.305 844 T C -0.983 173.620 174.700 -0.162 0.000 1.064 844 T CA -0.410 61.629 62.100 -0.102 0.000 1.008 844 T CB 2.532 71.353 68.868 -0.078 0.000 1.078 844 T HN -0.217 nan 8.240 nan 0.000 0.459 845 V N 2.998 122.793 119.914 -0.199 0.000 2.531 845 V HA 0.566 4.683 4.120 -0.006 0.000 0.301 845 V C -0.307 175.628 176.094 -0.265 0.000 1.034 845 V CA -0.846 61.293 62.300 -0.269 0.000 0.865 845 V CB 2.024 33.658 31.823 -0.314 0.000 0.995 845 V HN 0.732 nan 8.190 nan 0.000 0.424 846 K N 4.455 124.690 120.400 -0.276 0.000 2.323 846 K HA 0.735 5.051 4.320 -0.006 0.000 0.259 846 K C -1.410 174.989 176.600 -0.335 0.000 0.947 846 K CA -0.567 55.556 56.287 -0.274 0.000 0.819 846 K CB 1.496 33.857 32.500 -0.231 0.000 1.109 846 K HN 0.605 nan 8.250 nan 0.000 0.429 847 I N 5.700 126.040 120.570 -0.384 0.000 2.389 847 I HA 0.310 4.477 4.170 -0.006 0.000 0.288 847 I C -0.600 175.314 176.117 -0.338 0.000 0.999 847 I CA -0.690 60.364 61.300 -0.411 0.000 1.129 847 I CB 1.318 38.937 38.000 -0.635 0.000 1.288 847 I HN 0.350 nan 8.210 nan 0.000 0.444 848 L N 5.240 126.228 121.223 -0.393 0.000 2.331 848 L HA 0.632 4.968 4.340 -0.006 0.000 0.275 848 L C 1.105 177.689 176.870 -0.478 0.000 1.022 848 L CA -0.694 53.826 54.840 -0.534 0.000 0.812 848 L CB 1.488 42.987 42.059 -0.933 0.000 1.257 848 L HN 0.909 nan 8.230 nan 0.000 0.435 849 G N 2.057 110.724 108.800 -0.222 0.000 2.160 849 G HA2 -0.282 3.675 3.960 -0.006 0.000 0.251 849 G HA3 -0.282 3.675 3.960 -0.006 0.000 0.251 849 G C -0.407 174.556 174.900 0.104 0.000 1.008 849 G CA -0.058 45.123 45.100 0.135 0.000 0.724 849 G HN 0.441 nan 8.290 nan 0.000 0.514 850 L N 1.023 122.287 121.223 0.070 0.000 2.325 850 L HA 0.691 5.027 4.340 -0.006 0.000 0.284 850 L C 1.421 178.413 176.870 0.203 0.000 1.089 850 L CA 1.150 56.071 54.840 0.135 0.000 0.836 850 L CB 1.220 43.341 42.059 0.102 0.000 1.184 850 L HN 0.113 nan 8.230 nan 0.000 0.444 851 T N 1.590 116.239 114.554 0.158 0.000 3.051 851 T HA 0.107 4.454 4.350 -0.006 0.000 0.255 851 T C -0.093 174.685 174.700 0.129 0.000 1.085 851 T CA 0.433 62.620 62.100 0.145 0.000 1.109 851 T CB -0.230 68.698 68.868 0.099 0.000 0.921 851 T HN 0.819 nan 8.240 nan 0.000 0.488 852 D N 1.098 121.544 120.400 0.076 0.000 2.168 852 D HA 0.489 5.126 4.640 -0.006 0.000 0.246 852 D C -0.200 175.990 176.300 -0.184 0.000 1.050 852 D CA -0.487 53.512 54.000 -0.001 0.000 0.857 852 D CB 1.231 42.026 40.800 -0.009 0.000 1.169 852 D HN -0.027 nan 8.370 nan 0.000 0.453 853 S N 0.499 116.080 115.700 -0.199 0.000 2.566 853 S HA 0.234 4.701 4.470 -0.006 0.000 0.280 853 S C 0.142 174.505 174.600 -0.396 0.000 1.343 853 S CA -0.771 57.173 58.200 -0.427 0.000 1.036 853 S CB 0.586 63.740 63.200 -0.077 0.000 0.866 853 S HN 0.382 nan 8.310 nan 0.000 0.526 854 V N 2.591 122.230 119.914 -0.458 0.000 2.384 854 V HA 0.228 4.345 4.120 -0.006 0.000 0.287 854 V C 0.881 176.964 176.094 -0.019 0.000 1.020 854 V CA -0.501 61.663 62.300 -0.227 0.000 0.850 854 V CB 1.223 32.856 31.823 -0.315 0.000 0.987 854 V HN 1.038 nan 8.190 nan 0.000 0.436 855 T N 2.897 117.442 114.554 -0.015 0.000 2.976 855 T HA 0.098 4.445 4.350 -0.006 0.000 0.257 855 T C 0.487 175.262 174.700 0.125 0.000 1.051 855 T CA 0.774 62.914 62.100 0.068 0.000 1.141 855 T CB 0.236 69.118 68.868 0.023 0.000 0.881 855 T HN 0.716 nan 8.240 nan 0.000 0.461 856 E N 0.145 120.329 120.200 -0.026 0.000 2.381 856 E HA 0.457 4.804 4.350 -0.006 0.000 0.286 856 E C -2.027 174.455 176.600 -0.197 0.000 0.960 856 E CA -0.401 55.989 56.400 -0.018 0.000 0.793 856 E CB 2.104 31.819 29.700 0.025 0.000 1.225 856 E HN -0.115 nan 8.360 nan 0.000 0.420 857 V N 3.898 123.694 119.914 -0.197 0.000 2.459 857 V HA 0.599 4.715 4.120 -0.006 0.000 0.295 857 V C -0.272 175.852 176.094 0.050 0.000 1.029 857 V CA -0.508 61.717 62.300 -0.125 0.000 0.874 857 V CB 1.600 33.308 31.823 -0.191 0.000 0.985 857 V HN 0.596 nan 8.190 nan 0.000 0.438 858 R N 2.959 123.483 120.500 0.040 0.000 2.686 858 R HA 0.832 5.169 4.340 -0.006 0.000 0.283 858 R C -1.703 174.631 176.300 0.056 0.000 0.978 858 R CA -0.710 55.426 56.100 0.059 0.000 0.897 858 R CB 2.621 32.939 30.300 0.030 0.000 1.192 858 R HN 0.492 nan 8.270 nan 0.000 0.457 859 V N 1.387 121.347 119.914 0.076 0.000 2.656 859 V HA 0.753 4.870 4.120 -0.006 0.000 0.307 859 V C -0.640 175.521 176.094 0.112 0.000 1.051 859 V CA -0.833 61.517 62.300 0.084 0.000 0.893 859 V CB 1.847 33.707 31.823 0.061 0.000 0.999 859 V HN 0.928 nan 8.190 nan 0.000 0.426 860 A N 3.264 126.167 122.820 0.139 0.000 2.355 860 A HA 0.821 5.137 4.320 -0.006 0.000 0.317 860 A C -0.645 177.058 177.584 0.200 0.000 1.094 860 A CA -0.584 51.532 52.037 0.132 0.000 0.764 860 A CB 1.436 20.483 19.000 0.078 0.000 1.230 860 A HN 0.855 nan 8.150 nan 0.000 0.448 861 E N 2.272 122.563 120.200 0.152 0.000 2.158 861 E HA 0.339 4.686 4.350 -0.006 0.000 0.271 861 E C -0.675 175.870 176.600 -0.092 0.000 0.911 861 E CA -0.641 55.784 56.400 0.040 0.000 0.767 861 E CB 0.439 30.240 29.700 0.169 0.000 1.120 861 E HN 0.633 nan 8.360 nan 0.000 0.405 862 N N 3.581 122.147 118.700 -0.224 0.000 2.725 862 N HA -0.234 4.503 4.740 -0.006 0.000 0.251 862 N C -0.835 174.638 175.510 -0.062 0.000 1.031 862 N CA 1.242 54.204 53.050 -0.146 0.000 0.720 862 N CB -1.494 36.914 38.487 -0.132 0.000 0.930 862 N HN 0.791 nan 8.380 nan 0.000 0.543 863 N N -1.138 117.540 118.700 -0.037 0.000 2.710 863 N HA -0.252 4.484 4.740 -0.006 0.000 0.249 863 N C -0.403 175.106 175.510 -0.002 0.000 1.059 863 N CA 1.384 54.429 53.050 -0.010 0.000 0.720 863 N CB -0.463 38.018 38.487 -0.009 0.000 0.983 863 N HN 0.647 nan 8.380 nan 0.000 0.544 864 Q N -0.056 119.747 119.800 0.006 0.000 2.193 864 Q HA 0.484 4.820 4.340 -0.006 0.000 0.246 864 Q C -1.976 174.040 176.000 0.027 0.000 0.959 864 Q CA -1.725 54.088 55.803 0.016 0.000 0.904 864 Q CB 0.695 29.446 28.738 0.022 0.000 1.238 864 Q HN 0.135 nan 8.270 nan 0.000 0.469 865 P HA -0.083 nan 4.420 nan 0.000 0.267 865 P C -0.697 176.627 177.300 0.040 0.000 1.201 865 P CA 0.426 63.543 63.100 0.027 0.000 0.775 865 P CB 0.485 32.200 31.700 0.024 0.000 0.854 866 M N 2.497 122.119 119.600 0.036 0.000 2.219 866 M HA 0.115 4.591 4.480 -0.006 0.000 0.353 866 M C 0.493 176.824 176.300 0.052 0.000 1.304 866 M CA 0.541 55.868 55.300 0.046 0.000 1.115 866 M CB -0.326 32.292 32.600 0.031 0.000 1.664 866 M HN 0.286 nan 8.290 nan 0.000 0.459 867 N N 1.678 120.420 118.700 0.070 0.000 2.362 867 N HA 0.481 5.217 4.740 -0.006 0.000 0.298 867 N C -0.604 174.962 175.510 0.093 0.000 1.048 867 N CA -0.388 52.707 53.050 0.075 0.000 0.858 867 N CB 1.785 40.322 38.487 0.084 0.000 1.218 867 N HN 0.692 nan 8.380 nan 0.000 0.488 868 A N 1.216 124.086 122.820 0.085 0.000 2.540 868 A HA 0.013 4.329 4.320 -0.006 0.000 0.239 868 A C -0.187 177.485 177.584 0.146 0.000 1.061 868 A CA 0.434 52.534 52.037 0.104 0.000 0.758 868 A CB -0.341 18.706 19.000 0.078 0.000 0.991 868 A HN 0.800 nan 8.150 nan 0.000 0.502 869 H N 1.224 120.346 119.070 0.088 0.000 2.539 869 H HA 0.444 4.996 4.556 -0.006 0.000 0.332 869 H C 0.954 176.391 175.328 0.181 0.000 1.031 869 H CA 0.104 56.214 56.048 0.104 0.000 1.206 869 H CB 1.570 31.383 29.762 0.085 0.000 1.446 869 H HN 0.539 nan 8.280 nan 0.000 0.496 870 S N 2.642 118.161 115.700 -0.301 0.000 2.478 870 S HA 0.019 4.485 4.470 -0.006 0.000 0.222 870 S C 0.339 174.846 174.600 -0.156 0.000 1.008 870 S CA -0.155 57.973 58.200 -0.121 0.000 0.928 870 S CB 0.016 63.145 63.200 -0.119 0.000 0.781 870 S HN 0.547 nan 8.310 nan 0.000 0.518 871 N N 2.468 120.967 118.700 -0.335 0.000 2.663 871 N HA 0.462 5.199 4.740 -0.006 0.000 0.250 871 N C -0.978 174.669 175.510 0.228 0.000 1.129 871 N CA -0.343 52.652 53.050 -0.093 0.000 0.995 871 N CB -0.064 38.380 38.487 -0.073 0.000 1.324 871 N HN 0.642 nan 8.380 nan 0.000 0.512 872 F N -1.771 118.211 119.950 0.054 0.000 2.629 872 F HA 0.707 5.231 4.527 -0.006 0.000 0.316 872 F C -0.485 175.331 175.800 0.026 0.000 1.081 872 F CA -0.977 57.057 58.000 0.057 0.000 0.954 872 F CB 1.335 40.382 39.000 0.077 0.000 1.337 872 F HN -0.196 nan 8.300 nan 0.000 0.474 873 T N 1.971 116.619 114.554 0.157 0.000 2.847 873 T HA 0.257 4.603 4.350 -0.006 0.000 0.291 873 T C -1.997 172.842 174.700 0.232 0.000 0.998 873 T CA -0.340 61.798 62.100 0.063 0.000 0.967 873 T CB 0.558 69.418 68.868 -0.013 0.000 0.954 873 T HN 0.635 nan 8.240 nan 0.000 0.441 874 Y N 3.554 123.943 120.300 0.148 0.000 2.404 874 Y HA 0.427 4.974 4.550 -0.006 0.000 0.344 874 Y C -0.283 175.635 175.900 0.031 0.000 0.970 874 Y CA -1.564 56.600 58.100 0.107 0.000 1.180 874 Y CB 0.613 39.177 38.460 0.173 0.000 1.138 874 Y HN 0.482 nan 8.280 nan 0.000 0.510 875 D N 5.112 125.206 120.400 -0.510 0.000 2.456 875 D HA 0.305 4.942 4.640 -0.006 0.000 0.219 875 D C 0.618 176.452 176.300 -0.777 0.000 1.126 875 D CA 0.185 53.889 54.000 -0.494 0.000 0.890 875 D CB 1.211 41.854 40.800 -0.262 0.000 1.025 875 D HN 0.737 nan 8.370 nan 0.000 0.511 876 A N 2.769 125.118 122.820 -0.785 0.000 2.014 876 A HA -0.085 4.232 4.320 -0.006 0.000 0.218 876 A C 2.179 179.629 177.584 -0.224 0.000 1.163 876 A CA 0.900 52.616 52.037 -0.535 0.000 0.652 876 A CB -0.061 18.836 19.000 -0.172 0.000 0.808 876 A HN 0.520 nan 8.150 nan 0.000 0.449 877 S N 0.091 115.680 115.700 -0.186 0.000 2.382 877 S HA -0.127 4.340 4.470 -0.006 0.000 0.228 877 S C 1.789 176.331 174.600 -0.096 0.000 1.027 877 S CA 1.605 59.741 58.200 -0.107 0.000 0.991 877 S CB -0.270 62.875 63.200 -0.093 0.000 0.823 877 S HN 0.692 nan 8.310 nan 0.000 0.469 878 N N 0.341 118.962 118.700 -0.131 0.000 2.254 878 N HA 0.094 4.831 4.740 -0.006 0.000 0.190 878 N C -0.407 175.054 175.510 -0.082 0.000 1.107 878 N CA 0.019 53.012 53.050 -0.096 0.000 0.869 878 N CB 0.105 38.530 38.487 -0.104 0.000 0.983 878 N HN 0.245 nan 8.380 nan 0.000 0.487 879 Q N -1.132 118.593 119.800 -0.124 0.000 2.487 879 Q HA -0.138 4.199 4.340 -0.006 0.000 0.279 879 Q C -1.128 174.841 176.000 -0.052 0.000 1.228 879 Q CA 0.276 56.054 55.803 -0.043 0.000 0.873 879 Q CB -2.227 26.542 28.738 0.053 0.000 1.260 879 Q HN 0.022 nan 8.270 nan 0.000 0.471 880 V N 1.228 121.057 119.914 -0.143 0.000 2.448 880 V HA 0.551 4.668 4.120 -0.006 0.000 0.295 880 V C -0.348 175.701 176.094 -0.075 0.000 1.025 880 V CA -0.883 61.338 62.300 -0.131 0.000 0.859 880 V CB 1.705 33.435 31.823 -0.154 0.000 0.988 880 V HN 0.273 nan 8.190 nan 0.000 0.431 881 L N 6.213 127.393 121.223 -0.072 0.000 2.287 881 L HA 0.669 5.006 4.340 -0.006 0.000 0.287 881 L C -0.855 175.932 176.870 -0.138 0.000 1.022 881 L CA -0.313 54.503 54.840 -0.041 0.000 0.814 881 L CB 1.374 43.294 42.059 -0.232 0.000 1.217 881 L HN 0.626 nan 8.230 nan 0.000 0.420 882 L N 6.931 128.128 121.223 -0.043 0.000 2.280 882 L HA 0.592 4.929 4.340 -0.006 0.000 0.287 882 L C -0.966 175.911 176.870 0.011 0.000 1.023 882 L CA 0.019 54.824 54.840 -0.059 0.000 0.819 882 L CB 0.875 42.909 42.059 -0.041 0.000 1.212 882 L HN 0.559 nan 8.230 nan 0.000 0.420 883 I N 5.669 126.205 120.570 -0.056 0.000 2.330 883 I HA 0.674 4.841 4.170 -0.006 0.000 0.289 883 I C 0.127 176.240 176.117 -0.007 0.000 1.001 883 I CA -0.288 61.013 61.300 0.002 0.000 1.193 883 I CB 1.427 39.344 38.000 -0.138 0.000 1.345 883 I HN 0.786 nan 8.210 nan 0.000 0.461 884 A N 3.994 126.883 122.820 0.115 0.000 2.350 884 A HA 0.625 4.942 4.320 -0.006 0.000 0.318 884 A C -0.123 177.559 177.584 0.163 0.000 1.132 884 A CA -0.460 51.624 52.037 0.078 0.000 0.811 884 A CB 0.777 19.807 19.000 0.050 0.000 1.313 884 A HN 0.820 nan 8.150 nan 0.000 0.454 885 D N -0.695 119.754 120.400 0.081 0.000 2.837 885 D HA -0.140 4.497 4.640 -0.006 0.000 0.230 885 D C -0.248 176.140 176.300 0.147 0.000 1.152 885 D CA 1.007 55.065 54.000 0.096 0.000 0.736 885 D CB -1.718 39.135 40.800 0.089 0.000 1.084 885 D HN 0.470 nan 8.370 nan 0.000 0.429 886 L N -0.628 120.609 121.223 0.024 0.000 2.453 886 L HA 0.290 4.627 4.340 -0.006 0.000 0.261 886 L C 1.067 177.897 176.870 -0.066 0.000 1.179 886 L CA -0.044 54.749 54.840 -0.078 0.000 0.813 886 L CB 0.544 42.471 42.059 -0.219 0.000 1.110 886 L HN -0.154 nan 8.230 nan 0.000 0.466 887 K N 2.681 123.028 120.400 -0.089 0.000 2.753 887 K HA 0.391 4.708 4.320 -0.006 0.000 0.185 887 K C -1.440 175.057 176.600 -0.172 0.000 1.071 887 K CA -0.059 56.174 56.287 -0.090 0.000 0.999 887 K CB 0.130 32.617 32.500 -0.022 0.000 1.244 887 K HN 0.426 nan 8.250 nan 0.000 0.594 888 L N 3.059 124.089 121.223 -0.321 0.000 2.314 888 L HA 0.405 4.742 4.340 -0.006 0.000 0.275 888 L C -0.390 176.337 176.870 -0.238 0.000 1.068 888 L CA -0.931 53.447 54.840 -0.770 0.000 0.894 888 L CB 0.445 41.830 42.059 -1.124 0.000 1.275 888 L HN 0.430 nan 8.230 nan 0.000 0.432 889 N N 2.095 120.878 118.700 0.139 0.000 2.492 889 N HA 0.205 4.942 4.740 -0.006 0.000 0.262 889 N C -0.335 175.377 175.510 0.336 0.000 1.202 889 N CA -0.445 52.711 53.050 0.176 0.000 0.926 889 N CB 0.673 39.262 38.487 0.170 0.000 1.078 889 N HN 0.286 nan 8.380 nan 0.000 0.454 890 L N 1.788 123.099 121.223 0.146 0.000 2.525 890 L HA 0.146 4.482 4.340 -0.006 0.000 0.278 890 L C 1.614 178.673 176.870 0.314 0.000 1.218 890 L CA 1.254 56.275 54.840 0.303 0.000 0.878 890 L CB -0.154 41.983 42.059 0.130 0.000 1.127 890 L HN 0.879 nan 8.230 nan 0.000 0.492 891 G N 2.512 111.552 108.800 0.400 0.000 2.231 891 G HA2 -0.172 3.785 3.960 -0.006 0.000 0.206 891 G HA3 -0.172 3.785 3.960 -0.006 0.000 0.206 891 G C 0.493 175.459 174.900 0.110 0.000 0.996 891 G CA -0.243 44.953 45.100 0.161 0.000 0.645 891 G HN 0.517 nan 8.290 nan 0.000 0.498 892 R N -0.165 120.466 120.500 0.219 0.000 2.892 892 R HA 0.580 4.917 4.340 -0.006 0.000 0.265 892 R C -1.033 175.203 176.300 -0.107 0.000 1.025 892 R CA -1.024 55.047 56.100 -0.048 0.000 0.982 892 R CB 0.866 31.033 30.300 -0.223 0.000 1.185 892 R HN 0.097 nan 8.270 nan 0.000 0.484 893 N N 0.799 119.292 118.700 -0.345 0.000 2.473 893 N HA 0.455 5.191 4.740 -0.006 0.000 0.291 893 N C -1.174 174.027 175.510 -0.516 0.000 1.083 893 N CA 0.066 53.000 53.050 -0.194 0.000 0.951 893 N CB 0.956 39.397 38.487 -0.076 0.000 1.164 893 N HN 0.270 nan 8.380 nan 0.000 0.480 894 F N -0.760 119.305 119.950 0.191 0.000 2.626 894 F HA 0.461 4.985 4.527 -0.006 0.000 0.311 894 F C 0.327 176.184 175.800 0.094 0.000 1.088 894 F CA -0.845 57.230 58.000 0.125 0.000 0.949 894 F CB 1.946 41.016 39.000 0.116 0.000 1.322 894 F HN 0.179 nan 8.300 nan 0.000 0.461 895 S N 1.070 116.927 115.700 0.261 0.000 2.557 895 S HA 0.834 5.301 4.470 -0.006 0.000 0.291 895 S C -1.819 172.853 174.600 0.119 0.000 1.116 895 S CA -0.477 57.813 58.200 0.149 0.000 0.992 895 S CB 1.330 64.580 63.200 0.083 0.000 1.028 895 S HN 0.414 nan 8.310 nan 0.000 0.484 896 V N 5.392 125.361 119.914 0.091 0.000 2.483 896 V HA 0.503 4.620 4.120 -0.006 0.000 0.297 896 V C -0.526 175.614 176.094 0.078 0.000 1.027 896 V CA -0.636 61.721 62.300 0.095 0.000 0.855 896 V CB 1.559 33.444 31.823 0.104 0.000 0.995 896 V HN 0.881 nan 8.190 nan 0.000 0.424 897 Q N 3.597 123.409 119.800 0.020 0.000 2.309 897 Q HA 0.652 4.988 4.340 -0.006 0.000 0.264 897 Q C -1.083 174.920 176.000 0.006 0.000 1.008 897 Q CA -0.584 55.134 55.803 -0.142 0.000 0.853 897 Q CB 2.768 31.410 28.738 -0.159 0.000 1.314 897 Q HN 0.827 nan 8.270 nan 0.000 0.448 898 W N 0.000 121.201 121.300 -0.164 0.000 2.388 898 W HA 0.000 4.657 4.660 -0.006 0.000 0.303 898 W CA 0.000 57.205 57.345 -0.233 0.000 1.226 898 W CB 0.000 29.289 29.460 -0.286 0.000 1.126 898 W HN 0.000 nan 8.180 nan 0.000 0.535