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 2vxo_1_B DATA FIRST_RESID 23 DATA SEQUENCE HYEGAVVILD AGAQYGKVID RRVRELFVQS EIFPLETPAF AIKEQGFRAI DATA SEQUENCE IISGGPNSVY AEDAPWFDPA IFTIGKPVLG ICYGMQMMNK VFGGTVHKKS DATA SEQUENCE XXXDGVFNIS VDNTCSLFRG LQKEEVVLLT HGDSVDKVAD GFKVVARSGN DATA SEQUENCE IVAGIANESK KLYGAQFHPE VGLTENGKVI LKNFLYDIAG CSGTFTVQNR DATA SEQUENCE ELECIREIKE RVGTSKVLVL LSGGVDSTVC TALLNRALNQ EQVIAVHIDN DATA SEQUENCE GFMRKRESQS VEEALKKLGI QVKVINAAHS FYNGTTTLPX XXXXXXXXXR DATA SEQUENCE ISKTLNMTTS PEEKRKIIGD TFVKIANEVI GEMNLKPEEV FLAQGTLRPD DATA SEQUENCE LIESASLVAS GKAELIKTHH NDTELIRKLR EEGKVIEPLK DFHKDEVRIL DATA SEQUENCE GRELGLPEEL VSRHPFPGPG LAIRVICAEE PYICKDFPET NNILKIVADF DATA SEQUENCE SASVKKPHTL LQRVKACTTE EDQEKLMQIT SLHSLNAFLL PIKTVGVQGD DATA SEQUENCE CRSYSYVCGI SSKDEPDWES LIFLARLIPR MCHNVNRVVY IFGPPVKEPP DATA SEQUENCE TDVTPTFLTT GVLSTLRQAD FEAHNILRES GYAGKISQMP VILTPLHFDR DATA SEQUENCE DPLQKQPSCQ RSVVIRTFIT SDFMTGIPAT PGNEIPVEVV LKMVTEIKKI DATA SEQUENCE PGISRIMYDL TSKPPGTTEW E 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 23 H HA 0.000 nan 4.556 nan 0.000 0.296 23 H C 0.000 175.021 175.328 -0.512 0.000 0.993 23 H CA 0.000 55.824 56.048 -0.373 0.000 1.023 23 H CB 0.000 29.507 29.762 -0.425 0.000 1.292 24 Y N 1.916 122.028 120.300 -0.314 0.000 2.578 24 Y HA 0.397 4.960 4.550 0.021 0.000 0.317 24 Y C 0.089 175.787 175.900 -0.337 0.000 0.940 24 Y CA -0.975 56.886 58.100 -0.399 0.000 1.174 24 Y CB 0.295 38.249 38.460 -0.844 0.000 1.198 24 Y HN 0.558 nan 8.280 nan 0.000 0.597 25 E N -0.216 119.929 120.200 -0.091 0.000 2.313 25 E HA 0.441 4.808 4.350 0.028 0.000 0.276 25 E C 0.913 177.493 176.600 -0.032 0.000 1.031 25 E CA 0.414 56.772 56.400 -0.070 0.000 0.857 25 E CB 1.104 30.762 29.700 -0.070 0.000 1.040 25 E HN 0.611 nan 8.360 nan 0.000 0.408 26 G N 1.717 110.497 108.800 -0.033 0.000 2.176 26 G HA2 -0.281 3.696 3.960 0.028 0.000 0.253 26 G HA3 -0.281 3.696 3.960 0.028 0.000 0.253 26 G C 0.209 175.092 174.900 -0.029 0.000 0.979 26 G CA 0.060 45.141 45.100 -0.031 0.000 0.641 26 G HN 0.746 nan 8.290 nan 0.000 0.530 27 A N -0.718 122.103 122.820 0.003 0.000 2.294 27 A HA 0.895 5.232 4.320 0.028 0.000 0.330 27 A C -0.149 177.517 177.584 0.138 0.000 1.133 27 A CA -0.156 51.904 52.037 0.038 0.000 0.836 27 A CB 2.097 21.146 19.000 0.083 0.000 1.190 27 A HN 1.118 nan 8.150 nan 0.000 0.492 28 V N 0.875 120.810 119.914 0.034 0.000 2.628 28 V HA 0.521 4.658 4.120 0.028 0.000 0.306 28 V C -0.448 175.417 176.094 -0.382 0.000 1.045 28 V CA -0.566 61.690 62.300 -0.074 0.000 0.905 28 V CB 1.729 33.515 31.823 -0.062 0.000 0.997 28 V HN 0.781 nan 8.190 nan 0.000 0.436 29 V N 6.583 126.062 119.914 -0.724 0.000 2.435 29 V HA 0.600 4.737 4.120 0.028 0.000 0.290 29 V C -0.478 175.285 176.094 -0.552 0.000 1.030 29 V CA -0.339 61.298 62.300 -1.105 0.000 0.881 29 V CB 1.605 32.181 31.823 -2.078 0.000 0.983 29 V HN 0.732 nan 8.190 nan 0.000 0.445 30 I N 7.433 127.757 120.570 -0.409 0.000 2.355 30 I HA 0.404 4.591 4.170 0.028 0.000 0.288 30 I C -0.598 175.430 176.117 -0.149 0.000 0.999 30 I CA -0.361 60.811 61.300 -0.214 0.000 1.163 30 I CB 1.530 39.455 38.000 -0.124 0.000 1.316 30 I HN 0.369 nan 8.210 nan 0.000 0.454 31 L N 5.740 126.884 121.223 -0.131 0.000 2.276 31 L HA 0.411 4.768 4.340 0.028 0.000 0.286 31 L C -0.582 176.264 176.870 -0.040 0.000 1.024 31 L CA -0.454 54.344 54.840 -0.069 0.000 0.826 31 L CB 0.998 42.994 42.059 -0.104 0.000 1.211 31 L HN 0.503 nan 8.230 nan 0.000 0.422 32 D N 2.204 122.602 120.400 -0.004 0.000 2.329 32 D HA 0.380 5.037 4.640 0.028 0.000 0.232 32 D C 0.681 176.978 176.300 -0.004 0.000 1.088 32 D CA -0.263 53.743 54.000 0.010 0.000 0.835 32 D CB 2.248 43.065 40.800 0.027 0.000 1.078 32 D HN 0.547 nan 8.370 nan 0.000 0.495 33 A N 3.190 125.990 122.820 -0.035 0.000 2.014 33 A HA 0.259 4.596 4.320 0.028 0.000 0.218 33 A C 1.284 178.792 177.584 -0.127 0.000 1.163 33 A CA 1.345 53.314 52.037 -0.115 0.000 0.652 33 A CB -0.268 18.532 19.000 -0.333 0.000 0.808 33 A HN 0.556 nan 8.150 nan 0.000 0.449 34 G N -2.692 106.062 108.800 -0.077 0.000 2.940 34 G HA2 0.488 4.465 3.960 0.028 0.000 0.164 34 G HA3 0.488 4.465 3.960 0.028 0.000 0.164 34 G C 0.564 175.449 174.900 -0.025 0.000 1.326 34 G CA 0.376 45.446 45.100 -0.050 0.000 1.020 34 G HN 0.775 nan 8.290 nan 0.000 0.586 35 A N -1.878 120.919 122.820 -0.039 0.000 2.600 35 A HA 0.331 4.669 4.320 0.028 0.000 0.252 35 A C 1.531 179.063 177.584 -0.087 0.000 1.200 35 A CA 0.742 52.752 52.037 -0.044 0.000 0.981 35 A CB 0.355 19.332 19.000 -0.039 0.000 1.207 35 A HN 0.502 nan 8.150 nan 0.000 0.577 36 Q N -1.307 118.397 119.800 -0.160 0.000 2.178 36 Q HA -0.014 4.343 4.340 0.028 0.000 0.195 36 Q C 1.121 176.889 176.000 -0.387 0.000 0.960 36 Q CA 1.258 56.843 55.803 -0.363 0.000 0.843 36 Q CB 0.035 28.389 28.738 -0.639 0.000 0.927 36 Q HN 0.674 nan 8.270 nan 0.000 0.487 37 Y N -0.634 119.665 120.300 -0.003 0.000 2.448 37 Y HA 0.208 4.776 4.550 0.029 0.000 0.289 37 Y C 2.158 178.066 175.900 0.013 0.000 1.114 37 Y CA 0.641 58.753 58.100 0.019 0.000 1.235 37 Y CB -0.478 38.033 38.460 0.085 0.000 1.045 37 Y HN 0.243 nan 8.280 nan 0.000 0.554 38 G N 0.917 109.786 108.800 0.115 0.000 2.529 38 G HA2 -0.415 3.562 3.960 0.028 0.000 0.219 38 G HA3 -0.415 3.562 3.960 0.028 0.000 0.219 38 G C 1.918 176.843 174.900 0.041 0.000 1.177 38 G CA 2.131 47.266 45.100 0.058 0.000 0.773 38 G HN 0.410 nan 8.290 nan 0.000 0.573 39 K N 0.041 120.455 120.400 0.025 0.000 2.155 39 K HA 0.309 4.646 4.320 0.028 0.000 0.203 39 K C 2.572 179.185 176.600 0.021 0.000 1.052 39 K CA 1.412 57.712 56.287 0.021 0.000 0.948 39 K CB -0.700 31.807 32.500 0.012 0.000 0.728 39 K HN 0.288 nan 8.250 nan 0.000 0.448 40 V N 0.992 120.925 119.914 0.032 0.000 2.379 40 V HA -0.140 3.998 4.120 0.028 0.000 0.245 40 V C 2.434 178.563 176.094 0.058 0.000 1.044 40 V CA 1.547 63.875 62.300 0.047 0.000 1.036 40 V CB -0.392 31.482 31.823 0.086 0.000 0.664 40 V HN 0.517 nan 8.190 nan 0.000 0.453 41 I N 0.740 121.356 120.570 0.076 0.000 2.226 41 I HA -0.267 3.920 4.170 0.028 0.000 0.245 41 I C 2.337 178.466 176.117 0.020 0.000 1.100 41 I CA 2.158 63.487 61.300 0.049 0.000 1.374 41 I CB -0.425 37.598 38.000 0.039 0.000 1.057 41 I HN 0.390 nan 8.210 nan 0.000 0.413 42 D N 0.845 121.254 120.400 0.016 0.000 2.097 42 D HA -0.230 4.427 4.640 0.028 0.000 0.195 42 D C 2.478 178.783 176.300 0.009 0.000 0.989 42 D CA 2.119 56.123 54.000 0.008 0.000 0.827 42 D CB 0.076 40.888 40.800 0.020 0.000 0.966 42 D HN 0.155 nan 8.370 nan 0.000 0.456 43 R N 0.732 121.229 120.500 -0.005 0.000 2.083 43 R HA -0.083 4.274 4.340 0.028 0.000 0.237 43 R C 2.405 178.690 176.300 -0.025 0.000 1.137 43 R CA 1.749 57.826 56.100 -0.039 0.000 0.951 43 R CB -1.335 28.931 30.300 -0.056 0.000 0.851 43 R HN 0.162 nan 8.270 nan 0.000 0.434 44 R N 0.209 120.706 120.500 -0.005 0.000 2.073 44 R HA -0.033 4.324 4.340 0.028 0.000 0.234 44 R C 2.440 178.736 176.300 -0.006 0.000 1.134 44 R CA 1.504 57.602 56.100 -0.003 0.000 0.952 44 R CB -1.106 29.209 30.300 0.024 0.000 0.850 44 R HN 0.379 nan 8.270 nan 0.000 0.433 45 V N 1.182 121.103 119.914 0.012 0.000 2.332 45 V HA -0.251 3.886 4.120 0.028 0.000 0.248 45 V C 2.628 178.739 176.094 0.028 0.000 1.055 45 V CA 1.908 64.222 62.300 0.024 0.000 1.038 45 V CB -0.554 31.275 31.823 0.011 0.000 0.651 45 V HN 0.317 nan 8.190 nan 0.000 0.450 46 R N -0.182 120.343 120.500 0.041 0.000 2.092 46 R HA -0.158 4.199 4.340 0.028 0.000 0.231 46 R C 2.239 178.521 176.300 -0.029 0.000 1.119 46 R CA 1.528 57.704 56.100 0.126 0.000 0.970 46 R CB -0.118 30.283 30.300 0.168 0.000 0.864 46 R HN 0.613 nan 8.270 nan 0.000 0.440 47 E N 0.073 120.195 120.200 -0.131 0.000 2.268 47 E HA -0.138 4.229 4.350 0.028 0.000 0.195 47 E C 1.304 177.516 176.600 -0.646 0.000 0.995 47 E CA 0.722 56.931 56.400 -0.318 0.000 0.836 47 E CB 0.110 29.701 29.700 -0.182 0.000 0.763 47 E HN 0.351 nan 8.360 nan 0.000 0.491 48 L N -0.096 120.920 121.223 -0.344 0.000 2.612 48 L HA 0.096 4.453 4.340 0.028 0.000 0.230 48 L C -0.358 176.516 176.870 0.005 0.000 1.140 48 L CA -0.212 54.500 54.840 -0.214 0.000 0.896 48 L CB 0.018 42.133 42.059 0.094 0.000 1.065 48 L HN 0.131 nan 8.230 nan 0.000 0.447 49 F N -2.368 117.729 119.950 0.245 0.000 3.018 49 F HA -0.207 4.337 4.527 0.027 0.000 0.287 49 F C -0.011 175.965 175.800 0.294 0.000 0.813 49 F CA -0.118 58.049 58.000 0.278 0.000 1.209 49 F CB -2.361 36.777 39.000 0.230 0.000 1.321 49 F HN -0.176 nan 8.300 nan 0.000 0.477 50 V N 0.363 120.457 119.914 0.301 0.000 2.555 50 V HA 0.357 4.494 4.120 0.028 0.000 0.302 50 V C 0.417 176.455 176.094 -0.093 0.000 1.038 50 V CA -1.093 61.277 62.300 0.116 0.000 0.887 50 V CB 1.955 33.778 31.823 -0.001 0.000 0.991 50 V HN 0.235 nan 8.190 nan 0.000 0.434 51 Q N 1.831 121.377 119.800 -0.424 0.000 2.332 51 Q HA 0.381 4.738 4.340 0.028 0.000 0.263 51 Q C -0.428 175.308 176.000 -0.440 0.000 0.979 51 Q CA 0.221 55.427 55.803 -0.995 0.000 0.885 51 Q CB 0.999 29.181 28.738 -0.926 0.000 1.218 51 Q HN 0.776 nan 8.270 nan 0.000 0.405 52 S N 2.828 118.291 115.700 -0.395 0.000 2.538 52 S HA 0.414 4.901 4.470 0.028 0.000 0.288 52 S C -1.608 172.879 174.600 -0.188 0.000 1.108 52 S CA -0.699 57.371 58.200 -0.218 0.000 0.971 52 S CB 1.172 64.294 63.200 -0.130 0.000 1.041 52 S HN 0.567 nan 8.310 nan 0.000 0.483 53 E N 2.913 122.971 120.200 -0.238 0.000 2.234 53 E HA 0.416 4.783 4.350 0.028 0.000 0.266 53 E C -0.878 175.643 176.600 -0.131 0.000 0.877 53 E CA -0.488 55.809 56.400 -0.170 0.000 0.758 53 E CB 1.820 31.349 29.700 -0.284 0.000 1.170 53 E HN 0.594 nan 8.360 nan 0.000 0.415 54 I N 2.753 123.365 120.570 0.070 0.000 2.331 54 I HA 0.329 4.516 4.170 0.028 0.000 0.292 54 I C -0.338 175.986 176.117 0.345 0.000 0.998 54 I CA -0.388 60.975 61.300 0.105 0.000 1.267 54 I CB 0.322 38.360 38.000 0.064 0.000 1.386 54 I HN 0.213 nan 8.210 nan 0.000 0.476 55 F N 6.354 126.233 119.950 -0.119 0.000 2.593 55 F HA 0.570 5.113 4.527 0.027 0.000 0.320 55 F C -2.239 173.532 175.800 -0.048 0.000 1.060 55 F CA -2.967 54.985 58.000 -0.081 0.000 0.940 55 F CB 1.358 40.284 39.000 -0.124 0.000 1.268 55 F HN 0.205 nan 8.300 nan 0.000 0.475 56 P HA 0.072 nan 4.420 nan 0.000 0.268 56 P C 0.937 178.301 177.300 0.107 0.000 1.205 56 P CA -0.106 63.037 63.100 0.073 0.000 0.771 56 P CB 0.663 32.390 31.700 0.045 0.000 0.858 57 L N 3.204 124.480 121.223 0.088 0.000 2.089 57 L HA -0.228 4.129 4.340 0.028 0.000 0.213 57 L C 1.838 178.800 176.870 0.154 0.000 1.079 57 L CA 1.969 56.863 54.840 0.091 0.000 0.758 57 L CB -0.871 41.247 42.059 0.097 0.000 0.891 57 L HN 0.463 nan 8.230 nan 0.000 0.433 58 E N -1.315 119.014 120.200 0.215 0.000 2.494 58 E HA -0.026 4.341 4.350 0.028 0.000 0.193 58 E C 0.190 176.976 176.600 0.310 0.000 1.074 58 E CA 0.158 56.763 56.400 0.341 0.000 0.867 58 E CB -1.182 28.780 29.700 0.438 0.000 0.924 58 E HN 0.387 nan 8.360 nan 0.000 0.502 59 T N 5.375 120.060 114.554 0.218 0.000 2.871 59 T HA 0.099 4.466 4.350 0.028 0.000 0.296 59 T C -2.226 172.606 174.700 0.220 0.000 0.998 59 T CA -0.636 61.599 62.100 0.224 0.000 1.162 59 T CB 0.616 69.652 68.868 0.280 0.000 0.947 59 T HN 0.230 nan 8.240 nan 0.000 0.536 60 P HA 0.237 nan 4.420 nan 0.000 0.275 60 P C 0.636 178.057 177.300 0.201 0.000 1.228 60 P CA -0.401 62.842 63.100 0.238 0.000 0.786 60 P CB 0.734 32.584 31.700 0.250 0.000 0.927 61 A N 2.941 125.864 122.820 0.173 0.000 1.917 61 A HA -0.248 4.089 4.320 0.028 0.000 0.219 61 A C 1.900 179.597 177.584 0.188 0.000 1.182 61 A CA 1.588 53.711 52.037 0.143 0.000 0.633 61 A CB -1.694 17.386 19.000 0.134 0.000 0.819 61 A HN 0.558 nan 8.150 nan 0.000 0.448 62 F N 0.431 120.436 119.950 0.092 0.000 2.259 62 F HA 0.060 4.605 4.527 0.029 0.000 0.298 62 F C 2.510 178.373 175.800 0.105 0.000 1.088 62 F CA 0.703 58.755 58.000 0.086 0.000 1.358 62 F CB -0.316 38.729 39.000 0.076 0.000 1.040 62 F HN 0.261 nan 8.300 nan 0.000 0.505 63 A N 0.630 123.572 122.820 0.205 0.000 1.858 63 A HA -0.174 4.163 4.320 0.028 0.000 0.216 63 A C 2.250 179.921 177.584 0.145 0.000 1.190 63 A CA 2.016 54.157 52.037 0.172 0.000 0.617 63 A CB -1.190 17.961 19.000 0.251 0.000 0.827 63 A HN 0.415 nan 8.150 nan 0.000 0.443 64 I N -0.458 120.213 120.570 0.168 0.000 2.163 64 I HA -0.309 3.878 4.170 0.028 0.000 0.243 64 I C 2.562 178.736 176.117 0.096 0.000 1.085 64 I CA 1.986 63.401 61.300 0.192 0.000 1.347 64 I CB -0.247 37.803 38.000 0.083 0.000 1.044 64 I HN 0.369 nan 8.210 nan 0.000 0.408 65 K N 0.668 121.047 120.400 -0.035 0.000 2.032 65 K HA -0.211 4.126 4.320 0.028 0.000 0.209 65 K C 2.027 178.490 176.600 -0.229 0.000 1.048 65 K CA 1.483 57.682 56.287 -0.147 0.000 0.927 65 K CB 0.038 32.390 32.500 -0.247 0.000 0.712 65 K HN 0.237 nan 8.250 nan 0.000 0.441 66 E N 0.314 120.319 120.200 -0.326 0.000 2.208 66 E HA -0.126 4.241 4.350 0.028 0.000 0.193 66 E C 1.960 178.471 176.600 -0.148 0.000 0.988 66 E CA 0.685 56.918 56.400 -0.279 0.000 0.828 66 E CB 0.165 29.684 29.700 -0.301 0.000 0.763 66 E HN 0.416 nan 8.360 nan 0.000 0.478 67 Q N -0.552 119.187 119.800 -0.102 0.000 2.369 67 Q HA -0.030 4.327 4.340 0.028 0.000 0.206 67 Q C 1.231 177.044 176.000 -0.312 0.000 0.963 67 Q CA 1.038 56.750 55.803 -0.151 0.000 0.894 67 Q CB 0.448 29.124 28.738 -0.103 0.000 0.965 67 Q HN 0.428 nan 8.270 nan 0.000 0.475 68 G N 0.519 109.174 108.800 -0.241 0.000 2.175 68 G HA2 -0.244 3.733 3.960 0.028 0.000 0.244 68 G HA3 -0.244 3.733 3.960 0.028 0.000 0.244 68 G C -0.085 174.707 174.900 -0.180 0.000 0.982 68 G CA -0.226 44.755 45.100 -0.199 0.000 0.641 68 G HN 0.229 nan 8.290 nan 0.000 0.527 69 F N 0.982 120.892 119.950 -0.068 0.000 2.635 69 F HA 0.197 4.738 4.527 0.023 0.000 0.379 69 F C 2.095 177.833 175.800 -0.102 0.000 1.094 69 F CA 0.818 58.748 58.000 -0.117 0.000 1.300 69 F CB 0.388 39.268 39.000 -0.200 0.000 1.035 69 F HN 0.040 nan 8.300 nan 0.000 0.581 70 R N 1.489 122.042 120.500 0.089 0.000 2.153 70 R HA 0.341 4.698 4.340 0.028 0.000 0.218 70 R C 0.244 176.528 176.300 -0.027 0.000 1.072 70 R CA 0.896 56.992 56.100 -0.007 0.000 0.990 70 R CB 0.065 30.329 30.300 -0.061 0.000 0.889 70 R HN 0.684 nan 8.270 nan 0.000 0.452 71 A N 0.342 123.162 122.820 0.000 0.000 2.586 71 A HA 0.615 4.952 4.320 0.028 0.000 0.290 71 A C -1.556 176.034 177.584 0.010 0.000 1.086 71 A CA -0.742 51.302 52.037 0.012 0.000 0.665 71 A CB 1.256 20.210 19.000 -0.076 0.000 1.279 71 A HN 0.050 nan 8.150 nan 0.000 0.423 72 I N 0.599 121.220 120.570 0.083 0.000 2.498 72 I HA 0.481 4.668 4.170 0.028 0.000 0.290 72 I C -1.117 174.989 176.117 -0.019 0.000 1.032 72 I CA -0.311 60.950 61.300 -0.064 0.000 1.073 72 I CB 1.935 39.852 38.000 -0.137 0.000 1.251 72 I HN 0.475 nan 8.210 nan 0.000 0.426 73 I N 6.821 127.319 120.570 -0.120 0.000 2.406 73 I HA 0.485 4.672 4.170 0.028 0.000 0.290 73 I C -0.622 175.394 176.117 -0.168 0.000 0.999 73 I CA -0.438 60.754 61.300 -0.179 0.000 1.124 73 I CB 1.759 39.658 38.000 -0.169 0.000 1.289 73 I HN 0.351 nan 8.210 nan 0.000 0.441 74 I N 5.652 126.123 120.570 -0.165 0.000 2.433 74 I HA 0.487 4.674 4.170 0.028 0.000 0.292 74 I C 0.045 176.101 176.117 -0.101 0.000 1.001 74 I CA -0.097 61.125 61.300 -0.130 0.000 1.119 74 I CB 1.948 39.862 38.000 -0.143 0.000 1.289 74 I HN 0.678 nan 8.210 nan 0.000 0.438 75 S N 3.691 119.363 115.700 -0.046 0.000 2.794 75 S HA 1.041 5.528 4.470 0.028 0.000 0.299 75 S C -0.411 174.224 174.600 0.058 0.000 1.179 75 S CA -0.381 57.808 58.200 -0.017 0.000 0.838 75 S CB 2.376 65.579 63.200 0.006 0.000 1.206 75 S HN 1.171 nan 8.310 nan 0.000 0.523 76 G N -1.212 107.644 108.800 0.093 0.000 2.359 76 G HA2 0.502 4.479 3.960 0.028 0.000 0.293 76 G HA3 0.502 4.479 3.960 0.028 0.000 0.293 76 G C -0.211 174.767 174.900 0.130 0.000 1.300 76 G CA -0.207 44.939 45.100 0.076 0.000 0.888 76 G HN 1.335 nan 8.290 nan 0.000 0.541 77 G N -0.903 107.951 108.800 0.090 0.000 2.641 77 G HA2 0.722 4.699 3.960 0.028 0.000 0.239 77 G HA3 0.722 4.699 3.960 0.028 0.000 0.239 77 G C -0.639 174.326 174.900 0.110 0.000 1.402 77 G CA -0.009 45.184 45.100 0.155 0.000 1.046 77 G HN 0.580 nan 8.290 nan 0.000 0.565 78 P HA -0.073 nan 4.420 nan 0.000 0.222 78 P C 0.380 177.683 177.300 0.005 0.000 1.147 78 P CA 0.287 63.314 63.100 -0.122 0.000 0.790 78 P CB -0.082 31.316 31.700 -0.503 0.000 0.780 79 N N 0.917 119.673 118.700 0.093 0.000 2.232 79 N HA -0.049 4.708 4.740 0.028 0.000 0.251 79 N C 0.385 176.060 175.510 0.275 0.000 1.242 79 N CA 0.746 53.894 53.050 0.165 0.000 0.837 79 N CB 0.278 38.834 38.487 0.115 0.000 1.079 79 N HN 0.063 nan 8.380 nan 0.000 0.461 80 S N 0.714 116.539 115.700 0.208 0.000 2.549 80 S HA 0.090 4.578 4.470 0.028 0.000 0.279 80 S C 1.553 176.250 174.600 0.162 0.000 1.321 80 S CA -0.929 57.378 58.200 0.178 0.000 1.054 80 S CB 0.654 63.965 63.200 0.185 0.000 0.899 80 S HN 0.374 nan 8.310 nan 0.000 0.497 81 V N 3.744 123.608 119.914 -0.083 0.000 3.380 81 V HA 0.145 4.282 4.120 0.028 0.000 0.268 81 V C 0.782 176.685 176.094 -0.318 0.000 1.168 81 V CA 0.868 62.995 62.300 -0.289 0.000 1.156 81 V CB -1.474 29.985 31.823 -0.605 0.000 0.785 81 V HN 0.929 nan 8.190 nan 0.000 0.487 82 Y N 1.303 121.608 120.300 0.009 0.000 2.457 82 Y HA 0.690 5.258 4.550 0.029 0.000 0.263 82 Y C 1.792 177.718 175.900 0.044 0.000 1.164 82 Y CA -0.139 57.971 58.100 0.017 0.000 1.274 82 Y CB -0.236 38.223 38.460 -0.003 0.000 1.097 82 Y HN 0.286 nan 8.280 nan 0.000 0.523 83 A N 0.875 123.799 122.820 0.172 0.000 2.540 83 A HA -0.023 4.314 4.320 0.028 0.000 0.239 83 A C 1.157 178.811 177.584 0.116 0.000 1.061 83 A CA -0.172 51.949 52.037 0.140 0.000 0.758 83 A CB 0.163 19.247 19.000 0.139 0.000 0.991 83 A HN 0.593 nan 8.150 nan 0.000 0.502 84 E N 1.280 121.539 120.200 0.098 0.000 2.273 84 E HA -0.197 4.170 4.350 0.028 0.000 0.198 84 E C 0.553 177.203 176.600 0.083 0.000 1.002 84 E CA 1.460 57.909 56.400 0.082 0.000 0.828 84 E CB 0.053 29.793 29.700 0.067 0.000 0.747 84 E HN 0.737 nan 8.360 nan 0.000 0.491 85 D N 0.286 120.740 120.400 0.090 0.000 2.234 85 D HA 0.028 4.685 4.640 0.028 0.000 0.205 85 D C 0.226 176.595 176.300 0.115 0.000 0.962 85 D CA 0.449 54.503 54.000 0.091 0.000 0.855 85 D CB -0.202 40.647 40.800 0.082 0.000 0.951 85 D HN 0.118 nan 8.370 nan 0.000 0.500 86 A N 2.648 125.551 122.820 0.138 0.000 2.592 86 A HA 0.044 4.382 4.320 0.028 0.000 0.250 86 A C -1.775 175.930 177.584 0.202 0.000 1.017 86 A CA -0.534 51.619 52.037 0.194 0.000 0.794 86 A CB -0.418 18.686 19.000 0.172 0.000 0.917 86 A HN 0.072 nan 8.150 nan 0.000 0.515 87 P HA 0.016 nan 4.420 nan 0.000 0.268 87 P C -0.272 177.211 177.300 0.305 0.000 1.208 87 P CA -0.153 63.086 63.100 0.232 0.000 0.777 87 P CB 0.389 32.199 31.700 0.183 0.000 0.875 88 W N 4.092 125.462 121.300 0.116 0.000 2.202 88 W HA 0.406 5.082 4.660 0.026 0.000 0.332 88 W C -0.502 176.123 176.519 0.176 0.000 1.263 88 W CA 0.383 57.762 57.345 0.057 0.000 1.223 88 W CB 0.206 29.663 29.460 -0.004 0.000 1.128 88 W HN 0.366 nan 8.180 nan 0.000 0.573 89 F N 2.816 122.236 119.950 -0.883 0.000 2.662 89 F HA 0.350 4.894 4.527 0.028 0.000 0.312 89 F C -1.035 173.856 175.800 -1.516 0.000 1.113 89 F CA -1.628 55.884 58.000 -0.814 0.000 0.951 89 F CB 0.946 39.734 39.000 -0.354 0.000 1.344 89 F HN 0.146 nan 8.300 nan 0.000 0.462 90 D N 3.433 123.419 120.400 -0.690 0.000 2.380 90 D HA 0.343 5.000 4.640 0.028 0.000 0.230 90 D C -1.663 174.557 176.300 -0.132 0.000 1.154 90 D CA -2.740 50.969 54.000 -0.484 0.000 0.859 90 D CB 1.392 42.186 40.800 -0.011 0.000 1.045 90 D HN 0.296 nan 8.370 nan 0.000 0.495 91 P HA -0.097 nan 4.420 nan 0.000 0.225 91 P C 0.908 178.285 177.300 0.128 0.000 1.148 91 P CA 0.513 63.672 63.100 0.098 0.000 0.779 91 P CB 0.138 31.781 31.700 -0.096 0.000 0.780 92 A N 0.727 123.579 122.820 0.053 0.000 2.172 92 A HA -0.089 4.248 4.320 0.028 0.000 0.216 92 A C 2.130 179.755 177.584 0.068 0.000 1.154 92 A CA 0.673 52.760 52.037 0.082 0.000 0.701 92 A CB -1.487 17.567 19.000 0.090 0.000 0.789 92 A HN 0.359 nan 8.150 nan 0.000 0.465 93 I N -4.366 116.191 120.570 -0.021 0.000 2.335 93 I HA -0.220 3.967 4.170 0.028 0.000 0.251 93 I C 1.734 177.736 176.117 -0.192 0.000 1.129 93 I CA 1.699 62.901 61.300 -0.163 0.000 1.402 93 I CB -0.615 37.178 38.000 -0.344 0.000 1.069 93 I HN 0.159 nan 8.210 nan 0.000 0.424 94 F N 2.184 122.194 119.950 0.099 0.000 2.748 94 F HA 0.006 4.551 4.527 0.030 0.000 0.299 94 F C 2.263 178.211 175.800 0.246 0.000 1.154 94 F CA 1.228 59.342 58.000 0.191 0.000 1.446 94 F CB -0.364 38.796 39.000 0.267 0.000 1.112 94 F HN 0.276 nan 8.300 nan 0.000 0.584 95 T N -3.170 111.562 114.554 0.296 0.000 3.091 95 T HA 0.173 4.540 4.350 0.028 0.000 0.277 95 T C 1.348 176.144 174.700 0.159 0.000 0.996 95 T CA -0.035 62.214 62.100 0.249 0.000 0.897 95 T CB -0.941 68.054 68.868 0.212 0.000 1.109 95 T HN 0.368 nan 8.240 nan 0.000 0.534 96 I N -1.234 119.413 120.570 0.128 0.000 3.444 96 I HA 0.504 4.691 4.170 0.028 0.000 0.287 96 I C 1.726 177.889 176.117 0.077 0.000 1.302 96 I CA 0.348 61.707 61.300 0.098 0.000 1.368 96 I CB -0.913 37.135 38.000 0.079 0.000 1.048 96 I HN 0.356 nan 8.210 nan 0.000 0.487 97 G N 1.565 110.415 108.800 0.083 0.000 2.157 97 G HA2 -0.270 3.707 3.960 0.028 0.000 0.248 97 G HA3 -0.270 3.707 3.960 0.028 0.000 0.248 97 G C 0.047 174.972 174.900 0.041 0.000 0.979 97 G CA 0.005 45.139 45.100 0.057 0.000 0.650 97 G HN 0.511 nan 8.290 nan 0.000 0.529 98 K N 0.979 121.408 120.400 0.049 0.000 2.130 98 K HA 0.558 4.895 4.320 0.028 0.000 0.268 98 K C -2.375 174.268 176.600 0.072 0.000 0.983 98 K CA -2.052 54.257 56.287 0.037 0.000 0.893 98 K CB 1.283 33.801 32.500 0.030 0.000 1.066 98 K HN -0.012 nan 8.250 nan 0.000 0.450 99 P HA 0.012 nan 4.420 nan 0.000 0.266 99 P C -1.095 176.412 177.300 0.345 0.000 1.195 99 P CA -0.234 62.961 63.100 0.159 0.000 0.768 99 P CB 0.601 32.284 31.700 -0.028 0.000 0.838 100 V N 4.167 124.352 119.914 0.450 0.000 2.638 100 V HA 0.339 4.476 4.120 0.028 0.000 0.306 100 V C -0.461 175.770 176.094 0.227 0.000 1.052 100 V CA -0.663 61.851 62.300 0.357 0.000 0.885 100 V CB 1.915 33.890 31.823 0.253 0.000 0.999 100 V HN 0.323 nan 8.190 nan 0.000 0.424 101 L N 4.633 125.693 121.223 -0.271 0.000 2.294 101 L HA 0.881 5.238 4.340 0.028 0.000 0.283 101 L C 0.378 177.067 176.870 -0.302 0.000 1.015 101 L CA 0.143 54.651 54.840 -0.554 0.000 0.831 101 L CB 1.129 42.318 42.059 -1.449 0.000 1.217 101 L HN 0.713 nan 8.230 nan 0.000 0.420 102 G N 6.187 114.889 108.800 -0.163 0.000 2.335 102 G HA2 0.587 4.564 3.960 0.028 0.000 0.314 102 G HA3 0.587 4.564 3.960 0.028 0.000 0.314 102 G C -0.798 173.963 174.900 -0.232 0.000 1.129 102 G CA -0.402 44.614 45.100 -0.139 0.000 0.912 102 G HN 0.596 nan 8.290 nan 0.000 0.443 103 I N 2.535 122.948 120.570 -0.262 0.000 2.355 103 I HA 0.204 4.391 4.170 0.028 0.000 0.288 103 I C 0.927 176.822 176.117 -0.370 0.000 0.999 103 I CA -0.343 60.728 61.300 -0.383 0.000 1.163 103 I CB 0.984 38.731 38.000 -0.422 0.000 1.316 103 I HN 0.716 nan 8.210 nan 0.000 0.454 104 C N 4.215 123.286 119.300 -0.381 0.000 5.885 104 C HA -0.385 4.092 4.460 0.028 0.000 0.328 104 C C 2.082 176.990 174.990 -0.137 0.000 2.433 104 C CA 1.230 60.093 59.018 -0.258 0.000 2.197 104 C CB -1.818 25.745 27.740 -0.296 0.000 3.236 104 C HN 0.837 nan 8.230 nan 0.000 0.260 105 Y N 2.632 122.823 120.300 -0.181 0.000 2.151 105 Y HA -0.074 4.493 4.550 0.030 0.000 0.284 105 Y C 2.277 178.073 175.900 -0.173 0.000 1.166 105 Y CA 2.877 60.892 58.100 -0.142 0.000 1.163 105 Y CB -0.954 37.448 38.460 -0.096 0.000 0.974 105 Y HN 0.615 nan 8.280 nan 0.000 0.511 106 G N -0.162 108.595 108.800 -0.072 0.000 2.440 106 G HA2 -0.356 3.621 3.960 0.028 0.000 0.218 106 G HA3 -0.356 3.621 3.960 0.028 0.000 0.218 106 G C 1.762 176.562 174.900 -0.166 0.000 1.154 106 G CA 1.081 46.111 45.100 -0.117 0.000 0.767 106 G HN 0.523 nan 8.290 nan 0.000 0.552 107 M N -0.179 119.300 119.600 -0.203 0.000 2.132 107 M HA -0.063 4.435 4.480 0.028 0.000 0.263 107 M C 2.628 178.759 176.300 -0.282 0.000 1.065 107 M CA 1.370 56.535 55.300 -0.226 0.000 1.122 107 M CB -0.120 32.355 32.600 -0.208 0.000 1.365 107 M HN 0.116 nan 8.290 nan 0.000 0.411 108 Q N 0.211 119.835 119.800 -0.293 0.000 2.084 108 Q HA -0.168 4.189 4.340 0.028 0.000 0.202 108 Q C 2.030 177.780 176.000 -0.417 0.000 0.978 108 Q CA 1.927 57.534 55.803 -0.327 0.000 0.844 108 Q CB -0.479 28.052 28.738 -0.346 0.000 0.898 108 Q HN 0.669 nan 8.270 nan 0.000 0.426 109 M N -0.305 119.004 119.600 -0.486 0.000 2.086 109 M HA -0.163 4.335 4.480 0.028 0.000 0.261 109 M C 2.387 178.377 176.300 -0.516 0.000 1.067 109 M CA 1.336 56.348 55.300 -0.479 0.000 1.116 109 M CB -0.381 31.900 32.600 -0.532 0.000 1.348 109 M HN 0.206 nan 8.290 nan 0.000 0.407 110 M N 0.465 119.698 119.600 -0.612 0.000 2.065 110 M HA -0.278 4.219 4.480 0.028 0.000 0.259 110 M C 1.792 177.726 176.300 -0.610 0.000 1.069 110 M CA 2.179 56.942 55.300 -0.895 0.000 1.110 110 M CB -0.322 31.942 32.600 -0.560 0.000 1.328 110 M HN 0.261 nan 8.290 nan 0.000 0.405 111 N N 0.259 118.648 118.700 -0.518 0.000 2.166 111 N HA -0.205 4.552 4.740 0.028 0.000 0.186 111 N C 1.695 177.034 175.510 -0.285 0.000 1.019 111 N CA 1.542 54.324 53.050 -0.447 0.000 0.856 111 N CB -0.147 38.132 38.487 -0.347 0.000 0.993 111 N HN 0.292 nan 8.380 nan 0.000 0.426 112 K N 0.007 120.241 120.400 -0.275 0.000 2.026 112 K HA -0.068 4.269 4.320 0.028 0.000 0.208 112 K C 1.698 178.167 176.600 -0.218 0.000 1.048 112 K CA 1.111 57.274 56.287 -0.208 0.000 0.929 112 K CB -0.220 32.084 32.500 -0.327 0.000 0.713 112 K HN 0.041 nan 8.250 nan 0.000 0.439 113 V N 0.842 120.563 119.914 -0.322 0.000 2.392 113 V HA -0.217 3.920 4.120 0.028 0.000 0.249 113 V C 1.441 177.223 176.094 -0.521 0.000 1.059 113 V CA 1.617 63.658 62.300 -0.431 0.000 1.051 113 V CB -0.442 31.009 31.823 -0.619 0.000 0.658 113 V HN 0.228 nan 8.190 nan 0.000 0.455 114 F N 0.068 119.885 119.950 -0.221 0.000 2.668 114 F HA 0.498 5.042 4.527 0.028 0.000 0.297 114 F C 1.580 177.321 175.800 -0.099 0.000 1.124 114 F CA 0.520 58.446 58.000 -0.124 0.000 1.353 114 F CB 0.079 39.030 39.000 -0.082 0.000 0.992 114 F HN 0.205 nan 8.300 nan 0.000 0.524 115 G N 0.212 109.004 108.800 -0.014 0.000 2.132 115 G HA2 -0.188 3.790 3.960 0.028 0.000 0.234 115 G HA3 -0.188 3.790 3.960 0.028 0.000 0.234 115 G C 0.714 175.607 174.900 -0.011 0.000 0.989 115 G CA -0.220 44.877 45.100 -0.004 0.000 0.676 115 G HN 0.756 nan 8.290 nan 0.000 0.522 116 G N -0.843 107.931 108.800 -0.044 0.000 2.621 116 G HA2 0.806 4.783 3.960 0.028 0.000 0.271 116 G HA3 0.806 4.783 3.960 0.028 0.000 0.271 116 G C 0.360 175.245 174.900 -0.026 0.000 1.236 116 G CA 0.914 45.977 45.100 -0.062 0.000 0.958 116 G HN 1.530 nan 8.290 nan 0.000 0.512 117 T N -4.136 110.380 114.554 -0.063 0.000 2.865 117 T HA 0.646 5.013 4.350 0.028 0.000 0.294 117 T C -1.021 173.593 174.700 -0.142 0.000 1.119 117 T CA -0.741 61.309 62.100 -0.083 0.000 1.007 117 T CB 1.784 70.569 68.868 -0.138 0.000 1.225 117 T HN 0.518 nan 8.240 nan 0.000 0.515 118 V N 1.562 121.351 119.914 -0.208 0.000 2.715 118 V HA 0.425 4.562 4.120 0.028 0.000 0.310 118 V C -0.082 175.883 176.094 -0.216 0.000 1.054 118 V CA -0.998 61.189 62.300 -0.189 0.000 0.928 118 V CB 1.578 33.346 31.823 -0.093 0.000 1.007 118 V HN 0.914 nan 8.190 nan 0.000 0.437 119 H N 2.967 121.991 119.070 -0.076 0.000 2.871 119 H HA 0.120 4.693 4.556 0.028 0.000 0.355 119 H C 1.258 176.541 175.328 -0.075 0.000 1.092 119 H CA 0.691 56.700 56.048 -0.067 0.000 1.420 119 H CB 0.889 30.626 29.762 -0.041 0.000 1.400 119 H HN 0.837 nan 8.280 nan 0.000 0.604 120 K N 3.099 123.548 120.400 0.082 0.000 2.026 120 K HA -0.071 4.266 4.320 0.028 0.000 0.208 120 K C 1.371 177.987 176.600 0.026 0.000 1.048 120 K CA 1.820 58.117 56.287 0.017 0.000 0.929 120 K CB -0.847 31.657 32.500 0.006 0.000 0.713 120 K HN 0.754 nan 8.250 nan 0.000 0.439 121 K N 1.784 122.202 120.400 0.030 0.000 2.368 121 K HA 0.491 4.828 4.320 0.028 0.000 0.282 121 K C 0.796 177.414 176.600 0.031 0.000 1.035 121 K CA 0.223 56.516 56.287 0.011 0.000 0.973 121 K CB -0.952 31.531 32.500 -0.029 0.000 0.957 121 K HN 1.722 nan 8.250 nan 0.000 0.474 127 G N -0.387 108.595 108.800 0.303 0.000 2.736 127 G HA2 0.588 4.565 3.960 0.028 0.000 0.229 127 G HA3 0.588 4.565 3.960 0.028 0.000 0.229 127 G C -0.593 174.349 174.900 0.070 0.000 1.380 127 G CA -0.670 44.473 45.100 0.073 0.000 1.040 127 G HN 0.173 nan 8.290 nan 0.000 0.568 128 V N 0.716 120.520 119.914 -0.184 0.000 2.334 128 V HA 0.512 4.649 4.120 0.028 0.000 0.281 128 V C -1.092 174.828 176.094 -0.290 0.000 1.016 128 V CA -0.334 61.904 62.300 -0.103 0.000 0.832 128 V CB 0.399 32.172 31.823 -0.084 0.000 0.999 128 V HN 0.400 nan 8.190 nan 0.000 0.439 129 F N 2.382 122.311 119.950 -0.035 0.000 2.575 129 F HA 0.520 5.064 4.527 0.028 0.000 0.330 129 F C 0.398 176.149 175.800 -0.083 0.000 1.056 129 F CA -0.967 57.005 58.000 -0.047 0.000 0.964 129 F CB 1.540 40.519 39.000 -0.035 0.000 1.258 129 F HN 0.408 nan 8.300 nan 0.000 0.484 130 N N 2.227 121.007 118.700 0.133 0.000 2.439 130 N HA 0.457 5.214 4.740 0.028 0.000 0.249 130 N C -1.038 174.484 175.510 0.020 0.000 1.003 130 N CA -0.358 52.707 53.050 0.025 0.000 0.942 130 N CB 0.352 38.843 38.487 0.006 0.000 1.115 130 N HN 0.592 nan 8.380 nan 0.000 0.505 131 I N -0.002 120.532 120.570 -0.060 0.000 3.133 131 I HA 0.706 4.893 4.170 0.028 0.000 0.311 131 I C -0.119 175.933 176.117 -0.107 0.000 1.072 131 I CA -1.039 60.210 61.300 -0.085 0.000 1.015 131 I CB 1.901 39.821 38.000 -0.134 0.000 1.233 131 I HN 0.446 nan 8.210 nan 0.000 0.473 132 S N 2.295 117.942 115.700 -0.087 0.000 2.565 132 S HA 0.807 5.294 4.470 0.028 0.000 0.290 132 S C -0.782 173.752 174.600 -0.110 0.000 1.150 132 S CA -0.518 57.632 58.200 -0.085 0.000 1.058 132 S CB 1.769 64.945 63.200 -0.041 0.000 1.032 132 S HN 0.637 nan 8.310 nan 0.000 0.510 133 V N 2.274 122.109 119.914 -0.132 0.000 2.760 133 V HA 0.377 4.514 4.120 0.028 0.000 0.309 133 V C -1.153 174.923 176.094 -0.030 0.000 1.077 133 V CA -0.777 61.398 62.300 -0.208 0.000 0.910 133 V CB 2.059 33.562 31.823 -0.533 0.000 1.008 133 V HN 1.071 nan 8.190 nan 0.000 0.424 134 D N 3.469 123.953 120.400 0.139 0.000 2.352 134 D HA 0.124 4.781 4.640 0.028 0.000 0.245 134 D C 1.091 177.543 176.300 0.253 0.000 1.224 134 D CA 0.434 54.547 54.000 0.189 0.000 0.879 134 D CB 0.491 41.416 40.800 0.208 0.000 1.057 134 D HN 0.593 nan 8.370 nan 0.000 0.491 135 N N 1.466 120.254 118.700 0.147 0.000 2.247 135 N HA -0.215 4.542 4.740 0.028 0.000 0.189 135 N C 1.514 177.108 175.510 0.140 0.000 1.009 135 N CA 1.754 54.887 53.050 0.137 0.000 0.872 135 N CB 0.264 38.797 38.487 0.075 0.000 0.980 135 N HN 0.544 nan 8.380 nan 0.000 0.436 136 T N -2.994 111.633 114.554 0.122 0.000 3.057 136 T HA 0.060 4.427 4.350 0.028 0.000 0.254 136 T C 1.096 175.848 174.700 0.087 0.000 1.094 136 T CA -0.297 61.855 62.100 0.087 0.000 1.088 136 T CB -0.526 68.380 68.868 0.064 0.000 0.934 136 T HN 0.179 nan 8.240 nan 0.000 0.497 137 C N 2.967 122.339 119.300 0.120 0.000 2.642 137 C HA 0.384 4.861 4.460 0.028 0.000 0.420 137 C C 2.246 177.238 174.990 0.004 0.000 1.349 137 C CA 0.053 59.117 59.018 0.078 0.000 1.821 137 C CB -0.572 27.211 27.740 0.073 0.000 2.637 137 C HN 0.656 nan 8.230 nan 0.000 0.605 138 S N 3.589 119.278 115.700 -0.018 0.000 2.400 138 S HA -0.186 4.301 4.470 0.028 0.000 0.232 138 S C 1.551 176.008 174.600 -0.237 0.000 1.025 138 S CA 1.307 59.449 58.200 -0.096 0.000 0.993 138 S CB -0.343 62.808 63.200 -0.080 0.000 0.808 138 S HN 0.850 nan 8.310 nan 0.000 0.478 139 L N 0.565 121.496 121.223 -0.488 0.000 2.191 139 L HA 0.131 4.488 4.340 0.028 0.000 0.212 139 L C 1.023 177.735 176.870 -0.263 0.000 1.103 139 L CA 1.617 56.113 54.840 -0.574 0.000 0.769 139 L CB -0.435 41.062 42.059 -0.936 0.000 0.908 139 L HN 0.334 nan 8.230 nan 0.000 0.438 140 F N -1.125 118.832 119.950 0.012 0.000 2.654 140 F HA 0.267 4.811 4.527 0.028 0.000 0.303 140 F C 0.595 176.412 175.800 0.029 0.000 1.099 140 F CA -1.162 56.864 58.000 0.042 0.000 1.270 140 F CB 0.095 39.135 39.000 0.067 0.000 1.024 140 F HN -0.233 nan 8.300 nan 0.000 0.548 141 R N 0.966 121.557 120.500 0.152 0.000 2.522 141 R HA 0.250 4.607 4.340 0.028 0.000 0.284 141 R C 1.133 177.486 176.300 0.089 0.000 1.032 141 R CA 0.413 56.572 56.100 0.098 0.000 1.049 141 R CB -0.341 29.991 30.300 0.053 0.000 0.956 141 R HN 0.478 nan 8.270 nan 0.000 0.422 142 G N 1.188 110.030 108.800 0.069 0.000 2.159 142 G HA2 -0.231 3.746 3.960 0.028 0.000 0.227 142 G HA3 -0.231 3.746 3.960 0.028 0.000 0.227 142 G C -0.104 174.824 174.900 0.047 0.000 0.986 142 G CA -0.255 44.875 45.100 0.050 0.000 0.651 142 G HN 0.409 nan 8.290 nan 0.000 0.523 143 L N 0.783 122.041 121.223 0.059 0.000 2.330 143 L HA 0.544 4.901 4.340 0.028 0.000 0.271 143 L C 0.621 177.496 176.870 0.007 0.000 1.013 143 L CA -1.338 53.520 54.840 0.030 0.000 0.816 143 L CB 1.437 43.514 42.059 0.030 0.000 1.287 143 L HN 0.094 nan 8.230 nan 0.000 0.435 144 Q N 1.165 120.955 119.800 -0.017 0.000 2.382 144 Q HA 0.147 4.504 4.340 0.028 0.000 0.229 144 Q C 0.372 176.344 176.000 -0.047 0.000 1.006 144 Q CA -0.294 55.494 55.803 -0.024 0.000 0.916 144 Q CB 0.951 29.672 28.738 -0.028 0.000 1.235 144 Q HN 0.486 nan 8.270 nan 0.000 0.512 145 K N 0.669 121.046 120.400 -0.037 0.000 2.057 145 K HA -0.109 4.228 4.320 0.028 0.000 0.207 145 K C 0.230 176.780 176.600 -0.082 0.000 1.049 145 K CA 1.189 57.446 56.287 -0.049 0.000 0.931 145 K CB 0.139 32.624 32.500 -0.025 0.000 0.714 145 K HN 0.520 nan 8.250 nan 0.000 0.440 146 E N 1.343 121.502 120.200 -0.070 0.000 2.259 146 E HA 0.094 4.461 4.350 0.028 0.000 0.281 146 E C -0.537 175.999 176.600 -0.108 0.000 1.027 146 E CA -0.057 56.295 56.400 -0.081 0.000 0.838 146 E CB 0.996 30.664 29.700 -0.052 0.000 1.066 146 E HN 0.054 nan 8.360 nan 0.000 0.401 147 E N 1.561 121.672 120.200 -0.148 0.000 2.331 147 E HA 0.272 4.639 4.350 0.028 0.000 0.275 147 E C -1.107 175.382 176.600 -0.185 0.000 0.895 147 E CA -0.786 55.504 56.400 -0.184 0.000 0.753 147 E CB 2.331 31.861 29.700 -0.283 0.000 1.216 147 E HN 0.154 nan 8.360 nan 0.000 0.434 148 V N 2.272 122.095 119.914 -0.152 0.000 2.406 148 V HA 0.449 4.586 4.120 0.028 0.000 0.272 148 V C 0.343 176.330 176.094 -0.177 0.000 1.043 148 V CA -0.633 61.592 62.300 -0.125 0.000 0.915 148 V CB 1.005 32.782 31.823 -0.077 0.000 0.988 148 V HN 0.489 nan 8.190 nan 0.000 0.466 149 V N 3.388 123.190 119.914 -0.187 0.000 3.078 149 V HA 0.677 4.814 4.120 0.028 0.000 0.311 149 V C -0.742 175.346 176.094 -0.011 0.000 1.138 149 V CA -1.221 60.942 62.300 -0.228 0.000 1.007 149 V CB 2.104 33.471 31.823 -0.760 0.000 1.045 149 V HN 0.629 nan 8.190 nan 0.000 0.432 150 L N 3.534 124.814 121.223 0.095 0.000 2.401 150 L HA 0.435 4.792 4.340 0.028 0.000 0.283 150 L C -0.210 176.824 176.870 0.272 0.000 1.151 150 L CA 0.183 55.130 54.840 0.178 0.000 0.942 150 L CB -0.311 41.855 42.059 0.179 0.000 1.283 150 L HN 0.724 nan 8.230 nan 0.000 0.442 151 L N 4.345 125.733 121.223 0.276 0.000 2.360 151 L HA 0.157 4.514 4.340 0.028 0.000 0.276 151 L C 0.861 177.886 176.870 0.258 0.000 1.121 151 L CA 0.153 55.156 54.840 0.271 0.000 0.845 151 L CB 1.089 43.279 42.059 0.218 0.000 1.143 151 L HN 0.605 nan 8.230 nan 0.000 0.452 152 T N 1.261 115.945 114.554 0.218 0.000 2.849 152 T HA 0.092 4.459 4.350 0.028 0.000 0.284 152 T C 0.908 175.693 174.700 0.142 0.000 1.004 152 T CA -0.214 61.996 62.100 0.183 0.000 1.021 152 T CB 0.524 69.478 68.868 0.142 0.000 1.013 152 T HN 0.774 nan 8.240 nan 0.000 0.527 153 H N 0.006 119.145 119.070 0.115 0.000 2.551 153 H HA 0.471 5.044 4.556 0.028 0.000 0.271 153 H C 1.122 176.495 175.328 0.074 0.000 0.984 153 H CA 0.071 56.173 56.048 0.091 0.000 1.164 153 H CB -0.197 29.621 29.762 0.093 0.000 1.437 153 H HN 0.529 nan 8.280 nan 0.000 0.550 154 G N 0.249 108.945 108.800 -0.174 0.000 2.529 154 G HA2 -0.026 3.951 3.960 0.028 0.000 0.234 154 G HA3 -0.026 3.951 3.960 0.028 0.000 0.234 154 G C -0.371 174.543 174.900 0.023 0.000 1.527 154 G CA -0.365 44.683 45.100 -0.086 0.000 1.062 154 G HN 0.321 nan 8.290 nan 0.000 0.558 155 D N -0.145 120.274 120.400 0.033 0.000 2.478 155 D HA 0.315 4.972 4.640 0.028 0.000 0.234 155 D C 0.644 176.965 176.300 0.034 0.000 1.154 155 D CA 0.662 54.691 54.000 0.049 0.000 0.874 155 D CB 1.041 41.882 40.800 0.067 0.000 1.198 155 D HN 0.417 nan 8.370 nan 0.000 0.455 156 S N -0.175 115.559 115.700 0.056 0.000 2.526 156 S HA 0.447 4.934 4.470 0.028 0.000 0.293 156 S C -0.528 174.077 174.600 0.008 0.000 1.092 156 S CA -1.010 57.224 58.200 0.057 0.000 0.980 156 S CB 1.401 64.672 63.200 0.117 0.000 1.048 156 S HN 0.121 nan 8.310 nan 0.000 0.483 157 V N 3.641 123.530 119.914 -0.041 0.000 2.493 157 V HA 0.068 4.205 4.120 0.028 0.000 0.292 157 V C 1.155 177.081 176.094 -0.281 0.000 1.016 157 V CA 0.482 62.704 62.300 -0.130 0.000 1.097 157 V CB 0.175 31.939 31.823 -0.099 0.000 0.947 157 V HN 1.068 nan 8.190 nan 0.000 0.479 158 D N 4.393 124.492 120.400 -0.500 0.000 2.435 158 D HA -0.005 4.652 4.640 0.028 0.000 0.257 158 D C 1.093 177.223 176.300 -0.282 0.000 1.290 158 D CA 0.454 54.021 54.000 -0.721 0.000 0.994 158 D CB 0.214 40.523 40.800 -0.818 0.000 1.014 158 D HN 0.449 nan 8.370 nan 0.000 0.378 159 K N 1.252 121.530 120.400 -0.204 0.000 2.310 159 K HA 0.231 4.568 4.320 0.028 0.000 0.290 159 K C -0.750 175.790 176.600 -0.100 0.000 1.077 159 K CA -0.344 55.876 56.287 -0.112 0.000 0.922 159 K CB 0.678 33.129 32.500 -0.082 0.000 1.057 159 K HN -0.006 nan 8.250 nan 0.000 0.479 160 V N 4.116 123.986 119.914 -0.074 0.000 2.529 160 V HA 0.020 4.157 4.120 0.028 0.000 0.292 160 V C 0.822 176.884 176.094 -0.053 0.000 1.028 160 V CA -0.419 61.839 62.300 -0.071 0.000 1.074 160 V CB 0.545 32.355 31.823 -0.021 0.000 0.958 160 V HN 0.907 nan 8.190 nan 0.000 0.481 161 A N 4.001 126.751 122.820 -0.116 0.000 2.555 161 A HA 0.072 4.410 4.320 0.028 0.000 0.233 161 A C 0.258 177.902 177.584 0.100 0.000 1.060 161 A CA -0.143 51.861 52.037 -0.055 0.000 0.759 161 A CB -0.274 18.601 19.000 -0.208 0.000 0.995 161 A HN 0.926 nan 8.150 nan 0.000 0.506 162 D N 0.399 120.870 120.400 0.118 0.000 2.424 162 D HA 0.416 5.073 4.640 0.028 0.000 0.244 162 D C 1.284 177.668 176.300 0.140 0.000 1.134 162 D CA 1.877 55.943 54.000 0.110 0.000 0.881 162 D CB 0.511 41.357 40.800 0.077 0.000 1.191 162 D HN 1.063 nan 8.370 nan 0.000 0.445 163 G N 1.331 110.157 108.800 0.044 0.000 2.195 163 G HA2 -0.266 3.711 3.960 0.028 0.000 0.246 163 G HA3 -0.266 3.711 3.960 0.028 0.000 0.246 163 G C 0.124 174.875 174.900 -0.249 0.000 0.984 163 G CA -0.455 44.579 45.100 -0.110 0.000 0.633 163 G HN 0.425 nan 8.290 nan 0.000 0.525 164 F N 0.924 120.779 119.950 -0.159 0.000 2.432 164 F HA 0.698 5.241 4.527 0.028 0.000 0.329 164 F C 0.584 176.325 175.800 -0.097 0.000 1.076 164 F CA -0.578 57.327 58.000 -0.158 0.000 1.018 164 F CB 1.738 40.636 39.000 -0.170 0.000 1.201 164 F HN 0.019 nan 8.300 nan 0.000 0.489 165 K N 1.624 122.069 120.400 0.075 0.000 2.316 165 K HA 0.595 4.932 4.320 0.028 0.000 0.251 165 K C -1.584 175.068 176.600 0.087 0.000 0.934 165 K CA -0.663 55.655 56.287 0.052 0.000 0.802 165 K CB 1.998 34.501 32.500 0.005 0.000 1.171 165 K HN 0.464 nan 8.250 nan 0.000 0.426 166 V N 4.462 124.423 119.914 0.077 0.000 2.470 166 V HA 0.042 4.179 4.120 0.028 0.000 0.276 166 V C 0.911 177.076 176.094 0.118 0.000 1.040 166 V CA -0.149 62.205 62.300 0.090 0.000 1.008 166 V CB 0.947 32.809 31.823 0.066 0.000 0.990 166 V HN 0.709 nan 8.190 nan 0.000 0.477 167 V N 1.596 121.616 119.914 0.176 0.000 3.432 167 V HA 0.807 4.944 4.120 0.028 0.000 0.298 167 V C 0.397 176.700 176.094 0.349 0.000 1.464 167 V CA 0.398 62.855 62.300 0.260 0.000 1.046 167 V CB 0.150 32.148 31.823 0.291 0.000 0.887 167 V HN 0.892 nan 8.190 nan 0.000 0.441 168 A N 0.396 123.370 122.820 0.256 0.000 2.566 168 A HA 0.891 5.228 4.320 0.028 0.000 0.297 168 A C -0.801 176.848 177.584 0.109 0.000 1.059 168 A CA -0.716 51.427 52.037 0.176 0.000 0.691 168 A CB 2.046 21.207 19.000 0.268 0.000 1.282 168 A HN 0.314 nan 8.150 nan 0.000 0.401 169 R N 0.368 120.895 120.500 0.045 0.000 2.621 169 R HA 0.648 5.005 4.340 0.028 0.000 0.284 169 R C -1.090 175.199 176.300 -0.019 0.000 0.998 169 R CA -0.232 55.880 56.100 0.020 0.000 0.895 169 R CB 2.228 32.538 30.300 0.017 0.000 1.195 169 R HN 0.706 nan 8.270 nan 0.000 0.450 170 S N 2.207 117.884 115.700 -0.039 0.000 2.622 170 S HA 0.511 4.998 4.470 0.028 0.000 0.283 170 S C 0.501 175.038 174.600 -0.106 0.000 1.197 170 S CA 0.501 58.644 58.200 -0.096 0.000 1.146 170 S CB 0.622 63.721 63.200 -0.169 0.000 1.007 170 S HN 0.955 nan 8.310 nan 0.000 0.478 171 G N 5.325 114.082 108.800 -0.071 0.000 2.574 171 G HA2 -0.339 3.638 3.960 0.028 0.000 0.301 171 G HA3 -0.339 3.638 3.960 0.028 0.000 0.301 171 G C 0.814 175.692 174.900 -0.036 0.000 1.166 171 G CA 0.547 45.614 45.100 -0.055 0.000 0.971 171 G HN 0.578 nan 8.290 nan 0.000 0.542 172 N N 0.786 119.463 118.700 -0.040 0.000 2.405 172 N HA 0.167 4.924 4.740 0.028 0.000 0.175 172 N C 1.166 176.676 175.510 -0.000 0.000 1.051 172 N CA 0.356 53.395 53.050 -0.018 0.000 0.899 172 N CB 0.015 38.484 38.487 -0.030 0.000 1.000 172 N HN 0.574 nan 8.380 nan 0.000 0.451 173 I N 1.720 122.278 120.570 -0.021 0.000 2.598 173 I HA -0.051 4.136 4.170 0.028 0.000 0.284 173 I C 0.251 176.377 176.117 0.016 0.000 1.140 173 I CA -0.124 61.176 61.300 0.001 0.000 1.420 173 I CB 0.707 38.683 38.000 -0.039 0.000 1.387 173 I HN -0.287 nan 8.210 nan 0.000 0.553 174 V N 7.240 127.175 119.914 0.036 0.000 2.485 174 V HA 0.027 4.164 4.120 0.028 0.000 0.287 174 V C 1.073 177.193 176.094 0.043 0.000 1.022 174 V CA 0.700 63.022 62.300 0.036 0.000 1.067 174 V CB 0.714 32.549 31.823 0.019 0.000 0.967 174 V HN 0.997 nan 8.190 nan 0.000 0.479 175 A N 4.092 126.961 122.820 0.081 0.000 2.382 175 A HA 0.681 5.018 4.320 0.028 0.000 0.228 175 A C 0.893 178.592 177.584 0.192 0.000 1.217 175 A CA 0.558 52.679 52.037 0.140 0.000 0.923 175 A CB 0.466 19.571 19.000 0.174 0.000 0.979 175 A HN 1.012 nan 8.150 nan 0.000 0.515 176 G N 0.076 108.982 108.800 0.177 0.000 2.742 176 G HA2 0.568 4.545 3.960 0.028 0.000 0.296 176 G HA3 0.568 4.545 3.960 0.028 0.000 0.296 176 G C -0.998 173.993 174.900 0.151 0.000 1.436 176 G CA -0.291 44.934 45.100 0.208 0.000 0.928 176 G HN 0.749 nan 8.290 nan 0.000 0.520 177 I N -1.306 119.330 120.570 0.111 0.000 2.802 177 I HA 0.949 5.136 4.170 0.028 0.000 0.298 177 I C -0.443 175.783 176.117 0.181 0.000 1.176 177 I CA -1.462 59.919 61.300 0.135 0.000 1.025 177 I CB 2.478 40.517 38.000 0.064 0.000 1.243 177 I HN 0.883 nan 8.210 nan 0.000 0.424 178 A N 3.265 126.187 122.820 0.170 0.000 2.520 178 A HA 0.658 4.995 4.320 0.028 0.000 0.298 178 A C -1.618 175.692 177.584 -0.456 0.000 1.051 178 A CA -0.603 51.369 52.037 -0.108 0.000 0.690 178 A CB 1.743 20.713 19.000 -0.050 0.000 1.281 178 A HN 0.747 nan 8.150 nan 0.000 0.402 179 N N 1.603 119.710 118.700 -0.989 0.000 2.626 179 N HA 0.152 4.910 4.740 0.028 0.000 0.249 179 N C 0.284 175.349 175.510 -0.741 0.000 1.021 179 N CA -0.327 52.064 53.050 -1.098 0.000 0.886 179 N CB 1.085 38.477 38.487 -1.825 0.000 1.149 179 N HN 0.637 nan 8.380 nan 0.000 0.517 180 E N 0.916 120.840 120.200 -0.460 0.000 2.110 180 E HA -0.140 4.227 4.350 0.028 0.000 0.193 180 E C 1.457 177.934 176.600 -0.206 0.000 0.988 180 E CA 1.237 57.480 56.400 -0.261 0.000 0.804 180 E CB 0.086 29.722 29.700 -0.106 0.000 0.745 180 E HN 0.739 nan 8.360 nan 0.000 0.458 181 S N 0.985 116.549 115.700 -0.227 0.000 2.383 181 S HA -0.067 4.420 4.470 0.028 0.000 0.227 181 S C 1.652 176.155 174.600 -0.162 0.000 1.026 181 S CA 0.792 58.895 58.200 -0.162 0.000 0.981 181 S CB -0.142 62.970 63.200 -0.147 0.000 0.818 181 S HN 0.134 nan 8.310 nan 0.000 0.472 182 K N 1.122 121.374 120.400 -0.247 0.000 2.387 182 K HA 0.231 4.568 4.320 0.028 0.000 0.198 182 K C -0.385 176.116 176.600 -0.165 0.000 1.022 182 K CA -0.154 56.020 56.287 -0.189 0.000 1.128 182 K CB 0.017 32.383 32.500 -0.223 0.000 0.853 182 K HN 0.297 nan 8.250 nan 0.000 0.523 183 K N 1.314 121.591 120.400 -0.206 0.000 3.156 183 K HA -0.179 4.158 4.320 0.028 0.000 0.266 183 K C -0.811 175.692 176.600 -0.163 0.000 0.966 183 K CA 0.535 56.765 56.287 -0.095 0.000 0.719 183 K CB -1.672 30.895 32.500 0.113 0.000 1.333 183 K HN 0.252 nan 8.250 nan 0.000 0.468 184 L N 1.219 122.099 121.223 -0.573 0.000 2.305 184 L HA 0.496 4.853 4.340 0.028 0.000 0.284 184 L C -0.324 176.211 176.870 -0.558 0.000 1.013 184 L CA -0.921 53.740 54.840 -0.298 0.000 0.819 184 L CB 0.708 42.704 42.059 -0.105 0.000 1.227 184 L HN -0.007 nan 8.230 nan 0.000 0.417 185 Y N 0.972 121.324 120.300 0.086 0.000 2.442 185 Y HA 0.725 5.292 4.550 0.028 0.000 0.344 185 Y C 0.501 176.363 175.900 -0.065 0.000 0.976 185 Y CA -0.895 57.201 58.100 -0.006 0.000 1.040 185 Y CB 2.460 40.867 38.460 -0.088 0.000 1.228 185 Y HN 0.538 nan 8.280 nan 0.000 0.451 186 G N 0.696 109.528 108.800 0.054 0.000 2.524 186 G HA2 0.777 4.754 3.960 0.028 0.000 0.310 186 G HA3 0.777 4.754 3.960 0.028 0.000 0.310 186 G C -1.693 173.135 174.900 -0.121 0.000 1.279 186 G CA -0.977 44.078 45.100 -0.076 0.000 0.974 186 G HN 0.806 nan 8.290 nan 0.000 0.484 187 A N 1.140 123.800 122.820 -0.266 0.000 2.422 187 A HA 0.638 4.975 4.320 0.028 0.000 0.302 187 A C 0.003 177.316 177.584 -0.451 0.000 1.041 187 A CA -0.688 51.086 52.037 -0.439 0.000 0.708 187 A CB 2.116 20.584 19.000 -0.887 0.000 1.257 187 A HN 0.544 nan 8.150 nan 0.000 0.414 188 Q N 0.595 120.234 119.800 -0.269 0.000 2.322 188 Q HA 0.336 4.693 4.340 0.028 0.000 0.203 188 Q C -0.587 175.394 176.000 -0.032 0.000 0.923 188 Q CA 0.495 56.226 55.803 -0.120 0.000 0.949 188 Q CB -0.610 28.136 28.738 0.014 0.000 1.039 188 Q HN 0.687 nan 8.270 nan 0.000 0.496 189 F N -3.247 116.637 119.950 -0.109 0.000 2.654 189 F HA 0.567 5.111 4.527 0.028 0.000 0.334 189 F C -0.322 175.356 175.800 -0.204 0.000 1.078 189 F CA -1.327 56.629 58.000 -0.073 0.000 0.986 189 F CB 0.939 39.950 39.000 0.018 0.000 1.362 189 F HN -0.203 nan 8.300 nan 0.000 0.498 190 H N 1.784 120.952 119.070 0.164 0.000 2.690 190 H HA 0.234 4.807 4.556 0.028 0.000 0.280 190 H C -2.031 173.392 175.328 0.158 0.000 1.138 190 H CA -1.545 54.513 56.048 0.016 0.000 1.241 190 H CB 1.385 31.106 29.762 -0.069 0.000 1.394 190 H HN 0.392 nan 8.280 nan 0.000 0.489 191 P HA -0.106 nan 4.420 nan 0.000 0.237 191 P C 1.204 178.595 177.300 0.152 0.000 1.178 191 P CA 0.645 63.881 63.100 0.226 0.000 0.766 191 P CB 0.425 32.224 31.700 0.165 0.000 0.876 192 E N 0.685 120.968 120.200 0.139 0.000 2.427 192 E HA -0.006 4.361 4.350 0.028 0.000 0.196 192 E C 0.815 177.491 176.600 0.127 0.000 1.028 192 E CA 0.332 56.805 56.400 0.122 0.000 0.864 192 E CB -0.872 28.905 29.700 0.128 0.000 0.813 192 E HN 0.145 nan 8.360 nan 0.000 0.514 193 V N -1.518 118.487 119.914 0.152 0.000 2.567 193 V HA 0.600 4.737 4.120 0.028 0.000 0.289 193 V C 1.553 177.700 176.094 0.089 0.000 1.049 193 V CA -0.136 62.233 62.300 0.116 0.000 0.969 193 V CB 1.316 33.213 31.823 0.123 0.000 0.995 193 V HN 0.003 nan 8.190 nan 0.000 0.471 194 G N 2.644 111.479 108.800 0.059 0.000 2.475 194 G HA2 -0.180 3.797 3.960 0.028 0.000 0.220 194 G HA3 -0.180 3.797 3.960 0.028 0.000 0.220 194 G C 1.083 176.005 174.900 0.037 0.000 1.125 194 G CA 1.129 46.254 45.100 0.041 0.000 0.755 194 G HN 0.801 nan 8.290 nan 0.000 0.565 195 L N 0.678 121.926 121.223 0.042 0.000 2.362 195 L HA 0.017 4.374 4.340 0.028 0.000 0.219 195 L C 0.967 177.857 176.870 0.033 0.000 1.134 195 L CA 0.366 55.225 54.840 0.032 0.000 0.807 195 L CB -0.477 41.602 42.059 0.034 0.000 0.927 195 L HN -0.005 nan 8.230 nan 0.000 0.447 196 T N 0.325 114.916 114.554 0.062 0.000 2.776 196 T HA -0.002 4.365 4.350 0.028 0.000 0.292 196 T C 1.176 175.893 174.700 0.029 0.000 0.921 196 T CA -0.061 62.067 62.100 0.046 0.000 1.038 196 T CB 1.062 70.010 68.868 0.134 0.000 0.910 196 T HN 0.232 nan 8.240 nan 0.000 0.536 197 E N 3.428 123.624 120.200 -0.006 0.000 2.065 197 E HA -0.224 4.143 4.350 0.028 0.000 0.201 197 E C 0.751 177.356 176.600 0.010 0.000 1.016 197 E CA 1.193 57.590 56.400 -0.005 0.000 0.818 197 E CB 0.151 29.836 29.700 -0.024 0.000 0.749 197 E HN 0.419 nan 8.360 nan 0.000 0.453 198 N N -0.555 118.151 118.700 0.010 0.000 2.458 198 N HA 0.105 4.862 4.740 0.028 0.000 0.274 198 N C 0.569 176.126 175.510 0.077 0.000 1.242 198 N CA 0.407 53.476 53.050 0.032 0.000 0.904 198 N CB 1.056 39.553 38.487 0.016 0.000 1.206 198 N HN 0.193 nan 8.380 nan 0.000 0.510 199 G N 0.570 109.427 108.800 0.094 0.000 2.443 199 G HA2 -0.234 3.743 3.960 0.028 0.000 0.219 199 G HA3 -0.234 3.743 3.960 0.028 0.000 0.219 199 G C 1.578 176.547 174.900 0.116 0.000 1.131 199 G CA 0.488 45.675 45.100 0.144 0.000 0.775 199 G HN 0.269 nan 8.290 nan 0.000 0.547 200 K N -0.088 120.361 120.400 0.081 0.000 2.057 200 K HA -0.010 4.327 4.320 0.028 0.000 0.207 200 K C 2.576 179.219 176.600 0.073 0.000 1.049 200 K CA 0.919 57.245 56.287 0.064 0.000 0.931 200 K CB -0.159 32.363 32.500 0.037 0.000 0.714 200 K HN 0.187 nan 8.250 nan 0.000 0.440 201 V N 1.574 121.533 119.914 0.076 0.000 2.295 201 V HA -0.274 3.864 4.120 0.028 0.000 0.246 201 V C 2.186 178.348 176.094 0.114 0.000 1.049 201 V CA 1.717 64.064 62.300 0.079 0.000 1.024 201 V CB -0.320 31.547 31.823 0.073 0.000 0.648 201 V HN 0.318 nan 8.190 nan 0.000 0.447 202 I N -0.381 120.283 120.570 0.156 0.000 2.118 202 I HA -0.319 3.868 4.170 0.028 0.000 0.241 202 I C 2.344 178.544 176.117 0.139 0.000 1.070 202 I CA 1.843 63.256 61.300 0.189 0.000 1.327 202 I CB -0.382 37.785 38.000 0.279 0.000 1.034 202 I HN 0.264 nan 8.210 nan 0.000 0.405 203 L N 0.245 121.546 121.223 0.130 0.000 2.083 203 L HA -0.222 4.135 4.340 0.028 0.000 0.209 203 L C 2.608 179.598 176.870 0.200 0.000 1.083 203 L CA 1.284 56.211 54.840 0.145 0.000 0.752 203 L CB -0.569 41.554 42.059 0.108 0.000 0.899 203 L HN 0.220 nan 8.230 nan 0.000 0.433 204 K N 0.303 120.803 120.400 0.166 0.000 2.009 204 K HA -0.198 4.139 4.320 0.028 0.000 0.210 204 K C 1.993 178.716 176.600 0.204 0.000 1.049 204 K CA 1.684 58.085 56.287 0.191 0.000 0.929 204 K CB 0.003 32.538 32.500 0.059 0.000 0.714 204 K HN 0.256 nan 8.250 nan 0.000 0.440 205 N N 0.310 119.086 118.700 0.126 0.000 2.094 205 N HA -0.208 4.549 4.740 0.028 0.000 0.191 205 N C 1.600 177.141 175.510 0.052 0.000 1.023 205 N CA 1.271 54.364 53.050 0.071 0.000 0.857 205 N CB -0.438 38.062 38.487 0.022 0.000 1.013 205 N HN 0.187 nan 8.380 nan 0.000 0.426 206 F N 1.347 121.257 119.950 -0.067 0.000 2.128 206 F HA 0.045 4.588 4.527 0.027 0.000 0.295 206 F C 2.080 177.852 175.800 -0.046 0.000 1.100 206 F CA 0.910 58.842 58.000 -0.112 0.000 1.260 206 F CB -0.273 38.655 39.000 -0.120 0.000 1.009 206 F HN -0.081 nan 8.300 nan 0.000 0.476 207 L N -1.490 119.750 121.223 0.029 0.000 2.109 207 L HA -0.195 4.162 4.340 0.028 0.000 0.207 207 L C 1.914 178.630 176.870 -0.256 0.000 1.086 207 L CA 1.185 55.945 54.840 -0.133 0.000 0.760 207 L CB -0.738 41.329 42.059 0.013 0.000 0.910 207 L HN 0.173 nan 8.230 nan 0.000 0.437 208 Y N -0.146 120.108 120.300 -0.077 0.000 2.269 208 Y HA -0.065 4.502 4.550 0.028 0.000 0.279 208 Y C 2.349 178.201 175.900 -0.080 0.000 1.118 208 Y CA 0.735 58.804 58.100 -0.051 0.000 1.145 208 Y CB -0.495 37.963 38.460 -0.002 0.000 1.081 208 Y HN 0.024 nan 8.280 nan 0.000 0.501 209 D N 0.283 120.745 120.400 0.104 0.000 2.123 209 D HA -0.176 4.481 4.640 0.028 0.000 0.196 209 D C 1.913 178.178 176.300 -0.058 0.000 0.992 209 D CA 1.922 55.933 54.000 0.018 0.000 0.833 209 D CB -0.201 40.602 40.800 0.006 0.000 0.954 209 D HN 0.292 nan 8.370 nan 0.000 0.455 210 I N 0.105 120.590 120.570 -0.141 0.000 2.364 210 I HA -0.006 4.181 4.170 0.028 0.000 0.241 210 I C 2.191 178.156 176.117 -0.253 0.000 1.082 210 I CA 0.742 61.922 61.300 -0.199 0.000 1.401 210 I CB -0.080 37.747 38.000 -0.289 0.000 1.126 210 I HN -0.052 nan 8.210 nan 0.000 0.429 211 A N 0.281 122.857 122.820 -0.407 0.000 2.132 211 A HA 0.303 4.640 4.320 0.028 0.000 0.213 211 A C 1.753 179.196 177.584 -0.236 0.000 1.154 211 A CA 0.742 52.553 52.037 -0.377 0.000 0.753 211 A CB -0.608 18.056 19.000 -0.560 0.000 0.826 211 A HN 0.584 nan 8.150 nan 0.000 0.469 212 G N -0.995 107.683 108.800 -0.203 0.000 2.246 212 G HA2 -0.257 3.721 3.960 0.028 0.000 0.273 212 G HA3 -0.257 3.721 3.960 0.028 0.000 0.273 212 G C 0.158 174.945 174.900 -0.188 0.000 1.055 212 G CA 0.066 45.078 45.100 -0.147 0.000 0.851 212 G HN 0.602 nan 8.290 nan 0.000 0.500 213 C N 0.498 119.609 119.300 -0.314 0.000 2.605 213 C HA 0.557 5.034 4.460 0.028 0.000 0.404 213 C C 2.147 176.883 174.990 -0.424 0.000 1.284 213 C CA 0.331 59.134 59.018 -0.358 0.000 2.199 213 C CB 1.228 28.703 27.740 -0.442 0.000 2.647 213 C HN 0.972 nan 8.230 nan 0.000 0.604 214 S N 0.879 116.460 115.700 -0.198 0.000 2.503 214 S HA 0.268 4.755 4.470 0.028 0.000 0.217 214 S C 1.186 175.846 174.600 0.100 0.000 0.999 214 S CA 0.675 58.856 58.200 -0.031 0.000 0.914 214 S CB -0.104 63.104 63.200 0.014 0.000 0.782 214 S HN 2.051 nan 8.310 nan 0.000 0.520 215 G N 1.607 110.439 108.800 0.053 0.000 2.248 215 G HA2 -0.232 3.745 3.960 0.028 0.000 0.252 215 G HA3 -0.232 3.745 3.960 0.028 0.000 0.252 215 G C 0.469 175.519 174.900 0.251 0.000 1.085 215 G CA 0.424 45.703 45.100 0.300 0.000 0.845 215 G HN 0.977 nan 8.290 nan 0.000 0.494 216 T N -2.954 111.719 114.554 0.198 0.000 3.100 216 T HA 0.300 4.667 4.350 0.028 0.000 0.253 216 T C 0.995 175.844 174.700 0.250 0.000 1.118 216 T CA 0.437 62.639 62.100 0.169 0.000 1.058 216 T CB 0.167 69.112 68.868 0.129 0.000 0.953 216 T HN 0.682 nan 8.240 nan 0.000 0.515 217 F N 4.613 124.660 119.950 0.162 0.000 2.573 217 F HA 0.376 4.915 4.527 0.019 0.000 0.349 217 F C 0.569 176.529 175.800 0.267 0.000 1.213 217 F CA -1.036 57.071 58.000 0.178 0.000 1.300 217 F CB -0.609 38.485 39.000 0.157 0.000 1.661 217 F HN 0.162 nan 8.300 nan 0.000 0.616 218 T N -1.074 113.520 114.554 0.066 0.000 2.948 218 T HA 0.344 4.711 4.350 0.028 0.000 0.285 218 T C 1.231 175.913 174.700 -0.030 0.000 1.019 218 T CA -0.719 61.429 62.100 0.080 0.000 1.013 218 T CB 1.531 70.380 68.868 -0.032 0.000 1.117 218 T HN 0.005 nan 8.240 nan 0.000 0.533 219 V N 1.068 121.016 119.914 0.057 0.000 2.332 219 V HA -0.197 3.940 4.120 0.028 0.000 0.248 219 V C 2.991 179.116 176.094 0.051 0.000 1.055 219 V CA 2.355 64.709 62.300 0.089 0.000 1.038 219 V CB -1.100 30.781 31.823 0.097 0.000 0.651 219 V HN 0.988 nan 8.190 nan 0.000 0.450 220 Q N 0.967 120.773 119.800 0.009 0.000 2.045 220 Q HA -0.224 4.133 4.340 0.028 0.000 0.206 220 Q C 1.992 177.997 176.000 0.009 0.000 0.991 220 Q CA 2.366 58.166 55.803 -0.004 0.000 0.851 220 Q CB -0.434 28.289 28.738 -0.024 0.000 0.911 220 Q HN 0.645 nan 8.270 nan 0.000 0.418 221 N N -0.333 118.369 118.700 0.003 0.000 2.270 221 N HA -0.057 4.700 4.740 0.028 0.000 0.181 221 N C 1.653 177.176 175.510 0.021 0.000 1.016 221 N CA 0.981 54.041 53.050 0.017 0.000 0.870 221 N CB -0.158 38.348 38.487 0.032 0.000 0.979 221 N HN 0.270 nan 8.380 nan 0.000 0.431 222 R N 1.055 121.544 120.500 -0.019 0.000 2.096 222 R HA -0.054 4.303 4.340 0.028 0.000 0.235 222 R C 2.039 178.454 176.300 0.191 0.000 1.127 222 R CA 0.873 56.975 56.100 0.003 0.000 0.968 222 R CB -0.102 30.111 30.300 -0.145 0.000 0.861 222 R HN 0.385 nan 8.270 nan 0.000 0.440 223 E N 1.128 121.447 120.200 0.198 0.000 2.051 223 E HA -0.207 4.160 4.350 0.028 0.000 0.192 223 E C 1.903 178.558 176.600 0.092 0.000 0.991 223 E CA 1.141 57.630 56.400 0.150 0.000 0.799 223 E CB -0.001 29.714 29.700 0.025 0.000 0.748 223 E HN 0.310 nan 8.360 nan 0.000 0.449 224 L N 0.633 121.891 121.223 0.058 0.000 2.083 224 L HA -0.187 4.170 4.340 0.028 0.000 0.209 224 L C 2.708 179.605 176.870 0.044 0.000 1.083 224 L CA 1.426 56.289 54.840 0.039 0.000 0.752 224 L CB -0.401 41.674 42.059 0.026 0.000 0.899 224 L HN 0.183 nan 8.230 nan 0.000 0.433 225 E N -0.236 119.999 120.200 0.058 0.000 2.072 225 E HA -0.228 4.139 4.350 0.028 0.000 0.191 225 E C 2.259 178.893 176.600 0.057 0.000 0.985 225 E CA 1.570 58.002 56.400 0.054 0.000 0.801 225 E CB -0.532 29.207 29.700 0.065 0.000 0.750 225 E HN 0.410 nan 8.360 nan 0.000 0.452 226 C N -0.168 119.186 119.300 0.090 0.000 2.429 226 C HA -0.048 4.429 4.460 0.028 0.000 0.277 226 C C 2.584 177.613 174.990 0.065 0.000 1.262 226 C CA 0.853 59.934 59.018 0.105 0.000 1.733 226 C CB -1.233 26.646 27.740 0.232 0.000 2.010 226 C HN 0.582 nan 8.230 nan 0.000 0.483 227 I N 0.472 121.074 120.570 0.053 0.000 2.163 227 I HA -0.222 3.965 4.170 0.028 0.000 0.243 227 I C 2.903 179.025 176.117 0.008 0.000 1.085 227 I CA 1.963 63.276 61.300 0.022 0.000 1.347 227 I CB -0.630 37.380 38.000 0.016 0.000 1.044 227 I HN 0.359 nan 8.210 nan 0.000 0.408 228 R N 0.900 121.407 120.500 0.013 0.000 2.091 228 R HA -0.213 4.144 4.340 0.028 0.000 0.238 228 R C 2.109 178.407 176.300 -0.004 0.000 1.136 228 R CA 1.781 57.883 56.100 0.004 0.000 0.959 228 R CB -0.127 30.178 30.300 0.008 0.000 0.856 228 R HN 0.439 nan 8.270 nan 0.000 0.437 229 E N -0.038 120.163 120.200 0.002 0.000 2.150 229 E HA -0.154 4.213 4.350 0.028 0.000 0.193 229 E C 2.020 178.600 176.600 -0.033 0.000 0.985 229 E CA 1.163 57.559 56.400 -0.008 0.000 0.814 229 E CB -0.018 29.685 29.700 0.006 0.000 0.752 229 E HN 0.406 nan 8.360 nan 0.000 0.466 230 I N 1.212 121.760 120.570 -0.036 0.000 2.202 230 I HA -0.275 3.912 4.170 0.028 0.000 0.242 230 I C 2.283 178.338 176.117 -0.103 0.000 1.091 230 I CA 1.146 62.398 61.300 -0.079 0.000 1.368 230 I CB -0.168 37.798 38.000 -0.056 0.000 1.058 230 I HN -0.015 nan 8.210 nan 0.000 0.410 231 K N 0.345 120.708 120.400 -0.062 0.000 2.113 231 K HA -0.282 4.055 4.320 0.028 0.000 0.208 231 K C 2.063 178.630 176.600 -0.056 0.000 1.047 231 K CA 1.930 58.185 56.287 -0.054 0.000 0.928 231 K CB -0.164 32.319 32.500 -0.028 0.000 0.716 231 K HN 0.212 nan 8.250 nan 0.000 0.446 232 E N 1.055 121.226 120.200 -0.048 0.000 2.072 232 E HA -0.176 4.191 4.350 0.028 0.000 0.190 232 E C 1.944 178.519 176.600 -0.043 0.000 0.982 232 E CA 1.224 57.604 56.400 -0.033 0.000 0.803 232 E CB 0.001 29.689 29.700 -0.020 0.000 0.755 232 E HN 0.063 nan 8.360 nan 0.000 0.453 233 R N -0.557 119.893 120.500 -0.084 0.000 2.148 233 R HA 0.041 4.398 4.340 0.028 0.000 0.223 233 R C 1.782 177.951 176.300 -0.217 0.000 1.088 233 R CA 1.282 57.317 56.100 -0.109 0.000 0.985 233 R CB -0.230 29.985 30.300 -0.141 0.000 0.880 233 R HN 0.190 nan 8.270 nan 0.000 0.451 234 V N -0.378 119.353 119.914 -0.304 0.000 2.949 234 V HA 0.275 4.412 4.120 0.028 0.000 0.245 234 V C 1.538 177.600 176.094 -0.052 0.000 1.086 234 V CA 0.881 62.931 62.300 -0.417 0.000 1.097 234 V CB -0.168 31.382 31.823 -0.455 0.000 0.762 234 V HN 0.695 nan 8.190 nan 0.000 0.470 235 G N 1.621 110.405 108.800 -0.027 0.000 2.634 235 G HA2 -0.446 3.531 3.960 0.028 0.000 0.309 235 G HA3 -0.446 3.531 3.960 0.028 0.000 0.309 235 G C 0.995 175.910 174.900 0.026 0.000 1.265 235 G CA 1.304 46.415 45.100 0.019 0.000 0.998 235 G HN 0.750 nan 8.290 nan 0.000 0.551 236 T N -1.456 113.128 114.554 0.049 0.000 3.107 236 T HA 0.502 4.869 4.350 0.028 0.000 0.249 236 T C 1.205 175.949 174.700 0.074 0.000 1.096 236 T CA 1.092 63.220 62.100 0.047 0.000 1.012 236 T CB 0.016 68.906 68.868 0.037 0.000 0.977 236 T HN 0.820 nan 8.240 nan 0.000 0.527 237 S N 2.446 118.223 115.700 0.128 0.000 2.563 237 S HA 0.182 4.669 4.470 0.028 0.000 0.284 237 S C 0.512 175.216 174.600 0.175 0.000 1.331 237 S CA -0.422 57.892 58.200 0.189 0.000 1.047 237 S CB 0.417 63.848 63.200 0.385 0.000 0.859 237 S HN 0.335 nan 8.310 nan 0.000 0.514 238 K N 1.491 121.980 120.400 0.148 0.000 2.237 238 K HA 0.325 4.662 4.320 0.028 0.000 0.270 238 K C -0.655 176.052 176.600 0.179 0.000 1.015 238 K CA -0.261 56.097 56.287 0.119 0.000 0.949 238 K CB 0.693 33.239 32.500 0.076 0.000 0.976 238 K HN 0.329 nan 8.250 nan 0.000 0.472 239 V N 3.937 123.928 119.914 0.129 0.000 2.444 239 V HA 0.302 4.439 4.120 0.028 0.000 0.294 239 V C -0.104 176.049 176.094 0.098 0.000 1.022 239 V CA -0.895 61.491 62.300 0.143 0.000 0.850 239 V CB 1.492 33.366 31.823 0.085 0.000 0.992 239 V HN 0.598 nan 8.190 nan 0.000 0.426 240 L N 5.257 126.542 121.223 0.104 0.000 2.334 240 L HA 0.789 5.146 4.340 0.028 0.000 0.277 240 L C -0.463 176.456 176.870 0.082 0.000 1.075 240 L CA -0.323 54.562 54.840 0.075 0.000 0.804 240 L CB 1.743 43.837 42.059 0.059 0.000 1.174 240 L HN 0.569 nan 8.230 nan 0.000 0.438 241 V N 6.365 126.324 119.914 0.074 0.000 2.577 241 V HA 0.424 4.561 4.120 0.028 0.000 0.303 241 V C -0.743 175.410 176.094 0.099 0.000 1.042 241 V CA -0.621 61.730 62.300 0.085 0.000 0.872 241 V CB 1.972 33.838 31.823 0.072 0.000 0.998 241 V HN 0.630 nan 8.190 nan 0.000 0.423 242 L N 7.133 128.433 121.223 0.129 0.000 2.312 242 L HA 0.395 4.752 4.340 0.028 0.000 0.287 242 L C -0.181 176.808 176.870 0.197 0.000 1.091 242 L CA -0.375 54.575 54.840 0.183 0.000 0.846 242 L CB 1.010 43.237 42.059 0.279 0.000 1.219 242 L HN 0.571 nan 8.230 nan 0.000 0.439 243 L N 3.483 124.823 121.223 0.194 0.000 2.342 243 L HA 0.125 4.482 4.340 0.028 0.000 0.285 243 L C 1.412 178.469 176.870 0.312 0.000 1.095 243 L CA 0.554 55.507 54.840 0.188 0.000 0.843 243 L CB 1.148 43.288 42.059 0.136 0.000 1.201 243 L HN 0.687 nan 8.230 nan 0.000 0.445 244 S N 2.484 118.311 115.700 0.212 0.000 2.436 244 S HA 0.210 4.697 4.470 0.028 0.000 0.228 244 S C 1.376 176.097 174.600 0.202 0.000 1.014 244 S CA 0.429 58.758 58.200 0.213 0.000 0.950 244 S CB -0.153 63.093 63.200 0.077 0.000 0.784 244 S HN 1.331 nan 8.310 nan 0.000 0.504 245 G N 0.350 109.187 108.800 0.062 0.000 2.238 245 G HA2 -0.066 3.911 3.960 0.028 0.000 0.217 245 G HA3 -0.066 3.911 3.960 0.028 0.000 0.217 245 G C 0.497 175.384 174.900 -0.022 0.000 0.996 245 G CA -0.090 44.975 45.100 -0.057 0.000 0.632 245 G HN 1.062 nan 8.290 nan 0.000 0.503 246 G N -0.198 108.620 108.800 0.031 0.000 2.667 246 G HA2 0.502 4.479 3.960 0.028 0.000 0.250 246 G HA3 0.502 4.479 3.960 0.028 0.000 0.250 246 G C 1.352 176.260 174.900 0.013 0.000 1.212 246 G CA 0.457 45.578 45.100 0.035 0.000 0.874 246 G HN 0.796 nan 8.290 nan 0.000 0.561 247 V N 0.733 120.656 119.914 0.015 0.000 2.287 247 V HA -0.170 3.967 4.120 0.028 0.000 0.248 247 V C 2.564 178.660 176.094 0.003 0.000 1.053 247 V CA 2.333 64.634 62.300 0.002 0.000 1.027 247 V CB -0.557 31.271 31.823 0.008 0.000 0.646 247 V HN 0.636 nan 8.190 nan 0.000 0.447 248 D N -0.169 120.241 120.400 0.018 0.000 2.104 248 D HA -0.163 4.494 4.640 0.028 0.000 0.194 248 D C 2.432 178.743 176.300 0.019 0.000 0.994 248 D CA 1.833 55.845 54.000 0.019 0.000 0.830 248 D CB -0.458 40.362 40.800 0.033 0.000 0.959 248 D HN 0.368 nan 8.370 nan 0.000 0.452 249 S N -0.648 115.069 115.700 0.027 0.000 2.370 249 S HA -0.142 4.345 4.470 0.028 0.000 0.226 249 S C 1.961 176.573 174.600 0.020 0.000 1.033 249 S CA 1.752 59.974 58.200 0.036 0.000 1.011 249 S CB -0.273 62.957 63.200 0.051 0.000 0.852 249 S HN 0.280 nan 8.310 nan 0.000 0.457 250 T N 1.196 115.752 114.554 0.002 0.000 2.812 250 T HA -0.006 4.361 4.350 0.028 0.000 0.264 250 T C 1.866 176.553 174.700 -0.021 0.000 1.042 250 T CA 1.283 63.375 62.100 -0.014 0.000 1.140 250 T CB -0.413 68.437 68.868 -0.030 0.000 0.870 250 T HN 0.238 nan 8.240 nan 0.000 0.445 251 V N 1.039 120.937 119.914 -0.027 0.000 2.343 251 V HA -0.210 3.927 4.120 0.028 0.000 0.247 251 V C 2.842 178.912 176.094 -0.039 0.000 1.051 251 V CA 1.484 63.756 62.300 -0.046 0.000 1.036 251 V CB -0.816 30.968 31.823 -0.065 0.000 0.654 251 V HN 0.687 nan 8.190 nan 0.000 0.451 252 C N 0.295 119.586 119.300 -0.016 0.000 2.413 252 C HA -0.217 4.260 4.460 0.028 0.000 0.276 252 C C 3.056 178.047 174.990 0.002 0.000 1.236 252 C CA 2.210 61.228 59.018 0.001 0.000 1.735 252 C CB -1.228 26.527 27.740 0.025 0.000 2.031 252 C HN 0.669 nan 8.230 nan 0.000 0.474 253 T N 0.974 115.532 114.554 0.006 0.000 2.708 253 T HA -0.106 4.261 4.350 0.028 0.000 0.266 253 T C 2.123 176.821 174.700 -0.004 0.000 1.037 253 T CA 1.833 63.938 62.100 0.009 0.000 1.146 253 T CB -0.644 68.232 68.868 0.012 0.000 0.865 253 T HN 0.718 nan 8.240 nan 0.000 0.435 254 A N 1.230 124.041 122.820 -0.016 0.000 1.902 254 A HA -0.006 4.331 4.320 0.028 0.000 0.217 254 A C 2.251 179.820 177.584 -0.026 0.000 1.181 254 A CA 1.216 53.239 52.037 -0.024 0.000 0.623 254 A CB -0.829 18.151 19.000 -0.034 0.000 0.818 254 A HN 0.378 nan 8.150 nan 0.000 0.443 255 L N -0.151 121.053 121.223 -0.031 0.000 2.012 255 L HA -0.127 4.230 4.340 0.028 0.000 0.210 255 L C 2.350 179.211 176.870 -0.015 0.000 1.073 255 L CA 1.739 56.561 54.840 -0.030 0.000 0.748 255 L CB -0.530 41.507 42.059 -0.037 0.000 0.891 255 L HN 0.420 nan 8.230 nan 0.000 0.431 256 L N -0.707 120.511 121.223 -0.008 0.000 2.046 256 L HA -0.225 4.132 4.340 0.028 0.000 0.208 256 L C 2.470 179.335 176.870 -0.007 0.000 1.077 256 L CA 1.448 56.284 54.840 -0.007 0.000 0.747 256 L CB -0.800 41.260 42.059 0.002 0.000 0.896 256 L HN 0.461 nan 8.230 nan 0.000 0.432 257 N N 0.580 119.277 118.700 -0.005 0.000 2.104 257 N HA -0.245 4.512 4.740 0.028 0.000 0.190 257 N C 2.032 177.537 175.510 -0.009 0.000 1.024 257 N CA 1.362 54.408 53.050 -0.005 0.000 0.853 257 N CB 0.067 38.551 38.487 -0.005 0.000 1.008 257 N HN 0.141 nan 8.380 nan 0.000 0.424 258 R N 1.010 121.502 120.500 -0.012 0.000 2.148 258 R HA 0.053 4.410 4.340 0.028 0.000 0.227 258 R C 1.731 178.025 176.300 -0.011 0.000 1.103 258 R CA 1.539 57.631 56.100 -0.013 0.000 0.983 258 R CB -0.542 29.747 30.300 -0.018 0.000 0.874 258 R HN 0.201 nan 8.270 nan 0.000 0.451 259 A N -0.428 122.385 122.820 -0.011 0.000 2.030 259 A HA 0.284 4.621 4.320 0.028 0.000 0.215 259 A C 0.743 178.319 177.584 -0.014 0.000 1.164 259 A CA 0.429 52.459 52.037 -0.012 0.000 0.697 259 A CB 0.076 19.067 19.000 -0.015 0.000 0.827 259 A HN 0.235 nan 8.150 nan 0.000 0.457 260 L N -1.368 119.848 121.223 -0.013 0.000 2.293 260 L HA 0.403 4.760 4.340 0.028 0.000 0.264 260 L C -0.429 176.439 176.870 -0.004 0.000 1.029 260 L CA -1.413 53.421 54.840 -0.010 0.000 0.897 260 L CB 0.364 42.416 42.059 -0.012 0.000 1.497 260 L HN 0.018 nan 8.230 nan 0.000 0.495 261 N N -0.147 118.553 118.700 0.000 0.000 2.381 261 N HA 0.116 4.873 4.740 0.028 0.000 0.254 261 N C 0.475 175.987 175.510 0.004 0.000 1.264 261 N CA -0.371 52.681 53.050 0.002 0.000 0.942 261 N CB 0.446 38.937 38.487 0.005 0.000 1.190 261 N HN 0.501 nan 8.380 nan 0.000 0.495 262 Q N 0.284 120.086 119.800 0.004 0.000 2.096 262 Q HA -0.141 4.216 4.340 0.028 0.000 0.204 262 Q C 0.727 176.732 176.000 0.009 0.000 0.982 262 Q CA 1.153 56.959 55.803 0.005 0.000 0.850 262 Q CB 0.062 28.802 28.738 0.003 0.000 0.901 262 Q HN 0.528 nan 8.270 nan 0.000 0.422 263 E N 0.472 120.678 120.200 0.010 0.000 2.274 263 E HA -0.159 4.208 4.350 0.028 0.000 0.194 263 E C 1.700 178.311 176.600 0.018 0.000 0.996 263 E CA 0.716 57.124 56.400 0.013 0.000 0.840 263 E CB 0.014 29.721 29.700 0.012 0.000 0.772 263 E HN 0.448 nan 8.360 nan 0.000 0.491 264 Q N 0.305 120.116 119.800 0.019 0.000 2.245 264 Q HA 0.004 4.361 4.340 0.028 0.000 0.201 264 Q C 0.206 176.225 176.000 0.032 0.000 0.955 264 Q CA 0.355 56.175 55.803 0.027 0.000 0.870 264 Q CB 0.666 29.417 28.738 0.022 0.000 0.945 264 Q HN -0.005 nan 8.270 nan 0.000 0.461 265 V N 1.914 121.843 119.914 0.024 0.000 2.364 265 V HA 0.242 4.379 4.120 0.028 0.000 0.272 265 V C -0.214 175.898 176.094 0.029 0.000 1.036 265 V CA -0.099 62.218 62.300 0.027 0.000 0.880 265 V CB 1.116 32.950 31.823 0.019 0.000 0.991 265 V HN 0.145 nan 8.190 nan 0.000 0.460 266 I N 4.755 125.348 120.570 0.037 0.000 2.371 266 I HA 0.544 4.731 4.170 0.028 0.000 0.282 266 I C 0.520 176.662 176.117 0.041 0.000 1.031 266 I CA -0.231 61.090 61.300 0.035 0.000 1.180 266 I CB 1.280 39.299 38.000 0.033 0.000 1.336 266 I HN 0.666 nan 8.210 nan 0.000 0.467 267 A N 6.886 129.730 122.820 0.040 0.000 2.252 267 A HA 0.687 5.024 4.320 0.028 0.000 0.309 267 A C -0.411 177.210 177.584 0.062 0.000 1.285 267 A CA -0.379 51.689 52.037 0.052 0.000 0.900 267 A CB 0.571 19.598 19.000 0.044 0.000 1.157 267 A HN 0.434 nan 8.150 nan 0.000 0.536 268 V N 3.690 123.650 119.914 0.076 0.000 2.384 268 V HA 0.260 4.397 4.120 0.028 0.000 0.287 268 V C -0.466 175.712 176.094 0.140 0.000 1.020 268 V CA -0.441 61.906 62.300 0.079 0.000 0.850 268 V CB 1.254 33.097 31.823 0.033 0.000 0.987 268 V HN 0.951 nan 8.190 nan 0.000 0.436 269 H N 5.267 124.363 119.070 0.043 0.000 2.581 269 H HA 0.557 5.129 4.556 0.027 0.000 0.308 269 H C -0.521 174.845 175.328 0.063 0.000 1.040 269 H CA -0.548 55.537 56.048 0.061 0.000 1.231 269 H CB 0.796 30.578 29.762 0.034 0.000 1.396 269 H HN 0.600 nan 8.280 nan 0.000 0.467 270 I N 4.518 124.905 120.570 -0.304 0.000 2.322 270 I HA 0.057 4.244 4.170 0.028 0.000 0.292 270 I C 0.104 175.935 176.117 -0.476 0.000 1.060 270 I CA -0.386 60.775 61.300 -0.232 0.000 1.309 270 I CB 0.498 38.513 38.000 0.025 0.000 1.415 270 I HN 0.638 nan 8.210 nan 0.000 0.492 271 D N 5.740 125.897 120.400 -0.405 0.000 2.339 271 D HA 0.001 4.658 4.640 0.028 0.000 0.256 271 D C 0.982 177.089 176.300 -0.322 0.000 1.214 271 D CA -0.177 53.635 54.000 -0.313 0.000 0.877 271 D CB 0.713 41.424 40.800 -0.148 0.000 1.111 271 D HN 0.523 nan 8.370 nan 0.000 0.478 272 N N 3.397 121.820 118.700 -0.461 0.000 2.353 272 N HA 0.086 4.844 4.740 0.028 0.000 0.185 272 N C 1.364 176.459 175.510 -0.691 0.000 1.098 272 N CA 0.581 53.044 53.050 -0.979 0.000 0.872 272 N CB 0.317 38.007 38.487 -1.328 0.000 0.970 272 N HN 0.560 nan 8.380 nan 0.000 0.467 273 G N -0.764 107.742 108.800 -0.490 0.000 2.176 273 G HA2 -0.253 3.724 3.960 0.028 0.000 0.232 273 G HA3 -0.253 3.724 3.960 0.028 0.000 0.232 273 G C 0.106 174.714 174.900 -0.486 0.000 0.986 273 G CA 0.215 44.972 45.100 -0.573 0.000 0.643 273 G HN 0.355 nan 8.290 nan 0.000 0.522 274 F N -0.086 119.887 119.950 0.039 0.000 2.735 274 F HA 0.635 5.179 4.527 0.028 0.000 0.304 274 F C 1.007 176.918 175.800 0.184 0.000 1.119 274 F CA -0.480 57.590 58.000 0.117 0.000 1.280 274 F CB 0.568 39.612 39.000 0.074 0.000 0.994 274 F HN 0.217 nan 8.300 nan 0.000 0.520 275 M N 0.899 120.629 119.600 0.217 0.000 2.267 275 M HA 0.418 4.915 4.480 0.028 0.000 0.303 275 M C 0.352 176.689 176.300 0.062 0.000 1.164 275 M CA -0.259 55.138 55.300 0.160 0.000 1.060 275 M CB 0.768 33.399 32.600 0.052 0.000 1.455 275 M HN 0.032 nan 8.290 nan 0.000 0.483 276 R N 0.926 121.345 120.500 -0.135 0.000 2.580 276 R HA 0.249 4.606 4.340 0.028 0.000 0.267 276 R C -0.553 175.701 176.300 -0.076 0.000 1.125 276 R CA -0.766 55.271 56.100 -0.105 0.000 1.188 276 R CB 0.181 30.325 30.300 -0.261 0.000 1.155 276 R HN 0.614 nan 8.270 nan 0.000 0.586 277 K N 1.671 122.047 120.400 -0.040 0.000 2.366 277 K HA -0.103 4.234 4.320 0.028 0.000 0.279 277 K C 0.067 176.609 176.600 -0.098 0.000 1.098 277 K CA 1.068 57.290 56.287 -0.109 0.000 1.087 277 K CB 0.004 32.345 32.500 -0.265 0.000 0.901 277 K HN 0.683 nan 8.250 nan 0.000 0.463 278 R N 3.101 123.541 120.500 -0.100 0.000 3.322 278 R HA -0.216 4.141 4.340 0.028 0.000 0.253 278 R C 0.154 176.412 176.300 -0.069 0.000 0.987 278 R CA 1.944 57.996 56.100 -0.081 0.000 0.666 278 R CB -3.136 27.112 30.300 -0.087 0.000 1.072 278 R HN 0.950 nan 8.270 nan 0.000 0.447 279 E N -0.768 119.376 120.200 -0.093 0.000 2.511 279 E HA 0.041 4.408 4.350 0.028 0.000 0.209 279 E C 1.593 178.106 176.600 -0.145 0.000 0.986 279 E CA 0.727 57.055 56.400 -0.120 0.000 0.974 279 E CB 0.589 30.186 29.700 -0.172 0.000 1.030 279 E HN 0.882 nan 8.360 nan 0.000 0.490 280 S N -0.515 115.112 115.700 -0.123 0.000 2.575 280 S HA 0.075 4.562 4.470 0.028 0.000 0.215 280 S C 1.578 176.104 174.600 -0.124 0.000 0.966 280 S CA 0.015 58.114 58.200 -0.168 0.000 0.911 280 S CB 0.313 63.522 63.200 0.015 0.000 0.780 280 S HN 0.109 nan 8.310 nan 0.000 0.514 281 Q N 1.406 121.154 119.800 -0.085 0.000 2.287 281 Q HA 0.080 4.437 4.340 0.028 0.000 0.201 281 Q C 2.273 178.232 176.000 -0.068 0.000 0.946 281 Q CA 1.119 56.884 55.803 -0.063 0.000 0.868 281 Q CB -0.072 28.637 28.738 -0.047 0.000 0.967 281 Q HN 0.713 nan 8.270 nan 0.000 0.516 282 S N -0.415 115.243 115.700 -0.070 0.000 2.515 282 S HA -0.018 4.469 4.470 0.028 0.000 0.231 282 S C 1.740 176.295 174.600 -0.074 0.000 0.987 282 S CA 0.458 58.622 58.200 -0.059 0.000 0.936 282 S CB 0.112 63.285 63.200 -0.046 0.000 0.766 282 S HN 0.102 nan 8.310 nan 0.000 0.528 283 V N 1.435 121.286 119.914 -0.105 0.000 2.825 283 V HA 0.054 4.191 4.120 0.028 0.000 0.246 283 V C 2.619 178.649 176.094 -0.106 0.000 1.068 283 V CA 1.510 63.740 62.300 -0.117 0.000 1.088 283 V CB -0.316 31.406 31.823 -0.167 0.000 0.733 283 V HN 0.661 nan 8.190 nan 0.000 0.468 284 E N 0.618 120.753 120.200 -0.108 0.000 2.106 284 E HA -0.243 4.124 4.350 0.028 0.000 0.192 284 E C 2.031 178.603 176.600 -0.046 0.000 0.984 284 E CA 1.610 57.968 56.400 -0.070 0.000 0.806 284 E CB -0.042 29.626 29.700 -0.053 0.000 0.750 284 E HN 0.689 nan 8.360 nan 0.000 0.458 285 E N 0.149 120.322 120.200 -0.046 0.000 2.047 285 E HA -0.141 4.226 4.350 0.028 0.000 0.191 285 E C 2.089 178.670 176.600 -0.032 0.000 0.987 285 E CA 0.854 57.234 56.400 -0.034 0.000 0.799 285 E CB -0.124 29.557 29.700 -0.031 0.000 0.752 285 E HN 0.393 nan 8.360 nan 0.000 0.449 286 A N 1.042 123.839 122.820 -0.038 0.000 1.933 286 A HA -0.143 4.194 4.320 0.028 0.000 0.218 286 A C 2.151 179.716 177.584 -0.032 0.000 1.175 286 A CA 1.007 53.023 52.037 -0.035 0.000 0.628 286 A CB -0.505 18.471 19.000 -0.041 0.000 0.814 286 A HN 0.124 nan 8.150 nan 0.000 0.444 287 L N -0.977 120.225 121.223 -0.036 0.000 2.072 287 L HA -0.138 4.220 4.340 0.028 0.000 0.205 287 L C 2.585 179.442 176.870 -0.021 0.000 1.079 287 L CA 1.765 56.587 54.840 -0.029 0.000 0.752 287 L CB -0.330 41.710 42.059 -0.031 0.000 0.906 287 L HN 0.458 nan 8.230 nan 0.000 0.436 288 K N 1.035 121.423 120.400 -0.021 0.000 2.057 288 K HA -0.219 4.118 4.320 0.028 0.000 0.207 288 K C 2.406 178.997 176.600 -0.015 0.000 1.049 288 K CA 2.033 58.311 56.287 -0.015 0.000 0.931 288 K CB -0.105 32.386 32.500 -0.014 0.000 0.714 288 K HN 0.111 nan 8.250 nan 0.000 0.440 289 K N 0.878 121.268 120.400 -0.017 0.000 2.211 289 K HA -0.074 4.263 4.320 0.028 0.000 0.204 289 K C 1.804 178.395 176.600 -0.015 0.000 1.047 289 K CA 1.822 58.099 56.287 -0.016 0.000 0.935 289 K CB -0.877 31.613 32.500 -0.017 0.000 0.728 289 K HN 0.303 nan 8.250 nan 0.000 0.452 290 L N -0.405 120.808 121.223 -0.017 0.000 2.629 290 L HA 0.276 4.633 4.340 0.028 0.000 0.230 290 L C 1.466 178.328 176.870 -0.013 0.000 1.151 290 L CA 0.384 55.214 54.840 -0.016 0.000 0.924 290 L CB 0.008 42.055 42.059 -0.020 0.000 1.137 290 L HN 0.573 nan 8.230 nan 0.000 0.457 291 G N 0.841 109.635 108.800 -0.011 0.000 2.136 291 G HA2 -0.271 3.706 3.960 0.028 0.000 0.242 291 G HA3 -0.271 3.706 3.960 0.028 0.000 0.242 291 G C 0.076 174.972 174.900 -0.007 0.000 0.989 291 G CA -0.210 44.885 45.100 -0.008 0.000 0.682 291 G HN 0.322 nan 8.290 nan 0.000 0.522 292 I N 0.659 121.224 120.570 -0.008 0.000 2.330 292 I HA 0.410 4.597 4.170 0.028 0.000 0.289 292 I C 0.309 176.424 176.117 -0.003 0.000 1.001 292 I CA -0.890 60.407 61.300 -0.005 0.000 1.193 292 I CB 1.661 39.656 38.000 -0.007 0.000 1.345 292 I HN 0.134 nan 8.210 nan 0.000 0.461 293 Q N 5.704 125.506 119.800 0.002 0.000 2.243 293 Q HA 0.511 4.868 4.340 0.028 0.000 0.252 293 Q C -1.393 174.614 176.000 0.011 0.000 0.909 293 Q CA -0.305 55.501 55.803 0.005 0.000 0.922 293 Q CB 1.687 30.429 28.738 0.006 0.000 1.215 293 Q HN 0.502 nan 8.270 nan 0.000 0.427 294 V N 4.712 124.635 119.914 0.014 0.000 2.443 294 V HA 0.327 4.464 4.120 0.028 0.000 0.293 294 V C -0.536 175.579 176.094 0.035 0.000 1.021 294 V CA -0.945 61.372 62.300 0.028 0.000 0.848 294 V CB 1.536 33.373 31.823 0.025 0.000 0.998 294 V HN 0.783 nan 8.190 nan 0.000 0.424 295 K N 4.209 124.633 120.400 0.040 0.000 2.338 295 K HA 0.420 4.757 4.320 0.028 0.000 0.290 295 K C -0.780 175.853 176.600 0.055 0.000 1.069 295 K CA -0.211 56.097 56.287 0.035 0.000 0.941 295 K CB 0.794 33.308 32.500 0.023 0.000 1.023 295 K HN 0.512 nan 8.250 nan 0.000 0.477 296 V N 6.523 126.468 119.914 0.052 0.000 2.407 296 V HA 0.256 4.393 4.120 0.028 0.000 0.278 296 V C 0.115 176.223 176.094 0.023 0.000 1.037 296 V CA -0.786 61.556 62.300 0.070 0.000 0.900 296 V CB 1.229 33.103 31.823 0.085 0.000 0.983 296 V HN 0.655 nan 8.190 nan 0.000 0.459 297 I N 4.773 125.340 120.570 -0.005 0.000 2.328 297 I HA 0.333 4.520 4.170 0.028 0.000 0.287 297 I C 0.092 176.185 176.117 -0.041 0.000 1.012 297 I CA -0.408 60.877 61.300 -0.025 0.000 1.195 297 I CB 1.227 39.206 38.000 -0.035 0.000 1.350 297 I HN 0.557 nan 8.210 nan 0.000 0.464 298 N N 6.053 124.731 118.700 -0.036 0.000 2.663 298 N HA 0.255 5.012 4.740 0.028 0.000 0.250 298 N C 0.707 176.175 175.510 -0.070 0.000 1.129 298 N CA 0.021 53.033 53.050 -0.062 0.000 0.995 298 N CB 1.558 40.011 38.487 -0.056 0.000 1.324 298 N HN 0.682 nan 8.380 nan 0.000 0.512 299 A N 0.828 123.613 122.820 -0.058 0.000 2.503 299 A HA 0.382 4.719 4.320 0.028 0.000 0.263 299 A C 1.871 179.452 177.584 -0.006 0.000 1.258 299 A CA 0.157 52.206 52.037 0.021 0.000 0.936 299 A CB 0.128 19.227 19.000 0.165 0.000 1.070 299 A HN 0.510 nan 8.150 nan 0.000 0.522 300 A N 0.490 123.141 122.820 -0.281 0.000 1.882 300 A HA -0.319 4.018 4.320 0.028 0.000 0.220 300 A C 1.982 179.050 177.584 -0.860 0.000 1.253 300 A CA 2.224 53.827 52.037 -0.723 0.000 0.664 300 A CB -1.088 17.426 19.000 -0.809 0.000 0.838 300 A HN 0.623 nan 8.150 nan 0.000 0.460 301 H N -0.577 118.261 119.070 -0.387 0.000 2.421 301 H HA -0.046 4.527 4.556 0.029 0.000 0.298 301 H C 2.572 177.860 175.328 -0.067 0.000 1.087 301 H CA 1.401 57.358 56.048 -0.151 0.000 1.330 301 H CB -0.554 29.200 29.762 -0.014 0.000 1.388 301 H HN 0.491 nan 8.280 nan 0.000 0.526 302 S N -0.015 115.706 115.700 0.035 0.000 2.399 302 S HA -0.090 4.397 4.470 0.028 0.000 0.231 302 S C 1.863 176.415 174.600 -0.080 0.000 1.022 302 S CA 0.780 58.961 58.200 -0.031 0.000 0.983 302 S CB -0.181 62.962 63.200 -0.095 0.000 0.803 302 S HN 0.226 nan 8.310 nan 0.000 0.480 303 F N -0.052 119.850 119.950 -0.081 0.000 2.219 303 F HA 0.065 4.608 4.527 0.027 0.000 0.294 303 F C 1.995 177.927 175.800 0.219 0.000 1.086 303 F CA 0.614 58.645 58.000 0.052 0.000 1.330 303 F CB -0.594 38.440 39.000 0.057 0.000 1.047 303 F HN 0.165 nan 8.300 nan 0.000 0.495 304 Y N 0.171 120.650 120.300 0.297 0.000 2.151 304 Y HA -0.210 4.357 4.550 0.029 0.000 0.284 304 Y C 1.725 177.731 175.900 0.177 0.000 1.166 304 Y CA 0.923 59.163 58.100 0.234 0.000 1.163 304 Y CB -1.279 37.280 38.460 0.165 0.000 0.974 304 Y HN 0.111 nan 8.280 nan 0.000 0.511 305 N N 0.139 119.009 118.700 0.284 0.000 2.279 305 N HA 0.135 4.892 4.740 0.028 0.000 0.226 305 N C 0.740 176.302 175.510 0.087 0.000 1.126 305 N CA 0.346 53.487 53.050 0.152 0.000 0.846 305 N CB 0.442 38.992 38.487 0.105 0.000 1.050 305 N HN 0.164 nan 8.380 nan 0.000 0.502 306 G N -0.158 108.700 108.800 0.098 0.000 2.569 306 G HA2 0.321 4.298 3.960 0.028 0.000 0.249 306 G HA3 0.321 4.298 3.960 0.028 0.000 0.249 306 G C -0.295 174.626 174.900 0.035 0.000 1.216 306 G CA 0.345 45.454 45.100 0.015 0.000 0.845 306 G HN 0.012 nan 8.290 nan 0.000 0.568 307 T N -1.149 113.406 114.554 0.000 0.000 2.853 307 T HA 0.673 5.040 4.350 0.028 0.000 0.311 307 T C -0.741 173.962 174.700 0.004 0.000 1.307 307 T CA -0.254 61.853 62.100 0.012 0.000 1.019 307 T CB 2.121 70.993 68.868 0.006 0.000 1.264 307 T HN 0.743 nan 8.240 nan 0.000 0.497 308 T N 0.857 115.421 114.554 0.016 0.000 2.792 308 T HA 0.588 4.955 4.350 0.028 0.000 0.303 308 T C -0.940 173.774 174.700 0.022 0.000 1.310 308 T CA -0.413 61.700 62.100 0.020 0.000 1.007 308 T CB 1.455 70.344 68.868 0.035 0.000 1.335 308 T HN 0.658 nan 8.240 nan 0.000 0.504 309 T N 2.583 117.153 114.554 0.027 0.000 2.913 309 T HA 0.495 4.862 4.350 0.028 0.000 0.297 309 T C 0.131 174.845 174.700 0.025 0.000 1.029 309 T CA -0.427 61.687 62.100 0.024 0.000 1.104 309 T CB 0.204 69.089 68.868 0.028 0.000 0.964 309 T HN 0.363 nan 8.240 nan 0.000 0.532 310 L N 4.391 125.625 121.223 0.018 0.000 2.326 310 L HA 0.355 4.712 4.340 0.028 0.000 0.278 310 L C -1.099 175.779 176.870 0.015 0.000 1.092 310 L CA -1.752 53.097 54.840 0.015 0.000 0.810 310 L CB 0.446 42.511 42.059 0.010 0.000 1.153 310 L HN 0.562 nan 8.230 nan 0.000 0.439 323 I N 2.367 122.942 120.570 0.007 0.000 2.428 323 I HA 0.458 4.645 4.170 0.028 0.000 0.289 323 I C 1.514 177.637 176.117 0.010 0.000 1.019 323 I CA -0.390 60.915 61.300 0.008 0.000 1.351 323 I CB 1.857 39.860 38.000 0.005 0.000 1.412 323 I HN 0.881 nan 8.210 nan 0.000 0.513 324 S N 5.341 121.049 115.700 0.014 0.000 2.606 324 S HA 0.269 4.756 4.470 0.028 0.000 0.257 324 S C 0.210 174.820 174.600 0.017 0.000 1.327 324 S CA -0.577 57.633 58.200 0.017 0.000 0.984 324 S CB 0.555 63.769 63.200 0.023 0.000 0.941 324 S HN 0.531 nan 8.310 nan 0.000 0.576 325 K N 0.500 120.912 120.400 0.021 0.000 2.156 325 K HA 0.226 4.563 4.320 0.028 0.000 0.242 325 K C 0.591 177.210 176.600 0.031 0.000 1.033 325 K CA 0.054 56.353 56.287 0.020 0.000 0.878 325 K CB -0.049 32.467 32.500 0.025 0.000 1.057 325 K HN 0.864 nan 8.250 nan 0.000 0.505 326 T N -0.971 113.600 114.554 0.028 0.000 2.899 326 T HA 0.038 4.405 4.350 0.028 0.000 0.295 326 T C 1.205 175.961 174.700 0.094 0.000 1.033 326 T CA -0.759 61.374 62.100 0.055 0.000 1.084 326 T CB 0.691 69.586 68.868 0.044 0.000 0.979 326 T HN 0.450 nan 8.240 nan 0.000 0.532 327 L N 2.227 123.537 121.223 0.145 0.000 2.051 327 L HA -0.151 4.206 4.340 0.028 0.000 0.214 327 L C 2.010 179.012 176.870 0.220 0.000 1.076 327 L CA 2.223 57.184 54.840 0.202 0.000 0.758 327 L CB -1.274 40.973 42.059 0.314 0.000 0.890 327 L HN 0.952 nan 8.230 nan 0.000 0.433 328 N N -1.575 117.249 118.700 0.205 0.000 2.501 328 N HA -0.104 4.653 4.740 0.028 0.000 0.195 328 N C 0.957 176.516 175.510 0.081 0.000 1.213 328 N CA 0.803 53.951 53.050 0.164 0.000 0.864 328 N CB -0.344 38.205 38.487 0.104 0.000 0.999 328 N HN 0.486 nan 8.380 nan 0.000 0.454 329 M N -1.411 118.228 119.600 0.065 0.000 2.268 329 M HA 0.155 4.652 4.480 0.028 0.000 0.355 329 M C -0.467 175.946 176.300 0.189 0.000 0.938 329 M CA -0.088 55.157 55.300 -0.090 0.000 1.025 329 M CB 0.970 33.450 32.600 -0.200 0.000 1.773 329 M HN -0.143 nan 8.290 nan 0.000 0.613 330 T N 0.945 115.634 114.554 0.224 0.000 2.869 330 T HA 0.161 4.529 4.350 0.028 0.000 0.295 330 T C 1.330 176.145 174.700 0.192 0.000 0.987 330 T CA 0.175 62.379 62.100 0.174 0.000 1.109 330 T CB 1.360 70.289 68.868 0.101 0.000 0.932 330 T HN 0.396 nan 8.240 nan 0.000 0.518 331 T N -0.990 113.630 114.554 0.110 0.000 3.023 331 T HA 0.143 4.510 4.350 0.028 0.000 0.249 331 T C 1.232 175.893 174.700 -0.065 0.000 1.050 331 T CA -0.140 61.961 62.100 0.001 0.000 1.088 331 T CB 0.173 69.025 68.868 -0.027 0.000 0.946 331 T HN 0.454 nan 8.240 nan 0.000 0.480 332 S N 2.987 118.646 115.700 -0.069 0.000 2.481 332 S HA 0.299 4.786 4.470 0.028 0.000 0.276 332 S C -1.721 172.801 174.600 -0.130 0.000 1.247 332 S CA -1.351 56.762 58.200 -0.146 0.000 1.053 332 S CB 1.031 64.155 63.200 -0.128 0.000 0.925 332 S HN 0.061 nan 8.310 nan 0.000 0.491 333 P HA -0.048 nan 4.420 nan 0.000 0.220 333 P C 1.127 178.389 177.300 -0.063 0.000 1.148 333 P CA 0.853 63.895 63.100 -0.096 0.000 0.803 333 P CB 0.177 31.851 31.700 -0.044 0.000 0.782 334 E N -0.082 120.065 120.200 -0.088 0.000 2.072 334 E HA -0.186 4.181 4.350 0.028 0.000 0.191 334 E C 1.869 178.456 176.600 -0.022 0.000 0.985 334 E CA 1.052 57.429 56.400 -0.038 0.000 0.801 334 E CB -0.160 29.513 29.700 -0.045 0.000 0.750 334 E HN 0.401 nan 8.360 nan 0.000 0.452 335 E N 0.696 120.877 120.200 -0.031 0.000 2.072 335 E HA -0.170 4.197 4.350 0.028 0.000 0.191 335 E C 2.041 178.646 176.600 0.008 0.000 0.985 335 E CA 0.908 57.306 56.400 -0.004 0.000 0.801 335 E CB 0.032 29.730 29.700 -0.004 0.000 0.750 335 E HN 0.122 nan 8.360 nan 0.000 0.452 336 K N 0.690 121.084 120.400 -0.011 0.000 2.044 336 K HA -0.174 4.163 4.320 0.028 0.000 0.210 336 K C 2.255 178.847 176.600 -0.014 0.000 1.049 336 K CA 1.285 57.559 56.287 -0.021 0.000 0.927 336 K CB -0.169 32.286 32.500 -0.074 0.000 0.713 336 K HN 0.038 nan 8.250 nan 0.000 0.443 337 R N 0.907 121.397 120.500 -0.017 0.000 2.075 337 R HA -0.087 4.270 4.340 0.028 0.000 0.232 337 R C 2.409 178.734 176.300 0.041 0.000 1.126 337 R CA 1.226 57.323 56.100 -0.004 0.000 0.963 337 R CB -0.124 30.169 30.300 -0.010 0.000 0.858 337 R HN 0.132 nan 8.270 nan 0.000 0.435 338 K N 0.964 121.391 120.400 0.045 0.000 2.057 338 K HA -0.101 4.236 4.320 0.028 0.000 0.206 338 K C 2.028 178.680 176.600 0.086 0.000 1.050 338 K CA 1.183 57.512 56.287 0.071 0.000 0.935 338 K CB -0.025 32.507 32.500 0.055 0.000 0.715 338 K HN 0.059 nan 8.250 nan 0.000 0.439 339 I N 0.970 121.584 120.570 0.074 0.000 2.127 339 I HA -0.325 3.862 4.170 0.028 0.000 0.241 339 I C 2.239 178.433 176.117 0.129 0.000 1.075 339 I CA 1.365 62.715 61.300 0.084 0.000 1.334 339 I CB -0.224 37.831 38.000 0.092 0.000 1.040 339 I HN 0.180 nan 8.210 nan 0.000 0.405 340 I N 0.469 121.149 120.570 0.185 0.000 2.179 340 I HA -0.208 3.979 4.170 0.028 0.000 0.242 340 I C 2.671 178.984 176.117 0.328 0.000 1.088 340 I CA 1.637 63.145 61.300 0.346 0.000 1.357 340 I CB -0.893 37.240 38.000 0.221 0.000 1.051 340 I HN 0.282 nan 8.210 nan 0.000 0.409 341 G N 0.401 109.313 108.800 0.187 0.000 2.421 341 G HA2 -0.251 3.726 3.960 0.028 0.000 0.216 341 G HA3 -0.251 3.726 3.960 0.028 0.000 0.216 341 G C 1.247 176.225 174.900 0.131 0.000 1.171 341 G CA 1.005 46.210 45.100 0.175 0.000 0.775 341 G HN 0.269 nan 8.290 nan 0.000 0.543 342 D N 0.059 120.517 120.400 0.095 0.000 2.117 342 D HA -0.045 4.612 4.640 0.028 0.000 0.197 342 D C 2.780 179.021 176.300 -0.098 0.000 0.987 342 D CA 1.354 55.343 54.000 -0.018 0.000 0.829 342 D CB -0.531 40.307 40.800 0.062 0.000 0.961 342 D HN 0.221 nan 8.370 nan 0.000 0.460 343 T N 0.461 114.966 114.554 -0.083 0.000 2.708 343 T HA -0.146 4.221 4.350 0.028 0.000 0.266 343 T C 1.708 176.265 174.700 -0.239 0.000 1.037 343 T CA 0.714 62.638 62.100 -0.294 0.000 1.146 343 T CB -0.530 67.948 68.868 -0.649 0.000 0.865 343 T HN 0.122 nan 8.240 nan 0.000 0.435 344 F N 2.153 122.073 119.950 -0.051 0.000 2.065 344 F HA -0.206 4.337 4.527 0.026 0.000 0.298 344 F C 2.233 178.010 175.800 -0.038 0.000 1.112 344 F CA 1.229 59.316 58.000 0.144 0.000 1.212 344 F CB -0.660 38.477 39.000 0.229 0.000 0.975 344 F HN -0.074 nan 8.300 nan 0.000 0.476 345 V N 0.441 120.298 119.914 -0.094 0.000 2.407 345 V HA -0.295 3.842 4.120 0.028 0.000 0.248 345 V C 2.363 178.282 176.094 -0.291 0.000 1.055 345 V CA 2.197 64.335 62.300 -0.270 0.000 1.049 345 V CB -0.793 30.753 31.823 -0.463 0.000 0.662 345 V HN 0.297 nan 8.190 nan 0.000 0.455 346 K N -0.127 120.119 120.400 -0.256 0.000 2.057 346 K HA -0.081 4.256 4.320 0.028 0.000 0.207 346 K C 2.054 178.528 176.600 -0.209 0.000 1.049 346 K CA 1.589 57.753 56.287 -0.204 0.000 0.931 346 K CB -0.262 32.133 32.500 -0.176 0.000 0.714 346 K HN 0.408 nan 8.250 nan 0.000 0.440 347 I N 0.759 121.177 120.570 -0.252 0.000 2.252 347 I HA -0.238 3.949 4.170 0.028 0.000 0.245 347 I C 2.499 178.464 176.117 -0.253 0.000 1.102 347 I CA 0.860 62.023 61.300 -0.227 0.000 1.385 347 I CB -0.434 37.444 38.000 -0.203 0.000 1.064 347 I HN 0.129 nan 8.210 nan 0.000 0.414 348 A N 1.341 123.924 122.820 -0.394 0.000 1.869 348 A HA -0.350 3.988 4.320 0.028 0.000 0.218 348 A C 2.078 179.536 177.584 -0.210 0.000 1.203 348 A CA 2.760 54.572 52.037 -0.374 0.000 0.638 348 A CB -1.226 17.449 19.000 -0.542 0.000 0.831 348 A HN 0.507 nan 8.150 nan 0.000 0.450 349 N N -0.515 118.073 118.700 -0.186 0.000 2.137 349 N HA -0.237 4.520 4.740 0.028 0.000 0.190 349 N C 1.718 177.167 175.510 -0.101 0.000 1.017 349 N CA 1.939 54.916 53.050 -0.121 0.000 0.859 349 N CB -0.219 38.202 38.487 -0.111 0.000 1.002 349 N HN 0.636 nan 8.380 nan 0.000 0.428 350 E N -0.533 119.598 120.200 -0.114 0.000 2.077 350 E HA -0.106 4.261 4.350 0.028 0.000 0.193 350 E C 1.708 178.261 176.600 -0.078 0.000 0.989 350 E CA 1.169 57.515 56.400 -0.091 0.000 0.800 350 E CB -0.120 29.521 29.700 -0.099 0.000 0.746 350 E HN 0.209 nan 8.360 nan 0.000 0.452 351 V N 0.770 120.630 119.914 -0.090 0.000 2.358 351 V HA -0.212 3.925 4.120 0.028 0.000 0.246 351 V C 2.328 178.391 176.094 -0.053 0.000 1.047 351 V CA 1.697 63.956 62.300 -0.069 0.000 1.035 351 V CB -0.448 31.328 31.823 -0.078 0.000 0.658 351 V HN 0.336 nan 8.190 nan 0.000 0.452 352 I N 1.059 121.595 120.570 -0.058 0.000 2.286 352 I HA -0.170 4.017 4.170 0.028 0.000 0.248 352 I C 2.593 178.689 176.117 -0.036 0.000 1.115 352 I CA 1.714 62.989 61.300 -0.041 0.000 1.392 352 I CB -0.952 37.023 38.000 -0.043 0.000 1.065 352 I HN 0.396 nan 8.210 nan 0.000 0.418 353 G N 0.384 109.159 108.800 -0.042 0.000 2.418 353 G HA2 -0.221 3.756 3.960 0.028 0.000 0.217 353 G HA3 -0.221 3.756 3.960 0.028 0.000 0.217 353 G C 1.533 176.415 174.900 -0.030 0.000 1.158 353 G CA 0.557 45.636 45.100 -0.036 0.000 0.771 353 G HN 0.405 nan 8.290 nan 0.000 0.545 354 E N -0.469 119.712 120.200 -0.031 0.000 2.347 354 E HA 0.137 4.504 4.350 0.028 0.000 0.196 354 E C 2.264 178.853 176.600 -0.019 0.000 1.008 354 E CA 0.243 56.628 56.400 -0.026 0.000 0.852 354 E CB -0.026 29.657 29.700 -0.028 0.000 0.783 354 E HN 0.409 nan 8.360 nan 0.000 0.505 355 M N 0.272 119.861 119.600 -0.019 0.000 2.495 355 M HA 0.053 4.551 4.480 0.028 0.000 0.237 355 M C -0.201 176.093 176.300 -0.010 0.000 1.131 355 M CA 0.080 55.373 55.300 -0.012 0.000 1.032 355 M CB 0.441 33.036 32.600 -0.010 0.000 1.513 355 M HN -0.036 nan 8.290 nan 0.000 0.488 356 N N 1.284 119.975 118.700 -0.014 0.000 2.725 356 N HA -0.155 4.602 4.740 0.028 0.000 0.249 356 N C -0.939 174.564 175.510 -0.012 0.000 1.103 356 N CA 0.702 53.744 53.050 -0.013 0.000 0.707 356 N CB -1.897 36.584 38.487 -0.010 0.000 1.043 356 N HN 0.404 nan 8.380 nan 0.000 0.553 357 L N 0.907 122.123 121.223 -0.013 0.000 2.315 357 L HA 0.179 4.536 4.340 0.028 0.000 0.283 357 L C 0.980 177.838 176.870 -0.021 0.000 1.089 357 L CA -0.069 54.763 54.840 -0.012 0.000 0.833 357 L CB 0.551 42.606 42.059 -0.007 0.000 1.170 357 L HN -0.181 nan 8.230 nan 0.000 0.442 358 K N 4.887 125.273 120.400 -0.022 0.000 2.339 358 K HA 0.156 4.493 4.320 0.028 0.000 0.286 358 K C -1.571 175.000 176.600 -0.049 0.000 1.050 358 K CA -1.566 54.703 56.287 -0.031 0.000 0.956 358 K CB 1.048 33.532 32.500 -0.027 0.000 0.990 358 K HN 0.248 nan 8.250 nan 0.000 0.475 359 P HA -0.189 nan 4.420 nan 0.000 0.219 359 P C 1.073 178.300 177.300 -0.122 0.000 1.146 359 P CA 1.237 64.286 63.100 -0.085 0.000 0.808 359 P CB 0.217 31.878 31.700 -0.066 0.000 0.779 360 E N -0.266 119.880 120.200 -0.090 0.000 2.418 360 E HA 0.007 4.374 4.350 0.028 0.000 0.197 360 E C 1.437 177.976 176.600 -0.101 0.000 1.026 360 E CA 1.527 57.872 56.400 -0.092 0.000 0.862 360 E CB -1.158 28.510 29.700 -0.054 0.000 0.799 360 E HN 0.470 nan 8.360 nan 0.000 0.518 361 E N -0.987 119.156 120.200 -0.094 0.000 3.191 361 E HA 0.572 4.939 4.350 0.028 0.000 0.192 361 E C -0.241 176.329 176.600 -0.051 0.000 0.972 361 E CA 0.242 56.605 56.400 -0.061 0.000 1.266 361 E CB 0.469 30.159 29.700 -0.017 0.000 1.076 361 E HN 0.319 nan 8.360 nan 0.000 0.462 362 V N -0.312 119.514 119.914 -0.146 0.000 3.147 362 V HA 0.810 4.947 4.120 0.028 0.000 0.306 362 V C -1.625 174.319 176.094 -0.251 0.000 1.209 362 V CA -0.929 61.328 62.300 -0.071 0.000 1.023 362 V CB 2.190 33.997 31.823 -0.026 0.000 1.059 362 V HN 0.473 nan 8.190 nan 0.000 0.435 363 F N 2.549 122.509 119.950 0.017 0.000 2.561 363 F HA 0.771 5.311 4.527 0.022 0.000 0.321 363 F C -0.461 175.354 175.800 0.024 0.000 1.065 363 F CA -0.743 57.270 58.000 0.022 0.000 0.934 363 F CB 1.989 41.003 39.000 0.024 0.000 1.215 363 F HN 0.292 nan 8.300 nan 0.000 0.471 364 L N 2.543 123.897 121.223 0.218 0.000 2.333 364 L HA 0.877 5.234 4.340 0.028 0.000 0.280 364 L C -0.913 176.053 176.870 0.159 0.000 1.004 364 L CA -0.471 54.460 54.840 0.151 0.000 0.820 364 L CB 1.198 43.315 42.059 0.097 0.000 1.247 364 L HN 0.648 nan 8.230 nan 0.000 0.416 365 A N 4.903 127.799 122.820 0.126 0.000 2.342 365 A HA 0.817 5.154 4.320 0.028 0.000 0.323 365 A C -0.984 176.656 177.584 0.093 0.000 1.125 365 A CA -0.557 51.541 52.037 0.103 0.000 0.785 365 A CB 1.080 20.126 19.000 0.077 0.000 1.221 365 A HN 0.730 nan 8.150 nan 0.000 0.463 366 Q N 0.726 120.578 119.800 0.087 0.000 2.377 366 Q HA 0.478 4.835 4.340 0.028 0.000 0.271 366 Q C 0.701 176.742 176.000 0.069 0.000 1.077 366 Q CA -0.471 55.381 55.803 0.083 0.000 0.820 366 Q CB 2.137 30.925 28.738 0.084 0.000 1.347 366 Q HN 0.877 nan 8.270 nan 0.000 0.444 367 G N 1.191 110.028 108.800 0.062 0.000 2.956 367 G HA2 -0.036 3.941 3.960 0.028 0.000 0.207 367 G HA3 -0.036 3.941 3.960 0.028 0.000 0.207 367 G C 0.285 175.217 174.900 0.053 0.000 1.162 367 G CA -0.029 45.103 45.100 0.052 0.000 0.796 367 G HN 0.457 nan 8.290 nan 0.000 0.527 368 T N 1.344 115.932 114.554 0.055 0.000 2.908 368 T HA 0.081 4.448 4.350 0.028 0.000 0.301 368 T C 1.613 176.346 174.700 0.055 0.000 1.019 368 T CA -0.137 61.993 62.100 0.050 0.000 1.152 368 T CB 1.525 70.422 68.868 0.049 0.000 0.966 368 T HN -0.009 nan 8.240 nan 0.000 0.540 369 L N 2.267 123.521 121.223 0.052 0.000 2.131 369 L HA 0.090 4.447 4.340 0.028 0.000 0.206 369 L C 1.518 178.408 176.870 0.034 0.000 1.087 369 L CA 1.182 56.052 54.840 0.051 0.000 0.767 369 L CB -0.033 42.059 42.059 0.055 0.000 0.917 369 L HN 0.496 nan 8.230 nan 0.000 0.441 370 R N 0.830 121.351 120.500 0.035 0.000 2.587 370 R HA 0.275 4.632 4.340 0.028 0.000 0.283 370 R C -2.351 173.969 176.300 0.034 0.000 1.472 370 R CA -1.490 54.628 56.100 0.030 0.000 1.578 370 R CB 0.691 31.011 30.300 0.033 0.000 1.130 370 R HN 0.048 nan 8.270 nan 0.000 0.602 371 P HA 0.083 nan 4.420 nan 0.000 0.274 371 P C -0.985 176.337 177.300 0.038 0.000 1.237 371 P CA -0.209 62.916 63.100 0.041 0.000 0.793 371 P CB 0.894 32.622 31.700 0.047 0.000 0.977 372 D N -0.600 119.823 120.400 0.039 0.000 2.601 372 D HA 0.263 4.920 4.640 0.028 0.000 0.230 372 D C 1.043 177.367 176.300 0.040 0.000 1.106 372 D CA -0.858 53.163 54.000 0.036 0.000 0.873 372 D CB 0.939 41.758 40.800 0.032 0.000 1.515 372 D HN 0.037 nan 8.370 nan 0.000 0.468 373 L N -0.225 121.020 121.223 0.036 0.000 2.027 373 L HA 0.116 4.473 4.340 0.028 0.000 0.206 373 L C 0.574 177.466 176.870 0.036 0.000 1.074 373 L CA 1.006 55.868 54.840 0.037 0.000 0.745 373 L CB -0.181 41.897 42.059 0.032 0.000 0.898 373 L HN 0.457 nan 8.230 nan 0.000 0.433 374 I N -0.459 120.129 120.570 0.031 0.000 2.436 374 I HA 0.175 4.362 4.170 0.028 0.000 0.289 374 I C -0.353 175.780 176.117 0.026 0.000 1.010 374 I CA -0.615 60.701 61.300 0.028 0.000 1.098 374 I CB 2.153 40.166 38.000 0.021 0.000 1.266 374 I HN -0.075 nan 8.210 nan 0.000 0.434 375 E N 4.230 124.446 120.200 0.027 0.000 2.277 375 E HA 0.260 4.627 4.350 0.028 0.000 0.274 375 E C -0.443 176.166 176.600 0.014 0.000 1.022 375 E CA -0.211 56.203 56.400 0.024 0.000 0.853 375 E CB 1.504 31.223 29.700 0.031 0.000 1.086 375 E HN 0.456 nan 8.360 nan 0.000 0.397 376 S N 2.753 118.460 115.700 0.012 0.000 2.505 376 S HA 0.363 4.850 4.470 0.028 0.000 0.276 376 S C 0.922 175.524 174.600 0.004 0.000 1.274 376 S CA 0.134 58.338 58.200 0.007 0.000 1.053 376 S CB 0.578 63.782 63.200 0.008 0.000 0.919 376 S HN 0.614 nan 8.310 nan 0.000 0.490 377 A N 4.593 127.412 122.820 -0.001 0.000 2.019 377 A HA -0.011 4.326 4.320 0.028 0.000 0.219 377 A C 2.283 179.868 177.584 0.002 0.000 1.164 377 A CA 1.860 53.894 52.037 -0.006 0.000 0.644 377 A CB -0.839 18.155 19.000 -0.010 0.000 0.805 377 A HN 0.807 nan 8.150 nan 0.000 0.449 378 S N -0.429 115.273 115.700 0.004 0.000 2.368 378 S HA -0.114 4.373 4.470 0.028 0.000 0.224 378 S C 1.791 176.396 174.600 0.008 0.000 1.029 378 S CA 1.362 59.566 58.200 0.007 0.000 0.988 378 S CB -0.363 62.840 63.200 0.006 0.000 0.838 378 S HN 0.415 nan 8.310 nan 0.000 0.462 379 L N 1.985 123.212 121.223 0.006 0.000 2.093 379 L HA -0.010 4.348 4.340 0.028 0.000 0.208 379 L C 2.223 179.096 176.870 0.005 0.000 1.085 379 L CA 1.248 56.090 54.840 0.004 0.000 0.755 379 L CB -0.824 41.238 42.059 0.004 0.000 0.904 379 L HN 0.115 nan 8.230 nan 0.000 0.435 380 V N -0.038 119.883 119.914 0.012 0.000 2.252 380 V HA -0.367 3.770 4.120 0.028 0.000 0.249 380 V C 2.635 178.742 176.094 0.021 0.000 1.056 380 V CA 1.919 64.233 62.300 0.023 0.000 1.022 380 V CB -1.479 30.363 31.823 0.031 0.000 0.641 380 V HN 0.571 nan 8.190 nan 0.000 0.445 381 A N -0.292 122.539 122.820 0.019 0.000 2.168 381 A HA -0.068 4.269 4.320 0.028 0.000 0.215 381 A C 2.296 179.890 177.584 0.017 0.000 1.152 381 A CA 1.809 53.858 52.037 0.020 0.000 0.716 381 A CB -0.310 18.702 19.000 0.019 0.000 0.794 381 A HN 0.725 nan 8.150 nan 0.000 0.465 382 S N -3.290 112.417 115.700 0.010 0.000 2.589 382 S HA 0.536 5.023 4.470 0.028 0.000 0.235 382 S C 0.780 175.372 174.600 -0.013 0.000 1.051 382 S CA 0.788 58.995 58.200 0.011 0.000 0.978 382 S CB 0.307 63.515 63.200 0.014 0.000 0.929 382 S HN 1.260 nan 8.310 nan 0.000 0.523 383 G N 0.936 109.721 108.800 -0.025 0.000 2.435 383 G HA2 0.361 4.338 3.960 0.028 0.000 0.296 383 G HA3 0.361 4.338 3.960 0.028 0.000 0.296 383 G C -1.825 173.043 174.900 -0.053 0.000 1.240 383 G CA -0.871 44.199 45.100 -0.050 0.000 0.872 383 G HN 0.273 nan 8.290 nan 0.000 0.480 384 K N 0.404 120.762 120.400 -0.070 0.000 2.489 384 K HA 0.505 4.842 4.320 0.028 0.000 0.278 384 K C -0.223 176.357 176.600 -0.034 0.000 1.000 384 K CA 0.698 56.945 56.287 -0.067 0.000 1.012 384 K CB 0.511 32.959 32.500 -0.086 0.000 0.903 384 K HN 1.179 nan 8.250 nan 0.000 0.485 385 A N 3.796 126.601 122.820 -0.024 0.000 2.597 385 A HA 0.241 4.578 4.320 0.028 0.000 0.292 385 A C -1.544 176.047 177.584 0.012 0.000 1.057 385 A CA -0.792 51.246 52.037 0.001 0.000 0.674 385 A CB 0.968 19.974 19.000 0.011 0.000 1.278 385 A HN 0.759 nan 8.150 nan 0.000 0.416 386 E N 1.219 121.438 120.200 0.032 0.000 2.052 386 E HA 0.322 4.689 4.350 0.028 0.000 0.283 386 E C 0.489 177.140 176.600 0.085 0.000 1.071 386 E CA -0.273 56.158 56.400 0.052 0.000 0.851 386 E CB 0.583 30.317 29.700 0.056 0.000 1.066 386 E HN 0.559 nan 8.360 nan 0.000 0.396 387 L N 3.932 125.222 121.223 0.111 0.000 2.141 387 L HA -0.160 4.197 4.340 0.028 0.000 0.209 387 L C 2.236 179.262 176.870 0.260 0.000 1.094 387 L CA 1.023 55.987 54.840 0.205 0.000 0.763 387 L CB -0.396 41.790 42.059 0.213 0.000 0.908 387 L HN 0.668 nan 8.230 nan 0.000 0.437 388 I N -3.341 117.346 120.570 0.196 0.000 3.111 388 I HA -0.088 4.099 4.170 0.028 0.000 0.272 388 I C 1.414 177.610 176.117 0.131 0.000 1.268 388 I CA 0.930 62.335 61.300 0.174 0.000 1.467 388 I CB -0.192 37.894 38.000 0.143 0.000 1.087 388 I HN 0.011 nan 8.210 nan 0.000 0.467 389 K N 1.618 122.083 120.400 0.107 0.000 2.520 389 K HA 0.290 4.627 4.320 0.028 0.000 0.205 389 K C 0.272 176.908 176.600 0.061 0.000 1.035 389 K CA 0.111 56.444 56.287 0.077 0.000 1.188 389 K CB -0.030 32.508 32.500 0.063 0.000 0.894 389 K HN 0.311 nan 8.250 nan 0.000 0.497 390 T N -0.510 114.080 114.554 0.060 0.000 2.916 390 T HA 0.185 4.552 4.350 0.028 0.000 0.292 390 T C -1.243 173.435 174.700 -0.037 0.000 1.055 390 T CA -0.694 61.402 62.100 -0.005 0.000 1.009 390 T CB 1.116 69.943 68.868 -0.068 0.000 1.118 390 T HN 0.346 nan 8.240 nan 0.000 0.497 391 H N 2.782 121.772 119.070 -0.133 0.000 2.848 391 H HA 0.349 4.921 4.556 0.027 0.000 0.317 391 H C -0.094 175.085 175.328 -0.248 0.000 1.046 391 H CA 0.286 56.270 56.048 -0.108 0.000 1.470 391 H CB 0.184 29.908 29.762 -0.064 0.000 1.483 391 H HN 0.468 nan 8.280 nan 0.000 0.548 392 H N 3.542 122.300 119.070 -0.521 0.000 2.771 392 H HA 0.250 4.822 4.556 0.027 0.000 0.367 392 H C -0.130 174.848 175.328 -0.583 0.000 1.172 392 H CA -0.984 54.839 56.048 -0.374 0.000 1.186 392 H CB 1.491 31.155 29.762 -0.163 0.000 1.790 392 H HN 0.692 nan 8.280 nan 0.000 0.556 393 N N 1.316 119.947 118.700 -0.116 0.000 2.479 393 N HA 0.001 4.758 4.740 0.028 0.000 0.285 393 N C -0.655 174.829 175.510 -0.044 0.000 1.075 393 N CA 0.058 53.067 53.050 -0.069 0.000 0.967 393 N CB 0.830 39.335 38.487 0.031 0.000 1.137 393 N HN 0.577 nan 8.380 nan 0.000 0.472 394 D N 0.136 120.512 120.400 -0.040 0.000 2.775 394 D HA -0.120 4.537 4.640 0.028 0.000 0.235 394 D C -0.495 175.773 176.300 -0.054 0.000 1.120 394 D CA 1.056 55.034 54.000 -0.037 0.000 0.708 394 D CB -1.492 39.288 40.800 -0.033 0.000 1.084 394 D HN 0.629 nan 8.370 nan 0.000 0.434 395 T N -3.022 111.497 114.554 -0.058 0.000 3.658 395 T HA 0.437 4.804 4.350 0.028 0.000 0.245 395 T C 0.922 175.599 174.700 -0.038 0.000 1.292 395 T CA -0.606 61.459 62.100 -0.057 0.000 1.598 395 T CB 1.387 70.218 68.868 -0.061 0.000 0.861 395 T HN -0.039 nan 8.240 nan 0.000 0.663 396 E N 1.288 121.469 120.200 -0.030 0.000 2.072 396 E HA -0.051 4.316 4.350 0.028 0.000 0.191 396 E C 1.552 178.142 176.600 -0.017 0.000 0.985 396 E CA 1.037 57.427 56.400 -0.016 0.000 0.801 396 E CB -0.336 29.356 29.700 -0.013 0.000 0.750 396 E HN 0.430 nan 8.360 nan 0.000 0.452 397 L N 0.351 121.558 121.223 -0.027 0.000 2.093 397 L HA -0.013 4.344 4.340 0.028 0.000 0.208 397 L C 2.355 179.212 176.870 -0.023 0.000 1.085 397 L CA 1.345 56.168 54.840 -0.028 0.000 0.755 397 L CB -0.833 41.205 42.059 -0.035 0.000 0.904 397 L HN 0.270 nan 8.230 nan 0.000 0.435 398 I N -0.989 119.567 120.570 -0.022 0.000 2.252 398 I HA -0.277 3.910 4.170 0.028 0.000 0.245 398 I C 2.771 178.895 176.117 0.012 0.000 1.102 398 I CA 0.835 62.132 61.300 -0.005 0.000 1.385 398 I CB -0.183 37.813 38.000 -0.007 0.000 1.064 398 I HN 0.242 nan 8.210 nan 0.000 0.414 399 R N 1.344 121.851 120.500 0.011 0.000 2.083 399 R HA -0.231 4.126 4.340 0.028 0.000 0.237 399 R C 2.266 178.575 176.300 0.016 0.000 1.137 399 R CA 1.798 57.913 56.100 0.024 0.000 0.951 399 R CB -0.094 30.222 30.300 0.027 0.000 0.851 399 R HN 0.226 nan 8.270 nan 0.000 0.434 400 K N 0.180 120.581 120.400 0.001 0.000 2.097 400 K HA -0.113 4.224 4.320 0.028 0.000 0.206 400 K C 2.154 178.740 176.600 -0.023 0.000 1.049 400 K CA 1.399 57.679 56.287 -0.011 0.000 0.933 400 K CB -0.110 32.378 32.500 -0.020 0.000 0.717 400 K HN 0.218 nan 8.250 nan 0.000 0.442 401 L N 0.403 121.612 121.223 -0.024 0.000 2.046 401 L HA -0.200 4.157 4.340 0.028 0.000 0.208 401 L C 2.712 179.575 176.870 -0.011 0.000 1.077 401 L CA 1.230 56.049 54.840 -0.036 0.000 0.747 401 L CB -0.327 41.719 42.059 -0.022 0.000 0.896 401 L HN 0.197 nan 8.230 nan 0.000 0.432 402 R N 0.047 120.556 120.500 0.014 0.000 2.062 402 R HA -0.141 4.216 4.340 0.028 0.000 0.231 402 R C 2.185 178.499 176.300 0.023 0.000 1.136 402 R CA 1.306 57.425 56.100 0.031 0.000 0.948 402 R CB -0.024 30.304 30.300 0.046 0.000 0.845 402 R HN 0.303 nan 8.270 nan 0.000 0.430 403 E N 0.641 120.851 120.200 0.017 0.000 2.153 403 E HA -0.196 4.171 4.350 0.028 0.000 0.194 403 E C 1.551 178.152 176.600 0.003 0.000 0.988 403 E CA 1.249 57.658 56.400 0.014 0.000 0.811 403 E CB -0.036 29.672 29.700 0.014 0.000 0.746 403 E HN 0.559 nan 8.360 nan 0.000 0.466 404 E N -0.293 119.898 120.200 -0.015 0.000 2.481 404 E HA 0.090 4.458 4.350 0.028 0.000 0.195 404 E C 0.579 177.162 176.600 -0.029 0.000 1.047 404 E CA 0.310 56.691 56.400 -0.032 0.000 0.867 404 E CB 0.291 29.953 29.700 -0.063 0.000 0.858 404 E HN 0.329 nan 8.360 nan 0.000 0.513 405 G N 2.009 110.806 108.800 -0.005 0.000 2.204 405 G HA2 -0.231 3.746 3.960 0.028 0.000 0.244 405 G HA3 -0.231 3.746 3.960 0.028 0.000 0.244 405 G C 0.546 175.472 174.900 0.043 0.000 1.062 405 G CA -0.003 45.116 45.100 0.031 0.000 0.798 405 G HN 0.034 nan 8.290 nan 0.000 0.496 406 K N -0.445 119.949 120.400 -0.011 0.000 2.373 406 K HA 0.307 4.644 4.320 0.028 0.000 0.202 406 K C 0.808 177.500 176.600 0.154 0.000 1.025 406 K CA 0.024 56.270 56.287 -0.068 0.000 1.115 406 K CB 1.243 33.546 32.500 -0.329 0.000 0.858 406 K HN 0.375 nan 8.250 nan 0.000 0.525 407 V N 4.163 124.160 119.914 0.138 0.000 2.364 407 V HA 0.354 4.491 4.120 0.028 0.000 0.272 407 V C 0.356 176.546 176.094 0.160 0.000 1.036 407 V CA -0.798 61.589 62.300 0.145 0.000 0.880 407 V CB 0.711 32.594 31.823 0.099 0.000 0.991 407 V HN 0.119 nan 8.190 nan 0.000 0.460 408 I N 1.632 122.300 120.570 0.163 0.000 2.693 408 I HA 0.820 5.007 4.170 0.028 0.000 0.303 408 I C -0.647 175.522 176.117 0.087 0.000 1.025 408 I CA -0.906 60.464 61.300 0.116 0.000 1.086 408 I CB 2.497 40.545 38.000 0.079 0.000 1.268 408 I HN 0.382 nan 8.210 nan 0.000 0.440 409 E N 4.732 124.975 120.200 0.072 0.000 2.873 409 E HA 0.338 4.705 4.350 0.028 0.000 0.232 409 E C -2.150 174.495 176.600 0.075 0.000 1.123 409 E CA -1.462 54.981 56.400 0.071 0.000 0.809 409 E CB 1.481 31.222 29.700 0.068 0.000 1.366 409 E HN 0.461 nan 8.360 nan 0.000 0.400 410 P HA -0.198 nan 4.420 nan 0.000 0.217 410 P C 0.642 178.053 177.300 0.186 0.000 1.151 410 P CA 1.188 64.350 63.100 0.105 0.000 0.849 410 P CB 0.285 32.032 31.700 0.078 0.000 0.787 411 L N -0.579 120.746 121.223 0.170 0.000 2.591 411 L HA 0.057 4.415 4.340 0.028 0.000 0.228 411 L C 2.206 179.212 176.870 0.225 0.000 1.133 411 L CA 0.329 55.325 54.840 0.260 0.000 0.880 411 L CB -0.728 41.415 42.059 0.139 0.000 1.033 411 L HN 0.128 nan 8.230 nan 0.000 0.450 412 K N -0.607 119.866 120.400 0.121 0.000 2.280 412 K HA -0.154 4.183 4.320 0.028 0.000 0.202 412 K C 0.463 177.048 176.600 -0.024 0.000 1.047 412 K CA 1.291 57.606 56.287 0.046 0.000 0.942 412 K CB -0.034 32.487 32.500 0.035 0.000 0.739 412 K HN 0.243 nan 8.250 nan 0.000 0.457 413 D N -0.123 120.229 120.400 -0.080 0.000 2.388 413 D HA 0.156 4.813 4.640 0.028 0.000 0.221 413 D C -0.804 175.208 176.300 -0.480 0.000 1.133 413 D CA 0.116 53.959 54.000 -0.261 0.000 0.831 413 D CB 0.099 40.721 40.800 -0.297 0.000 0.962 413 D HN 0.068 nan 8.370 nan 0.000 0.502 414 F N 0.194 120.112 119.950 -0.052 0.000 2.546 414 F HA 0.296 4.841 4.527 0.032 0.000 0.320 414 F C 1.074 176.808 175.800 -0.110 0.000 1.076 414 F CA -0.901 57.088 58.000 -0.018 0.000 0.928 414 F CB 1.413 40.422 39.000 0.016 0.000 1.189 414 F HN -0.146 nan 8.300 nan 0.000 0.465 415 H N 0.527 119.745 119.070 0.246 0.000 2.499 415 H HA 0.177 4.761 4.556 0.047 0.000 0.352 415 H C 0.776 176.194 175.328 0.150 0.000 1.237 415 H CA -0.574 55.572 56.048 0.163 0.000 1.343 415 H CB 1.353 31.191 29.762 0.126 0.000 1.578 415 H HN 0.441 nan 8.280 nan 0.000 0.577 416 K N 1.032 121.573 120.400 0.235 0.000 2.044 416 K HA -0.181 4.156 4.320 0.028 0.000 0.210 416 K C 1.292 177.974 176.600 0.137 0.000 1.049 416 K CA 2.177 58.561 56.287 0.161 0.000 0.927 416 K CB -0.580 32.010 32.500 0.149 0.000 0.713 416 K HN 0.675 nan 8.250 nan 0.000 0.443 417 D N -0.128 120.359 120.400 0.145 0.000 2.218 417 D HA -0.177 4.480 4.640 0.028 0.000 0.204 417 D C 1.152 177.513 176.300 0.101 0.000 0.976 417 D CA 1.330 55.393 54.000 0.106 0.000 0.853 417 D CB -0.406 40.447 40.800 0.088 0.000 0.939 417 D HN 0.522 nan 8.370 nan 0.000 0.481 418 E N 0.142 120.430 120.200 0.146 0.000 2.230 418 E HA -0.005 4.362 4.350 0.028 0.000 0.192 418 E C 2.226 178.828 176.600 0.002 0.000 0.987 418 E CA 0.210 56.687 56.400 0.128 0.000 0.841 418 E CB 0.214 30.089 29.700 0.292 0.000 0.783 418 E HN 0.121 nan 8.360 nan 0.000 0.481 419 V N 1.634 121.555 119.914 0.012 0.000 2.332 419 V HA -0.293 3.844 4.120 0.028 0.000 0.248 419 V C 2.199 178.252 176.094 -0.067 0.000 1.055 419 V CA 1.903 64.165 62.300 -0.064 0.000 1.038 419 V CB -0.497 31.326 31.823 0.000 0.000 0.651 419 V HN 0.212 nan 8.190 nan 0.000 0.450 420 R N -0.311 120.177 120.500 -0.021 0.000 2.075 420 R HA -0.032 4.325 4.340 0.028 0.000 0.232 420 R C 2.277 178.558 176.300 -0.033 0.000 1.126 420 R CA 1.513 57.600 56.100 -0.021 0.000 0.963 420 R CB -0.433 29.868 30.300 0.002 0.000 0.858 420 R HN 0.418 nan 8.270 nan 0.000 0.435 421 I N 0.684 121.240 120.570 -0.024 0.000 2.163 421 I HA -0.291 3.896 4.170 0.028 0.000 0.243 421 I C 2.279 178.356 176.117 -0.065 0.000 1.085 421 I CA 0.965 62.250 61.300 -0.025 0.000 1.347 421 I CB -0.215 37.789 38.000 0.007 0.000 1.044 421 I HN 0.109 nan 8.210 nan 0.000 0.408 422 L N 1.003 122.152 121.223 -0.124 0.000 2.017 422 L HA -0.119 4.238 4.340 0.028 0.000 0.208 422 L C 2.413 179.202 176.870 -0.135 0.000 1.073 422 L CA 2.223 56.948 54.840 -0.191 0.000 0.745 422 L CB -1.242 40.588 42.059 -0.382 0.000 0.894 422 L HN 0.225 nan 8.230 nan 0.000 0.432 423 G N -1.135 107.600 108.800 -0.110 0.000 2.440 423 G HA2 -0.286 3.691 3.960 0.028 0.000 0.218 423 G HA3 -0.286 3.691 3.960 0.028 0.000 0.218 423 G C 1.785 176.649 174.900 -0.059 0.000 1.154 423 G CA 0.872 45.926 45.100 -0.077 0.000 0.767 423 G HN 0.363 nan 8.290 nan 0.000 0.552 424 R N 0.193 120.662 120.500 -0.052 0.000 2.081 424 R HA -0.007 4.350 4.340 0.028 0.000 0.235 424 R C 2.569 178.845 176.300 -0.041 0.000 1.131 424 R CA 1.401 57.477 56.100 -0.040 0.000 0.960 424 R CB -0.266 30.015 30.300 -0.031 0.000 0.856 424 R HN 0.439 nan 8.270 nan 0.000 0.436 425 E N 0.513 120.684 120.200 -0.048 0.000 2.153 425 E HA -0.148 4.219 4.350 0.028 0.000 0.194 425 E C 1.678 178.251 176.600 -0.045 0.000 0.988 425 E CA 0.826 57.199 56.400 -0.045 0.000 0.811 425 E CB 0.017 29.686 29.700 -0.052 0.000 0.746 425 E HN 0.295 nan 8.360 nan 0.000 0.466 426 L N -0.502 120.688 121.223 -0.054 0.000 2.610 426 L HA 0.066 4.423 4.340 0.028 0.000 0.232 426 L C 1.386 178.233 176.870 -0.038 0.000 1.149 426 L CA 0.472 55.283 54.840 -0.048 0.000 0.872 426 L CB 0.042 42.066 42.059 -0.059 0.000 0.992 426 L HN 0.313 nan 8.230 nan 0.000 0.447 427 G N -0.061 108.717 108.800 -0.037 0.000 2.157 427 G HA2 -0.259 3.718 3.960 0.028 0.000 0.239 427 G HA3 -0.259 3.718 3.960 0.028 0.000 0.239 427 G C 0.198 175.079 174.900 -0.031 0.000 0.982 427 G CA -0.373 44.709 45.100 -0.031 0.000 0.650 427 G HN 0.186 nan 8.290 nan 0.000 0.527 428 L N 1.472 122.673 121.223 -0.036 0.000 2.456 428 L HA 0.364 4.721 4.340 0.028 0.000 0.272 428 L C -1.434 175.415 176.870 -0.034 0.000 1.189 428 L CA -1.719 53.099 54.840 -0.036 0.000 0.846 428 L CB 0.459 42.494 42.059 -0.041 0.000 1.111 428 L HN -0.057 nan 8.230 nan 0.000 0.475 429 P HA 0.008 nan 4.420 nan 0.000 0.269 429 P C 0.186 177.467 177.300 -0.033 0.000 1.209 429 P CA -0.237 62.845 63.100 -0.031 0.000 0.776 429 P CB 0.735 32.416 31.700 -0.031 0.000 0.876 430 E N 2.077 122.259 120.200 -0.030 0.000 2.118 430 E HA -0.251 4.116 4.350 0.028 0.000 0.195 430 E C 1.082 177.659 176.600 -0.038 0.000 0.992 430 E CA 1.801 58.182 56.400 -0.032 0.000 0.804 430 E CB -0.341 29.342 29.700 -0.028 0.000 0.741 430 E HN 0.439 nan 8.360 nan 0.000 0.458 431 E N -0.205 119.972 120.200 -0.038 0.000 2.274 431 E HA -0.059 4.308 4.350 0.028 0.000 0.194 431 E C 1.944 178.512 176.600 -0.054 0.000 0.996 431 E CA 0.721 57.094 56.400 -0.045 0.000 0.840 431 E CB -0.153 29.525 29.700 -0.037 0.000 0.772 431 E HN 0.338 nan 8.360 nan 0.000 0.491 432 L N 0.403 121.597 121.223 -0.049 0.000 2.168 432 L HA -0.005 4.352 4.340 0.028 0.000 0.203 432 L C 2.042 178.883 176.870 -0.048 0.000 1.078 432 L CA 0.482 55.291 54.840 -0.052 0.000 0.780 432 L CB 0.096 42.126 42.059 -0.049 0.000 0.939 432 L HN 0.199 nan 8.230 nan 0.000 0.451 433 V N -4.248 115.641 119.914 -0.043 0.000 3.141 433 V HA -0.063 4.074 4.120 0.028 0.000 0.265 433 V C 2.027 178.100 176.094 -0.035 0.000 1.126 433 V CA 1.561 63.839 62.300 -0.035 0.000 1.141 433 V CB -0.206 31.597 31.823 -0.033 0.000 0.743 433 V HN 0.396 nan 8.190 nan 0.000 0.492 434 S N -0.391 115.277 115.700 -0.052 0.000 2.548 434 S HA 0.266 4.753 4.470 0.028 0.000 0.215 434 S C 1.064 175.584 174.600 -0.134 0.000 0.976 434 S CA -0.423 57.733 58.200 -0.073 0.000 0.908 434 S CB -0.393 62.762 63.200 -0.074 0.000 0.781 434 S HN 0.684 nan 8.310 nan 0.000 0.519 435 R N 1.727 122.158 120.500 -0.115 0.000 2.570 435 R HA 0.143 4.501 4.340 0.028 0.000 0.277 435 R C -0.126 176.123 176.300 -0.085 0.000 1.039 435 R CA 0.078 56.094 56.100 -0.141 0.000 1.065 435 R CB 0.175 30.431 30.300 -0.074 0.000 0.964 435 R HN 0.540 nan 8.270 nan 0.000 0.428 436 H N 2.742 121.870 119.070 0.096 0.000 2.836 436 H HA 0.042 4.614 4.556 0.027 0.000 0.368 436 H C -1.654 173.762 175.328 0.146 0.000 1.164 436 H CA -0.886 55.251 56.048 0.149 0.000 1.425 436 H CB -0.019 29.860 29.762 0.196 0.000 1.414 436 H HN 0.462 nan 8.280 nan 0.000 0.614 437 P HA 0.030 nan 4.420 nan 0.000 0.272 437 P C -1.073 176.362 177.300 0.224 0.000 1.223 437 P CA 0.119 63.322 63.100 0.173 0.000 0.784 437 P CB 0.600 32.323 31.700 0.038 0.000 0.923 438 F N 2.845 122.791 119.950 -0.007 0.000 2.585 438 F HA 0.406 4.949 4.527 0.027 0.000 0.319 438 F C -2.413 173.359 175.800 -0.047 0.000 1.165 438 F CA -2.408 55.582 58.000 -0.016 0.000 0.949 438 F CB 1.544 40.538 39.000 -0.010 0.000 1.218 438 F HN 0.177 nan 8.300 nan 0.000 0.453 439 P HA 0.209 nan 4.420 nan 0.000 0.271 439 P C 0.748 177.844 177.300 -0.339 0.000 1.218 439 P CA 0.124 62.997 63.100 -0.378 0.000 0.780 439 P CB 1.153 32.619 31.700 -0.389 0.000 0.901 440 G N 3.320 111.999 108.800 -0.203 0.000 2.703 440 G HA2 -0.243 3.734 3.960 0.028 0.000 0.222 440 G HA3 -0.243 3.734 3.960 0.028 0.000 0.222 440 G C -1.026 173.768 174.900 -0.177 0.000 1.183 440 G CA 0.961 45.954 45.100 -0.180 0.000 0.775 440 G HN 0.490 nan 8.290 nan 0.000 0.615 441 P HA 0.170 nan 4.420 nan 0.000 0.245 441 P C 1.502 178.664 177.300 -0.231 0.000 1.212 441 P CA 0.729 63.705 63.100 -0.206 0.000 0.774 441 P CB -0.140 31.429 31.700 -0.217 0.000 0.999 442 G N 1.312 109.932 108.800 -0.300 0.000 2.652 442 G HA2 -0.363 3.614 3.960 0.028 0.000 0.318 442 G HA3 -0.363 3.614 3.960 0.028 0.000 0.318 442 G C 0.956 175.752 174.900 -0.175 0.000 1.295 442 G CA 0.454 45.345 45.100 -0.348 0.000 0.999 442 G HN 0.291 nan 8.290 nan 0.000 0.548 443 L N 1.354 122.675 121.223 0.163 0.000 2.450 443 L HA 0.025 4.382 4.340 0.028 0.000 0.224 443 L C 3.386 180.276 176.870 0.034 0.000 1.149 443 L CA 1.371 56.310 54.840 0.166 0.000 0.816 443 L CB -0.824 41.423 42.059 0.314 0.000 0.932 443 L HN 0.718 nan 8.230 nan 0.000 0.449 444 A N 1.356 124.024 122.820 -0.253 0.000 1.940 444 A HA -0.181 4.156 4.320 0.028 0.000 0.219 444 A C 1.966 179.396 177.584 -0.257 0.000 1.176 444 A CA 1.682 53.377 52.037 -0.571 0.000 0.631 444 A CB -0.625 17.593 19.000 -1.304 0.000 0.814 444 A HN 0.605 nan 8.150 nan 0.000 0.446 445 I N -4.880 115.570 120.570 -0.199 0.000 3.810 445 I HA 0.230 4.418 4.170 0.028 0.000 0.322 445 I C 1.134 177.224 176.117 -0.045 0.000 1.288 445 I CA 0.097 61.334 61.300 -0.104 0.000 1.143 445 I CB 0.118 38.056 38.000 -0.104 0.000 1.012 445 I HN 0.046 nan 8.210 nan 0.000 0.423 446 R N 0.638 121.112 120.500 -0.043 0.000 2.508 446 R HA 0.394 4.751 4.340 0.028 0.000 0.300 446 R C -0.407 175.880 176.300 -0.022 0.000 0.970 446 R CA -0.067 56.016 56.100 -0.028 0.000 1.102 446 R CB 1.509 31.797 30.300 -0.020 0.000 1.246 446 R HN 0.190 nan 8.270 nan 0.000 0.539 447 V N 2.384 122.297 119.914 -0.003 0.000 2.378 447 V HA 0.281 4.418 4.120 0.028 0.000 0.288 447 V C -0.060 176.035 176.094 0.001 0.000 1.016 447 V CA -0.862 61.439 62.300 0.001 0.000 0.840 447 V CB 1.694 33.533 31.823 0.025 0.000 0.994 447 V HN 0.073 nan 8.190 nan 0.000 0.431 448 I N 5.136 125.715 120.570 0.014 0.000 2.483 448 I HA 0.110 4.297 4.170 0.028 0.000 0.291 448 I C 0.463 176.548 176.117 -0.054 0.000 1.112 448 I CA 0.753 62.068 61.300 0.025 0.000 1.350 448 I CB 0.069 38.133 38.000 0.106 0.000 1.419 448 I HN 0.556 nan 8.210 nan 0.000 0.523 449 C N 6.061 125.299 119.300 -0.103 0.000 2.388 449 C HA 0.878 5.355 4.460 0.028 0.000 0.362 449 C C 0.572 175.378 174.990 -0.306 0.000 1.266 449 C CA -0.440 58.430 59.018 -0.247 0.000 2.028 449 C CB -0.277 27.340 27.740 -0.205 0.000 2.440 449 C HN 0.879 nan 8.230 nan 0.000 0.547 450 A N 2.326 124.854 122.820 -0.487 0.000 2.589 450 A HA 0.655 4.992 4.320 0.028 0.000 0.296 450 A C -0.084 177.261 177.584 -0.398 0.000 1.062 450 A CA -0.237 51.600 52.037 -0.333 0.000 0.686 450 A CB 1.151 20.064 19.000 -0.145 0.000 1.282 450 A HN 0.746 nan 8.150 nan 0.000 0.404 451 E N 0.790 120.903 120.200 -0.145 0.000 2.256 451 E HA 0.164 4.531 4.350 0.028 0.000 0.198 451 E C 0.016 176.631 176.600 0.025 0.000 0.908 451 E CA 0.924 57.345 56.400 0.034 0.000 0.915 451 E CB 0.290 30.120 29.700 0.217 0.000 0.890 451 E HN 0.586 nan 8.360 nan 0.000 0.484 452 E N 1.770 121.979 120.200 0.016 0.000 2.207 452 E HA 0.333 4.700 4.350 0.028 0.000 0.270 452 E C -2.330 174.280 176.600 0.017 0.000 0.927 452 E CA -2.717 53.692 56.400 0.016 0.000 0.799 452 E CB 0.932 30.647 29.700 0.024 0.000 1.172 452 E HN 0.133 nan 8.360 nan 0.000 0.404 453 P HA -0.045 nan 4.420 nan 0.000 0.266 453 P C -0.606 176.723 177.300 0.048 0.000 1.195 453 P CA -0.003 63.102 63.100 0.008 0.000 0.768 453 P CB 0.241 31.904 31.700 -0.062 0.000 0.838 454 Y N 4.092 124.378 120.300 -0.024 0.000 2.504 454 Y HA 0.473 5.041 4.550 0.029 0.000 0.351 454 Y C -0.342 175.572 175.900 0.022 0.000 0.988 454 Y CA -0.370 57.718 58.100 -0.018 0.000 1.239 454 Y CB -0.066 38.380 38.460 -0.023 0.000 1.128 454 Y HN 0.196 nan 8.280 nan 0.000 0.525 455 I N 6.650 126.952 120.570 -0.446 0.000 2.571 455 I HA 0.266 4.453 4.170 0.028 0.000 0.286 455 I C -0.873 175.068 176.117 -0.293 0.000 1.134 455 I CA -0.330 60.731 61.300 -0.399 0.000 1.052 455 I CB 1.154 38.818 38.000 -0.560 0.000 1.237 455 I HN 0.545 nan 8.210 nan 0.000 0.435 456 C N 3.520 122.764 119.300 -0.094 0.000 2.547 456 C HA 0.341 4.818 4.460 0.028 0.000 0.411 456 C C 1.962 177.002 174.990 0.082 0.000 1.424 456 C CA -0.679 58.320 59.018 -0.032 0.000 1.848 456 C CB 1.489 29.214 27.740 -0.025 0.000 2.062 456 C HN 0.785 nan 8.230 nan 0.000 0.504 457 K N 0.938 121.377 120.400 0.065 0.000 2.147 457 K HA -0.143 4.194 4.320 0.028 0.000 0.205 457 K C 1.247 177.907 176.600 0.099 0.000 1.049 457 K CA 1.911 58.240 56.287 0.069 0.000 0.936 457 K CB -0.151 32.377 32.500 0.046 0.000 0.722 457 K HN 0.761 nan 8.250 nan 0.000 0.446 458 D N -0.024 120.453 120.400 0.128 0.000 2.363 458 D HA -0.151 4.506 4.640 0.028 0.000 0.220 458 D C 1.502 177.844 176.300 0.070 0.000 0.994 458 D CA 0.257 54.319 54.000 0.103 0.000 0.890 458 D CB -0.363 40.513 40.800 0.126 0.000 0.906 458 D HN 0.108 nan 8.370 nan 0.000 0.530 459 F N 2.112 122.037 119.950 -0.041 0.000 2.065 459 F HA -0.093 4.451 4.527 0.028 0.000 0.298 459 F C -0.771 174.962 175.800 -0.112 0.000 1.112 459 F CA 1.423 59.340 58.000 -0.140 0.000 1.212 459 F CB -1.089 37.864 39.000 -0.079 0.000 0.975 459 F HN 0.010 nan 8.300 nan 0.000 0.476 460 P HA -0.169 nan 4.420 nan 0.000 0.217 460 P C 1.422 178.668 177.300 -0.090 0.000 1.151 460 P CA 1.720 64.801 63.100 -0.032 0.000 0.828 460 P CB -0.191 31.542 31.700 0.055 0.000 0.788 461 E N -0.494 119.669 120.200 -0.060 0.000 2.051 461 E HA -0.151 4.216 4.350 0.028 0.000 0.192 461 E C 1.528 178.068 176.600 -0.100 0.000 0.991 461 E CA 1.762 58.128 56.400 -0.057 0.000 0.799 461 E CB -0.439 29.245 29.700 -0.027 0.000 0.748 461 E HN 0.108 nan 8.360 nan 0.000 0.449 462 T N 1.453 115.913 114.554 -0.156 0.000 2.720 462 T HA -0.124 4.243 4.350 0.028 0.000 0.268 462 T C 1.620 176.181 174.700 -0.232 0.000 1.037 462 T CA 1.239 63.219 62.100 -0.200 0.000 1.144 462 T CB -0.290 68.408 68.868 -0.284 0.000 0.864 462 T HN 0.168 nan 8.240 nan 0.000 0.444 463 N N 1.454 119.963 118.700 -0.318 0.000 2.223 463 N HA -0.043 4.714 4.740 0.028 0.000 0.185 463 N C 1.753 177.193 175.510 -0.115 0.000 1.016 463 N CA 0.740 53.639 53.050 -0.252 0.000 0.863 463 N CB -0.405 37.880 38.487 -0.337 0.000 0.983 463 N HN 0.351 nan 8.380 nan 0.000 0.429 464 N N 1.073 119.717 118.700 -0.092 0.000 2.188 464 N HA -0.006 4.751 4.740 0.028 0.000 0.184 464 N C 1.926 177.423 175.510 -0.022 0.000 1.018 464 N CA 0.432 53.460 53.050 -0.037 0.000 0.858 464 N CB -0.209 38.263 38.487 -0.025 0.000 0.989 464 N HN 0.303 nan 8.380 nan 0.000 0.426 465 I N 1.017 121.561 120.570 -0.043 0.000 2.179 465 I HA -0.229 3.958 4.170 0.028 0.000 0.242 465 I C 1.983 178.082 176.117 -0.031 0.000 1.088 465 I CA 0.874 62.155 61.300 -0.031 0.000 1.357 465 I CB -0.184 37.786 38.000 -0.050 0.000 1.051 465 I HN 0.046 nan 8.210 nan 0.000 0.409 466 L N 0.339 121.526 121.223 -0.058 0.000 2.093 466 L HA -0.213 4.144 4.340 0.028 0.000 0.208 466 L C 2.578 179.441 176.870 -0.011 0.000 1.085 466 L CA 1.250 56.056 54.840 -0.057 0.000 0.755 466 L CB -0.654 41.349 42.059 -0.094 0.000 0.904 466 L HN 0.208 nan 8.230 nan 0.000 0.435 467 K N 1.017 121.422 120.400 0.009 0.000 2.032 467 K HA -0.204 4.133 4.320 0.028 0.000 0.209 467 K C 2.098 178.735 176.600 0.062 0.000 1.048 467 K CA 1.616 57.928 56.287 0.042 0.000 0.927 467 K CB -0.123 32.400 32.500 0.038 0.000 0.712 467 K HN 0.201 nan 8.250 nan 0.000 0.441 468 I N 0.425 121.035 120.570 0.068 0.000 2.252 468 I HA -0.257 3.930 4.170 0.028 0.000 0.245 468 I C 2.125 178.349 176.117 0.178 0.000 1.102 468 I CA 0.744 62.118 61.300 0.123 0.000 1.385 468 I CB -0.062 38.015 38.000 0.128 0.000 1.064 468 I HN 0.007 nan 8.210 nan 0.000 0.414 469 V N 1.043 121.008 119.914 0.086 0.000 2.287 469 V HA -0.323 3.815 4.120 0.028 0.000 0.248 469 V C 2.695 178.838 176.094 0.081 0.000 1.053 469 V CA 2.119 64.438 62.300 0.032 0.000 1.027 469 V CB -1.101 30.687 31.823 -0.058 0.000 0.646 469 V HN 0.510 nan 8.190 nan 0.000 0.447 470 A N -0.546 122.311 122.820 0.061 0.000 1.972 470 A HA -0.207 4.130 4.320 0.028 0.000 0.219 470 A C 1.723 179.371 177.584 0.106 0.000 1.169 470 A CA 1.948 54.025 52.037 0.066 0.000 0.635 470 A CB -0.353 18.673 19.000 0.044 0.000 0.810 470 A HN 0.550 nan 8.150 nan 0.000 0.446 471 D N -1.969 118.505 120.400 0.124 0.000 2.755 471 D HA 0.251 4.908 4.640 0.028 0.000 0.257 471 D C 0.597 176.980 176.300 0.139 0.000 1.291 471 D CA -0.558 53.509 54.000 0.110 0.000 0.836 471 D CB -0.347 40.499 40.800 0.077 0.000 1.059 471 D HN 0.191 nan 8.370 nan 0.000 0.486 472 F N 1.165 121.128 119.950 0.021 0.000 2.075 472 F HA -0.182 4.362 4.527 0.029 0.000 0.297 472 F C 2.432 178.236 175.800 0.007 0.000 1.113 472 F CA 1.964 59.974 58.000 0.017 0.000 1.218 472 F CB -0.523 38.494 39.000 0.029 0.000 0.984 472 F HN 0.118 nan 8.300 nan 0.000 0.472 473 S N 0.386 116.057 115.700 -0.048 0.000 2.399 473 S HA -0.160 4.327 4.470 0.028 0.000 0.231 473 S C 2.196 176.704 174.600 -0.153 0.000 1.022 473 S CA 0.921 59.029 58.200 -0.153 0.000 0.983 473 S CB -1.244 61.935 63.200 -0.034 0.000 0.803 473 S HN 0.430 nan 8.310 nan 0.000 0.480 474 A N 1.096 123.865 122.820 -0.085 0.000 1.970 474 A HA 0.152 4.489 4.320 0.028 0.000 0.216 474 A C 2.377 179.901 177.584 -0.100 0.000 1.170 474 A CA 1.347 53.341 52.037 -0.071 0.000 0.645 474 A CB -1.002 17.984 19.000 -0.024 0.000 0.816 474 A HN 0.498 nan 8.150 nan 0.000 0.447 475 S N -0.627 115.004 115.700 -0.115 0.000 2.371 475 S HA -0.096 4.391 4.470 0.028 0.000 0.224 475 S C 1.879 176.350 174.600 -0.216 0.000 1.029 475 S CA 1.296 59.425 58.200 -0.119 0.000 0.978 475 S CB -0.313 62.861 63.200 -0.043 0.000 0.833 475 S HN 0.292 nan 8.310 nan 0.000 0.466 476 V N 1.808 121.511 119.914 -0.352 0.000 2.469 476 V HA -0.177 3.960 4.120 0.028 0.000 0.251 476 V C 2.208 178.162 176.094 -0.234 0.000 1.064 476 V CA 1.662 63.739 62.300 -0.370 0.000 1.066 476 V CB -0.500 30.994 31.823 -0.548 0.000 0.667 476 V HN 0.442 nan 8.190 nan 0.000 0.461 477 K N -0.197 120.088 120.400 -0.191 0.000 2.211 477 K HA -0.042 4.295 4.320 0.028 0.000 0.203 477 K C 0.776 177.293 176.600 -0.138 0.000 1.050 477 K CA 0.810 57.015 56.287 -0.137 0.000 0.945 477 K CB 0.033 32.471 32.500 -0.103 0.000 0.732 477 K HN 0.311 nan 8.250 nan 0.000 0.451 478 K N 1.535 121.830 120.400 -0.174 0.000 2.762 478 K HA 0.216 4.553 4.320 0.028 0.000 0.180 478 K C -2.751 173.573 176.600 -0.460 0.000 1.067 478 K CA -1.461 54.684 56.287 -0.237 0.000 0.973 478 K CB 1.584 33.993 32.500 -0.153 0.000 1.290 478 K HN -0.011 nan 8.250 nan 0.000 0.604 479 P HA 0.101 nan 4.420 nan 0.000 0.271 479 P C -0.557 176.452 177.300 -0.485 0.000 1.220 479 P CA 0.257 63.147 63.100 -0.351 0.000 0.768 479 P CB 0.892 32.485 31.700 -0.178 0.000 0.848 480 H N 0.670 119.735 119.070 -0.008 0.000 2.949 480 H HA 0.259 4.832 4.556 0.028 0.000 0.310 480 H C 1.396 176.728 175.328 0.006 0.000 1.405 480 H CA -0.532 55.515 56.048 -0.001 0.000 1.253 480 H CB 0.409 30.171 29.762 -0.000 0.000 1.932 480 H HN 0.205 nan 8.280 nan 0.000 0.602 481 T N 0.838 115.487 114.554 0.159 0.000 2.699 481 T HA -0.160 4.207 4.350 0.028 0.000 0.268 481 T C 2.035 176.776 174.700 0.069 0.000 1.036 481 T CA 1.476 63.625 62.100 0.081 0.000 1.147 481 T CB -0.119 68.781 68.868 0.053 0.000 0.862 481 T HN 0.185 nan 8.240 nan 0.000 0.446 482 L N 0.777 122.048 121.223 0.080 0.000 2.046 482 L HA 0.103 4.460 4.340 0.028 0.000 0.208 482 L C 2.231 179.145 176.870 0.073 0.000 1.077 482 L CA 1.290 56.167 54.840 0.063 0.000 0.747 482 L CB -0.909 41.185 42.059 0.058 0.000 0.896 482 L HN 0.190 nan 8.230 nan 0.000 0.432 483 L N -0.743 120.533 121.223 0.087 0.000 2.043 483 L HA -0.268 4.089 4.340 0.028 0.000 0.212 483 L C 2.496 179.422 176.870 0.093 0.000 1.075 483 L CA 1.703 56.602 54.840 0.097 0.000 0.752 483 L CB -0.552 41.531 42.059 0.041 0.000 0.891 483 L HN 0.370 nan 8.230 nan 0.000 0.432 484 Q N -0.356 119.481 119.800 0.063 0.000 2.124 484 Q HA -0.197 4.160 4.340 0.028 0.000 0.202 484 Q C 2.374 178.403 176.000 0.049 0.000 0.977 484 Q CA 1.537 57.371 55.803 0.051 0.000 0.850 484 Q CB -0.375 28.385 28.738 0.037 0.000 0.901 484 Q HN 0.578 nan 8.270 nan 0.000 0.429 485 R N -0.124 120.402 120.500 0.043 0.000 2.096 485 R HA -0.069 4.288 4.340 0.028 0.000 0.235 485 R C 2.366 178.682 176.300 0.027 0.000 1.127 485 R CA 1.118 57.234 56.100 0.027 0.000 0.968 485 R CB -0.209 30.102 30.300 0.018 0.000 0.861 485 R HN 0.066 nan 8.270 nan 0.000 0.440 486 V N 1.540 121.485 119.914 0.051 0.000 2.358 486 V HA -0.226 3.911 4.120 0.028 0.000 0.246 486 V C 2.096 178.217 176.094 0.045 0.000 1.047 486 V CA 1.665 63.990 62.300 0.041 0.000 1.035 486 V CB -0.330 31.542 31.823 0.082 0.000 0.658 486 V HN 0.314 nan 8.190 nan 0.000 0.452 487 K N 0.715 121.178 120.400 0.104 0.000 2.057 487 K HA -0.071 4.266 4.320 0.028 0.000 0.206 487 K C 2.298 178.928 176.600 0.051 0.000 1.050 487 K CA 1.442 57.793 56.287 0.107 0.000 0.935 487 K CB -0.465 32.116 32.500 0.135 0.000 0.715 487 K HN 0.439 nan 8.250 nan 0.000 0.439 488 A N 0.973 123.815 122.820 0.038 0.000 2.024 488 A HA -0.164 4.173 4.320 0.028 0.000 0.220 488 A C 2.097 179.684 177.584 0.005 0.000 1.164 488 A CA 1.348 53.397 52.037 0.020 0.000 0.643 488 A CB -0.620 18.389 19.000 0.015 0.000 0.806 488 A HN 0.421 nan 8.150 nan 0.000 0.451 489 C N -0.505 118.792 119.300 -0.005 0.000 2.906 489 C HA 0.252 4.729 4.460 0.028 0.000 0.274 489 C C 1.130 176.103 174.990 -0.027 0.000 1.257 489 C CA 0.335 59.340 59.018 -0.022 0.000 1.695 489 C CB -1.197 26.520 27.740 -0.039 0.000 1.958 489 C HN 0.657 nan 8.230 nan 0.000 0.619 490 T N -0.445 114.096 114.554 -0.023 0.000 2.855 490 T HA 0.499 4.866 4.350 0.028 0.000 0.281 490 T C 0.024 174.724 174.700 0.001 0.000 1.007 490 T CA -0.167 61.916 62.100 -0.029 0.000 1.009 490 T CB 1.300 70.122 68.868 -0.078 0.000 0.983 490 T HN 0.343 nan 8.240 nan 0.000 0.455 491 T N 0.008 114.569 114.554 0.011 0.000 2.926 491 T HA 0.153 4.520 4.350 0.028 0.000 0.307 491 T C 1.229 175.949 174.700 0.033 0.000 1.059 491 T CA -0.596 61.519 62.100 0.024 0.000 1.122 491 T CB 0.839 69.726 68.868 0.031 0.000 0.972 491 T HN 0.783 nan 8.240 nan 0.000 0.545 492 E N 1.384 121.604 120.200 0.034 0.000 2.108 492 E HA -0.299 4.068 4.350 0.028 0.000 0.203 492 E C 1.744 178.368 176.600 0.041 0.000 1.022 492 E CA 2.224 58.648 56.400 0.041 0.000 0.823 492 E CB -0.198 29.520 29.700 0.031 0.000 0.744 492 E HN 0.912 nan 8.360 nan 0.000 0.456 493 E N -0.198 120.021 120.200 0.032 0.000 2.058 493 E HA -0.190 4.177 4.350 0.028 0.000 0.194 493 E C 1.904 178.521 176.600 0.030 0.000 0.997 493 E CA 1.440 57.853 56.400 0.022 0.000 0.801 493 E CB -0.027 29.685 29.700 0.020 0.000 0.746 493 E HN 0.275 nan 8.360 nan 0.000 0.450 494 D N 0.180 120.626 120.400 0.077 0.000 2.144 494 D HA -0.134 4.523 4.640 0.028 0.000 0.200 494 D C 1.910 178.263 176.300 0.089 0.000 0.978 494 D CA 0.876 54.977 54.000 0.169 0.000 0.833 494 D CB -0.125 40.788 40.800 0.188 0.000 0.961 494 D HN 0.228 nan 8.370 nan 0.000 0.470 495 Q N 0.222 120.043 119.800 0.035 0.000 2.084 495 Q HA -0.167 4.190 4.340 0.028 0.000 0.202 495 Q C 2.037 178.134 176.000 0.161 0.000 0.978 495 Q CA 1.139 56.978 55.803 0.061 0.000 0.844 495 Q CB -0.018 28.821 28.738 0.170 0.000 0.898 495 Q HN 0.260 nan 8.270 nan 0.000 0.426 496 E N 1.178 121.433 120.200 0.092 0.000 2.023 496 E HA -0.215 4.152 4.350 0.028 0.000 0.196 496 E C 1.848 178.455 176.600 0.011 0.000 1.003 496 E CA 1.328 57.762 56.400 0.058 0.000 0.809 496 E CB 0.054 29.764 29.700 0.016 0.000 0.755 496 E HN 0.089 nan 8.360 nan 0.000 0.449 497 K N -0.312 120.041 120.400 -0.078 0.000 2.113 497 K HA -0.201 4.136 4.320 0.028 0.000 0.208 497 K C 2.014 178.523 176.600 -0.152 0.000 1.047 497 K CA 1.266 57.410 56.287 -0.239 0.000 0.928 497 K CB -0.158 31.994 32.500 -0.580 0.000 0.716 497 K HN 0.132 nan 8.250 nan 0.000 0.446 498 L N 0.490 121.720 121.223 0.012 0.000 2.240 498 L HA -0.051 4.306 4.340 0.028 0.000 0.211 498 L C 1.990 179.009 176.870 0.247 0.000 1.106 498 L CA 1.189 56.104 54.840 0.125 0.000 0.793 498 L CB -0.194 41.837 42.059 -0.047 0.000 0.927 498 L HN 0.225 nan 8.230 nan 0.000 0.446 499 M N -1.124 118.646 119.600 0.285 0.000 2.067 499 M HA -0.191 4.306 4.480 0.028 0.000 0.260 499 M C 2.189 178.556 176.300 0.113 0.000 1.069 499 M CA 1.570 57.012 55.300 0.236 0.000 1.117 499 M CB -1.007 31.686 32.600 0.155 0.000 1.334 499 M HN 0.307 nan 8.290 nan 0.000 0.407 500 Q N 0.220 120.055 119.800 0.058 0.000 1.975 500 Q HA -0.117 4.240 4.340 0.028 0.000 0.205 500 Q C 2.204 178.232 176.000 0.046 0.000 0.990 500 Q CA 1.630 57.446 55.803 0.021 0.000 0.845 500 Q CB -0.898 27.830 28.738 -0.016 0.000 0.913 500 Q HN 0.545 nan 8.270 nan 0.000 0.420 501 I N 1.063 121.672 120.570 0.065 0.000 2.145 501 I HA -0.325 3.862 4.170 0.028 0.000 0.244 501 I C 2.320 178.541 176.117 0.174 0.000 1.075 501 I CA 2.010 63.390 61.300 0.133 0.000 1.332 501 I CB -0.515 37.552 38.000 0.111 0.000 1.033 501 I HN 0.351 nan 8.210 nan 0.000 0.410 502 T N -3.113 111.529 114.554 0.147 0.000 3.129 502 T HA 0.034 4.401 4.350 0.028 0.000 0.251 502 T C 1.645 176.398 174.700 0.089 0.000 1.117 502 T CA 0.646 62.829 62.100 0.139 0.000 1.034 502 T CB -0.181 68.792 68.868 0.176 0.000 0.968 502 T HN 0.452 nan 8.240 nan 0.000 0.526 503 S N 1.009 116.742 115.700 0.055 0.000 2.456 503 S HA 0.245 4.733 4.470 0.028 0.000 0.224 503 S C 1.927 176.500 174.600 -0.045 0.000 1.035 503 S CA -0.227 57.977 58.200 0.005 0.000 0.940 503 S CB -0.647 62.549 63.200 -0.007 0.000 0.799 503 S HN 0.441 nan 8.310 nan 0.000 0.508 504 L N 0.462 121.632 121.223 -0.088 0.000 2.156 504 L HA 0.168 4.525 4.340 0.028 0.000 0.208 504 L C 0.339 176.922 176.870 -0.479 0.000 1.095 504 L CA 0.922 55.582 54.840 -0.299 0.000 0.770 504 L CB -0.353 41.457 42.059 -0.414 0.000 0.914 504 L HN 0.405 nan 8.230 nan 0.000 0.439 505 H N -1.888 117.176 119.070 -0.010 0.000 2.747 505 H HA 0.302 4.875 4.556 0.029 0.000 0.371 505 H C -0.231 175.099 175.328 0.004 0.000 1.161 505 H CA -0.839 55.201 56.048 -0.013 0.000 1.167 505 H CB 1.472 31.215 29.762 -0.032 0.000 1.732 505 H HN -0.137 nan 8.280 nan 0.000 0.544 506 S N 2.430 118.207 115.700 0.128 0.000 2.422 506 S HA 0.595 5.082 4.470 0.028 0.000 0.308 506 S C -0.633 174.021 174.600 0.090 0.000 1.097 506 S CA -0.849 57.403 58.200 0.088 0.000 1.099 506 S CB -0.047 63.188 63.200 0.059 0.000 0.976 506 S HN 0.405 nan 8.310 nan 0.000 0.471 507 L N 3.081 124.353 121.223 0.082 0.000 2.354 507 L HA 0.571 4.928 4.340 0.028 0.000 0.269 507 L C -0.445 176.468 176.870 0.072 0.000 1.005 507 L CA -0.938 53.941 54.840 0.065 0.000 0.819 507 L CB 1.901 43.986 42.059 0.044 0.000 1.311 507 L HN 0.635 nan 8.230 nan 0.000 0.423 508 N N 0.874 119.625 118.700 0.084 0.000 2.370 508 N HA 0.817 5.574 4.740 0.028 0.000 0.303 508 N C -1.108 174.415 175.510 0.020 0.000 1.103 508 N CA -0.570 52.566 53.050 0.143 0.000 0.848 508 N CB 2.333 40.999 38.487 0.298 0.000 1.235 508 N HN 0.678 nan 8.380 nan 0.000 0.496 509 A N 1.351 124.175 122.820 0.006 0.000 2.449 509 A HA 0.869 5.206 4.320 0.028 0.000 0.302 509 A C -1.530 175.983 177.584 -0.119 0.000 1.048 509 A CA -0.651 51.221 52.037 -0.274 0.000 0.708 509 A CB 0.568 19.464 19.000 -0.174 0.000 1.274 509 A HN 0.710 nan 8.150 nan 0.000 0.410 510 F N -0.618 119.307 119.950 -0.041 0.000 2.725 510 F HA 0.610 5.154 4.527 0.029 0.000 0.309 510 F C -1.345 174.409 175.800 -0.077 0.000 1.132 510 F CA -1.235 56.716 58.000 -0.081 0.000 0.957 510 F CB 0.772 39.755 39.000 -0.027 0.000 1.286 510 F HN 0.460 nan 8.300 nan 0.000 0.440 511 L N 2.789 124.025 121.223 0.021 0.000 2.417 511 L HA 0.450 4.807 4.340 0.028 0.000 0.268 511 L C -0.333 176.753 176.870 0.360 0.000 1.158 511 L CA -0.658 54.195 54.840 0.022 0.000 0.819 511 L CB 0.973 42.804 42.059 -0.380 0.000 1.112 511 L HN 0.558 nan 8.230 nan 0.000 0.458 512 L N 4.156 125.624 121.223 0.409 0.000 2.309 512 L HA 0.356 4.713 4.340 0.028 0.000 0.282 512 L C -1.808 175.360 176.870 0.498 0.000 1.036 512 L CA -1.613 53.500 54.840 0.455 0.000 0.806 512 L CB 1.575 43.891 42.059 0.428 0.000 1.220 512 L HN 0.402 nan 8.230 nan 0.000 0.429 513 P HA 0.136 nan 4.420 nan 0.000 0.228 513 P C -0.757 176.741 177.300 0.330 0.000 1.748 513 P CA 0.292 63.597 63.100 0.342 0.000 0.909 513 P CB -0.581 31.180 31.700 0.103 0.000 1.882 514 I N -3.830 116.977 120.570 0.395 0.000 3.074 514 I HA 0.602 4.789 4.170 0.028 0.000 0.310 514 I C -0.789 175.428 176.117 0.167 0.000 1.153 514 I CA -1.734 59.724 61.300 0.263 0.000 0.993 514 I CB 2.775 40.910 38.000 0.224 0.000 1.237 514 I HN -0.339 nan 8.210 nan 0.000 0.443 515 K N 1.299 121.656 120.400 -0.070 0.000 2.164 515 K HA 0.651 4.989 4.320 0.028 0.000 0.258 515 K C -0.946 175.620 176.600 -0.058 0.000 0.951 515 K CA -0.534 55.590 56.287 -0.273 0.000 0.844 515 K CB 2.105 34.307 32.500 -0.497 0.000 1.099 515 K HN 0.794 nan 8.250 nan 0.000 0.435 516 T N 0.773 115.269 114.554 -0.096 0.000 2.894 516 T HA 0.218 4.585 4.350 0.028 0.000 0.309 516 T C -1.302 173.240 174.700 -0.262 0.000 1.208 516 T CA -0.568 61.452 62.100 -0.133 0.000 1.016 516 T CB 1.566 70.166 68.868 -0.446 0.000 1.192 516 T HN 0.260 nan 8.240 nan 0.000 0.491 517 V N 2.807 122.490 119.914 -0.385 0.000 2.775 517 V HA 0.804 4.941 4.120 0.028 0.000 0.299 517 V C 0.655 176.457 176.094 -0.485 0.000 1.062 517 V CA 1.035 62.881 62.300 -0.756 0.000 1.063 517 V CB 0.957 32.310 31.823 -0.783 0.000 0.994 517 V HN 1.134 nan 8.190 nan 0.000 0.483 518 G N 3.477 112.009 108.800 -0.446 0.000 2.704 518 G HA2 0.545 4.522 3.960 0.028 0.000 0.293 518 G HA3 0.545 4.522 3.960 0.028 0.000 0.293 518 G C -1.790 172.965 174.900 -0.242 0.000 1.421 518 G CA -0.330 44.592 45.100 -0.297 0.000 0.870 518 G HN 0.913 nan 8.290 nan 0.000 0.492 519 V N 0.848 120.656 119.914 -0.176 0.000 2.409 519 V HA 0.616 4.753 4.120 0.028 0.000 0.291 519 V C -1.021 175.002 176.094 -0.118 0.000 1.020 519 V CA -0.633 61.587 62.300 -0.133 0.000 0.848 519 V CB 1.479 33.242 31.823 -0.099 0.000 0.990 519 V HN 0.649 nan 8.190 nan 0.000 0.430 520 Q N 4.507 124.239 119.800 -0.112 0.000 2.341 520 Q HA 0.518 4.876 4.340 0.028 0.000 0.268 520 Q C 0.651 176.602 176.000 -0.083 0.000 1.013 520 Q CA 0.462 56.194 55.803 -0.119 0.000 0.798 520 Q CB 1.702 30.355 28.738 -0.142 0.000 1.253 520 Q HN 1.203 nan 8.270 nan 0.000 0.457 521 G N 4.373 113.129 108.800 -0.073 0.000 2.596 521 G HA2 -0.369 3.608 3.960 0.028 0.000 0.304 521 G HA3 -0.369 3.608 3.960 0.028 0.000 0.304 521 G C 0.424 175.303 174.900 -0.036 0.000 1.189 521 G CA 0.589 45.662 45.100 -0.045 0.000 0.986 521 G HN 0.607 nan 8.290 nan 0.000 0.548 522 D N 0.659 121.044 120.400 -0.026 0.000 2.347 522 D HA 0.194 4.851 4.640 0.028 0.000 0.213 522 D C 1.336 177.621 176.300 -0.026 0.000 0.985 522 D CA 1.248 55.236 54.000 -0.020 0.000 0.879 522 D CB -0.314 40.480 40.800 -0.011 0.000 0.919 522 D HN 0.862 nan 8.370 nan 0.000 0.526 523 C N -0.323 118.956 119.300 -0.035 0.000 2.507 523 C HA 0.657 5.134 4.460 0.028 0.000 0.319 523 C C 0.429 175.381 174.990 -0.063 0.000 1.208 523 C CA -1.539 57.457 59.018 -0.037 0.000 1.619 523 C CB 1.834 29.561 27.740 -0.022 0.000 2.230 523 C HN -0.065 nan 8.230 nan 0.000 0.492 524 R N 1.568 122.028 120.500 -0.068 0.000 2.594 524 R HA 0.546 4.903 4.340 0.028 0.000 0.272 524 R C 0.108 176.330 176.300 -0.130 0.000 1.074 524 R CA 0.407 56.432 56.100 -0.125 0.000 1.105 524 R CB 1.078 31.308 30.300 -0.118 0.000 1.008 524 R HN 0.915 nan 8.270 nan 0.000 0.472 525 S N 1.552 117.102 115.700 -0.250 0.000 2.541 525 S HA 0.435 4.922 4.470 0.028 0.000 0.271 525 S C -1.833 172.529 174.600 -0.397 0.000 1.133 525 S CA -0.668 57.418 58.200 -0.189 0.000 0.876 525 S CB 0.816 63.941 63.200 -0.124 0.000 1.105 525 S HN 0.431 nan 8.310 nan 0.000 0.470 526 Y N 1.924 122.153 120.300 -0.119 0.000 2.345 526 Y HA 0.697 5.264 4.550 0.028 0.000 0.331 526 Y C 0.603 176.364 175.900 -0.231 0.000 0.959 526 Y CA -0.072 57.915 58.100 -0.189 0.000 1.204 526 Y CB 1.834 40.167 38.460 -0.211 0.000 1.135 526 Y HN 0.626 nan 8.280 nan 0.000 0.477 527 S N 1.419 117.033 115.700 -0.143 0.000 2.757 527 S HA 0.502 4.989 4.470 0.028 0.000 0.285 527 S C -1.469 173.087 174.600 -0.072 0.000 1.196 527 S CA -0.738 57.387 58.200 -0.125 0.000 0.856 527 S CB 0.370 63.565 63.200 -0.010 0.000 1.212 527 S HN 0.366 nan 8.310 nan 0.000 0.516 528 Y N 0.927 121.342 120.300 0.192 0.000 2.652 528 Y HA 0.269 4.836 4.550 0.029 0.000 0.344 528 Y C 0.551 176.471 175.900 0.033 0.000 1.254 528 Y CA 0.165 58.378 58.100 0.187 0.000 1.480 528 Y CB 0.181 38.762 38.460 0.201 0.000 1.345 528 Y HN 0.239 nan 8.280 nan 0.000 0.617 529 V N 2.546 122.612 119.914 0.252 0.000 2.427 529 V HA 0.247 4.384 4.120 0.028 0.000 0.286 529 V C -0.183 175.994 176.094 0.139 0.000 1.034 529 V CA -1.182 61.176 62.300 0.097 0.000 0.893 529 V CB 1.407 33.297 31.823 0.112 0.000 0.982 529 V HN 0.970 nan 8.190 nan 0.000 0.452 530 C N 4.500 123.822 119.300 0.036 0.000 2.350 530 C HA 0.875 5.352 4.460 0.028 0.000 0.348 530 C C 0.755 175.686 174.990 -0.097 0.000 1.260 530 C CA -0.098 58.894 59.018 -0.043 0.000 1.966 530 C CB -0.170 27.512 27.740 -0.097 0.000 2.380 530 C HN 1.072 nan 8.230 nan 0.000 0.535 531 G N 5.188 113.810 108.800 -0.295 0.000 2.400 531 G HA2 0.728 4.705 3.960 0.028 0.000 0.333 531 G HA3 0.728 4.705 3.960 0.028 0.000 0.333 531 G C -1.169 173.221 174.900 -0.849 0.000 1.143 531 G CA -0.530 44.291 45.100 -0.465 0.000 0.914 531 G HN 0.884 nan 8.290 nan 0.000 0.480 532 I N 1.449 121.732 120.570 -0.478 0.000 2.499 532 I HA 0.399 4.587 4.170 0.028 0.000 0.288 532 I C 0.129 176.075 176.117 -0.284 0.000 1.048 532 I CA -0.712 60.373 61.300 -0.358 0.000 1.062 532 I CB 2.365 40.286 38.000 -0.132 0.000 1.238 532 I HN 0.600 nan 8.210 nan 0.000 0.426 533 S N 3.627 119.234 115.700 -0.156 0.000 2.677 533 S HA 0.883 5.370 4.470 0.028 0.000 0.304 533 S C -0.471 174.130 174.600 0.002 0.000 1.108 533 S CA -0.628 57.473 58.200 -0.165 0.000 0.944 533 S CB 2.090 65.249 63.200 -0.068 0.000 1.127 533 S HN 0.677 nan 8.310 nan 0.000 0.511 534 S N -0.215 115.506 115.700 0.035 0.000 2.546 534 S HA 0.520 5.007 4.470 0.028 0.000 0.274 534 S C 0.211 174.850 174.600 0.065 0.000 1.121 534 S CA -0.840 57.405 58.200 0.074 0.000 0.887 534 S CB 1.851 65.100 63.200 0.082 0.000 1.094 534 S HN 0.804 nan 8.310 nan 0.000 0.474 535 K N 1.144 121.583 120.400 0.065 0.000 2.057 535 K HA -0.058 4.279 4.320 0.028 0.000 0.207 535 K C 0.301 176.937 176.600 0.060 0.000 1.049 535 K CA 2.095 58.415 56.287 0.056 0.000 0.931 535 K CB -0.331 32.199 32.500 0.051 0.000 0.714 535 K HN 0.849 nan 8.250 nan 0.000 0.440 536 D N -0.315 120.128 120.400 0.072 0.000 2.487 536 D HA 0.110 4.767 4.640 0.028 0.000 0.262 536 D C -0.501 175.828 176.300 0.048 0.000 1.130 536 D CA -0.641 53.401 54.000 0.070 0.000 1.038 536 D CB 0.078 40.937 40.800 0.097 0.000 1.142 536 D HN 0.050 nan 8.370 nan 0.000 0.575 537 E N 0.306 120.524 120.200 0.030 0.000 2.481 537 E HA 0.116 4.483 4.350 0.028 0.000 0.263 537 E C -1.849 174.636 176.600 -0.191 0.000 0.992 537 E CA -0.759 55.624 56.400 -0.027 0.000 0.938 537 E CB -0.045 29.652 29.700 -0.005 0.000 0.933 537 E HN 0.311 nan 8.360 nan 0.000 0.453 538 P HA 0.005 nan 4.420 nan 0.000 0.276 538 P C -0.901 175.840 177.300 -0.932 0.000 1.235 538 P CA -0.117 62.392 63.100 -0.983 0.000 0.772 538 P CB 0.706 31.270 31.700 -1.894 0.000 0.871 539 D N 2.628 122.536 120.400 -0.820 0.000 2.347 539 D HA 0.098 4.755 4.640 0.028 0.000 0.235 539 D C 0.490 176.482 176.300 -0.514 0.000 1.149 539 D CA -0.394 53.282 54.000 -0.541 0.000 0.850 539 D CB 0.169 40.724 40.800 -0.408 0.000 1.061 539 D HN 0.279 nan 8.370 nan 0.000 0.487 540 W N 2.322 123.494 121.300 -0.213 0.000 2.418 540 W HA 0.015 4.692 4.660 0.029 0.000 0.292 540 W C 2.012 178.462 176.519 -0.115 0.000 1.213 540 W CA 0.100 57.323 57.345 -0.203 0.000 1.283 540 W CB 0.171 29.517 29.460 -0.190 0.000 1.119 540 W HN 0.500 nan 8.180 nan 0.000 0.542 541 E N -0.202 120.072 120.200 0.124 0.000 2.208 541 E HA -0.124 4.243 4.350 0.028 0.000 0.193 541 E C 2.103 178.750 176.600 0.078 0.000 0.988 541 E CA 1.185 57.642 56.400 0.094 0.000 0.828 541 E CB -0.127 29.610 29.700 0.061 0.000 0.763 541 E HN 0.124 nan 8.360 nan 0.000 0.478 542 S N 0.957 116.663 115.700 0.009 0.000 2.368 542 S HA -0.074 4.413 4.470 0.028 0.000 0.224 542 S C 2.020 176.651 174.600 0.052 0.000 1.029 542 S CA 0.657 58.869 58.200 0.021 0.000 0.988 542 S CB -0.087 63.062 63.200 -0.085 0.000 0.838 542 S HN 0.168 nan 8.310 nan 0.000 0.462 543 L N 1.191 122.376 121.223 -0.064 0.000 2.046 543 L HA -0.066 4.291 4.340 0.028 0.000 0.208 543 L C 2.233 179.136 176.870 0.056 0.000 1.077 543 L CA 1.090 55.896 54.840 -0.057 0.000 0.747 543 L CB -0.526 41.411 42.059 -0.205 0.000 0.896 543 L HN 0.293 nan 8.230 nan 0.000 0.432 544 I N -0.809 119.831 120.570 0.115 0.000 2.286 544 I HA -0.329 3.859 4.170 0.028 0.000 0.248 544 I C 2.535 178.719 176.117 0.112 0.000 1.115 544 I CA 1.474 62.851 61.300 0.129 0.000 1.392 544 I CB -0.304 37.784 38.000 0.147 0.000 1.065 544 I HN 0.238 nan 8.210 nan 0.000 0.418 545 F N 1.777 121.727 119.950 0.001 0.000 2.102 545 F HA -0.198 4.346 4.527 0.028 0.000 0.298 545 F C 2.240 178.026 175.800 -0.024 0.000 1.105 545 F CA 1.613 59.606 58.000 -0.013 0.000 1.239 545 F CB -0.376 38.612 39.000 -0.021 0.000 0.991 545 F HN -0.121 nan 8.300 nan 0.000 0.474 546 L N 0.111 121.269 121.223 -0.108 0.000 2.083 546 L HA -0.207 4.150 4.340 0.028 0.000 0.209 546 L C 2.798 179.537 176.870 -0.219 0.000 1.083 546 L CA 1.187 55.893 54.840 -0.224 0.000 0.752 546 L CB -1.182 40.841 42.059 -0.059 0.000 0.899 546 L HN 0.293 nan 8.230 nan 0.000 0.433 547 A N -0.115 122.639 122.820 -0.110 0.000 2.024 547 A HA -0.191 4.146 4.320 0.028 0.000 0.220 547 A C 2.352 179.870 177.584 -0.111 0.000 1.164 547 A CA 1.424 53.418 52.037 -0.071 0.000 0.643 547 A CB -0.371 18.636 19.000 0.012 0.000 0.806 547 A HN 0.374 nan 8.150 nan 0.000 0.451 548 R N -1.676 118.722 120.500 -0.169 0.000 2.140 548 R HA 0.124 4.481 4.340 0.028 0.000 0.213 548 R C 2.030 178.185 176.300 -0.242 0.000 1.059 548 R CA 0.807 56.806 56.100 -0.169 0.000 1.000 548 R CB -0.411 29.814 30.300 -0.126 0.000 0.910 548 R HN 0.476 nan 8.270 nan 0.000 0.455 549 L N 1.375 122.343 121.223 -0.425 0.000 2.005 549 L HA -0.070 4.287 4.340 0.028 0.000 0.207 549 L C 2.047 178.773 176.870 -0.239 0.000 1.072 549 L CA 1.597 56.180 54.840 -0.428 0.000 0.744 549 L CB -0.297 41.329 42.059 -0.722 0.000 0.895 549 L HN 0.035 nan 8.230 nan 0.000 0.433 550 I N -0.061 120.380 120.570 -0.215 0.000 2.163 550 I HA -0.239 3.948 4.170 0.028 0.000 0.243 550 I C -0.442 175.631 176.117 -0.075 0.000 1.085 550 I CA 1.466 62.684 61.300 -0.136 0.000 1.347 550 I CB -1.486 36.437 38.000 -0.128 0.000 1.044 550 I HN 0.281 nan 8.210 nan 0.000 0.408 551 P HA -0.099 nan 4.420 nan 0.000 0.223 551 P C 1.372 178.702 177.300 0.050 0.000 1.151 551 P CA 1.247 64.334 63.100 -0.022 0.000 0.787 551 P CB -0.075 31.585 31.700 -0.066 0.000 0.788 552 R N -1.218 119.290 120.500 0.014 0.000 2.090 552 R HA 0.075 4.432 4.340 0.028 0.000 0.228 552 R C 2.195 178.563 176.300 0.113 0.000 1.110 552 R CA 1.301 57.457 56.100 0.093 0.000 0.973 552 R CB -0.524 29.777 30.300 0.001 0.000 0.869 552 R HN 0.269 nan 8.270 nan 0.000 0.440 553 M N -0.773 118.831 119.600 0.008 0.000 2.236 553 M HA -0.021 4.476 4.480 0.028 0.000 0.266 553 M C 0.431 176.703 176.300 -0.048 0.000 1.070 553 M CA 0.801 56.073 55.300 -0.047 0.000 1.137 553 M CB 0.606 33.161 32.600 -0.076 0.000 1.378 553 M HN 0.032 nan 8.290 nan 0.000 0.426 554 C N -0.018 119.298 119.300 0.027 0.000 2.437 554 C HA 0.277 4.755 4.460 0.028 0.000 0.307 554 C C 1.015 176.102 174.990 0.162 0.000 1.093 554 C CA -0.818 58.223 59.018 0.039 0.000 1.463 554 C CB -0.964 26.776 27.740 -0.000 0.000 1.926 554 C HN 0.502 nan 8.230 nan 0.000 0.420 555 H N 1.548 120.616 119.070 -0.004 0.000 2.559 555 H HA -0.069 4.505 4.556 0.029 0.000 0.273 555 H C 1.546 176.892 175.328 0.029 0.000 1.000 555 H CA 0.618 56.666 56.048 0.001 0.000 1.195 555 H CB 0.367 30.128 29.762 -0.002 0.000 1.368 555 H HN 0.710 nan 8.280 nan 0.000 0.592 556 N N 0.870 119.680 118.700 0.183 0.000 2.449 556 N HA -0.037 4.720 4.740 0.028 0.000 0.191 556 N C -0.190 175.471 175.510 0.251 0.000 1.161 556 N CA 0.160 53.336 53.050 0.210 0.000 0.863 556 N CB 0.084 38.727 38.487 0.260 0.000 0.980 556 N HN -0.014 nan 8.380 nan 0.000 0.458 557 V N 1.561 121.564 119.914 0.148 0.000 2.409 557 V HA 0.249 4.386 4.120 0.028 0.000 0.291 557 V C 0.021 176.119 176.094 0.008 0.000 1.020 557 V CA -0.768 61.596 62.300 0.106 0.000 0.848 557 V CB 1.570 33.423 31.823 0.050 0.000 0.990 557 V HN 0.032 nan 8.190 nan 0.000 0.430 558 N N 3.237 121.913 118.700 -0.039 0.000 2.356 558 N HA 0.228 4.985 4.740 0.028 0.000 0.178 558 N C 0.420 175.818 175.510 -0.188 0.000 1.075 558 N CA 0.349 53.317 53.050 -0.137 0.000 0.889 558 N CB 0.395 38.761 38.487 -0.201 0.000 0.999 558 N HN 0.584 nan 8.380 nan 0.000 0.464 559 R N -0.734 119.663 120.500 -0.173 0.000 2.663 559 R HA 0.523 4.880 4.340 0.028 0.000 0.267 559 R C -1.739 174.501 176.300 -0.101 0.000 1.038 559 R CA -0.576 55.404 56.100 -0.199 0.000 0.886 559 R CB 2.500 32.539 30.300 -0.435 0.000 1.249 559 R HN -0.257 nan 8.270 nan 0.000 0.463 560 V N 2.983 122.868 119.914 -0.048 0.000 2.577 560 V HA 0.494 4.631 4.120 0.028 0.000 0.303 560 V C -0.482 175.657 176.094 0.074 0.000 1.042 560 V CA -0.768 61.527 62.300 -0.009 0.000 0.872 560 V CB 1.837 33.641 31.823 -0.031 0.000 0.998 560 V HN 0.568 nan 8.190 nan 0.000 0.423 561 V N 2.239 122.213 119.914 0.099 0.000 2.769 561 V HA 0.663 4.800 4.120 0.028 0.000 0.312 561 V C -1.058 175.110 176.094 0.123 0.000 1.061 561 V CA -1.031 61.379 62.300 0.183 0.000 0.931 561 V CB 1.825 33.811 31.823 0.272 0.000 1.010 561 V HN 0.727 nan 8.190 nan 0.000 0.433 562 Y N 3.903 124.221 120.300 0.030 0.000 2.350 562 Y HA 0.684 5.250 4.550 0.028 0.000 0.340 562 Y C -0.051 175.705 175.900 -0.241 0.000 1.006 562 Y CA -1.006 57.003 58.100 -0.152 0.000 1.166 562 Y CB 1.047 39.368 38.460 -0.231 0.000 1.168 562 Y HN 0.681 nan 8.280 nan 0.000 0.502 563 I N 7.952 128.017 120.570 -0.841 0.000 2.312 563 I HA 0.160 4.347 4.170 0.028 0.000 0.291 563 I C -0.669 174.883 176.117 -0.942 0.000 1.031 563 I CA -0.314 60.588 61.300 -0.663 0.000 1.293 563 I CB 0.172 37.896 38.000 -0.461 0.000 1.403 563 I HN 0.449 nan 8.210 nan 0.000 0.484 564 F N 4.550 124.281 119.950 -0.365 0.000 2.459 564 F HA 0.568 5.111 4.527 0.028 0.000 0.346 564 F C 1.246 176.958 175.800 -0.146 0.000 1.128 564 F CA 0.586 58.489 58.000 -0.162 0.000 1.268 564 F CB 0.633 39.674 39.000 0.067 0.000 1.161 564 F HN 0.696 nan 8.300 nan 0.000 0.583 565 G N 2.131 111.009 108.800 0.131 0.000 2.409 565 G HA2 0.002 3.979 3.960 0.028 0.000 0.421 565 G HA3 0.002 3.979 3.960 0.028 0.000 0.421 565 G C -3.016 171.898 174.900 0.024 0.000 1.259 565 G CA -1.242 43.902 45.100 0.073 0.000 1.011 565 G HN 0.552 nan 8.290 nan 0.000 0.497 566 P HA 0.350 nan 4.420 nan 0.000 0.271 566 P C -2.551 174.751 177.300 0.004 0.000 1.238 566 P CA -0.656 62.458 63.100 0.024 0.000 0.794 566 P CB -0.714 31.003 31.700 0.030 0.000 0.959 567 P HA -0.016 nan 4.420 nan 0.000 0.265 567 P C -0.468 176.849 177.300 0.028 0.000 1.187 567 P CA 0.299 63.416 63.100 0.029 0.000 0.766 567 P CB 0.111 31.837 31.700 0.043 0.000 0.820 568 V N 2.846 122.790 119.914 0.051 0.000 2.338 568 V HA 0.194 4.331 4.120 0.028 0.000 0.255 568 V C 1.640 177.721 176.094 -0.021 0.000 1.082 568 V CA 0.602 62.917 62.300 0.025 0.000 0.951 568 V CB -0.405 31.445 31.823 0.044 0.000 1.102 568 V HN 0.658 nan 8.190 nan 0.000 0.489 569 K N 4.043 124.433 120.400 -0.016 0.000 2.007 569 K HA 0.026 4.363 4.320 0.028 0.000 0.206 569 K C 0.846 177.402 176.600 -0.072 0.000 1.047 569 K CA 1.051 57.325 56.287 -0.022 0.000 0.937 569 K CB -0.024 32.475 32.500 -0.002 0.000 0.718 569 K HN 0.716 nan 8.250 nan 0.000 0.438 570 E N 1.766 121.917 120.200 -0.082 0.000 2.256 570 E HA 0.242 4.610 4.350 0.028 0.000 0.243 570 E C -2.687 173.820 176.600 -0.155 0.000 0.925 570 E CA -2.062 54.277 56.400 -0.103 0.000 0.748 570 E CB 1.242 30.908 29.700 -0.057 0.000 1.206 570 E HN 0.347 nan 8.360 nan 0.000 0.428 571 P HA 0.096 nan 4.420 nan 0.000 0.267 571 P C -2.288 174.921 177.300 -0.151 0.000 1.200 571 P CA -0.946 61.945 63.100 -0.349 0.000 0.772 571 P CB -0.254 31.048 31.700 -0.662 0.000 0.855 572 P HA 0.090 nan 4.420 nan 0.000 0.275 572 P C 0.467 177.736 177.300 -0.052 0.000 1.227 572 P CA -0.012 63.001 63.100 -0.146 0.000 0.781 572 P CB 0.385 31.916 31.700 -0.281 0.000 0.906 573 T N -2.673 111.852 114.554 -0.049 0.000 3.085 573 T HA 0.178 4.545 4.350 0.028 0.000 0.264 573 T C 0.089 174.741 174.700 -0.080 0.000 1.019 573 T CA -0.365 61.703 62.100 -0.053 0.000 0.910 573 T CB -0.365 68.469 68.868 -0.056 0.000 1.059 573 T HN 0.446 nan 8.240 nan 0.000 0.542 574 D N 1.131 121.488 120.400 -0.070 0.000 2.423 574 D HA 0.568 5.225 4.640 0.028 0.000 0.235 574 D C -0.310 175.961 176.300 -0.049 0.000 1.011 574 D CA -1.071 52.894 54.000 -0.057 0.000 0.963 574 D CB 1.852 42.621 40.800 -0.052 0.000 1.349 574 D HN 0.218 nan 8.370 nan 0.000 0.508 575 V N -3.034 116.863 119.914 -0.028 0.000 2.823 575 V HA 0.695 4.832 4.120 0.028 0.000 0.312 575 V C -0.069 176.021 176.094 -0.006 0.000 1.072 575 V CA -0.827 61.462 62.300 -0.019 0.000 0.937 575 V CB 1.447 33.263 31.823 -0.011 0.000 1.013 575 V HN 0.603 nan 8.190 nan 0.000 0.430 576 T N 5.430 119.984 114.554 0.001 0.000 2.779 576 T HA 0.340 4.707 4.350 0.028 0.000 0.296 576 T C -2.482 172.210 174.700 -0.013 0.000 0.938 576 T CA -0.337 61.772 62.100 0.014 0.000 1.119 576 T CB 0.633 69.510 68.868 0.015 0.000 0.891 576 T HN 0.692 nan 8.240 nan 0.000 0.526 577 P HA 0.207 nan 4.420 nan 0.000 0.264 577 P C -0.662 176.619 177.300 -0.031 0.000 1.193 577 P CA 0.001 63.100 63.100 -0.001 0.000 0.763 577 P CB 0.442 32.214 31.700 0.121 0.000 0.810 578 T N 3.299 117.686 114.554 -0.279 0.000 3.172 578 T HA 0.594 4.961 4.350 0.028 0.000 0.320 578 T C -0.899 173.450 174.700 -0.585 0.000 1.085 578 T CA -0.188 61.767 62.100 -0.242 0.000 1.052 578 T CB 0.452 69.224 68.868 -0.160 0.000 1.107 578 T HN 0.060 nan 8.240 nan 0.000 0.458 579 F N 0.480 120.440 119.950 0.017 0.000 2.706 579 F HA 0.552 5.096 4.527 0.028 0.000 0.328 579 F C -0.114 175.702 175.800 0.026 0.000 1.123 579 F CA -1.487 56.526 58.000 0.022 0.000 0.978 579 F CB 1.196 40.207 39.000 0.018 0.000 1.404 579 F HN 0.296 nan 8.300 nan 0.000 0.497 580 L N 2.297 123.680 121.223 0.267 0.000 2.376 580 L HA 0.227 4.584 4.340 0.028 0.000 0.250 580 L C -0.070 176.832 176.870 0.054 0.000 1.335 580 L CA -0.177 54.781 54.840 0.198 0.000 1.214 580 L CB -1.492 40.755 42.059 0.313 0.000 1.395 580 L HN 0.615 nan 8.230 nan 0.000 0.424 581 T N -4.367 110.192 114.554 0.007 0.000 2.940 581 T HA 0.249 4.616 4.350 0.028 0.000 0.288 581 T C 1.361 175.965 174.700 -0.161 0.000 1.033 581 T CA -0.150 61.894 62.100 -0.094 0.000 1.033 581 T CB 1.784 70.654 68.868 0.004 0.000 1.079 581 T HN 0.454 nan 8.240 nan 0.000 0.496 582 T N -0.552 113.880 114.554 -0.203 0.000 2.737 582 T HA -0.056 4.311 4.350 0.028 0.000 0.269 582 T C 2.235 176.898 174.700 -0.062 0.000 1.040 582 T CA 1.539 63.546 62.100 -0.156 0.000 1.142 582 T CB -1.286 67.553 68.868 -0.048 0.000 0.861 582 T HN 0.866 nan 8.240 nan 0.000 0.456 583 G N 0.623 109.405 108.800 -0.031 0.000 2.408 583 G HA2 -0.058 3.919 3.960 0.028 0.000 0.217 583 G HA3 -0.058 3.919 3.960 0.028 0.000 0.217 583 G C 1.665 176.565 174.900 0.000 0.000 1.150 583 G CA 0.718 45.814 45.100 -0.007 0.000 0.776 583 G HN 0.480 nan 8.290 nan 0.000 0.542 584 V N 0.987 120.903 119.914 0.003 0.000 2.295 584 V HA -0.114 4.023 4.120 0.028 0.000 0.246 584 V C 2.922 179.030 176.094 0.024 0.000 1.049 584 V CA 1.409 63.720 62.300 0.018 0.000 1.024 584 V CB -0.391 31.452 31.823 0.033 0.000 0.648 584 V HN 0.342 nan 8.190 nan 0.000 0.447 585 L N -0.300 120.929 121.223 0.011 0.000 2.083 585 L HA -0.181 4.176 4.340 0.028 0.000 0.209 585 L C 2.702 179.590 176.870 0.029 0.000 1.083 585 L CA 1.825 56.684 54.840 0.032 0.000 0.752 585 L CB -0.695 41.357 42.059 -0.013 0.000 0.899 585 L HN 0.383 nan 8.230 nan 0.000 0.433 586 S N -0.737 114.967 115.700 0.007 0.000 2.368 586 S HA -0.190 4.297 4.470 0.028 0.000 0.225 586 S C 1.996 176.606 174.600 0.017 0.000 1.030 586 S CA 2.031 60.235 58.200 0.005 0.000 0.999 586 S CB -0.169 63.030 63.200 -0.003 0.000 0.844 586 S HN 0.430 nan 8.310 nan 0.000 0.459 587 T N 2.662 117.229 114.554 0.022 0.000 2.652 587 T HA -0.088 4.279 4.350 0.028 0.000 0.267 587 T C 1.709 176.437 174.700 0.046 0.000 1.039 587 T CA 1.552 63.670 62.100 0.029 0.000 1.153 587 T CB -0.585 68.297 68.868 0.022 0.000 0.863 587 T HN 0.320 nan 8.240 nan 0.000 0.428 588 L N 1.038 122.292 121.223 0.052 0.000 2.083 588 L HA 0.088 4.445 4.340 0.028 0.000 0.209 588 L C 2.473 179.401 176.870 0.096 0.000 1.083 588 L CA 1.673 56.554 54.840 0.069 0.000 0.752 588 L CB -0.573 41.529 42.059 0.072 0.000 0.899 588 L HN 0.048 nan 8.230 nan 0.000 0.433 589 R N -1.084 119.469 120.500 0.088 0.000 2.091 589 R HA -0.242 4.115 4.340 0.028 0.000 0.238 589 R C 2.366 178.734 176.300 0.113 0.000 1.136 589 R CA 1.791 57.946 56.100 0.093 0.000 0.959 589 R CB -0.192 30.135 30.300 0.045 0.000 0.856 589 R HN 0.465 nan 8.270 nan 0.000 0.437 590 Q N -0.093 119.759 119.800 0.087 0.000 2.046 590 Q HA -0.049 4.308 4.340 0.028 0.000 0.200 590 Q C 1.829 177.939 176.000 0.183 0.000 0.975 590 Q CA 2.084 57.959 55.803 0.120 0.000 0.836 590 Q CB -0.326 28.453 28.738 0.067 0.000 0.896 590 Q HN 0.363 nan 8.270 nan 0.000 0.428 591 A N 0.440 123.336 122.820 0.127 0.000 1.883 591 A HA -0.258 4.079 4.320 0.028 0.000 0.217 591 A C 1.959 179.629 177.584 0.143 0.000 1.186 591 A CA 2.076 54.179 52.037 0.110 0.000 0.624 591 A CB -1.268 17.774 19.000 0.070 0.000 0.822 591 A HN 0.653 nan 8.150 nan 0.000 0.444 592 D N -1.652 118.857 120.400 0.181 0.000 2.123 592 D HA -0.214 4.443 4.640 0.028 0.000 0.196 592 D C 1.663 178.167 176.300 0.340 0.000 0.992 592 D CA 1.665 55.825 54.000 0.267 0.000 0.833 592 D CB -0.257 40.696 40.800 0.254 0.000 0.954 592 D HN 0.373 nan 8.370 nan 0.000 0.455 593 F N 1.364 121.386 119.950 0.120 0.000 2.069 593 F HA -0.118 4.426 4.527 0.028 0.000 0.298 593 F C 2.142 178.001 175.800 0.098 0.000 1.113 593 F CA 1.814 59.869 58.000 0.091 0.000 1.214 593 F CB -0.411 38.615 39.000 0.043 0.000 0.978 593 F HN 0.005 nan 8.300 nan 0.000 0.474 594 E N 0.398 120.648 120.200 0.083 0.000 2.038 594 E HA -0.240 4.127 4.350 0.028 0.000 0.195 594 E C 2.416 178.969 176.600 -0.077 0.000 1.000 594 E CA 1.139 57.509 56.400 -0.050 0.000 0.803 594 E CB -0.655 29.078 29.700 0.055 0.000 0.750 594 E HN 0.498 nan 8.360 nan 0.000 0.448 595 A N 1.441 124.249 122.820 -0.021 0.000 1.884 595 A HA -0.275 4.062 4.320 0.028 0.000 0.219 595 A C 1.851 179.356 177.584 -0.133 0.000 1.197 595 A CA 2.197 54.185 52.037 -0.080 0.000 0.637 595 A CB -1.090 17.854 19.000 -0.092 0.000 0.827 595 A HN 0.295 nan 8.150 nan 0.000 0.450 596 H N -0.445 118.599 119.070 -0.044 0.000 2.423 596 H HA -0.048 4.525 4.556 0.028 0.000 0.297 596 H C 2.108 177.375 175.328 -0.101 0.000 1.075 596 H CA 1.430 57.458 56.048 -0.035 0.000 1.342 596 H CB 0.008 29.772 29.762 0.004 0.000 1.395 596 H HN 0.443 nan 8.280 nan 0.000 0.530 597 N N 0.323 118.943 118.700 -0.134 0.000 2.106 597 N HA -0.106 4.651 4.740 0.028 0.000 0.188 597 N C 1.893 177.336 175.510 -0.111 0.000 1.029 597 N CA 0.973 53.894 53.050 -0.215 0.000 0.848 597 N CB -0.171 38.044 38.487 -0.455 0.000 1.007 597 N HN 0.337 nan 8.380 nan 0.000 0.423 598 I N 0.589 121.100 120.570 -0.099 0.000 2.226 598 I HA -0.250 3.937 4.170 0.028 0.000 0.245 598 I C 2.191 178.294 176.117 -0.023 0.000 1.100 598 I CA 0.655 61.920 61.300 -0.059 0.000 1.374 598 I CB -0.165 37.796 38.000 -0.065 0.000 1.057 598 I HN 0.069 nan 8.210 nan 0.000 0.413 599 L N 0.875 122.086 121.223 -0.021 0.000 2.083 599 L HA -0.211 4.146 4.340 0.028 0.000 0.209 599 L C 2.562 179.478 176.870 0.078 0.000 1.083 599 L CA 1.829 56.685 54.840 0.028 0.000 0.752 599 L CB -0.584 41.480 42.059 0.009 0.000 0.899 599 L HN 0.080 nan 8.230 nan 0.000 0.433 600 R N -0.576 119.957 120.500 0.054 0.000 2.075 600 R HA -0.064 4.293 4.340 0.028 0.000 0.226 600 R C 1.932 178.248 176.300 0.028 0.000 1.114 600 R CA 1.297 57.426 56.100 0.049 0.000 0.972 600 R CB -0.064 30.253 30.300 0.028 0.000 0.869 600 R HN 0.449 nan 8.270 nan 0.000 0.437 601 E N -0.457 119.749 120.200 0.010 0.000 2.511 601 E HA -0.053 4.314 4.350 0.028 0.000 0.196 601 E C 1.062 177.682 176.600 0.032 0.000 1.066 601 E CA 0.845 57.249 56.400 0.007 0.000 0.871 601 E CB 0.485 30.176 29.700 -0.014 0.000 0.863 601 E HN 0.376 nan 8.360 nan 0.000 0.520 602 S N -1.492 114.251 115.700 0.071 0.000 2.511 602 S HA 0.244 4.731 4.470 0.028 0.000 0.214 602 S C 1.606 176.319 174.600 0.190 0.000 0.997 602 S CA 0.225 58.510 58.200 0.141 0.000 0.908 602 S CB 0.768 64.064 63.200 0.161 0.000 0.803 602 S HN 0.280 nan 8.310 nan 0.000 0.504 603 G N 0.414 109.265 108.800 0.086 0.000 2.175 603 G HA2 -0.286 3.691 3.960 0.028 0.000 0.244 603 G HA3 -0.286 3.691 3.960 0.028 0.000 0.244 603 G C 0.242 175.043 174.900 -0.165 0.000 0.982 603 G CA 0.367 45.427 45.100 -0.067 0.000 0.641 603 G HN 0.590 nan 8.290 nan 0.000 0.527 604 Y N 0.435 120.743 120.300 0.013 0.000 2.458 604 Y HA 0.507 5.074 4.550 0.028 0.000 0.256 604 Y C 2.661 178.595 175.900 0.057 0.000 1.159 604 Y CA 0.894 59.006 58.100 0.021 0.000 1.261 604 Y CB 0.153 38.614 38.460 0.002 0.000 1.119 604 Y HN 0.363 nan 8.280 nan 0.000 0.524 605 A N 0.525 123.458 122.820 0.189 0.000 1.903 605 A HA -0.253 4.084 4.320 0.028 0.000 0.219 605 A C 2.492 180.253 177.584 0.295 0.000 1.191 605 A CA 2.167 54.351 52.037 0.245 0.000 0.638 605 A CB -1.308 17.793 19.000 0.169 0.000 0.823 605 A HN 0.495 nan 8.150 nan 0.000 0.451 606 G N -1.594 107.297 108.800 0.152 0.000 2.598 606 G HA2 -0.063 3.915 3.960 0.028 0.000 0.215 606 G HA3 -0.063 3.915 3.960 0.028 0.000 0.215 606 G C 1.426 176.404 174.900 0.129 0.000 1.131 606 G CA 0.651 45.829 45.100 0.131 0.000 0.785 606 G HN 0.405 nan 8.290 nan 0.000 0.539 607 K N 0.060 120.539 120.400 0.131 0.000 2.365 607 K HA 0.153 4.490 4.320 0.028 0.000 0.197 607 K C 0.992 177.641 176.600 0.083 0.000 1.042 607 K CA 0.019 56.371 56.287 0.108 0.000 0.987 607 K CB 0.171 32.772 32.500 0.167 0.000 0.779 607 K HN 0.618 nan 8.250 nan 0.000 0.484 608 I N -3.120 117.510 120.570 0.099 0.000 2.648 608 I HA 0.232 4.419 4.170 0.028 0.000 0.304 608 I C 0.813 176.931 176.117 0.001 0.000 1.009 608 I CA -0.408 60.900 61.300 0.014 0.000 1.114 608 I CB 2.283 40.268 38.000 -0.025 0.000 1.293 608 I HN -0.293 nan 8.210 nan 0.000 0.449 609 S N 2.016 117.701 115.700 -0.025 0.000 2.414 609 S HA 0.057 4.544 4.470 0.028 0.000 0.227 609 S C 0.479 175.131 174.600 0.088 0.000 1.022 609 S CA 0.527 58.767 58.200 0.067 0.000 0.958 609 S CB -0.203 62.962 63.200 -0.057 0.000 0.797 609 S HN 0.769 nan 8.310 nan 0.000 0.493 610 Q N -0.605 119.180 119.800 -0.024 0.000 2.574 610 Q HA 0.420 4.777 4.340 0.028 0.000 0.265 610 Q C -2.064 173.964 176.000 0.047 0.000 0.975 610 Q CA -0.148 55.675 55.803 0.033 0.000 0.923 610 Q CB 1.301 30.241 28.738 0.338 0.000 1.518 610 Q HN 0.263 nan 8.270 nan 0.000 0.401 611 M N 4.887 124.529 119.600 0.072 0.000 1.986 611 M HA 0.433 4.930 4.480 0.028 0.000 0.247 611 M C -2.595 173.788 176.300 0.139 0.000 0.851 611 M CA -1.672 53.660 55.300 0.052 0.000 0.785 611 M CB 1.277 33.807 32.600 -0.116 0.000 1.554 611 M HN 0.262 nan 8.290 nan 0.000 0.361 612 P HA 0.052 nan 4.420 nan 0.000 0.265 612 P C -1.127 176.176 177.300 0.004 0.000 1.193 612 P CA -0.039 63.101 63.100 0.066 0.000 0.765 612 P CB 0.736 32.436 31.700 0.001 0.000 0.823 613 V N 5.688 125.628 119.914 0.042 0.000 2.448 613 V HA 0.394 4.531 4.120 0.028 0.000 0.295 613 V C 0.205 176.252 176.094 -0.077 0.000 1.025 613 V CA -0.343 61.942 62.300 -0.025 0.000 0.859 613 V CB 1.388 33.244 31.823 0.056 0.000 0.988 613 V HN 0.339 nan 8.190 nan 0.000 0.431 614 I N 5.283 125.728 120.570 -0.209 0.000 2.509 614 I HA 0.468 4.655 4.170 0.028 0.000 0.293 614 I C -0.683 175.310 176.117 -0.207 0.000 1.020 614 I CA -0.547 60.587 61.300 -0.277 0.000 1.088 614 I CB 1.920 39.533 38.000 -0.645 0.000 1.267 614 I HN 0.410 nan 8.210 nan 0.000 0.430 615 L N 6.302 127.458 121.223 -0.112 0.000 2.275 615 L HA 0.657 5.014 4.340 0.028 0.000 0.288 615 L C 0.054 176.897 176.870 -0.045 0.000 1.046 615 L CA 0.184 54.990 54.840 -0.056 0.000 0.805 615 L CB 1.091 43.143 42.059 -0.011 0.000 1.193 615 L HN 0.783 nan 8.230 nan 0.000 0.426 616 T N 2.701 117.248 114.554 -0.012 0.000 2.855 616 T HA 0.558 4.925 4.350 0.028 0.000 0.281 616 T C -2.441 172.287 174.700 0.048 0.000 1.007 616 T CA -2.005 60.121 62.100 0.043 0.000 1.009 616 T CB 1.598 70.530 68.868 0.107 0.000 0.983 616 T HN 0.524 nan 8.240 nan 0.000 0.455 617 P HA 0.255 nan 4.420 nan 0.000 0.249 617 P C -0.791 176.512 177.300 0.006 0.000 1.686 617 P CA -0.184 62.917 63.100 0.003 0.000 0.873 617 P CB -0.443 31.240 31.700 -0.028 0.000 1.828 618 L N 0.343 121.579 121.223 0.021 0.000 2.349 618 L HA 0.412 4.769 4.340 0.028 0.000 0.278 618 L C 0.179 177.017 176.870 -0.053 0.000 0.996 618 L CA -0.710 54.088 54.840 -0.070 0.000 0.825 618 L CB 2.008 44.023 42.059 -0.072 0.000 1.243 618 L HN 0.122 nan 8.230 nan 0.000 0.412 619 H N 3.341 122.260 119.070 -0.252 0.000 2.638 619 H HA 0.476 5.049 4.556 0.029 0.000 0.303 619 H C -1.025 174.153 175.328 -0.250 0.000 1.034 619 H CA -0.686 55.283 56.048 -0.131 0.000 1.225 619 H CB 0.852 30.573 29.762 -0.067 0.000 1.394 619 H HN 0.367 nan 8.280 nan 0.000 0.477 620 F N 2.233 122.339 119.950 0.260 0.000 2.411 620 F HA 0.127 4.671 4.527 0.028 0.000 0.324 620 F C 0.925 176.776 175.800 0.084 0.000 1.086 620 F CA -0.486 57.583 58.000 0.115 0.000 1.028 620 F CB 0.816 39.874 39.000 0.097 0.000 1.284 620 F HN 0.665 nan 8.300 nan 0.000 0.501 621 D N -0.543 119.992 120.400 0.226 0.000 3.041 621 D HA -0.204 4.453 4.640 0.028 0.000 0.220 621 D C -0.161 176.154 176.300 0.026 0.000 1.157 621 D CA 0.473 54.543 54.000 0.117 0.000 0.876 621 D CB -1.118 39.767 40.800 0.142 0.000 1.107 621 D HN 0.489 nan 8.370 nan 0.000 0.422 622 R N 0.860 121.325 120.500 -0.059 0.000 2.297 622 R HA 0.234 4.591 4.340 0.028 0.000 0.308 622 R C 0.102 176.362 176.300 -0.068 0.000 1.029 622 R CA -0.691 55.339 56.100 -0.116 0.000 0.929 622 R CB 0.858 31.008 30.300 -0.250 0.000 1.046 622 R HN -0.100 nan 8.270 nan 0.000 0.461 623 D N 4.979 125.351 120.400 -0.046 0.000 2.363 623 D HA 0.005 4.662 4.640 0.028 0.000 0.263 623 D C -1.231 175.045 176.300 -0.039 0.000 1.258 623 D CA -1.883 52.099 54.000 -0.031 0.000 0.907 623 D CB 1.092 41.881 40.800 -0.018 0.000 1.107 623 D HN 0.277 nan 8.370 nan 0.000 0.495 624 P HA -0.141 nan 4.420 nan 0.000 0.218 624 P C 0.761 178.043 177.300 -0.030 0.000 1.148 624 P CA 0.815 63.892 63.100 -0.039 0.000 0.822 624 P CB 0.116 31.796 31.700 -0.033 0.000 0.784 625 L N -0.377 120.833 121.223 -0.022 0.000 2.821 625 L HA 0.232 4.589 4.340 0.028 0.000 0.239 625 L C 1.685 178.545 176.870 -0.017 0.000 1.391 625 L CA 0.412 55.242 54.840 -0.017 0.000 1.231 625 L CB -0.803 41.249 42.059 -0.012 0.000 1.598 625 L HN -0.009 nan 8.230 nan 0.000 0.428 626 Q N 0.328 120.115 119.800 -0.022 0.000 1.671 626 Q HA 0.099 4.456 4.340 0.028 0.000 0.177 626 Q C 0.864 176.850 176.000 -0.024 0.000 0.680 626 Q CA 0.697 56.488 55.803 -0.020 0.000 0.748 626 Q CB 0.724 29.449 28.738 -0.022 0.000 1.198 626 Q HN 0.216 nan 8.270 nan 0.000 0.387 627 K N 0.781 121.163 120.400 -0.031 0.000 3.035 627 K HA -0.256 4.081 4.320 0.028 0.000 0.262 627 K C -0.519 176.061 176.600 -0.033 0.000 1.024 627 K CA 1.653 57.921 56.287 -0.031 0.000 0.748 627 K CB -3.055 29.432 32.500 -0.021 0.000 1.247 627 K HN 0.575 nan 8.250 nan 0.000 0.482 628 Q N 0.782 120.553 119.800 -0.048 0.000 2.311 628 Q HA 0.276 4.633 4.340 0.028 0.000 0.272 628 Q C -1.479 174.486 176.000 -0.060 0.000 1.012 628 Q CA -1.231 54.541 55.803 -0.051 0.000 0.891 628 Q CB 0.688 29.379 28.738 -0.078 0.000 1.201 628 Q HN 0.609 nan 8.270 nan 0.000 0.391 629 P HA -0.019 nan 4.420 nan 0.000 0.274 629 P C -0.661 176.653 177.300 0.024 0.000 1.231 629 P CA -0.319 62.780 63.100 -0.001 0.000 0.790 629 P CB 1.007 32.721 31.700 0.023 0.000 0.951 630 S N 0.459 116.183 115.700 0.040 0.000 2.455 630 S HA 0.222 4.709 4.470 0.028 0.000 0.278 630 S C 1.004 175.713 174.600 0.183 0.000 1.216 630 S CA -0.422 57.859 58.200 0.135 0.000 1.055 630 S CB -1.103 62.130 63.200 0.055 0.000 0.939 630 S HN 0.635 nan 8.310 nan 0.000 0.494 631 C N 3.030 122.519 119.300 0.315 0.000 4.100 631 C HA 0.449 4.926 4.460 0.028 0.000 0.393 631 C C 0.455 175.400 174.990 -0.075 0.000 1.619 631 C CA -0.566 58.511 59.018 0.098 0.000 1.976 631 C CB -1.144 26.656 27.740 0.100 0.000 2.992 631 C HN 0.730 nan 8.230 nan 0.000 0.694 632 Q N 1.194 120.773 119.800 -0.369 0.000 2.180 632 Q HA 0.668 5.025 4.340 0.028 0.000 0.241 632 Q C -0.654 175.229 176.000 -0.194 0.000 0.970 632 Q CA -0.209 55.329 55.803 -0.443 0.000 0.919 632 Q CB 1.435 29.651 28.738 -0.871 0.000 1.222 632 Q HN 0.492 nan 8.270 nan 0.000 0.482 633 R N -0.333 120.109 120.500 -0.097 0.000 2.888 633 R HA 0.604 4.961 4.340 0.028 0.000 0.266 633 R C -1.103 175.231 176.300 0.057 0.000 1.020 633 R CA -0.572 55.525 56.100 -0.005 0.000 0.963 633 R CB 2.212 32.510 30.300 -0.003 0.000 1.197 633 R HN 0.463 nan 8.270 nan 0.000 0.481 634 S N 0.300 116.065 115.700 0.109 0.000 2.536 634 S HA 0.488 4.975 4.470 0.028 0.000 0.298 634 S C -0.890 173.759 174.600 0.083 0.000 1.083 634 S CA -0.748 57.547 58.200 0.159 0.000 0.995 634 S CB 2.208 65.614 63.200 0.344 0.000 1.058 634 S HN 0.207 nan 8.310 nan 0.000 0.488 635 V N 2.794 122.748 119.914 0.066 0.000 2.483 635 V HA 0.490 4.627 4.120 0.028 0.000 0.295 635 V C -0.484 175.603 176.094 -0.012 0.000 1.035 635 V CA -0.582 61.722 62.300 0.007 0.000 0.896 635 V CB 1.733 33.569 31.823 0.021 0.000 0.986 635 V HN 0.685 nan 8.190 nan 0.000 0.447 636 V N 6.239 126.065 119.914 -0.145 0.000 2.398 636 V HA 0.470 4.607 4.120 0.028 0.000 0.286 636 V C -0.062 175.932 176.094 -0.165 0.000 1.026 636 V CA -0.487 61.696 62.300 -0.194 0.000 0.868 636 V CB 1.635 33.109 31.823 -0.582 0.000 0.982 636 V HN 0.656 nan 8.190 nan 0.000 0.443 637 I N 5.613 126.156 120.570 -0.045 0.000 2.352 637 I HA 0.426 4.613 4.170 0.028 0.000 0.290 637 I C 0.588 176.574 176.117 -0.219 0.000 1.036 637 I CA -0.061 61.188 61.300 -0.085 0.000 1.336 637 I CB 0.580 38.611 38.000 0.051 0.000 1.407 637 I HN 0.395 nan 8.210 nan 0.000 0.497 638 R N 5.826 126.218 120.500 -0.180 0.000 2.477 638 R HA 0.233 4.590 4.340 0.028 0.000 0.285 638 R C -0.705 175.551 176.300 -0.073 0.000 1.415 638 R CA -0.454 55.574 56.100 -0.120 0.000 1.446 638 R CB 0.759 31.050 30.300 -0.014 0.000 1.110 638 R HN 0.776 nan 8.270 nan 0.000 0.590 639 T N -0.050 114.412 114.554 -0.155 0.000 2.901 639 T HA 0.403 4.770 4.350 0.028 0.000 0.301 639 T C -0.133 174.653 174.700 0.142 0.000 1.012 639 T CA -0.230 61.855 62.100 -0.025 0.000 1.135 639 T CB 0.767 69.620 68.868 -0.024 0.000 0.936 639 T HN 0.286 nan 8.240 nan 0.000 0.539 640 F N 2.157 122.077 119.950 -0.050 0.000 2.581 640 F HA 0.670 5.213 4.527 0.026 0.000 0.311 640 F C -1.359 174.406 175.800 -0.057 0.000 1.113 640 F CA -1.777 56.206 58.000 -0.029 0.000 0.935 640 F CB 1.661 40.678 39.000 0.027 0.000 1.232 640 F HN 0.604 nan 8.300 nan 0.000 0.445 641 I N 4.549 124.705 120.570 -0.690 0.000 2.447 641 I HA 0.514 4.701 4.170 0.028 0.000 0.287 641 I C -0.519 175.167 176.117 -0.717 0.000 1.023 641 I CA -0.398 60.595 61.300 -0.510 0.000 1.083 641 I CB 2.151 39.970 38.000 -0.302 0.000 1.245 641 I HN 0.589 nan 8.210 nan 0.000 0.434 642 T N 2.119 116.344 114.554 -0.549 0.000 2.853 642 T HA 0.311 4.678 4.350 0.028 0.000 0.311 642 T C 0.331 174.814 174.700 -0.361 0.000 1.307 642 T CA -0.282 61.508 62.100 -0.516 0.000 1.019 642 T CB 1.939 70.423 68.868 -0.639 0.000 1.264 642 T HN 0.475 nan 8.240 nan 0.000 0.497 643 S N 0.796 116.350 115.700 -0.244 0.000 2.441 643 S HA 0.079 4.566 4.470 0.028 0.000 0.224 643 S C 0.906 175.445 174.600 -0.103 0.000 1.043 643 S CA 1.016 59.132 58.200 -0.141 0.000 0.948 643 S CB 0.005 63.158 63.200 -0.077 0.000 0.810 643 S HN 0.890 nan 8.310 nan 0.000 0.504 644 D N -1.667 118.675 120.400 -0.097 0.000 2.516 644 D HA 0.149 4.806 4.640 0.028 0.000 0.241 644 D C 0.183 176.619 176.300 0.227 0.000 1.246 644 D CA -0.274 53.767 54.000 0.068 0.000 0.808 644 D CB -0.501 40.340 40.800 0.069 0.000 1.147 644 D HN 0.189 nan 8.370 nan 0.000 0.527 645 F N -0.152 119.872 119.950 0.123 0.000 2.794 645 F HA -0.294 4.249 4.527 0.026 0.000 0.335 645 F C 1.556 177.434 175.800 0.130 0.000 0.653 645 F CA 1.037 59.142 58.000 0.176 0.000 1.266 645 F CB -1.988 37.090 39.000 0.129 0.000 1.666 645 F HN 0.032 nan 8.300 nan 0.000 0.314 646 M N -0.822 118.900 119.600 0.203 0.000 2.357 646 M HA 0.067 4.565 4.480 0.028 0.000 0.266 646 M C 1.054 177.426 176.300 0.120 0.000 1.095 646 M CA 1.829 57.209 55.300 0.133 0.000 1.156 646 M CB 0.060 32.710 32.600 0.084 0.000 1.365 646 M HN 0.273 nan 8.290 nan 0.000 0.447 647 T N -1.963 112.655 114.554 0.108 0.000 2.896 647 T HA 0.828 5.196 4.350 0.028 0.000 0.297 647 T C -0.349 174.389 174.700 0.064 0.000 1.108 647 T CA -0.524 61.634 62.100 0.097 0.000 1.004 647 T CB 2.484 71.367 68.868 0.026 0.000 1.159 647 T HN 0.320 nan 8.240 nan 0.000 0.499 648 G N 0.286 109.108 108.800 0.036 0.000 2.441 648 G HA2 0.586 4.563 3.960 0.028 0.000 0.294 648 G HA3 0.586 4.563 3.960 0.028 0.000 0.294 648 G C -1.661 173.020 174.900 -0.366 0.000 1.393 648 G CA -0.596 44.257 45.100 -0.412 0.000 0.796 648 G HN 1.347 nan 8.290 nan 0.000 0.494 649 I N -1.910 118.306 120.570 -0.591 0.000 2.892 649 I HA 0.789 4.976 4.170 0.028 0.000 0.306 649 I C -2.634 173.349 176.117 -0.223 0.000 1.078 649 I CA -2.985 58.167 61.300 -0.248 0.000 1.032 649 I CB 2.811 40.724 38.000 -0.145 0.000 1.229 649 I HN 0.329 nan 8.210 nan 0.000 0.435 650 P HA 0.166 nan 4.420 nan 0.000 0.274 650 P C -0.539 176.773 177.300 0.021 0.000 1.237 650 P CA -0.193 62.948 63.100 0.068 0.000 0.793 650 P CB 0.824 32.600 31.700 0.126 0.000 0.977 651 A N 2.012 124.856 122.820 0.040 0.000 2.450 651 A HA 0.321 4.658 4.320 0.028 0.000 0.255 651 A C 0.349 177.969 177.584 0.059 0.000 1.096 651 A CA 0.152 52.205 52.037 0.027 0.000 0.778 651 A CB -0.750 18.264 19.000 0.024 0.000 1.031 651 A HN 0.483 nan 8.150 nan 0.000 0.494 652 T N 5.803 120.339 114.554 -0.030 0.000 2.729 652 T HA 0.402 4.769 4.350 0.028 0.000 0.296 652 T C -2.545 171.968 174.700 -0.313 0.000 0.928 652 T CA -0.722 61.314 62.100 -0.107 0.000 1.045 652 T CB 0.618 69.469 68.868 -0.027 0.000 0.902 652 T HN 0.426 nan 8.240 nan 0.000 0.500 653 P HA 0.217 nan 4.420 nan 0.000 0.264 653 P C 1.040 178.009 177.300 -0.551 0.000 1.193 653 P CA 0.789 63.361 63.100 -0.880 0.000 0.763 653 P CB 0.327 30.934 31.700 -1.821 0.000 0.810 654 G N 2.032 110.636 108.800 -0.326 0.000 2.175 654 G HA2 -0.247 3.730 3.960 0.028 0.000 0.244 654 G HA3 -0.247 3.730 3.960 0.028 0.000 0.244 654 G C 0.823 175.659 174.900 -0.106 0.000 0.982 654 G CA 0.258 45.262 45.100 -0.160 0.000 0.641 654 G HN 0.570 nan 8.290 nan 0.000 0.527 655 N N -0.186 118.439 118.700 -0.126 0.000 3.189 655 N HA 0.117 4.874 4.740 0.028 0.000 0.204 655 N C 1.573 177.051 175.510 -0.053 0.000 1.231 655 N CA 1.063 54.072 53.050 -0.067 0.000 1.130 655 N CB 0.007 38.463 38.487 -0.052 0.000 1.393 655 N HN 0.147 nan 8.380 nan 0.000 0.540 656 E N 0.300 120.467 120.200 -0.056 0.000 2.435 656 E HA 0.311 4.678 4.350 0.028 0.000 0.195 656 E C -0.021 176.565 176.600 -0.024 0.000 1.029 656 E CA 0.247 56.640 56.400 -0.011 0.000 0.865 656 E CB 1.091 30.785 29.700 -0.010 0.000 0.833 656 E HN 0.326 nan 8.360 nan 0.000 0.510 657 I N 0.267 120.737 120.570 -0.166 0.000 2.692 657 I HA 0.285 4.473 4.170 0.028 0.000 0.293 657 I C -2.797 173.063 176.117 -0.429 0.000 1.200 657 I CA -3.006 58.082 61.300 -0.352 0.000 1.036 657 I CB 2.357 40.227 38.000 -0.216 0.000 1.258 657 I HN -0.241 nan 8.210 nan 0.000 0.421 658 P HA 0.105 nan 4.420 nan 0.000 0.271 658 P C 0.886 178.001 177.300 -0.308 0.000 1.216 658 P CA -0.195 62.667 63.100 -0.397 0.000 0.771 658 P CB 1.026 32.479 31.700 -0.412 0.000 0.864 659 V N 3.408 123.178 119.914 -0.241 0.000 2.278 659 V HA -0.299 3.838 4.120 0.028 0.000 0.251 659 V C 2.214 178.229 176.094 -0.132 0.000 1.062 659 V CA 2.388 64.571 62.300 -0.194 0.000 1.038 659 V CB -1.000 30.795 31.823 -0.047 0.000 0.646 659 V HN 0.729 nan 8.190 nan 0.000 0.447 660 E N -0.211 119.924 120.200 -0.108 0.000 2.150 660 E HA -0.175 4.192 4.350 0.028 0.000 0.193 660 E C 2.113 178.655 176.600 -0.096 0.000 0.985 660 E CA 1.495 57.850 56.400 -0.076 0.000 0.814 660 E CB 0.022 29.690 29.700 -0.054 0.000 0.752 660 E HN 0.478 nan 8.360 nan 0.000 0.466 661 V N 0.634 120.465 119.914 -0.139 0.000 2.358 661 V HA -0.212 3.925 4.120 0.028 0.000 0.246 661 V C 2.457 178.475 176.094 -0.126 0.000 1.047 661 V CA 1.314 63.536 62.300 -0.130 0.000 1.035 661 V CB -0.183 31.535 31.823 -0.174 0.000 0.658 661 V HN 0.198 nan 8.190 nan 0.000 0.452 662 V N -0.167 119.653 119.914 -0.157 0.000 2.343 662 V HA -0.240 3.897 4.120 0.028 0.000 0.247 662 V C 2.310 178.295 176.094 -0.181 0.000 1.051 662 V CA 1.877 64.091 62.300 -0.145 0.000 1.036 662 V CB -0.508 31.184 31.823 -0.219 0.000 0.654 662 V HN 0.446 nan 8.190 nan 0.000 0.451 663 L N -0.442 120.689 121.223 -0.154 0.000 2.191 663 L HA -0.189 4.168 4.340 0.028 0.000 0.212 663 L C 2.554 179.338 176.870 -0.144 0.000 1.103 663 L CA 1.488 56.230 54.840 -0.163 0.000 0.769 663 L CB -0.514 41.510 42.059 -0.058 0.000 0.908 663 L HN 0.321 nan 8.230 nan 0.000 0.438 664 K N 0.068 120.403 120.400 -0.109 0.000 2.103 664 K HA -0.103 4.235 4.320 0.028 0.000 0.204 664 K C 2.196 178.743 176.600 -0.089 0.000 1.052 664 K CA 0.982 57.219 56.287 -0.082 0.000 0.945 664 K CB 0.052 32.516 32.500 -0.060 0.000 0.722 664 K HN 0.220 nan 8.250 nan 0.000 0.443 665 M N 0.319 119.856 119.600 -0.104 0.000 2.080 665 M HA -0.204 4.293 4.480 0.028 0.000 0.260 665 M C 2.121 178.351 176.300 -0.116 0.000 1.068 665 M CA 1.434 56.678 55.300 -0.094 0.000 1.109 665 M CB -0.299 32.251 32.600 -0.084 0.000 1.342 665 M HN -0.054 nan 8.290 nan 0.000 0.405 666 V N 0.068 119.856 119.914 -0.211 0.000 2.255 666 V HA -0.287 3.850 4.120 0.028 0.000 0.247 666 V C 2.355 178.368 176.094 -0.134 0.000 1.051 666 V CA 2.472 64.613 62.300 -0.265 0.000 1.018 666 V CB -1.281 30.206 31.823 -0.559 0.000 0.641 666 V HN 0.512 nan 8.190 nan 0.000 0.445 667 T N -0.463 114.026 114.554 -0.110 0.000 2.684 667 T HA -0.192 4.175 4.350 0.028 0.000 0.267 667 T C 1.905 176.587 174.700 -0.032 0.000 1.036 667 T CA 1.630 63.697 62.100 -0.054 0.000 1.148 667 T CB -0.280 68.563 68.868 -0.042 0.000 0.863 667 T HN 0.454 nan 8.240 nan 0.000 0.436 668 E N 0.825 121.005 120.200 -0.034 0.000 2.047 668 E HA 0.023 4.390 4.350 0.028 0.000 0.191 668 E C 2.290 178.892 176.600 0.002 0.000 0.987 668 E CA 0.774 57.168 56.400 -0.011 0.000 0.799 668 E CB -0.424 29.269 29.700 -0.012 0.000 0.752 668 E HN 0.525 nan 8.360 nan 0.000 0.449 669 I N 1.052 121.618 120.570 -0.006 0.000 2.394 669 I HA -0.184 4.003 4.170 0.028 0.000 0.251 669 I C 2.421 178.549 176.117 0.017 0.000 1.136 669 I CA 0.725 62.032 61.300 0.013 0.000 1.425 669 I CB -0.176 37.829 38.000 0.009 0.000 1.079 669 I HN -0.067 nan 8.210 nan 0.000 0.425 670 K N 1.622 122.026 120.400 0.007 0.000 2.152 670 K HA -0.191 4.146 4.320 0.028 0.000 0.206 670 K C 1.909 178.522 176.600 0.022 0.000 1.048 670 K CA 1.500 57.798 56.287 0.018 0.000 0.933 670 K CB -0.089 32.418 32.500 0.012 0.000 0.721 670 K HN 0.357 nan 8.250 nan 0.000 0.447 671 K N 0.072 120.484 120.400 0.019 0.000 2.211 671 K HA 0.011 4.348 4.320 0.028 0.000 0.203 671 K C 0.736 177.351 176.600 0.025 0.000 1.050 671 K CA 0.245 56.546 56.287 0.022 0.000 0.945 671 K CB -0.031 32.482 32.500 0.022 0.000 0.732 671 K HN 0.087 nan 8.250 nan 0.000 0.451 672 I N 3.269 123.857 120.570 0.029 0.000 2.741 672 I HA -0.049 4.138 4.170 0.028 0.000 0.288 672 I C -2.166 173.963 176.117 0.021 0.000 1.192 672 I CA -1.744 59.573 61.300 0.029 0.000 1.426 672 I CB 0.051 38.072 38.000 0.036 0.000 1.367 672 I HN -0.127 nan 8.210 nan 0.000 0.563 673 P HA 0.043 nan 4.420 nan 0.000 0.265 673 P C 0.730 178.031 177.300 0.002 0.000 1.193 673 P CA 0.561 63.667 63.100 0.010 0.000 0.765 673 P CB 0.590 32.296 31.700 0.011 0.000 0.823 674 G N 2.409 111.202 108.800 -0.012 0.000 2.175 674 G HA2 -0.173 3.804 3.960 0.028 0.000 0.244 674 G HA3 -0.173 3.804 3.960 0.028 0.000 0.244 674 G C -0.036 174.835 174.900 -0.048 0.000 0.982 674 G CA -0.559 44.518 45.100 -0.037 0.000 0.641 674 G HN 0.468 nan 8.290 nan 0.000 0.527 675 I N 2.064 122.624 120.570 -0.017 0.000 2.307 675 I HA 0.408 4.595 4.170 0.028 0.000 0.289 675 I C 1.339 177.472 176.117 0.026 0.000 1.021 675 I CA 0.398 61.703 61.300 0.008 0.000 1.224 675 I CB 0.890 38.906 38.000 0.027 0.000 1.376 675 I HN 0.140 nan 8.210 nan 0.000 0.470 676 S N 7.419 123.147 115.700 0.048 0.000 2.341 676 S HA 0.192 4.679 4.470 0.028 0.000 0.204 676 S C 1.021 175.719 174.600 0.165 0.000 1.038 676 S CA 0.734 59.016 58.200 0.138 0.000 1.013 676 S CB 0.423 63.767 63.200 0.240 0.000 0.994 676 S HN 0.569 nan 8.310 nan 0.000 0.430 677 R N 0.352 120.977 120.500 0.209 0.000 2.828 677 R HA 0.522 4.879 4.340 0.028 0.000 0.264 677 R C -0.735 175.630 176.300 0.107 0.000 1.022 677 R CA -0.711 55.441 56.100 0.087 0.000 1.021 677 R CB 0.887 31.087 30.300 -0.167 0.000 1.163 677 R HN 0.392 nan 8.270 nan 0.000 0.494 678 I N 1.952 122.603 120.570 0.135 0.000 2.525 678 I HA 0.461 4.648 4.170 0.028 0.000 0.301 678 I C 0.323 176.662 176.117 0.370 0.000 0.992 678 I CA -0.630 60.806 61.300 0.227 0.000 1.162 678 I CB 1.321 39.433 38.000 0.187 0.000 1.332 678 I HN 0.419 nan 8.210 nan 0.000 0.458 679 M N 4.719 124.520 119.600 0.334 0.000 2.572 679 M HA 0.384 4.881 4.480 0.028 0.000 0.299 679 M C -1.562 174.993 176.300 0.425 0.000 1.205 679 M CA -0.760 54.707 55.300 0.278 0.000 0.876 679 M CB 3.151 35.846 32.600 0.157 0.000 1.728 679 M HN 0.400 nan 8.290 nan 0.000 0.458 680 Y N 0.992 121.441 120.300 0.249 0.000 2.326 680 Y HA 0.287 4.855 4.550 0.029 0.000 0.331 680 Y C -0.614 175.446 175.900 0.267 0.000 0.962 680 Y CA -0.712 57.574 58.100 0.310 0.000 1.167 680 Y CB 0.946 39.651 38.460 0.408 0.000 1.148 680 Y HN 0.544 nan 8.280 nan 0.000 0.463 681 D N 5.510 125.879 120.400 -0.052 0.000 2.371 681 D HA 0.087 4.744 4.640 0.028 0.000 0.256 681 D C 0.246 176.602 176.300 0.093 0.000 1.193 681 D CA 0.599 54.673 54.000 0.125 0.000 0.881 681 D CB 0.964 41.905 40.800 0.234 0.000 1.143 681 D HN 0.794 nan 8.370 nan 0.000 0.473 682 L N 2.602 123.947 121.223 0.203 0.000 2.640 682 L HA 0.119 4.476 4.340 0.028 0.000 0.230 682 L C 0.813 177.764 176.870 0.135 0.000 1.123 682 L CA 0.087 55.060 54.840 0.222 0.000 0.900 682 L CB 0.257 42.455 42.059 0.231 0.000 1.146 682 L HN 0.236 nan 8.230 nan 0.000 0.484 683 T N -0.476 114.139 114.554 0.102 0.000 2.856 683 T HA 0.322 4.689 4.350 0.028 0.000 0.292 683 T C 0.457 175.222 174.700 0.108 0.000 0.980 683 T CA -0.264 61.871 62.100 0.058 0.000 1.091 683 T CB 1.698 70.558 68.868 -0.013 0.000 0.936 683 T HN -0.023 nan 8.240 nan 0.000 0.503 684 S N 1.622 117.375 115.700 0.088 0.000 2.693 684 S HA 0.436 4.923 4.470 0.028 0.000 0.276 684 S C 0.015 174.697 174.600 0.138 0.000 1.192 684 S CA -0.928 57.354 58.200 0.137 0.000 0.994 684 S CB 0.954 64.190 63.200 0.060 0.000 1.012 684 S HN 0.637 nan 8.310 nan 0.000 0.550 685 K N 2.389 122.925 120.400 0.226 0.000 2.265 685 K HA 0.405 4.742 4.320 0.028 0.000 0.267 685 K C -2.617 174.035 176.600 0.087 0.000 0.994 685 K CA -2.120 54.257 56.287 0.151 0.000 0.860 685 K CB 0.863 33.517 32.500 0.256 0.000 1.099 685 K HN 0.279 nan 8.250 nan 0.000 0.448 686 P HA 0.204 nan 4.420 nan 0.000 0.279 686 P C -2.339 174.942 177.300 -0.031 0.000 1.276 686 P CA -1.301 61.788 63.100 -0.019 0.000 0.801 686 P CB 0.528 32.201 31.700 -0.044 0.000 1.127 687 P HA 0.069 nan 4.420 nan 0.000 0.245 687 P C 0.926 178.153 177.300 -0.122 0.000 1.206 687 P CA 0.564 63.600 63.100 -0.106 0.000 0.781 687 P CB -0.089 31.534 31.700 -0.128 0.000 0.994 688 G N 0.295 109.037 108.800 -0.098 0.000 2.563 688 G HA2 0.474 4.451 3.960 0.028 0.000 0.283 688 G HA3 0.474 4.451 3.960 0.028 0.000 0.283 688 G C -0.224 174.590 174.900 -0.142 0.000 1.309 688 G CA 0.090 45.104 45.100 -0.142 0.000 1.022 688 G HN 0.272 nan 8.290 nan 0.000 0.501 689 T N -4.852 109.580 114.554 -0.205 0.000 2.742 689 T HA 0.508 4.875 4.350 0.028 0.000 0.282 689 T C 1.243 175.713 174.700 -0.383 0.000 1.025 689 T CA 0.235 62.197 62.100 -0.230 0.000 1.020 689 T CB 1.198 69.950 68.868 -0.192 0.000 1.317 689 T HN 0.282 nan 8.240 nan 0.000 0.538 690 T N 0.682 114.935 114.554 -0.502 0.000 2.668 690 T HA 0.041 4.408 4.350 0.028 0.000 0.262 690 T C 0.664 175.225 174.700 -0.232 0.000 1.045 690 T CA 1.027 62.724 62.100 -0.672 0.000 1.152 690 T CB -0.278 68.319 68.868 -0.452 0.000 0.864 690 T HN 0.572 nan 8.240 nan 0.000 0.419 691 E N -0.135 119.991 120.200 -0.123 0.000 2.314 691 E HA 0.084 4.451 4.350 0.028 0.000 0.262 691 E C 0.037 176.713 176.600 0.127 0.000 1.093 691 E CA -0.370 56.039 56.400 0.015 0.000 0.908 691 E CB 0.692 30.367 29.700 -0.042 0.000 1.091 691 E HN 0.387 nan 8.360 nan 0.000 0.425 692 W N 0.766 122.007 121.300 -0.099 0.000 3.003 692 W HA 0.078 4.755 4.660 0.027 0.000 0.257 692 W C 0.699 177.194 176.519 -0.040 0.000 1.308 692 W CA 0.165 57.468 57.345 -0.070 0.000 1.529 692 W CB 0.594 30.033 29.460 -0.036 0.000 1.115 692 W HN 0.421 nan 8.180 nan 0.000 0.659 693 E N 0.000 120.294 120.200 0.157 0.000 2.725 693 E HA 0.000 4.367 4.350 0.028 0.000 0.291 693 E CA 0.000 56.503 56.400 0.171 0.000 0.976 693 E CB 0.000 29.788 29.700 0.147 0.000 0.812 693 E HN 0.000 nan 8.360 nan 0.000 0.440