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 1hty_1_A DATA FIRST_RESID 31 DATA SEQUENCE cQDVVQDVPN VDVQXLELYD RXSFKDIDGG VWKQGWNIKY DPLKYNAHHK DATA SEQUENCE LKVFVVPHSH NDPGWIQTFE EYYQHDTKHI LSNALRHLHD NPEXKFIWAE DATA SEQUENCE ISYFARFYHD LGENKKLQXK SIVKNGQLEF VTGGWVXPDE ANSHWRNVLL DATA SEQUENCE QLTEGQTWLK QFXNVTPTAS WAIDPFGHSP TXPYILQKSG FKNMLIQRTH DATA SEQUENCE YSVKKELAQQ RQLEFLWRQI WDNKGDTALF THXXPFYSYD IPHTcGPDPK DATA SEQUENCE VccQFDFKRX GSFGLScPWK VPPRTISDQN VAARSDLLVD QWKKKAELYR DATA SEQUENCE TNVLLIPLGD DFRFKQNTEW DVQRVNYERL FEHINSQAHF NVQAQFGTLQ DATA SEQUENCE EYFDAVHQAE RAGQAEFPTL SGDFFTYADR SDNYWSGYYT SRPYHKRXDR DATA SEQUENCE VLXHYVRAAE XLSAWHSWDG MARIEERLEQ ARRELSLFQH HDGITGTAKT DATA SEQUENCE HVVVDYEQRX QEALKACQXV XQQSVYRLLT KPSIYSPDFS FSYFTLDDSR DATA SEQUENCE WPGSGVEDSR TTIILGEDIL PSKHVVXHNT LPHWREQLVD FYVSSPFVSV DATA SEQUENCE TDLANNPVEA QVSPVWSWHH DTLTKTIHPQ GSTTKYRIIF KARVPPXGLA DATA SEQUENCE TYVLTISDSK PEHTSYASNL LLRKNPTSLP LGQYPEDVKF GDPREISLRV DATA SEQUENCE GNGPTLAFSE QGLLKSIQLT QDSPHVPVHF KFLKYGVRSH GDRSGAYLFL DATA SEQUENCE PNGPASPVEL GQPVVLVTKG KLESSVSVGL PSVVHQTIXR GGAPEIRNLV DATA SEQUENCE DIGSLDNTEI VXRLETHIDS GDIFYTDLNG LQFIKRRRLD KLPLQANYYP DATA SEQUENCE IPSGXFIEDA NTRLTLLTGQ PLGGSSLASG ELEIXQDRRL ASDDERGLGQ DATA SEQUENCE GVLDNKPVLH IYRLVLEKVN NcVRPSKLHP AGYLTSAAHK ASQSLLDPLD DATA SEQUENCE KFIFAENEWI GAQGQFGGDH PSAREDLDVS VXRRLTKSSA KTQRVGYVLH DATA SEQUENCE RTNLXQcGTP EEHTQKLDVc HLLPNVARcE RTTLTFLQNL EHLDGXVAPE DATA SEQUENCE VcPXETAAYV SSHS 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 31 c HA 0.000 nan 4.570 nan 0.000 0.325 31 c C 0.000 174.106 174.090 0.026 0.000 1.270 31 c CA 0.000 56.339 56.329 0.017 0.000 1.963 31 c CB 0.000 42.508 42.510 -0.004 0.000 2.134 32 Q N 1.305 121.137 119.800 0.052 0.000 2.373 32 Q HA 0.188 4.528 4.340 -0.001 0.000 0.255 32 Q C -0.298 175.736 176.000 0.057 0.000 0.980 32 Q CA 0.226 56.075 55.803 0.076 0.000 0.882 32 Q CB 0.846 29.666 28.738 0.136 0.000 1.249 32 Q HN 0.647 nan 8.270 nan 0.000 0.438 33 D N 1.655 122.090 120.400 0.059 0.000 2.339 33 D HA 0.064 4.703 4.640 -0.001 0.000 0.241 33 D C 0.469 176.820 176.300 0.086 0.000 1.183 33 D CA -0.284 53.733 54.000 0.028 0.000 0.859 33 D CB 1.226 42.041 40.800 0.026 0.000 1.067 33 D HN 0.381 nan 8.370 nan 0.000 0.484 34 V N 2.254 122.179 119.914 0.017 0.000 3.633 34 V HA 0.086 4.206 4.120 -0.001 0.000 0.283 34 V C 1.028 177.173 176.094 0.085 0.000 1.305 34 V CA 0.160 62.533 62.300 0.122 0.000 1.153 34 V CB 0.063 31.800 31.823 -0.143 0.000 0.950 34 V HN 0.385 nan 8.190 nan 0.000 0.432 35 V N 0.001 119.888 119.914 -0.045 0.000 2.911 35 V HA 0.087 4.206 4.120 -0.001 0.000 0.237 35 V C 2.248 178.340 176.094 -0.004 0.000 1.156 35 V CA 1.157 63.387 62.300 -0.116 0.000 1.180 35 V CB 0.061 31.755 31.823 -0.215 0.000 0.932 35 V HN 0.494 nan 8.190 nan 0.000 0.483 36 Q N -0.034 119.798 119.800 0.054 0.000 2.392 36 Q HA 0.130 4.469 4.340 -0.001 0.000 0.203 36 Q C -0.505 175.581 176.000 0.143 0.000 0.917 36 Q CA 0.324 56.180 55.803 0.088 0.000 0.939 36 Q CB 0.489 29.250 28.738 0.038 0.000 1.063 36 Q HN 0.499 nan 8.270 nan 0.000 0.516 37 D N 1.354 121.870 120.400 0.193 0.000 2.441 37 D HA 0.171 4.810 4.640 -0.001 0.000 0.231 37 D C -0.713 175.694 176.300 0.179 0.000 1.073 37 D CA -0.271 53.826 54.000 0.160 0.000 0.850 37 D CB 2.076 42.948 40.800 0.120 0.000 1.062 37 D HN -0.156 nan 8.370 nan 0.000 0.524 38 V N 4.486 124.472 119.914 0.120 0.000 2.446 38 V HA 0.107 4.227 4.120 -0.001 0.000 0.276 38 V C -1.854 174.214 176.094 -0.042 0.000 1.030 38 V CA -1.095 61.194 62.300 -0.019 0.000 1.033 38 V CB 0.314 32.135 31.823 -0.003 0.000 0.993 38 V HN 0.287 nan 8.190 nan 0.000 0.477 39 P HA 0.065 nan 4.420 nan 0.000 0.266 39 P C -0.432 176.838 177.300 -0.050 0.000 1.195 39 P CA -0.065 63.002 63.100 -0.055 0.000 0.768 39 P CB 0.342 31.992 31.700 -0.083 0.000 0.838 40 N N 2.749 121.436 118.700 -0.023 0.000 2.485 40 N HA 0.345 5.085 4.740 -0.001 0.000 0.243 40 N C -1.078 174.423 175.510 -0.015 0.000 0.987 40 N CA -0.512 52.528 53.050 -0.017 0.000 0.940 40 N CB 0.135 38.620 38.487 -0.002 0.000 1.122 40 N HN 0.108 nan 8.380 nan 0.000 0.509 41 V N 0.439 120.336 119.914 -0.027 0.000 2.960 41 V HA 0.540 4.659 4.120 -0.001 0.000 0.315 41 V C 0.574 176.652 176.094 -0.025 0.000 1.087 41 V CA -0.728 61.559 62.300 -0.022 0.000 0.982 41 V CB 2.047 33.846 31.823 -0.040 0.000 1.039 41 V HN 0.396 nan 8.190 nan 0.000 0.437 42 D N 1.071 121.463 120.400 -0.013 0.000 2.144 42 D HA 0.014 4.654 4.640 -0.001 0.000 0.200 42 D C 0.496 176.766 176.300 -0.050 0.000 0.978 42 D CA 1.624 55.614 54.000 -0.017 0.000 0.833 42 D CB 0.456 41.262 40.800 0.011 0.000 0.961 42 D HN 0.436 nan 8.370 nan 0.000 0.470 43 V N 1.573 121.435 119.914 -0.086 0.000 2.525 43 V HA 0.232 4.352 4.120 -0.001 0.000 0.299 43 V C -0.027 175.969 176.094 -0.162 0.000 1.034 43 V CA -0.728 61.491 62.300 -0.135 0.000 0.863 43 V CB 2.470 34.169 31.823 -0.206 0.000 0.999 43 V HN -0.066 nan 8.190 nan 0.000 0.423 47 E N 0.413 120.593 120.200 -0.034 0.000 2.072 47 E HA -0.163 4.187 4.350 -0.001 0.000 0.191 47 E C 1.927 178.540 176.600 0.022 0.000 0.985 47 E CA 1.849 58.243 56.400 -0.010 0.000 0.801 47 E CB 0.003 29.683 29.700 -0.034 0.000 0.750 47 E HN 0.414 nan 8.360 nan 0.000 0.452 48 L N 0.419 121.655 121.223 0.021 0.000 2.046 48 L HA -0.172 4.167 4.340 -0.001 0.000 0.208 48 L C 2.244 179.182 176.870 0.112 0.000 1.077 48 L CA 1.613 56.472 54.840 0.031 0.000 0.747 48 L CB -0.932 41.133 42.059 0.009 0.000 0.896 48 L HN 0.116 nan 8.230 nan 0.000 0.432 49 Y N -0.095 120.208 120.300 0.005 0.000 2.224 49 Y HA -0.246 4.303 4.550 -0.001 0.000 0.289 49 Y C 2.535 178.532 175.900 0.161 0.000 1.146 49 Y CA 1.712 59.903 58.100 0.152 0.000 1.182 49 Y CB -0.558 37.994 38.460 0.153 0.000 0.983 49 Y HN 0.345 nan 8.280 nan 0.000 0.524 50 D N -0.375 120.140 120.400 0.192 0.000 2.144 50 D HA -0.090 4.549 4.640 -0.001 0.000 0.200 50 D C 0.909 177.252 176.300 0.071 0.000 0.978 50 D CA 0.770 54.835 54.000 0.109 0.000 0.833 50 D CB 0.141 40.977 40.800 0.061 0.000 0.961 50 D HN 0.180 nan 8.370 nan 0.000 0.470 54 F N 2.185 122.065 119.950 -0.117 0.000 3.100 54 F HA -0.200 4.326 4.527 -0.001 0.000 0.283 54 F C 0.279 176.094 175.800 0.025 0.000 0.900 54 F CA 0.440 58.378 58.000 -0.103 0.000 1.010 54 F CB -1.234 37.677 39.000 -0.149 0.000 1.029 54 F HN 0.037 nan 8.300 nan 0.000 0.637 55 K N 1.151 121.635 120.400 0.139 0.000 2.368 55 K HA 0.131 4.450 4.320 -0.001 0.000 0.282 55 K C 0.283 176.996 176.600 0.187 0.000 1.035 55 K CA -0.086 56.284 56.287 0.138 0.000 0.973 55 K CB 0.586 33.128 32.500 0.069 0.000 0.957 55 K HN 0.104 nan 8.250 nan 0.000 0.474 56 D N 3.889 124.412 120.400 0.204 0.000 2.557 56 D HA 0.157 4.796 4.640 -0.001 0.000 0.236 56 D C -0.147 176.195 176.300 0.069 0.000 1.154 56 D CA -0.483 53.637 54.000 0.199 0.000 0.985 56 D CB -0.497 40.429 40.800 0.211 0.000 1.010 56 D HN 0.475 nan 8.370 nan 0.000 0.516 57 I N -1.404 119.194 120.570 0.046 0.000 2.577 57 I HA 0.504 4.674 4.170 -0.001 0.000 0.305 57 I C 0.045 176.148 176.117 -0.023 0.000 0.986 57 I CA -1.007 60.298 61.300 0.009 0.000 1.189 57 I CB 1.516 39.522 38.000 0.011 0.000 1.355 57 I HN -0.121 nan 8.210 nan 0.000 0.476 58 D N 4.030 124.415 120.400 -0.024 0.000 2.342 58 D HA 0.169 4.809 4.640 -0.001 0.000 0.260 58 D C 0.977 177.261 176.300 -0.027 0.000 1.278 58 D CA 0.061 54.041 54.000 -0.033 0.000 0.910 58 D CB 1.384 42.172 40.800 -0.020 0.000 1.079 58 D HN 0.819 nan 8.370 nan 0.000 0.496 59 G N 2.431 111.197 108.800 -0.056 0.000 3.088 59 G HA2 0.439 4.399 3.960 -0.001 0.000 0.212 59 G HA3 0.439 4.399 3.960 -0.001 0.000 0.212 59 G C 0.879 175.780 174.900 0.001 0.000 1.173 59 G CA 0.336 45.409 45.100 -0.045 0.000 0.779 59 G HN 0.915 nan 8.290 nan 0.000 0.540 60 G N -0.632 108.173 108.800 0.007 0.000 2.418 60 G HA2 -0.115 3.844 3.960 -0.001 0.000 0.206 60 G HA3 -0.115 3.844 3.960 -0.001 0.000 0.206 60 G C 1.157 176.077 174.900 0.033 0.000 1.202 60 G CA 0.596 45.713 45.100 0.028 0.000 1.061 60 G HN 1.072 nan 8.290 nan 0.000 0.563 61 V N -3.647 116.285 119.914 0.029 0.000 2.469 61 V HA 0.054 4.173 4.120 -0.001 0.000 0.251 61 V C 1.433 177.547 176.094 0.033 0.000 1.064 61 V CA 2.473 64.769 62.300 -0.006 0.000 1.066 61 V CB -0.543 31.243 31.823 -0.062 0.000 0.667 61 V HN 1.441 nan 8.190 nan 0.000 0.461 62 W N 2.577 123.781 121.300 -0.160 0.000 2.226 62 W HA 0.472 5.132 4.660 -0.001 0.000 0.379 62 W C 1.092 177.565 176.519 -0.077 0.000 0.923 62 W CA -2.006 55.231 57.345 -0.180 0.000 1.524 62 W CB 0.200 29.520 29.460 -0.232 0.000 1.552 62 W HN 0.014 nan 8.180 nan 0.000 0.337 63 K N 2.406 122.881 120.400 0.124 0.000 2.127 63 K HA -0.230 4.089 4.320 -0.001 0.000 0.208 63 K C 0.899 177.416 176.600 -0.139 0.000 1.047 63 K CA 1.707 57.983 56.287 -0.019 0.000 0.927 63 K CB -0.031 32.453 32.500 -0.026 0.000 0.716 63 K HN 0.582 nan 8.250 nan 0.000 0.450 64 Q N -0.843 118.835 119.800 -0.204 0.000 2.188 64 Q HA 0.188 4.527 4.340 -0.001 0.000 0.212 64 Q C 0.863 176.496 176.000 -0.612 0.000 0.846 64 Q CA -0.214 55.441 55.803 -0.248 0.000 0.989 64 Q CB 1.237 29.963 28.738 -0.020 0.000 1.114 64 Q HN 0.260 nan 8.270 nan 0.000 0.488 65 G N 0.645 108.661 108.800 -1.307 0.000 3.364 65 G HA2 0.525 4.484 3.960 -0.001 0.000 0.191 65 G HA3 0.525 4.484 3.960 -0.001 0.000 0.191 65 G C -1.443 173.133 174.900 -0.541 0.000 1.352 65 G CA -0.275 43.753 45.100 -1.787 0.000 0.758 65 G HN 0.357 nan 8.290 nan 0.000 0.730 66 W N -1.265 119.743 121.300 -0.487 0.000 2.959 66 W HA 0.612 5.271 4.660 -0.001 0.000 0.358 66 W C -1.454 175.154 176.519 0.148 0.000 1.228 66 W CA -1.163 56.126 57.345 -0.093 0.000 1.183 66 W CB 0.617 30.037 29.460 -0.067 0.000 1.467 66 W HN 0.195 nan 8.180 nan 0.000 0.578 67 N N 2.315 121.179 118.700 0.274 0.000 2.402 67 N HA 0.199 4.938 4.740 -0.001 0.000 0.259 67 N C -0.220 175.435 175.510 0.241 0.000 1.167 67 N CA 0.067 53.226 53.050 0.180 0.000 0.949 67 N CB 0.402 38.989 38.487 0.166 0.000 1.212 67 N HN 0.400 nan 8.380 nan 0.000 0.493 68 I N 2.107 122.714 120.570 0.061 0.000 2.618 68 I HA -0.010 4.160 4.170 -0.001 0.000 0.284 68 I C 0.825 177.093 176.117 0.252 0.000 1.146 68 I CA 0.450 61.859 61.300 0.181 0.000 1.425 68 I CB 0.392 38.444 38.000 0.087 0.000 1.383 68 I HN 0.117 nan 8.210 nan 0.000 0.562 69 K N 6.303 126.887 120.400 0.307 0.000 2.318 69 K HA 0.595 4.914 4.320 -0.001 0.000 0.249 69 K C -1.352 175.398 176.600 0.251 0.000 0.942 69 K CA -0.747 55.646 56.287 0.177 0.000 0.808 69 K CB 2.417 34.993 32.500 0.127 0.000 1.189 69 K HN 0.490 nan 8.250 nan 0.000 0.428 70 Y N -1.759 118.631 120.300 0.150 0.000 2.588 70 Y HA 0.421 4.971 4.550 -0.001 0.000 0.343 70 Y C -1.214 174.761 175.900 0.125 0.000 1.065 70 Y CA -1.621 56.570 58.100 0.151 0.000 1.038 70 Y CB 1.193 39.763 38.460 0.183 0.000 1.297 70 Y HN 0.434 nan 8.280 nan 0.000 0.467 71 D N 4.449 125.036 120.400 0.312 0.000 2.347 71 D HA 0.311 4.950 4.640 -0.001 0.000 0.235 71 D C -1.586 174.912 176.300 0.331 0.000 1.149 71 D CA -2.727 51.392 54.000 0.200 0.000 0.850 71 D CB 1.425 42.298 40.800 0.121 0.000 1.061 71 D HN 0.420 nan 8.370 nan 0.000 0.487 72 P HA -0.166 nan 4.420 nan 0.000 0.218 72 P C 1.282 178.739 177.300 0.262 0.000 1.146 72 P CA 0.855 64.178 63.100 0.373 0.000 0.813 72 P CB 0.303 32.154 31.700 0.251 0.000 0.778 73 L N -0.729 120.595 121.223 0.169 0.000 2.599 73 L HA 0.067 4.407 4.340 -0.001 0.000 0.230 73 L C 2.704 179.616 176.870 0.071 0.000 1.141 73 L CA 0.426 55.334 54.840 0.113 0.000 0.877 73 L CB -0.689 41.413 42.059 0.071 0.000 1.009 73 L HN -0.021 nan 8.230 nan 0.000 0.447 74 K N 0.480 120.916 120.400 0.059 0.000 2.097 74 K HA -0.131 4.188 4.320 -0.001 0.000 0.206 74 K C -0.093 176.348 176.600 -0.265 0.000 1.049 74 K CA 1.140 57.340 56.287 -0.146 0.000 0.933 74 K CB 0.111 32.488 32.500 -0.206 0.000 0.717 74 K HN 0.111 nan 8.250 nan 0.000 0.442 75 Y N 0.922 121.333 120.300 0.185 0.000 2.387 75 Y HA 0.264 4.814 4.550 -0.000 0.000 0.336 75 Y C 0.258 176.246 175.900 0.146 0.000 1.067 75 Y CA -1.033 57.197 58.100 0.217 0.000 1.114 75 Y CB 1.380 39.932 38.460 0.154 0.000 1.208 75 Y HN 0.198 nan 8.280 nan 0.000 0.458 76 N N 0.296 119.161 118.700 0.275 0.000 3.243 76 N HA 0.335 5.074 4.740 -0.001 0.000 0.280 76 N C 0.180 175.727 175.510 0.062 0.000 1.545 76 N CA -0.252 52.880 53.050 0.137 0.000 0.854 76 N CB 0.991 39.536 38.487 0.097 0.000 1.612 76 N HN 0.606 nan 8.380 nan 0.000 0.577 77 A N -0.233 122.536 122.820 -0.085 0.000 1.986 77 A HA -0.206 4.114 4.320 -0.001 0.000 0.220 77 A C 1.236 178.711 177.584 -0.181 0.000 1.171 77 A CA 1.476 53.397 52.037 -0.193 0.000 0.640 77 A CB -1.117 17.675 19.000 -0.347 0.000 0.811 77 A HN 0.696 nan 8.150 nan 0.000 0.451 78 H N -2.547 116.577 119.070 0.090 0.000 2.553 78 H HA 0.107 4.663 4.556 -0.001 0.000 0.265 78 H C 0.043 175.468 175.328 0.162 0.000 0.964 78 H CA 0.816 56.921 56.048 0.095 0.000 1.156 78 H CB 0.147 29.956 29.762 0.078 0.000 1.411 78 H HN 0.669 nan 8.280 nan 0.000 0.558 79 H N 0.753 119.910 119.070 0.144 0.000 2.895 79 H HA 0.235 4.791 4.556 -0.000 0.000 0.282 79 H C -0.761 174.711 175.328 0.241 0.000 1.338 79 H CA -0.274 55.866 56.048 0.154 0.000 1.595 79 H CB 0.597 30.424 29.762 0.108 0.000 1.771 79 H HN 0.111 nan 8.280 nan 0.000 0.573 80 K N 2.398 122.791 120.400 -0.011 0.000 2.087 80 K HA 0.256 4.576 4.320 -0.001 0.000 0.255 80 K C -0.359 176.139 176.600 -0.170 0.000 0.988 80 K CA -1.163 55.113 56.287 -0.019 0.000 0.915 80 K CB 1.993 34.446 32.500 -0.078 0.000 1.043 80 K HN 0.143 nan 8.250 nan 0.000 0.457 81 L N 2.209 123.198 121.223 -0.389 0.000 2.260 81 L HA 0.187 4.526 4.340 -0.001 0.000 0.289 81 L C -0.915 175.713 176.870 -0.404 0.000 1.057 81 L CA 0.146 54.627 54.840 -0.599 0.000 0.811 81 L CB 0.301 41.773 42.059 -0.978 0.000 1.184 81 L HN 0.382 nan 8.230 nan 0.000 0.429 82 K N 4.685 124.875 120.400 -0.349 0.000 2.248 82 K HA 0.515 4.834 4.320 -0.001 0.000 0.281 82 K C -1.115 175.168 176.600 -0.527 0.000 1.054 82 K CA -0.557 55.472 56.287 -0.430 0.000 0.903 82 K CB 1.485 33.782 32.500 -0.338 0.000 1.077 82 K HN 0.407 nan 8.250 nan 0.000 0.474 83 V N 4.766 124.250 119.914 -0.717 0.000 2.417 83 V HA 0.372 4.491 4.120 -0.001 0.000 0.291 83 V C -0.794 174.775 176.094 -0.875 0.000 1.024 83 V CA -0.789 61.036 62.300 -0.790 0.000 0.861 83 V CB 0.624 31.791 31.823 -1.093 0.000 0.985 83 V HN 0.563 nan 8.190 nan 0.000 0.436 84 F N 3.541 123.236 119.950 -0.424 0.000 2.375 84 F HA 0.492 5.019 4.527 -0.001 0.000 0.361 84 F C 0.157 175.775 175.800 -0.305 0.000 1.117 84 F CA -0.744 57.063 58.000 -0.322 0.000 1.037 84 F CB 1.793 40.673 39.000 -0.201 0.000 1.192 84 F HN 0.193 nan 8.300 nan 0.000 0.452 85 V N 5.199 125.074 119.914 -0.066 0.000 2.385 85 V HA 0.242 4.362 4.120 -0.001 0.000 0.269 85 V C -0.176 176.009 176.094 0.152 0.000 1.043 85 V CA -0.613 61.712 62.300 0.043 0.000 0.906 85 V CB 1.159 33.090 31.823 0.180 0.000 0.995 85 V HN 0.427 nan 8.190 nan 0.000 0.467 86 V N 8.372 128.324 119.914 0.063 0.000 2.294 86 V HA 0.304 4.423 4.120 -0.001 0.000 0.272 86 V C -2.340 173.783 176.094 0.047 0.000 1.027 86 V CA -1.991 60.314 62.300 0.008 0.000 0.823 86 V CB 1.296 33.029 31.823 -0.151 0.000 1.030 86 V HN 0.712 nan 8.190 nan 0.000 0.457 87 P HA 0.297 nan 4.420 nan 0.000 0.271 87 P C -0.806 176.468 177.300 -0.043 0.000 1.216 87 P CA 0.312 63.372 63.100 -0.068 0.000 0.771 87 P CB 0.304 31.791 31.700 -0.355 0.000 0.864 88 H N -0.919 118.133 119.070 -0.030 0.000 2.990 88 H HA 0.796 5.351 4.556 -0.001 0.000 0.336 88 H C -1.437 173.990 175.328 0.166 0.000 1.306 88 H CA -1.148 54.790 56.048 -0.184 0.000 1.118 88 H CB 1.057 30.662 29.762 -0.262 0.000 1.856 88 H HN 0.179 nan 8.280 nan 0.000 0.538 89 S N 0.655 116.376 115.700 0.035 0.000 2.776 89 S HA 0.201 4.670 4.470 -0.001 0.000 0.284 89 S C -1.795 172.735 174.600 -0.117 0.000 1.160 89 S CA -0.667 57.596 58.200 0.105 0.000 1.051 89 S CB 0.138 63.584 63.200 0.411 0.000 1.037 89 S HN 0.823 nan 8.310 nan 0.000 0.485 90 H N 4.204 123.173 119.070 -0.169 0.000 2.864 90 H HA 0.465 5.021 4.556 -0.001 0.000 0.281 90 H C -0.606 174.308 175.328 -0.690 0.000 1.093 90 H CA 0.210 56.059 56.048 -0.331 0.000 1.453 90 H CB 0.122 29.720 29.762 -0.275 0.000 1.462 90 H HN 0.505 nan 8.280 nan 0.000 0.480 91 N N 4.691 122.731 118.700 -1.101 0.000 2.558 91 N HA 0.123 4.862 4.740 -0.001 0.000 0.242 91 N C -1.284 173.782 175.510 -0.740 0.000 0.979 91 N CA -0.637 51.640 53.050 -1.288 0.000 0.931 91 N CB 0.900 38.913 38.487 -0.789 0.000 1.122 91 N HN 0.550 nan 8.380 nan 0.000 0.508 92 D N 2.309 122.319 120.400 -0.649 0.000 2.343 92 D HA 0.095 4.734 4.640 -0.001 0.000 0.255 92 D C -2.032 174.334 176.300 0.110 0.000 1.187 92 D CA -1.015 52.883 54.000 -0.169 0.000 0.875 92 D CB 1.224 42.174 40.800 0.251 0.000 1.136 92 D HN 0.250 nan 8.370 nan 0.000 0.469 93 P HA 0.191 nan 4.420 nan 0.000 0.226 93 P C -0.089 177.404 177.300 0.322 0.000 1.783 93 P CA 0.029 63.118 63.100 -0.019 0.000 0.980 93 P CB 0.195 31.737 31.700 -0.263 0.000 1.967 94 G N 0.148 109.332 108.800 0.641 0.000 2.906 94 G HA2 0.028 3.988 3.960 -0.001 0.000 0.686 94 G HA3 0.028 3.988 3.960 -0.001 0.000 0.686 94 G C -1.112 174.342 174.900 0.924 0.000 1.170 94 G CA -0.656 44.868 45.100 0.706 0.000 0.775 94 G HN 0.337 nan 8.290 nan 0.000 0.630 95 W N 1.863 123.515 121.300 0.587 0.000 4.511 95 W HA 0.201 4.861 4.660 -0.001 0.000 0.159 95 W C 1.654 178.357 176.519 0.306 0.000 3.471 95 W CA 1.258 58.905 57.345 0.504 0.000 1.173 95 W CB -0.854 28.983 29.460 0.627 0.000 2.090 95 W HN 0.967 nan 8.180 nan 0.000 0.393 96 I N 0.786 121.300 120.570 -0.093 0.000 3.860 96 I HA 0.356 4.525 4.170 -0.001 0.000 0.319 96 I C 0.135 176.118 176.117 -0.223 0.000 1.279 96 I CA 0.480 61.556 61.300 -0.374 0.000 1.220 96 I CB 0.085 37.764 38.000 -0.535 0.000 1.027 96 I HN -0.018 nan 8.210 nan 0.000 0.428 97 Q N 1.385 120.935 119.800 -0.416 0.000 2.456 97 Q HA 0.375 4.714 4.340 -0.001 0.000 0.283 97 Q C -0.426 175.315 176.000 -0.431 0.000 1.084 97 Q CA -0.770 54.702 55.803 -0.552 0.000 0.801 97 Q CB 2.478 30.538 28.738 -1.130 0.000 1.434 97 Q HN 0.350 nan 8.270 nan 0.000 0.419 98 T N -2.122 112.289 114.554 -0.239 0.000 2.788 98 T HA 0.165 4.515 4.350 -0.001 0.000 0.287 98 T C 0.807 175.583 174.700 0.128 0.000 1.007 98 T CA -0.442 61.600 62.100 -0.098 0.000 1.005 98 T CB 0.321 69.161 68.868 -0.047 0.000 1.012 98 T HN 0.572 nan 8.240 nan 0.000 0.530 99 F N 1.120 121.129 119.950 0.097 0.000 2.065 99 F HA -0.099 4.428 4.527 -0.001 0.000 0.298 99 F C 2.480 178.460 175.800 0.299 0.000 1.112 99 F CA 2.258 60.392 58.000 0.223 0.000 1.212 99 F CB -0.375 38.650 39.000 0.042 0.000 0.975 99 F HN 0.754 nan 8.300 nan 0.000 0.476 100 E N 0.541 120.947 120.200 0.342 0.000 2.110 100 E HA -0.192 4.158 4.350 -0.001 0.000 0.193 100 E C 2.021 178.662 176.600 0.068 0.000 0.988 100 E CA 1.813 58.354 56.400 0.235 0.000 0.804 100 E CB -0.317 29.521 29.700 0.229 0.000 0.745 100 E HN 0.626 nan 8.360 nan 0.000 0.458 101 E N -1.044 119.123 120.200 -0.056 0.000 2.051 101 E HA -0.195 4.155 4.350 -0.001 0.000 0.192 101 E C 1.904 178.241 176.600 -0.438 0.000 0.991 101 E CA 1.168 57.345 56.400 -0.372 0.000 0.799 101 E CB -0.273 29.248 29.700 -0.298 0.000 0.748 101 E HN 0.350 nan 8.360 nan 0.000 0.449 102 Y N -0.450 119.762 120.300 -0.147 0.000 2.224 102 Y HA -0.249 4.300 4.550 -0.001 0.000 0.289 102 Y C 2.207 178.031 175.900 -0.127 0.000 1.146 102 Y CA 1.176 59.190 58.100 -0.142 0.000 1.182 102 Y CB -0.714 37.767 38.460 0.034 0.000 0.983 102 Y HN 0.185 nan 8.280 nan 0.000 0.524 103 Y N 0.867 121.171 120.300 0.007 0.000 2.145 103 Y HA -0.282 4.268 4.550 -0.001 0.000 0.286 103 Y C 2.298 178.165 175.900 -0.056 0.000 1.145 103 Y CA 1.878 59.939 58.100 -0.064 0.000 1.148 103 Y CB -0.368 38.049 38.460 -0.072 0.000 0.981 103 Y HN 0.050 nan 8.280 nan 0.000 0.507 104 Q N -0.573 119.139 119.800 -0.146 0.000 2.079 104 Q HA -0.168 4.172 4.340 -0.001 0.000 0.200 104 Q C 2.145 178.166 176.000 0.035 0.000 0.974 104 Q CA 2.180 57.897 55.803 -0.144 0.000 0.840 104 Q CB -0.608 28.119 28.738 -0.017 0.000 0.898 104 Q HN 0.780 nan 8.270 nan 0.000 0.430 105 H N -0.760 118.321 119.070 0.019 0.000 2.448 105 H HA 0.044 4.600 4.556 -0.001 0.000 0.292 105 H C 0.892 176.308 175.328 0.147 0.000 1.035 105 H CA 0.613 56.711 56.048 0.083 0.000 1.349 105 H CB 0.652 30.430 29.762 0.026 0.000 1.425 105 H HN 0.210 nan 8.280 nan 0.000 0.539 106 D N -0.821 119.683 120.400 0.173 0.000 3.165 106 D HA 0.002 4.642 4.640 -0.001 0.000 0.264 106 D C 1.872 178.232 176.300 0.100 0.000 1.363 106 D CA 0.531 54.625 54.000 0.157 0.000 1.166 106 D CB -0.146 40.660 40.800 0.009 0.000 1.291 106 D HN 0.060 nan 8.370 nan 0.000 0.390 107 T N 2.702 117.246 114.554 -0.017 0.000 2.699 107 T HA -0.197 4.152 4.350 -0.001 0.000 0.268 107 T C 1.929 176.461 174.700 -0.280 0.000 1.036 107 T CA 1.830 63.868 62.100 -0.103 0.000 1.147 107 T CB -0.210 68.445 68.868 -0.356 0.000 0.862 107 T HN 0.276 nan 8.240 nan 0.000 0.446 108 K N 0.651 120.701 120.400 -0.585 0.000 2.148 108 K HA -0.149 4.171 4.320 -0.001 0.000 0.204 108 K C 1.970 178.313 176.600 -0.429 0.000 1.050 108 K CA 1.429 57.345 56.287 -0.619 0.000 0.942 108 K CB -0.355 31.569 32.500 -0.960 0.000 0.724 108 K HN 0.414 nan 8.250 nan 0.000 0.446 109 H N 0.951 119.942 119.070 -0.132 0.000 2.403 109 H HA 0.077 4.632 4.556 -0.001 0.000 0.298 109 H C 2.267 177.599 175.328 0.005 0.000 1.059 109 H CA 1.299 57.332 56.048 -0.025 0.000 1.363 109 H CB -0.101 29.677 29.762 0.026 0.000 1.410 109 H HN 0.185 nan 8.280 nan 0.000 0.528 110 I N 0.740 121.390 120.570 0.134 0.000 2.179 110 I HA -0.264 3.905 4.170 -0.001 0.000 0.242 110 I C 2.399 178.538 176.117 0.036 0.000 1.088 110 I CA 1.082 62.512 61.300 0.217 0.000 1.357 110 I CB -0.227 37.966 38.000 0.322 0.000 1.051 110 I HN 0.099 nan 8.210 nan 0.000 0.409 111 L N -0.489 120.529 121.223 -0.341 0.000 2.093 111 L HA -0.175 4.164 4.340 -0.001 0.000 0.208 111 L C 2.710 179.225 176.870 -0.593 0.000 1.085 111 L CA 1.112 55.514 54.840 -0.730 0.000 0.755 111 L CB -0.487 40.602 42.059 -1.617 0.000 0.904 111 L HN 0.230 nan 8.230 nan 0.000 0.435 112 S N 0.167 115.627 115.700 -0.400 0.000 2.368 112 S HA -0.132 4.337 4.470 -0.001 0.000 0.224 112 S C 1.778 176.353 174.600 -0.043 0.000 1.029 112 S CA 1.388 59.605 58.200 0.029 0.000 0.988 112 S CB -0.131 63.163 63.200 0.158 0.000 0.838 112 S HN 0.438 nan 8.310 nan 0.000 0.462 113 N N 1.521 120.195 118.700 -0.044 0.000 2.409 113 N HA 0.147 4.887 4.740 -0.001 0.000 0.179 113 N C 1.720 176.933 175.510 -0.494 0.000 1.032 113 N CA 1.014 53.997 53.050 -0.112 0.000 0.898 113 N CB -0.649 37.904 38.487 0.110 0.000 0.971 113 N HN 0.493 nan 8.380 nan 0.000 0.441 114 A N 0.969 123.531 122.820 -0.429 0.000 1.898 114 A HA -0.063 4.256 4.320 -0.001 0.000 0.216 114 A C 2.173 179.470 177.584 -0.478 0.000 1.181 114 A CA 0.816 52.423 52.037 -0.717 0.000 0.620 114 A CB -0.613 18.233 19.000 -0.255 0.000 0.819 114 A HN 0.213 nan 8.150 nan 0.000 0.442 115 L N 0.017 121.104 121.223 -0.226 0.000 2.017 115 L HA -0.142 4.197 4.340 -0.001 0.000 0.208 115 L C 2.433 179.216 176.870 -0.146 0.000 1.073 115 L CA 2.030 56.815 54.840 -0.092 0.000 0.745 115 L CB -0.634 41.443 42.059 0.028 0.000 0.894 115 L HN 0.362 nan 8.230 nan 0.000 0.432 116 R N -1.567 118.794 120.500 -0.231 0.000 2.062 116 R HA -0.125 4.214 4.340 -0.001 0.000 0.231 116 R C 2.361 178.449 176.300 -0.353 0.000 1.136 116 R CA 1.490 57.420 56.100 -0.282 0.000 0.948 116 R CB -0.704 29.398 30.300 -0.331 0.000 0.845 116 R HN 0.524 nan 8.270 nan 0.000 0.430 117 H N 0.600 119.387 119.070 -0.473 0.000 2.389 117 H HA -0.054 4.501 4.556 -0.001 0.000 0.299 117 H C 2.250 177.372 175.328 -0.344 0.000 1.081 117 H CA 1.321 57.078 56.048 -0.486 0.000 1.345 117 H CB 0.003 29.209 29.762 -0.927 0.000 1.393 117 H HN 0.163 nan 8.280 nan 0.000 0.520 118 L N -0.119 120.937 121.223 -0.278 0.000 2.056 118 L HA -0.170 4.169 4.340 -0.001 0.000 0.207 118 L C 2.771 179.612 176.870 -0.049 0.000 1.078 118 L CA 1.023 55.781 54.840 -0.137 0.000 0.749 118 L CB -0.592 41.397 42.059 -0.117 0.000 0.901 118 L HN 0.373 nan 8.230 nan 0.000 0.433 119 H N 0.651 119.647 119.070 -0.123 0.000 2.352 119 H HA -0.195 4.361 4.556 -0.001 0.000 0.299 119 H C 1.274 176.560 175.328 -0.070 0.000 1.097 119 H CA 2.000 58.001 56.048 -0.078 0.000 1.311 119 H CB 0.176 29.889 29.762 -0.082 0.000 1.377 119 H HN 0.327 nan 8.280 nan 0.000 0.504 120 D N 0.228 120.640 120.400 0.020 0.000 2.347 120 D HA -0.031 4.609 4.640 -0.001 0.000 0.215 120 D C -0.071 176.211 176.300 -0.030 0.000 0.976 120 D CA 0.501 54.492 54.000 -0.014 0.000 0.884 120 D CB -0.167 40.626 40.800 -0.012 0.000 0.915 120 D HN 0.407 nan 8.370 nan 0.000 0.526 121 N N 0.933 119.619 118.700 -0.023 0.000 2.716 121 N HA 0.124 4.863 4.740 -0.001 0.000 0.253 121 N C -1.937 173.579 175.510 0.010 0.000 1.170 121 N CA -1.042 52.019 53.050 0.018 0.000 0.807 121 N CB 2.288 40.812 38.487 0.063 0.000 1.183 121 N HN -0.149 nan 8.380 nan 0.000 0.524 122 P HA -0.202 nan 4.420 nan 0.000 0.217 122 P C -0.015 177.313 177.300 0.046 0.000 1.148 122 P CA 1.463 64.564 63.100 0.001 0.000 0.834 122 P CB 0.542 32.236 31.700 -0.010 0.000 0.783 126 F N 1.728 121.592 119.950 -0.144 0.000 2.654 126 F HA 0.521 5.048 4.527 -0.001 0.000 0.314 126 F C -1.446 174.247 175.800 -0.179 0.000 1.116 126 F CA -1.063 56.836 58.000 -0.168 0.000 1.017 126 F CB 0.997 39.976 39.000 -0.034 0.000 1.285 126 F HN 0.449 nan 8.300 nan 0.000 0.448 127 I N 2.039 122.220 120.570 -0.648 0.000 2.562 127 I HA 0.608 4.777 4.170 -0.001 0.000 0.301 127 I C -1.700 173.976 176.117 -0.736 0.000 1.003 127 I CA -0.606 60.307 61.300 -0.645 0.000 1.127 127 I CB 2.465 40.037 38.000 -0.714 0.000 1.304 127 I HN 0.700 nan 8.210 nan 0.000 0.446 128 W N 4.532 125.432 121.300 -0.666 0.000 2.839 128 W HA 0.636 5.296 4.660 -0.001 0.000 0.334 128 W C -0.749 175.688 176.519 -0.137 0.000 1.064 128 W CA -0.524 56.567 57.345 -0.424 0.000 1.236 128 W CB 2.685 31.947 29.460 -0.330 0.000 1.405 128 W HN 0.788 nan 8.180 nan 0.000 0.478 129 A N 3.359 125.838 122.820 -0.569 0.000 1.984 129 A HA 0.145 4.464 4.320 -0.001 0.000 0.203 129 A C 0.059 177.602 177.584 -0.068 0.000 1.292 129 A CA 0.418 52.348 52.037 -0.179 0.000 0.782 129 A CB -0.088 18.864 19.000 -0.079 0.000 0.924 129 A HN 0.508 nan 8.150 nan 0.000 0.475 130 E N 1.349 121.393 120.200 -0.260 0.000 1.932 130 E HA 0.237 4.587 4.350 -0.001 0.000 0.275 130 E C 0.532 177.307 176.600 0.291 0.000 1.159 130 E CA -0.224 56.191 56.400 0.024 0.000 0.905 130 E CB 0.433 30.148 29.700 0.025 0.000 1.059 130 E HN 0.317 nan 8.360 nan 0.000 0.400 131 I N 1.496 122.136 120.570 0.115 0.000 2.614 131 I HA -0.220 3.949 4.170 -0.001 0.000 0.258 131 I C 1.959 177.752 176.117 -0.539 0.000 1.189 131 I CA 0.987 62.273 61.300 -0.022 0.000 1.462 131 I CB -1.417 36.602 38.000 0.032 0.000 1.092 131 I HN 0.406 nan 8.210 nan 0.000 0.442 132 S N 0.635 115.737 115.700 -0.997 0.000 2.370 132 S HA -0.250 4.219 4.470 -0.001 0.000 0.226 132 S C 2.196 176.506 174.600 -0.484 0.000 1.033 132 S CA 1.219 58.407 58.200 -1.687 0.000 1.011 132 S CB -1.104 61.154 63.200 -1.570 0.000 0.852 132 S HN 0.475 nan 8.310 nan 0.000 0.457 133 Y N 0.055 120.377 120.300 0.036 0.000 2.220 133 Y HA 0.039 4.589 4.550 -0.001 0.000 0.291 133 Y C 2.298 178.271 175.900 0.122 0.000 1.129 133 Y CA 1.037 59.261 58.100 0.207 0.000 1.161 133 Y CB -0.376 38.307 38.460 0.371 0.000 0.997 133 Y HN 0.291 nan 8.280 nan 0.000 0.522 134 F N 0.185 120.229 119.950 0.157 0.000 2.134 134 F HA -0.235 4.291 4.527 -0.001 0.000 0.299 134 F C 2.319 177.968 175.800 -0.253 0.000 1.097 134 F CA 1.228 59.193 58.000 -0.059 0.000 1.264 134 F CB -0.443 38.511 39.000 -0.077 0.000 1.001 134 F HN -0.016 nan 8.300 nan 0.000 0.479 135 A N 0.113 122.609 122.820 -0.539 0.000 1.898 135 A HA -0.200 4.120 4.320 -0.001 0.000 0.216 135 A C 2.155 179.640 177.584 -0.166 0.000 1.181 135 A CA 1.686 53.242 52.037 -0.801 0.000 0.620 135 A CB -0.740 17.657 19.000 -1.005 0.000 0.819 135 A HN 0.382 nan 8.150 nan 0.000 0.442 136 R N -1.102 119.336 120.500 -0.103 0.000 2.105 136 R HA -0.144 4.196 4.340 -0.001 0.000 0.239 136 R C 1.726 177.982 176.300 -0.074 0.000 1.135 136 R CA 2.031 58.078 56.100 -0.089 0.000 0.967 136 R CB -0.768 29.410 30.300 -0.203 0.000 0.861 136 R HN 0.493 nan 8.270 nan 0.000 0.442 137 F N -0.438 119.434 119.950 -0.129 0.000 2.098 137 F HA -0.077 4.450 4.527 -0.001 0.000 0.294 137 F C 1.896 177.624 175.800 -0.120 0.000 1.107 137 F CA 1.424 59.412 58.000 -0.019 0.000 1.234 137 F CB -0.897 38.039 39.000 -0.107 0.000 1.002 137 F HN 0.078 nan 8.300 nan 0.000 0.472 138 Y N 0.727 120.789 120.300 -0.395 0.000 2.114 138 Y HA -0.320 4.229 4.550 -0.001 0.000 0.282 138 Y C 2.776 178.476 175.900 -0.333 0.000 1.165 138 Y CA 2.461 60.313 58.100 -0.413 0.000 1.148 138 Y CB -0.853 37.493 38.460 -0.191 0.000 0.972 138 Y HN 0.167 nan 8.280 nan 0.000 0.504 139 H N -0.900 118.150 119.070 -0.032 0.000 2.521 139 H HA -0.082 4.474 4.556 -0.001 0.000 0.286 139 H C 1.042 176.268 175.328 -0.171 0.000 1.034 139 H CA 1.481 57.478 56.048 -0.085 0.000 1.278 139 H CB -0.094 29.677 29.762 0.015 0.000 1.386 139 H HN 0.461 nan 8.280 nan 0.000 0.567 140 D N -0.139 120.175 120.400 -0.143 0.000 2.350 140 D HA 0.094 4.733 4.640 -0.001 0.000 0.213 140 D C 0.593 176.722 176.300 -0.284 0.000 1.031 140 D CA 0.029 53.934 54.000 -0.160 0.000 0.861 140 D CB 0.437 41.180 40.800 -0.095 0.000 0.926 140 D HN 0.173 nan 8.370 nan 0.000 0.520 141 L N 0.529 121.478 121.223 -0.455 0.000 2.417 141 L HA 0.355 4.694 4.340 -0.001 0.000 0.268 141 L C 1.339 178.020 176.870 -0.315 0.000 1.158 141 L CA -0.626 53.934 54.840 -0.468 0.000 0.819 141 L CB 0.911 42.592 42.059 -0.629 0.000 1.112 141 L HN -0.024 nan 8.230 nan 0.000 0.458 142 G N 0.500 109.162 108.800 -0.229 0.000 2.572 142 G HA2 0.067 4.027 3.960 -0.001 0.000 0.261 142 G HA3 0.067 4.027 3.960 -0.001 0.000 0.261 142 G C 0.638 175.444 174.900 -0.157 0.000 1.197 142 G CA -0.290 44.718 45.100 -0.154 0.000 0.870 142 G HN 0.771 nan 8.290 nan 0.000 0.548 143 E N 0.302 120.440 120.200 -0.103 0.000 2.097 143 E HA -0.220 4.130 4.350 -0.001 0.000 0.196 143 E C 2.168 178.733 176.600 -0.058 0.000 1.000 143 E CA 1.675 58.031 56.400 -0.074 0.000 0.804 143 E CB -0.162 29.519 29.700 -0.032 0.000 0.740 143 E HN 0.586 nan 8.360 nan 0.000 0.454 144 N N 0.076 118.743 118.700 -0.056 0.000 2.069 144 N HA -0.188 4.551 4.740 -0.001 0.000 0.191 144 N C 1.441 176.921 175.510 -0.050 0.000 1.031 144 N CA 1.392 54.416 53.050 -0.043 0.000 0.852 144 N CB -0.004 38.453 38.487 -0.049 0.000 1.018 144 N HN 0.038 nan 8.380 nan 0.000 0.423 145 K N 1.224 121.573 120.400 -0.084 0.000 2.155 145 K HA -0.016 4.303 4.320 -0.001 0.000 0.203 145 K C 2.028 178.597 176.600 -0.051 0.000 1.052 145 K CA 0.619 56.856 56.287 -0.082 0.000 0.948 145 K CB -0.182 32.242 32.500 -0.127 0.000 0.728 145 K HN 0.319 nan 8.250 nan 0.000 0.448 146 K N 0.782 121.110 120.400 -0.120 0.000 2.063 146 K HA -0.056 4.264 4.320 -0.001 0.000 0.208 146 K C 2.245 178.933 176.600 0.147 0.000 1.048 146 K CA 0.993 57.226 56.287 -0.090 0.000 0.928 146 K CB -0.160 32.181 32.500 -0.266 0.000 0.713 146 K HN 0.047 nan 8.250 nan 0.000 0.442 147 L N 1.071 122.345 121.223 0.084 0.000 2.056 147 L HA -0.167 4.172 4.340 -0.001 0.000 0.207 147 L C 1.528 178.471 176.870 0.122 0.000 1.078 147 L CA 1.005 55.910 54.840 0.108 0.000 0.749 147 L CB -0.347 41.751 42.059 0.065 0.000 0.901 147 L HN 0.286 nan 8.230 nan 0.000 0.433 151 S N 2.189 117.976 115.700 0.146 0.000 2.368 151 S HA -0.118 4.351 4.470 -0.001 0.000 0.224 151 S C 2.091 176.745 174.600 0.091 0.000 1.029 151 S CA 1.224 59.488 58.200 0.106 0.000 0.988 151 S CB -0.692 62.570 63.200 0.104 0.000 0.838 151 S HN 0.430 nan 8.310 nan 0.000 0.462 152 I N -0.407 120.228 120.570 0.107 0.000 2.830 152 I HA 0.081 4.250 4.170 -0.001 0.000 0.263 152 I C 1.915 178.067 176.117 0.057 0.000 1.230 152 I CA 0.531 61.876 61.300 0.074 0.000 1.480 152 I CB -0.370 37.675 38.000 0.076 0.000 1.095 152 I HN 0.150 nan 8.210 nan 0.000 0.455 153 V N 1.425 121.392 119.914 0.089 0.000 2.379 153 V HA -0.141 3.978 4.120 -0.001 0.000 0.243 153 V C 2.657 178.788 176.094 0.061 0.000 1.035 153 V CA 1.716 64.058 62.300 0.070 0.000 1.035 153 V CB -0.573 31.353 31.823 0.171 0.000 0.673 153 V HN 0.406 nan 8.190 nan 0.000 0.457 154 K N 1.500 121.943 120.400 0.072 0.000 2.097 154 K HA -0.215 4.104 4.320 -0.001 0.000 0.206 154 K C 1.769 178.387 176.600 0.030 0.000 1.049 154 K CA 1.814 58.131 56.287 0.050 0.000 0.933 154 K CB -0.175 32.356 32.500 0.052 0.000 0.717 154 K HN 0.661 nan 8.250 nan 0.000 0.442 155 N N -0.596 118.122 118.700 0.029 0.000 2.461 155 N HA -0.009 4.731 4.740 -0.001 0.000 0.188 155 N C 0.874 176.389 175.510 0.008 0.000 1.134 155 N CA 1.114 54.173 53.050 0.016 0.000 0.878 155 N CB 0.386 38.882 38.487 0.014 0.000 0.972 155 N HN 0.307 nan 8.380 nan 0.000 0.456 156 G N -0.349 108.453 108.800 0.003 0.000 2.157 156 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.248 156 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.248 156 G C 0.784 175.674 174.900 -0.017 0.000 0.979 156 G CA 0.464 45.557 45.100 -0.013 0.000 0.650 156 G HN 0.454 nan 8.290 nan 0.000 0.529 157 Q N -1.186 118.610 119.800 -0.006 0.000 2.096 157 Q HA 0.215 4.554 4.340 -0.001 0.000 0.197 157 Q C 1.182 177.176 176.000 -0.009 0.000 0.964 157 Q CA 0.789 56.593 55.803 0.002 0.000 0.838 157 Q CB 0.224 28.968 28.738 0.010 0.000 0.906 157 Q HN 0.465 nan 8.270 nan 0.000 0.444 158 L N 1.748 122.947 121.223 -0.040 0.000 2.272 158 L HA 0.374 4.714 4.340 -0.001 0.000 0.289 158 L C -1.011 175.692 176.870 -0.279 0.000 1.032 158 L CA 0.082 54.853 54.840 -0.116 0.000 0.810 158 L CB 1.361 43.361 42.059 -0.099 0.000 1.205 158 L HN 0.113 nan 8.230 nan 0.000 0.422 159 E N 4.757 124.753 120.200 -0.339 0.000 2.210 159 E HA 0.381 4.730 4.350 -0.001 0.000 0.266 159 E C -1.567 174.775 176.600 -0.430 0.000 0.883 159 E CA -0.678 55.526 56.400 -0.326 0.000 0.761 159 E CB 1.446 31.033 29.700 -0.188 0.000 1.156 159 E HN 0.495 nan 8.360 nan 0.000 0.412 160 F N 3.251 123.151 119.950 -0.083 0.000 2.410 160 F HA 0.236 4.763 4.527 -0.001 0.000 0.348 160 F C 0.258 176.027 175.800 -0.052 0.000 1.106 160 F CA -0.617 57.345 58.000 -0.062 0.000 1.163 160 F CB 1.304 40.277 39.000 -0.045 0.000 1.129 160 F HN 0.194 nan 8.300 nan 0.000 0.516 161 V N 0.188 120.163 119.914 0.101 0.000 2.459 161 V HA 0.637 4.757 4.120 -0.001 0.000 0.295 161 V C 0.214 176.441 176.094 0.222 0.000 1.029 161 V CA -0.503 61.858 62.300 0.102 0.000 0.874 161 V CB 0.854 32.634 31.823 -0.070 0.000 0.985 161 V HN 1.004 nan 8.190 nan 0.000 0.438 162 T N 3.318 118.077 114.554 0.343 0.000 13.275 162 T HA -0.282 4.068 4.350 -0.001 0.000 0.419 162 T C 1.682 176.616 174.700 0.390 0.000 1.444 162 T CA 2.690 65.044 62.100 0.423 0.000 2.363 162 T CB -1.692 67.323 68.868 0.245 0.000 2.804 162 T HN 2.766 nan 8.240 nan 0.000 0.610 163 G N 1.783 110.746 108.800 0.272 0.000 2.132 163 G HA2 0.131 4.091 3.960 -0.001 0.000 0.234 163 G HA3 0.131 4.091 3.960 -0.001 0.000 0.234 163 G C 0.284 175.321 174.900 0.230 0.000 0.989 163 G CA 0.581 45.816 45.100 0.224 0.000 0.676 163 G HN 1.542 nan 8.290 nan 0.000 0.522 164 G N -1.648 107.287 108.800 0.225 0.000 2.562 164 G HA2 0.391 4.350 3.960 -0.001 0.000 0.275 164 G HA3 0.391 4.350 3.960 -0.001 0.000 0.275 164 G C 0.937 176.007 174.900 0.283 0.000 1.196 164 G CA 0.121 45.365 45.100 0.240 0.000 0.908 164 G HN 0.346 nan 8.290 nan 0.000 0.524 165 W N 0.398 121.742 121.300 0.074 0.000 2.350 165 W HA -0.006 4.653 4.660 -0.001 0.000 0.289 165 W C 0.562 177.109 176.519 0.048 0.000 1.215 165 W CA 1.854 59.227 57.345 0.046 0.000 1.236 165 W CB 0.261 29.731 29.460 0.017 0.000 1.130 165 W HN 0.403 nan 8.180 nan 0.000 0.541 169 D N 0.061 120.444 120.400 -0.028 0.000 2.382 169 D HA 0.079 4.718 4.640 -0.001 0.000 0.240 169 D C 0.448 176.763 176.300 0.025 0.000 1.146 169 D CA 0.340 54.297 54.000 -0.072 0.000 0.897 169 D CB 0.823 41.585 40.800 -0.063 0.000 1.197 169 D HN 0.349 nan 8.370 nan 0.000 0.432 170 E N 1.310 121.570 120.200 0.099 0.000 2.526 170 E HA 0.204 4.553 4.350 -0.001 0.000 0.208 170 E C 0.798 177.585 176.600 0.312 0.000 0.997 170 E CA -0.025 56.501 56.400 0.210 0.000 0.961 170 E CB 0.748 30.586 29.700 0.230 0.000 1.030 170 E HN 0.489 nan 8.360 nan 0.000 0.483 171 A N 1.447 124.393 122.820 0.211 0.000 1.887 171 A HA 0.018 4.338 4.320 -0.001 0.000 0.210 171 A C 1.811 179.291 177.584 -0.174 0.000 1.221 171 A CA 0.559 52.495 52.037 -0.168 0.000 0.635 171 A CB 0.025 18.894 19.000 -0.218 0.000 0.881 171 A HN 0.037 nan 8.150 nan 0.000 0.456 172 N N 0.789 119.473 118.700 -0.027 0.000 2.392 172 N HA 0.002 4.742 4.740 -0.001 0.000 0.177 172 N C 0.516 176.020 175.510 -0.009 0.000 1.066 172 N CA 0.771 53.802 53.050 -0.032 0.000 0.895 172 N CB -0.010 38.499 38.487 0.037 0.000 0.988 172 N HN 0.502 nan 8.380 nan 0.000 0.457 173 S N 0.892 116.597 115.700 0.008 0.000 2.562 173 S HA 0.011 4.481 4.470 -0.001 0.000 0.281 173 S C 0.020 174.641 174.600 0.035 0.000 1.333 173 S CA -0.533 57.684 58.200 0.027 0.000 1.052 173 S CB 1.052 64.271 63.200 0.032 0.000 0.884 173 S HN 0.216 nan 8.310 nan 0.000 0.506 174 H N 3.507 122.562 119.070 -0.025 0.000 2.525 174 H HA 0.065 4.621 4.556 -0.001 0.000 0.339 174 H C 1.256 176.565 175.328 -0.032 0.000 1.109 174 H CA -0.419 55.602 56.048 -0.045 0.000 1.352 174 H CB 0.572 30.259 29.762 -0.125 0.000 1.461 174 H HN 1.028 nan 8.280 nan 0.000 0.533 175 W N 5.729 126.961 121.300 -0.114 0.000 2.331 175 W HA -0.174 4.485 4.660 -0.001 0.000 0.291 175 W C 1.067 177.667 176.519 0.136 0.000 1.214 175 W CA 0.416 57.763 57.345 0.004 0.000 1.228 175 W CB -0.495 28.911 29.460 -0.091 0.000 1.135 175 W HN 0.534 nan 8.180 nan 0.000 0.537 176 R N 0.788 120.929 120.500 -0.598 0.000 2.096 176 R HA -0.137 4.203 4.340 -0.001 0.000 0.235 176 R C 2.005 178.147 176.300 -0.262 0.000 1.127 176 R CA 1.895 57.538 56.100 -0.762 0.000 0.968 176 R CB -0.412 29.365 30.300 -0.872 0.000 0.861 176 R HN 0.151 nan 8.270 nan 0.000 0.440 177 N N -0.227 118.402 118.700 -0.119 0.000 2.376 177 N HA -0.053 4.686 4.740 -0.001 0.000 0.177 177 N C 1.684 177.202 175.510 0.012 0.000 1.024 177 N CA 0.669 53.689 53.050 -0.049 0.000 0.893 177 N CB 0.066 38.542 38.487 -0.018 0.000 0.980 177 N HN 0.006 nan 8.380 nan 0.000 0.439 178 V N 1.346 121.293 119.914 0.054 0.000 2.358 178 V HA -0.151 3.969 4.120 -0.001 0.000 0.246 178 V C 2.293 178.437 176.094 0.083 0.000 1.047 178 V CA 0.983 63.333 62.300 0.083 0.000 1.035 178 V CB -0.413 31.481 31.823 0.118 0.000 0.658 178 V HN 0.186 nan 8.190 nan 0.000 0.452 179 L N -0.301 120.981 121.223 0.098 0.000 2.056 179 L HA -0.089 4.250 4.340 -0.001 0.000 0.207 179 L C 2.157 179.044 176.870 0.029 0.000 1.078 179 L CA 1.757 56.649 54.840 0.086 0.000 0.749 179 L CB -0.662 41.482 42.059 0.143 0.000 0.901 179 L HN 0.272 nan 8.230 nan 0.000 0.433 180 L N -0.000 121.219 121.223 -0.007 0.000 1.989 180 L HA -0.257 4.083 4.340 -0.001 0.000 0.211 180 L C 2.597 179.461 176.870 -0.009 0.000 1.071 180 L CA 2.384 57.207 54.840 -0.027 0.000 0.749 180 L CB -0.797 41.226 42.059 -0.060 0.000 0.890 180 L HN 0.678 nan 8.230 nan 0.000 0.431 181 Q N -0.996 118.820 119.800 0.026 0.000 2.167 181 Q HA -0.195 4.145 4.340 -0.001 0.000 0.202 181 Q C 2.018 178.104 176.000 0.142 0.000 0.970 181 Q CA 2.048 57.901 55.803 0.082 0.000 0.855 181 Q CB -1.145 27.676 28.738 0.139 0.000 0.911 181 Q HN 0.479 nan 8.270 nan 0.000 0.438 182 L N 0.770 122.063 121.223 0.116 0.000 2.056 182 L HA -0.079 4.261 4.340 -0.001 0.000 0.207 182 L C 1.901 178.856 176.870 0.141 0.000 1.078 182 L CA 2.386 57.308 54.840 0.138 0.000 0.749 182 L CB -0.960 41.157 42.059 0.098 0.000 0.901 182 L HN 0.322 nan 8.230 nan 0.000 0.433 183 T N -0.956 113.651 114.554 0.087 0.000 2.821 183 T HA -0.175 4.175 4.350 -0.001 0.000 0.267 183 T C 1.718 176.479 174.700 0.101 0.000 1.046 183 T CA 1.401 63.547 62.100 0.077 0.000 1.139 183 T CB -0.166 68.719 68.868 0.028 0.000 0.871 183 T HN 0.322 nan 8.240 nan 0.000 0.454 184 E N 1.050 121.285 120.200 0.058 0.000 2.051 184 E HA -0.052 4.297 4.350 -0.001 0.000 0.192 184 E C 2.343 179.076 176.600 0.222 0.000 0.991 184 E CA 1.588 57.984 56.400 -0.007 0.000 0.799 184 E CB -0.882 28.638 29.700 -0.302 0.000 0.748 184 E HN 0.450 nan 8.360 nan 0.000 0.449 185 G N -0.127 108.892 108.800 0.364 0.000 2.402 185 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.216 185 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.216 185 G C 1.483 176.600 174.900 0.360 0.000 1.162 185 G CA 0.669 46.060 45.100 0.484 0.000 0.777 185 G HN 0.266 nan 8.290 nan 0.000 0.539 186 Q N -0.155 119.798 119.800 0.255 0.000 2.172 186 Q HA -0.054 4.285 4.340 -0.001 0.000 0.200 186 Q C 2.775 178.880 176.000 0.175 0.000 0.964 186 Q CA 1.403 57.319 55.803 0.188 0.000 0.855 186 Q CB -0.209 28.622 28.738 0.156 0.000 0.918 186 Q HN 0.404 nan 8.270 nan 0.000 0.444 187 T N 0.190 114.861 114.554 0.195 0.000 2.821 187 T HA -0.179 4.171 4.350 -0.001 0.000 0.267 187 T C 1.090 175.909 174.700 0.198 0.000 1.046 187 T CA 1.043 63.237 62.100 0.157 0.000 1.139 187 T CB -0.335 68.622 68.868 0.148 0.000 0.871 187 T HN 0.472 nan 8.240 nan 0.000 0.454 188 W N 1.581 122.989 121.300 0.180 0.000 2.355 188 W HA -0.011 4.648 4.660 -0.001 0.000 0.309 188 W C 1.783 178.433 176.519 0.217 0.000 1.206 188 W CA 0.838 58.371 57.345 0.312 0.000 1.284 188 W CB -0.449 29.250 29.460 0.398 0.000 1.145 188 W HN 0.130 nan 8.180 nan 0.000 0.502 189 L N 0.696 122.148 121.223 0.381 0.000 2.042 189 L HA -0.260 4.080 4.340 -0.001 0.000 0.210 189 L C 2.611 179.423 176.870 -0.097 0.000 1.076 189 L CA 1.908 56.791 54.840 0.072 0.000 0.749 189 L CB -0.922 41.114 42.059 -0.038 0.000 0.893 189 L HN -0.001 nan 8.230 nan 0.000 0.432 190 K N -0.058 120.308 120.400 -0.057 0.000 2.057 190 K HA -0.255 4.064 4.320 -0.001 0.000 0.206 190 K C 2.196 178.675 176.600 -0.202 0.000 1.050 190 K CA 1.544 57.773 56.287 -0.098 0.000 0.935 190 K CB -0.020 32.448 32.500 -0.053 0.000 0.715 190 K HN 0.259 nan 8.250 nan 0.000 0.439 191 Q N -0.656 118.961 119.800 -0.304 0.000 2.046 191 Q HA -0.081 4.259 4.340 -0.001 0.000 0.200 191 Q C -0.064 175.458 176.000 -0.797 0.000 0.975 191 Q CA 1.077 56.539 55.803 -0.568 0.000 0.836 191 Q CB 0.094 28.383 28.738 -0.748 0.000 0.896 191 Q HN 0.112 nan 8.270 nan 0.000 0.428 195 V N -2.328 117.569 119.914 -0.029 0.000 3.012 195 V HA 0.832 4.952 4.120 -0.001 0.000 0.307 195 V C -0.639 175.441 176.094 -0.022 0.000 1.166 195 V CA -0.506 61.792 62.300 -0.004 0.000 0.974 195 V CB 1.897 33.760 31.823 0.066 0.000 1.040 195 V HN 0.042 nan 8.190 nan 0.000 0.428 196 T N 4.076 118.608 114.554 -0.038 0.000 2.930 196 T HA 0.576 4.925 4.350 -0.001 0.000 0.313 196 T C -2.767 171.851 174.700 -0.136 0.000 1.019 196 T CA -0.790 61.269 62.100 -0.069 0.000 1.004 196 T CB 1.388 70.207 68.868 -0.080 0.000 0.987 196 T HN 0.776 nan 8.240 nan 0.000 0.456 197 P HA 0.156 nan 4.420 nan 0.000 0.266 197 P C 0.833 177.734 177.300 -0.665 0.000 1.195 197 P CA -0.113 62.864 63.100 -0.204 0.000 0.768 197 P CB 0.524 32.224 31.700 -0.001 0.000 0.838 198 T N -1.455 112.771 114.554 -0.546 0.000 3.040 198 T HA 0.539 4.889 4.350 -0.001 0.000 0.266 198 T C 0.324 174.833 174.700 -0.317 0.000 1.005 198 T CA -0.287 61.376 62.100 -0.730 0.000 0.906 198 T CB 0.154 68.809 68.868 -0.354 0.000 1.082 198 T HN 0.403 nan 8.240 nan 0.000 0.531 199 A N 0.862 123.652 122.820 -0.051 0.000 2.343 199 A HA 0.794 5.114 4.320 -0.001 0.000 0.316 199 A C -0.180 177.670 177.584 0.442 0.000 1.104 199 A CA -0.692 51.474 52.037 0.214 0.000 0.768 199 A CB 1.811 20.946 19.000 0.226 0.000 1.213 199 A HN 0.257 nan 8.150 nan 0.000 0.456 200 S N 2.285 118.240 115.700 0.426 0.000 2.565 200 S HA 0.679 5.148 4.470 -0.001 0.000 0.290 200 S C -1.092 173.703 174.600 0.325 0.000 1.150 200 S CA -0.420 57.974 58.200 0.322 0.000 1.058 200 S CB 0.747 63.965 63.200 0.030 0.000 1.032 200 S HN 0.832 nan 8.310 nan 0.000 0.510 201 W N 4.700 126.021 121.300 0.035 0.000 2.543 201 W HA 0.631 5.290 4.660 -0.001 0.000 0.318 201 W C -1.509 174.964 176.519 -0.076 0.000 1.002 201 W CA -0.832 56.488 57.345 -0.043 0.000 1.302 201 W CB 1.046 30.453 29.460 -0.087 0.000 1.299 201 W HN 0.780 nan 8.180 nan 0.000 0.424 202 A N 7.966 130.637 122.820 -0.249 0.000 2.842 202 A HA 0.294 4.613 4.320 -0.001 0.000 0.339 202 A C 0.325 177.658 177.584 -0.419 0.000 1.177 202 A CA -0.490 51.405 52.037 -0.238 0.000 0.797 202 A CB -0.329 18.655 19.000 -0.026 0.000 1.094 202 A HN 0.709 nan 8.150 nan 0.000 0.474 203 I N -2.643 117.500 120.570 -0.712 0.000 3.728 203 I HA 0.275 4.445 4.170 -0.001 0.000 0.307 203 I C 0.660 176.462 176.117 -0.525 0.000 1.276 203 I CA 0.752 61.610 61.300 -0.736 0.000 1.285 203 I CB 0.402 37.722 38.000 -1.133 0.000 1.038 203 I HN 0.320 nan 8.210 nan 0.000 0.445 204 D N 0.466 120.523 120.400 -0.572 0.000 2.489 204 D HA 0.253 4.893 4.640 -0.001 0.000 0.231 204 D C -2.168 173.718 176.300 -0.690 0.000 1.114 204 D CA -0.781 52.877 54.000 -0.570 0.000 0.842 204 D CB 0.103 40.490 40.800 -0.688 0.000 1.133 204 D HN 0.179 nan 8.370 nan 0.000 0.506 205 P HA 0.016 nan 4.420 nan 0.000 0.267 205 P C -0.468 176.398 177.300 -0.724 0.000 1.200 205 P CA 0.109 62.703 63.100 -0.845 0.000 0.772 205 P CB 0.160 31.507 31.700 -0.587 0.000 0.855 206 F N 2.402 122.100 119.950 -0.419 0.000 2.605 206 F HA 0.533 5.060 4.527 -0.001 0.000 0.352 206 F C 1.431 177.174 175.800 -0.095 0.000 1.236 206 F CA -0.654 57.057 58.000 -0.481 0.000 1.267 206 F CB -1.254 37.607 39.000 -0.232 0.000 1.632 206 F HN 0.471 nan 8.300 nan 0.000 0.639 207 G N 1.076 109.659 108.800 -0.361 0.000 2.587 207 G HA2 -0.033 3.927 3.960 -0.001 0.000 0.686 207 G HA3 -0.033 3.927 3.960 -0.001 0.000 0.686 207 G C -1.559 173.005 174.900 -0.561 0.000 1.236 207 G CA -1.198 43.811 45.100 -0.151 0.000 0.820 207 G HN 0.563 nan 8.290 nan 0.000 0.645 208 H N -0.514 118.282 119.070 -0.457 0.000 2.690 208 H HA 0.776 5.332 4.556 -0.001 0.000 0.368 208 H C -0.333 174.858 175.328 -0.229 0.000 1.150 208 H CA 0.028 55.969 56.048 -0.179 0.000 1.174 208 H CB 2.085 31.903 29.762 0.094 0.000 1.684 208 H HN 0.677 nan 8.280 nan 0.000 0.538 209 S N 2.194 118.023 115.700 0.215 0.000 2.503 209 S HA 0.259 4.728 4.470 -0.001 0.000 0.301 209 S C -1.787 172.833 174.600 0.033 0.000 1.087 209 S CA -1.750 56.586 58.200 0.226 0.000 1.042 209 S CB 1.369 64.764 63.200 0.324 0.000 1.043 209 S HN 0.456 nan 8.310 nan 0.000 0.489 210 P HA 0.029 nan 4.420 nan 0.000 0.234 210 P C 0.571 177.612 177.300 -0.431 0.000 1.167 210 P CA 0.398 63.102 63.100 -0.660 0.000 0.763 210 P CB -0.355 31.130 31.700 -0.359 0.000 0.835 214 Y N 2.159 122.279 120.300 -0.300 0.000 2.097 214 Y HA -0.110 4.439 4.550 -0.001 0.000 0.282 214 Y C 2.262 178.083 175.900 -0.131 0.000 1.152 214 Y CA 2.181 60.166 58.100 -0.192 0.000 1.136 214 Y CB -0.478 37.887 38.460 -0.158 0.000 0.975 214 Y HN -0.072 nan 8.280 nan 0.000 0.498 215 I N -0.409 120.163 120.570 0.003 0.000 2.252 215 I HA -0.311 3.858 4.170 -0.001 0.000 0.245 215 I C 2.328 178.366 176.117 -0.131 0.000 1.102 215 I CA 1.201 62.469 61.300 -0.053 0.000 1.385 215 I CB -0.461 37.580 38.000 0.068 0.000 1.064 215 I HN 0.266 nan 8.210 nan 0.000 0.414 216 L N 0.127 121.228 121.223 -0.205 0.000 2.017 216 L HA -0.242 4.097 4.340 -0.001 0.000 0.208 216 L C 2.716 179.564 176.870 -0.036 0.000 1.073 216 L CA 1.302 55.955 54.840 -0.311 0.000 0.745 216 L CB -0.756 40.943 42.059 -0.601 0.000 0.894 216 L HN 0.355 nan 8.230 nan 0.000 0.432 217 Q N 1.092 120.840 119.800 -0.086 0.000 2.226 217 Q HA -0.201 4.139 4.340 -0.001 0.000 0.204 217 Q C 1.673 177.633 176.000 -0.067 0.000 0.975 217 Q CA 1.535 57.309 55.803 -0.049 0.000 0.866 217 Q CB 0.098 28.777 28.738 -0.098 0.000 0.915 217 Q HN 0.471 nan 8.270 nan 0.000 0.440 218 K N -0.524 119.794 120.400 -0.137 0.000 2.458 218 K HA 0.119 4.439 4.320 -0.001 0.000 0.194 218 K C 0.589 177.151 176.600 -0.063 0.000 1.024 218 K CA 0.067 56.267 56.287 -0.145 0.000 1.108 218 K CB 0.535 32.872 32.500 -0.272 0.000 0.846 218 K HN -0.084 nan 8.250 nan 0.000 0.518 219 S N -0.228 115.491 115.700 0.031 0.000 2.741 219 S HA 0.202 4.672 4.470 -0.001 0.000 0.247 219 S C 0.754 175.456 174.600 0.170 0.000 1.050 219 S CA 0.107 58.373 58.200 0.110 0.000 1.025 219 S CB 1.296 64.602 63.200 0.176 0.000 0.897 219 S HN 0.529 nan 8.310 nan 0.000 0.508 220 G N 1.232 110.085 108.800 0.087 0.000 2.176 220 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.253 220 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.253 220 G C 0.005 174.885 174.900 -0.035 0.000 0.979 220 G CA -0.340 44.758 45.100 -0.002 0.000 0.641 220 G HN 0.448 nan 8.290 nan 0.000 0.530 221 F N 0.566 120.478 119.950 -0.063 0.000 2.450 221 F HA 0.533 5.060 4.527 -0.001 0.000 0.339 221 F C 1.699 177.442 175.800 -0.094 0.000 1.146 221 F CA 0.529 58.487 58.000 -0.070 0.000 1.267 221 F CB 0.946 39.908 39.000 -0.063 0.000 1.178 221 F HN -0.057 nan 8.300 nan 0.000 0.585 222 K N 0.536 120.958 120.400 0.037 0.000 2.464 222 K HA 0.223 4.543 4.320 -0.001 0.000 0.206 222 K C -0.606 175.936 176.600 -0.098 0.000 1.186 222 K CA -0.055 56.195 56.287 -0.062 0.000 0.990 222 K CB 0.499 32.913 32.500 -0.142 0.000 1.003 222 K HN 0.604 nan 8.250 nan 0.000 0.562 223 N N 0.716 119.340 118.700 -0.128 0.000 2.484 223 N HA 0.424 5.163 4.740 -0.001 0.000 0.269 223 N C -1.405 173.958 175.510 -0.245 0.000 1.237 223 N CA -0.779 52.033 53.050 -0.396 0.000 0.838 223 N CB 2.016 39.708 38.487 -1.325 0.000 1.593 223 N HN -0.049 nan 8.380 nan 0.000 0.485 224 M N -0.132 119.333 119.600 -0.226 0.000 2.520 224 M HA 0.623 5.102 4.480 -0.001 0.000 0.283 224 M C -2.105 174.254 176.300 0.098 0.000 1.237 224 M CA -0.922 54.373 55.300 -0.010 0.000 0.885 224 M CB 2.475 35.058 32.600 -0.028 0.000 1.727 224 M HN 0.518 nan 8.290 nan 0.000 0.468 225 L N 4.068 125.368 121.223 0.127 0.000 2.386 225 L HA 0.868 5.208 4.340 -0.001 0.000 0.271 225 L C -1.457 175.286 176.870 -0.211 0.000 0.993 225 L CA -0.758 54.113 54.840 0.051 0.000 0.819 225 L CB 1.965 44.105 42.059 0.135 0.000 1.294 225 L HN 0.958 nan 8.230 nan 0.000 0.414 226 I N 0.962 121.318 120.570 -0.357 0.000 3.002 226 I HA 0.618 4.788 4.170 -0.001 0.000 0.310 226 I C -0.663 175.160 176.117 -0.490 0.000 1.087 226 I CA -0.574 60.332 61.300 -0.658 0.000 1.017 226 I CB 2.221 39.532 38.000 -1.149 0.000 1.226 226 I HN 0.739 nan 8.210 nan 0.000 0.443 227 Q N 2.062 121.646 119.800 -0.360 0.000 2.536 227 Q HA 0.329 4.668 4.340 -0.001 0.000 0.212 227 Q C 0.043 175.943 176.000 -0.167 0.000 0.743 227 Q CA 0.367 56.026 55.803 -0.239 0.000 0.929 227 Q CB 0.524 29.108 28.738 -0.256 0.000 1.313 227 Q HN 0.651 nan 8.270 nan 0.000 0.524 228 R N 2.089 122.488 120.500 -0.168 0.000 2.612 228 R HA 0.316 4.655 4.340 -0.001 0.000 0.273 228 R C -0.666 175.400 176.300 -0.390 0.000 1.376 228 R CA 0.685 56.467 56.100 -0.529 0.000 1.171 228 R CB -0.008 29.610 30.300 -1.136 0.000 1.151 228 R HN 0.408 nan 8.270 nan 0.000 0.560 229 T N -2.365 112.197 114.554 0.012 0.000 2.907 229 T HA 0.124 4.473 4.350 -0.001 0.000 0.292 229 T C -0.076 174.893 174.700 0.448 0.000 1.043 229 T CA -0.921 61.310 62.100 0.218 0.000 1.003 229 T CB 1.710 70.552 68.868 -0.044 0.000 1.084 229 T HN 0.435 nan 8.240 nan 0.000 0.483 230 H N 2.071 121.357 119.070 0.360 0.000 3.140 230 H HA -0.060 4.496 4.556 -0.001 0.000 0.316 230 H C 1.081 176.453 175.328 0.073 0.000 0.986 230 H CA 0.629 56.768 56.048 0.152 0.000 1.397 230 H CB 0.318 30.197 29.762 0.195 0.000 1.377 230 H HN 0.928 nan 8.280 nan 0.000 0.585 231 Y N 2.438 122.825 120.300 0.145 0.000 2.256 231 Y HA -0.189 4.360 4.550 -0.001 0.000 0.288 231 Y C 2.202 178.265 175.900 0.271 0.000 1.155 231 Y CA 1.015 59.238 58.100 0.205 0.000 1.203 231 Y CB -0.683 37.835 38.460 0.097 0.000 0.980 231 Y HN 0.298 nan 8.280 nan 0.000 0.530 232 S N 0.288 116.026 115.700 0.064 0.000 2.402 232 S HA -0.115 4.355 4.470 -0.001 0.000 0.229 232 S C 2.076 176.598 174.600 -0.130 0.000 1.021 232 S CA 1.174 59.307 58.200 -0.112 0.000 0.974 232 S CB -0.530 62.368 63.200 -0.503 0.000 0.800 232 S HN 0.377 nan 8.310 nan 0.000 0.484 233 V N 1.896 121.796 119.914 -0.024 0.000 2.358 233 V HA -0.151 3.969 4.120 -0.001 0.000 0.246 233 V C 2.221 178.356 176.094 0.070 0.000 1.047 233 V CA 1.538 63.854 62.300 0.027 0.000 1.035 233 V CB -0.489 31.456 31.823 0.204 0.000 0.658 233 V HN 0.406 nan 8.190 nan 0.000 0.452 234 K N 0.178 120.661 120.400 0.139 0.000 2.032 234 K HA -0.248 4.072 4.320 -0.001 0.000 0.209 234 K C 2.276 179.011 176.600 0.225 0.000 1.048 234 K CA 1.808 58.194 56.287 0.166 0.000 0.927 234 K CB -0.236 32.419 32.500 0.257 0.000 0.712 234 K HN 0.347 nan 8.250 nan 0.000 0.441 235 K N 1.211 121.745 120.400 0.223 0.000 2.026 235 K HA -0.234 4.085 4.320 -0.001 0.000 0.208 235 K C 2.140 178.838 176.600 0.164 0.000 1.048 235 K CA 1.747 58.173 56.287 0.232 0.000 0.929 235 K CB 0.039 32.603 32.500 0.106 0.000 0.713 235 K HN -0.018 nan 8.250 nan 0.000 0.439 236 E N 0.861 121.078 120.200 0.028 0.000 2.051 236 E HA -0.155 4.194 4.350 -0.001 0.000 0.192 236 E C 1.927 178.524 176.600 -0.005 0.000 0.991 236 E CA 1.478 57.853 56.400 -0.042 0.000 0.799 236 E CB -0.184 29.441 29.700 -0.124 0.000 0.748 236 E HN 0.352 nan 8.360 nan 0.000 0.449 237 L N -0.215 121.017 121.223 0.015 0.000 2.141 237 L HA -0.046 4.294 4.340 -0.001 0.000 0.209 237 L C 2.499 179.394 176.870 0.042 0.000 1.094 237 L CA 0.854 55.699 54.840 0.007 0.000 0.763 237 L CB -0.558 41.494 42.059 -0.012 0.000 0.908 237 L HN 0.209 nan 8.230 nan 0.000 0.437 238 A N -0.097 122.799 122.820 0.128 0.000 1.902 238 A HA -0.236 4.084 4.320 -0.001 0.000 0.217 238 A C 2.222 179.993 177.584 0.313 0.000 1.181 238 A CA 1.415 53.582 52.037 0.217 0.000 0.623 238 A CB -0.441 18.838 19.000 0.464 0.000 0.818 238 A HN 0.472 nan 8.150 nan 0.000 0.443 239 Q N -0.853 119.092 119.800 0.241 0.000 2.226 239 Q HA -0.146 4.194 4.340 -0.001 0.000 0.204 239 Q C 1.226 177.221 176.000 -0.009 0.000 0.975 239 Q CA 1.195 56.989 55.803 -0.016 0.000 0.866 239 Q CB -0.049 28.532 28.738 -0.261 0.000 0.915 239 Q HN 0.624 nan 8.270 nan 0.000 0.440 240 Q N -0.198 119.609 119.800 0.011 0.000 2.247 240 Q HA 0.158 4.498 4.340 -0.001 0.000 0.204 240 Q C -0.395 175.623 176.000 0.030 0.000 0.872 240 Q CA -0.074 55.731 55.803 0.004 0.000 0.951 240 Q CB 0.739 29.469 28.738 -0.014 0.000 1.099 240 Q HN 0.275 nan 8.270 nan 0.000 0.501 241 R N 0.955 121.479 120.500 0.040 0.000 3.333 241 R HA -0.199 4.140 4.340 -0.001 0.000 0.256 241 R C -0.223 176.108 176.300 0.052 0.000 1.010 241 R CA 0.478 56.591 56.100 0.022 0.000 0.680 241 R CB -1.884 28.453 30.300 0.061 0.000 1.102 241 R HN 0.405 nan 8.270 nan 0.000 0.440 242 Q N 0.086 119.909 119.800 0.038 0.000 2.182 242 Q HA 0.198 4.537 4.340 -0.001 0.000 0.270 242 Q C 1.231 177.319 176.000 0.147 0.000 0.861 242 Q CA -0.244 55.619 55.803 0.100 0.000 1.098 242 Q CB 0.552 29.315 28.738 0.041 0.000 1.188 242 Q HN 0.429 nan 8.270 nan 0.000 0.464 243 L N 0.107 121.345 121.223 0.025 0.000 2.395 243 L HA 0.039 4.379 4.340 -0.001 0.000 0.218 243 L C 0.370 177.216 176.870 -0.040 0.000 1.130 243 L CA 0.997 55.817 54.840 -0.034 0.000 0.826 243 L CB 0.319 42.167 42.059 -0.352 0.000 0.941 243 L HN 0.197 nan 8.230 nan 0.000 0.451 244 E N 0.186 120.410 120.200 0.041 0.000 2.176 244 E HA 0.499 4.848 4.350 -0.001 0.000 0.267 244 E C -1.247 175.258 176.600 -0.159 0.000 0.893 244 E CA -0.512 55.716 56.400 -0.287 0.000 0.761 244 E CB 1.556 31.264 29.700 0.015 0.000 1.133 244 E HN -0.010 nan 8.360 nan 0.000 0.409 245 F N -0.248 119.455 119.950 -0.412 0.000 2.686 245 F HA 0.484 5.011 4.527 -0.001 0.000 0.311 245 F C -1.488 174.199 175.800 -0.187 0.000 1.128 245 F CA -1.407 56.486 58.000 -0.178 0.000 0.946 245 F CB 0.800 39.732 39.000 -0.114 0.000 1.336 245 F HN 0.160 nan 8.300 nan 0.000 0.457 246 L N 2.550 123.942 121.223 0.281 0.000 2.282 246 L HA 0.168 4.508 4.340 -0.001 0.000 0.287 246 L C -1.085 176.019 176.870 0.390 0.000 1.075 246 L CA -0.248 54.749 54.840 0.261 0.000 0.839 246 L CB 0.449 42.660 42.059 0.253 0.000 1.219 246 L HN 0.574 nan 8.230 nan 0.000 0.434 247 W N 6.776 128.199 121.300 0.206 0.000 2.437 247 W HA 0.291 4.950 4.660 -0.001 0.000 0.312 247 W C 0.331 176.878 176.519 0.046 0.000 1.242 247 W CA -1.163 56.307 57.345 0.207 0.000 1.340 247 W CB 0.361 29.990 29.460 0.281 0.000 1.327 247 W HN 0.505 nan 8.180 nan 0.000 0.476 248 R N 3.751 124.427 120.500 0.293 0.000 2.828 248 R HA 0.541 4.880 4.340 -0.001 0.000 0.264 248 R C -0.141 176.069 176.300 -0.151 0.000 1.022 248 R CA -0.927 55.172 56.100 -0.001 0.000 1.021 248 R CB 1.109 31.394 30.300 -0.024 0.000 1.163 248 R HN 0.221 nan 8.270 nan 0.000 0.494 249 Q N 1.439 120.991 119.800 -0.413 0.000 2.394 249 Q HA 0.066 4.405 4.340 -0.001 0.000 0.248 249 Q C 1.465 177.086 176.000 -0.633 0.000 0.992 249 Q CA 0.080 55.438 55.803 -0.742 0.000 0.888 249 Q CB 0.863 28.675 28.738 -1.543 0.000 1.257 249 Q HN 0.850 nan 8.270 nan 0.000 0.462 250 I N -1.945 118.365 120.570 -0.433 0.000 2.530 250 I HA -0.174 3.995 4.170 -0.001 0.000 0.257 250 I C 1.284 177.356 176.117 -0.075 0.000 1.179 250 I CA 1.401 62.601 61.300 -0.168 0.000 1.440 250 I CB -0.351 37.644 38.000 -0.009 0.000 1.087 250 I HN 0.682 nan 8.210 nan 0.000 0.440 251 W N 1.207 122.572 121.300 0.108 0.000 3.220 251 W HA 0.367 5.027 4.660 -0.001 0.000 0.328 251 W C 0.284 176.886 176.519 0.138 0.000 1.205 251 W CA -0.627 56.846 57.345 0.212 0.000 1.773 251 W CB -0.687 28.984 29.460 0.351 0.000 1.086 251 W HN -0.077 nan 8.180 nan 0.000 0.622 252 D N 2.016 122.161 120.400 -0.425 0.000 2.383 252 D HA -0.044 4.595 4.640 -0.001 0.000 0.245 252 D C 1.071 177.345 176.300 -0.044 0.000 1.263 252 D CA 0.333 54.215 54.000 -0.197 0.000 0.936 252 D CB 0.104 40.699 40.800 -0.341 0.000 1.053 252 D HN 0.052 nan 8.370 nan 0.000 0.507 253 N N 3.537 122.271 118.700 0.055 0.000 2.300 253 N HA -0.105 4.635 4.740 -0.001 0.000 0.179 253 N C 1.335 176.865 175.510 0.034 0.000 1.016 253 N CA 0.549 53.625 53.050 0.044 0.000 0.876 253 N CB 0.241 38.774 38.487 0.077 0.000 0.979 253 N HN 0.410 nan 8.380 nan 0.000 0.432 254 K N -0.345 120.081 120.400 0.043 0.000 2.116 254 K HA -0.014 4.305 4.320 -0.001 0.000 0.203 254 K C 0.742 177.357 176.600 0.026 0.000 1.052 254 K CA 1.187 57.496 56.287 0.037 0.000 0.952 254 K CB 0.063 32.590 32.500 0.045 0.000 0.729 254 K HN 0.216 nan 8.250 nan 0.000 0.446 255 G N 0.990 109.798 108.800 0.012 0.000 2.148 255 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.203 255 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.203 255 G C 0.148 175.053 174.900 0.009 0.000 0.993 255 G CA 0.335 45.440 45.100 0.007 0.000 0.661 255 G HN 0.381 nan 8.290 nan 0.000 0.518 256 D N 0.643 121.050 120.400 0.011 0.000 2.310 256 D HA -0.055 4.584 4.640 -0.001 0.000 0.212 256 D C 2.537 178.831 176.300 -0.011 0.000 0.965 256 D CA 1.767 55.772 54.000 0.008 0.000 0.879 256 D CB -0.145 40.668 40.800 0.021 0.000 0.921 256 D HN 0.681 nan 8.370 nan 0.000 0.510 257 T N -1.966 112.572 114.554 -0.028 0.000 3.100 257 T HA 0.317 4.666 4.350 -0.001 0.000 0.253 257 T C 1.004 175.670 174.700 -0.056 0.000 1.118 257 T CA -0.089 61.976 62.100 -0.058 0.000 1.058 257 T CB 0.084 68.901 68.868 -0.084 0.000 0.953 257 T HN 0.067 nan 8.240 nan 0.000 0.515 258 A N 1.486 124.298 122.820 -0.014 0.000 2.565 258 A HA 0.513 4.832 4.320 -0.001 0.000 0.237 258 A C -0.240 177.369 177.584 0.041 0.000 1.053 258 A CA -0.215 51.845 52.037 0.038 0.000 0.755 258 A CB -0.212 18.834 19.000 0.076 0.000 0.980 258 A HN 0.570 nan 8.150 nan 0.000 0.506 259 L N 2.922 124.191 121.223 0.077 0.000 2.438 259 L HA 0.557 4.897 4.340 -0.001 0.000 0.270 259 L C -0.682 176.251 176.870 0.104 0.000 0.972 259 L CA -0.564 54.315 54.840 0.065 0.000 0.831 259 L CB 1.459 43.520 42.059 0.004 0.000 1.273 259 L HN 0.659 nan 8.230 nan 0.000 0.405 260 F N 3.924 123.839 119.950 -0.059 0.000 2.602 260 F HA 0.386 4.912 4.527 -0.001 0.000 0.385 260 F C 0.053 175.740 175.800 -0.188 0.000 1.063 260 F CA 0.794 58.725 58.000 -0.116 0.000 1.233 260 F CB 0.410 39.353 39.000 -0.095 0.000 1.067 260 F HN 0.578 nan 8.300 nan 0.000 0.564 261 T N 5.680 119.672 114.554 -0.936 0.000 2.861 261 T HA 0.281 4.631 4.350 -0.001 0.000 0.287 261 T C -1.225 172.833 174.700 -1.070 0.000 1.003 261 T CA -0.476 61.135 62.100 -0.815 0.000 0.977 261 T CB 1.238 69.663 68.868 -0.738 0.000 0.996 261 T HN 0.733 nan 8.240 nan 0.000 0.448 266 F N -0.702 119.253 119.950 0.008 0.000 0.000 266 F HA 0.391 4.918 4.527 -0.001 0.000 0.000 266 F C 2.143 178.035 175.800 0.154 0.000 0.000 266 F CA -1.165 56.884 58.000 0.080 0.000 0.000 266 F CB 0.349 39.338 39.000 -0.018 0.000 0.000 266 F HN -0.264 nan 8.300 nan 0.000 0.000 267 Y N 0.533 121.002 120.300 0.281 0.000 2.274 267 Y HA -0.068 4.482 4.550 -0.001 0.000 0.290 267 Y C 0.985 176.799 175.900 -0.144 0.000 1.145 267 Y CA 1.421 59.531 58.100 0.017 0.000 1.203 267 Y CB -0.070 38.305 38.460 -0.142 0.000 0.984 267 Y HN 0.359 nan 8.280 nan 0.000 0.533 268 S N -2.186 113.361 115.700 -0.255 0.000 2.638 268 S HA 0.275 4.745 4.470 -0.001 0.000 0.274 268 S C -0.365 174.152 174.600 -0.139 0.000 1.157 268 S CA -0.310 57.636 58.200 -0.423 0.000 0.826 268 S CB 0.314 63.182 63.200 -0.553 0.000 1.139 268 S HN 0.272 nan 8.310 nan 0.000 0.474 269 Y N 0.651 120.913 120.300 -0.063 0.000 2.457 269 Y HA 0.333 4.882 4.550 -0.001 0.000 0.263 269 Y C 0.373 176.363 175.900 0.149 0.000 1.164 269 Y CA -0.615 57.476 58.100 -0.015 0.000 1.274 269 Y CB -1.096 37.264 38.460 -0.166 0.000 1.097 269 Y HN 0.532 nan 8.280 nan 0.000 0.523 270 D N 0.705 121.141 120.400 0.060 0.000 2.371 270 D HA -0.012 4.627 4.640 -0.001 0.000 0.242 270 D C 1.284 177.729 176.300 0.242 0.000 1.218 270 D CA -0.403 53.719 54.000 0.203 0.000 0.945 270 D CB 0.845 41.722 40.800 0.128 0.000 1.137 270 D HN 0.242 nan 8.370 nan 0.000 0.464 271 I N -0.239 120.450 120.570 0.198 0.000 2.208 271 I HA -0.167 4.002 4.170 -0.001 0.000 0.245 271 I C -0.748 175.422 176.117 0.088 0.000 1.097 271 I CA 0.954 62.352 61.300 0.164 0.000 1.363 271 I CB -1.246 36.834 38.000 0.134 0.000 1.051 271 I HN 0.337 nan 8.210 nan 0.000 0.413 272 P HA -0.153 nan 4.420 nan 0.000 0.221 272 P C 0.603 177.617 177.300 -0.478 0.000 1.145 272 P CA 1.585 64.532 63.100 -0.255 0.000 0.795 272 P CB -0.086 31.480 31.700 -0.223 0.000 0.775 273 H N -2.939 116.134 119.070 0.004 0.000 2.486 273 H HA 0.224 4.780 4.556 -0.001 0.000 0.284 273 H C 0.838 176.278 175.328 0.187 0.000 1.103 273 H CA 0.545 56.608 56.048 0.025 0.000 1.089 273 H CB -0.239 29.602 29.762 0.132 0.000 1.603 273 H HN 0.096 nan 8.280 nan 0.000 0.557 274 T N -4.313 110.373 114.554 0.221 0.000 3.016 274 T HA -0.005 4.345 4.350 -0.001 0.000 0.271 274 T C 1.733 176.565 174.700 0.221 0.000 0.968 274 T CA 0.352 62.605 62.100 0.255 0.000 0.891 274 T CB -0.668 68.338 68.868 0.230 0.000 1.149 274 T HN 0.502 nan 8.240 nan 0.000 0.524 275 c N 1.268 119.972 118.600 0.174 0.000 2.551 275 c HA 0.748 5.317 4.570 -0.001 0.000 0.277 275 c C 1.279 175.494 174.090 0.208 0.000 1.349 275 c CA 0.510 56.976 56.329 0.228 0.000 1.750 275 c CB -0.817 41.786 42.510 0.156 0.000 2.058 275 c HN 0.829 nan 8.230 nan 0.000 0.518 276 G N -0.152 108.686 108.800 0.064 0.000 2.340 276 G HA2 0.428 4.388 3.960 -0.001 0.000 0.299 276 G HA3 0.428 4.388 3.960 -0.001 0.000 0.299 276 G C -2.661 171.874 174.900 -0.609 0.000 1.291 276 G CA 0.280 45.361 45.100 -0.032 0.000 0.841 276 G HN -0.109 nan 8.290 nan 0.000 0.500 277 P HA 0.077 nan 4.420 nan 0.000 0.229 277 P C -0.193 176.693 177.300 -0.689 0.000 1.160 277 P CA 1.015 63.445 63.100 -1.117 0.000 0.777 277 P CB 0.422 31.770 31.700 -0.588 0.000 0.814 278 D N 0.927 121.032 120.400 -0.492 0.000 2.454 278 D HA 0.143 4.783 4.640 -0.001 0.000 0.225 278 D C -1.422 174.532 176.300 -0.577 0.000 1.081 278 D CA -2.618 51.129 54.000 -0.422 0.000 0.864 278 D CB 1.338 41.978 40.800 -0.267 0.000 1.040 278 D HN 0.007 nan 8.370 nan 0.000 0.517 279 P HA -0.160 nan 4.420 nan 0.000 0.220 279 P C 1.236 177.725 177.300 -1.353 0.000 1.148 279 P CA 0.712 63.039 63.100 -1.288 0.000 0.803 279 P CB 0.538 31.152 31.700 -1.811 0.000 0.782 280 K N 0.231 119.979 120.400 -1.087 0.000 2.147 280 K HA -0.063 4.257 4.320 -0.001 0.000 0.205 280 K C 1.794 178.215 176.600 -0.298 0.000 1.049 280 K CA 1.059 57.009 56.287 -0.562 0.000 0.936 280 K CB -0.157 32.190 32.500 -0.256 0.000 0.722 280 K HN -0.045 nan 8.250 nan 0.000 0.446 281 V N 0.198 119.940 119.914 -0.288 0.000 2.426 281 V HA -0.212 3.907 4.120 -0.001 0.000 0.242 281 V C 2.377 178.447 176.094 -0.039 0.000 1.036 281 V CA 1.212 63.439 62.300 -0.122 0.000 1.044 281 V CB -0.254 31.515 31.823 -0.088 0.000 0.688 281 V HN 0.454 nan 8.190 nan 0.000 0.462 282 c N -0.581 117.928 118.600 -0.152 0.000 2.413 282 c HA -0.219 4.351 4.570 -0.001 0.000 0.277 282 c C 2.994 177.058 174.090 -0.044 0.000 1.265 282 c CA 0.962 57.259 56.329 -0.053 0.000 1.752 282 c CB -1.448 40.947 42.510 -0.192 0.000 1.998 282 c HN 0.761 nan 8.230 nan 0.000 0.489 283 c N 0.739 119.229 118.600 -0.184 0.000 2.410 283 c HA -0.147 4.422 4.570 -0.001 0.000 0.281 283 c C 2.615 176.604 174.090 -0.168 0.000 1.318 283 c CA 1.230 57.502 56.329 -0.095 0.000 1.776 283 c CB -1.471 41.069 42.510 0.050 0.000 1.942 283 c HN 0.640 nan 8.230 nan 0.000 0.508 284 Q N -1.392 118.251 119.800 -0.262 0.000 2.488 284 Q HA -0.021 4.318 4.340 -0.001 0.000 0.211 284 Q C 0.655 176.032 176.000 -1.038 0.000 0.967 284 Q CA 0.995 56.461 55.803 -0.561 0.000 0.926 284 Q CB -0.018 28.358 28.738 -0.602 0.000 0.992 284 Q HN 0.735 nan 8.270 nan 0.000 0.506 285 F N -0.189 119.490 119.950 -0.451 0.000 2.668 285 F HA 0.162 4.688 4.527 -0.001 0.000 0.301 285 F C 0.209 175.740 175.800 -0.449 0.000 1.106 285 F CA -0.535 57.103 58.000 -0.605 0.000 1.289 285 F CB 0.785 39.656 39.000 -0.214 0.000 1.006 285 F HN -0.147 nan 8.300 nan 0.000 0.535 286 D N 0.044 120.231 120.400 -0.354 0.000 2.485 286 D HA 0.131 4.771 4.640 -0.001 0.000 0.229 286 D C 0.525 176.651 176.300 -0.289 0.000 1.101 286 D CA -0.434 53.481 54.000 -0.142 0.000 0.906 286 D CB 0.035 40.798 40.800 -0.062 0.000 1.019 286 D HN 0.088 nan 8.370 nan 0.000 0.516 287 F N 1.677 121.628 119.950 0.003 0.000 2.722 287 F HA 0.045 4.571 4.527 -0.001 0.000 0.298 287 F C 2.324 178.060 175.800 -0.106 0.000 1.175 287 F CA 0.409 58.382 58.000 -0.045 0.000 1.462 287 F CB 0.049 39.044 39.000 -0.008 0.000 1.111 287 F HN 0.256 nan 8.300 nan 0.000 0.592 288 K N 0.333 120.658 120.400 -0.125 0.000 2.444 288 K HA 0.083 4.403 4.320 -0.001 0.000 0.193 288 K C 0.769 177.303 176.600 -0.109 0.000 1.024 288 K CA 0.061 56.122 56.287 -0.378 0.000 1.077 288 K CB 0.372 32.502 32.500 -0.616 0.000 0.833 288 K HN 0.186 nan 8.250 nan 0.000 0.517 292 S N 0.510 116.188 115.700 -0.037 0.000 2.469 292 S HA 0.084 4.554 4.470 -0.001 0.000 0.238 292 S C 1.697 176.125 174.600 -0.286 0.000 0.998 292 S CA 1.300 59.381 58.200 -0.199 0.000 0.957 292 S CB -0.485 62.512 63.200 -0.338 0.000 0.764 292 S HN 0.238 nan 8.310 nan 0.000 0.514 293 F N 1.775 121.723 119.950 -0.004 0.000 2.765 293 F HA 0.416 4.943 4.527 -0.001 0.000 0.302 293 F C 1.877 177.676 175.800 -0.002 0.000 1.111 293 F CA 0.036 58.032 58.000 -0.006 0.000 1.359 293 F CB -0.121 38.873 39.000 -0.011 0.000 1.097 293 F HN 0.364 nan 8.300 nan 0.000 0.577 294 G N 1.292 110.168 108.800 0.127 0.000 2.160 294 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.251 294 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.251 294 G C -0.171 174.782 174.900 0.089 0.000 1.008 294 G CA 0.037 45.186 45.100 0.082 0.000 0.724 294 G HN 0.311 nan 8.290 nan 0.000 0.514 295 L N -0.017 121.271 121.223 0.109 0.000 2.354 295 L HA 0.868 5.207 4.340 -0.001 0.000 0.264 295 L C 0.482 177.386 176.870 0.056 0.000 1.008 295 L CA -0.376 54.510 54.840 0.077 0.000 0.819 295 L CB 2.382 44.484 42.059 0.072 0.000 1.339 295 L HN 0.472 nan 8.230 nan 0.000 0.420 296 S N -0.708 115.012 115.700 0.034 0.000 2.688 296 S HA 0.542 5.012 4.470 -0.001 0.000 0.275 296 S C -1.322 173.291 174.600 0.021 0.000 1.175 296 S CA -0.795 57.416 58.200 0.019 0.000 0.818 296 S CB 1.652 64.855 63.200 0.004 0.000 1.157 296 S HN 0.521 nan 8.310 nan 0.000 0.482 297 c N 3.086 121.701 118.600 0.025 0.000 2.264 297 c HA 0.565 5.134 4.570 -0.001 0.000 0.324 297 c C -0.920 173.161 174.090 -0.014 0.000 1.267 297 c CA -1.217 55.161 56.329 0.082 0.000 1.618 297 c CB 0.938 43.531 42.510 0.138 0.000 2.278 297 c HN 0.781 nan 8.230 nan 0.000 0.499 298 P HA -0.098 nan 4.420 nan 0.000 0.225 298 P C 0.998 178.029 177.300 -0.448 0.000 1.148 298 P CA 1.237 64.078 63.100 -0.431 0.000 0.779 298 P CB 0.110 31.382 31.700 -0.713 0.000 0.780 299 W N 0.740 122.017 121.300 -0.038 0.000 3.292 299 W HA 0.176 4.835 4.660 -0.001 0.000 0.263 299 W C 0.824 177.315 176.519 -0.047 0.000 1.318 299 W CA 0.126 57.444 57.345 -0.047 0.000 1.663 299 W CB -0.482 28.940 29.460 -0.063 0.000 1.114 299 W HN 0.159 nan 8.180 nan 0.000 0.706 300 K N -1.186 119.259 120.400 0.076 0.000 3.547 300 K HA -0.204 4.116 4.320 -0.001 0.000 0.309 300 K C 0.056 176.676 176.600 0.033 0.000 1.324 300 K CA 1.194 57.502 56.287 0.035 0.000 0.988 300 K CB -2.069 30.444 32.500 0.021 0.000 1.261 300 K HN 0.053 nan 8.250 nan 0.000 0.444 301 V N -0.813 119.133 119.914 0.053 0.000 2.326 301 V HA 0.531 4.650 4.120 -0.001 0.000 0.281 301 V C -2.049 174.029 176.094 -0.027 0.000 1.015 301 V CA -1.938 60.363 62.300 0.001 0.000 0.823 301 V CB 1.198 33.013 31.823 -0.013 0.000 1.009 301 V HN -0.091 nan 8.190 nan 0.000 0.436 302 P HA 0.418 nan 4.420 nan 0.000 0.276 302 P C -2.691 174.518 177.300 -0.152 0.000 1.252 302 P CA -1.634 61.422 63.100 -0.073 0.000 0.802 302 P CB 0.707 32.379 31.700 -0.046 0.000 1.035 303 P HA 0.281 nan 4.420 nan 0.000 0.274 303 P C -0.498 176.684 177.300 -0.197 0.000 1.231 303 P CA -0.081 62.807 63.100 -0.354 0.000 0.790 303 P CB 1.016 32.424 31.700 -0.486 0.000 0.951 304 R N 0.279 120.666 120.500 -0.189 0.000 2.561 304 R HA 0.367 4.706 4.340 -0.001 0.000 0.297 304 R C -0.194 176.155 176.300 0.083 0.000 0.969 304 R CA -0.597 55.474 56.100 -0.049 0.000 0.879 304 R CB 1.434 31.685 30.300 -0.083 0.000 1.178 304 R HN 0.385 nan 8.270 nan 0.000 0.445 305 T N 4.331 118.941 114.554 0.094 0.000 2.905 305 T HA 0.018 4.368 4.350 -0.001 0.000 0.299 305 T C 0.822 175.529 174.700 0.011 0.000 1.024 305 T CA 0.150 62.293 62.100 0.071 0.000 1.151 305 T CB 0.100 68.982 68.868 0.023 0.000 0.987 305 T HN 0.205 nan 8.240 nan 0.000 0.535 306 I N 4.002 124.541 120.570 -0.051 0.000 2.588 306 I HA 0.227 4.396 4.170 -0.001 0.000 0.283 306 I C 1.009 177.084 176.117 -0.070 0.000 1.119 306 I CA 0.126 61.385 61.300 -0.068 0.000 1.419 306 I CB 0.153 38.075 38.000 -0.131 0.000 1.394 306 I HN 0.778 nan 8.210 nan 0.000 0.562 307 S N 3.234 118.900 115.700 -0.057 0.000 2.627 307 S HA 0.427 4.897 4.470 -0.001 0.000 0.283 307 S C 0.203 174.770 174.600 -0.056 0.000 1.127 307 S CA -0.776 57.395 58.200 -0.048 0.000 0.863 307 S CB 2.018 65.198 63.200 -0.034 0.000 1.121 307 S HN 0.481 nan 8.310 nan 0.000 0.479 308 D N 0.685 121.061 120.400 -0.041 0.000 2.218 308 D HA -0.096 4.543 4.640 -0.001 0.000 0.204 308 D C 1.717 177.986 176.300 -0.051 0.000 0.976 308 D CA 1.410 55.385 54.000 -0.042 0.000 0.853 308 D CB -0.104 40.688 40.800 -0.013 0.000 0.939 308 D HN 0.729 nan 8.370 nan 0.000 0.481 309 Q N 0.371 120.147 119.800 -0.040 0.000 2.245 309 Q HA -0.115 4.225 4.340 -0.001 0.000 0.201 309 Q C 0.804 176.778 176.000 -0.044 0.000 0.955 309 Q CA 1.193 56.975 55.803 -0.034 0.000 0.870 309 Q CB 0.184 28.909 28.738 -0.023 0.000 0.945 309 Q HN 0.306 nan 8.270 nan 0.000 0.461 310 N N -1.432 117.235 118.700 -0.055 0.000 2.159 310 N HA -0.055 4.684 4.740 -0.001 0.000 0.217 310 N C 1.204 176.668 175.510 -0.076 0.000 1.223 310 N CA 0.350 53.369 53.050 -0.052 0.000 0.896 310 N CB -0.032 38.432 38.487 -0.039 0.000 1.064 310 N HN 0.040 nan 8.380 nan 0.000 0.518 311 V N 0.556 120.390 119.914 -0.133 0.000 2.392 311 V HA -0.159 3.960 4.120 -0.001 0.000 0.249 311 V C 2.256 178.173 176.094 -0.295 0.000 1.059 311 V CA 2.183 64.358 62.300 -0.208 0.000 1.051 311 V CB -0.892 30.762 31.823 -0.281 0.000 0.658 311 V HN 0.456 nan 8.190 nan 0.000 0.455 312 A N -0.220 122.399 122.820 -0.335 0.000 1.877 312 A HA -0.069 4.251 4.320 -0.001 0.000 0.216 312 A C 2.423 180.068 177.584 0.102 0.000 1.186 312 A CA 2.258 54.238 52.037 -0.095 0.000 0.620 312 A CB -1.038 17.972 19.000 0.016 0.000 0.822 312 A HN 0.817 nan 8.150 nan 0.000 0.443 313 A N -0.717 122.127 122.820 0.039 0.000 1.930 313 A HA -0.095 4.224 4.320 -0.001 0.000 0.217 313 A C 2.227 179.857 177.584 0.076 0.000 1.175 313 A CA 1.250 53.324 52.037 0.062 0.000 0.627 313 A CB -0.403 18.613 19.000 0.026 0.000 0.815 313 A HN 0.407 nan 8.150 nan 0.000 0.443 314 R N 0.146 120.683 120.500 0.061 0.000 2.081 314 R HA -0.054 4.285 4.340 -0.001 0.000 0.235 314 R C 2.391 178.752 176.300 0.102 0.000 1.131 314 R CA 1.581 57.766 56.100 0.142 0.000 0.960 314 R CB -1.005 29.373 30.300 0.129 0.000 0.856 314 R HN 0.524 nan 8.270 nan 0.000 0.436 315 S N 1.185 116.901 115.700 0.027 0.000 2.368 315 S HA -0.155 4.315 4.470 -0.001 0.000 0.225 315 S C 1.528 176.034 174.600 -0.157 0.000 1.030 315 S CA 1.493 59.618 58.200 -0.124 0.000 0.999 315 S CB -0.295 62.965 63.200 0.100 0.000 0.844 315 S HN 0.318 nan 8.310 nan 0.000 0.459 316 D N 1.254 121.747 120.400 0.154 0.000 2.123 316 D HA -0.058 4.581 4.640 -0.001 0.000 0.196 316 D C 1.814 178.137 176.300 0.039 0.000 0.992 316 D CA 0.921 55.061 54.000 0.234 0.000 0.833 316 D CB -0.191 40.763 40.800 0.255 0.000 0.954 316 D HN 0.273 nan 8.370 nan 0.000 0.455 317 L N -0.391 120.828 121.223 -0.007 0.000 2.027 317 L HA -0.117 4.223 4.340 -0.001 0.000 0.206 317 L C 2.342 179.059 176.870 -0.255 0.000 1.074 317 L CA 0.498 55.312 54.840 -0.043 0.000 0.745 317 L CB -0.353 41.751 42.059 0.075 0.000 0.898 317 L HN 0.191 nan 8.230 nan 0.000 0.433 318 L N -0.646 120.250 121.223 -0.546 0.000 2.017 318 L HA -0.154 4.186 4.340 -0.001 0.000 0.208 318 L C 2.357 178.562 176.870 -1.109 0.000 1.073 318 L CA 1.631 55.805 54.840 -1.109 0.000 0.745 318 L CB -0.403 40.669 42.059 -1.645 0.000 0.894 318 L HN -0.073 nan 8.230 nan 0.000 0.432 319 V N -0.072 119.314 119.914 -0.879 0.000 2.407 319 V HA -0.312 3.808 4.120 -0.001 0.000 0.248 319 V C 2.308 178.260 176.094 -0.236 0.000 1.055 319 V CA 1.915 63.865 62.300 -0.583 0.000 1.049 319 V CB -0.807 30.692 31.823 -0.540 0.000 0.662 319 V HN 0.588 nan 8.190 nan 0.000 0.455 320 D N -0.790 119.525 120.400 -0.141 0.000 2.117 320 D HA -0.199 4.441 4.640 -0.001 0.000 0.197 320 D C 2.246 178.550 176.300 0.008 0.000 0.987 320 D CA 1.158 55.188 54.000 0.050 0.000 0.829 320 D CB -0.005 40.864 40.800 0.114 0.000 0.961 320 D HN 0.295 nan 8.370 nan 0.000 0.460 321 Q N -0.558 119.171 119.800 -0.118 0.000 2.084 321 Q HA -0.127 4.213 4.340 -0.001 0.000 0.202 321 Q C 2.139 178.173 176.000 0.057 0.000 0.978 321 Q CA 0.926 56.682 55.803 -0.078 0.000 0.844 321 Q CB -0.555 28.071 28.738 -0.186 0.000 0.898 321 Q HN 0.543 nan 8.270 nan 0.000 0.426 322 W N 1.551 122.759 121.300 -0.153 0.000 2.335 322 W HA -0.111 4.548 4.660 -0.001 0.000 0.311 322 W C 2.062 178.477 176.519 -0.174 0.000 1.213 322 W CA 0.802 58.053 57.345 -0.157 0.000 1.274 322 W CB -0.664 28.673 29.460 -0.206 0.000 1.148 322 W HN 0.210 nan 8.180 nan 0.000 0.498 323 K N 0.095 120.474 120.400 -0.036 0.000 2.211 323 K HA -0.132 4.187 4.320 -0.001 0.000 0.203 323 K C 1.919 178.392 176.600 -0.211 0.000 1.050 323 K CA 1.127 57.236 56.287 -0.298 0.000 0.945 323 K CB -0.190 31.824 32.500 -0.809 0.000 0.732 323 K HN 0.101 nan 8.250 nan 0.000 0.451 324 K N 0.899 121.281 120.400 -0.030 0.000 2.062 324 K HA -0.115 4.204 4.320 -0.001 0.000 0.205 324 K C 2.087 178.767 176.600 0.133 0.000 1.051 324 K CA 1.010 57.390 56.287 0.154 0.000 0.941 324 K CB 0.041 32.641 32.500 0.167 0.000 0.719 324 K HN 0.005 nan 8.250 nan 0.000 0.440 325 K N 0.930 121.409 120.400 0.132 0.000 2.057 325 K HA -0.112 4.208 4.320 -0.001 0.000 0.207 325 K C 2.038 178.760 176.600 0.204 0.000 1.049 325 K CA 1.220 57.605 56.287 0.164 0.000 0.931 325 K CB -0.088 32.522 32.500 0.182 0.000 0.714 325 K HN 0.117 nan 8.250 nan 0.000 0.440 326 A N 1.291 124.212 122.820 0.168 0.000 2.024 326 A HA -0.153 4.166 4.320 -0.001 0.000 0.220 326 A C 1.728 179.483 177.584 0.284 0.000 1.164 326 A CA 1.410 53.581 52.037 0.223 0.000 0.643 326 A CB -0.346 18.733 19.000 0.132 0.000 0.806 326 A HN 0.322 nan 8.150 nan 0.000 0.451 327 E N -0.021 120.322 120.200 0.239 0.000 2.268 327 E HA -0.082 4.267 4.350 -0.001 0.000 0.195 327 E C 1.641 178.371 176.600 0.216 0.000 0.995 327 E CA 0.647 57.199 56.400 0.253 0.000 0.836 327 E CB -0.232 29.643 29.700 0.292 0.000 0.763 327 E HN 0.732 nan 8.360 nan 0.000 0.491 328 L N -0.538 120.772 121.223 0.144 0.000 2.554 328 L HA 0.029 4.369 4.340 -0.001 0.000 0.226 328 L C 0.319 176.979 176.870 -0.350 0.000 1.137 328 L CA 0.287 55.082 54.840 -0.075 0.000 0.863 328 L CB -0.122 41.781 42.059 -0.260 0.000 0.985 328 L HN -0.002 nan 8.230 nan 0.000 0.451 329 Y N -1.488 118.898 120.300 0.143 0.000 2.630 329 Y HA 0.378 4.928 4.550 -0.001 0.000 0.337 329 Y C 1.205 177.221 175.900 0.193 0.000 1.051 329 Y CA -0.992 57.213 58.100 0.175 0.000 1.121 329 Y CB 1.067 39.643 38.460 0.193 0.000 1.299 329 Y HN -0.278 nan 8.280 nan 0.000 0.498 330 R N -0.562 120.174 120.500 0.393 0.000 2.254 330 R HA 0.090 4.429 4.340 -0.001 0.000 0.195 330 R C 0.284 176.711 176.300 0.211 0.000 0.957 330 R CA 0.739 56.982 56.100 0.238 0.000 1.024 330 R CB 0.180 30.552 30.300 0.121 0.000 0.952 330 R HN 0.746 nan 8.270 nan 0.000 0.484 331 T N -0.879 113.845 114.554 0.283 0.000 2.922 331 T HA 0.116 4.466 4.350 -0.001 0.000 0.281 331 T C 0.612 175.462 174.700 0.249 0.000 1.005 331 T CA -0.963 61.270 62.100 0.222 0.000 0.982 331 T CB 1.260 70.237 68.868 0.183 0.000 1.158 331 T HN 0.077 nan 8.240 nan 0.000 0.566 332 N N 0.072 118.894 118.700 0.203 0.000 2.327 332 N HA 0.138 4.877 4.740 -0.001 0.000 0.231 332 N C -0.724 174.800 175.510 0.024 0.000 1.130 332 N CA -0.359 52.806 53.050 0.190 0.000 0.845 332 N CB -0.037 38.486 38.487 0.061 0.000 1.073 332 N HN 0.372 nan 8.380 nan 0.000 0.496 333 V N 1.416 121.364 119.914 0.057 0.000 2.409 333 V HA 0.400 4.520 4.120 -0.001 0.000 0.291 333 V C -0.578 175.605 176.094 0.148 0.000 1.020 333 V CA -0.958 61.373 62.300 0.051 0.000 0.848 333 V CB 1.505 33.328 31.823 0.001 0.000 0.990 333 V HN 0.179 nan 8.190 nan 0.000 0.430 334 L N 5.800 127.049 121.223 0.044 0.000 2.322 334 L HA 0.702 5.041 4.340 -0.001 0.000 0.281 334 L C -0.822 175.925 176.870 -0.206 0.000 1.014 334 L CA -0.474 54.316 54.840 -0.083 0.000 0.815 334 L CB 1.681 43.590 42.059 -0.250 0.000 1.247 334 L HN 0.636 nan 8.230 nan 0.000 0.421 335 L N 6.302 127.195 121.223 -0.550 0.000 2.264 335 L HA 0.574 4.913 4.340 -0.001 0.000 0.289 335 L C -1.123 175.459 176.870 -0.480 0.000 1.044 335 L CA 0.108 54.462 54.840 -0.811 0.000 0.807 335 L CB 0.816 41.883 42.059 -1.653 0.000 1.192 335 L HN 0.439 nan 8.230 nan 0.000 0.425 336 I N 7.364 127.735 120.570 -0.332 0.000 2.537 336 I HA 0.355 4.525 4.170 -0.001 0.000 0.276 336 I C -2.304 173.795 176.117 -0.030 0.000 1.063 336 I CA -2.017 59.181 61.300 -0.171 0.000 1.144 336 I CB 1.115 38.985 38.000 -0.217 0.000 1.252 336 I HN 0.437 nan 8.210 nan 0.000 0.480 337 P HA 0.186 nan 4.420 nan 0.000 0.271 337 P C -0.473 177.008 177.300 0.300 0.000 1.218 337 P CA -0.271 62.965 63.100 0.227 0.000 0.780 337 P CB 0.879 32.755 31.700 0.293 0.000 0.901 338 L N 2.918 124.354 121.223 0.354 0.000 2.462 338 L HA 0.754 5.094 4.340 -0.001 0.000 0.255 338 L C -0.142 176.790 176.870 0.103 0.000 1.076 338 L CA 0.375 55.345 54.840 0.217 0.000 0.920 338 L CB 0.421 42.544 42.059 0.107 0.000 1.214 338 L HN 0.606 nan 8.230 nan 0.000 0.472 339 G N 1.555 110.299 108.800 -0.093 0.000 2.430 339 G HA2 0.486 4.446 3.960 -0.001 0.000 0.300 339 G HA3 0.486 4.446 3.960 -0.001 0.000 0.300 339 G C -2.181 172.619 174.900 -0.166 0.000 1.330 339 G CA -0.249 44.566 45.100 -0.476 0.000 0.813 339 G HN 0.361 nan 8.290 nan 0.000 0.487 340 D N -1.729 118.637 120.400 -0.058 0.000 2.865 340 D HA 0.302 4.942 4.640 -0.001 0.000 0.343 340 D C -1.456 174.989 176.300 0.240 0.000 1.372 340 D CA -0.446 53.696 54.000 0.236 0.000 0.862 340 D CB 1.409 42.303 40.800 0.157 0.000 1.425 340 D HN 0.214 nan 8.370 nan 0.000 0.501 341 D N 0.442 121.041 120.400 0.332 0.000 2.434 341 D HA 0.179 4.818 4.640 -0.001 0.000 0.252 341 D C 0.157 176.628 176.300 0.286 0.000 1.185 341 D CA 0.580 54.762 54.000 0.303 0.000 0.886 341 D CB -0.392 40.683 40.800 0.457 0.000 1.148 341 D HN 0.334 nan 8.370 nan 0.000 0.483 342 F N 0.366 120.383 119.950 0.113 0.000 3.019 342 F HA -0.315 4.211 4.527 -0.001 0.000 0.259 342 F C 1.156 177.004 175.800 0.081 0.000 0.976 342 F CA 0.580 58.626 58.000 0.077 0.000 0.876 342 F CB -0.837 38.198 39.000 0.058 0.000 0.784 342 F HN 0.219 nan 8.300 nan 0.000 0.786 343 R N -0.400 120.195 120.500 0.158 0.000 2.580 343 R HA 0.495 4.835 4.340 -0.001 0.000 0.267 343 R C 0.659 176.988 176.300 0.049 0.000 1.125 343 R CA -0.893 55.191 56.100 -0.027 0.000 1.188 343 R CB -0.042 30.137 30.300 -0.203 0.000 1.155 343 R HN 0.235 nan 8.270 nan 0.000 0.586 344 F N -0.528 119.252 119.950 -0.282 0.000 3.039 344 F HA -0.281 4.246 4.527 -0.001 0.000 0.287 344 F C 1.364 177.128 175.800 -0.059 0.000 0.956 344 F CA 1.006 58.641 58.000 -0.608 0.000 0.971 344 F CB -0.855 37.478 39.000 -1.112 0.000 0.943 344 F HN 0.590 nan 8.300 nan 0.000 0.766 345 K N 0.036 120.504 120.400 0.114 0.000 2.190 345 K HA 0.100 4.419 4.320 -0.001 0.000 0.202 345 K C 0.645 177.407 176.600 0.269 0.000 1.045 345 K CA 0.653 57.084 56.287 0.240 0.000 0.976 345 K CB 0.296 32.906 32.500 0.184 0.000 0.849 345 K HN 0.469 nan 8.250 nan 0.000 0.468 346 Q N 0.890 120.820 119.800 0.216 0.000 2.230 346 Q HA 0.180 4.519 4.340 -0.001 0.000 0.248 346 Q C 0.259 176.465 176.000 0.344 0.000 0.915 346 Q CA -0.601 55.354 55.803 0.253 0.000 0.900 346 Q CB 1.422 30.327 28.738 0.278 0.000 1.229 346 Q HN 0.171 nan 8.270 nan 0.000 0.439 347 N N 0.809 119.709 118.700 0.332 0.000 2.104 347 N HA -0.166 4.573 4.740 -0.001 0.000 0.190 347 N C 1.701 177.388 175.510 0.295 0.000 1.024 347 N CA 2.140 55.436 53.050 0.409 0.000 0.853 347 N CB -0.274 38.438 38.487 0.376 0.000 1.008 347 N HN 0.744 nan 8.380 nan 0.000 0.424 348 T N -0.984 113.733 114.554 0.273 0.000 2.833 348 T HA -0.143 4.206 4.350 -0.001 0.000 0.269 348 T C 1.722 176.611 174.700 0.315 0.000 1.054 348 T CA 1.254 63.525 62.100 0.284 0.000 1.135 348 T CB -0.168 68.858 68.868 0.262 0.000 0.869 348 T HN 0.348 nan 8.240 nan 0.000 0.466 349 E N -0.221 120.119 120.200 0.233 0.000 2.072 349 E HA -0.105 4.244 4.350 -0.001 0.000 0.191 349 E C 1.844 178.340 176.600 -0.174 0.000 0.985 349 E CA 0.812 57.117 56.400 -0.159 0.000 0.801 349 E CB -0.265 29.186 29.700 -0.415 0.000 0.750 349 E HN 0.710 nan 8.360 nan 0.000 0.452 350 W N 1.807 122.999 121.300 -0.181 0.000 2.335 350 W HA -0.186 4.473 4.660 -0.001 0.000 0.311 350 W C 2.134 178.562 176.519 -0.152 0.000 1.213 350 W CA 1.303 58.506 57.345 -0.237 0.000 1.274 350 W CB -0.258 28.657 29.460 -0.909 0.000 1.148 350 W HN 0.182 nan 8.180 nan 0.000 0.498 351 D N -0.471 120.000 120.400 0.118 0.000 2.097 351 D HA -0.186 4.454 4.640 -0.001 0.000 0.195 351 D C 2.284 178.642 176.300 0.095 0.000 0.989 351 D CA 1.606 55.690 54.000 0.139 0.000 0.827 351 D CB -1.084 39.814 40.800 0.163 0.000 0.966 351 D HN 0.044 nan 8.370 nan 0.000 0.456 352 V N 1.072 121.038 119.914 0.087 0.000 2.343 352 V HA -0.239 3.881 4.120 -0.001 0.000 0.247 352 V C 2.248 178.350 176.094 0.012 0.000 1.051 352 V CA 1.694 64.028 62.300 0.056 0.000 1.036 352 V CB -0.105 31.799 31.823 0.135 0.000 0.654 352 V HN 0.154 nan 8.190 nan 0.000 0.451 353 Q N -0.346 119.499 119.800 0.075 0.000 2.049 353 Q HA -0.182 4.157 4.340 -0.001 0.000 0.198 353 Q C 2.356 178.529 176.000 0.288 0.000 0.971 353 Q CA 1.943 57.885 55.803 0.231 0.000 0.833 353 Q CB -0.497 28.345 28.738 0.173 0.000 0.896 353 Q HN 0.642 nan 8.270 nan 0.000 0.434 354 R N 0.570 121.199 120.500 0.215 0.000 2.070 354 R HA -0.115 4.225 4.340 -0.001 0.000 0.233 354 R C 2.272 178.712 176.300 0.233 0.000 1.137 354 R CA 1.473 57.736 56.100 0.271 0.000 0.945 354 R CB -0.154 30.252 30.300 0.176 0.000 0.845 354 R HN 0.060 nan 8.270 nan 0.000 0.430 355 V N 2.104 122.074 119.914 0.093 0.000 2.287 355 V HA -0.274 3.845 4.120 -0.001 0.000 0.248 355 V C 2.071 178.091 176.094 -0.124 0.000 1.053 355 V CA 2.046 64.353 62.300 0.011 0.000 1.027 355 V CB -0.676 31.142 31.823 -0.008 0.000 0.646 355 V HN 0.454 nan 8.190 nan 0.000 0.447 356 N N -0.845 117.660 118.700 -0.326 0.000 2.120 356 N HA -0.165 4.575 4.740 -0.001 0.000 0.188 356 N C 1.849 177.032 175.510 -0.544 0.000 1.024 356 N CA 1.637 54.290 53.050 -0.662 0.000 0.852 356 N CB -0.314 37.123 38.487 -1.751 0.000 1.003 356 N HN 0.545 nan 8.380 nan 0.000 0.424 357 Y N 1.865 121.953 120.300 -0.354 0.000 2.293 357 Y HA -0.051 4.498 4.550 -0.001 0.000 0.291 357 Y C 2.356 177.749 175.900 -0.845 0.000 1.137 357 Y CA 0.927 58.707 58.100 -0.533 0.000 1.202 357 Y CB -0.024 38.208 38.460 -0.379 0.000 0.990 357 Y HN 0.124 nan 8.280 nan 0.000 0.537 358 E N -0.164 119.894 120.200 -0.235 0.000 2.077 358 E HA -0.233 4.117 4.350 -0.001 0.000 0.193 358 E C 2.191 178.743 176.600 -0.080 0.000 0.989 358 E CA 1.116 57.464 56.400 -0.088 0.000 0.800 358 E CB -0.124 29.642 29.700 0.110 0.000 0.746 358 E HN 0.461 nan 8.360 nan 0.000 0.452 359 R N 0.292 120.723 120.500 -0.116 0.000 2.092 359 R HA -0.089 4.250 4.340 -0.001 0.000 0.231 359 R C 2.430 178.703 176.300 -0.044 0.000 1.119 359 R CA 0.836 56.898 56.100 -0.064 0.000 0.970 359 R CB -0.210 30.032 30.300 -0.098 0.000 0.864 359 R HN 0.166 nan 8.270 nan 0.000 0.440 360 L N -0.531 120.598 121.223 -0.156 0.000 2.056 360 L HA -0.118 4.222 4.340 -0.001 0.000 0.207 360 L C 2.180 179.107 176.870 0.094 0.000 1.078 360 L CA 1.392 56.179 54.840 -0.089 0.000 0.749 360 L CB -0.408 41.505 42.059 -0.243 0.000 0.901 360 L HN 0.162 nan 8.230 nan 0.000 0.433 361 F N 0.097 120.054 119.950 0.011 0.000 2.102 361 F HA -0.266 4.261 4.527 -0.001 0.000 0.298 361 F C 2.726 178.524 175.800 -0.002 0.000 1.105 361 F CA 1.072 59.063 58.000 -0.015 0.000 1.239 361 F CB -0.220 38.730 39.000 -0.085 0.000 0.991 361 F HN 0.168 nan 8.300 nan 0.000 0.474 362 E N -0.090 120.241 120.200 0.218 0.000 2.085 362 E HA -0.316 4.033 4.350 -0.001 0.000 0.194 362 E C 1.974 178.658 176.600 0.140 0.000 0.994 362 E CA 1.635 58.122 56.400 0.144 0.000 0.801 362 E CB -0.171 29.600 29.700 0.118 0.000 0.743 362 E HN 0.446 nan 8.360 nan 0.000 0.453 363 H N 0.267 119.384 119.070 0.079 0.000 2.276 363 H HA -0.042 4.513 4.556 -0.001 0.000 0.301 363 H C 2.062 177.474 175.328 0.140 0.000 1.073 363 H CA 2.130 58.237 56.048 0.099 0.000 1.311 363 H CB -0.255 29.564 29.762 0.094 0.000 1.379 363 H HN 0.137 nan 8.280 nan 0.000 0.494 364 I N 0.507 121.121 120.570 0.073 0.000 2.151 364 I HA -0.324 3.846 4.170 -0.001 0.000 0.243 364 I C 1.662 177.786 176.117 0.011 0.000 1.080 364 I CA 1.558 62.843 61.300 -0.024 0.000 1.339 364 I CB -0.355 37.567 38.000 -0.130 0.000 1.039 364 I HN 0.364 nan 8.210 nan 0.000 0.409 365 N N 0.376 119.079 118.700 0.005 0.000 2.453 365 N HA -0.108 4.632 4.740 -0.001 0.000 0.183 365 N C 1.812 177.299 175.510 -0.039 0.000 1.041 365 N CA 1.453 54.485 53.050 -0.030 0.000 0.900 365 N CB -0.265 38.196 38.487 -0.042 0.000 0.961 365 N HN 0.438 nan 8.380 nan 0.000 0.443 366 S N -1.029 114.643 115.700 -0.047 0.000 2.517 366 S HA 0.136 4.605 4.470 -0.001 0.000 0.214 366 S C 0.606 175.141 174.600 -0.108 0.000 0.991 366 S CA -0.162 58.003 58.200 -0.059 0.000 0.906 366 S CB 0.285 63.466 63.200 -0.031 0.000 0.789 366 S HN -0.032 nan 8.310 nan 0.000 0.513 367 Q N 1.458 121.154 119.800 -0.172 0.000 2.503 367 Q HA 0.542 4.881 4.340 -0.001 0.000 0.227 367 Q C 1.042 176.834 176.000 -0.347 0.000 1.109 367 Q CA 0.133 55.748 55.803 -0.313 0.000 0.922 367 Q CB 1.055 29.456 28.738 -0.561 0.000 1.249 367 Q HN 0.459 nan 8.270 nan 0.000 0.530 368 A N 2.713 125.416 122.820 -0.196 0.000 1.958 368 A HA -0.286 4.033 4.320 -0.001 0.000 0.221 368 A C 1.616 179.114 177.584 -0.142 0.000 1.178 368 A CA 2.300 54.261 52.037 -0.126 0.000 0.642 368 A CB -0.781 18.183 19.000 -0.061 0.000 0.816 368 A HN 0.892 nan 8.150 nan 0.000 0.453 369 H N -3.193 115.797 119.070 -0.134 0.000 2.518 369 H HA -0.045 4.510 4.556 -0.001 0.000 0.292 369 H C 1.513 176.784 175.328 -0.096 0.000 1.068 369 H CA 1.585 57.541 56.048 -0.153 0.000 1.275 369 H CB -0.766 28.843 29.762 -0.254 0.000 1.375 369 H HN 0.537 nan 8.280 nan 0.000 0.563 370 F N 0.706 120.427 119.950 -0.382 0.000 2.293 370 F HA -0.010 4.517 4.527 -0.001 0.000 0.297 370 F C 0.677 176.435 175.800 -0.071 0.000 1.089 370 F CA 0.233 58.128 58.000 -0.176 0.000 1.377 370 F CB 0.108 38.947 39.000 -0.269 0.000 1.051 370 F HN 0.127 nan 8.300 nan 0.000 0.511 371 N N 0.829 119.586 118.700 0.095 0.000 2.738 371 N HA -0.161 4.579 4.740 -0.001 0.000 0.249 371 N C -1.215 174.290 175.510 -0.010 0.000 1.047 371 N CA 0.382 53.465 53.050 0.056 0.000 0.707 371 N CB -1.516 37.050 38.487 0.132 0.000 0.937 371 N HN 0.021 nan 8.380 nan 0.000 0.545 372 V N 0.570 120.466 119.914 -0.031 0.000 2.789 372 V HA 0.443 4.562 4.120 -0.001 0.000 0.311 372 V C 0.009 176.019 176.094 -0.141 0.000 1.073 372 V CA -0.661 61.568 62.300 -0.120 0.000 0.921 372 V CB 2.548 34.321 31.823 -0.082 0.000 1.009 372 V HN 0.173 nan 8.190 nan 0.000 0.426 373 Q N 2.896 122.557 119.800 -0.233 0.000 2.394 373 Q HA 0.747 5.086 4.340 -0.001 0.000 0.261 373 Q C -0.821 174.917 176.000 -0.435 0.000 1.023 373 Q CA -0.117 55.521 55.803 -0.275 0.000 0.720 373 Q CB 1.521 30.102 28.738 -0.261 0.000 1.241 373 Q HN 1.016 nan 8.270 nan 0.000 0.483 374 A N 4.006 126.552 122.820 -0.456 0.000 2.325 374 A HA 0.935 5.254 4.320 -0.001 0.000 0.333 374 A C -1.044 175.832 177.584 -1.179 0.000 1.155 374 A CA -0.426 51.165 52.037 -0.744 0.000 0.814 374 A CB 1.118 19.849 19.000 -0.448 0.000 1.206 374 A HN 0.758 nan 8.150 nan 0.000 0.482 375 Q N 1.070 120.076 119.800 -1.323 0.000 2.633 375 Q HA 0.381 4.720 4.340 -0.001 0.000 0.289 375 Q C -1.657 173.926 176.000 -0.695 0.000 0.940 375 Q CA -0.598 54.464 55.803 -1.235 0.000 0.785 375 Q CB 0.583 28.966 28.738 -0.591 0.000 1.467 375 Q HN 0.481 nan 8.270 nan 0.000 0.401 376 F N 0.292 120.160 119.950 -0.137 0.000 2.471 376 F HA 0.632 5.158 4.527 -0.001 0.000 0.353 376 F C 1.245 177.086 175.800 0.069 0.000 1.113 376 F CA 1.138 59.182 58.000 0.073 0.000 1.262 376 F CB 1.311 40.408 39.000 0.162 0.000 1.146 376 F HN 0.762 nan 8.300 nan 0.000 0.578 377 G N 0.625 109.600 108.800 0.292 0.000 2.687 377 G HA2 0.578 4.537 3.960 -0.001 0.000 0.291 377 G HA3 0.578 4.537 3.960 -0.001 0.000 0.291 377 G C -1.219 173.687 174.900 0.011 0.000 1.420 377 G CA -0.732 44.489 45.100 0.202 0.000 0.796 377 G HN 0.649 nan 8.290 nan 0.000 0.485 378 T N -1.898 112.585 114.554 -0.117 0.000 2.938 378 T HA 0.486 4.835 4.350 -0.001 0.000 0.285 378 T C 1.259 175.803 174.700 -0.260 0.000 1.028 378 T CA -0.464 61.525 62.100 -0.186 0.000 1.005 378 T CB 1.555 70.329 68.868 -0.158 0.000 1.157 378 T HN 0.590 nan 8.240 nan 0.000 0.550 379 L N 0.544 121.610 121.223 -0.261 0.000 2.046 379 L HA 0.019 4.358 4.340 -0.001 0.000 0.208 379 L C 2.750 179.565 176.870 -0.092 0.000 1.077 379 L CA 1.995 56.704 54.840 -0.218 0.000 0.747 379 L CB -1.161 40.815 42.059 -0.138 0.000 0.896 379 L HN 0.886 nan 8.230 nan 0.000 0.432 380 Q N 0.017 119.798 119.800 -0.031 0.000 2.124 380 Q HA -0.221 4.118 4.340 -0.001 0.000 0.202 380 Q C 2.048 177.983 176.000 -0.108 0.000 0.977 380 Q CA 2.016 57.838 55.803 0.031 0.000 0.850 380 Q CB -0.181 28.549 28.738 -0.013 0.000 0.901 380 Q HN 0.654 nan 8.270 nan 0.000 0.429 381 E N -1.200 118.844 120.200 -0.261 0.000 2.110 381 E HA -0.221 4.129 4.350 -0.001 0.000 0.193 381 E C 1.703 177.848 176.600 -0.758 0.000 0.988 381 E CA 1.167 57.291 56.400 -0.461 0.000 0.804 381 E CB -0.339 29.041 29.700 -0.533 0.000 0.745 381 E HN 0.472 nan 8.360 nan 0.000 0.458 382 Y N 0.716 120.470 120.300 -0.911 0.000 2.114 382 Y HA -0.246 4.304 4.550 -0.001 0.000 0.284 382 Y C 1.871 177.450 175.900 -0.535 0.000 1.143 382 Y CA 1.606 59.177 58.100 -0.882 0.000 1.135 382 Y CB -0.621 37.355 38.460 -0.807 0.000 0.980 382 Y HN -0.057 nan 8.280 nan 0.000 0.499 383 F N 0.651 120.332 119.950 -0.447 0.000 2.161 383 F HA -0.252 4.274 4.527 -0.001 0.000 0.300 383 F C 2.237 177.804 175.800 -0.387 0.000 1.089 383 F CA 1.301 59.023 58.000 -0.463 0.000 1.282 383 F CB -0.317 38.608 39.000 -0.126 0.000 1.010 383 F HN 0.104 nan 8.300 nan 0.000 0.485 384 D N 0.336 120.681 120.400 -0.091 0.000 2.123 384 D HA -0.177 4.462 4.640 -0.001 0.000 0.196 384 D C 2.301 178.522 176.300 -0.131 0.000 0.992 384 D CA 1.455 55.411 54.000 -0.072 0.000 0.833 384 D CB -0.587 40.161 40.800 -0.088 0.000 0.954 384 D HN 0.255 nan 8.370 nan 0.000 0.455 385 A N 0.550 123.232 122.820 -0.229 0.000 1.898 385 A HA -0.119 4.200 4.320 -0.001 0.000 0.216 385 A C 2.549 180.009 177.584 -0.207 0.000 1.181 385 A CA 1.114 53.058 52.037 -0.154 0.000 0.620 385 A CB -0.723 18.252 19.000 -0.041 0.000 0.819 385 A HN 0.139 nan 8.150 nan 0.000 0.442 386 V N -0.098 119.558 119.914 -0.430 0.000 2.287 386 V HA -0.264 3.856 4.120 -0.001 0.000 0.248 386 V C 2.417 178.325 176.094 -0.310 0.000 1.053 386 V CA 2.148 64.188 62.300 -0.434 0.000 1.027 386 V CB -1.034 30.343 31.823 -0.743 0.000 0.646 386 V HN 0.656 nan 8.190 nan 0.000 0.447 387 H N -0.343 118.609 119.070 -0.195 0.000 2.462 387 H HA -0.069 4.486 4.556 -0.001 0.000 0.292 387 H C 2.400 177.691 175.328 -0.061 0.000 1.049 387 H CA 1.275 57.241 56.048 -0.137 0.000 1.334 387 H CB -0.026 29.614 29.762 -0.204 0.000 1.404 387 H HN 0.557 nan 8.280 nan 0.000 0.544 388 Q N 0.140 119.954 119.800 0.023 0.000 2.119 388 Q HA -0.020 4.319 4.340 -0.001 0.000 0.201 388 Q C 2.509 178.522 176.000 0.022 0.000 0.972 388 Q CA 1.143 56.956 55.803 0.017 0.000 0.847 388 Q CB 0.085 28.820 28.738 -0.004 0.000 0.903 388 Q HN 0.393 nan 8.270 nan 0.000 0.433 389 A N 1.021 123.849 122.820 0.013 0.000 1.930 389 A HA -0.234 4.086 4.320 -0.001 0.000 0.217 389 A C 1.917 179.527 177.584 0.043 0.000 1.175 389 A CA 1.497 53.553 52.037 0.032 0.000 0.627 389 A CB -0.466 18.556 19.000 0.036 0.000 0.815 389 A HN 0.450 nan 8.150 nan 0.000 0.443 390 E N -0.055 120.187 120.200 0.070 0.000 2.051 390 E HA -0.221 4.128 4.350 -0.001 0.000 0.192 390 E C 2.169 178.806 176.600 0.062 0.000 0.991 390 E CA 1.167 57.619 56.400 0.087 0.000 0.799 390 E CB -0.157 29.703 29.700 0.267 0.000 0.748 390 E HN 0.583 nan 8.360 nan 0.000 0.449 391 R N -0.143 120.397 120.500 0.065 0.000 2.148 391 R HA -0.033 4.306 4.340 -0.001 0.000 0.227 391 R C 2.243 178.559 176.300 0.027 0.000 1.103 391 R CA 0.882 57.007 56.100 0.042 0.000 0.983 391 R CB -0.180 30.140 30.300 0.033 0.000 0.874 391 R HN 0.177 nan 8.270 nan 0.000 0.451 392 A N 0.260 123.097 122.820 0.028 0.000 2.209 392 A HA 0.102 4.422 4.320 -0.001 0.000 0.212 392 A C 1.425 179.021 177.584 0.019 0.000 1.158 392 A CA 0.938 52.990 52.037 0.024 0.000 0.742 392 A CB -0.292 18.728 19.000 0.032 0.000 0.790 392 A HN 0.459 nan 8.150 nan 0.000 0.472 393 G N -0.442 108.366 108.800 0.013 0.000 2.147 393 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.244 393 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.244 393 G C 0.576 175.470 174.900 -0.009 0.000 1.005 393 G CA 0.653 45.753 45.100 -0.001 0.000 0.713 393 G HN 1.031 nan 8.290 nan 0.000 0.515 394 Q N -1.059 118.741 119.800 -0.001 0.000 2.319 394 Q HA 0.688 5.028 4.340 -0.001 0.000 0.202 394 Q C 0.753 176.730 176.000 -0.038 0.000 0.896 394 Q CA 0.883 56.689 55.803 0.005 0.000 0.942 394 Q CB 0.601 29.380 28.738 0.067 0.000 1.083 394 Q HN 1.620 nan 8.270 nan 0.000 0.510 395 A N 0.873 123.628 122.820 -0.108 0.000 2.589 395 A HA 0.590 4.909 4.320 -0.001 0.000 0.296 395 A C -1.806 175.541 177.584 -0.395 0.000 1.062 395 A CA -0.978 50.902 52.037 -0.262 0.000 0.686 395 A CB 1.568 20.360 19.000 -0.346 0.000 1.282 395 A HN 0.250 nan 8.150 nan 0.000 0.404 396 E N 0.588 120.536 120.200 -0.421 0.000 2.248 396 E HA 0.703 5.052 4.350 -0.001 0.000 0.267 396 E C -1.430 174.946 176.600 -0.373 0.000 0.877 396 E CA -0.297 55.924 56.400 -0.299 0.000 0.759 396 E CB 1.521 31.162 29.700 -0.098 0.000 1.182 396 E HN 0.411 nan 8.360 nan 0.000 0.418 397 F N 2.530 122.584 119.950 0.173 0.000 2.450 397 F HA 0.488 5.015 4.527 -0.000 0.000 0.332 397 F C -1.717 174.185 175.800 0.169 0.000 1.093 397 F CA -2.119 56.008 58.000 0.211 0.000 1.003 397 F CB 1.309 40.514 39.000 0.341 0.000 1.151 397 F HN 0.305 nan 8.300 nan 0.000 0.474 398 P HA 0.175 nan 4.420 nan 0.000 0.274 398 P C -0.717 176.723 177.300 0.232 0.000 1.237 398 P CA -0.394 62.836 63.100 0.218 0.000 0.793 398 P CB 1.138 32.934 31.700 0.160 0.000 0.977 399 T N -0.458 114.184 114.554 0.146 0.000 2.907 399 T HA 0.695 5.044 4.350 -0.001 0.000 0.284 399 T C -0.248 174.480 174.700 0.047 0.000 1.004 399 T CA -0.807 61.372 62.100 0.131 0.000 1.063 399 T CB 1.135 70.059 68.868 0.092 0.000 0.992 399 T HN 0.503 nan 8.240 nan 0.000 0.483 400 L N 1.465 122.713 121.223 0.041 0.000 2.466 400 L HA 0.730 5.070 4.340 -0.001 0.000 0.258 400 L C -0.935 175.923 176.870 -0.019 0.000 0.973 400 L CA -0.475 54.285 54.840 -0.135 0.000 0.826 400 L CB 2.187 43.923 42.059 -0.539 0.000 1.372 400 L HN 1.111 nan 8.230 nan 0.000 0.409 401 S N 2.287 117.932 115.700 -0.093 0.000 2.595 401 S HA 1.054 5.523 4.470 -0.001 0.000 0.281 401 S C -0.392 174.142 174.600 -0.110 0.000 1.117 401 S CA 0.026 58.234 58.200 0.014 0.000 0.873 401 S CB 2.043 65.213 63.200 -0.051 0.000 1.108 401 S HN 1.791 nan 8.310 nan 0.000 0.477 402 G N 1.208 110.002 108.800 -0.011 0.000 2.343 402 G HA2 0.325 4.284 3.960 -0.001 0.000 0.562 402 G HA3 0.325 4.284 3.960 -0.001 0.000 0.562 402 G C -1.766 173.044 174.900 -0.150 0.000 1.269 402 G CA -0.006 44.987 45.100 -0.178 0.000 1.011 402 G HN 1.294 nan 8.290 nan 0.000 0.498 403 D N -1.666 118.509 120.400 -0.374 0.000 2.687 403 D HA 0.743 5.382 4.640 -0.001 0.000 0.264 403 D C -0.660 175.140 176.300 -0.834 0.000 1.091 403 D CA -1.062 52.739 54.000 -0.331 0.000 1.123 403 D CB 1.121 41.899 40.800 -0.037 0.000 1.407 403 D HN 0.424 nan 8.370 nan 0.000 0.591 404 F N -0.407 119.410 119.950 -0.220 0.000 2.679 404 F HA 0.419 4.945 4.527 -0.001 0.000 0.354 404 F C -0.834 174.821 175.800 -0.242 0.000 1.423 404 F CA -0.642 57.236 58.000 -0.203 0.000 1.141 404 F CB 0.303 39.216 39.000 -0.145 0.000 1.168 404 F HN 0.006 nan 8.300 nan 0.000 0.530 405 F N -0.663 119.474 119.950 0.312 0.000 2.563 405 F HA 0.519 5.045 4.527 -0.001 0.000 0.316 405 F C 0.429 176.477 175.800 0.413 0.000 1.076 405 F CA -1.155 57.092 58.000 0.413 0.000 0.921 405 F CB 2.069 41.304 39.000 0.392 0.000 1.209 405 F HN -0.259 nan 8.300 nan 0.000 0.462 406 T N 1.742 116.660 114.554 0.607 0.000 2.799 406 T HA 0.152 4.501 4.350 -0.001 0.000 0.286 406 T C -0.951 174.214 174.700 0.775 0.000 0.973 406 T CA -0.284 62.246 62.100 0.716 0.000 1.035 406 T CB 0.386 69.540 68.868 0.476 0.000 0.932 406 T HN 0.372 nan 8.240 nan 0.000 0.469 407 Y N 2.839 123.476 120.300 0.563 0.000 2.497 407 Y HA 0.417 4.966 4.550 -0.001 0.000 0.334 407 Y C -0.175 175.783 175.900 0.097 0.000 1.199 407 Y CA -0.952 57.311 58.100 0.270 0.000 1.425 407 Y CB 0.183 38.691 38.460 0.080 0.000 1.291 407 Y HN 0.682 nan 8.280 nan 0.000 0.562 408 A N 5.366 127.708 122.820 -0.796 0.000 2.402 408 A HA 0.324 4.643 4.320 -0.001 0.000 0.291 408 A C -0.171 176.814 177.584 -0.998 0.000 1.051 408 A CA -0.266 51.194 52.037 -0.961 0.000 0.716 408 A CB 0.630 18.766 19.000 -1.440 0.000 1.223 408 A HN 0.811 nan 8.150 nan 0.000 0.425 409 D N 1.886 121.843 120.400 -0.739 0.000 2.346 409 D HA 0.048 4.688 4.640 -0.001 0.000 0.206 409 D C 0.525 176.845 176.300 0.033 0.000 1.001 409 D CA 0.548 54.356 54.000 -0.319 0.000 0.871 409 D CB 0.198 40.914 40.800 -0.139 0.000 0.943 409 D HN 0.748 nan 8.370 nan 0.000 0.518 410 R N -1.253 119.211 120.500 -0.061 0.000 2.739 410 R HA 0.317 4.657 4.340 -0.001 0.000 0.266 410 R C 0.169 176.372 176.300 -0.161 0.000 1.044 410 R CA -0.065 55.863 56.100 -0.286 0.000 0.885 410 R CB 0.521 30.720 30.300 -0.168 0.000 1.260 410 R HN -0.008 nan 8.270 nan 0.000 0.477 411 S N 1.068 116.620 115.700 -0.246 0.000 4.106 411 S HA -0.376 4.093 4.470 -0.001 0.000 0.541 411 S C 0.665 175.346 174.600 0.134 0.000 1.846 411 S CA 1.687 59.881 58.200 -0.009 0.000 4.137 411 S CB -1.589 61.597 63.200 -0.023 0.000 0.892 411 S HN 1.066 nan 8.310 nan 0.000 0.535 412 D N 1.646 122.114 120.400 0.114 0.000 2.388 412 D HA 0.168 4.807 4.640 -0.001 0.000 0.221 412 D C -0.161 176.249 176.300 0.183 0.000 1.133 412 D CA -0.280 53.851 54.000 0.219 0.000 0.831 412 D CB -1.563 39.353 40.800 0.193 0.000 0.962 412 D HN 0.648 nan 8.370 nan 0.000 0.502 413 N N 0.982 119.700 118.700 0.030 0.000 2.739 413 N HA 0.034 4.774 4.740 -0.001 0.000 0.266 413 N C -0.908 174.634 175.510 0.053 0.000 1.168 413 N CA -0.260 52.812 53.050 0.036 0.000 1.055 413 N CB 0.081 38.574 38.487 0.010 0.000 1.393 413 N HN 0.145 nan 8.380 nan 0.000 0.514 414 Y N 0.223 120.611 120.300 0.147 0.000 2.316 414 Y HA 0.107 4.656 4.550 -0.001 0.000 0.331 414 Y C 0.122 176.222 175.900 0.333 0.000 1.083 414 Y CA -0.697 57.549 58.100 0.243 0.000 1.206 414 Y CB 0.532 39.087 38.460 0.159 0.000 1.195 414 Y HN 0.382 nan 8.280 nan 0.000 0.497 415 W N 2.555 123.980 121.300 0.208 0.000 1.496 415 W HA 0.215 4.875 4.660 -0.001 0.000 0.422 415 W C 0.793 177.351 176.519 0.065 0.000 0.638 415 W CA -0.556 56.944 57.345 0.259 0.000 2.105 415 W CB -0.603 29.119 29.460 0.436 0.000 1.639 415 W HN 0.544 nan 8.180 nan 0.000 0.304 416 S N -2.031 113.696 115.700 0.044 0.000 2.540 416 S HA 0.145 4.614 4.470 -0.001 0.000 0.218 416 S C 1.918 176.247 174.600 -0.453 0.000 0.977 416 S CA 0.283 58.137 58.200 -0.576 0.000 0.918 416 S CB 0.227 63.424 63.200 -0.005 0.000 0.806 416 S HN 0.345 nan 8.310 nan 0.000 0.496 417 G N 2.017 110.752 108.800 -0.107 0.000 2.408 417 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.217 417 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.217 417 G C 1.238 176.121 174.900 -0.027 0.000 1.150 417 G CA 0.837 45.889 45.100 -0.081 0.000 0.776 417 G HN 0.790 nan 8.290 nan 0.000 0.542 418 Y N -0.856 119.423 120.300 -0.035 0.000 2.680 418 Y HA 0.155 4.704 4.550 -0.001 0.000 0.303 418 Y C 1.895 177.923 175.900 0.213 0.000 1.166 418 Y CA 0.027 58.185 58.100 0.096 0.000 1.344 418 Y CB -0.537 38.067 38.460 0.240 0.000 1.002 418 Y HN 0.340 nan 8.280 nan 0.000 0.537 419 Y N 0.177 120.282 120.300 -0.325 0.000 2.571 419 Y HA -0.075 4.474 4.550 -0.001 0.000 0.294 419 Y C 1.437 177.290 175.900 -0.079 0.000 1.141 419 Y CA 0.583 58.507 58.100 -0.294 0.000 1.308 419 Y CB 0.265 38.591 38.460 -0.222 0.000 1.002 419 Y HN 0.266 nan 8.280 nan 0.000 0.551 420 T N -2.345 112.281 114.554 0.120 0.000 2.980 420 T HA 0.037 4.387 4.350 -0.001 0.000 0.252 420 T C 0.608 175.396 174.700 0.147 0.000 0.962 420 T CA -0.173 61.996 62.100 0.116 0.000 0.932 420 T CB 0.106 69.014 68.868 0.066 0.000 1.188 420 T HN -0.101 nan 8.240 nan 0.000 0.500 421 S N 2.603 118.387 115.700 0.140 0.000 2.642 421 S HA 0.129 4.598 4.470 -0.001 0.000 0.308 421 S C 0.429 175.164 174.600 0.225 0.000 1.255 421 S CA 0.096 58.391 58.200 0.158 0.000 1.057 421 S CB 0.026 63.306 63.200 0.133 0.000 0.785 421 S HN 0.412 nan 8.310 nan 0.000 0.500 422 R N 1.127 121.776 120.500 0.248 0.000 3.205 422 R HA -0.125 4.215 4.340 -0.001 0.000 0.249 422 R C -1.855 174.681 176.300 0.394 0.000 0.937 422 R CA 0.711 57.029 56.100 0.365 0.000 0.641 422 R CB -1.780 28.776 30.300 0.427 0.000 1.114 422 R HN 0.523 nan 8.270 nan 0.000 0.451 423 P HA -0.239 nan 4.420 nan 0.000 0.222 423 P C 1.102 178.601 177.300 0.332 0.000 1.147 423 P CA 1.057 64.367 63.100 0.349 0.000 0.790 423 P CB -0.010 31.944 31.700 0.422 0.000 0.780 424 Y N 1.515 121.890 120.300 0.125 0.000 2.145 424 Y HA -0.227 4.322 4.550 -0.001 0.000 0.286 424 Y C 2.647 178.518 175.900 -0.047 0.000 1.145 424 Y CA 1.863 59.954 58.100 -0.015 0.000 1.148 424 Y CB -0.831 37.486 38.460 -0.237 0.000 0.981 424 Y HN 0.054 nan 8.280 nan 0.000 0.507 425 H N -0.392 118.911 119.070 0.387 0.000 2.462 425 H HA -0.030 4.525 4.556 -0.001 0.000 0.292 425 H C 1.997 177.460 175.328 0.225 0.000 1.049 425 H CA 1.222 57.414 56.048 0.240 0.000 1.334 425 H CB -0.001 29.977 29.762 0.359 0.000 1.404 425 H HN 0.398 nan 8.280 nan 0.000 0.544 426 K N 0.781 121.384 120.400 0.338 0.000 2.057 426 K HA -0.093 4.227 4.320 -0.001 0.000 0.206 426 K C 1.561 178.211 176.600 0.085 0.000 1.050 426 K CA 0.430 56.864 56.287 0.246 0.000 0.935 426 K CB 0.171 32.796 32.500 0.208 0.000 0.715 426 K HN -0.022 nan 8.250 nan 0.000 0.439 430 R N 1.024 121.418 120.500 -0.176 0.000 2.115 430 R HA 0.083 4.422 4.340 -0.001 0.000 0.230 430 R C 2.062 178.240 176.300 -0.202 0.000 1.111 430 R CA 1.047 57.052 56.100 -0.159 0.000 0.976 430 R CB -0.761 29.467 30.300 -0.119 0.000 0.870 430 R HN 0.282 nan 8.270 nan 0.000 0.445 431 V N 1.658 121.348 119.914 -0.374 0.000 2.270 431 V HA -0.156 3.963 4.120 -0.001 0.000 0.245 431 V C 1.610 177.501 176.094 -0.340 0.000 1.043 431 V CA 0.843 62.893 62.300 -0.417 0.000 1.014 431 V CB -0.551 30.713 31.823 -0.932 0.000 0.645 431 V HN 0.115 nan 8.190 nan 0.000 0.447 435 Y N 1.830 122.013 120.300 -0.195 0.000 2.181 435 Y HA -0.127 4.423 4.550 -0.001 0.000 0.288 435 Y C 2.822 178.609 175.900 -0.189 0.000 1.146 435 Y CA 1.850 59.836 58.100 -0.191 0.000 1.164 435 Y CB -0.440 37.959 38.460 -0.102 0.000 0.982 435 Y HN 0.014 nan 8.280 nan 0.000 0.515 436 V N 0.154 120.067 119.914 -0.003 0.000 2.295 436 V HA -0.316 3.803 4.120 -0.001 0.000 0.246 436 V C 2.522 178.559 176.094 -0.095 0.000 1.049 436 V CA 2.206 64.473 62.300 -0.056 0.000 1.024 436 V CB -0.617 31.164 31.823 -0.071 0.000 0.648 436 V HN 0.312 nan 8.190 nan 0.000 0.447 437 R N 0.423 120.845 120.500 -0.129 0.000 2.083 437 R HA -0.190 4.150 4.340 -0.001 0.000 0.237 437 R C 2.254 178.489 176.300 -0.108 0.000 1.137 437 R CA 1.931 57.959 56.100 -0.119 0.000 0.951 437 R CB -0.510 29.715 30.300 -0.125 0.000 0.851 437 R HN 0.461 nan 8.270 nan 0.000 0.434 438 A N 0.639 123.335 122.820 -0.206 0.000 1.902 438 A HA -0.060 4.260 4.320 -0.001 0.000 0.217 438 A C 2.372 179.906 177.584 -0.084 0.000 1.181 438 A CA 1.614 53.589 52.037 -0.103 0.000 0.623 438 A CB -0.737 18.127 19.000 -0.227 0.000 0.818 438 A HN 0.581 nan 8.150 nan 0.000 0.443 439 A N -0.133 122.627 122.820 -0.101 0.000 1.873 439 A HA -0.034 4.285 4.320 -0.001 0.000 0.215 439 A C 1.301 178.834 177.584 -0.084 0.000 1.186 439 A CA 0.941 52.928 52.037 -0.083 0.000 0.616 439 A CB -0.382 18.578 19.000 -0.067 0.000 0.823 439 A HN 0.642 nan 8.150 nan 0.000 0.442 443 S N 0.378 116.152 115.700 0.123 0.000 2.528 443 S HA 0.152 4.622 4.470 -0.001 0.000 0.219 443 S C 1.667 176.445 174.600 0.297 0.000 0.985 443 S CA 0.524 58.866 58.200 0.238 0.000 0.914 443 S CB 0.366 63.495 63.200 -0.117 0.000 0.776 443 S HN 0.310 nan 8.310 nan 0.000 0.526 444 A N 0.863 123.684 122.820 0.001 0.000 2.066 444 A HA 0.128 4.447 4.320 -0.001 0.000 0.218 444 A C 1.666 179.142 177.584 -0.181 0.000 1.157 444 A CA 0.618 52.556 52.037 -0.164 0.000 0.670 444 A CB -1.127 17.630 19.000 -0.404 0.000 0.804 444 A HN 0.745 nan 8.150 nan 0.000 0.453 445 W N -0.539 120.794 121.300 0.054 0.000 2.392 445 W HA -0.028 4.632 4.660 -0.001 0.000 0.279 445 W C 0.919 177.247 176.519 -0.318 0.000 1.225 445 W CA 1.042 58.325 57.345 -0.105 0.000 1.233 445 W CB -0.184 29.194 29.460 -0.137 0.000 1.122 445 W HN 0.391 nan 8.180 nan 0.000 0.561 446 H N -2.356 116.785 119.070 0.118 0.000 2.771 446 H HA 0.389 4.945 4.556 -0.001 0.000 0.367 446 H C -0.454 174.778 175.328 -0.159 0.000 1.172 446 H CA -0.948 55.006 56.048 -0.155 0.000 1.186 446 H CB 1.712 31.138 29.762 -0.561 0.000 1.790 446 H HN -0.433 nan 8.280 nan 0.000 0.556 447 S N 0.799 116.450 115.700 -0.083 0.000 2.508 447 S HA 0.348 4.817 4.470 -0.001 0.000 0.284 447 S C -1.410 173.100 174.600 -0.150 0.000 1.192 447 S CA -0.689 57.501 58.200 -0.016 0.000 1.070 447 S CB 0.182 63.377 63.200 -0.009 0.000 1.004 447 S HN 0.415 nan 8.310 nan 0.000 0.493 448 W N 2.446 123.752 121.300 0.010 0.000 2.606 448 W HA 0.383 5.043 4.660 -0.001 0.000 0.332 448 W C 0.223 176.704 176.519 -0.064 0.000 1.052 448 W CA -0.778 56.547 57.345 -0.034 0.000 1.223 448 W CB 0.637 30.041 29.460 -0.094 0.000 1.383 448 W HN 0.577 nan 8.180 nan 0.000 0.524 449 D N 0.959 121.444 120.400 0.142 0.000 2.399 449 D HA 0.021 4.661 4.640 -0.001 0.000 0.241 449 D C 1.448 177.751 176.300 0.004 0.000 1.133 449 D CA 0.695 54.739 54.000 0.074 0.000 0.890 449 D CB 1.739 42.612 40.800 0.123 0.000 1.201 449 D HN 0.664 nan 8.370 nan 0.000 0.432 450 G N 3.213 112.024 108.800 0.019 0.000 2.485 450 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.221 450 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.221 450 G C 1.588 176.465 174.900 -0.037 0.000 1.115 450 G CA 0.499 45.596 45.100 -0.004 0.000 0.751 450 G HN 0.573 nan 8.290 nan 0.000 0.567 451 M N 0.692 120.281 119.600 -0.019 0.000 2.460 451 M HA 0.070 4.550 4.480 -0.001 0.000 0.263 451 M C 2.796 179.019 176.300 -0.128 0.000 1.071 451 M CA 0.936 56.249 55.300 0.023 0.000 1.096 451 M CB -0.015 32.701 32.600 0.193 0.000 1.408 451 M HN 0.306 nan 8.290 nan 0.000 0.463 452 A N 0.230 122.727 122.820 -0.538 0.000 2.119 452 A HA -0.025 4.294 4.320 -0.001 0.000 0.216 452 A C 1.216 178.597 177.584 -0.339 0.000 1.152 452 A CA 0.407 51.912 52.037 -0.886 0.000 0.708 452 A CB -0.334 17.995 19.000 -1.117 0.000 0.805 452 A HN 0.565 nan 8.150 nan 0.000 0.460 453 R N -1.661 118.717 120.500 -0.203 0.000 3.641 453 R HA -0.188 4.151 4.340 -0.001 0.000 0.286 453 R C 0.696 176.893 176.300 -0.171 0.000 1.153 453 R CA 0.716 56.740 56.100 -0.128 0.000 0.775 453 R CB -2.063 28.196 30.300 -0.068 0.000 1.215 453 R HN 0.477 nan 8.270 nan 0.000 0.474 454 I N 0.584 121.002 120.570 -0.254 0.000 2.163 454 I HA -0.203 3.967 4.170 -0.001 0.000 0.240 454 I C 2.154 178.151 176.117 -0.200 0.000 1.081 454 I CA 1.728 62.831 61.300 -0.329 0.000 1.353 454 I CB -0.734 36.924 38.000 -0.570 0.000 1.054 454 I HN 0.202 nan 8.210 nan 0.000 0.407 455 E N 0.696 120.816 120.200 -0.133 0.000 2.118 455 E HA -0.241 4.109 4.350 -0.001 0.000 0.195 455 E C 2.104 178.662 176.600 -0.071 0.000 0.992 455 E CA 1.263 57.614 56.400 -0.082 0.000 0.804 455 E CB -0.248 29.427 29.700 -0.041 0.000 0.741 455 E HN 0.475 nan 8.360 nan 0.000 0.458 456 E N 0.341 120.501 120.200 -0.067 0.000 2.038 456 E HA -0.253 4.096 4.350 -0.001 0.000 0.195 456 E C 1.939 178.503 176.600 -0.060 0.000 1.000 456 E CA 1.088 57.458 56.400 -0.050 0.000 0.803 456 E CB 0.101 29.776 29.700 -0.042 0.000 0.750 456 E HN -0.028 nan 8.360 nan 0.000 0.448 457 R N 0.312 120.766 120.500 -0.078 0.000 2.092 457 R HA -0.017 4.322 4.340 -0.001 0.000 0.231 457 R C 2.377 178.629 176.300 -0.079 0.000 1.119 457 R CA 0.877 56.933 56.100 -0.074 0.000 0.970 457 R CB -0.532 29.717 30.300 -0.085 0.000 0.864 457 R HN 0.283 nan 8.270 nan 0.000 0.440 458 L N -0.116 121.049 121.223 -0.096 0.000 2.093 458 L HA -0.117 4.222 4.340 -0.001 0.000 0.208 458 L C 2.353 179.167 176.870 -0.092 0.000 1.085 458 L CA 1.412 56.195 54.840 -0.095 0.000 0.755 458 L CB -0.407 41.589 42.059 -0.105 0.000 0.904 458 L HN 0.301 nan 8.230 nan 0.000 0.435 459 E N 0.144 120.293 120.200 -0.084 0.000 2.077 459 E HA -0.296 4.054 4.350 -0.001 0.000 0.193 459 E C 2.214 178.745 176.600 -0.115 0.000 0.989 459 E CA 1.244 57.586 56.400 -0.096 0.000 0.800 459 E CB 0.014 29.679 29.700 -0.058 0.000 0.746 459 E HN 0.417 nan 8.360 nan 0.000 0.452 460 Q N 0.046 119.797 119.800 -0.081 0.000 2.061 460 Q HA -0.219 4.120 4.340 -0.001 0.000 0.204 460 Q C 2.101 178.052 176.000 -0.082 0.000 0.984 460 Q CA 1.678 57.439 55.803 -0.069 0.000 0.846 460 Q CB -0.240 28.472 28.738 -0.043 0.000 0.902 460 Q HN 0.348 nan 8.270 nan 0.000 0.421 461 A N 1.137 123.910 122.820 -0.078 0.000 1.877 461 A HA -0.202 4.117 4.320 -0.001 0.000 0.216 461 A C 2.103 179.625 177.584 -0.103 0.000 1.186 461 A CA 1.566 53.557 52.037 -0.075 0.000 0.620 461 A CB -0.564 18.400 19.000 -0.061 0.000 0.822 461 A HN 0.386 nan 8.150 nan 0.000 0.443 462 R N -0.825 119.596 120.500 -0.133 0.000 2.081 462 R HA -0.100 4.239 4.340 -0.001 0.000 0.235 462 R C 2.453 178.598 176.300 -0.258 0.000 1.131 462 R CA 1.597 57.593 56.100 -0.173 0.000 0.960 462 R CB -0.285 29.904 30.300 -0.185 0.000 0.856 462 R HN 0.503 nan 8.270 nan 0.000 0.436 463 R N 0.260 120.570 120.500 -0.317 0.000 2.090 463 R HA -0.067 4.273 4.340 -0.001 0.000 0.228 463 R C 2.067 178.282 176.300 -0.142 0.000 1.110 463 R CA 0.898 56.730 56.100 -0.445 0.000 0.973 463 R CB 0.009 30.062 30.300 -0.412 0.000 0.869 463 R HN 0.209 nan 8.270 nan 0.000 0.440 464 E N 0.814 120.973 120.200 -0.067 0.000 2.107 464 E HA -0.162 4.187 4.350 -0.001 0.000 0.191 464 E C 1.985 178.607 176.600 0.038 0.000 0.982 464 E CA 0.741 57.149 56.400 0.012 0.000 0.809 464 E CB -0.186 29.512 29.700 -0.005 0.000 0.756 464 E HN 0.150 nan 8.360 nan 0.000 0.459 465 L N 1.191 122.405 121.223 -0.014 0.000 2.056 465 L HA -0.062 4.277 4.340 -0.001 0.000 0.207 465 L C 2.170 179.077 176.870 0.062 0.000 1.078 465 L CA 1.566 56.416 54.840 0.017 0.000 0.749 465 L CB -0.567 41.468 42.059 -0.039 0.000 0.901 465 L HN -0.105 nan 8.230 nan 0.000 0.433 466 S N -0.371 115.330 115.700 0.001 0.000 2.368 466 S HA -0.175 4.294 4.470 -0.001 0.000 0.225 466 S C 1.837 176.568 174.600 0.218 0.000 1.030 466 S CA 1.554 59.786 58.200 0.053 0.000 0.999 466 S CB -0.583 62.541 63.200 -0.127 0.000 0.844 466 S HN 0.463 nan 8.310 nan 0.000 0.459 467 L N 0.732 122.124 121.223 0.283 0.000 2.042 467 L HA -0.014 4.325 4.340 -0.001 0.000 0.210 467 L C 1.844 178.815 176.870 0.168 0.000 1.076 467 L CA 1.650 56.659 54.840 0.282 0.000 0.749 467 L CB -0.684 41.515 42.059 0.233 0.000 0.893 467 L HN 0.285 nan 8.230 nan 0.000 0.432 468 F N -0.235 119.680 119.950 -0.058 0.000 2.451 468 F HA -0.131 4.395 4.527 -0.001 0.000 0.299 468 F C 2.176 177.893 175.800 -0.138 0.000 1.101 468 F CA 0.870 58.728 58.000 -0.237 0.000 1.436 468 F CB -0.233 38.663 39.000 -0.174 0.000 1.074 468 F HN 0.259 nan 8.300 nan 0.000 0.553 469 Q N -0.410 119.352 119.800 -0.063 0.000 2.436 469 Q HA -0.143 4.197 4.340 -0.001 0.000 0.209 469 Q C 0.747 176.690 176.000 -0.094 0.000 0.965 469 Q CA 0.419 56.165 55.803 -0.093 0.000 0.910 469 Q CB -1.212 27.541 28.738 0.026 0.000 0.980 469 Q HN 0.560 nan 8.270 nan 0.000 0.491 470 H N 1.879 120.836 119.070 -0.189 0.000 3.073 470 H HA -0.100 4.456 4.556 -0.001 0.000 0.340 470 H C 0.997 176.175 175.328 -0.251 0.000 1.054 470 H CA 0.345 56.282 56.048 -0.186 0.000 1.372 470 H CB 0.694 30.358 29.762 -0.164 0.000 1.314 470 H HN 0.325 nan 8.280 nan 0.000 0.603 471 H N 2.803 121.480 119.070 -0.656 0.000 2.562 471 H HA -0.019 4.536 4.556 -0.001 0.000 0.272 471 H C -0.257 174.662 175.328 -0.681 0.000 1.019 471 H CA 0.326 55.948 56.048 -0.710 0.000 1.160 471 H CB 0.236 29.558 29.762 -0.734 0.000 1.334 471 H HN 0.586 nan 8.280 nan 0.000 0.611 472 D N 0.060 119.845 120.400 -1.024 0.000 2.527 472 D HA 0.128 4.767 4.640 -0.001 0.000 0.224 472 D C 1.647 177.931 176.300 -0.027 0.000 1.217 472 D CA 0.319 54.176 54.000 -0.237 0.000 0.819 472 D CB 0.885 41.739 40.800 0.090 0.000 1.061 472 D HN 0.516 nan 8.370 nan 0.000 0.515 473 G N 1.185 109.759 108.800 -0.377 0.000 2.600 473 G HA2 -0.001 3.958 3.960 -0.001 0.000 0.225 473 G HA3 -0.001 3.958 3.960 -0.001 0.000 0.225 473 G C 1.356 175.673 174.900 -0.972 0.000 1.623 473 G CA -0.160 44.477 45.100 -0.770 0.000 0.903 473 G HN 0.200 nan 8.290 nan 0.000 0.574 474 I N 2.039 121.749 120.570 -1.434 0.000 2.530 474 I HA -0.179 3.991 4.170 -0.001 0.000 0.257 474 I C 2.873 178.888 176.117 -0.170 0.000 1.179 474 I CA 2.072 62.822 61.300 -0.916 0.000 1.440 474 I CB -0.039 37.610 38.000 -0.586 0.000 1.087 474 I HN 0.375 nan 8.210 nan 0.000 0.440 475 T N -1.641 112.864 114.554 -0.081 0.000 2.962 475 T HA 0.017 4.367 4.350 -0.001 0.000 0.270 475 T C 1.559 176.408 174.700 0.249 0.000 1.088 475 T CA 0.640 62.884 62.100 0.239 0.000 1.127 475 T CB -0.573 68.431 68.868 0.226 0.000 0.883 475 T HN 0.639 nan 8.240 nan 0.000 0.493 476 G N 1.473 110.372 108.800 0.165 0.000 2.198 476 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.257 476 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.257 476 G C 0.554 175.530 174.900 0.125 0.000 1.042 476 G CA 0.659 45.879 45.100 0.200 0.000 0.791 476 G HN 1.129 nan 8.290 nan 0.000 0.502 477 T N -3.438 111.184 114.554 0.112 0.000 3.174 477 T HA 0.731 5.081 4.350 -0.001 0.000 0.269 477 T C 0.924 175.811 174.700 0.311 0.000 1.017 477 T CA 1.044 63.137 62.100 -0.011 0.000 0.899 477 T CB 0.972 69.683 68.868 -0.263 0.000 1.077 477 T HN 1.560 nan 8.240 nan 0.000 0.552 478 A N 1.384 124.405 122.820 0.336 0.000 2.256 478 A HA 0.692 5.012 4.320 -0.001 0.000 0.318 478 A C 0.148 177.818 177.584 0.143 0.000 1.103 478 A CA -0.963 51.294 52.037 0.367 0.000 0.860 478 A CB 0.848 20.103 19.000 0.426 0.000 1.182 478 A HN 0.419 nan 8.150 nan 0.000 0.501 479 K N -0.146 120.261 120.400 0.011 0.000 2.276 479 K HA 0.180 4.499 4.320 -0.001 0.000 0.259 479 K C 1.056 177.657 176.600 0.000 0.000 1.001 479 K CA 0.282 56.562 56.287 -0.011 0.000 0.927 479 K CB 0.318 32.803 32.500 -0.025 0.000 0.969 479 K HN 0.714 nan 8.250 nan 0.000 0.490 480 T N 1.362 115.949 114.554 0.056 0.000 2.653 480 T HA -0.213 4.136 4.350 -0.001 0.000 0.268 480 T C 1.698 176.426 174.700 0.048 0.000 1.035 480 T CA 1.901 64.038 62.100 0.062 0.000 1.154 480 T CB -0.446 68.469 68.868 0.078 0.000 0.862 480 T HN 0.705 nan 8.240 nan 0.000 0.441 481 H N 0.578 119.636 119.070 -0.020 0.000 2.491 481 H HA 0.088 4.644 4.556 -0.001 0.000 0.290 481 H C 2.012 177.304 175.328 -0.059 0.000 1.050 481 H CA 0.899 56.927 56.048 -0.033 0.000 1.309 481 H CB -0.767 28.972 29.762 -0.039 0.000 1.392 481 H HN 0.284 nan 8.280 nan 0.000 0.554 482 V N 1.087 120.628 119.914 -0.622 0.000 2.407 482 V HA -0.157 3.962 4.120 -0.001 0.000 0.245 482 V C 3.013 178.900 176.094 -0.344 0.000 1.041 482 V CA 1.055 63.019 62.300 -0.561 0.000 1.040 482 V CB -0.411 31.140 31.823 -0.453 0.000 0.671 482 V HN 0.233 nan 8.190 nan 0.000 0.455 483 V N 0.000 119.850 119.914 -0.107 0.000 2.332 483 V HA -0.228 3.891 4.120 -0.001 0.000 0.248 483 V C 2.462 178.519 176.094 -0.061 0.000 1.055 483 V CA 1.898 64.200 62.300 0.003 0.000 1.038 483 V CB -0.448 31.347 31.823 -0.048 0.000 0.651 483 V HN 0.415 nan 8.190 nan 0.000 0.450 484 V N 0.393 120.282 119.914 -0.043 0.000 2.343 484 V HA -0.297 3.822 4.120 -0.001 0.000 0.247 484 V C 2.301 178.400 176.094 0.008 0.000 1.051 484 V CA 2.425 64.734 62.300 0.014 0.000 1.036 484 V CB -0.668 31.177 31.823 0.036 0.000 0.654 484 V HN 0.649 nan 8.190 nan 0.000 0.451 485 D N -0.989 119.369 120.400 -0.069 0.000 2.117 485 D HA -0.201 4.439 4.640 -0.001 0.000 0.197 485 D C 2.010 178.312 176.300 0.002 0.000 0.987 485 D CA 1.608 55.566 54.000 -0.069 0.000 0.829 485 D CB -0.248 40.450 40.800 -0.169 0.000 0.961 485 D HN 0.591 nan 8.370 nan 0.000 0.460 486 Y N 0.448 120.773 120.300 0.042 0.000 2.181 486 Y HA -0.139 4.410 4.550 -0.001 0.000 0.288 486 Y C 2.578 178.434 175.900 -0.073 0.000 1.146 486 Y CA 1.123 59.242 58.100 0.031 0.000 1.164 486 Y CB -0.099 38.446 38.460 0.142 0.000 0.982 486 Y HN 0.084 nan 8.280 nan 0.000 0.515 487 E N 0.455 120.733 120.200 0.131 0.000 2.051 487 E HA -0.262 4.087 4.350 -0.001 0.000 0.192 487 E C 2.013 178.680 176.600 0.111 0.000 0.991 487 E CA 1.322 57.817 56.400 0.158 0.000 0.799 487 E CB -0.046 29.835 29.700 0.301 0.000 0.748 487 E HN 0.568 nan 8.360 nan 0.000 0.449 488 Q N 0.272 120.127 119.800 0.091 0.000 2.084 488 Q HA -0.117 4.222 4.340 -0.001 0.000 0.202 488 Q C 1.013 177.044 176.000 0.052 0.000 0.978 488 Q CA 0.958 56.801 55.803 0.068 0.000 0.844 488 Q CB -0.088 28.683 28.738 0.054 0.000 0.898 488 Q HN 0.130 nan 8.270 nan 0.000 0.426 492 E N 0.567 120.775 120.200 0.014 0.000 2.106 492 E HA -0.044 4.305 4.350 -0.001 0.000 0.192 492 E C 1.638 178.236 176.600 -0.003 0.000 0.984 492 E CA 1.130 57.536 56.400 0.010 0.000 0.806 492 E CB -0.022 29.684 29.700 0.011 0.000 0.750 492 E HN 0.444 nan 8.360 nan 0.000 0.458 493 A N 1.353 124.162 122.820 -0.019 0.000 1.902 493 A HA -0.140 4.179 4.320 -0.001 0.000 0.217 493 A C 2.205 179.774 177.584 -0.025 0.000 1.181 493 A CA 0.957 52.974 52.037 -0.033 0.000 0.623 493 A CB -0.589 18.377 19.000 -0.056 0.000 0.818 493 A HN 0.123 nan 8.150 nan 0.000 0.443 494 L N -0.670 120.525 121.223 -0.047 0.000 2.046 494 L HA -0.213 4.126 4.340 -0.001 0.000 0.208 494 L C 2.595 179.507 176.870 0.071 0.000 1.077 494 L CA 1.731 56.546 54.840 -0.041 0.000 0.747 494 L CB -0.393 41.578 42.059 -0.146 0.000 0.896 494 L HN 0.367 nan 8.230 nan 0.000 0.432 495 K N -0.135 120.293 120.400 0.045 0.000 2.097 495 K HA -0.125 4.194 4.320 -0.001 0.000 0.205 495 K C 2.225 178.851 176.600 0.043 0.000 1.050 495 K CA 1.270 57.589 56.287 0.053 0.000 0.938 495 K CB -0.247 32.273 32.500 0.032 0.000 0.718 495 K HN 0.278 nan 8.250 nan 0.000 0.442 496 A N 1.099 123.932 122.820 0.022 0.000 1.902 496 A HA -0.218 4.102 4.320 -0.001 0.000 0.217 496 A C 2.408 179.997 177.584 0.008 0.000 1.181 496 A CA 1.592 53.630 52.037 0.002 0.000 0.623 496 A CB -1.131 17.859 19.000 -0.018 0.000 0.818 496 A HN 0.515 nan 8.150 nan 0.000 0.443 497 C N -0.361 118.966 119.300 0.044 0.000 2.432 497 C HA -0.034 4.425 4.460 -0.001 0.000 0.277 497 C C 1.939 176.974 174.990 0.074 0.000 1.249 497 C CA 1.010 60.067 59.018 0.065 0.000 1.725 497 C CB -1.371 26.470 27.740 0.167 0.000 2.028 497 C HN 0.731 nan 8.230 nan 0.000 0.477 503 Q N 1.092 121.029 119.800 0.229 0.000 2.124 503 Q HA 0.057 4.396 4.340 -0.001 0.000 0.202 503 Q C 1.710 177.939 176.000 0.382 0.000 0.977 503 Q CA 1.953 57.962 55.803 0.343 0.000 0.850 503 Q CB -0.032 28.822 28.738 0.193 0.000 0.901 503 Q HN 0.494 nan 8.270 nan 0.000 0.429 504 S N 0.310 116.122 115.700 0.187 0.000 2.368 504 S HA -0.088 4.381 4.470 -0.001 0.000 0.224 504 S C 2.195 176.830 174.600 0.058 0.000 1.029 504 S CA 1.037 59.396 58.200 0.265 0.000 0.988 504 S CB -0.213 63.073 63.200 0.143 0.000 0.838 504 S HN 0.130 nan 8.310 nan 0.000 0.462 505 V N 0.702 120.520 119.914 -0.159 0.000 2.343 505 V HA -0.192 3.927 4.120 -0.001 0.000 0.247 505 V C 1.991 178.050 176.094 -0.059 0.000 1.051 505 V CA 1.795 63.876 62.300 -0.364 0.000 1.036 505 V CB -0.745 30.450 31.823 -1.047 0.000 0.654 505 V HN 0.514 nan 8.190 nan 0.000 0.451 506 Y N 1.106 121.439 120.300 0.056 0.000 2.181 506 Y HA -0.244 4.306 4.550 -0.001 0.000 0.288 506 Y C 2.763 178.727 175.900 0.106 0.000 1.146 506 Y CA 2.216 60.449 58.100 0.221 0.000 1.164 506 Y CB -0.298 38.208 38.460 0.076 0.000 0.982 506 Y HN 0.091 nan 8.280 nan 0.000 0.515 507 R N -0.245 120.217 120.500 -0.063 0.000 2.092 507 R HA -0.100 4.240 4.340 -0.001 0.000 0.231 507 R C 2.112 178.086 176.300 -0.543 0.000 1.119 507 R CA 1.488 57.179 56.100 -0.681 0.000 0.970 507 R CB -0.358 29.499 30.300 -0.739 0.000 0.864 507 R HN 0.425 nan 8.270 nan 0.000 0.440 508 L N 0.306 121.346 121.223 -0.305 0.000 2.291 508 L HA -0.060 4.279 4.340 -0.001 0.000 0.214 508 L C 1.398 178.128 176.870 -0.234 0.000 1.120 508 L CA 0.776 55.403 54.840 -0.355 0.000 0.799 508 L CB 0.113 41.800 42.059 -0.620 0.000 0.925 508 L HN 0.228 nan 8.230 nan 0.000 0.446 509 L N -1.222 119.961 121.223 -0.067 0.000 3.066 509 L HA 0.224 4.563 4.340 -0.001 0.000 0.265 509 L C -0.207 176.693 176.870 0.050 0.000 1.232 509 L CA -0.105 54.777 54.840 0.071 0.000 1.031 509 L CB 0.424 42.678 42.059 0.325 0.000 1.379 509 L HN -0.008 nan 8.230 nan 0.000 0.563 510 T N 0.089 114.595 114.554 -0.080 0.000 2.841 510 T HA 0.183 4.533 4.350 -0.001 0.000 0.283 510 T C -0.149 174.460 174.700 -0.153 0.000 1.000 510 T CA -0.576 61.452 62.100 -0.120 0.000 0.977 510 T CB 2.395 71.128 68.868 -0.226 0.000 0.979 510 T HN 0.022 nan 8.240 nan 0.000 0.446 511 K N 3.981 124.306 120.400 -0.126 0.000 2.504 511 K HA -0.015 4.305 4.320 -0.001 0.000 0.278 511 K C -1.729 174.835 176.600 -0.060 0.000 1.025 511 K CA -1.050 55.181 56.287 -0.094 0.000 1.093 511 K CB 0.413 32.865 32.500 -0.080 0.000 0.873 511 K HN 0.171 nan 8.250 nan 0.000 0.483 512 P HA -0.259 nan 4.420 nan 0.000 0.217 512 P C 0.838 178.152 177.300 0.024 0.000 1.158 512 P CA 1.872 64.949 63.100 -0.037 0.000 0.887 512 P CB 0.112 31.786 31.700 -0.043 0.000 0.792 513 S N -2.321 113.383 115.700 0.007 0.000 2.603 513 S HA 0.024 4.494 4.470 -0.001 0.000 0.229 513 S C 1.678 176.291 174.600 0.021 0.000 0.972 513 S CA 0.616 58.825 58.200 0.014 0.000 0.935 513 S CB -1.099 62.101 63.200 -0.001 0.000 0.769 513 S HN 0.118 nan 8.310 nan 0.000 0.536 514 I N -0.967 119.622 120.570 0.031 0.000 3.616 514 I HA 0.207 4.376 4.170 -0.001 0.000 0.296 514 I C 0.503 176.662 176.117 0.071 0.000 1.226 514 I CA -0.423 60.900 61.300 0.037 0.000 1.394 514 I CB -0.051 37.963 38.000 0.023 0.000 1.171 514 I HN 0.240 nan 8.210 nan 0.000 0.442 515 Y N 3.045 123.299 120.300 -0.078 0.000 2.852 515 Y HA -0.078 4.472 4.550 -0.001 0.000 0.343 515 Y C 0.448 176.331 175.900 -0.029 0.000 1.280 515 Y CA 0.104 58.140 58.100 -0.108 0.000 1.604 515 Y CB 0.286 38.644 38.460 -0.170 0.000 1.216 515 Y HN -0.107 nan 8.280 nan 0.000 0.541 516 S N 8.941 124.447 115.700 -0.325 0.000 2.279 516 S HA 0.362 4.832 4.470 -0.001 0.000 0.176 516 S C -2.805 171.588 174.600 -0.346 0.000 1.554 516 S CA -1.232 56.773 58.200 -0.325 0.000 1.242 516 S CB -0.017 63.113 63.200 -0.117 0.000 1.163 516 S HN 0.662 nan 8.310 nan 0.000 0.449 517 P HA 0.318 nan 4.420 nan 0.000 0.275 517 P C -1.191 175.843 177.300 -0.443 0.000 1.227 517 P CA -0.151 62.684 63.100 -0.443 0.000 0.781 517 P CB 0.858 32.215 31.700 -0.572 0.000 0.906 518 D N 2.616 122.951 120.400 -0.108 0.000 2.460 518 D HA 0.147 4.787 4.640 -0.001 0.000 0.232 518 D C 0.332 176.655 176.300 0.037 0.000 1.079 518 D CA -0.717 53.203 54.000 -0.134 0.000 0.864 518 D CB 0.167 40.910 40.800 -0.096 0.000 1.048 518 D HN 0.035 nan 8.370 nan 0.000 0.523 519 F N 1.629 121.686 119.950 0.178 0.000 2.664 519 F HA -0.074 4.452 4.527 -0.001 0.000 0.297 519 F C 2.358 178.227 175.800 0.116 0.000 1.164 519 F CA 0.602 58.707 58.000 0.175 0.000 1.472 519 F CB -0.498 38.589 39.000 0.145 0.000 1.108 519 F HN 0.344 nan 8.300 nan 0.000 0.596 520 S N -2.155 113.682 115.700 0.228 0.000 2.540 520 S HA 0.145 4.615 4.470 -0.001 0.000 0.222 520 S C 0.293 174.938 174.600 0.075 0.000 1.008 520 S CA -0.446 57.833 58.200 0.132 0.000 0.939 520 S CB -0.566 62.692 63.200 0.097 0.000 0.865 520 S HN 0.077 nan 8.310 nan 0.000 0.499 521 F N 3.096 122.973 119.950 -0.121 0.000 2.375 521 F HA 0.593 5.119 4.527 -0.001 0.000 0.333 521 F C -0.008 175.567 175.800 -0.375 0.000 1.104 521 F CA -0.585 57.214 58.000 -0.336 0.000 1.149 521 F CB 1.483 40.117 39.000 -0.610 0.000 1.190 521 F HN -0.035 nan 8.300 nan 0.000 0.533 522 S N 5.973 120.914 115.700 -1.265 0.000 2.466 522 S HA 0.168 4.637 4.470 -0.001 0.000 0.313 522 S C 0.315 174.268 174.600 -1.077 0.000 1.078 522 S CA -0.340 57.358 58.200 -0.836 0.000 1.115 522 S CB -0.161 62.683 63.200 -0.593 0.000 1.006 522 S HN 0.669 nan 8.310 nan 0.000 0.487 523 Y N 1.523 121.540 120.300 -0.472 0.000 2.337 523 Y HA 0.179 4.728 4.550 -0.001 0.000 0.293 523 Y C 0.316 175.673 175.900 -0.905 0.000 1.123 523 Y CA 0.696 58.398 58.100 -0.663 0.000 1.201 523 Y CB 0.184 38.270 38.460 -0.624 0.000 1.011 523 Y HN 0.489 nan 8.280 nan 0.000 0.545 524 F N -1.802 118.093 119.950 -0.092 0.000 2.599 524 F HA 0.463 4.990 4.527 -0.001 0.000 0.311 524 F C -0.209 175.623 175.800 0.052 0.000 1.076 524 F CA -1.259 56.764 58.000 0.037 0.000 0.937 524 F CB 1.767 40.927 39.000 0.266 0.000 1.282 524 F HN -0.519 nan 8.300 nan 0.000 0.460 525 T N 3.104 117.824 114.554 0.277 0.000 2.807 525 T HA 0.516 4.865 4.350 -0.001 0.000 0.279 525 T C -0.362 174.440 174.700 0.169 0.000 0.993 525 T CA -0.580 61.613 62.100 0.154 0.000 0.970 525 T CB 1.036 69.948 68.868 0.074 0.000 0.950 525 T HN 0.329 nan 8.240 nan 0.000 0.441 526 L N 2.860 124.116 121.223 0.056 0.000 2.380 526 L HA 0.343 4.682 4.340 -0.001 0.000 0.273 526 L C 0.162 177.012 176.870 -0.033 0.000 1.138 526 L CA -0.220 54.549 54.840 -0.118 0.000 0.832 526 L CB 0.625 42.584 42.059 -0.167 0.000 1.124 526 L HN 0.658 nan 8.230 nan 0.000 0.454 527 D N 2.114 122.472 120.400 -0.071 0.000 2.425 527 D HA 0.190 4.829 4.640 -0.001 0.000 0.240 527 D C -1.137 175.080 176.300 -0.137 0.000 1.080 527 D CA -0.376 53.586 54.000 -0.063 0.000 0.836 527 D CB 1.059 41.850 40.800 -0.015 0.000 1.125 527 D HN 0.276 nan 8.370 nan 0.000 0.525 528 D N 2.036 122.387 120.400 -0.082 0.000 2.481 528 D HA 0.103 4.742 4.640 -0.001 0.000 0.246 528 D C 0.630 176.872 176.300 -0.096 0.000 1.109 528 D CA -0.370 53.605 54.000 -0.042 0.000 0.845 528 D CB 1.663 42.546 40.800 0.138 0.000 1.160 528 D HN 0.342 nan 8.370 nan 0.000 0.534 529 S N 3.250 118.861 115.700 -0.148 0.000 2.527 529 S HA 0.051 4.521 4.470 -0.001 0.000 0.222 529 S C 1.156 175.710 174.600 -0.078 0.000 0.985 529 S CA 0.172 58.273 58.200 -0.164 0.000 0.921 529 S CB 0.249 63.325 63.200 -0.207 0.000 0.772 529 S HN 0.480 nan 8.310 nan 0.000 0.529 530 R N -0.284 120.205 120.500 -0.018 0.000 2.508 530 R HA 0.311 4.650 4.340 -0.001 0.000 0.300 530 R C -0.810 175.563 176.300 0.122 0.000 0.970 530 R CA -0.217 55.899 56.100 0.026 0.000 1.102 530 R CB 0.554 30.866 30.300 0.020 0.000 1.246 530 R HN 0.536 nan 8.270 nan 0.000 0.539 531 W N 1.135 122.386 121.300 -0.082 0.000 3.405 531 W HA 0.274 4.934 4.660 -0.001 0.000 0.329 531 W C -2.956 173.520 176.519 -0.072 0.000 1.142 531 W CA -1.924 55.361 57.345 -0.101 0.000 1.235 531 W CB 1.721 31.100 29.460 -0.135 0.000 1.341 531 W HN -0.186 nan 8.180 nan 0.000 0.481 532 P HA 0.084 nan 4.420 nan 0.000 0.226 532 P C 0.405 177.342 177.300 -0.605 0.000 1.153 532 P CA 1.882 64.124 63.100 -1.430 0.000 0.777 532 P CB 0.277 31.384 31.700 -0.987 0.000 0.794 533 G N -1.117 107.501 108.800 -0.304 0.000 2.629 533 G HA2 -0.084 3.875 3.960 -0.001 0.000 0.686 533 G HA3 -0.084 3.875 3.960 -0.001 0.000 0.686 533 G C -0.441 174.402 174.900 -0.094 0.000 1.232 533 G CA -0.511 44.502 45.100 -0.145 0.000 0.803 533 G HN 0.088 nan 8.290 nan 0.000 0.638 534 S N 0.168 115.852 115.700 -0.027 0.000 2.537 534 S HA 0.525 4.994 4.470 -0.001 0.000 0.286 534 S C 1.814 176.414 174.600 0.001 0.000 1.299 534 S CA 1.982 60.196 58.200 0.024 0.000 1.067 534 S CB 0.275 63.525 63.200 0.084 0.000 0.864 534 S HN 2.698 nan 8.310 nan 0.000 0.494 535 G N 2.823 111.624 108.800 0.001 0.000 2.199 535 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.254 535 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.254 535 G C 0.599 175.477 174.900 -0.036 0.000 0.982 535 G CA 0.334 45.427 45.100 -0.012 0.000 0.632 535 G HN 0.857 nan 8.290 nan 0.000 0.529 536 V N -0.375 119.500 119.914 -0.065 0.000 2.690 536 V HA 0.473 4.592 4.120 -0.001 0.000 0.240 536 V C 0.749 176.783 176.094 -0.101 0.000 1.078 536 V CA 1.783 64.026 62.300 -0.095 0.000 1.102 536 V CB 0.953 32.682 31.823 -0.158 0.000 0.800 536 V HN 0.532 nan 8.190 nan 0.000 0.479 537 E N 0.338 120.474 120.200 -0.107 0.000 2.406 537 E HA 0.148 4.498 4.350 -0.001 0.000 0.297 537 E C -1.779 174.788 176.600 -0.054 0.000 0.917 537 E CA -0.437 55.911 56.400 -0.088 0.000 0.795 537 E CB 1.520 31.142 29.700 -0.130 0.000 1.285 537 E HN 0.277 nan 8.360 nan 0.000 0.400 538 D N 2.853 123.244 120.400 -0.014 0.000 2.441 538 D HA 0.076 4.716 4.640 -0.001 0.000 0.243 538 D C 0.623 176.932 176.300 0.016 0.000 1.257 538 D CA 0.660 54.674 54.000 0.023 0.000 1.027 538 D CB 0.519 41.337 40.800 0.029 0.000 1.084 538 D HN 0.368 nan 8.370 nan 0.000 0.514 539 S N 3.062 118.765 115.700 0.006 0.000 2.545 539 S HA 0.030 4.500 4.470 -0.001 0.000 0.232 539 S C 0.928 175.542 174.600 0.024 0.000 1.070 539 S CA -0.620 57.580 58.200 0.001 0.000 0.923 539 S CB -0.111 63.068 63.200 -0.034 0.000 0.806 539 S HN 0.489 nan 8.310 nan 0.000 0.506 540 R N 2.897 123.409 120.500 0.021 0.000 2.590 540 R HA 0.339 4.678 4.340 -0.001 0.000 0.274 540 R C 0.070 176.430 176.300 0.101 0.000 1.061 540 R CA 0.220 56.328 56.100 0.014 0.000 1.081 540 R CB -0.436 29.786 30.300 -0.130 0.000 0.984 540 R HN 0.306 nan 8.270 nan 0.000 0.448 541 T N -0.223 114.390 114.554 0.099 0.000 2.882 541 T HA 0.170 4.519 4.350 -0.001 0.000 0.287 541 T C 0.108 174.933 174.700 0.207 0.000 1.014 541 T CA -0.605 61.574 62.100 0.132 0.000 1.049 541 T CB 1.398 70.325 68.868 0.100 0.000 1.001 541 T HN 0.565 nan 8.240 nan 0.000 0.525 542 T N 2.376 117.047 114.554 0.194 0.000 2.837 542 T HA 0.436 4.786 4.350 -0.001 0.000 0.285 542 T C 0.316 175.125 174.700 0.182 0.000 0.984 542 T CA -0.565 61.670 62.100 0.225 0.000 1.049 542 T CB 0.356 69.312 68.868 0.146 0.000 0.947 542 T HN 0.556 nan 8.240 nan 0.000 0.472 543 I N 4.077 124.774 120.570 0.211 0.000 2.363 543 I HA 0.221 4.390 4.170 -0.001 0.000 0.292 543 I C 0.115 176.319 176.117 0.146 0.000 1.075 543 I CA -0.138 61.264 61.300 0.170 0.000 1.333 543 I CB 0.219 38.321 38.000 0.171 0.000 1.415 543 I HN 0.448 nan 8.210 nan 0.000 0.502 544 I N 8.006 128.646 120.570 0.118 0.000 2.301 544 I HA 0.296 4.465 4.170 -0.001 0.000 0.292 544 I C -0.149 176.028 176.117 0.101 0.000 1.046 544 I CA -0.149 61.212 61.300 0.102 0.000 1.282 544 I CB 0.432 38.479 38.000 0.079 0.000 1.409 544 I HN 0.382 nan 8.210 nan 0.000 0.484 545 L N 5.873 127.160 121.223 0.105 0.000 2.341 545 L HA 0.951 5.291 4.340 -0.001 0.000 0.267 545 L C 0.118 177.044 176.870 0.093 0.000 1.009 545 L CA -0.690 54.211 54.840 0.101 0.000 0.819 545 L CB 2.194 44.319 42.059 0.110 0.000 1.323 545 L HN 0.701 nan 8.230 nan 0.000 0.425 546 G N 0.236 109.087 108.800 0.085 0.000 2.596 546 G HA2 0.208 4.168 3.960 -0.001 0.000 0.296 546 G HA3 0.208 4.168 3.960 -0.001 0.000 0.296 546 G C -0.278 174.663 174.900 0.068 0.000 1.513 546 G CA -0.511 44.636 45.100 0.077 0.000 0.851 546 G HN 0.680 nan 8.290 nan 0.000 0.548 547 E N 0.196 120.434 120.200 0.064 0.000 2.130 547 E HA -0.131 4.218 4.350 -0.001 0.000 0.196 547 E C 0.753 177.380 176.600 0.046 0.000 0.998 547 E CA 1.339 57.771 56.400 0.053 0.000 0.806 547 E CB 0.239 29.968 29.700 0.047 0.000 0.738 547 E HN 0.473 nan 8.360 nan 0.000 0.459 548 D N -0.591 119.836 120.400 0.045 0.000 2.325 548 D HA 0.083 4.723 4.640 -0.001 0.000 0.225 548 D C 1.019 177.343 176.300 0.040 0.000 1.096 548 D CA 0.266 54.289 54.000 0.039 0.000 0.844 548 D CB 0.804 41.625 40.800 0.034 0.000 0.925 548 D HN 0.153 nan 8.370 nan 0.000 0.513 549 I N -0.869 119.730 120.570 0.048 0.000 4.420 549 I HA 0.191 4.360 4.170 -0.001 0.000 0.292 549 I C -1.497 174.655 176.117 0.058 0.000 1.153 549 I CA 0.162 61.492 61.300 0.049 0.000 1.315 549 I CB 1.143 39.172 38.000 0.050 0.000 1.616 549 I HN -0.159 nan 8.210 nan 0.000 0.450 550 L N 2.307 123.570 121.223 0.067 0.000 2.795 550 L HA 0.518 4.857 4.340 -0.001 0.000 0.260 550 L C -2.462 174.460 176.870 0.085 0.000 0.935 550 L CA -0.829 54.059 54.840 0.079 0.000 0.985 550 L CB 1.804 43.916 42.059 0.089 0.000 1.433 550 L HN -0.102 nan 8.230 nan 0.000 0.447 551 P HA 0.045 nan 4.420 nan 0.000 0.221 551 P C -0.096 177.261 177.300 0.095 0.000 1.155 551 P CA 0.817 63.967 63.100 0.083 0.000 0.812 551 P CB 0.505 32.248 31.700 0.070 0.000 0.801 552 S N -1.872 113.896 115.700 0.113 0.000 2.638 552 S HA 0.732 5.201 4.470 -0.001 0.000 0.274 552 S C -1.180 173.528 174.600 0.181 0.000 1.157 552 S CA -0.700 57.579 58.200 0.132 0.000 0.826 552 S CB 2.544 65.821 63.200 0.127 0.000 1.139 552 S HN -0.083 nan 8.310 nan 0.000 0.474 553 K N 0.413 120.934 120.400 0.202 0.000 2.535 553 K HA 0.412 4.731 4.320 -0.001 0.000 0.251 553 K C -1.770 175.024 176.600 0.324 0.000 0.942 553 K CA -0.262 56.186 56.287 0.267 0.000 0.798 553 K CB 1.158 33.771 32.500 0.188 0.000 1.267 553 K HN 0.876 nan 8.250 nan 0.000 0.434 554 H N 2.075 121.287 119.070 0.236 0.000 2.548 554 H HA 0.483 5.039 4.556 -0.001 0.000 0.331 554 H C -0.215 175.333 175.328 0.367 0.000 1.093 554 H CA -0.703 55.526 56.048 0.301 0.000 1.367 554 H CB 1.401 31.417 29.762 0.423 0.000 1.455 554 H HN 0.450 nan 8.280 nan 0.000 0.519 555 V N 1.082 121.246 119.914 0.418 0.000 2.962 555 V HA 0.692 4.812 4.120 -0.001 0.000 0.313 555 V C -0.440 175.978 176.094 0.539 0.000 1.099 555 V CA -0.733 61.807 62.300 0.400 0.000 0.971 555 V CB 1.680 33.489 31.823 -0.023 0.000 1.028 555 V HN 0.456 nan 8.190 nan 0.000 0.430 559 N N 2.890 121.324 118.700 -0.442 0.000 2.569 559 N HA 0.113 4.853 4.740 -0.001 0.000 0.254 559 N C 0.298 175.471 175.510 -0.561 0.000 1.004 559 N CA -0.027 52.794 53.050 -0.382 0.000 0.904 559 N CB 1.799 40.167 38.487 -0.198 0.000 1.165 559 N HN 0.607 nan 8.380 nan 0.000 0.513 560 T N 2.818 117.086 114.554 -0.476 0.000 3.035 560 T HA 0.144 4.493 4.350 -0.001 0.000 0.268 560 T C 0.690 175.356 174.700 -0.056 0.000 1.109 560 T CA 0.556 62.553 62.100 -0.171 0.000 1.119 560 T CB -0.246 68.662 68.868 0.067 0.000 0.900 560 T HN 0.420 nan 8.240 nan 0.000 0.503 561 L N 2.804 123.941 121.223 -0.144 0.000 2.417 561 L HA 0.302 4.642 4.340 -0.001 0.000 0.268 561 L C -1.540 175.188 176.870 -0.236 0.000 1.158 561 L CA -1.891 52.831 54.840 -0.197 0.000 0.819 561 L CB 0.623 42.440 42.059 -0.404 0.000 1.112 561 L HN -0.036 nan 8.230 nan 0.000 0.458 562 P HA 0.025 nan 4.420 nan 0.000 0.254 562 P C -0.926 176.400 177.300 0.043 0.000 1.631 562 P CA 0.416 63.511 63.100 -0.008 0.000 0.861 562 P CB -0.393 31.360 31.700 0.089 0.000 1.663 563 H N -3.337 115.743 119.070 0.016 0.000 3.046 563 H HA 0.212 4.768 4.556 -0.001 0.000 0.361 563 H C -1.148 174.194 175.328 0.024 0.000 1.235 563 H CA -1.045 55.031 56.048 0.046 0.000 1.146 563 H CB -0.155 29.668 29.762 0.102 0.000 1.859 563 H HN -0.137 nan 8.280 nan 0.000 0.548 564 W N 1.911 123.305 121.300 0.157 0.000 2.257 564 W HA 0.241 4.900 4.660 -0.001 0.000 0.337 564 W C 0.920 177.531 176.519 0.154 0.000 1.321 564 W CA 0.457 57.856 57.345 0.090 0.000 1.267 564 W CB 0.455 29.943 29.460 0.046 0.000 1.187 564 W HN 0.526 nan 8.180 nan 0.000 0.565 565 R N 2.341 123.027 120.500 0.310 0.000 2.604 565 R HA 0.317 4.657 4.340 -0.001 0.000 0.281 565 R C -1.092 175.328 176.300 0.200 0.000 1.020 565 R CA -0.660 55.582 56.100 0.237 0.000 0.899 565 R CB 1.463 31.834 30.300 0.118 0.000 1.205 565 R HN 0.504 nan 8.270 nan 0.000 0.450 566 E N 2.521 122.819 120.200 0.163 0.000 2.195 566 E HA 0.263 4.612 4.350 -0.001 0.000 0.271 566 E C -1.321 175.321 176.600 0.071 0.000 0.923 566 E CA -0.816 55.659 56.400 0.125 0.000 0.790 566 E CB 2.520 32.288 29.700 0.114 0.000 1.155 566 E HN 0.426 nan 8.360 nan 0.000 0.402 567 Q N 3.031 122.850 119.800 0.030 0.000 2.386 567 Q HA 0.254 4.593 4.340 -0.001 0.000 0.274 567 Q C -1.605 174.348 176.000 -0.079 0.000 1.011 567 Q CA -0.584 55.209 55.803 -0.017 0.000 0.867 567 Q CB 1.462 30.182 28.738 -0.030 0.000 1.409 567 Q HN 0.553 nan 8.270 nan 0.000 0.395 568 L N 3.240 124.410 121.223 -0.087 0.000 2.416 568 L HA 0.422 4.761 4.340 -0.001 0.000 0.272 568 L C 0.141 176.869 176.870 -0.237 0.000 1.161 568 L CA -0.405 54.346 54.840 -0.149 0.000 0.845 568 L CB 0.847 42.857 42.059 -0.083 0.000 1.119 568 L HN 0.505 nan 8.230 nan 0.000 0.464 569 V N -0.501 119.165 119.914 -0.414 0.000 2.914 569 V HA 0.698 4.818 4.120 -0.001 0.000 0.314 569 V C -0.969 174.843 176.094 -0.470 0.000 1.084 569 V CA -0.860 61.154 62.300 -0.476 0.000 0.963 569 V CB 2.174 33.666 31.823 -0.553 0.000 1.025 569 V HN 0.796 nan 8.190 nan 0.000 0.432 570 D N 1.465 121.587 120.400 -0.463 0.000 2.601 570 D HA 0.646 5.286 4.640 -0.001 0.000 0.230 570 D C -1.430 174.574 176.300 -0.494 0.000 1.106 570 D CA -0.409 53.430 54.000 -0.268 0.000 0.873 570 D CB 2.515 43.241 40.800 -0.124 0.000 1.515 570 D HN 0.452 nan 8.370 nan 0.000 0.468 571 F N -0.221 119.761 119.950 0.053 0.000 2.599 571 F HA 0.341 4.867 4.527 -0.001 0.000 0.311 571 F C -0.700 175.220 175.800 0.201 0.000 1.076 571 F CA -1.027 57.015 58.000 0.070 0.000 0.937 571 F CB 1.637 40.735 39.000 0.163 0.000 1.282 571 F HN 0.155 nan 8.300 nan 0.000 0.460 572 Y N 2.175 122.639 120.300 0.274 0.000 2.316 572 Y HA 0.570 5.120 4.550 -0.001 0.000 0.331 572 Y C 0.136 176.160 175.900 0.207 0.000 1.083 572 Y CA -1.478 56.730 58.100 0.180 0.000 1.206 572 Y CB 0.999 39.520 38.460 0.101 0.000 1.195 572 Y HN 0.335 nan 8.280 nan 0.000 0.497 573 V N -0.281 119.845 119.914 0.353 0.000 2.962 573 V HA 0.540 4.660 4.120 -0.001 0.000 0.313 573 V C 0.417 176.661 176.094 0.250 0.000 1.099 573 V CA -0.760 61.705 62.300 0.274 0.000 0.971 573 V CB 1.698 33.676 31.823 0.259 0.000 1.028 573 V HN 0.680 nan 8.190 nan 0.000 0.430 574 S N 0.412 116.232 115.700 0.200 0.000 2.603 574 S HA 0.206 4.676 4.470 -0.001 0.000 0.220 574 S C 0.692 175.436 174.600 0.239 0.000 0.967 574 S CA 0.542 58.852 58.200 0.184 0.000 0.920 574 S CB -0.276 62.997 63.200 0.122 0.000 0.773 574 S HN 1.432 nan 8.310 nan 0.000 0.529 575 S N 1.146 116.972 115.700 0.211 0.000 2.541 575 S HA 0.554 5.024 4.470 -0.001 0.000 0.271 575 S C -2.583 171.901 174.600 -0.193 0.000 1.133 575 S CA -1.317 56.881 58.200 -0.005 0.000 0.876 575 S CB 2.002 65.215 63.200 0.022 0.000 1.105 575 S HN 0.019 nan 8.310 nan 0.000 0.470 576 P HA 0.170 nan 4.420 nan 0.000 0.240 576 P C 0.067 177.287 177.300 -0.135 0.000 1.190 576 P CA 0.363 63.133 63.100 -0.551 0.000 0.781 576 P CB -0.117 30.986 31.700 -0.995 0.000 0.931 577 F N 1.004 120.970 119.950 0.025 0.000 2.573 577 F HA 0.242 4.768 4.527 -0.001 0.000 0.349 577 F C 0.363 176.207 175.800 0.074 0.000 1.213 577 F CA -0.808 57.238 58.000 0.077 0.000 1.300 577 F CB 0.256 39.266 39.000 0.017 0.000 1.661 577 F HN -0.332 nan 8.300 nan 0.000 0.616 578 V N 0.971 121.022 119.914 0.229 0.000 2.656 578 V HA 0.488 4.608 4.120 -0.001 0.000 0.307 578 V C -0.287 175.874 176.094 0.111 0.000 1.051 578 V CA -0.807 61.584 62.300 0.151 0.000 0.893 578 V CB 2.262 34.164 31.823 0.133 0.000 0.999 578 V HN 0.482 nan 8.190 nan 0.000 0.426 579 S N 3.091 118.838 115.700 0.078 0.000 2.566 579 S HA 0.887 5.357 4.470 -0.001 0.000 0.298 579 S C -0.905 173.681 174.600 -0.022 0.000 1.083 579 S CA -0.777 57.450 58.200 0.046 0.000 0.978 579 S CB 2.035 65.277 63.200 0.071 0.000 1.073 579 S HN 0.440 nan 8.310 nan 0.000 0.491 580 V N 1.949 121.812 119.914 -0.085 0.000 2.581 580 V HA 0.839 4.959 4.120 -0.001 0.000 0.303 580 V C 0.094 176.098 176.094 -0.149 0.000 1.041 580 V CA -0.458 61.712 62.300 -0.217 0.000 0.907 580 V CB 1.599 33.099 31.823 -0.537 0.000 0.994 580 V HN 1.216 nan 8.190 nan 0.000 0.442 581 T N -0.620 113.862 114.554 -0.120 0.000 2.900 581 T HA 0.624 4.974 4.350 -0.001 0.000 0.303 581 T C -0.987 173.677 174.700 -0.059 0.000 1.142 581 T CA -0.936 61.115 62.100 -0.082 0.000 1.007 581 T CB 2.086 70.901 68.868 -0.089 0.000 1.156 581 T HN 0.709 nan 8.240 nan 0.000 0.490 582 D N 0.877 121.211 120.400 -0.110 0.000 2.478 582 D HA 0.262 4.901 4.640 -0.001 0.000 0.269 582 D C 1.233 177.378 176.300 -0.259 0.000 1.232 582 D CA -1.208 52.603 54.000 -0.315 0.000 1.059 582 D CB 0.330 40.938 40.800 -0.321 0.000 1.104 582 D HN 0.342 nan 8.370 nan 0.000 0.566 583 L N -0.190 120.860 121.223 -0.288 0.000 2.275 583 L HA 0.094 4.433 4.340 -0.001 0.000 0.215 583 L C 2.023 178.801 176.870 -0.153 0.000 1.119 583 L CA 1.547 56.258 54.840 -0.214 0.000 0.790 583 L CB -0.938 41.001 42.059 -0.200 0.000 0.919 583 L HN 0.620 nan 8.230 nan 0.000 0.443 584 A N -1.212 121.523 122.820 -0.141 0.000 2.252 584 A HA -0.002 4.318 4.320 -0.001 0.000 0.207 584 A C 1.166 178.696 177.584 -0.091 0.000 1.194 584 A CA 0.501 52.476 52.037 -0.103 0.000 0.809 584 A CB -0.559 18.387 19.000 -0.091 0.000 0.814 584 A HN 0.612 nan 8.150 nan 0.000 0.482 585 N N -0.297 118.341 118.700 -0.103 0.000 2.782 585 N HA -0.129 4.610 4.740 -0.001 0.000 0.251 585 N C -1.068 174.393 175.510 -0.081 0.000 1.101 585 N CA 0.658 53.657 53.050 -0.085 0.000 0.764 585 N CB -1.360 37.090 38.487 -0.063 0.000 1.122 585 N HN 0.593 nan 8.380 nan 0.000 0.561 586 N N 1.809 120.455 118.700 -0.090 0.000 2.470 586 N HA 0.218 4.958 4.740 -0.001 0.000 0.268 586 N C -2.246 173.192 175.510 -0.120 0.000 1.136 586 N CA -0.603 52.392 53.050 -0.093 0.000 0.961 586 N CB 0.712 39.153 38.487 -0.077 0.000 1.067 586 N HN 0.236 nan 8.380 nan 0.000 0.468 587 P HA 0.050 nan 4.420 nan 0.000 0.269 587 P C -0.539 176.616 177.300 -0.242 0.000 1.209 587 P CA -0.099 62.821 63.100 -0.300 0.000 0.776 587 P CB 0.919 32.189 31.700 -0.717 0.000 0.876 588 V N 2.596 122.417 119.914 -0.156 0.000 2.487 588 V HA 0.216 4.336 4.120 -0.001 0.000 0.298 588 V C 0.553 176.639 176.094 -0.014 0.000 1.028 588 V CA -0.836 61.433 62.300 -0.051 0.000 0.860 588 V CB 1.427 33.244 31.823 -0.010 0.000 0.991 588 V HN 0.582 nan 8.190 nan 0.000 0.427 589 E N 2.787 123.016 120.200 0.048 0.000 2.415 589 E HA 0.442 4.792 4.350 -0.001 0.000 0.263 589 E C -0.198 176.472 176.600 0.117 0.000 0.995 589 E CA 0.107 56.569 56.400 0.102 0.000 0.915 589 E CB 0.855 30.619 29.700 0.106 0.000 0.951 589 E HN 0.881 nan 8.360 nan 0.000 0.449 590 A N 4.346 127.225 122.820 0.099 0.000 2.527 590 A HA 0.437 4.757 4.320 -0.001 0.000 0.293 590 A C -1.257 176.350 177.584 0.038 0.000 1.117 590 A CA -0.692 51.414 52.037 0.114 0.000 0.723 590 A CB 1.967 21.028 19.000 0.102 0.000 1.313 590 A HN 0.655 nan 8.150 nan 0.000 0.411 591 Q N 0.793 120.623 119.800 0.051 0.000 2.347 591 Q HA 0.642 4.982 4.340 -0.001 0.000 0.271 591 Q C -2.055 173.949 176.000 0.006 0.000 1.064 591 Q CA -0.535 55.260 55.803 -0.014 0.000 0.800 591 Q CB 2.205 30.970 28.738 0.045 0.000 1.304 591 Q HN 0.572 nan 8.270 nan 0.000 0.438 592 V N 2.629 122.485 119.914 -0.096 0.000 2.459 592 V HA 0.584 4.704 4.120 -0.001 0.000 0.295 592 V C -0.562 175.719 176.094 0.312 0.000 1.029 592 V CA -0.304 62.044 62.300 0.081 0.000 0.874 592 V CB 1.844 33.666 31.823 -0.001 0.000 0.985 592 V HN 0.842 nan 8.190 nan 0.000 0.438 593 S N 5.225 121.133 115.700 0.347 0.000 2.632 593 S HA 0.698 5.168 4.470 -0.001 0.000 0.289 593 S C -2.776 171.900 174.600 0.126 0.000 1.115 593 S CA -1.172 57.218 58.200 0.318 0.000 0.889 593 S CB 2.481 65.819 63.200 0.230 0.000 1.116 593 S HN 0.521 nan 8.310 nan 0.000 0.486 594 P HA 0.299 nan 4.420 nan 0.000 0.274 594 P C -1.202 175.782 177.300 -0.527 0.000 1.256 594 P CA -0.536 62.195 63.100 -0.615 0.000 0.795 594 P CB 0.427 31.384 31.700 -1.238 0.000 1.038 595 V N 1.756 121.282 119.914 -0.647 0.000 2.334 595 V HA 0.204 4.323 4.120 -0.001 0.000 0.267 595 V C -0.632 175.152 176.094 -0.518 0.000 1.040 595 V CA -0.197 61.825 62.300 -0.463 0.000 0.866 595 V CB -0.421 31.054 31.823 -0.580 0.000 1.019 595 V HN 0.518 nan 8.190 nan 0.000 0.468 596 W N 3.426 124.640 121.300 -0.145 0.000 2.469 596 W HA 0.639 5.298 4.660 -0.001 0.000 0.320 596 W C 0.384 176.813 176.519 -0.150 0.000 1.086 596 W CA -0.415 56.819 57.345 -0.184 0.000 1.211 596 W CB 1.800 31.154 29.460 -0.177 0.000 1.298 596 W HN 0.554 nan 8.180 nan 0.000 0.525 597 S N 1.378 117.085 115.700 0.012 0.000 2.538 597 S HA 0.578 5.047 4.470 -0.001 0.000 0.288 597 S C -1.446 172.915 174.600 -0.400 0.000 1.108 597 S CA -0.982 57.150 58.200 -0.113 0.000 0.971 597 S CB 0.950 64.074 63.200 -0.126 0.000 1.041 597 S HN 0.407 nan 8.310 nan 0.000 0.483 598 W N 2.106 123.158 121.300 -0.412 0.000 2.438 598 W HA 0.557 5.216 4.660 -0.001 0.000 0.324 598 W C 0.455 176.591 176.519 -0.638 0.000 1.119 598 W CA -0.115 56.987 57.345 -0.404 0.000 1.221 598 W CB 0.829 30.165 29.460 -0.207 0.000 1.253 598 W HN 0.633 nan 8.180 nan 0.000 0.555 599 H N 1.593 120.689 119.070 0.042 0.000 2.717 599 H HA 0.110 4.666 4.556 -0.001 0.000 0.366 599 H C -0.793 174.588 175.328 0.089 0.000 1.132 599 H CA -0.823 55.239 56.048 0.024 0.000 1.180 599 H CB 1.893 31.601 29.762 -0.090 0.000 1.678 599 H HN 0.370 nan 8.280 nan 0.000 0.537 600 H N 2.809 121.986 119.070 0.178 0.000 3.008 600 H HA -0.008 4.547 4.556 -0.001 0.000 0.268 600 H C -0.392 175.026 175.328 0.149 0.000 1.323 600 H CA -0.187 55.951 56.048 0.149 0.000 1.401 600 H CB -0.129 29.692 29.762 0.098 0.000 1.556 600 H HN 0.560 nan 8.280 nan 0.000 0.502 601 D N 3.712 124.299 120.400 0.312 0.000 2.368 601 D HA -0.061 4.579 4.640 -0.001 0.000 0.268 601 D C 0.645 177.114 176.300 0.280 0.000 1.298 601 D CA 0.224 54.400 54.000 0.293 0.000 0.938 601 D CB 0.758 41.760 40.800 0.336 0.000 1.101 601 D HN 0.537 nan 8.370 nan 0.000 0.509 602 T N 4.373 119.065 114.554 0.230 0.000 2.881 602 T HA -0.102 4.247 4.350 -0.001 0.000 0.270 602 T C 1.811 176.579 174.700 0.113 0.000 1.068 602 T CA 0.281 62.481 62.100 0.166 0.000 1.131 602 T CB 0.360 69.276 68.868 0.079 0.000 0.871 602 T HN 0.381 nan 8.240 nan 0.000 0.479 603 L N 1.478 122.757 121.223 0.094 0.000 2.071 603 L HA 0.027 4.366 4.340 -0.001 0.000 0.201 603 L C 2.984 179.883 176.870 0.048 0.000 1.076 603 L CA 2.028 56.903 54.840 0.058 0.000 0.755 603 L CB -2.008 40.077 42.059 0.042 0.000 0.915 603 L HN 0.400 nan 8.230 nan 0.000 0.445 604 T N -3.613 110.967 114.554 0.043 0.000 3.118 604 T HA -0.047 4.303 4.350 -0.001 0.000 0.260 604 T C 0.803 175.516 174.700 0.020 0.000 1.139 604 T CA -0.062 62.042 62.100 0.007 0.000 1.085 604 T CB -0.006 68.832 68.868 -0.050 0.000 0.934 604 T HN 0.128 nan 8.240 nan 0.000 0.518 605 K N 1.925 122.363 120.400 0.064 0.000 3.096 605 K HA -0.125 4.195 4.320 -0.001 0.000 0.266 605 K C 0.143 176.735 176.600 -0.012 0.000 1.043 605 K CA 1.292 57.620 56.287 0.068 0.000 0.758 605 K CB -2.805 29.732 32.500 0.062 0.000 1.260 605 K HN 0.900 nan 8.250 nan 0.000 0.481 606 T N -2.892 111.647 114.554 -0.026 0.000 2.896 606 T HA 0.796 5.146 4.350 -0.001 0.000 0.297 606 T C 0.211 174.921 174.700 0.016 0.000 1.108 606 T CA -1.051 61.030 62.100 -0.032 0.000 1.004 606 T CB 2.268 71.127 68.868 -0.015 0.000 1.159 606 T HN 0.131 nan 8.240 nan 0.000 0.499 607 I N 4.073 124.675 120.570 0.054 0.000 2.330 607 I HA 0.407 4.576 4.170 -0.001 0.000 0.286 607 I C -0.030 176.327 176.117 0.400 0.000 1.025 607 I CA -0.773 60.626 61.300 0.164 0.000 1.197 607 I CB 0.483 38.524 38.000 0.068 0.000 1.358 607 I HN 0.760 nan 8.210 nan 0.000 0.467 608 H N 6.677 125.844 119.070 0.161 0.000 2.946 608 H HA 0.631 5.187 4.556 -0.001 0.000 0.365 608 H C -3.262 171.836 175.328 -0.383 0.000 1.197 608 H CA -2.959 53.052 56.048 -0.062 0.000 1.131 608 H CB 1.865 31.594 29.762 -0.056 0.000 1.849 608 H HN 0.176 nan 8.280 nan 0.000 0.555 609 P HA 0.277 nan 4.420 nan 0.000 0.292 609 P C -0.903 176.231 177.300 -0.277 0.000 1.283 609 P CA -0.567 61.920 63.100 -1.023 0.000 0.835 609 P CB 2.130 32.860 31.700 -1.617 0.000 1.017 610 Q N 0.787 120.543 119.800 -0.073 0.000 2.353 610 Q HA 0.611 4.950 4.340 -0.001 0.000 0.268 610 Q C 0.109 176.137 176.000 0.047 0.000 1.045 610 Q CA -0.821 55.032 55.803 0.084 0.000 0.811 610 Q CB 2.504 31.291 28.738 0.082 0.000 1.305 610 Q HN 0.543 nan 8.270 nan 0.000 0.447 611 G N 0.666 109.366 108.800 -0.166 0.000 2.389 611 G HA2 0.343 4.303 3.960 -0.001 0.000 0.328 611 G HA3 0.343 4.303 3.960 -0.001 0.000 0.328 611 G C -0.550 174.061 174.900 -0.482 0.000 1.133 611 G CA -0.368 44.306 45.100 -0.711 0.000 0.891 611 G HN 0.421 nan 8.290 nan 0.000 0.485 612 S N -0.607 114.757 115.700 -0.561 0.000 2.580 612 S HA 0.352 4.821 4.470 -0.001 0.000 0.274 612 S C 1.490 175.796 174.600 -0.491 0.000 1.329 612 S CA 0.249 58.167 58.200 -0.470 0.000 1.036 612 S CB 0.810 63.688 63.200 -0.538 0.000 0.919 612 S HN 0.921 nan 8.310 nan 0.000 0.515 613 T N -0.199 114.152 114.554 -0.337 0.000 3.092 613 T HA 0.190 4.539 4.350 -0.001 0.000 0.258 613 T C 0.983 175.569 174.700 -0.190 0.000 1.031 613 T CA 0.406 62.376 62.100 -0.217 0.000 0.925 613 T CB -0.176 68.632 68.868 -0.101 0.000 1.036 613 T HN 0.703 nan 8.240 nan 0.000 0.544 614 T N -2.426 111.918 114.554 -0.349 0.000 3.046 614 T HA 0.356 4.705 4.350 -0.001 0.000 0.270 614 T C 0.078 174.578 174.700 -0.335 0.000 0.920 614 T CA -0.496 61.476 62.100 -0.213 0.000 0.874 614 T CB 0.317 69.114 68.868 -0.119 0.000 1.214 614 T HN 0.351 nan 8.240 nan 0.000 0.536 615 K N 0.302 120.285 120.400 -0.694 0.000 2.371 615 K HA 0.627 4.947 4.320 -0.001 0.000 0.251 615 K C -1.947 174.059 176.600 -0.989 0.000 0.934 615 K CA -0.794 55.134 56.287 -0.599 0.000 0.798 615 K CB 1.729 33.930 32.500 -0.499 0.000 1.204 615 K HN 0.193 nan 8.250 nan 0.000 0.427 616 Y N 0.670 120.905 120.300 -0.109 0.000 2.581 616 Y HA 0.448 4.997 4.550 -0.001 0.000 0.345 616 Y C -0.348 175.604 175.900 0.086 0.000 1.036 616 Y CA -1.105 56.967 58.100 -0.046 0.000 1.042 616 Y CB 1.786 40.275 38.460 0.049 0.000 1.289 616 Y HN 0.357 nan 8.280 nan 0.000 0.471 617 R N 1.843 122.512 120.500 0.281 0.000 2.294 617 R HA 0.577 4.916 4.340 -0.001 0.000 0.319 617 R C -1.221 175.256 176.300 0.295 0.000 0.984 617 R CA -0.615 55.683 56.100 0.330 0.000 0.861 617 R CB 1.656 32.122 30.300 0.278 0.000 1.104 617 R HN 0.660 nan 8.270 nan 0.000 0.451 618 I N 4.409 125.168 120.570 0.315 0.000 2.377 618 I HA 0.428 4.598 4.170 -0.001 0.000 0.293 618 I C -0.988 175.309 176.117 0.300 0.000 0.987 618 I CA -0.766 60.709 61.300 0.290 0.000 1.185 618 I CB 0.996 39.183 38.000 0.311 0.000 1.341 618 I HN 0.547 nan 8.210 nan 0.000 0.455 619 I N 8.092 128.807 120.570 0.242 0.000 2.545 619 I HA 0.531 4.701 4.170 -0.001 0.000 0.292 619 I C -1.017 175.246 176.117 0.244 0.000 1.040 619 I CA -0.607 60.786 61.300 0.156 0.000 1.068 619 I CB 1.731 39.781 38.000 0.084 0.000 1.251 619 I HN 0.527 nan 8.210 nan 0.000 0.424 620 F N 2.689 122.659 119.950 0.034 0.000 2.693 620 F HA 0.550 5.076 4.527 -0.001 0.000 0.309 620 F C -1.125 174.653 175.800 -0.037 0.000 1.129 620 F CA -1.272 56.726 58.000 -0.003 0.000 0.948 620 F CB 1.338 40.325 39.000 -0.022 0.000 1.315 620 F HN 0.249 nan 8.300 nan 0.000 0.447 621 K N 2.128 122.614 120.400 0.143 0.000 2.276 621 K HA 0.740 5.060 4.320 -0.001 0.000 0.285 621 K C -0.748 175.900 176.600 0.079 0.000 1.062 621 K CA -0.333 55.978 56.287 0.040 0.000 0.918 621 K CB 0.876 33.429 32.500 0.089 0.000 1.055 621 K HN 0.944 nan 8.250 nan 0.000 0.477 622 A N 4.716 127.498 122.820 -0.064 0.000 2.301 622 A HA 0.415 4.734 4.320 -0.001 0.000 0.312 622 A C -0.703 177.004 177.584 0.204 0.000 1.182 622 A CA -0.745 51.310 52.037 0.030 0.000 0.826 622 A CB 0.727 19.689 19.000 -0.064 0.000 1.134 622 A HN 0.881 nan 8.150 nan 0.000 0.501 623 R N 2.302 123.031 120.500 0.382 0.000 2.360 623 R HA 0.592 4.931 4.340 -0.001 0.000 0.318 623 R C -1.759 174.789 176.300 0.414 0.000 0.950 623 R CA -0.223 56.092 56.100 0.358 0.000 0.837 623 R CB 1.163 31.658 30.300 0.325 0.000 1.165 623 R HN 0.498 nan 8.270 nan 0.000 0.458 624 V N 6.078 126.182 119.914 0.317 0.000 2.604 624 V HA 0.489 4.609 4.120 -0.001 0.000 0.305 624 V C -2.226 173.750 176.094 -0.196 0.000 1.043 624 V CA -2.441 59.941 62.300 0.137 0.000 0.888 624 V CB 1.834 33.709 31.823 0.086 0.000 0.995 624 V HN 0.777 nan 8.190 nan 0.000 0.429 625 P HA 0.258 nan 4.420 nan 0.000 0.271 625 P C -2.595 174.195 177.300 -0.850 0.000 1.233 625 P CA -1.079 61.104 63.100 -1.528 0.000 0.789 625 P CB -0.098 30.907 31.700 -1.158 0.000 0.951 629 L N -0.277 121.043 121.223 0.161 0.000 2.388 629 L HA 0.851 5.190 4.340 -0.001 0.000 0.264 629 L C -0.112 176.841 176.870 0.137 0.000 0.998 629 L CA -1.057 53.907 54.840 0.207 0.000 0.817 629 L CB 2.400 44.591 42.059 0.220 0.000 1.338 629 L HN 0.999 nan 8.230 nan 0.000 0.414 630 A N 0.805 123.746 122.820 0.201 0.000 2.427 630 A HA 0.790 5.110 4.320 -0.001 0.000 0.298 630 A C -0.760 176.962 177.584 0.231 0.000 1.036 630 A CA -0.441 51.700 52.037 0.174 0.000 0.701 630 A CB 1.680 20.840 19.000 0.267 0.000 1.250 630 A HN 0.563 nan 8.150 nan 0.000 0.412 631 T N 2.179 116.764 114.554 0.052 0.000 2.829 631 T HA 0.648 4.997 4.350 -0.001 0.000 0.282 631 T C -1.038 173.563 174.700 -0.164 0.000 0.990 631 T CA 0.242 62.410 62.100 0.112 0.000 1.028 631 T CB 0.356 69.281 68.868 0.096 0.000 0.951 631 T HN 0.441 nan 8.240 nan 0.000 0.460 632 Y N 0.326 120.684 120.300 0.097 0.000 2.605 632 Y HA 0.664 5.214 4.550 -0.001 0.000 0.343 632 Y C -0.348 175.460 175.900 -0.153 0.000 1.036 632 Y CA -1.140 56.937 58.100 -0.038 0.000 1.065 632 Y CB 1.760 40.219 38.460 -0.002 0.000 1.288 632 Y HN 0.313 nan 8.280 nan 0.000 0.481 633 V N 3.119 122.987 119.914 -0.077 0.000 2.588 633 V HA 0.447 4.566 4.120 -0.001 0.000 0.304 633 V C -0.800 175.240 176.094 -0.090 0.000 1.042 633 V CA -0.961 61.247 62.300 -0.153 0.000 0.877 633 V CB 1.839 33.508 31.823 -0.258 0.000 0.996 633 V HN 0.503 nan 8.190 nan 0.000 0.425 634 L N 3.898 125.100 121.223 -0.036 0.000 2.287 634 L HA 0.673 5.012 4.340 -0.001 0.000 0.287 634 L C -0.102 176.789 176.870 0.035 0.000 1.022 634 L CA -0.116 54.713 54.840 -0.018 0.000 0.814 634 L CB 1.848 43.907 42.059 -0.001 0.000 1.217 634 L HN 0.621 nan 8.230 nan 0.000 0.420 635 T N 3.744 118.320 114.554 0.037 0.000 2.841 635 T HA 0.482 4.832 4.350 -0.001 0.000 0.283 635 T C -0.269 174.480 174.700 0.082 0.000 1.000 635 T CA -0.383 61.753 62.100 0.060 0.000 0.977 635 T CB 2.375 71.269 68.868 0.044 0.000 0.979 635 T HN 0.375 nan 8.240 nan 0.000 0.446 636 I N 2.907 123.534 120.570 0.094 0.000 2.612 636 I HA 0.598 4.767 4.170 -0.001 0.000 0.295 636 I C 0.124 176.305 176.117 0.107 0.000 1.011 636 I CA 0.013 61.383 61.300 0.118 0.000 1.326 636 I CB 0.893 38.965 38.000 0.120 0.000 1.427 636 I HN 0.831 nan 8.210 nan 0.000 0.537 637 S N 2.327 118.108 115.700 0.135 0.000 2.661 637 S HA 0.335 4.805 4.470 -0.001 0.000 0.285 637 S C -0.053 174.587 174.600 0.067 0.000 1.138 637 S CA -0.339 57.906 58.200 0.075 0.000 0.855 637 S CB 1.563 64.788 63.200 0.041 0.000 1.136 637 S HN 0.742 nan 8.310 nan 0.000 0.484 638 D N 0.738 121.121 120.400 -0.030 0.000 2.234 638 D HA 0.089 4.729 4.640 -0.001 0.000 0.205 638 D C 0.971 177.040 176.300 -0.386 0.000 0.962 638 D CA 1.032 54.985 54.000 -0.079 0.000 0.855 638 D CB -0.098 40.660 40.800 -0.070 0.000 0.951 638 D HN 0.657 nan 8.370 nan 0.000 0.500 639 S N -1.640 113.731 115.700 -0.549 0.000 2.740 639 S HA 0.416 4.886 4.470 -0.001 0.000 0.300 639 S C -0.594 173.502 174.600 -0.840 0.000 1.147 639 S CA -1.296 56.296 58.200 -1.014 0.000 0.871 639 S CB 1.290 64.180 63.200 -0.515 0.000 1.173 639 S HN -0.018 nan 8.310 nan 0.000 0.510 640 K N 2.538 122.520 120.400 -0.695 0.000 2.437 640 K HA 0.155 4.474 4.320 -0.001 0.000 0.277 640 K C -2.103 174.507 176.600 0.016 0.000 1.073 640 K CA -0.641 55.620 56.287 -0.044 0.000 1.105 640 K CB -0.391 32.141 32.500 0.055 0.000 0.881 640 K HN 0.465 nan 8.250 nan 0.000 0.475 641 P HA -0.023 nan 4.420 nan 0.000 0.274 641 P C 0.295 177.609 177.300 0.023 0.000 1.231 641 P CA -0.135 63.002 63.100 0.062 0.000 0.790 641 P CB 0.993 32.755 31.700 0.104 0.000 0.951 642 E N 1.291 121.458 120.200 -0.055 0.000 2.118 642 E HA -0.221 4.128 4.350 -0.001 0.000 0.195 642 E C 0.717 177.129 176.600 -0.314 0.000 0.992 642 E CA 1.115 57.389 56.400 -0.209 0.000 0.804 642 E CB -0.076 29.422 29.700 -0.336 0.000 0.741 642 E HN 0.486 nan 8.360 nan 0.000 0.458 643 H N -0.577 118.503 119.070 0.017 0.000 2.519 643 H HA 0.210 4.765 4.556 -0.001 0.000 0.289 643 H C -0.367 174.958 175.328 -0.005 0.000 1.040 643 H CA 0.287 56.340 56.048 0.009 0.000 1.165 643 H CB 0.627 30.393 29.762 0.006 0.000 1.462 643 H HN -0.041 nan 8.280 nan 0.000 0.555 644 T N 1.375 115.953 114.554 0.041 0.000 2.812 644 T HA 0.320 4.670 4.350 -0.001 0.000 0.282 644 T C 0.278 174.871 174.700 -0.179 0.000 0.990 644 T CA -0.727 61.332 62.100 -0.068 0.000 0.960 644 T CB 2.189 71.005 68.868 -0.087 0.000 0.948 644 T HN 0.261 nan 8.240 nan 0.000 0.438 645 S N 2.257 117.812 115.700 -0.243 0.000 2.718 645 S HA 0.791 5.260 4.470 -0.001 0.000 0.300 645 S C -1.412 172.887 174.600 -0.500 0.000 1.117 645 S CA -0.816 57.266 58.200 -0.197 0.000 1.002 645 S CB 0.869 64.051 63.200 -0.031 0.000 1.092 645 S HN 0.569 nan 8.310 nan 0.000 0.542 646 Y N 0.021 120.331 120.300 0.018 0.000 2.376 646 Y HA 0.658 5.207 4.550 -0.001 0.000 0.340 646 Y C 0.576 176.529 175.900 0.088 0.000 0.965 646 Y CA -0.813 57.285 58.100 -0.003 0.000 1.078 646 Y CB 1.624 39.944 38.460 -0.233 0.000 1.193 646 Y HN 1.034 nan 8.280 nan 0.000 0.452 647 A N 1.996 125.008 122.820 0.319 0.000 2.407 647 A HA 0.500 4.820 4.320 -0.001 0.000 0.248 647 A C 0.265 178.053 177.584 0.340 0.000 1.082 647 A CA -0.303 51.909 52.037 0.292 0.000 0.785 647 A CB -0.068 19.101 19.000 0.282 0.000 1.020 647 A HN 0.766 nan 8.150 nan 0.000 0.489 648 S N 2.003 117.836 115.700 0.220 0.000 2.646 648 S HA 0.563 5.032 4.470 -0.001 0.000 0.276 648 S C -0.398 174.299 174.600 0.162 0.000 1.222 648 S CA -0.912 57.401 58.200 0.188 0.000 1.014 648 S CB 0.835 64.102 63.200 0.111 0.000 0.991 648 S HN 0.677 nan 8.310 nan 0.000 0.533 649 N N 0.688 119.464 118.700 0.126 0.000 2.295 649 N HA 0.478 5.218 4.740 -0.001 0.000 0.293 649 N C -1.965 173.487 175.510 -0.097 0.000 1.040 649 N CA -0.518 52.557 53.050 0.041 0.000 0.840 649 N CB 2.025 40.620 38.487 0.180 0.000 1.468 649 N HN 0.598 nan 8.380 nan 0.000 0.478 650 L N 2.776 123.894 121.223 -0.174 0.000 2.376 650 L HA 0.486 4.825 4.340 -0.001 0.000 0.275 650 L C -1.509 175.191 176.870 -0.283 0.000 0.987 650 L CA -0.595 54.113 54.840 -0.220 0.000 0.828 650 L CB 1.468 43.454 42.059 -0.122 0.000 1.249 650 L HN 0.407 nan 8.230 nan 0.000 0.409 651 L N 6.820 127.818 121.223 -0.374 0.000 2.262 651 L HA 0.468 4.807 4.340 -0.001 0.000 0.288 651 L C -1.212 175.611 176.870 -0.079 0.000 1.035 651 L CA -0.344 54.331 54.840 -0.274 0.000 0.820 651 L CB 1.122 42.989 42.059 -0.320 0.000 1.204 651 L HN 0.670 nan 8.230 nan 0.000 0.424 652 L N 7.203 128.401 121.223 -0.042 0.000 2.265 652 L HA 0.595 4.934 4.340 -0.001 0.000 0.289 652 L C -0.056 176.842 176.870 0.045 0.000 1.033 652 L CA -0.467 54.383 54.840 0.017 0.000 0.814 652 L CB 0.976 43.036 42.059 0.002 0.000 1.203 652 L HN 0.685 nan 8.230 nan 0.000 0.423 653 R N 2.085 122.625 120.500 0.066 0.000 3.033 653 R HA 0.371 4.711 4.340 -0.001 0.000 0.284 653 R C -1.799 174.530 176.300 0.049 0.000 0.997 653 R CA -1.065 55.069 56.100 0.055 0.000 0.851 653 R CB 0.996 31.329 30.300 0.055 0.000 1.297 653 R HN 0.145 nan 8.270 nan 0.000 0.518 654 K N 1.651 122.068 120.400 0.027 0.000 2.118 654 K HA 0.237 4.556 4.320 -0.001 0.000 0.264 654 K C -0.489 176.107 176.600 -0.007 0.000 1.000 654 K CA -0.493 55.802 56.287 0.012 0.000 0.929 654 K CB 0.512 33.017 32.500 0.008 0.000 1.021 654 K HN 0.788 nan 8.250 nan 0.000 0.463 655 N N 0.718 119.405 118.700 -0.022 0.000 2.708 655 N HA -0.118 4.621 4.740 -0.001 0.000 0.255 655 N C -2.387 173.081 175.510 -0.071 0.000 1.046 655 N CA 0.373 53.394 53.050 -0.049 0.000 0.715 655 N CB -1.480 36.979 38.487 -0.046 0.000 0.895 655 N HN 0.521 nan 8.380 nan 0.000 0.545 656 P HA 0.294 nan 4.420 nan 0.000 0.276 656 P C 0.044 177.195 177.300 -0.248 0.000 1.244 656 P CA 0.018 63.048 63.100 -0.118 0.000 0.801 656 P CB 1.113 32.772 31.700 -0.068 0.000 1.006 657 T N -2.830 111.584 114.554 -0.232 0.000 2.916 657 T HA 0.470 4.820 4.350 -0.001 0.000 0.292 657 T C 0.252 174.801 174.700 -0.252 0.000 1.055 657 T CA -0.753 61.212 62.100 -0.224 0.000 1.009 657 T CB 0.657 69.465 68.868 -0.100 0.000 1.118 657 T HN 0.491 nan 8.240 nan 0.000 0.497 658 S N 1.030 116.617 115.700 -0.189 0.000 2.559 658 S HA 0.305 4.774 4.470 -0.001 0.000 0.282 658 S C -0.110 174.607 174.600 0.195 0.000 1.336 658 S CA -0.659 57.527 58.200 -0.024 0.000 1.037 658 S CB -0.388 62.812 63.200 -0.000 0.000 0.853 658 S HN 0.706 nan 8.310 nan 0.000 0.523 659 L N 2.580 124.019 121.223 0.360 0.000 2.481 659 L HA 0.369 4.709 4.340 -0.001 0.000 0.255 659 L C -2.269 174.713 176.870 0.187 0.000 1.192 659 L CA -1.582 53.437 54.840 0.297 0.000 0.924 659 L CB 1.628 43.937 42.059 0.416 0.000 1.179 659 L HN 0.616 nan 8.230 nan 0.000 0.491 660 P HA 0.151 nan 4.420 nan 0.000 0.271 660 P C -0.077 177.221 177.300 -0.003 0.000 1.218 660 P CA -0.141 62.996 63.100 0.063 0.000 0.780 660 P CB 1.794 33.520 31.700 0.043 0.000 0.901 661 L N 1.227 122.460 121.223 0.016 0.000 3.289 661 L HA 0.276 4.615 4.340 -0.001 0.000 0.291 661 L C 1.473 178.409 176.870 0.110 0.000 1.279 661 L CA -0.067 54.757 54.840 -0.027 0.000 1.025 661 L CB 0.060 42.082 42.059 -0.062 0.000 1.413 661 L HN 0.728 nan 8.230 nan 0.000 0.593 662 G N 1.021 109.867 108.800 0.077 0.000 2.629 662 G HA2 -0.413 3.547 3.960 -0.001 0.000 0.313 662 G HA3 -0.413 3.547 3.960 -0.001 0.000 0.313 662 G C 0.615 175.576 174.900 0.102 0.000 1.217 662 G CA 0.719 45.882 45.100 0.104 0.000 0.994 662 G HN 0.430 nan 8.290 nan 0.000 0.549 663 Q N -0.480 119.371 119.800 0.086 0.000 2.436 663 Q HA 0.110 4.450 4.340 -0.001 0.000 0.209 663 Q C 0.827 176.666 176.000 -0.268 0.000 0.965 663 Q CA 0.295 56.020 55.803 -0.130 0.000 0.910 663 Q CB 0.189 28.738 28.738 -0.315 0.000 0.980 663 Q HN 0.489 nan 8.270 nan 0.000 0.491 664 Y N 2.564 122.717 120.300 -0.245 0.000 2.802 664 Y HA -0.084 4.466 4.550 -0.001 0.000 0.333 664 Y C -1.601 174.177 175.900 -0.204 0.000 1.244 664 Y CA -1.510 56.442 58.100 -0.246 0.000 1.558 664 Y CB 0.580 39.047 38.460 0.011 0.000 1.233 664 Y HN 0.016 nan 8.280 nan 0.000 0.547 665 P HA -0.220 nan 4.420 nan 0.000 0.214 665 P C -0.416 176.719 177.300 -0.274 0.000 1.169 665 P CA 1.567 64.346 63.100 -0.535 0.000 0.908 665 P CB 0.175 31.309 31.700 -0.944 0.000 0.791 666 E N 0.282 120.321 120.200 -0.268 0.000 2.249 666 E HA 0.075 4.425 4.350 -0.001 0.000 0.280 666 E C -0.528 176.188 176.600 0.193 0.000 1.016 666 E CA -0.663 55.747 56.400 0.016 0.000 0.830 666 E CB 0.391 30.136 29.700 0.074 0.000 1.081 666 E HN 0.060 nan 8.360 nan 0.000 0.395 667 D N 2.619 123.101 120.400 0.137 0.000 2.345 667 D HA 0.079 4.719 4.640 -0.001 0.000 0.247 667 D C -0.140 176.243 176.300 0.138 0.000 1.108 667 D CA -0.215 53.877 54.000 0.153 0.000 0.894 667 D CB 1.444 42.318 40.800 0.124 0.000 1.203 667 D HN 0.150 nan 8.370 nan 0.000 0.430 668 V N 2.638 122.624 119.914 0.120 0.000 2.740 668 V HA -0.017 4.102 4.120 -0.001 0.000 0.303 668 V C 0.749 176.730 176.094 -0.189 0.000 1.054 668 V CA 0.251 62.525 62.300 -0.043 0.000 1.106 668 V CB 0.378 32.139 31.823 -0.104 0.000 0.957 668 V HN 0.346 nan 8.190 nan 0.000 0.486 669 K N 3.684 123.900 120.400 -0.308 0.000 2.156 669 K HA 0.714 5.033 4.320 -0.001 0.000 0.250 669 K C -1.249 175.040 176.600 -0.518 0.000 0.955 669 K CA -0.336 55.823 56.287 -0.213 0.000 0.855 669 K CB 1.595 34.059 32.500 -0.060 0.000 1.101 669 K HN 0.406 nan 8.250 nan 0.000 0.434 670 F N -0.432 119.529 119.950 0.019 0.000 2.631 670 F HA 0.765 5.291 4.527 -0.001 0.000 0.328 670 F C 0.527 176.329 175.800 0.004 0.000 1.067 670 F CA -0.620 57.383 58.000 0.004 0.000 0.969 670 F CB 2.587 41.589 39.000 0.004 0.000 1.332 670 F HN 0.631 nan 8.300 nan 0.000 0.490 671 G N 0.042 108.957 108.800 0.191 0.000 2.387 671 G HA2 0.348 4.307 3.960 -0.001 0.000 0.294 671 G HA3 0.348 4.307 3.960 -0.001 0.000 0.294 671 G C -2.278 172.671 174.900 0.081 0.000 1.509 671 G CA -0.959 44.205 45.100 0.107 0.000 0.806 671 G HN 0.373 nan 8.290 nan 0.000 0.546 672 D N 0.791 121.226 120.400 0.058 0.000 2.362 672 D HA 0.394 5.034 4.640 -0.001 0.000 0.242 672 D C -2.001 174.323 176.300 0.040 0.000 1.132 672 D CA -0.579 53.448 54.000 0.045 0.000 0.907 672 D CB 1.028 41.849 40.800 0.036 0.000 1.195 672 D HN 0.023 nan 8.370 nan 0.000 0.429 673 P HA 0.059 nan 4.420 nan 0.000 0.265 673 P C -0.350 176.971 177.300 0.036 0.000 1.187 673 P CA 0.439 63.561 63.100 0.036 0.000 0.766 673 P CB 0.441 32.164 31.700 0.038 0.000 0.820 674 R N 0.139 120.661 120.500 0.037 0.000 2.728 674 R HA 0.400 4.740 4.340 -0.001 0.000 0.274 674 R C -1.242 175.087 176.300 0.049 0.000 1.032 674 R CA -1.017 55.106 56.100 0.039 0.000 0.866 674 R CB 1.016 31.336 30.300 0.033 0.000 1.263 674 R HN 0.226 nan 8.270 nan 0.000 0.475 675 E N 1.872 122.103 120.200 0.052 0.000 2.383 675 E HA 0.308 4.657 4.350 -0.001 0.000 0.264 675 E C 0.006 176.649 176.600 0.071 0.000 1.050 675 E CA -0.222 56.219 56.400 0.069 0.000 0.896 675 E CB 1.051 30.780 29.700 0.048 0.000 0.982 675 E HN 0.463 nan 8.360 nan 0.000 0.424 676 I N -2.054 118.586 120.570 0.117 0.000 2.969 676 I HA 0.609 4.778 4.170 -0.001 0.000 0.307 676 I C -0.729 175.506 176.117 0.198 0.000 1.149 676 I CA -0.885 60.484 61.300 0.115 0.000 1.008 676 I CB 2.411 40.449 38.000 0.063 0.000 1.232 676 I HN 0.267 nan 8.210 nan 0.000 0.435 677 S N 4.251 120.039 115.700 0.146 0.000 2.538 677 S HA 0.841 5.311 4.470 -0.001 0.000 0.288 677 S C -1.127 173.568 174.600 0.157 0.000 1.108 677 S CA -0.547 57.748 58.200 0.158 0.000 0.971 677 S CB 1.257 64.496 63.200 0.065 0.000 1.041 677 S HN 0.633 nan 8.310 nan 0.000 0.483 678 L N 3.411 124.759 121.223 0.207 0.000 2.393 678 L HA 0.718 5.058 4.340 -0.001 0.000 0.260 678 L C -0.418 176.537 176.870 0.141 0.000 1.002 678 L CA -0.828 54.108 54.840 0.160 0.000 0.818 678 L CB 2.455 44.614 42.059 0.166 0.000 1.369 678 L HN 0.662 nan 8.230 nan 0.000 0.412 679 R N 1.369 121.931 120.500 0.104 0.000 2.515 679 R HA 0.646 4.985 4.340 -0.001 0.000 0.278 679 R C -2.130 174.214 176.300 0.074 0.000 1.107 679 R CA -0.465 55.688 56.100 0.087 0.000 0.945 679 R CB 2.324 32.669 30.300 0.074 0.000 1.219 679 R HN 0.404 nan 8.270 nan 0.000 0.434 680 V N 4.600 124.556 119.914 0.070 0.000 2.435 680 V HA 0.586 4.706 4.120 -0.001 0.000 0.290 680 V C 1.061 177.187 176.094 0.053 0.000 1.030 680 V CA 0.630 62.967 62.300 0.062 0.000 0.881 680 V CB 1.122 32.983 31.823 0.064 0.000 0.983 680 V HN 1.113 nan 8.190 nan 0.000 0.445 681 G N 5.062 113.891 108.800 0.049 0.000 2.582 681 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.288 681 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.288 681 G C 0.454 175.376 174.900 0.038 0.000 1.247 681 G CA 0.853 45.979 45.100 0.042 0.000 0.972 681 G HN 0.769 nan 8.290 nan 0.000 0.557 682 N N 1.499 120.218 118.700 0.032 0.000 2.251 682 N HA 0.367 5.106 4.740 -0.001 0.000 0.217 682 N C 1.275 176.800 175.510 0.024 0.000 1.124 682 N CA 0.085 53.150 53.050 0.026 0.000 0.843 682 N CB 0.368 38.868 38.487 0.021 0.000 1.024 682 N HN 0.760 nan 8.380 nan 0.000 0.501 683 G N 2.006 110.824 108.800 0.031 0.000 2.486 683 G HA2 0.131 4.091 3.960 -0.001 0.000 0.272 683 G HA3 0.131 4.091 3.960 -0.001 0.000 0.272 683 G C -2.251 172.666 174.900 0.028 0.000 1.426 683 G CA -0.572 44.545 45.100 0.029 0.000 1.058 683 G HN -0.045 nan 8.290 nan 0.000 0.531 684 P HA 0.217 nan 4.420 nan 0.000 0.274 684 P C -0.643 176.683 177.300 0.045 0.000 1.246 684 P CA 0.003 63.117 63.100 0.025 0.000 0.795 684 P CB 1.014 32.722 31.700 0.013 0.000 1.006 685 T N 2.234 116.818 114.554 0.050 0.000 2.758 685 T HA 0.458 4.808 4.350 -0.001 0.000 0.285 685 T C 0.034 174.769 174.700 0.059 0.000 0.981 685 T CA -0.364 61.783 62.100 0.079 0.000 0.965 685 T CB 0.051 68.986 68.868 0.112 0.000 0.927 685 T HN 0.179 nan 8.240 nan 0.000 0.448 686 L N 2.702 123.955 121.223 0.051 0.000 2.317 686 L HA 0.795 5.134 4.340 -0.001 0.000 0.281 686 L C 0.257 177.044 176.870 -0.139 0.000 1.024 686 L CA -1.144 53.637 54.840 -0.098 0.000 0.810 686 L CB 1.429 43.410 42.059 -0.128 0.000 1.240 686 L HN 0.618 nan 8.230 nan 0.000 0.427 687 A N 3.107 125.725 122.820 -0.337 0.000 2.330 687 A HA 0.862 5.181 4.320 -0.001 0.000 0.327 687 A C -1.154 176.152 177.584 -0.464 0.000 1.155 687 A CA -0.304 51.593 52.037 -0.233 0.000 0.803 687 A CB 0.702 19.572 19.000 -0.217 0.000 1.208 687 A HN 0.491 nan 8.150 nan 0.000 0.477 688 F N 0.779 120.710 119.950 -0.033 0.000 2.561 688 F HA 0.569 5.096 4.527 -0.001 0.000 0.321 688 F C 1.080 176.875 175.800 -0.008 0.000 1.065 688 F CA -0.373 57.622 58.000 -0.008 0.000 0.934 688 F CB 2.072 41.088 39.000 0.026 0.000 1.215 688 F HN 0.667 nan 8.300 nan 0.000 0.471 689 S N -0.190 115.620 115.700 0.183 0.000 2.634 689 S HA 0.142 4.611 4.470 -0.001 0.000 0.261 689 S C 0.883 175.563 174.600 0.133 0.000 1.271 689 S CA -0.177 58.096 58.200 0.123 0.000 0.985 689 S CB 0.644 63.912 63.200 0.113 0.000 0.968 689 S HN 0.823 nan 8.310 nan 0.000 0.568 690 E N -0.457 119.798 120.200 0.093 0.000 2.478 690 E HA -0.144 4.206 4.350 -0.001 0.000 0.198 690 E C 1.207 177.852 176.600 0.075 0.000 1.046 690 E CA 0.722 57.167 56.400 0.075 0.000 0.870 690 E CB -0.428 29.306 29.700 0.057 0.000 0.818 690 E HN 0.762 nan 8.360 nan 0.000 0.527 691 Q N 0.063 119.918 119.800 0.093 0.000 2.280 691 Q HA 0.184 4.523 4.340 -0.001 0.000 0.201 691 Q C 0.784 176.849 176.000 0.108 0.000 0.890 691 Q CA 0.302 56.157 55.803 0.086 0.000 0.947 691 Q CB 0.962 29.752 28.738 0.086 0.000 1.081 691 Q HN 0.495 nan 8.270 nan 0.000 0.502 692 G N 0.859 109.741 108.800 0.137 0.000 2.143 692 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.248 692 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.248 692 G C -0.190 174.911 174.900 0.335 0.000 0.991 692 G CA -0.059 45.134 45.100 0.156 0.000 0.689 692 G HN 0.262 nan 8.290 nan 0.000 0.522 693 L N -0.125 121.309 121.223 0.352 0.000 2.325 693 L HA 0.651 4.990 4.340 -0.001 0.000 0.278 693 L C 0.855 177.923 176.870 0.331 0.000 1.023 693 L CA -1.409 53.673 54.840 0.403 0.000 0.811 693 L CB 1.525 43.741 42.059 0.261 0.000 1.249 693 L HN 0.136 nan 8.230 nan 0.000 0.431 694 L N 3.075 124.480 121.223 0.303 0.000 2.559 694 L HA -0.077 4.263 4.340 -0.001 0.000 0.282 694 L C 0.925 177.618 176.870 -0.296 0.000 1.232 694 L CA 1.105 55.833 54.840 -0.187 0.000 0.885 694 L CB 0.131 42.155 42.059 -0.059 0.000 1.131 694 L HN 0.730 nan 8.230 nan 0.000 0.498 695 K N 1.406 121.505 120.400 -0.501 0.000 2.462 695 K HA 0.252 4.572 4.320 -0.001 0.000 0.201 695 K C -0.341 175.828 176.600 -0.718 0.000 1.268 695 K CA 0.536 56.350 56.287 -0.787 0.000 0.933 695 K CB 0.474 32.685 32.500 -0.482 0.000 1.162 695 K HN 0.810 nan 8.250 nan 0.000 0.527 696 S N -0.386 115.048 115.700 -0.443 0.000 2.567 696 S HA 0.518 4.988 4.470 -0.001 0.000 0.270 696 S C -1.013 173.468 174.600 -0.200 0.000 1.152 696 S CA -1.033 57.008 58.200 -0.267 0.000 0.835 696 S CB 1.329 64.437 63.200 -0.154 0.000 1.115 696 S HN 0.095 nan 8.310 nan 0.000 0.459 697 I N 1.229 121.736 120.570 -0.105 0.000 2.499 697 I HA 0.449 4.619 4.170 -0.001 0.000 0.288 697 I C -0.675 175.441 176.117 -0.002 0.000 1.048 697 I CA -0.358 60.904 61.300 -0.064 0.000 1.062 697 I CB 2.187 40.135 38.000 -0.086 0.000 1.238 697 I HN 0.715 nan 8.210 nan 0.000 0.426 698 Q N 5.967 125.784 119.800 0.030 0.000 2.381 698 Q HA 0.413 4.752 4.340 -0.001 0.000 0.263 698 Q C 0.250 176.233 176.000 -0.029 0.000 1.030 698 Q CA -0.495 55.295 55.803 -0.023 0.000 0.772 698 Q CB 1.633 30.342 28.738 -0.048 0.000 1.232 698 Q HN 0.770 nan 8.270 nan 0.000 0.476 699 L N 1.785 122.983 121.223 -0.042 0.000 2.017 699 L HA -0.084 4.255 4.340 -0.001 0.000 0.208 699 L C 1.281 178.135 176.870 -0.027 0.000 1.073 699 L CA 1.457 56.278 54.840 -0.031 0.000 0.745 699 L CB -0.442 41.595 42.059 -0.036 0.000 0.894 699 L HN 0.643 nan 8.230 nan 0.000 0.432 700 T N -5.680 108.850 114.554 -0.041 0.000 2.887 700 T HA 0.240 4.590 4.350 -0.001 0.000 0.292 700 T C 0.390 175.063 174.700 -0.046 0.000 1.087 700 T CA -0.820 61.261 62.100 -0.033 0.000 1.009 700 T CB 1.813 70.663 68.868 -0.031 0.000 1.203 700 T HN 0.025 nan 8.240 nan 0.000 0.518 701 Q N 0.095 119.878 119.800 -0.028 0.000 2.226 701 Q HA -0.114 4.226 4.340 -0.001 0.000 0.204 701 Q C 1.162 177.134 176.000 -0.047 0.000 0.975 701 Q CA 1.704 57.491 55.803 -0.027 0.000 0.866 701 Q CB -0.078 28.656 28.738 -0.006 0.000 0.915 701 Q HN 0.659 nan 8.270 nan 0.000 0.440 702 D N 0.715 121.086 120.400 -0.047 0.000 2.197 702 D HA -0.046 4.594 4.640 -0.001 0.000 0.212 702 D C 1.095 177.349 176.300 -0.077 0.000 0.963 702 D CA 0.701 54.671 54.000 -0.050 0.000 0.864 702 D CB -0.223 40.556 40.800 -0.035 0.000 1.009 702 D HN 0.146 nan 8.370 nan 0.000 0.479 703 S N 2.347 117.998 115.700 -0.082 0.000 2.563 703 S HA 0.091 4.560 4.470 -0.001 0.000 0.269 703 S C -2.187 172.313 174.600 -0.167 0.000 1.364 703 S CA -0.837 57.305 58.200 -0.097 0.000 1.010 703 S CB 0.425 63.576 63.200 -0.081 0.000 0.877 703 S HN -0.009 nan 8.310 nan 0.000 0.549 704 P HA 0.256 nan 4.420 nan 0.000 0.280 704 P C -0.891 176.269 177.300 -0.234 0.000 1.272 704 P CA -0.582 62.402 63.100 -0.193 0.000 0.819 704 P CB 0.413 32.071 31.700 -0.069 0.000 1.122 705 H N -0.134 118.929 119.070 -0.012 0.000 2.969 705 H HA 0.182 4.738 4.556 -0.001 0.000 0.269 705 H C -0.118 175.190 175.328 -0.035 0.000 1.223 705 H CA -0.285 55.745 56.048 -0.031 0.000 1.400 705 H CB -0.410 29.334 29.762 -0.030 0.000 1.500 705 H HN 0.058 nan 8.280 nan 0.000 0.486 706 V N 6.813 126.746 119.914 0.032 0.000 2.479 706 V HA 0.046 4.166 4.120 -0.001 0.000 0.281 706 V C -1.856 174.206 176.094 -0.054 0.000 1.031 706 V CA -1.411 60.886 62.300 -0.005 0.000 1.038 706 V CB 0.608 32.414 31.823 -0.027 0.000 0.981 706 V HN 0.512 nan 8.190 nan 0.000 0.478 707 P HA 0.170 nan 4.420 nan 0.000 0.265 707 P C -0.798 176.425 177.300 -0.128 0.000 1.222 707 P CA 0.293 63.314 63.100 -0.132 0.000 0.767 707 P CB 0.451 31.933 31.700 -0.362 0.000 0.801 708 V N 5.006 124.831 119.914 -0.148 0.000 2.555 708 V HA 0.207 4.326 4.120 -0.001 0.000 0.283 708 V C -0.442 175.483 176.094 -0.282 0.000 1.020 708 V CA -0.474 61.709 62.300 -0.195 0.000 0.883 708 V CB 0.869 32.540 31.823 -0.253 0.000 1.030 708 V HN 0.585 nan 8.190 nan 0.000 0.448 709 H N 4.358 123.271 119.070 -0.262 0.000 2.481 709 H HA 0.476 5.032 4.556 -0.001 0.000 0.333 709 H C -1.002 174.210 175.328 -0.194 0.000 1.066 709 H CA -0.406 55.531 56.048 -0.186 0.000 1.209 709 H CB 2.077 31.768 29.762 -0.117 0.000 1.445 709 H HN 0.469 nan 8.280 nan 0.000 0.488 710 F N 2.448 122.380 119.950 -0.029 0.000 2.394 710 F HA 0.279 4.806 4.527 -0.001 0.000 0.340 710 F C 0.465 176.183 175.800 -0.137 0.000 1.105 710 F CA -0.188 57.734 58.000 -0.129 0.000 1.124 710 F CB 1.218 40.151 39.000 -0.112 0.000 1.145 710 F HN 0.302 nan 8.300 nan 0.000 0.505 711 K N 3.941 124.337 120.400 -0.007 0.000 2.523 711 K HA 0.443 4.763 4.320 -0.001 0.000 0.257 711 K C -2.043 174.399 176.600 -0.264 0.000 0.932 711 K CA -0.601 55.655 56.287 -0.051 0.000 0.812 711 K CB 1.525 34.022 32.500 -0.005 0.000 1.326 711 K HN 0.448 nan 8.250 nan 0.000 0.433 712 F N 3.809 123.733 119.950 -0.044 0.000 2.458 712 F HA 0.502 5.028 4.527 -0.001 0.000 0.336 712 F C -0.419 175.359 175.800 -0.037 0.000 1.114 712 F CA -0.595 57.374 58.000 -0.050 0.000 0.987 712 F CB 1.281 40.231 39.000 -0.084 0.000 1.130 712 F HN 0.260 nan 8.300 nan 0.000 0.458 713 L N 2.584 123.870 121.223 0.104 0.000 2.277 713 L HA 0.652 4.991 4.340 -0.001 0.000 0.254 713 L C -1.100 175.776 176.870 0.010 0.000 1.044 713 L CA -1.012 53.835 54.840 0.011 0.000 0.842 713 L CB 2.232 44.233 42.059 -0.096 0.000 1.422 713 L HN 0.518 nan 8.230 nan 0.000 0.422 714 K N -0.622 119.741 120.400 -0.062 0.000 2.464 714 K HA 0.647 4.967 4.320 -0.001 0.000 0.253 714 K C -1.840 174.711 176.600 -0.081 0.000 0.933 714 K CA -0.783 55.500 56.287 -0.007 0.000 0.801 714 K CB 1.741 34.268 32.500 0.046 0.000 1.271 714 K HN 0.309 nan 8.250 nan 0.000 0.430 715 Y N 0.551 120.917 120.300 0.110 0.000 2.387 715 Y HA 0.532 5.082 4.550 -0.001 0.000 0.330 715 Y C 0.943 176.906 175.900 0.105 0.000 1.133 715 Y CA -0.141 58.036 58.100 0.129 0.000 1.152 715 Y CB 2.343 40.947 38.460 0.239 0.000 1.215 715 Y HN 0.927 nan 8.280 nan 0.000 0.466 716 G N 0.622 109.573 108.800 0.252 0.000 2.971 716 G HA2 0.631 4.591 3.960 -0.001 0.000 0.235 716 G HA3 0.631 4.591 3.960 -0.001 0.000 0.235 716 G C -1.452 173.529 174.900 0.134 0.000 1.351 716 G CA -0.713 44.478 45.100 0.151 0.000 1.039 716 G HN 0.431 nan 8.290 nan 0.000 0.563 717 V N -0.166 119.792 119.914 0.075 0.000 2.864 717 V HA 0.468 4.588 4.120 -0.001 0.000 0.314 717 V C -0.034 176.063 176.094 0.006 0.000 1.073 717 V CA -0.879 61.448 62.300 0.045 0.000 0.956 717 V CB 1.937 33.785 31.823 0.041 0.000 1.023 717 V HN 0.680 nan 8.190 nan 0.000 0.435 718 R N 1.324 121.819 120.500 -0.010 0.000 2.543 718 R HA 0.209 4.548 4.340 -0.001 0.000 0.277 718 R C 1.090 177.337 176.300 -0.089 0.000 1.074 718 R CA 0.390 56.468 56.100 -0.036 0.000 1.076 718 R CB 0.579 30.872 30.300 -0.012 0.000 0.993 718 R HN 0.901 nan 8.270 nan 0.000 0.459 719 S N 1.121 116.696 115.700 -0.208 0.000 2.548 719 S HA 0.054 4.523 4.470 -0.001 0.000 0.215 719 S C 0.291 174.578 174.600 -0.521 0.000 0.976 719 S CA -0.007 57.967 58.200 -0.376 0.000 0.908 719 S CB 0.100 62.994 63.200 -0.510 0.000 0.781 719 S HN 0.543 nan 8.310 nan 0.000 0.519 720 H N 0.355 119.428 119.070 0.006 0.000 2.806 720 H HA 0.608 5.164 4.556 -0.001 0.000 0.367 720 H C 0.919 176.247 175.328 -0.000 0.000 1.136 720 H CA -0.109 55.941 56.048 0.003 0.000 1.178 720 H CB 1.207 30.970 29.762 0.002 0.000 1.718 720 H HN 0.378 nan 8.280 nan 0.000 0.540 721 G N 2.449 111.321 108.800 0.120 0.000 2.553 721 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.242 721 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.242 721 G C -0.813 174.105 174.900 0.031 0.000 1.277 721 G CA -0.396 44.740 45.100 0.060 0.000 0.910 721 G HN 0.605 nan 8.290 nan 0.000 0.576 722 D N 1.371 121.781 120.400 0.017 0.000 2.424 722 D HA 0.515 5.154 4.640 -0.001 0.000 0.244 722 D C 1.031 177.332 176.300 0.001 0.000 1.134 722 D CA 0.423 54.425 54.000 0.003 0.000 0.881 722 D CB 0.729 41.526 40.800 -0.005 0.000 1.191 722 D HN 0.483 nan 8.370 nan 0.000 0.445 723 R N 0.535 121.035 120.500 0.000 0.000 2.598 723 R HA 0.409 4.749 4.340 -0.001 0.000 0.279 723 R C 0.034 176.340 176.300 0.011 0.000 0.984 723 R CA -0.595 55.509 56.100 0.006 0.000 0.999 723 R CB 1.074 31.380 30.300 0.010 0.000 1.114 723 R HN 0.215 nan 8.270 nan 0.000 0.493 724 S N 0.051 115.768 115.700 0.029 0.000 2.572 724 S HA 0.580 5.050 4.470 -0.001 0.000 0.279 724 S C 0.292 174.920 174.600 0.048 0.000 1.341 724 S CA 0.147 58.378 58.200 0.052 0.000 1.043 724 S CB 1.148 64.411 63.200 0.105 0.000 0.887 724 S HN 0.722 nan 8.310 nan 0.000 0.516 725 G N -0.100 108.729 108.800 0.047 0.000 2.911 725 G HA2 0.587 4.546 3.960 -0.001 0.000 0.299 725 G HA3 0.587 4.546 3.960 -0.001 0.000 0.299 725 G C 0.551 175.475 174.900 0.040 0.000 1.283 725 G CA -0.123 45.009 45.100 0.053 0.000 0.805 725 G HN 0.701 nan 8.290 nan 0.000 0.548 726 A N -1.285 121.542 122.820 0.012 0.000 1.978 726 A HA 0.064 4.383 4.320 -0.001 0.000 0.220 726 A C 1.899 179.387 177.584 -0.161 0.000 1.170 726 A CA 2.074 54.052 52.037 -0.098 0.000 0.636 726 A CB -0.624 18.245 19.000 -0.219 0.000 0.810 726 A HN 0.599 nan 8.150 nan 0.000 0.448 727 Y N -0.761 119.476 120.300 -0.104 0.000 2.353 727 Y HA 0.351 4.900 4.550 -0.001 0.000 0.294 727 Y C 0.878 176.663 175.900 -0.191 0.000 1.135 727 Y CA -0.122 57.842 58.100 -0.227 0.000 1.176 727 Y CB -0.269 37.690 38.460 -0.834 0.000 1.124 727 Y HN 0.021 nan 8.280 nan 0.000 0.537 728 L N 0.585 121.770 121.223 -0.063 0.000 2.350 728 L HA 0.211 4.551 4.340 -0.001 0.000 0.275 728 L C -0.872 176.059 176.870 0.102 0.000 1.099 728 L CA -0.272 54.545 54.840 -0.038 0.000 0.808 728 L CB 1.034 43.020 42.059 -0.123 0.000 1.149 728 L HN 0.114 nan 8.230 nan 0.000 0.442 729 F N 4.878 124.780 119.950 -0.079 0.000 2.347 729 F HA 0.473 5.000 4.527 -0.001 0.000 0.366 729 F C -0.629 175.104 175.800 -0.112 0.000 1.107 729 F CA -0.797 57.118 58.000 -0.142 0.000 1.058 729 F CB 0.663 39.512 39.000 -0.251 0.000 1.236 729 F HN 0.325 nan 8.300 nan 0.000 0.456 730 L N 8.876 130.029 121.223 -0.117 0.000 2.556 730 L HA 0.329 4.668 4.340 -0.001 0.000 0.243 730 L C -2.283 174.437 176.870 -0.249 0.000 1.331 730 L CA -1.889 52.819 54.840 -0.220 0.000 0.927 730 L CB 0.824 42.842 42.059 -0.068 0.000 1.219 730 L HN 0.410 nan 8.230 nan 0.000 0.490 731 P HA -0.007 nan 4.420 nan 0.000 0.269 731 P C -0.496 176.746 177.300 -0.097 0.000 1.215 731 P CA -0.158 62.783 63.100 -0.265 0.000 0.780 731 P CB 0.604 32.012 31.700 -0.487 0.000 0.898 732 N N 1.278 119.989 118.700 0.018 0.000 3.209 732 N HA 0.268 5.007 4.740 -0.001 0.000 0.309 732 N C 0.657 176.192 175.510 0.041 0.000 1.384 732 N CA -0.148 52.914 53.050 0.020 0.000 1.173 732 N CB -0.650 37.852 38.487 0.026 0.000 1.460 732 N HN 0.744 nan 8.380 nan 0.000 0.534 733 G N 0.863 109.684 108.800 0.034 0.000 2.655 733 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.680 733 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.680 733 G C -3.071 171.904 174.900 0.125 0.000 1.302 733 G CA -1.155 43.977 45.100 0.053 0.000 0.872 733 G HN 0.340 nan 8.290 nan 0.000 0.540 734 P HA 0.444 nan 4.420 nan 0.000 0.268 734 P C 0.546 177.807 177.300 -0.065 0.000 1.208 734 P CA 0.702 63.861 63.100 0.098 0.000 0.777 734 P CB 0.426 32.151 31.700 0.043 0.000 0.875 735 A N 2.192 124.778 122.820 -0.389 0.000 2.483 735 A HA 0.333 4.653 4.320 -0.001 0.000 0.238 735 A C 0.200 177.629 177.584 -0.259 0.000 1.070 735 A CA 0.405 52.051 52.037 -0.652 0.000 0.770 735 A CB -0.262 18.094 19.000 -1.072 0.000 1.008 735 A HN 0.471 nan 8.150 nan 0.000 0.497 736 S N 2.673 118.263 115.700 -0.183 0.000 2.475 736 S HA 0.554 5.023 4.470 -0.001 0.000 0.298 736 S C -2.664 171.899 174.600 -0.062 0.000 1.119 736 S CA -0.975 57.175 58.200 -0.085 0.000 1.085 736 S CB 1.316 64.490 63.200 -0.043 0.000 1.028 736 S HN 0.559 nan 8.310 nan 0.000 0.489 737 P HA 0.075 nan 4.420 nan 0.000 0.265 737 P C -0.808 176.500 177.300 0.014 0.000 1.193 737 P CA -0.222 62.875 63.100 -0.004 0.000 0.765 737 P CB 0.332 32.033 31.700 0.002 0.000 0.823 738 V N 4.381 124.318 119.914 0.040 0.000 2.555 738 V HA 0.015 4.134 4.120 -0.001 0.000 0.286 738 V C 0.890 177.002 176.094 0.030 0.000 1.044 738 V CA -0.026 62.298 62.300 0.039 0.000 1.026 738 V CB 0.113 31.971 31.823 0.057 0.000 0.981 738 V HN 0.478 nan 8.190 nan 0.000 0.480 739 E N 5.247 125.459 120.200 0.020 0.000 2.220 739 E HA 0.105 4.454 4.350 -0.001 0.000 0.272 739 E C 0.620 177.227 176.600 0.012 0.000 1.099 739 E CA 0.092 56.502 56.400 0.017 0.000 0.907 739 E CB 0.976 30.685 29.700 0.016 0.000 1.022 739 E HN 0.544 nan 8.360 nan 0.000 0.428 740 L N 1.839 123.071 121.223 0.014 0.000 2.375 740 L HA 0.088 4.428 4.340 -0.001 0.000 0.215 740 L C 1.479 178.352 176.870 0.006 0.000 1.108 740 L CA 0.528 55.370 54.840 0.005 0.000 0.830 740 L CB -0.466 41.603 42.059 0.016 0.000 0.959 740 L HN 0.752 nan 8.230 nan 0.000 0.457 741 G N 0.885 109.693 108.800 0.013 0.000 2.550 741 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.277 741 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.277 741 G C 0.029 174.939 174.900 0.018 0.000 1.190 741 G CA -0.022 45.087 45.100 0.014 0.000 0.971 741 G HN 0.404 nan 8.290 nan 0.000 0.559 742 Q N 1.704 121.514 119.800 0.017 0.000 2.788 742 Q HA 0.367 4.706 4.340 -0.001 0.000 0.261 742 Q C -2.217 173.799 176.000 0.027 0.000 1.029 742 Q CA -1.440 54.377 55.803 0.023 0.000 0.848 742 Q CB 1.836 30.587 28.738 0.021 0.000 1.185 742 Q HN 0.618 nan 8.270 nan 0.000 0.482 743 P HA 0.047 nan 4.420 nan 0.000 0.272 743 P C -0.217 177.127 177.300 0.072 0.000 1.223 743 P CA -0.215 62.908 63.100 0.039 0.000 0.784 743 P CB 1.137 32.844 31.700 0.011 0.000 0.923 744 V N 2.559 122.552 119.914 0.131 0.000 2.530 744 V HA 0.128 4.247 4.120 -0.001 0.000 0.282 744 V C 0.578 176.810 176.094 0.229 0.000 1.048 744 V CA -0.261 62.143 62.300 0.174 0.000 0.997 744 V CB 1.268 33.229 31.823 0.230 0.000 0.987 744 V HN 0.279 nan 8.190 nan 0.000 0.477 745 V N 6.248 126.241 119.914 0.132 0.000 2.495 745 V HA 0.479 4.598 4.120 -0.001 0.000 0.298 745 V C -0.435 175.669 176.094 0.016 0.000 1.031 745 V CA -0.652 61.706 62.300 0.096 0.000 0.871 745 V CB 1.713 33.549 31.823 0.022 0.000 0.988 745 V HN 0.663 nan 8.190 nan 0.000 0.432 746 L N 6.501 127.732 121.223 0.014 0.000 2.305 746 L HA 0.723 5.063 4.340 -0.001 0.000 0.284 746 L C -0.630 176.115 176.870 -0.209 0.000 1.013 746 L CA -0.010 54.711 54.840 -0.199 0.000 0.819 746 L CB 1.741 43.590 42.059 -0.350 0.000 1.227 746 L HN 0.445 nan 8.230 nan 0.000 0.417 747 V N 4.102 123.879 119.914 -0.227 0.000 2.357 747 V HA 0.538 4.658 4.120 -0.001 0.000 0.284 747 V C -0.029 175.980 176.094 -0.142 0.000 1.018 747 V CA -0.404 61.784 62.300 -0.186 0.000 0.841 747 V CB 1.539 33.268 31.823 -0.156 0.000 0.991 747 V HN 0.834 nan 8.190 nan 0.000 0.437 748 T N 5.369 119.867 114.554 -0.093 0.000 2.770 748 T HA 0.414 4.763 4.350 -0.001 0.000 0.283 748 T C -0.362 174.355 174.700 0.029 0.000 0.988 748 T CA -0.540 61.562 62.100 0.003 0.000 0.957 748 T CB 1.083 69.989 68.868 0.063 0.000 0.930 748 T HN 0.648 nan 8.240 nan 0.000 0.443 749 K N 2.522 122.957 120.400 0.058 0.000 2.394 749 K HA 0.680 4.999 4.320 -0.001 0.000 0.260 749 K C -0.284 176.372 176.600 0.093 0.000 0.967 749 K CA -0.566 55.759 56.287 0.063 0.000 0.855 749 K CB 0.922 33.452 32.500 0.050 0.000 1.101 749 K HN 0.782 nan 8.250 nan 0.000 0.433 750 G N 2.211 111.064 108.800 0.088 0.000 2.658 750 G HA2 0.208 4.167 3.960 -0.001 0.000 0.292 750 G HA3 0.208 4.167 3.960 -0.001 0.000 0.292 750 G C -0.068 174.876 174.900 0.074 0.000 1.320 750 G CA -0.580 44.575 45.100 0.093 0.000 0.933 750 G HN 0.476 nan 8.290 nan 0.000 0.476 751 K N -0.233 120.207 120.400 0.068 0.000 2.097 751 K HA 0.083 4.402 4.320 -0.001 0.000 0.205 751 K C 2.115 178.750 176.600 0.059 0.000 1.050 751 K CA 0.893 57.216 56.287 0.060 0.000 0.938 751 K CB -0.170 32.362 32.500 0.054 0.000 0.718 751 K HN 0.427 nan 8.250 nan 0.000 0.442 752 L N -0.515 120.745 121.223 0.062 0.000 2.357 752 L HA 0.180 4.520 4.340 -0.001 0.000 0.211 752 L C 0.804 177.707 176.870 0.057 0.000 1.075 752 L CA 0.106 54.982 54.840 0.059 0.000 0.830 752 L CB 0.336 42.433 42.059 0.063 0.000 0.996 752 L HN 0.115 nan 8.230 nan 0.000 0.467 753 E N -0.275 119.963 120.200 0.064 0.000 2.304 753 E HA 0.425 4.774 4.350 -0.001 0.000 0.277 753 E C -1.490 175.152 176.600 0.070 0.000 0.898 753 E CA -0.229 56.208 56.400 0.062 0.000 0.764 753 E CB 2.225 31.960 29.700 0.059 0.000 1.216 753 E HN -0.122 nan 8.360 nan 0.000 0.419 754 S N 1.135 116.872 115.700 0.062 0.000 2.634 754 S HA 0.796 5.266 4.470 -0.001 0.000 0.296 754 S C -1.355 173.265 174.600 0.032 0.000 1.104 754 S CA -0.643 57.587 58.200 0.051 0.000 0.920 754 S CB 1.801 65.032 63.200 0.051 0.000 1.111 754 S HN 0.637 nan 8.310 nan 0.000 0.493 755 S N -0.227 115.466 115.700 -0.011 0.000 2.567 755 S HA 0.715 5.184 4.470 -0.001 0.000 0.270 755 S C -1.844 172.657 174.600 -0.164 0.000 1.152 755 S CA -0.737 57.430 58.200 -0.054 0.000 0.835 755 S CB 1.029 64.220 63.200 -0.014 0.000 1.115 755 S HN 0.475 nan 8.310 nan 0.000 0.459 756 V N 1.911 121.672 119.914 -0.254 0.000 2.443 756 V HA 0.716 4.836 4.120 -0.001 0.000 0.293 756 V C -0.545 175.414 176.094 -0.225 0.000 1.021 756 V CA -0.376 61.701 62.300 -0.372 0.000 0.848 756 V CB 1.514 32.798 31.823 -0.898 0.000 0.998 756 V HN 0.984 nan 8.190 nan 0.000 0.424 757 S N 3.339 118.962 115.700 -0.130 0.000 2.513 757 S HA 0.794 5.264 4.470 -0.001 0.000 0.299 757 S C -0.786 173.747 174.600 -0.112 0.000 1.087 757 S CA -0.641 57.491 58.200 -0.114 0.000 1.012 757 S CB 2.200 65.425 63.200 0.042 0.000 1.044 757 S HN 0.652 nan 8.310 nan 0.000 0.485 758 V N 1.989 121.711 119.914 -0.320 0.000 2.760 758 V HA 0.812 4.932 4.120 -0.001 0.000 0.309 758 V C -0.042 175.671 176.094 -0.635 0.000 1.077 758 V CA -0.440 61.678 62.300 -0.305 0.000 0.910 758 V CB 1.788 33.567 31.823 -0.074 0.000 1.008 758 V HN 0.996 nan 8.190 nan 0.000 0.424 759 G N 7.010 115.460 108.800 -0.583 0.000 2.663 759 G HA2 0.531 4.490 3.960 -0.001 0.000 0.320 759 G HA3 0.531 4.490 3.960 -0.001 0.000 0.320 759 G C -0.547 174.222 174.900 -0.219 0.000 0.937 759 G CA -0.327 44.489 45.100 -0.474 0.000 1.332 759 G HN 0.700 nan 8.290 nan 0.000 0.461 760 L N 2.631 123.688 121.223 -0.277 0.000 2.387 760 L HA 0.407 4.747 4.340 -0.001 0.000 0.266 760 L C -2.073 174.685 176.870 -0.187 0.000 1.059 760 L CA -2.365 52.341 54.840 -0.224 0.000 0.801 760 L CB 1.882 43.736 42.059 -0.343 0.000 1.223 760 L HN 0.190 nan 8.230 nan 0.000 0.456 761 P HA 0.093 nan 4.420 nan 0.000 0.266 761 P C 0.006 177.247 177.300 -0.099 0.000 1.215 761 P CA 0.446 63.503 63.100 -0.072 0.000 0.763 761 P CB 0.995 32.675 31.700 -0.033 0.000 0.806 762 S N -0.031 115.633 115.700 -0.059 0.000 2.691 762 S HA -0.109 4.360 4.470 -0.001 0.000 0.262 762 S C 0.188 174.713 174.600 -0.125 0.000 1.284 762 S CA 1.222 59.387 58.200 -0.059 0.000 1.372 762 S CB -1.425 61.755 63.200 -0.033 0.000 1.693 762 S HN 0.385 nan 8.310 nan 0.000 0.647 763 V N 1.278 121.054 119.914 -0.229 0.000 2.655 763 V HA 0.448 4.567 4.120 -0.001 0.000 0.301 763 V C -0.312 175.564 176.094 -0.363 0.000 1.082 763 V CA -0.782 61.333 62.300 -0.309 0.000 0.899 763 V CB 2.119 33.616 31.823 -0.543 0.000 1.014 763 V HN 0.088 nan 8.190 nan 0.000 0.429 764 V N 4.603 124.315 119.914 -0.337 0.000 2.334 764 V HA 0.296 4.415 4.120 -0.001 0.000 0.267 764 V C 0.216 176.100 176.094 -0.349 0.000 1.040 764 V CA -0.344 61.646 62.300 -0.518 0.000 0.866 764 V CB 0.599 32.028 31.823 -0.656 0.000 1.019 764 V HN 0.890 nan 8.190 nan 0.000 0.468 765 H N 5.700 124.513 119.070 -0.428 0.000 2.562 765 H HA 0.504 5.059 4.556 -0.001 0.000 0.314 765 H C -0.726 174.484 175.328 -0.197 0.000 1.079 765 H CA -0.538 55.363 56.048 -0.244 0.000 1.349 765 H CB 1.126 30.778 29.762 -0.183 0.000 1.432 765 H HN 0.678 nan 8.280 nan 0.000 0.479 766 Q N 3.373 122.871 119.800 -0.503 0.000 2.323 766 Q HA 0.303 4.642 4.340 -0.001 0.000 0.271 766 Q C -1.124 174.672 176.000 -0.340 0.000 1.048 766 Q CA -0.923 54.667 55.803 -0.355 0.000 0.792 766 Q CB 2.725 31.360 28.738 -0.172 0.000 1.280 766 Q HN 0.534 nan 8.270 nan 0.000 0.441 767 T N 3.054 117.495 114.554 -0.189 0.000 2.791 767 T HA 0.582 4.931 4.350 -0.001 0.000 0.288 767 T C -0.193 174.532 174.700 0.042 0.000 0.999 767 T CA -0.345 61.759 62.100 0.006 0.000 0.952 767 T CB 0.345 69.386 68.868 0.287 0.000 0.938 767 T HN 0.370 nan 8.240 nan 0.000 0.444 771 G N -0.358 108.470 108.800 0.048 0.000 2.284 771 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.201 771 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.201 771 G C 0.303 175.225 174.900 0.038 0.000 0.998 771 G CA -0.276 44.849 45.100 0.043 0.000 0.651 771 G HN 0.543 nan 8.290 nan 0.000 0.489 772 G N -0.029 108.794 108.800 0.038 0.000 3.252 772 G HA2 0.789 4.748 3.960 -0.001 0.000 0.181 772 G HA3 0.789 4.748 3.960 -0.001 0.000 0.181 772 G C 0.397 175.319 174.900 0.037 0.000 1.187 772 G CA 0.469 45.589 45.100 0.032 0.000 0.886 772 G HN 1.522 nan 8.290 nan 0.000 0.615 773 A N 1.531 124.370 122.820 0.033 0.000 2.540 773 A HA 0.523 4.842 4.320 -0.001 0.000 0.239 773 A C -1.639 175.982 177.584 0.061 0.000 1.061 773 A CA -0.472 51.589 52.037 0.039 0.000 0.758 773 A CB -0.420 18.601 19.000 0.035 0.000 0.991 773 A HN 0.413 nan 8.150 nan 0.000 0.502 774 P HA 0.137 nan 4.420 nan 0.000 0.272 774 P C -0.515 176.855 177.300 0.117 0.000 1.230 774 P CA -0.180 62.982 63.100 0.103 0.000 0.788 774 P CB 0.746 32.526 31.700 0.133 0.000 0.949 775 E N 1.140 121.406 120.200 0.111 0.000 2.179 775 E HA 0.422 4.771 4.350 -0.001 0.000 0.275 775 E C -0.864 175.812 176.600 0.128 0.000 0.945 775 E CA -0.758 55.713 56.400 0.117 0.000 0.792 775 E CB 0.713 30.459 29.700 0.076 0.000 1.125 775 E HN 0.225 nan 8.360 nan 0.000 0.397 776 I N 3.892 124.573 120.570 0.185 0.000 2.474 776 I HA 0.436 4.605 4.170 -0.001 0.000 0.294 776 I C -0.106 176.138 176.117 0.211 0.000 1.005 776 I CA -0.643 60.747 61.300 0.149 0.000 1.113 776 I CB 1.404 39.507 38.000 0.172 0.000 1.289 776 I HN 0.575 nan 8.210 nan 0.000 0.436 777 R N 4.426 124.975 120.500 0.082 0.000 2.575 777 R HA 0.488 4.828 4.340 -0.001 0.000 0.293 777 R C -1.011 175.342 176.300 0.088 0.000 0.983 777 R CA -0.851 55.312 56.100 0.105 0.000 0.887 777 R CB 2.161 32.479 30.300 0.029 0.000 1.184 777 R HN 0.464 nan 8.270 nan 0.000 0.445 778 N N 2.615 121.428 118.700 0.189 0.000 2.442 778 N HA 0.199 4.938 4.740 -0.001 0.000 0.274 778 N C -1.305 174.227 175.510 0.037 0.000 1.002 778 N CA -0.685 52.459 53.050 0.157 0.000 0.910 778 N CB 1.875 40.569 38.487 0.345 0.000 1.244 778 N HN 0.322 nan 8.380 nan 0.000 0.492 779 L N 3.870 125.057 121.223 -0.060 0.000 2.282 779 L HA 0.371 4.710 4.340 -0.001 0.000 0.287 779 L C -0.987 175.827 176.870 -0.093 0.000 1.075 779 L CA -0.493 54.293 54.840 -0.090 0.000 0.839 779 L CB 0.383 42.374 42.059 -0.113 0.000 1.219 779 L HN 0.209 nan 8.230 nan 0.000 0.434 780 V N 4.439 124.302 119.914 -0.085 0.000 2.364 780 V HA 0.366 4.486 4.120 -0.001 0.000 0.272 780 V C -0.345 175.727 176.094 -0.037 0.000 1.036 780 V CA -0.473 61.797 62.300 -0.050 0.000 0.880 780 V CB 1.216 33.039 31.823 -0.001 0.000 0.991 780 V HN 0.679 nan 8.190 nan 0.000 0.460 781 D N 4.065 124.449 120.400 -0.026 0.000 2.375 781 D HA 0.247 4.887 4.640 -0.001 0.000 0.259 781 D C 0.538 176.843 176.300 0.007 0.000 1.235 781 D CA -0.424 53.571 54.000 -0.008 0.000 0.924 781 D CB 1.276 42.071 40.800 -0.009 0.000 1.143 781 D HN 0.471 nan 8.370 nan 0.000 0.529 782 I N 2.317 122.901 120.570 0.024 0.000 3.083 782 I HA 0.028 4.197 4.170 -0.001 0.000 0.273 782 I C 1.447 177.581 176.117 0.028 0.000 1.297 782 I CA 1.061 62.382 61.300 0.035 0.000 1.452 782 I CB -0.263 37.771 38.000 0.056 0.000 1.078 782 I HN 0.603 nan 8.210 nan 0.000 0.484 783 G N 0.994 109.804 108.800 0.018 0.000 2.672 783 G HA2 -0.480 3.479 3.960 -0.001 0.000 0.324 783 G HA3 -0.480 3.479 3.960 -0.001 0.000 0.324 783 G C 0.679 175.585 174.900 0.012 0.000 1.286 783 G CA 0.709 45.813 45.100 0.008 0.000 1.004 783 G HN 0.690 nan 8.290 nan 0.000 0.548 784 S N -0.419 115.286 115.700 0.009 0.000 2.575 784 S HA 0.515 4.984 4.470 -0.001 0.000 0.237 784 S C 0.492 175.104 174.600 0.021 0.000 0.975 784 S CA 0.047 58.255 58.200 0.012 0.000 0.960 784 S CB 0.445 63.647 63.200 0.003 0.000 0.822 784 S HN 0.626 nan 8.310 nan 0.000 0.472 785 L N 3.928 125.168 121.223 0.028 0.000 2.505 785 L HA 0.286 4.626 4.340 -0.001 0.000 0.279 785 L C 0.057 176.952 176.870 0.040 0.000 1.211 785 L CA 0.278 55.139 54.840 0.035 0.000 1.059 785 L CB -0.864 41.219 42.059 0.041 0.000 1.340 785 L HN 0.243 nan 8.230 nan 0.000 0.447 786 D N 3.182 123.603 120.400 0.035 0.000 2.382 786 D HA 0.006 4.645 4.640 -0.001 0.000 0.240 786 D C 0.594 176.920 176.300 0.044 0.000 1.146 786 D CA -0.001 54.021 54.000 0.037 0.000 0.897 786 D CB 0.428 41.245 40.800 0.029 0.000 1.197 786 D HN 0.355 nan 8.370 nan 0.000 0.432 787 N N 0.499 119.228 118.700 0.050 0.000 2.705 787 N HA -0.163 4.577 4.740 -0.001 0.000 0.255 787 N C -0.866 174.690 175.510 0.077 0.000 1.008 787 N CA 0.899 53.984 53.050 0.059 0.000 0.742 787 N CB -1.103 37.410 38.487 0.044 0.000 0.906 787 N HN 0.350 nan 8.380 nan 0.000 0.541 788 T N 0.363 114.968 114.554 0.085 0.000 2.912 788 T HA 0.428 4.777 4.350 -0.001 0.000 0.299 788 T C -0.296 174.476 174.700 0.120 0.000 1.052 788 T CA -0.689 61.474 62.100 0.105 0.000 0.996 788 T CB 2.444 71.362 68.868 0.083 0.000 1.070 788 T HN 0.027 nan 8.240 nan 0.000 0.465 789 E N 2.316 122.616 120.200 0.166 0.000 2.218 789 E HA 0.411 4.760 4.350 -0.001 0.000 0.263 789 E C -0.714 176.012 176.600 0.211 0.000 0.879 789 E CA -0.558 55.938 56.400 0.161 0.000 0.762 789 E CB 2.151 31.925 29.700 0.124 0.000 1.166 789 E HN 0.503 nan 8.360 nan 0.000 0.415 790 I N 3.212 123.891 120.570 0.181 0.000 2.342 790 I HA 0.244 4.414 4.170 -0.001 0.000 0.291 790 I C 0.106 176.370 176.117 0.245 0.000 1.010 790 I CA -0.509 60.914 61.300 0.205 0.000 1.308 790 I CB 1.119 39.233 38.000 0.189 0.000 1.400 790 I HN 0.233 nan 8.210 nan 0.000 0.488 794 L N 3.048 124.210 121.223 -0.102 0.000 2.333 794 L HA 0.511 4.850 4.340 -0.001 0.000 0.280 794 L C -0.612 176.176 176.870 -0.137 0.000 1.004 794 L CA -0.563 54.153 54.840 -0.207 0.000 0.820 794 L CB 2.036 43.913 42.059 -0.304 0.000 1.247 794 L HN 0.594 nan 8.230 nan 0.000 0.416 795 E N 2.265 122.394 120.200 -0.117 0.000 2.158 795 E HA 0.525 4.874 4.350 -0.001 0.000 0.271 795 E C -0.644 175.899 176.600 -0.094 0.000 0.911 795 E CA -0.513 55.833 56.400 -0.090 0.000 0.767 795 E CB 2.266 31.908 29.700 -0.097 0.000 1.120 795 E HN 0.611 nan 8.360 nan 0.000 0.405 796 T N -1.349 113.158 114.554 -0.077 0.000 2.716 796 T HA 0.314 4.664 4.350 -0.001 0.000 0.286 796 T C 0.186 174.894 174.700 0.013 0.000 1.052 796 T CA -0.675 61.371 62.100 -0.090 0.000 1.024 796 T CB 1.077 69.909 68.868 -0.060 0.000 1.349 796 T HN 0.583 nan 8.240 nan 0.000 0.525 797 H N -0.834 118.231 119.070 -0.008 0.000 2.549 797 H HA 0.419 4.975 4.556 -0.001 0.000 0.279 797 H C 0.181 175.510 175.328 0.001 0.000 1.018 797 H CA -0.524 55.520 56.048 -0.005 0.000 1.175 797 H CB 0.127 29.889 29.762 0.000 0.000 1.485 797 H HN 0.323 nan 8.280 nan 0.000 0.543 798 I N 1.883 122.520 120.570 0.113 0.000 2.668 798 I HA -0.129 4.041 4.170 -0.001 0.000 0.285 798 I C 0.515 176.675 176.117 0.072 0.000 1.168 798 I CA 0.285 61.632 61.300 0.077 0.000 1.424 798 I CB 0.428 38.465 38.000 0.061 0.000 1.377 798 I HN 0.162 nan 8.210 nan 0.000 0.560 799 D N 4.807 125.244 120.400 0.062 0.000 2.801 799 D HA 0.017 4.657 4.640 -0.001 0.000 0.232 799 D C 1.327 177.666 176.300 0.065 0.000 1.128 799 D CA -0.001 54.031 54.000 0.052 0.000 1.003 799 D CB 0.321 41.144 40.800 0.038 0.000 1.110 799 D HN 0.567 nan 8.370 nan 0.000 0.477 800 S N 0.069 115.815 115.700 0.076 0.000 2.489 800 S HA 0.186 4.656 4.470 -0.001 0.000 0.228 800 S C 1.624 176.277 174.600 0.088 0.000 0.995 800 S CA 0.373 58.633 58.200 0.100 0.000 0.934 800 S CB -0.218 63.053 63.200 0.119 0.000 0.771 800 S HN 0.519 nan 8.310 nan 0.000 0.522 801 G N 3.142 111.982 108.800 0.066 0.000 2.574 801 G HA2 -0.391 3.568 3.960 -0.001 0.000 0.301 801 G HA3 -0.391 3.568 3.960 -0.001 0.000 0.301 801 G C 0.154 175.096 174.900 0.069 0.000 1.166 801 G CA 0.595 45.730 45.100 0.058 0.000 0.971 801 G HN 0.786 nan 8.290 nan 0.000 0.542 802 D N 0.160 120.606 120.400 0.076 0.000 2.440 802 D HA 0.352 4.991 4.640 -0.001 0.000 0.216 802 D C 0.673 177.058 176.300 0.142 0.000 1.150 802 D CA -0.216 53.846 54.000 0.105 0.000 0.832 802 D CB 0.264 41.110 40.800 0.077 0.000 0.992 802 D HN 0.464 nan 8.370 nan 0.000 0.502 803 I N 1.472 122.111 120.570 0.115 0.000 2.460 803 I HA 0.517 4.686 4.170 -0.001 0.000 0.298 803 I C -0.184 176.028 176.117 0.158 0.000 0.989 803 I CA -1.061 60.258 61.300 0.031 0.000 1.173 803 I CB 0.738 38.719 38.000 -0.031 0.000 1.338 803 I HN 0.012 nan 8.210 nan 0.000 0.456 804 F N 4.249 124.027 119.950 -0.286 0.000 2.741 804 F HA 0.666 5.193 4.527 -0.001 0.000 0.313 804 F C -2.137 173.335 175.800 -0.546 0.000 1.153 804 F CA -1.166 56.693 58.000 -0.234 0.000 0.931 804 F CB 1.470 40.395 39.000 -0.124 0.000 1.335 804 F HN 0.177 nan 8.300 nan 0.000 0.460 805 Y N 0.285 120.346 120.300 -0.397 0.000 2.462 805 Y HA 0.704 5.253 4.550 -0.001 0.000 0.346 805 Y C 0.023 175.751 175.900 -0.286 0.000 0.976 805 Y CA -0.751 56.983 58.100 -0.610 0.000 1.044 805 Y CB 2.438 40.123 38.460 -1.292 0.000 1.230 805 Y HN 0.867 nan 8.280 nan 0.000 0.455 806 T N -1.336 113.156 114.554 -0.103 0.000 2.896 806 T HA 0.490 4.840 4.350 -0.001 0.000 0.297 806 T C -1.115 173.428 174.700 -0.261 0.000 1.108 806 T CA -1.065 60.996 62.100 -0.065 0.000 1.004 806 T CB 2.078 70.876 68.868 -0.117 0.000 1.159 806 T HN 0.593 nan 8.240 nan 0.000 0.499 807 D N 1.153 121.244 120.400 -0.515 0.000 2.332 807 D HA 0.397 5.036 4.640 -0.001 0.000 0.252 807 D C -0.630 175.413 176.300 -0.428 0.000 1.050 807 D CA -0.831 52.667 54.000 -0.836 0.000 0.970 807 D CB 1.357 41.382 40.800 -1.291 0.000 1.141 807 D HN 0.560 nan 8.370 nan 0.000 0.485 808 L N 1.214 122.228 121.223 -0.349 0.000 2.316 808 L HA 0.251 4.590 4.340 -0.001 0.000 0.280 808 L C 0.277 177.037 176.870 -0.183 0.000 1.006 808 L CA -0.803 53.926 54.840 -0.185 0.000 0.836 808 L CB 0.751 42.764 42.059 -0.077 0.000 1.221 808 L HN 0.420 nan 8.230 nan 0.000 0.418 809 N N 2.793 121.394 118.700 -0.164 0.000 2.693 809 N HA -0.231 4.509 4.740 -0.001 0.000 0.249 809 N C 1.019 176.330 175.510 -0.331 0.000 1.119 809 N CA 0.947 53.897 53.050 -0.167 0.000 0.717 809 N CB -0.794 37.672 38.487 -0.034 0.000 1.071 809 N HN 1.136 nan 8.380 nan 0.000 0.555 810 G N -0.621 107.981 108.800 -0.331 0.000 2.168 810 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.257 810 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.257 810 G C 0.660 175.528 174.900 -0.053 0.000 0.997 810 G CA 0.814 45.741 45.100 -0.288 0.000 0.708 810 G HN 0.478 nan 8.290 nan 0.000 0.520 811 L N -0.595 120.545 121.223 -0.138 0.000 2.467 811 L HA 0.488 4.828 4.340 -0.001 0.000 0.213 811 L C 1.036 177.784 176.870 -0.204 0.000 1.053 811 L CA 1.912 56.589 54.840 -0.272 0.000 0.847 811 L CB 0.142 41.884 42.059 -0.529 0.000 1.075 811 L HN 0.689 nan 8.230 nan 0.000 0.479 812 Q N -1.810 117.875 119.800 -0.193 0.000 2.482 812 Q HA 0.367 4.707 4.340 -0.001 0.000 0.286 812 Q C -1.674 174.205 176.000 -0.202 0.000 1.007 812 Q CA -0.761 54.989 55.803 -0.088 0.000 0.801 812 Q CB 1.239 29.988 28.738 0.018 0.000 1.455 812 Q HN -0.037 nan 8.270 nan 0.000 0.398 813 F N 1.239 121.150 119.950 -0.065 0.000 2.427 813 F HA 0.579 5.106 4.527 -0.001 0.000 0.346 813 F C -0.210 175.560 175.800 -0.050 0.000 1.120 813 F CA -0.824 57.154 58.000 -0.036 0.000 1.033 813 F CB 1.657 40.686 39.000 0.049 0.000 1.126 813 F HN 0.521 nan 8.300 nan 0.000 0.462 814 I N 3.915 124.492 120.570 0.011 0.000 2.493 814 I HA 0.336 4.505 4.170 -0.001 0.000 0.298 814 I C -0.451 175.525 176.117 -0.236 0.000 0.998 814 I CA -0.877 60.379 61.300 -0.074 0.000 1.137 814 I CB 1.263 39.174 38.000 -0.148 0.000 1.310 814 I HN 0.506 nan 8.210 nan 0.000 0.445 815 K N 6.770 126.984 120.400 -0.310 0.000 2.368 815 K HA 0.273 4.592 4.320 -0.001 0.000 0.282 815 K C -0.875 175.267 176.600 -0.763 0.000 1.035 815 K CA -0.365 55.466 56.287 -0.760 0.000 0.973 815 K CB 0.522 32.710 32.500 -0.519 0.000 0.957 815 K HN 0.506 nan 8.250 nan 0.000 0.474 816 R N 3.226 123.087 120.500 -1.065 0.000 2.711 816 R HA 0.357 4.696 4.340 -0.001 0.000 0.284 816 R C -0.588 175.200 176.300 -0.854 0.000 0.968 816 R CA -0.816 54.592 56.100 -1.154 0.000 0.924 816 R CB 1.600 30.666 30.300 -2.056 0.000 1.162 816 R HN 0.677 nan 8.270 nan 0.000 0.465 817 R N 1.519 121.743 120.500 -0.460 0.000 2.451 817 R HA 0.288 4.627 4.340 -0.001 0.000 0.307 817 R C -0.521 175.824 176.300 0.076 0.000 0.965 817 R CA -0.648 55.363 56.100 -0.147 0.000 0.865 817 R CB 1.469 31.721 30.300 -0.079 0.000 1.174 817 R HN 0.528 nan 8.270 nan 0.000 0.455 818 R N 5.036 125.683 120.500 0.246 0.000 2.484 818 R HA 0.110 4.449 4.340 -0.001 0.000 0.293 818 R C -0.932 175.454 176.300 0.144 0.000 1.023 818 R CA 0.219 56.494 56.100 0.292 0.000 1.037 818 R CB 0.389 30.839 30.300 0.250 0.000 0.951 818 R HN 0.550 nan 8.270 nan 0.000 0.418 819 L N 5.229 126.517 121.223 0.108 0.000 2.318 819 L HA 0.214 4.554 4.340 -0.001 0.000 0.277 819 L C 0.258 177.123 176.870 -0.009 0.000 1.008 819 L CA -0.666 54.193 54.840 0.032 0.000 0.846 819 L CB 1.897 43.946 42.059 -0.016 0.000 1.220 819 L HN 0.645 nan 8.230 nan 0.000 0.423 820 D N 1.728 122.130 120.400 0.003 0.000 2.348 820 D HA -0.120 4.520 4.640 -0.001 0.000 0.216 820 D C 1.687 177.970 176.300 -0.028 0.000 0.970 820 D CA 0.815 54.811 54.000 -0.007 0.000 0.889 820 D CB 0.364 41.168 40.800 0.008 0.000 0.912 820 D HN 0.571 nan 8.370 nan 0.000 0.524 821 K N 0.198 120.572 120.400 -0.043 0.000 2.486 821 K HA 0.029 4.348 4.320 -0.001 0.000 0.194 821 K C 0.700 177.240 176.600 -0.099 0.000 1.033 821 K CA 0.315 56.574 56.287 -0.047 0.000 1.004 821 K CB 0.358 32.842 32.500 -0.026 0.000 0.798 821 K HN 0.095 nan 8.250 nan 0.000 0.495 822 L N 2.363 123.491 121.223 -0.158 0.000 2.330 822 L HA 0.465 4.805 4.340 -0.001 0.000 0.271 822 L C -2.246 174.522 176.870 -0.170 0.000 1.013 822 L CA -2.920 51.785 54.840 -0.224 0.000 0.816 822 L CB 1.481 43.304 42.059 -0.392 0.000 1.287 822 L HN -0.049 nan 8.230 nan 0.000 0.435 823 P HA 0.020 nan 4.420 nan 0.000 0.272 823 P C 0.863 178.040 177.300 -0.205 0.000 1.240 823 P CA -0.365 62.642 63.100 -0.154 0.000 0.791 823 P CB 1.329 32.965 31.700 -0.105 0.000 0.978 824 L N 1.079 122.210 121.223 -0.153 0.000 2.021 824 L HA -0.287 4.053 4.340 -0.001 0.000 0.215 824 L C 2.562 179.338 176.870 -0.158 0.000 1.074 824 L CA 1.999 56.768 54.840 -0.118 0.000 0.760 824 L CB -0.664 41.324 42.059 -0.118 0.000 0.889 824 L HN 0.446 nan 8.230 nan 0.000 0.433 825 Q N -0.307 119.287 119.800 -0.344 0.000 2.291 825 Q HA -0.186 4.154 4.340 -0.001 0.000 0.206 825 Q C 1.864 177.757 176.000 -0.179 0.000 0.976 825 Q CA 1.566 57.196 55.803 -0.288 0.000 0.875 825 Q CB -0.551 27.955 28.738 -0.386 0.000 0.927 825 Q HN 0.621 nan 8.270 nan 0.000 0.450 826 A N 1.469 123.983 122.820 -0.511 0.000 2.067 826 A HA -0.038 4.281 4.320 -0.001 0.000 0.217 826 A C 1.627 179.029 177.584 -0.304 0.000 1.156 826 A CA 0.732 52.303 52.037 -0.776 0.000 0.683 826 A CB -0.172 18.017 19.000 -1.351 0.000 0.808 826 A HN 0.345 nan 8.150 nan 0.000 0.455 827 N N -1.103 117.537 118.700 -0.102 0.000 2.383 827 N HA 0.059 4.799 4.740 -0.001 0.000 0.192 827 N C -0.924 174.698 175.510 0.187 0.000 1.141 827 N CA 0.217 53.330 53.050 0.105 0.000 0.851 827 N CB 0.063 38.656 38.487 0.177 0.000 0.976 827 N HN 0.459 nan 8.380 nan 0.000 0.465 828 Y N 0.195 120.456 120.300 -0.066 0.000 2.308 828 Y HA 0.244 4.793 4.550 -0.001 0.000 0.329 828 Y C -0.232 175.638 175.900 -0.050 0.000 1.111 828 Y CA -0.280 57.874 58.100 0.090 0.000 1.179 828 Y CB 0.466 39.046 38.460 0.201 0.000 1.201 828 Y HN -0.068 nan 8.280 nan 0.000 0.483 829 Y N 3.264 123.692 120.300 0.213 0.000 2.605 829 Y HA 0.477 5.026 4.550 -0.001 0.000 0.343 829 Y C -2.346 173.256 175.900 -0.496 0.000 1.036 829 Y CA -2.863 55.223 58.100 -0.024 0.000 1.065 829 Y CB 1.497 39.941 38.460 -0.027 0.000 1.288 829 Y HN 0.448 nan 8.280 nan 0.000 0.481 830 P HA 0.165 nan 4.420 nan 0.000 0.275 830 P C -0.747 176.319 177.300 -0.389 0.000 1.227 830 P CA 0.136 62.663 63.100 -0.956 0.000 0.781 830 P CB 0.575 31.602 31.700 -1.121 0.000 0.906 831 I N 5.008 125.431 120.570 -0.245 0.000 2.778 831 I HA 0.164 4.333 4.170 -0.001 0.000 0.285 831 I C -1.596 174.457 176.117 -0.107 0.000 1.236 831 I CA -2.442 58.787 61.300 -0.119 0.000 1.089 831 I CB 0.796 38.782 38.000 -0.024 0.000 1.601 831 I HN 0.220 nan 8.210 nan 0.000 0.573 832 P HA -0.098 nan 4.420 nan 0.000 0.220 832 P C 0.971 178.246 177.300 -0.042 0.000 1.148 832 P CA 1.358 64.391 63.100 -0.111 0.000 0.803 832 P CB 0.608 32.214 31.700 -0.157 0.000 0.782 833 S N -3.584 112.096 115.700 -0.033 0.000 2.551 833 S HA 0.461 4.930 4.470 -0.001 0.000 0.276 833 S C 0.561 175.256 174.600 0.158 0.000 1.051 833 S CA 0.309 58.547 58.200 0.063 0.000 1.377 833 S CB 0.359 63.614 63.200 0.092 0.000 1.208 833 S HN 0.381 nan 8.310 nan 0.000 0.656 837 I N -0.109 120.708 120.570 0.412 0.000 2.828 837 I HA 0.938 5.107 4.170 -0.001 0.000 0.302 837 I C -1.365 174.940 176.117 0.313 0.000 1.101 837 I CA -0.905 60.593 61.300 0.330 0.000 1.031 837 I CB 2.416 40.527 38.000 0.184 0.000 1.231 837 I HN 0.965 nan 8.210 nan 0.000 0.427 838 E N 1.999 122.363 120.200 0.274 0.000 2.423 838 E HA 0.553 4.903 4.350 -0.001 0.000 0.280 838 E C -2.101 174.583 176.600 0.141 0.000 1.030 838 E CA -0.836 55.670 56.400 0.176 0.000 0.812 838 E CB 2.178 31.973 29.700 0.158 0.000 1.313 838 E HN 0.745 nan 8.360 nan 0.000 0.456 839 D N 0.360 120.813 120.400 0.089 0.000 2.846 839 D HA 0.479 5.118 4.640 -0.001 0.000 0.273 839 D C 0.846 177.176 176.300 0.051 0.000 1.145 839 D CA -0.179 53.865 54.000 0.073 0.000 1.091 839 D CB 0.041 40.876 40.800 0.058 0.000 1.364 839 D HN 0.456 nan 8.370 nan 0.000 0.613 840 A N -0.705 122.139 122.820 0.038 0.000 1.972 840 A HA -0.155 4.164 4.320 -0.001 0.000 0.219 840 A C 1.453 179.042 177.584 0.010 0.000 1.169 840 A CA 1.560 53.612 52.037 0.024 0.000 0.635 840 A CB -0.717 18.296 19.000 0.020 0.000 0.810 840 A HN 0.528 nan 8.150 nan 0.000 0.446 841 N N -1.806 116.900 118.700 0.009 0.000 2.382 841 N HA 0.066 4.805 4.740 -0.001 0.000 0.200 841 N C -0.371 175.133 175.510 -0.010 0.000 1.122 841 N CA 0.679 53.727 53.050 -0.003 0.000 0.870 841 N CB 0.641 39.127 38.487 -0.001 0.000 1.176 841 N HN 0.315 nan 8.380 nan 0.000 0.474 842 T N 0.598 115.153 114.554 0.000 0.000 2.893 842 T HA 0.493 4.842 4.350 -0.001 0.000 0.291 842 T C -0.499 174.199 174.700 -0.003 0.000 1.028 842 T CA -0.660 61.435 62.100 -0.008 0.000 0.995 842 T CB 2.896 71.766 68.868 0.004 0.000 1.051 842 T HN -0.030 nan 8.240 nan 0.000 0.470 843 R N 1.628 122.110 120.500 -0.029 0.000 2.673 843 R HA 0.708 5.047 4.340 -0.001 0.000 0.281 843 R C -2.123 174.158 176.300 -0.032 0.000 0.991 843 R CA -0.882 55.201 56.100 -0.028 0.000 0.896 843 R CB 1.410 31.633 30.300 -0.129 0.000 1.201 843 R HN 0.467 nan 8.270 nan 0.000 0.457 844 L N 2.658 123.892 121.223 0.019 0.000 2.372 844 L HA 0.510 4.849 4.340 -0.001 0.000 0.274 844 L C -1.382 175.530 176.870 0.070 0.000 0.988 844 L CA 0.083 54.928 54.840 0.008 0.000 0.833 844 L CB 2.266 44.319 42.059 -0.010 0.000 1.236 844 L HN 0.650 nan 8.230 nan 0.000 0.410 845 T N 5.684 120.258 114.554 0.034 0.000 2.807 845 T HA 0.575 4.924 4.350 -0.001 0.000 0.279 845 T C -1.057 173.709 174.700 0.109 0.000 0.993 845 T CA -0.275 61.883 62.100 0.098 0.000 0.970 845 T CB 1.422 70.274 68.868 -0.026 0.000 0.950 845 T HN 0.456 nan 8.240 nan 0.000 0.441 846 L N 5.133 126.458 121.223 0.170 0.000 2.298 846 L HA 0.537 4.877 4.340 -0.001 0.000 0.284 846 L C -1.300 175.719 176.870 0.248 0.000 1.013 846 L CA -0.712 54.237 54.840 0.183 0.000 0.824 846 L CB 0.559 42.707 42.059 0.148 0.000 1.221 846 L HN 0.414 nan 8.230 nan 0.000 0.418 847 L N 3.854 125.226 121.223 0.249 0.000 2.343 847 L HA 0.645 4.985 4.340 -0.001 0.000 0.275 847 L C 0.549 177.578 176.870 0.265 0.000 1.056 847 L CA -0.256 54.732 54.840 0.246 0.000 0.804 847 L CB 1.428 43.599 42.059 0.186 0.000 1.203 847 L HN 0.765 nan 8.230 nan 0.000 0.440 848 T N -2.324 112.340 114.554 0.183 0.000 2.908 848 T HA 0.633 4.982 4.350 -0.001 0.000 0.290 848 T C 0.648 175.320 174.700 -0.046 0.000 1.034 848 T CA -0.270 61.854 62.100 0.039 0.000 1.010 848 T CB 1.990 70.883 68.868 0.043 0.000 1.068 848 T HN 0.674 nan 8.240 nan 0.000 0.481 849 G N 0.984 109.680 108.800 -0.174 0.000 3.337 849 G HA2 0.416 4.375 3.960 -0.001 0.000 0.246 849 G HA3 0.416 4.375 3.960 -0.001 0.000 0.246 849 G C 0.140 174.980 174.900 -0.099 0.000 1.131 849 G CA -0.332 44.701 45.100 -0.112 0.000 0.773 849 G HN 0.950 nan 8.290 nan 0.000 0.544 850 Q N -0.042 119.691 119.800 -0.112 0.000 2.479 850 Q HA 0.319 4.658 4.340 -0.001 0.000 0.276 850 Q C -3.535 172.428 176.000 -0.061 0.000 0.989 850 Q CA -2.296 53.465 55.803 -0.069 0.000 0.864 850 Q CB 1.960 30.672 28.738 -0.043 0.000 1.444 850 Q HN 0.004 nan 8.270 nan 0.000 0.388 851 P HA 0.463 nan 4.420 nan 0.000 0.281 851 P C -0.741 176.548 177.300 -0.018 0.000 1.252 851 P CA -0.162 62.924 63.100 -0.024 0.000 0.778 851 P CB 1.010 32.703 31.700 -0.013 0.000 0.895 852 L N 1.796 123.004 121.223 -0.025 0.000 2.491 852 L HA 0.654 4.993 4.340 -0.001 0.000 0.254 852 L C 0.724 177.612 176.870 0.030 0.000 1.048 852 L CA -1.155 53.693 54.840 0.012 0.000 0.855 852 L CB 2.106 44.157 42.059 -0.013 0.000 1.466 852 L HN 0.335 nan 8.230 nan 0.000 0.409 853 G N -0.865 108.009 108.800 0.123 0.000 2.420 853 G HA2 0.662 4.621 3.960 -0.001 0.000 0.284 853 G HA3 0.662 4.621 3.960 -0.001 0.000 0.284 853 G C -0.457 174.470 174.900 0.045 0.000 1.177 853 G CA 0.132 45.356 45.100 0.208 0.000 0.841 853 G HN 0.865 nan 8.290 nan 0.000 0.527 854 G N -1.375 107.268 108.800 -0.262 0.000 2.600 854 G HA2 0.708 4.667 3.960 -0.001 0.000 0.293 854 G HA3 0.708 4.667 3.960 -0.001 0.000 0.293 854 G C -1.106 173.346 174.900 -0.747 0.000 1.408 854 G CA 0.452 45.216 45.100 -0.560 0.000 0.782 854 G HN 1.341 nan 8.290 nan 0.000 0.482 855 S N -1.898 113.430 115.700 -0.621 0.000 2.683 855 S HA 0.708 5.178 4.470 -0.001 0.000 0.269 855 S C -1.636 172.530 174.600 -0.723 0.000 1.165 855 S CA 0.398 58.234 58.200 -0.606 0.000 0.840 855 S CB 1.161 64.075 63.200 -0.476 0.000 1.169 855 S HN 1.615 nan 8.310 nan 0.000 0.490 856 S N 1.529 116.580 115.700 -1.082 0.000 2.524 856 S HA 0.449 4.918 4.470 -0.001 0.000 0.227 856 S C 0.152 174.507 174.600 -0.409 0.000 1.304 856 S CA -0.614 57.154 58.200 -0.720 0.000 1.185 856 S CB -0.111 62.567 63.200 -0.870 0.000 1.104 856 S HN 0.569 nan 8.310 nan 0.000 0.475 857 L N 2.782 123.901 121.223 -0.173 0.000 2.599 857 L HA 0.457 4.796 4.340 -0.001 0.000 0.230 857 L C 0.893 177.752 176.870 -0.018 0.000 1.141 857 L CA 0.371 55.188 54.840 -0.039 0.000 0.877 857 L CB -0.113 41.980 42.059 0.057 0.000 1.009 857 L HN 0.681 nan 8.230 nan 0.000 0.447 858 A N -1.235 121.561 122.820 -0.040 0.000 2.604 858 A HA 0.430 4.750 4.320 -0.001 0.000 0.295 858 A C -0.409 177.167 177.584 -0.013 0.000 1.067 858 A CA -0.462 51.568 52.037 -0.012 0.000 0.683 858 A CB 1.164 20.162 19.000 -0.005 0.000 1.281 858 A HN -0.139 nan 8.150 nan 0.000 0.407 859 S N 0.100 115.807 115.700 0.011 0.000 2.563 859 S HA 0.393 4.862 4.470 -0.001 0.000 0.294 859 S C 1.541 176.153 174.600 0.020 0.000 1.279 859 S CA 1.961 60.175 58.200 0.024 0.000 1.069 859 S CB -0.103 63.116 63.200 0.031 0.000 0.828 859 S HN 2.664 nan 8.310 nan 0.000 0.497 860 G N 3.465 112.281 108.800 0.028 0.000 2.179 860 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.260 860 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.260 860 G C -0.161 174.732 174.900 -0.012 0.000 0.977 860 G CA 0.480 45.594 45.100 0.024 0.000 0.641 860 G HN 0.721 nan 8.290 nan 0.000 0.533 861 E N -0.591 119.589 120.200 -0.034 0.000 2.222 861 E HA 0.802 5.152 4.350 -0.001 0.000 0.267 861 E C -0.284 176.257 176.600 -0.099 0.000 0.963 861 E CA -0.773 55.587 56.400 -0.067 0.000 0.837 861 E CB 1.893 31.552 29.700 -0.067 0.000 1.183 861 E HN 0.218 nan 8.360 nan 0.000 0.403 862 L N 1.695 122.856 121.223 -0.102 0.000 2.455 862 L HA 0.404 4.744 4.340 -0.001 0.000 0.264 862 L C -0.903 175.908 176.870 -0.098 0.000 0.968 862 L CA -0.582 54.190 54.840 -0.113 0.000 0.827 862 L CB 2.135 44.157 42.059 -0.061 0.000 1.317 862 L HN 0.689 nan 8.230 nan 0.000 0.407 863 E N 3.629 123.762 120.200 -0.113 0.000 2.366 863 E HA 0.759 5.109 4.350 -0.001 0.000 0.278 863 E C -1.607 174.955 176.600 -0.063 0.000 0.923 863 E CA -0.732 55.635 56.400 -0.056 0.000 0.761 863 E CB 3.451 33.163 29.700 0.019 0.000 1.231 863 E HN 0.552 nan 8.360 nan 0.000 0.443 867 D N -0.332 120.209 120.400 0.235 0.000 2.694 867 D HA 0.428 5.068 4.640 -0.001 0.000 0.260 867 D C -1.425 174.951 176.300 0.127 0.000 1.250 867 D CA -0.330 53.785 54.000 0.191 0.000 0.763 867 D CB 1.377 42.284 40.800 0.178 0.000 1.311 867 D HN 0.082 nan 8.370 nan 0.000 0.420 868 R N 0.858 121.420 120.500 0.104 0.000 2.584 868 R HA 0.679 5.018 4.340 -0.001 0.000 0.276 868 R C -1.017 175.330 176.300 0.079 0.000 1.046 868 R CA -1.052 55.093 56.100 0.074 0.000 0.906 868 R CB 2.116 32.430 30.300 0.023 0.000 1.215 868 R HN 0.304 nan 8.270 nan 0.000 0.449 869 R N 3.853 124.397 120.500 0.074 0.000 2.435 869 R HA 0.449 4.788 4.340 -0.001 0.000 0.308 869 R C -1.379 174.958 176.300 0.062 0.000 0.975 869 R CA -0.548 55.592 56.100 0.067 0.000 0.867 869 R CB 1.172 31.509 30.300 0.061 0.000 1.171 869 R HN 0.699 nan 8.270 nan 0.000 0.470 870 L N 3.871 125.129 121.223 0.058 0.000 2.356 870 L HA 0.534 4.874 4.340 -0.001 0.000 0.277 870 L C 0.832 177.729 176.870 0.046 0.000 0.996 870 L CA -0.590 54.282 54.840 0.053 0.000 0.822 870 L CB 2.095 44.187 42.059 0.056 0.000 1.256 870 L HN 0.772 nan 8.230 nan 0.000 0.413 871 A N 1.647 124.491 122.820 0.039 0.000 2.016 871 A HA 0.054 4.374 4.320 -0.001 0.000 0.217 871 A C 1.108 178.710 177.584 0.031 0.000 1.162 871 A CA 0.918 52.975 52.037 0.032 0.000 0.662 871 A CB -0.123 18.892 19.000 0.025 0.000 0.812 871 A HN 0.711 nan 8.150 nan 0.000 0.450 872 S N -0.543 115.176 115.700 0.032 0.000 2.681 872 S HA 0.494 4.963 4.470 -0.001 0.000 0.299 872 S C -0.691 173.933 174.600 0.039 0.000 1.113 872 S CA -0.499 57.719 58.200 0.030 0.000 1.013 872 S CB 1.393 64.607 63.200 0.023 0.000 1.076 872 S HN 0.316 nan 8.310 nan 0.000 0.534 873 D N -0.564 119.860 120.400 0.040 0.000 2.264 873 D HA 0.293 4.932 4.640 -0.001 0.000 0.249 873 D C -0.247 176.080 176.300 0.045 0.000 1.070 873 D CA -0.531 53.503 54.000 0.057 0.000 0.912 873 D CB 0.809 41.643 40.800 0.057 0.000 1.193 873 D HN 0.588 nan 8.370 nan 0.000 0.427 874 D N 2.323 122.756 120.400 0.056 0.000 2.722 874 D HA 0.061 4.700 4.640 -0.001 0.000 0.239 874 D C -0.401 175.873 176.300 -0.044 0.000 1.249 874 D CA -0.351 53.650 54.000 0.003 0.000 0.830 874 D CB -0.474 40.318 40.800 -0.013 0.000 1.025 874 D HN 0.665 nan 8.370 nan 0.000 0.486 875 E N -0.014 120.182 120.200 -0.006 0.000 2.403 875 E HA -0.248 4.101 4.350 -0.001 0.000 0.241 875 E C 0.255 176.826 176.600 -0.048 0.000 1.201 875 E CA 0.197 56.590 56.400 -0.012 0.000 0.721 875 E CB -0.572 29.118 29.700 -0.018 0.000 1.245 875 E HN 0.261 nan 8.360 nan 0.000 0.392 876 R N -0.752 119.702 120.500 -0.078 0.000 2.543 876 R HA 0.188 4.527 4.340 -0.001 0.000 0.323 876 R C 1.346 177.709 176.300 0.106 0.000 1.002 876 R CA 0.642 56.624 56.100 -0.198 0.000 1.106 876 R CB 0.998 30.771 30.300 -0.879 0.000 1.280 876 R HN 0.417 nan 8.270 nan 0.000 0.549 877 G N 0.836 109.781 108.800 0.242 0.000 2.213 877 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.226 877 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.226 877 G C 0.800 175.899 174.900 0.332 0.000 0.992 877 G CA 0.272 45.620 45.100 0.413 0.000 0.632 877 G HN 0.292 nan 8.290 nan 0.000 0.511 878 L N 1.464 122.950 121.223 0.439 0.000 2.083 878 L HA 0.388 4.727 4.340 -0.001 0.000 0.209 878 L C 2.284 179.169 176.870 0.024 0.000 1.083 878 L CA 2.977 57.955 54.840 0.230 0.000 0.752 878 L CB -0.699 41.606 42.059 0.411 0.000 0.899 878 L HN 1.771 nan 8.230 nan 0.000 0.433 879 G N -0.701 108.142 108.800 0.071 0.000 2.147 879 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.244 879 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.244 879 G C 0.086 175.003 174.900 0.028 0.000 1.005 879 G CA 0.620 45.737 45.100 0.028 0.000 0.713 879 G HN 0.809 nan 8.290 nan 0.000 0.515 880 Q N -2.178 117.654 119.800 0.052 0.000 2.702 880 Q HA 0.649 4.988 4.340 -0.001 0.000 0.289 880 Q C 0.310 176.346 176.000 0.060 0.000 0.923 880 Q CA -0.550 55.280 55.803 0.046 0.000 0.787 880 Q CB 0.354 29.114 28.738 0.036 0.000 1.476 880 Q HN 1.014 nan 8.270 nan 0.000 0.402 881 G N 0.053 108.883 108.800 0.050 0.000 2.574 881 G HA2 0.541 4.501 3.960 -0.001 0.000 0.248 881 G HA3 0.541 4.501 3.960 -0.001 0.000 0.248 881 G C -0.960 173.973 174.900 0.055 0.000 1.422 881 G CA -0.633 44.498 45.100 0.053 0.000 1.051 881 G HN 0.440 nan 8.290 nan 0.000 0.560 882 V N 0.908 120.855 119.914 0.056 0.000 2.305 882 V HA 0.338 4.458 4.120 -0.001 0.000 0.275 882 V C 0.066 176.197 176.094 0.062 0.000 1.020 882 V CA -0.137 62.201 62.300 0.064 0.000 0.811 882 V CB 0.882 32.746 31.823 0.070 0.000 1.031 882 V HN 0.528 nan 8.190 nan 0.000 0.439 883 L N 3.040 124.298 121.223 0.057 0.000 3.184 883 L HA 0.312 4.651 4.340 -0.001 0.000 0.283 883 L C 0.692 177.590 176.870 0.048 0.000 1.218 883 L CA 0.029 54.898 54.840 0.048 0.000 1.028 883 L CB 0.647 42.728 42.059 0.038 0.000 1.400 883 L HN 0.658 nan 8.230 nan 0.000 0.591 884 D N -1.894 118.543 120.400 0.062 0.000 2.587 884 D HA 0.046 4.685 4.640 -0.001 0.000 0.233 884 D C 0.141 176.483 176.300 0.068 0.000 1.213 884 D CA -0.394 53.642 54.000 0.061 0.000 0.827 884 D CB -0.311 40.534 40.800 0.075 0.000 1.006 884 D HN 0.066 nan 8.370 nan 0.000 0.490 885 N N 1.845 120.583 118.700 0.064 0.000 2.374 885 N HA 0.063 4.802 4.740 -0.001 0.000 0.241 885 N C 0.299 175.819 175.510 0.016 0.000 1.262 885 N CA 0.576 53.664 53.050 0.063 0.000 0.880 885 N CB 0.883 39.406 38.487 0.061 0.000 1.105 885 N HN 0.430 nan 8.380 nan 0.000 0.438 886 K N -0.222 120.175 120.400 -0.006 0.000 2.532 886 K HA 0.510 4.830 4.320 -0.001 0.000 0.265 886 K C -3.260 173.310 176.600 -0.049 0.000 0.948 886 K CA -1.836 54.402 56.287 -0.082 0.000 0.842 886 K CB 1.356 33.716 32.500 -0.234 0.000 1.392 886 K HN 0.084 nan 8.250 nan 0.000 0.436 887 P HA -0.032 nan 4.420 nan 0.000 0.262 887 P C -1.068 176.252 177.300 0.032 0.000 1.182 887 P CA -0.415 62.668 63.100 -0.029 0.000 0.761 887 P CB 0.743 32.417 31.700 -0.044 0.000 0.795 888 V N 5.196 125.101 119.914 -0.016 0.000 2.841 888 V HA 0.480 4.599 4.120 -0.001 0.000 0.310 888 V C -1.389 174.580 176.094 -0.208 0.000 1.090 888 V CA -1.093 61.178 62.300 -0.049 0.000 0.930 888 V CB 2.141 33.918 31.823 -0.078 0.000 1.014 888 V HN 0.274 nan 8.190 nan 0.000 0.425 889 L N 6.983 128.111 121.223 -0.158 0.000 2.272 889 L HA 0.598 4.938 4.340 -0.001 0.000 0.284 889 L C -0.380 176.464 176.870 -0.043 0.000 1.045 889 L CA 0.158 54.936 54.840 -0.103 0.000 0.842 889 L CB 0.326 42.349 42.059 -0.060 0.000 1.224 889 L HN 0.703 nan 8.230 nan 0.000 0.430 890 H N 5.703 124.790 119.070 0.029 0.000 2.525 890 H HA 0.490 5.046 4.556 -0.001 0.000 0.339 890 H C -0.094 175.140 175.328 -0.157 0.000 1.109 890 H CA -0.208 55.798 56.048 -0.069 0.000 1.352 890 H CB 1.299 31.081 29.762 0.034 0.000 1.461 890 H HN 0.697 nan 8.280 nan 0.000 0.533 891 I N 0.179 120.595 120.570 -0.257 0.000 2.689 891 I HA 0.613 4.782 4.170 -0.001 0.000 0.299 891 I C -1.401 174.403 176.117 -0.521 0.000 1.059 891 I CA -0.938 60.231 61.300 -0.218 0.000 1.055 891 I CB 2.125 40.081 38.000 -0.073 0.000 1.243 891 I HN 0.250 nan 8.210 nan 0.000 0.425 892 Y N 2.425 122.777 120.300 0.087 0.000 2.670 892 Y HA 0.712 5.262 4.550 -0.001 0.000 0.334 892 Y C -0.669 175.287 175.900 0.093 0.000 1.185 892 Y CA -1.116 57.042 58.100 0.097 0.000 1.053 892 Y CB 1.431 39.968 38.460 0.129 0.000 1.298 892 Y HN 0.419 nan 8.280 nan 0.000 0.459 893 R N 1.371 122.042 120.500 0.284 0.000 2.628 893 R HA 0.568 4.908 4.340 -0.001 0.000 0.288 893 R C -2.000 174.411 176.300 0.186 0.000 0.980 893 R CA -1.043 55.169 56.100 0.187 0.000 0.891 893 R CB 2.415 32.788 30.300 0.121 0.000 1.188 893 R HN 0.650 nan 8.270 nan 0.000 0.450 894 L N 3.114 124.427 121.223 0.151 0.000 2.316 894 L HA 0.448 4.788 4.340 -0.001 0.000 0.280 894 L C -1.140 175.760 176.870 0.049 0.000 1.006 894 L CA -0.557 54.346 54.840 0.106 0.000 0.836 894 L CB 1.753 43.880 42.059 0.114 0.000 1.221 894 L HN 0.312 nan 8.230 nan 0.000 0.418 895 V N 6.242 126.171 119.914 0.025 0.000 2.313 895 V HA 0.390 4.510 4.120 -0.001 0.000 0.278 895 V C -0.303 175.770 176.094 -0.036 0.000 1.017 895 V CA -0.602 61.694 62.300 -0.008 0.000 0.823 895 V CB 1.316 33.128 31.823 -0.018 0.000 1.010 895 V HN 0.628 nan 8.190 nan 0.000 0.443 896 L N 5.489 126.687 121.223 -0.042 0.000 2.275 896 L HA 0.693 5.032 4.340 -0.001 0.000 0.288 896 L C -0.137 176.700 176.870 -0.056 0.000 1.046 896 L CA 0.646 55.454 54.840 -0.053 0.000 0.805 896 L CB 1.041 43.065 42.059 -0.058 0.000 1.193 896 L HN 0.740 nan 8.230 nan 0.000 0.426 897 E N 3.571 123.731 120.200 -0.066 0.000 2.408 897 E HA 0.456 4.805 4.350 -0.001 0.000 0.275 897 E C -1.284 175.277 176.600 -0.065 0.000 0.935 897 E CA -1.188 55.170 56.400 -0.070 0.000 0.775 897 E CB 1.589 31.231 29.700 -0.096 0.000 1.277 897 E HN 0.268 nan 8.360 nan 0.000 0.455 898 K N 1.381 121.746 120.400 -0.059 0.000 2.201 898 K HA 0.243 4.562 4.320 -0.001 0.000 0.278 898 K C 0.276 176.838 176.600 -0.063 0.000 1.027 898 K CA -0.246 56.010 56.287 -0.050 0.000 0.909 898 K CB 1.421 33.896 32.500 -0.041 0.000 1.062 898 K HN 0.467 nan 8.250 nan 0.000 0.465 899 V N -0.445 119.432 119.914 -0.060 0.000 3.252 899 V HA 0.035 4.154 4.120 -0.001 0.000 0.320 899 V C 1.126 177.189 176.094 -0.052 0.000 1.459 899 V CA -0.363 61.893 62.300 -0.072 0.000 1.095 899 V CB -0.301 31.462 31.823 -0.099 0.000 0.997 899 V HN 0.617 nan 8.190 nan 0.000 0.469 900 N N 1.359 120.036 118.700 -0.038 0.000 2.364 900 N HA -0.169 4.571 4.740 -0.001 0.000 0.183 900 N C 0.985 176.477 175.510 -0.030 0.000 1.022 900 N CA 1.578 54.612 53.050 -0.027 0.000 0.883 900 N CB -0.449 38.026 38.487 -0.020 0.000 0.965 900 N HN 0.559 nan 8.380 nan 0.000 0.438 901 N N -0.027 118.650 118.700 -0.038 0.000 2.280 901 N HA 0.081 4.821 4.740 -0.001 0.000 0.192 901 N C -0.284 175.198 175.510 -0.047 0.000 1.109 901 N CA -0.130 52.897 53.050 -0.039 0.000 0.855 901 N CB 0.225 38.689 38.487 -0.039 0.000 0.974 901 N HN 0.199 nan 8.380 nan 0.000 0.482 902 c N 1.344 119.910 118.600 -0.056 0.000 2.601 902 c HA 0.273 4.842 4.570 -0.001 0.000 0.409 902 c C 1.096 175.151 174.090 -0.058 0.000 1.293 902 c CA -0.906 55.382 56.329 -0.068 0.000 2.101 902 c CB 0.844 43.300 42.510 -0.091 0.000 2.639 902 c HN 0.006 nan 8.230 nan 0.000 0.592 903 V N 5.419 125.295 119.914 -0.064 0.000 2.370 903 V HA 0.209 4.328 4.120 -0.001 0.000 0.257 903 V C 0.638 176.697 176.094 -0.058 0.000 1.064 903 V CA 0.353 62.620 62.300 -0.055 0.000 0.975 903 V CB -0.662 31.124 31.823 -0.062 0.000 1.067 903 V HN 0.797 nan 8.190 nan 0.000 0.485 904 R N 4.522 125.000 120.500 -0.036 0.000 2.758 904 R HA 0.552 4.891 4.340 -0.001 0.000 0.265 904 R C -2.418 173.880 176.300 -0.002 0.000 1.016 904 R CA -1.822 54.265 56.100 -0.022 0.000 1.040 904 R CB 0.945 31.236 30.300 -0.015 0.000 1.152 904 R HN 0.397 nan 8.270 nan 0.000 0.503 905 P HA -0.022 nan 4.420 nan 0.000 0.270 905 P C -0.449 176.899 177.300 0.079 0.000 1.223 905 P CA -0.225 62.873 63.100 -0.005 0.000 0.785 905 P CB 0.600 32.222 31.700 -0.131 0.000 0.923 906 S N 0.756 116.533 115.700 0.128 0.000 2.596 906 S HA 0.091 4.561 4.470 -0.001 0.000 0.260 906 S C 1.021 175.704 174.600 0.139 0.000 1.336 906 S CA -0.202 58.070 58.200 0.119 0.000 0.993 906 S CB 0.326 63.596 63.200 0.118 0.000 0.923 906 S HN 0.304 nan 8.310 nan 0.000 0.567 907 K N 0.156 120.618 120.400 0.104 0.000 2.280 907 K HA 0.047 4.367 4.320 -0.001 0.000 0.202 907 K C 1.352 178.009 176.600 0.093 0.000 1.047 907 K CA 1.100 57.444 56.287 0.097 0.000 0.942 907 K CB -0.552 31.988 32.500 0.067 0.000 0.739 907 K HN 0.539 nan 8.250 nan 0.000 0.457 908 L N -0.065 121.216 121.223 0.096 0.000 2.607 908 L HA 0.060 4.400 4.340 -0.001 0.000 0.228 908 L C 0.932 177.852 176.870 0.083 0.000 1.123 908 L CA -0.270 54.611 54.840 0.068 0.000 0.890 908 L CB -0.166 41.918 42.059 0.042 0.000 1.103 908 L HN 0.232 nan 8.230 nan 0.000 0.468 909 H N 2.266 121.374 119.070 0.064 0.000 2.722 909 H HA 0.101 4.656 4.556 -0.001 0.000 0.328 909 H C -1.793 173.576 175.328 0.068 0.000 1.067 909 H CA -1.395 54.704 56.048 0.085 0.000 1.447 909 H CB 1.826 31.666 29.762 0.130 0.000 1.469 909 H HN -0.102 nan 8.280 nan 0.000 0.544 910 P HA 0.120 nan 4.420 nan 0.000 0.241 910 P C -0.484 176.925 177.300 0.182 0.000 1.191 910 P CA 0.295 63.435 63.100 0.067 0.000 0.771 910 P CB 0.528 32.195 31.700 -0.054 0.000 0.929 911 A N -0.410 122.693 122.820 0.471 0.000 2.313 911 A HA 0.775 5.094 4.320 -0.001 0.000 0.323 911 A C 0.196 177.840 177.584 0.100 0.000 1.133 911 A CA -0.358 51.820 52.037 0.236 0.000 0.847 911 A CB 1.070 20.200 19.000 0.216 0.000 1.308 911 A HN 0.137 nan 8.150 nan 0.000 0.475 912 G N -1.445 107.275 108.800 -0.133 0.000 2.619 912 G HA2 0.626 4.586 3.960 -0.001 0.000 0.296 912 G HA3 0.626 4.586 3.960 -0.001 0.000 0.296 912 G C -1.830 172.727 174.900 -0.572 0.000 1.334 912 G CA -0.377 44.594 45.100 -0.215 0.000 0.934 912 G HN 0.542 nan 8.290 nan 0.000 0.476 913 Y N -0.549 119.711 120.300 -0.067 0.000 2.524 913 Y HA 0.503 5.053 4.550 -0.001 0.000 0.347 913 Y C 0.419 176.078 175.900 -0.402 0.000 1.005 913 Y CA -0.936 57.060 58.100 -0.173 0.000 1.025 913 Y CB 2.136 40.489 38.460 -0.179 0.000 1.275 913 Y HN 0.345 nan 8.280 nan 0.000 0.460 914 L N 1.941 123.002 121.223 -0.271 0.000 2.466 914 L HA 0.409 4.749 4.340 -0.001 0.000 0.257 914 L C 0.649 177.372 176.870 -0.245 0.000 1.189 914 L CA -0.534 54.067 54.840 -0.400 0.000 0.813 914 L CB 0.793 42.690 42.059 -0.271 0.000 1.118 914 L HN 0.771 nan 8.230 nan 0.000 0.471 915 T N -3.036 111.369 114.554 -0.247 0.000 2.881 915 T HA 0.099 4.449 4.350 -0.001 0.000 0.278 915 T C 1.065 175.720 174.700 -0.075 0.000 0.982 915 T CA -0.191 61.811 62.100 -0.163 0.000 0.989 915 T CB 1.595 70.361 68.868 -0.170 0.000 1.058 915 T HN 0.597 nan 8.240 nan 0.000 0.529 916 S N 0.535 116.205 115.700 -0.050 0.000 2.359 916 S HA -0.157 4.312 4.470 -0.001 0.000 0.224 916 S C 2.359 176.978 174.600 0.033 0.000 1.035 916 S CA 1.573 59.778 58.200 0.009 0.000 1.018 916 S CB -1.263 61.930 63.200 -0.012 0.000 0.876 916 S HN 0.930 nan 8.310 nan 0.000 0.448 917 A N 1.348 124.163 122.820 -0.009 0.000 1.902 917 A HA 0.175 4.494 4.320 -0.001 0.000 0.217 917 A C 2.503 180.088 177.584 0.001 0.000 1.181 917 A CA 2.005 54.039 52.037 -0.006 0.000 0.623 917 A CB -1.428 17.558 19.000 -0.024 0.000 0.818 917 A HN 0.847 nan 8.150 nan 0.000 0.443 918 A N -1.431 121.377 122.820 -0.021 0.000 1.930 918 A HA -0.180 4.140 4.320 -0.001 0.000 0.217 918 A C 2.121 179.739 177.584 0.057 0.000 1.175 918 A CA 1.634 53.662 52.037 -0.015 0.000 0.627 918 A CB -0.933 18.000 19.000 -0.112 0.000 0.815 918 A HN 0.788 nan 8.150 nan 0.000 0.443 919 H N -0.031 119.032 119.070 -0.012 0.000 2.321 919 H HA -0.057 4.499 4.556 -0.001 0.000 0.300 919 H C 1.849 177.221 175.328 0.073 0.000 1.087 919 H CA 1.820 57.898 56.048 0.050 0.000 1.319 919 H CB -0.031 29.755 29.762 0.040 0.000 1.379 919 H HN 0.436 nan 8.280 nan 0.000 0.501 920 K N 0.187 120.554 120.400 -0.055 0.000 2.097 920 K HA -0.063 4.257 4.320 -0.001 0.000 0.206 920 K C 2.374 178.945 176.600 -0.049 0.000 1.049 920 K CA 0.814 57.049 56.287 -0.087 0.000 0.933 920 K CB -0.016 32.483 32.500 -0.002 0.000 0.717 920 K HN 0.267 nan 8.250 nan 0.000 0.442 921 A N 0.817 123.633 122.820 -0.008 0.000 1.933 921 A HA -0.175 4.144 4.320 -0.001 0.000 0.218 921 A C 2.196 179.792 177.584 0.020 0.000 1.175 921 A CA 1.972 54.020 52.037 0.017 0.000 0.628 921 A CB -0.592 18.431 19.000 0.039 0.000 0.814 921 A HN 0.271 nan 8.150 nan 0.000 0.444 922 S N -0.667 115.048 115.700 0.025 0.000 2.368 922 S HA -0.221 4.249 4.470 -0.001 0.000 0.225 922 S C 2.123 176.724 174.600 0.003 0.000 1.030 922 S CA 1.653 59.886 58.200 0.055 0.000 0.999 922 S CB -0.392 62.887 63.200 0.131 0.000 0.844 922 S HN 0.678 nan 8.310 nan 0.000 0.459 923 Q N 0.633 120.389 119.800 -0.073 0.000 2.170 923 Q HA -0.080 4.260 4.340 -0.001 0.000 0.203 923 Q C 2.459 178.429 176.000 -0.050 0.000 0.976 923 Q CA 1.610 57.373 55.803 -0.067 0.000 0.858 923 Q CB -0.286 28.389 28.738 -0.106 0.000 0.907 923 Q HN 0.805 nan 8.270 nan 0.000 0.433 924 S N 0.114 115.791 115.700 -0.037 0.000 2.447 924 S HA -0.064 4.405 4.470 -0.001 0.000 0.233 924 S C 1.820 176.385 174.600 -0.058 0.000 1.006 924 S CA 0.636 58.812 58.200 -0.040 0.000 0.957 924 S CB -0.169 63.022 63.200 -0.015 0.000 0.773 924 S HN 0.276 nan 8.310 nan 0.000 0.507 925 L N 0.004 121.202 121.223 -0.042 0.000 2.145 925 L HA 0.245 4.584 4.340 -0.001 0.000 0.201 925 L C 2.491 179.310 176.870 -0.085 0.000 1.075 925 L CA 0.648 55.458 54.840 -0.050 0.000 0.773 925 L CB -0.376 41.674 42.059 -0.016 0.000 0.936 925 L HN 0.274 nan 8.230 nan 0.000 0.451 926 L N -1.039 120.141 121.223 -0.071 0.000 2.209 926 L HA 0.002 4.342 4.340 -0.001 0.000 0.207 926 L C 0.193 176.966 176.870 -0.162 0.000 1.094 926 L CA 0.856 55.641 54.840 -0.091 0.000 0.790 926 L CB 0.042 42.075 42.059 -0.043 0.000 0.932 926 L HN 0.217 nan 8.230 nan 0.000 0.447 927 D N 0.197 120.489 120.400 -0.181 0.000 2.613 927 D HA 0.228 4.868 4.640 -0.001 0.000 0.312 927 D C -2.326 173.789 176.300 -0.309 0.000 1.202 927 D CA -0.949 52.886 54.000 -0.274 0.000 0.825 927 D CB 1.294 42.122 40.800 0.047 0.000 1.113 927 D HN 0.070 nan 8.370 nan 0.000 0.502 928 P HA 0.132 nan 4.420 nan 0.000 0.275 928 P C 0.515 177.706 177.300 -0.182 0.000 1.266 928 P CA -0.497 62.460 63.100 -0.238 0.000 0.793 928 P CB 1.589 33.159 31.700 -0.218 0.000 1.074 929 L N 0.583 121.747 121.223 -0.098 0.000 2.461 929 L HA 0.137 4.476 4.340 -0.001 0.000 0.272 929 L C 0.883 177.746 176.870 -0.012 0.000 1.197 929 L CA 0.269 55.091 54.840 -0.029 0.000 0.836 929 L CB -0.199 41.851 42.059 -0.015 0.000 1.105 929 L HN 0.276 nan 8.230 nan 0.000 0.477 930 D N 2.635 123.092 120.400 0.095 0.000 2.175 930 D HA 0.329 4.968 4.640 -0.001 0.000 0.248 930 D C -0.429 175.862 176.300 -0.015 0.000 1.047 930 D CA -0.346 53.654 54.000 0.001 0.000 0.883 930 D CB 1.763 42.616 40.800 0.089 0.000 1.180 930 D HN 0.351 nan 8.370 nan 0.000 0.438 931 K N 1.518 121.784 120.400 -0.224 0.000 2.292 931 K HA 0.463 4.783 4.320 -0.001 0.000 0.257 931 K C -0.958 175.546 176.600 -0.159 0.000 0.940 931 K CA -0.643 55.636 56.287 -0.014 0.000 0.811 931 K CB 1.520 33.973 32.500 -0.078 0.000 1.120 931 K HN 0.217 nan 8.250 nan 0.000 0.428 932 F N 2.620 122.744 119.950 0.289 0.000 2.520 932 F HA 0.495 5.022 4.527 -0.001 0.000 0.322 932 F C 0.059 176.144 175.800 0.475 0.000 1.103 932 F CA -0.918 57.253 58.000 0.285 0.000 0.926 932 F CB 1.246 40.242 39.000 -0.007 0.000 1.154 932 F HN 0.199 nan 8.300 nan 0.000 0.453 933 I N 3.484 124.435 120.570 0.635 0.000 2.362 933 I HA 0.212 4.382 4.170 -0.001 0.000 0.289 933 I C -0.593 175.801 176.117 0.461 0.000 0.994 933 I CA -0.826 60.770 61.300 0.493 0.000 1.158 933 I CB 1.221 39.413 38.000 0.321 0.000 1.315 933 I HN 0.431 nan 8.210 nan 0.000 0.451 934 F N 5.773 125.864 119.950 0.235 0.000 2.578 934 F HA 0.172 4.698 4.527 -0.001 0.000 0.381 934 F C 1.230 176.941 175.800 -0.149 0.000 1.069 934 F CA 0.151 57.992 58.000 -0.264 0.000 1.231 934 F CB 1.130 40.005 39.000 -0.208 0.000 1.086 934 F HN 0.623 nan 8.300 nan 0.000 0.564 935 A N 4.664 126.983 122.820 -0.835 0.000 1.854 935 A HA -0.038 4.281 4.320 -0.001 0.000 0.214 935 A C 1.058 178.385 177.584 -0.429 0.000 1.192 935 A CA 0.736 52.452 52.037 -0.534 0.000 0.611 935 A CB -0.664 17.985 19.000 -0.585 0.000 0.832 935 A HN 0.795 nan 8.150 nan 0.000 0.442 936 E N -0.144 119.637 120.200 -0.699 0.000 2.397 936 E HA 0.073 4.422 4.350 -0.001 0.000 0.254 936 E C 0.378 177.066 176.600 0.146 0.000 1.231 936 E CA -0.291 55.995 56.400 -0.190 0.000 0.954 936 E CB 0.216 29.863 29.700 -0.088 0.000 1.024 936 E HN 0.336 nan 8.360 nan 0.000 0.481 937 N N 0.683 119.488 118.700 0.175 0.000 2.270 937 N HA -0.096 4.643 4.740 -0.001 0.000 0.181 937 N C -0.114 175.542 175.510 0.243 0.000 1.016 937 N CA 0.942 54.106 53.050 0.191 0.000 0.870 937 N CB 0.194 38.751 38.487 0.118 0.000 0.979 937 N HN 0.474 nan 8.380 nan 0.000 0.431 938 E N -0.720 119.654 120.200 0.289 0.000 2.272 938 E HA 0.127 4.476 4.350 -0.001 0.000 0.269 938 E C -1.577 175.162 176.600 0.232 0.000 0.877 938 E CA -0.719 55.790 56.400 0.181 0.000 0.755 938 E CB 1.368 31.131 29.700 0.106 0.000 1.192 938 E HN -0.018 nan 8.360 nan 0.000 0.422 939 W N 7.970 129.005 121.300 -0.442 0.000 2.309 939 W HA 0.410 5.069 4.660 -0.001 0.000 0.332 939 W C -1.316 175.029 176.519 -0.291 0.000 0.962 939 W CA -1.491 55.457 57.345 -0.661 0.000 1.497 939 W CB -0.101 28.424 29.460 -1.559 0.000 1.308 939 W HN 0.464 nan 8.180 nan 0.000 0.384 940 I N 5.727 126.409 120.570 0.187 0.000 2.556 940 I HA 0.216 4.386 4.170 -0.001 0.000 0.284 940 I C 1.511 177.609 176.117 -0.032 0.000 1.114 940 I CA 1.155 62.479 61.300 0.040 0.000 1.418 940 I CB 0.462 38.515 38.000 0.089 0.000 1.394 940 I HN 0.772 nan 8.210 nan 0.000 0.552 941 G N 4.328 113.027 108.800 -0.169 0.000 2.143 941 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.249 941 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.249 941 G C 0.412 175.053 174.900 -0.432 0.000 0.981 941 G CA -0.048 44.928 45.100 -0.207 0.000 0.665 941 G HN 1.007 nan 8.290 nan 0.000 0.528 942 A N -0.360 121.959 122.820 -0.834 0.000 2.540 942 A HA 0.557 4.876 4.320 -0.001 0.000 0.239 942 A C 0.580 177.730 177.584 -0.723 0.000 1.061 942 A CA 0.762 51.942 52.037 -1.428 0.000 0.758 942 A CB 0.246 18.130 19.000 -1.860 0.000 0.991 942 A HN 0.625 nan 8.150 nan 0.000 0.502 943 Q N 0.831 120.270 119.800 -0.601 0.000 2.348 943 Q HA 0.512 4.852 4.340 -0.001 0.000 0.271 943 Q C 1.031 176.894 176.000 -0.229 0.000 1.067 943 Q CA -0.196 55.428 55.803 -0.300 0.000 0.839 943 Q CB 1.940 30.570 28.738 -0.179 0.000 1.354 943 Q HN 0.812 nan 8.270 nan 0.000 0.447 944 G N 0.410 109.115 108.800 -0.158 0.000 2.777 944 G HA2 -0.052 3.907 3.960 -0.001 0.000 0.211 944 G HA3 -0.052 3.907 3.960 -0.001 0.000 0.211 944 G C 0.196 175.055 174.900 -0.069 0.000 1.149 944 G CA 0.534 45.558 45.100 -0.127 0.000 0.785 944 G HN 0.474 nan 8.290 nan 0.000 0.536 945 Q N -1.388 118.390 119.800 -0.037 0.000 2.527 945 Q HA 0.521 4.861 4.340 -0.001 0.000 0.280 945 Q C -2.412 173.603 176.000 0.024 0.000 0.977 945 Q CA -0.945 54.855 55.803 -0.006 0.000 0.837 945 Q CB 1.931 30.652 28.738 -0.028 0.000 1.454 945 Q HN 0.023 nan 8.270 nan 0.000 0.387 946 F N 1.387 121.234 119.950 -0.173 0.000 2.569 946 F HA 0.644 5.171 4.527 -0.001 0.000 0.312 946 F C 0.458 175.997 175.800 -0.435 0.000 1.109 946 F CA 0.429 58.263 58.000 -0.277 0.000 0.919 946 F CB 2.095 40.944 39.000 -0.251 0.000 1.211 946 F HN 0.699 nan 8.300 nan 0.000 0.446 947 G N 3.055 110.848 108.800 -1.678 0.000 2.141 947 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.242 947 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.242 947 G C 1.040 175.260 174.900 -1.133 0.000 0.982 947 G CA 0.283 44.134 45.100 -2.082 0.000 0.662 947 G HN 1.605 nan 8.290 nan 0.000 0.527 948 G N 1.070 109.497 108.800 -0.621 0.000 2.479 948 G HA2 0.013 3.973 3.960 -0.001 0.000 0.220 948 G HA3 0.013 3.973 3.960 -0.001 0.000 0.220 948 G C 1.253 176.084 174.900 -0.116 0.000 1.115 948 G CA 1.725 46.693 45.100 -0.221 0.000 0.757 948 G HN 0.830 nan 8.290 nan 0.000 0.560 949 D N -0.699 119.546 120.400 -0.259 0.000 2.349 949 D HA 0.003 4.642 4.640 -0.001 0.000 0.214 949 D C -0.041 176.254 176.300 -0.009 0.000 1.063 949 D CA -0.417 53.528 54.000 -0.092 0.000 0.847 949 D CB -0.396 40.355 40.800 -0.080 0.000 0.933 949 D HN 0.165 nan 8.370 nan 0.000 0.513 950 H N 1.867 120.823 119.070 -0.190 0.000 2.732 950 H HA 0.319 4.874 4.556 -0.001 0.000 0.351 950 H C -1.968 173.319 175.328 -0.068 0.000 1.090 950 H CA -1.929 54.028 56.048 -0.152 0.000 1.431 950 H CB 0.060 29.678 29.762 -0.239 0.000 1.447 950 H HN 0.038 nan 8.280 nan 0.000 0.582 951 P HA -0.003 nan 4.420 nan 0.000 0.268 951 P C -0.214 177.143 177.300 0.095 0.000 1.205 951 P CA -0.035 63.117 63.100 0.086 0.000 0.771 951 P CB 0.711 32.441 31.700 0.050 0.000 0.858 952 S N 2.357 118.144 115.700 0.144 0.000 2.466 952 S HA 0.558 5.027 4.470 -0.001 0.000 0.313 952 S C 0.076 174.773 174.600 0.162 0.000 1.078 952 S CA -0.605 57.708 58.200 0.189 0.000 1.115 952 S CB -0.763 62.645 63.200 0.346 0.000 1.006 952 S HN 0.495 nan 8.310 nan 0.000 0.487 953 A N 4.188 127.099 122.820 0.151 0.000 2.406 953 A HA 0.456 4.776 4.320 -0.001 0.000 0.243 953 A C 0.564 178.222 177.584 0.122 0.000 1.082 953 A CA -0.424 51.688 52.037 0.125 0.000 0.786 953 A CB 0.117 19.189 19.000 0.120 0.000 1.029 953 A HN 0.913 nan 8.150 nan 0.000 0.495 954 R N 0.217 120.763 120.500 0.078 0.000 2.638 954 R HA -0.026 4.314 4.340 -0.001 0.000 0.268 954 R C 1.532 177.856 176.300 0.039 0.000 1.006 954 R CA 1.015 57.142 56.100 0.045 0.000 1.088 954 R CB 0.308 30.620 30.300 0.021 0.000 0.950 954 R HN 0.910 nan 8.270 nan 0.000 0.419 955 E N 2.069 122.259 120.200 -0.017 0.000 2.219 955 E HA -0.274 4.075 4.350 -0.001 0.000 0.198 955 E C 0.250 176.891 176.600 0.067 0.000 0.998 955 E CA 1.730 58.098 56.400 -0.052 0.000 0.818 955 E CB -0.138 29.517 29.700 -0.074 0.000 0.741 955 E HN 0.813 nan 8.360 nan 0.000 0.477 956 D N 0.567 120.970 120.400 0.006 0.000 2.340 956 D HA 0.012 4.652 4.640 -0.001 0.000 0.220 956 D C 0.331 176.633 176.300 0.004 0.000 1.039 956 D CA -0.154 53.808 54.000 -0.064 0.000 0.866 956 D CB -0.024 40.683 40.800 -0.155 0.000 0.913 956 D HN 0.192 nan 8.370 nan 0.000 0.523 957 L N 0.704 121.978 121.223 0.086 0.000 2.317 957 L HA 0.566 4.905 4.340 -0.001 0.000 0.281 957 L C -1.253 175.749 176.870 0.220 0.000 1.024 957 L CA -0.471 54.438 54.840 0.115 0.000 0.810 957 L CB 1.772 43.885 42.059 0.089 0.000 1.240 957 L HN -0.199 nan 8.230 nan 0.000 0.427 958 D N 2.406 122.957 120.400 0.251 0.000 2.732 958 D HA 0.383 5.023 4.640 -0.001 0.000 0.229 958 D C -1.447 175.021 176.300 0.279 0.000 1.152 958 D CA -0.275 53.898 54.000 0.289 0.000 0.854 958 D CB 2.412 43.430 40.800 0.363 0.000 1.590 958 D HN 0.243 nan 8.370 nan 0.000 0.468 959 V N 3.490 123.547 119.914 0.238 0.000 2.258 959 V HA 0.143 4.262 4.120 -0.001 0.000 0.258 959 V C 1.266 177.503 176.094 0.238 0.000 1.121 959 V CA -0.071 62.379 62.300 0.251 0.000 0.942 959 V CB 0.434 32.391 31.823 0.223 0.000 1.170 959 V HN 0.621 nan 8.190 nan 0.000 0.487 960 S N 2.855 118.725 115.700 0.283 0.000 2.383 960 S HA -0.039 4.430 4.470 -0.001 0.000 0.229 960 S C 0.740 175.405 174.600 0.109 0.000 1.030 960 S CA 1.052 59.373 58.200 0.202 0.000 1.002 960 S CB 0.144 63.523 63.200 0.300 0.000 0.829 960 S HN 0.510 nan 8.310 nan 0.000 0.467 964 R N 4.531 124.870 120.500 -0.267 0.000 2.442 964 R HA 0.176 4.515 4.340 -0.001 0.000 0.291 964 R C 0.270 176.464 176.300 -0.178 0.000 1.069 964 R CA 0.045 56.014 56.100 -0.219 0.000 1.022 964 R CB 0.600 30.828 30.300 -0.119 0.000 0.976 964 R HN 0.671 nan 8.270 nan 0.000 0.443 965 L N 3.071 124.181 121.223 -0.189 0.000 2.585 965 L HA 0.146 4.485 4.340 -0.001 0.000 0.226 965 L C 0.382 177.204 176.870 -0.079 0.000 1.113 965 L CA -0.002 54.749 54.840 -0.147 0.000 0.876 965 L CB 0.307 42.244 42.059 -0.204 0.000 1.072 965 L HN 0.704 nan 8.230 nan 0.000 0.468 966 T N -2.863 111.655 114.554 -0.060 0.000 2.887 966 T HA 0.464 4.813 4.350 -0.001 0.000 0.288 966 T C -0.253 174.443 174.700 -0.007 0.000 1.021 966 T CA -0.919 61.164 62.100 -0.029 0.000 1.000 966 T CB 2.429 71.286 68.868 -0.020 0.000 1.034 966 T HN -0.086 nan 8.240 nan 0.000 0.467 967 K N 0.863 121.264 120.400 0.003 0.000 2.098 967 K HA 0.346 4.665 4.320 -0.001 0.000 0.244 967 K C 1.712 178.328 176.600 0.028 0.000 1.014 967 K CA -0.267 56.032 56.287 0.021 0.000 0.917 967 K CB 0.691 33.201 32.500 0.017 0.000 1.072 967 K HN 0.809 nan 8.250 nan 0.000 0.477 968 S N -0.414 115.312 115.700 0.042 0.000 2.419 968 S HA -0.182 4.287 4.470 -0.001 0.000 0.235 968 S C 1.790 176.406 174.600 0.027 0.000 1.019 968 S CA 1.733 59.956 58.200 0.039 0.000 0.982 968 S CB -0.462 62.768 63.200 0.050 0.000 0.789 968 S HN 0.648 nan 8.310 nan 0.000 0.490 969 S N 1.694 117.408 115.700 0.024 0.000 2.515 969 S HA 0.396 4.866 4.470 -0.001 0.000 0.231 969 S C 0.820 175.428 174.600 0.013 0.000 0.987 969 S CA 0.116 58.327 58.200 0.019 0.000 0.936 969 S CB -0.676 62.534 63.200 0.017 0.000 0.766 969 S HN 0.817 nan 8.310 nan 0.000 0.528 970 A N 1.776 124.602 122.820 0.011 0.000 2.404 970 A HA 0.398 4.718 4.320 -0.001 0.000 0.273 970 A C 1.112 178.703 177.584 0.011 0.000 1.144 970 A CA -0.551 51.490 52.037 0.007 0.000 0.806 970 A CB 0.192 19.193 19.000 0.002 0.000 1.080 970 A HN 0.422 nan 8.150 nan 0.000 0.509 971 K N 1.178 121.584 120.400 0.009 0.000 2.063 971 K HA -0.093 4.227 4.320 -0.001 0.000 0.208 971 K C 0.147 176.757 176.600 0.016 0.000 1.048 971 K CA 1.636 57.930 56.287 0.012 0.000 0.928 971 K CB -0.074 32.431 32.500 0.007 0.000 0.713 971 K HN 0.672 nan 8.250 nan 0.000 0.442 972 T N 2.276 116.837 114.554 0.012 0.000 2.770 972 T HA 0.166 4.515 4.350 -0.001 0.000 0.297 972 T C -0.487 174.226 174.700 0.022 0.000 0.997 972 T CA -0.629 61.480 62.100 0.015 0.000 0.949 972 T CB 1.306 70.174 68.868 0.000 0.000 0.941 972 T HN -0.017 nan 8.240 nan 0.000 0.457 973 Q N 2.769 122.599 119.800 0.051 0.000 2.340 973 Q HA 0.396 4.735 4.340 -0.001 0.000 0.249 973 Q C 0.088 176.137 176.000 0.082 0.000 0.957 973 Q CA 0.057 55.895 55.803 0.058 0.000 0.882 973 Q CB 1.317 30.095 28.738 0.067 0.000 1.235 973 Q HN 0.545 nan 8.270 nan 0.000 0.439 974 R N 0.402 120.919 120.500 0.029 0.000 2.621 974 R HA 0.658 4.998 4.340 -0.001 0.000 0.292 974 R C -1.058 175.198 176.300 -0.074 0.000 0.969 974 R CA -0.683 55.416 56.100 -0.002 0.000 0.887 974 R CB 1.828 32.096 30.300 -0.054 0.000 1.180 974 R HN 0.250 nan 8.270 nan 0.000 0.450 975 V N 1.565 121.431 119.914 -0.081 0.000 2.531 975 V HA 0.584 4.703 4.120 -0.001 0.000 0.301 975 V C 0.190 176.016 176.094 -0.446 0.000 1.034 975 V CA -0.828 61.301 62.300 -0.286 0.000 0.865 975 V CB 2.019 33.686 31.823 -0.261 0.000 0.995 975 V HN 0.951 nan 8.190 nan 0.000 0.424 976 G N 3.030 111.373 108.800 -0.761 0.000 2.389 976 G HA2 0.672 4.631 3.960 -0.001 0.000 0.328 976 G HA3 0.672 4.631 3.960 -0.001 0.000 0.328 976 G C -1.665 172.840 174.900 -0.659 0.000 1.133 976 G CA -0.299 44.210 45.100 -0.984 0.000 0.891 976 G HN 0.501 nan 8.290 nan 0.000 0.485 977 Y N 0.109 120.508 120.300 0.165 0.000 2.442 977 Y HA 0.486 5.036 4.550 -0.001 0.000 0.344 977 Y C -0.195 175.976 175.900 0.452 0.000 0.976 977 Y CA -0.910 57.372 58.100 0.303 0.000 1.040 977 Y CB 2.802 41.398 38.460 0.228 0.000 1.228 977 Y HN 0.348 nan 8.280 nan 0.000 0.451 978 V N 5.017 125.230 119.914 0.500 0.000 2.357 978 V HA 0.366 4.485 4.120 -0.001 0.000 0.284 978 V C -0.705 175.618 176.094 0.382 0.000 1.018 978 V CA -0.726 61.790 62.300 0.360 0.000 0.841 978 V CB 1.418 33.405 31.823 0.274 0.000 0.991 978 V HN 0.540 nan 8.190 nan 0.000 0.437 979 L N 5.233 126.667 121.223 0.351 0.000 2.296 979 L HA 0.561 4.900 4.340 -0.001 0.000 0.286 979 L C -0.335 176.733 176.870 0.329 0.000 1.023 979 L CA -0.206 54.835 54.840 0.335 0.000 0.812 979 L CB 1.417 43.672 42.059 0.326 0.000 1.223 979 L HN 0.691 nan 8.230 nan 0.000 0.421 980 H N 4.643 123.869 119.070 0.259 0.000 2.529 980 H HA 0.390 4.946 4.556 -0.001 0.000 0.348 980 H C -1.158 174.261 175.328 0.151 0.000 1.079 980 H CA -0.734 55.435 56.048 0.203 0.000 1.198 980 H CB 2.185 32.128 29.762 0.302 0.000 1.521 980 H HN 0.592 nan 8.280 nan 0.000 0.514 981 R N 3.929 124.057 120.500 -0.619 0.000 2.393 981 R HA 0.232 4.571 4.340 -0.001 0.000 0.315 981 R C -0.487 175.396 176.300 -0.695 0.000 0.952 981 R CA -0.405 55.433 56.100 -0.436 0.000 0.842 981 R CB 1.650 31.818 30.300 -0.220 0.000 1.163 981 R HN 0.659 nan 8.270 nan 0.000 0.450 982 T N 1.560 115.863 114.554 -0.418 0.000 2.833 982 T HA 0.229 4.578 4.350 -0.001 0.000 0.292 982 T C -0.587 173.947 174.700 -0.278 0.000 1.031 982 T CA -0.509 61.436 62.100 -0.259 0.000 0.937 982 T CB 0.654 69.456 68.868 -0.111 0.000 1.256 982 T HN 0.675 nan 8.240 nan 0.000 0.551 983 N N 0.586 119.147 118.700 -0.232 0.000 2.448 983 N HA 0.496 5.236 4.740 -0.001 0.000 0.279 983 N C -1.108 174.250 175.510 -0.252 0.000 1.025 983 N CA -0.497 52.360 53.050 -0.322 0.000 0.898 983 N CB 0.636 38.778 38.487 -0.576 0.000 1.303 983 N HN 0.494 nan 8.380 nan 0.000 0.495 987 c N 1.528 120.080 118.600 -0.079 0.000 2.976 987 c HA 0.680 5.249 4.570 -0.001 0.000 0.274 987 c C 1.429 175.484 174.090 -0.058 0.000 1.487 987 c CA 0.302 56.589 56.329 -0.071 0.000 1.789 987 c CB -0.312 42.152 42.510 -0.077 0.000 2.771 987 c HN 1.229 nan 8.230 nan 0.000 0.551 988 G N 1.273 110.039 108.800 -0.056 0.000 2.144 988 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.218 988 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.218 988 G C -0.055 174.816 174.900 -0.048 0.000 0.988 988 G CA 0.227 45.298 45.100 -0.049 0.000 0.659 988 G HN 0.431 nan 8.290 nan 0.000 0.522 989 T N 1.818 116.341 114.554 -0.051 0.000 2.744 989 T HA 0.481 4.830 4.350 -0.001 0.000 0.291 989 T C -0.521 174.147 174.700 -0.053 0.000 0.957 989 T CA -0.637 61.434 62.100 -0.049 0.000 1.002 989 T CB 1.968 70.808 68.868 -0.046 0.000 0.919 989 T HN -0.017 nan 8.240 nan 0.000 0.468 990 P HA -0.169 nan 4.420 nan 0.000 0.216 990 P C -0.230 177.027 177.300 -0.071 0.000 1.167 990 P CA 0.893 63.953 63.100 -0.067 0.000 0.914 990 P CB -0.057 31.596 31.700 -0.079 0.000 0.793 991 E N -0.697 119.461 120.200 -0.071 0.000 3.702 991 E HA -0.194 4.155 4.350 -0.001 0.000 0.159 991 E C -0.201 176.359 176.600 -0.067 0.000 1.963 991 E CA 0.354 56.722 56.400 -0.053 0.000 0.824 991 E CB -1.059 28.619 29.700 -0.036 0.000 1.065 991 E HN 0.459 nan 8.360 nan 0.000 0.346 992 E N 0.725 120.844 120.200 -0.134 0.000 2.762 992 E HA 0.260 4.609 4.350 -0.001 0.000 0.193 992 E C -0.411 176.213 176.600 0.040 0.000 0.700 992 E CA -0.702 55.609 56.400 -0.148 0.000 1.196 992 E CB 0.310 29.834 29.700 -0.293 0.000 1.804 992 E HN 0.651 nan 8.360 nan 0.000 0.381 993 H N 0.301 119.366 119.070 -0.008 0.000 1.768 993 H HA -0.156 4.399 4.556 -0.001 0.000 0.305 993 H C -1.135 174.203 175.328 0.018 0.000 0.768 993 H CA 0.190 56.238 56.048 0.000 0.000 1.023 993 H CB -1.747 28.011 29.762 -0.007 0.000 1.484 993 H HN 0.355 nan 8.280 nan 0.000 0.250 994 T N 1.238 115.886 114.554 0.156 0.000 2.956 994 T HA 0.440 4.790 4.350 -0.001 0.000 0.312 994 T C -0.554 174.192 174.700 0.076 0.000 1.151 994 T CA -1.213 60.952 62.100 0.107 0.000 1.024 994 T CB 2.772 71.695 68.868 0.092 0.000 1.140 994 T HN 0.656 nan 8.240 nan 0.000 0.473 995 Q N 1.470 121.315 119.800 0.075 0.000 2.214 995 Q HA 0.479 4.818 4.340 -0.001 0.000 0.251 995 Q C -0.301 175.722 176.000 0.038 0.000 0.936 995 Q CA -1.300 54.534 55.803 0.052 0.000 0.894 995 Q CB 1.213 29.986 28.738 0.059 0.000 1.252 995 Q HN 0.376 nan 8.270 nan 0.000 0.448 996 K N 1.567 121.976 120.400 0.015 0.000 2.401 996 K HA 0.129 4.449 4.320 -0.001 0.000 0.278 996 K C -0.617 175.979 176.600 -0.006 0.000 1.018 996 K CA -0.279 56.008 56.287 -0.001 0.000 0.981 996 K CB 0.315 32.803 32.500 -0.020 0.000 0.933 996 K HN 0.388 nan 8.250 nan 0.000 0.477 997 L N 3.335 124.552 121.223 -0.010 0.000 2.265 997 L HA 0.231 4.570 4.340 -0.001 0.000 0.289 997 L C -0.642 176.184 176.870 -0.072 0.000 1.033 997 L CA -0.161 54.665 54.840 -0.024 0.000 0.814 997 L CB 0.860 42.920 42.059 0.001 0.000 1.203 997 L HN 0.412 nan 8.230 nan 0.000 0.423 998 D N 3.574 123.922 120.400 -0.087 0.000 2.472 998 D HA 0.146 4.785 4.640 -0.001 0.000 0.234 998 D C 1.127 177.328 176.300 -0.165 0.000 1.088 998 D CA -0.242 53.684 54.000 -0.123 0.000 0.882 998 D CB 1.190 41.949 40.800 -0.070 0.000 1.037 998 D HN 0.387 nan 8.370 nan 0.000 0.520 999 V N 1.299 121.022 119.914 -0.318 0.000 2.568 999 V HA -0.200 3.920 4.120 -0.001 0.000 0.253 999 V C 2.151 177.928 176.094 -0.528 0.000 1.072 999 V CA 1.112 63.045 62.300 -0.612 0.000 1.084 999 V CB -1.091 30.121 31.823 -1.018 0.000 0.676 999 V HN 0.593 nan 8.190 nan 0.000 0.469 1000 c N 0.465 118.902 118.600 -0.271 0.000 2.437 1000 c HA 0.027 4.596 4.570 -0.001 0.000 0.283 1000 c C 2.072 176.092 174.090 -0.116 0.000 1.424 1000 c CA 1.237 57.489 56.329 -0.128 0.000 1.782 1000 c CB -1.798 40.634 42.510 -0.130 0.000 1.833 1000 c HN 0.780 nan 8.230 nan 0.000 0.532 1001 H N -1.122 117.919 119.070 -0.048 0.000 2.542 1001 H HA 0.273 4.828 4.556 -0.001 0.000 0.283 1001 H C 1.670 177.025 175.328 0.046 0.000 1.059 1001 H CA -0.015 56.047 56.048 0.023 0.000 1.162 1001 H CB 0.062 29.819 29.762 -0.008 0.000 1.539 1001 H HN 0.331 nan 8.280 nan 0.000 0.543 1002 L N -0.162 121.117 121.223 0.093 0.000 2.141 1002 L HA -0.007 4.333 4.340 -0.001 0.000 0.209 1002 L C 0.170 177.174 176.870 0.224 0.000 1.094 1002 L CA 0.918 55.837 54.840 0.131 0.000 0.763 1002 L CB 0.130 42.235 42.059 0.078 0.000 0.908 1002 L HN 0.206 nan 8.230 nan 0.000 0.437 1003 L N 0.258 121.567 121.223 0.142 0.000 2.334 1003 L HA 0.397 4.736 4.340 -0.001 0.000 0.276 1003 L C -2.066 174.822 176.870 0.031 0.000 1.014 1003 L CA -1.999 52.846 54.840 0.008 0.000 0.815 1003 L CB 1.749 43.580 42.059 -0.380 0.000 1.268 1003 L HN -0.195 nan 8.230 nan 0.000 0.428 1004 P HA 0.090 nan 4.420 nan 0.000 0.274 1004 P C -0.844 176.547 177.300 0.151 0.000 1.256 1004 P CA -0.206 62.945 63.100 0.086 0.000 0.795 1004 P CB 0.404 32.139 31.700 0.058 0.000 1.038 1005 N N -3.043 115.733 118.700 0.128 0.000 2.740 1005 N HA -0.150 4.589 4.740 -0.001 0.000 0.248 1005 N C -0.003 175.589 175.510 0.136 0.000 1.062 1005 N CA -0.050 53.071 53.050 0.118 0.000 0.704 1005 N CB -1.799 36.750 38.487 0.103 0.000 0.968 1005 N HN 0.264 nan 8.380 nan 0.000 0.547 1006 V N 0.134 120.078 119.914 0.050 0.000 2.521 1006 V HA 0.419 4.539 4.120 -0.001 0.000 0.286 1006 V C 1.208 177.199 176.094 -0.172 0.000 1.034 1006 V CA 0.967 63.139 62.300 -0.213 0.000 1.045 1006 V CB 1.176 32.765 31.823 -0.390 0.000 0.974 1006 V HN 0.426 nan 8.190 nan 0.000 0.480 1007 A N 7.355 130.055 122.820 -0.199 0.000 2.140 1007 A HA 0.441 4.761 4.320 -0.001 0.000 0.209 1007 A C 0.788 178.333 177.584 -0.066 0.000 1.181 1007 A CA 0.521 52.503 52.037 -0.093 0.000 0.824 1007 A CB 0.164 19.126 19.000 -0.062 0.000 0.879 1007 A HN 0.977 nan 8.150 nan 0.000 0.480 1008 R N -2.638 117.793 120.500 -0.115 0.000 2.687 1008 R HA 0.573 4.912 4.340 -0.001 0.000 0.265 1008 R C -1.746 174.504 176.300 -0.084 0.000 1.048 1008 R CA -0.467 55.614 56.100 -0.033 0.000 0.884 1008 R CB 0.433 30.795 30.300 0.103 0.000 1.258 1008 R HN 0.185 nan 8.270 nan 0.000 0.469 1009 c N 1.406 119.970 118.600 -0.060 0.000 2.431 1009 c HA 0.628 5.198 4.570 -0.001 0.000 0.321 1009 c C -1.109 173.009 174.090 0.046 0.000 1.202 1009 c CA -0.014 56.297 56.329 -0.030 0.000 1.398 1009 c CB 1.130 43.593 42.510 -0.078 0.000 2.047 1009 c HN 0.956 nan 8.230 nan 0.000 0.465 1010 E N 3.103 123.387 120.200 0.141 0.000 2.293 1010 E HA 0.435 4.785 4.350 -0.001 0.000 0.270 1010 E C -1.035 175.725 176.600 0.266 0.000 0.879 1010 E CA -0.682 55.830 56.400 0.186 0.000 0.756 1010 E CB 1.933 31.730 29.700 0.162 0.000 1.208 1010 E HN 0.637 nan 8.360 nan 0.000 0.428 1011 R N 1.664 122.300 120.500 0.226 0.000 2.357 1011 R HA 0.361 4.701 4.340 -0.001 0.000 0.296 1011 R C -0.578 175.753 176.300 0.052 0.000 1.052 1011 R CA 0.096 56.262 56.100 0.109 0.000 0.988 1011 R CB 0.784 31.125 30.300 0.068 0.000 1.025 1011 R HN 0.744 nan 8.270 nan 0.000 0.469 1012 T N -0.383 114.178 114.554 0.012 0.000 2.864 1012 T HA 0.358 4.707 4.350 -0.001 0.000 0.289 1012 T C 0.085 174.774 174.700 -0.018 0.000 1.082 1012 T CA -0.791 61.339 62.100 0.050 0.000 1.009 1012 T CB 1.365 70.335 68.868 0.170 0.000 1.234 1012 T HN 0.591 nan 8.240 nan 0.000 0.526 1013 T N 0.231 114.778 114.554 -0.011 0.000 2.802 1013 T HA 0.274 4.624 4.350 -0.001 0.000 0.305 1013 T C 1.664 176.288 174.700 -0.127 0.000 1.053 1013 T CA -0.809 61.260 62.100 -0.052 0.000 1.058 1013 T CB -0.012 68.844 68.868 -0.021 0.000 0.988 1013 T HN 0.566 nan 8.240 nan 0.000 0.539 1014 L N 1.021 122.150 121.223 -0.156 0.000 2.353 1014 L HA -0.061 4.278 4.340 -0.001 0.000 0.220 1014 L C 2.778 179.357 176.870 -0.484 0.000 1.133 1014 L CA 1.462 56.141 54.840 -0.269 0.000 0.798 1014 L CB -1.133 40.849 42.059 -0.128 0.000 0.922 1014 L HN 0.975 nan 8.230 nan 0.000 0.445 1015 T N -5.023 109.355 114.554 -0.293 0.000 3.107 1015 T HA 0.062 4.412 4.350 -0.001 0.000 0.249 1015 T C 0.855 175.471 174.700 -0.140 0.000 1.096 1015 T CA -0.208 61.755 62.100 -0.228 0.000 1.012 1015 T CB -0.261 68.596 68.868 -0.018 0.000 0.977 1015 T HN 0.324 nan 8.240 nan 0.000 0.527 1016 F N -0.662 119.305 119.950 0.028 0.000 2.794 1016 F HA -0.236 4.291 4.527 -0.001 0.000 0.335 1016 F C 1.174 176.980 175.800 0.010 0.000 0.653 1016 F CA 0.151 58.161 58.000 0.017 0.000 1.266 1016 F CB -2.078 36.928 39.000 0.011 0.000 1.666 1016 F HN 0.199 nan 8.300 nan 0.000 0.314 1017 L N -0.524 120.783 121.223 0.140 0.000 2.418 1017 L HA 0.027 4.366 4.340 -0.001 0.000 0.218 1017 L C 1.071 177.971 176.870 0.050 0.000 1.125 1017 L CA 1.160 56.050 54.840 0.083 0.000 0.835 1017 L CB -0.009 42.081 42.059 0.052 0.000 0.953 1017 L HN 0.323 nan 8.230 nan 0.000 0.454 1018 Q N 0.431 120.259 119.800 0.047 0.000 2.323 1018 Q HA 0.272 4.611 4.340 -0.001 0.000 0.271 1018 Q C -1.174 174.850 176.000 0.040 0.000 1.048 1018 Q CA -0.709 55.111 55.803 0.027 0.000 0.792 1018 Q CB 1.900 30.639 28.738 0.001 0.000 1.280 1018 Q HN 0.098 nan 8.270 nan 0.000 0.441 1019 N N 4.540 123.263 118.700 0.038 0.000 2.458 1019 N HA 0.190 4.930 4.740 -0.001 0.000 0.270 1019 N C 0.299 175.832 175.510 0.039 0.000 1.102 1019 N CA 0.176 53.257 53.050 0.052 0.000 0.967 1019 N CB 1.154 39.672 38.487 0.052 0.000 1.078 1019 N HN 0.640 nan 8.380 nan 0.000 0.471 1020 L N 0.808 122.058 121.223 0.043 0.000 2.470 1020 L HA 0.274 4.613 4.340 -0.001 0.000 0.219 1020 L C 0.177 177.078 176.870 0.050 0.000 1.071 1020 L CA 0.648 55.506 54.840 0.031 0.000 0.850 1020 L CB 0.238 42.303 42.059 0.010 0.000 1.040 1020 L HN 0.399 nan 8.230 nan 0.000 0.475 1021 E N -1.302 118.946 120.200 0.080 0.000 2.335 1021 E HA 0.220 4.569 4.350 -0.001 0.000 0.280 1021 E C -1.490 175.203 176.600 0.154 0.000 0.918 1021 E CA -0.628 55.834 56.400 0.105 0.000 0.765 1021 E CB 2.187 31.943 29.700 0.093 0.000 1.218 1021 E HN -0.031 nan 8.360 nan 0.000 0.425 1022 H N 3.189 122.287 119.070 0.046 0.000 2.640 1022 H HA 0.327 4.882 4.556 -0.001 0.000 0.297 1022 H C -0.994 174.361 175.328 0.045 0.000 1.073 1022 H CA -0.294 55.779 56.048 0.041 0.000 1.305 1022 H CB 0.267 30.043 29.762 0.023 0.000 1.404 1022 H HN 0.299 nan 8.280 nan 0.000 0.459 1023 L N 4.990 126.073 121.223 -0.232 0.000 2.281 1023 L HA 0.188 4.528 4.340 -0.001 0.000 0.285 1023 L C 0.184 176.878 176.870 -0.293 0.000 1.074 1023 L CA -0.678 54.052 54.840 -0.183 0.000 0.817 1023 L CB 0.561 42.575 42.059 -0.075 0.000 1.168 1023 L HN 0.633 nan 8.230 nan 0.000 0.434 1024 D N 2.667 122.963 120.400 -0.172 0.000 2.399 1024 D HA 0.396 5.035 4.640 -0.001 0.000 0.241 1024 D C 0.729 176.979 176.300 -0.084 0.000 1.133 1024 D CA 0.986 54.911 54.000 -0.125 0.000 0.890 1024 D CB 1.168 41.937 40.800 -0.053 0.000 1.201 1024 D HN 0.770 nan 8.370 nan 0.000 0.432 1028 A N 7.013 129.672 122.820 -0.267 0.000 2.343 1028 A HA 0.786 5.106 4.320 -0.001 0.000 0.305 1028 A C -1.989 175.311 177.584 -0.473 0.000 1.308 1028 A CA -1.308 50.344 52.037 -0.641 0.000 0.949 1028 A CB 0.156 18.512 19.000 -1.074 0.000 1.148 1028 A HN 0.531 nan 8.150 nan 0.000 0.545 1029 P HA 0.133 nan 4.420 nan 0.000 0.271 1029 P C -0.263 177.020 177.300 -0.027 0.000 1.218 1029 P CA -0.080 62.962 63.100 -0.096 0.000 0.780 1029 P CB 0.813 32.509 31.700 -0.008 0.000 0.901 1030 E N 0.212 120.411 120.200 -0.003 0.000 2.409 1030 E HA 0.195 4.545 4.350 -0.001 0.000 0.257 1030 E C 0.349 177.000 176.600 0.085 0.000 1.150 1030 E CA -0.678 55.749 56.400 0.046 0.000 0.942 1030 E CB 0.425 30.136 29.700 0.018 0.000 0.979 1030 E HN 0.331 nan 8.360 nan 0.000 0.447 1031 V N -1.437 118.532 119.914 0.091 0.000 3.109 1031 V HA 0.344 4.464 4.120 -0.001 0.000 0.317 1031 V C 0.194 176.293 176.094 0.008 0.000 1.074 1031 V CA -1.080 61.260 62.300 0.067 0.000 1.033 1031 V CB 1.208 33.073 31.823 0.070 0.000 1.111 1031 V HN 0.741 nan 8.190 nan 0.000 0.458 1032 c N 2.325 120.924 118.600 -0.001 0.000 2.500 1032 c HA 0.509 5.079 4.570 -0.001 0.000 0.367 1032 c C -1.676 172.362 174.090 -0.086 0.000 1.283 1032 c CA -0.298 56.014 56.329 -0.030 0.000 2.456 1032 c CB 0.189 42.699 42.510 -0.000 0.000 2.457 1032 c HN 0.845 nan 8.230 nan 0.000 0.632 1036 T N 1.269 115.905 114.554 0.136 0.000 2.881 1036 T HA 0.808 5.157 4.350 -0.001 0.000 0.290 1036 T C -1.188 173.521 174.700 0.016 0.000 1.000 1036 T CA -0.158 62.027 62.100 0.142 0.000 0.978 1036 T CB 1.432 70.398 68.868 0.164 0.000 0.997 1036 T HN 0.630 nan 8.240 nan 0.000 0.443 1037 A N 1.949 124.781 122.820 0.019 0.000 2.515 1037 A HA 1.003 5.322 4.320 -0.001 0.000 0.296 1037 A C -1.056 176.423 177.584 -0.174 0.000 1.094 1037 A CA -0.941 51.011 52.037 -0.143 0.000 0.718 1037 A CB 1.546 20.413 19.000 -0.223 0.000 1.307 1037 A HN 1.112 nan 8.150 nan 0.000 0.408 1038 A N 0.255 122.882 122.820 -0.321 0.000 2.365 1038 A HA 0.824 5.144 4.320 -0.001 0.000 0.318 1038 A C -1.495 175.933 177.584 -0.259 0.000 1.091 1038 A CA -0.356 51.616 52.037 -0.110 0.000 0.763 1038 A CB 0.742 19.701 19.000 -0.068 0.000 1.248 1038 A HN 0.851 nan 8.150 nan 0.000 0.442 1039 Y N 0.130 120.649 120.300 0.365 0.000 2.512 1039 Y HA 0.588 5.137 4.550 -0.001 0.000 0.348 1039 Y C -0.284 175.786 175.900 0.283 0.000 0.990 1039 Y CA -0.933 57.331 58.100 0.272 0.000 1.033 1039 Y CB 2.634 41.210 38.460 0.193 0.000 1.259 1039 Y HN 0.417 nan 8.280 nan 0.000 0.461 1040 V N 2.287 122.399 119.914 0.329 0.000 2.483 1040 V HA 0.447 4.566 4.120 -0.001 0.000 0.297 1040 V C -0.761 175.408 176.094 0.124 0.000 1.027 1040 V CA -0.904 61.482 62.300 0.143 0.000 0.855 1040 V CB 1.786 33.631 31.823 0.038 0.000 0.995 1040 V HN 0.820 nan 8.190 nan 0.000 0.424 1041 S N 3.338 119.112 115.700 0.124 0.000 2.489 1041 S HA 0.723 5.193 4.470 -0.001 0.000 0.291 1041 S C -0.235 174.259 174.600 -0.176 0.000 1.151 1041 S CA -0.605 57.585 58.200 -0.017 0.000 1.082 1041 S CB 1.631 64.896 63.200 0.108 0.000 1.019 1041 S HN 0.552 nan 8.310 nan 0.000 0.492 1042 S N 2.542 118.030 115.700 -0.353 0.000 2.475 1042 S HA 0.505 4.974 4.470 -0.001 0.000 0.298 1042 S C -0.838 173.410 174.600 -0.586 0.000 1.119 1042 S CA -0.768 57.258 58.200 -0.291 0.000 1.085 1042 S CB 0.427 63.550 63.200 -0.127 0.000 1.028 1042 S HN 0.775 nan 8.310 nan 0.000 0.489 1043 H N 1.057 120.115 119.070 -0.020 0.000 2.589 1043 H HA 0.411 4.967 4.556 -0.001 0.000 0.351 1043 H C -0.034 175.288 175.328 -0.011 0.000 1.074 1043 H CA -0.589 55.448 56.048 -0.019 0.000 1.203 1043 H CB 1.716 31.467 29.762 -0.018 0.000 1.558 1043 H HN 0.680 nan 8.280 nan 0.000 0.522 1044 S N 0.000 115.743 115.700 0.072 0.000 2.498 1044 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 1044 S CA 0.000 58.227 58.200 0.045 0.000 1.107 1044 S CB 0.000 63.214 63.200 0.024 0.000 0.593 1044 S HN 0.000 nan 8.310 nan 0.000 0.517