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 2gaj_1_A DATA FIRST_RESID 7 DATA SEQUENCE KYIVVESPAK AKTIKSILGN EYEVFASMGH IIDLPKSKFG VDLEKDFEPE DATA SEQUENCE FAVIKGKEKV VEKLKDLAKK GELLIASDMD REGEAIAWHI ARVTNTLGRK DATA SEQUENCE NRIVFSEITP RVIREAVKNP REIDMKKVRA QLARRILDRI VGYSLSPVLW DATA SEQUENCE RNFKSNLSAG RVQSATLKLV CDREREILRF VPKKYHRITV NFDGLTAEID DATA SEQUENCE VKEKKFFDAE TLKEIQSIDE LVVEEKKVSV KKFAPPEPFK TSTLQQEAYS DATA SEQUENCE KLGFSVSKTM MIAQQLYEGV ETKDGHIAFI TYMRTDSTRV SDYAKEEARN DATA SEQUENCE LITEVFGEEY VGXXXXXXXX XXXXXXAHEA IRPTNVFMTP EEAGKYLNSD DATA SEQUENCE QKKLYELIWK RFLASQMKPS QYEETRFVLR TKDGKYRFKG TVLKKIFDGY DATA SEQUENCE EKVWKTERNT GEFPFEEGES VKPVVVKIEE QETKPKPRYT EGSLVKEMER DATA SEQUENCE LGIGRPSTYA STIKLLLNRG YIKKIRGYLY PTIVGSVVMD YLEKKYSDVV DATA SEQUENCE SVSFTAEMEK DLDEVEQGKK TDKIVLREFY ESFSSVFDRN DRIVVDFPTN DATA SEQUENCE QKcScGKEMR LSFGKYGFYL KcEcGKTRSV KNDEIAVIDD GKIFL 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 7 K HA 0.000 nan 4.320 nan 0.000 0.191 7 K C 0.000 176.308 176.600 -0.487 0.000 0.988 7 K CA 0.000 56.034 56.287 -0.422 0.000 0.838 7 K CB 0.000 32.231 32.500 -0.449 0.000 1.064 8 Y N 2.272 122.632 120.300 0.101 0.000 2.393 8 Y HA 0.585 5.134 4.550 -0.001 0.000 0.341 8 Y C 0.554 176.544 175.900 0.150 0.000 0.988 8 Y CA -0.823 57.346 58.100 0.114 0.000 1.078 8 Y CB 1.744 40.234 38.460 0.050 0.000 1.203 8 Y HN 0.354 nan 8.280 nan 0.000 0.453 9 I N 3.662 124.399 120.570 0.279 0.000 2.404 9 I HA 0.488 4.657 4.170 -0.001 0.000 0.293 9 I C -1.018 175.220 176.117 0.202 0.000 0.992 9 I CA -1.096 60.313 61.300 0.181 0.000 1.149 9 I CB 1.657 39.697 38.000 0.066 0.000 1.315 9 I HN 0.245 nan 8.210 nan 0.000 0.446 10 V N 6.797 126.814 119.914 0.171 0.000 2.417 10 V HA 0.529 4.648 4.120 -0.001 0.000 0.291 10 V C 0.060 176.201 176.094 0.079 0.000 1.024 10 V CA -0.626 61.776 62.300 0.170 0.000 0.861 10 V CB 1.542 33.476 31.823 0.185 0.000 0.985 10 V HN 0.558 nan 8.190 nan 0.000 0.436 11 V N 1.972 121.895 119.914 0.015 0.000 3.158 11 V HA 0.705 4.825 4.120 -0.001 0.000 0.315 11 V C 0.924 176.974 176.094 -0.074 0.000 1.148 11 V CA -0.505 61.791 62.300 -0.007 0.000 1.042 11 V CB 2.220 34.041 31.823 -0.004 0.000 1.101 11 V HN 0.731 nan 8.190 nan 0.000 0.448 12 E N 1.441 121.612 120.200 -0.049 0.000 2.140 12 E HA 0.049 4.398 4.350 -0.001 0.000 0.191 12 E C 1.005 177.562 176.600 -0.072 0.000 0.973 12 E CA 1.270 57.628 56.400 -0.070 0.000 0.829 12 E CB -0.272 29.396 29.700 -0.053 0.000 0.781 12 E HN 0.914 nan 8.360 nan 0.000 0.466 13 S N 0.778 116.453 115.700 -0.041 0.000 2.537 13 S HA 0.437 4.906 4.470 -0.001 0.000 0.301 13 S C -2.244 172.314 174.600 -0.070 0.000 1.092 13 S CA -1.568 56.611 58.200 -0.036 0.000 1.048 13 S CB 2.363 65.573 63.200 0.017 0.000 1.053 13 S HN -0.274 nan 8.310 nan 0.000 0.501 14 P HA -0.022 nan 4.420 nan 0.000 0.218 14 P C 1.464 178.699 177.300 -0.108 0.000 1.148 14 P CA 1.623 64.667 63.100 -0.093 0.000 0.822 14 P CB -0.104 31.556 31.700 -0.067 0.000 0.784 15 A N -0.015 122.774 122.820 -0.051 0.000 1.898 15 A HA -0.189 4.130 4.320 -0.001 0.000 0.216 15 A C 2.115 179.658 177.584 -0.069 0.000 1.181 15 A CA 1.580 53.604 52.037 -0.023 0.000 0.620 15 A CB -0.955 18.106 19.000 0.101 0.000 0.819 15 A HN 0.112 nan 8.150 nan 0.000 0.442 16 K N -0.214 120.155 120.400 -0.052 0.000 2.097 16 K HA -0.054 4.265 4.320 -0.001 0.000 0.206 16 K C 2.307 178.838 176.600 -0.115 0.000 1.049 16 K CA 1.032 57.272 56.287 -0.079 0.000 0.933 16 K CB -0.336 32.144 32.500 -0.035 0.000 0.717 16 K HN 0.438 nan 8.250 nan 0.000 0.442 17 A N 2.121 124.870 122.820 -0.117 0.000 1.883 17 A HA -0.244 4.076 4.320 -0.001 0.000 0.217 17 A C 1.915 179.404 177.584 -0.159 0.000 1.186 17 A CA 1.707 53.673 52.037 -0.119 0.000 0.624 17 A CB -0.359 18.574 19.000 -0.112 0.000 0.822 17 A HN 0.206 nan 8.150 nan 0.000 0.444 18 K N -0.995 119.247 120.400 -0.264 0.000 2.032 18 K HA -0.120 4.200 4.320 -0.001 0.000 0.209 18 K C 2.173 178.621 176.600 -0.253 0.000 1.048 18 K CA 1.843 57.897 56.287 -0.388 0.000 0.927 18 K CB -0.568 31.385 32.500 -0.911 0.000 0.712 18 K HN 0.527 nan 8.250 nan 0.000 0.441 19 T N 1.923 116.375 114.554 -0.171 0.000 2.708 19 T HA -0.111 4.239 4.350 -0.001 0.000 0.266 19 T C 2.017 176.648 174.700 -0.115 0.000 1.037 19 T CA 1.223 63.298 62.100 -0.041 0.000 1.146 19 T CB -0.226 68.629 68.868 -0.021 0.000 0.865 19 T HN 0.132 nan 8.240 nan 0.000 0.435 20 I N 0.696 121.173 120.570 -0.156 0.000 2.226 20 I HA -0.156 4.013 4.170 -0.001 0.000 0.245 20 I C 2.604 178.643 176.117 -0.131 0.000 1.100 20 I CA 1.109 62.301 61.300 -0.181 0.000 1.374 20 I CB -0.265 37.615 38.000 -0.199 0.000 1.057 20 I HN 0.111 nan 8.210 nan 0.000 0.413 21 K N 1.062 121.404 120.400 -0.097 0.000 2.063 21 K HA -0.138 4.181 4.320 -0.001 0.000 0.208 21 K C 2.167 178.736 176.600 -0.052 0.000 1.048 21 K CA 1.657 57.909 56.287 -0.059 0.000 0.928 21 K CB -0.339 32.131 32.500 -0.050 0.000 0.713 21 K HN 0.065 nan 8.250 nan 0.000 0.442 22 S N 0.152 115.817 115.700 -0.058 0.000 2.383 22 S HA -0.073 4.396 4.470 -0.001 0.000 0.229 22 S C 1.797 176.363 174.600 -0.056 0.000 1.030 22 S CA 1.422 59.597 58.200 -0.041 0.000 1.002 22 S CB -0.293 62.893 63.200 -0.023 0.000 0.829 22 S HN 0.288 nan 8.310 nan 0.000 0.467 23 I N 0.595 121.115 120.570 -0.084 0.000 2.193 23 I HA -0.104 4.066 4.170 -0.001 0.000 0.240 23 I C 1.788 177.861 176.117 -0.073 0.000 1.084 23 I CA 1.171 62.413 61.300 -0.098 0.000 1.365 23 I CB -0.173 37.739 38.000 -0.146 0.000 1.064 23 I HN 0.214 nan 8.210 nan 0.000 0.410 24 L N -0.267 120.915 121.223 -0.068 0.000 2.416 24 L HA 0.256 4.596 4.340 -0.001 0.000 0.216 24 L C 1.551 178.446 176.870 0.041 0.000 1.098 24 L CA 0.379 55.211 54.840 -0.012 0.000 0.840 24 L CB -0.627 41.405 42.059 -0.045 0.000 0.981 24 L HN 0.462 nan 8.230 nan 0.000 0.462 25 G N 1.521 110.329 108.800 0.012 0.000 2.596 25 G HA2 -0.419 3.541 3.960 -0.001 0.000 0.295 25 G HA3 -0.419 3.541 3.960 -0.001 0.000 0.295 25 G C 0.373 175.290 174.900 0.027 0.000 1.240 25 G CA 0.698 45.805 45.100 0.012 0.000 0.985 25 G HN 0.480 nan 8.290 nan 0.000 0.555 26 N N 0.910 119.615 118.700 0.007 0.000 2.515 26 N HA 0.090 4.830 4.740 -0.001 0.000 0.185 26 N C 1.833 177.316 175.510 -0.045 0.000 1.109 26 N CA 0.788 53.829 53.050 -0.015 0.000 0.903 26 N CB 0.132 38.602 38.487 -0.028 0.000 0.969 26 N HN 0.656 nan 8.380 nan 0.000 0.450 27 E N 0.345 120.536 120.200 -0.016 0.000 2.118 27 E HA -0.149 4.201 4.350 -0.001 0.000 0.195 27 E C -0.459 175.920 176.600 -0.369 0.000 0.992 27 E CA 1.154 57.481 56.400 -0.122 0.000 0.804 27 E CB 0.208 29.944 29.700 0.060 0.000 0.741 27 E HN 0.384 nan 8.360 nan 0.000 0.458 28 Y N -0.540 119.701 120.300 -0.098 0.000 2.536 28 Y HA 0.293 4.843 4.550 -0.001 0.000 0.347 28 Y C -0.382 175.454 175.900 -0.106 0.000 1.000 28 Y CA -1.111 56.916 58.100 -0.122 0.000 1.051 28 Y CB 1.711 40.120 38.460 -0.085 0.000 1.259 28 Y HN -0.167 nan 8.280 nan 0.000 0.468 29 E N 1.702 121.893 120.200 -0.014 0.000 2.227 29 E HA 0.575 4.924 4.350 -0.001 0.000 0.282 29 E C -1.693 175.013 176.600 0.177 0.000 1.015 29 E CA -0.559 55.876 56.400 0.059 0.000 0.823 29 E CB 1.022 30.748 29.700 0.043 0.000 1.081 29 E HN 0.437 nan 8.360 nan 0.000 0.396 30 V N 5.540 125.553 119.914 0.166 0.000 2.448 30 V HA 0.434 4.554 4.120 -0.001 0.000 0.295 30 V C -0.816 175.412 176.094 0.223 0.000 1.025 30 V CA -0.805 61.591 62.300 0.159 0.000 0.859 30 V CB 1.021 32.876 31.823 0.054 0.000 0.988 30 V HN 0.602 nan 8.190 nan 0.000 0.431 31 F N 3.966 123.952 119.950 0.060 0.000 2.529 31 F HA 0.841 5.368 4.527 -0.001 0.000 0.320 31 F C 0.051 175.863 175.800 0.018 0.000 1.118 31 F CA -0.917 57.107 58.000 0.040 0.000 0.915 31 F CB 1.563 40.592 39.000 0.048 0.000 1.161 31 F HN 0.597 nan 8.300 nan 0.000 0.445 32 A N 3.438 125.810 122.820 -0.747 0.000 2.276 32 A HA 0.477 4.797 4.320 -0.001 0.000 0.316 32 A C 0.607 177.615 177.584 -0.960 0.000 1.229 32 A CA 0.071 51.727 52.037 -0.636 0.000 0.851 32 A CB 0.495 19.298 19.000 -0.329 0.000 1.165 32 A HN 1.031 nan 8.150 nan 0.000 0.513 33 S N 2.693 118.045 115.700 -0.579 0.000 2.481 33 S HA 0.007 4.477 4.470 -0.001 0.000 0.231 33 S C 0.738 175.218 174.600 -0.200 0.000 0.996 33 S CA 0.762 58.745 58.200 -0.361 0.000 0.942 33 S CB -0.434 62.690 63.200 -0.127 0.000 0.768 33 S HN 1.037 nan 8.310 nan 0.000 0.520 34 M N 0.606 120.099 119.600 -0.179 0.000 2.347 34 M HA -0.061 4.419 4.480 -0.001 0.000 0.198 34 M C 0.738 177.023 176.300 -0.025 0.000 0.549 34 M CA 0.810 56.059 55.300 -0.085 0.000 0.481 34 M CB -2.895 29.667 32.600 -0.064 0.000 1.393 34 M HN 1.087 nan 8.290 nan 0.000 0.905 35 G N -0.757 108.033 108.800 -0.018 0.000 2.587 35 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.212 35 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.212 35 G C -0.525 174.395 174.900 0.033 0.000 1.327 35 G CA 0.059 45.189 45.100 0.051 0.000 0.898 35 G HN 0.781 nan 8.290 nan 0.000 0.551 36 H N 0.041 119.114 119.070 0.006 0.000 2.897 36 H HA 0.438 4.993 4.556 -0.001 0.000 0.347 36 H C 1.883 177.198 175.328 -0.021 0.000 1.068 36 H CA 0.974 57.022 56.048 0.001 0.000 1.426 36 H CB 0.518 30.284 29.762 0.006 0.000 1.410 36 H HN 0.708 nan 8.280 nan 0.000 0.597 37 I N -0.853 119.742 120.570 0.042 0.000 3.790 37 I HA 0.323 4.493 4.170 -0.001 0.000 0.305 37 I C 0.063 176.150 176.117 -0.051 0.000 1.253 37 I CA 0.526 61.825 61.300 -0.002 0.000 1.355 37 I CB 0.696 38.689 38.000 -0.013 0.000 1.137 37 I HN 0.201 nan 8.210 nan 0.000 0.435 38 I N 1.096 121.580 120.570 -0.144 0.000 2.647 38 I HA 0.515 4.684 4.170 -0.001 0.000 0.295 38 I C -1.508 174.483 176.117 -0.209 0.000 1.078 38 I CA -0.499 60.653 61.300 -0.247 0.000 1.048 38 I CB 2.284 39.980 38.000 -0.506 0.000 1.239 38 I HN 0.055 nan 8.210 nan 0.000 0.421 39 D N 3.811 124.206 120.400 -0.008 0.000 2.665 39 D HA 0.451 5.090 4.640 -0.001 0.000 0.287 39 D C -1.064 175.326 176.300 0.151 0.000 1.266 39 D CA -0.449 53.615 54.000 0.107 0.000 0.830 39 D CB 1.863 42.682 40.800 0.032 0.000 1.356 39 D HN 0.256 nan 8.370 nan 0.000 0.437 40 L N 1.494 122.749 121.223 0.054 0.000 2.461 40 L HA 0.274 4.614 4.340 -0.001 0.000 0.272 40 L C -1.701 175.113 176.870 -0.093 0.000 1.197 40 L CA -1.285 53.466 54.840 -0.148 0.000 0.836 40 L CB 0.146 42.069 42.059 -0.227 0.000 1.105 40 L HN 0.312 nan 8.230 nan 0.000 0.477 41 P HA -0.094 nan 4.420 nan 0.000 0.261 41 P C -0.064 177.233 177.300 -0.005 0.000 1.173 41 P CA 0.227 63.297 63.100 -0.050 0.000 0.760 41 P CB 0.518 32.183 31.700 -0.060 0.000 0.783 42 K N 2.966 123.382 120.400 0.026 0.000 2.155 42 K HA -0.099 4.220 4.320 -0.001 0.000 0.203 42 K C 1.521 178.189 176.600 0.113 0.000 1.052 42 K CA 2.080 58.399 56.287 0.054 0.000 0.948 42 K CB -0.378 32.141 32.500 0.031 0.000 0.728 42 K HN 0.485 nan 8.250 nan 0.000 0.448 43 S N -0.612 115.151 115.700 0.106 0.000 2.527 43 S HA 0.188 4.658 4.470 -0.001 0.000 0.225 43 S C 0.417 175.157 174.600 0.234 0.000 1.046 43 S CA -0.372 57.907 58.200 0.132 0.000 0.929 43 S CB -0.206 63.038 63.200 0.073 0.000 0.851 43 S HN -0.053 nan 8.310 nan 0.000 0.565 44 K N 1.312 121.812 120.400 0.167 0.000 2.230 44 K HA 0.194 4.514 4.320 -0.001 0.000 0.253 44 K C 0.727 177.430 176.600 0.173 0.000 1.008 44 K CA -0.370 56.025 56.287 0.180 0.000 0.910 44 K CB -0.006 32.542 32.500 0.079 0.000 0.994 44 K HN 0.243 nan 8.250 nan 0.000 0.495 45 F N 1.034 120.969 119.950 -0.024 0.000 2.084 45 F HA -0.051 4.475 4.527 -0.001 0.000 0.296 45 F C 1.320 176.921 175.800 -0.331 0.000 1.111 45 F CA 2.250 60.077 58.000 -0.287 0.000 1.224 45 F CB -0.556 38.387 39.000 -0.096 0.000 0.991 45 F HN 0.820 nan 8.300 nan 0.000 0.471 46 G N 0.376 108.948 108.800 -0.380 0.000 2.137 46 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.237 46 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.237 46 G C -0.554 173.975 174.900 -0.617 0.000 1.002 46 G CA 0.206 45.038 45.100 -0.447 0.000 0.702 46 G HN 0.641 nan 8.290 nan 0.000 0.515 47 V N 0.090 119.517 119.914 -0.813 0.000 2.612 47 V HA 0.465 4.584 4.120 -0.001 0.000 0.301 47 V C -0.771 175.138 176.094 -0.308 0.000 1.059 47 V CA -0.851 61.069 62.300 -0.633 0.000 0.886 47 V CB 2.008 33.310 31.823 -0.867 0.000 1.007 47 V HN 0.268 nan 8.190 nan 0.000 0.426 48 D N 3.980 124.274 120.400 -0.175 0.000 2.453 48 D HA 0.306 4.946 4.640 -0.001 0.000 0.223 48 D C 1.092 177.293 176.300 -0.164 0.000 1.183 48 D CA -0.087 53.852 54.000 -0.102 0.000 0.933 48 D CB 0.936 41.686 40.800 -0.083 0.000 1.038 48 D HN 0.483 nan 8.370 nan 0.000 0.513 49 L N 2.458 123.595 121.223 -0.145 0.000 2.349 49 L HA -0.101 4.239 4.340 -0.001 0.000 0.220 49 L C 1.844 178.531 176.870 -0.306 0.000 1.130 49 L CA 0.808 55.443 54.840 -0.341 0.000 0.791 49 L CB -0.121 41.799 42.059 -0.232 0.000 0.918 49 L HN 0.372 nan 8.230 nan 0.000 0.444 50 E N 0.138 120.242 120.200 -0.159 0.000 2.442 50 E HA -0.069 4.280 4.350 -0.001 0.000 0.195 50 E C 0.724 177.250 176.600 -0.124 0.000 1.030 50 E CA 0.431 56.763 56.400 -0.113 0.000 0.869 50 E CB 0.225 29.896 29.700 -0.048 0.000 0.857 50 E HN 0.118 nan 8.360 nan 0.000 0.505 51 K N 1.564 121.872 120.400 -0.153 0.000 3.022 51 K HA 0.078 4.398 4.320 -0.001 0.000 0.178 51 K C -1.028 175.486 176.600 -0.143 0.000 1.089 51 K CA -0.202 56.018 56.287 -0.112 0.000 0.916 51 K CB -0.121 32.343 32.500 -0.060 0.000 1.159 51 K HN -0.263 nan 8.250 nan 0.000 0.592 52 D N 2.098 122.356 120.400 -0.237 0.000 2.704 52 D HA -0.252 4.387 4.640 -0.001 0.000 0.232 52 D C -0.949 175.304 176.300 -0.078 0.000 1.183 52 D CA 1.287 55.158 54.000 -0.216 0.000 0.647 52 D CB -0.967 39.842 40.800 0.015 0.000 1.013 52 D HN 0.603 nan 8.370 nan 0.000 0.415 53 F N -2.820 117.090 119.950 -0.066 0.000 3.058 53 F HA -0.265 4.261 4.527 -0.001 0.000 0.295 53 F C 0.871 176.607 175.800 -0.107 0.000 0.875 53 F CA 0.672 58.609 58.000 -0.105 0.000 1.150 53 F CB -1.866 37.080 39.000 -0.090 0.000 1.175 53 F HN 0.151 nan 8.300 nan 0.000 0.599 54 E N 3.423 123.614 120.200 -0.015 0.000 2.351 54 E HA 0.247 4.596 4.350 -0.001 0.000 0.266 54 E C -2.092 174.456 176.600 -0.086 0.000 1.031 54 E CA -1.712 54.680 56.400 -0.013 0.000 0.911 54 E CB 0.611 30.302 29.700 -0.014 0.000 0.986 54 E HN 0.055 nan 8.360 nan 0.000 0.446 55 P HA 0.165 nan 4.420 nan 0.000 0.281 55 P C -0.986 176.083 177.300 -0.385 0.000 1.249 55 P CA -0.323 62.593 63.100 -0.308 0.000 0.810 55 P CB 0.894 32.408 31.700 -0.310 0.000 1.008 56 E N 1.359 121.221 120.200 -0.562 0.000 2.176 56 E HA 0.479 4.828 4.350 -0.001 0.000 0.267 56 E C -1.470 174.793 176.600 -0.560 0.000 0.893 56 E CA -0.554 55.618 56.400 -0.380 0.000 0.761 56 E CB 0.595 30.154 29.700 -0.235 0.000 1.133 56 E HN 0.215 nan 8.360 nan 0.000 0.409 57 F N 2.031 121.984 119.950 0.005 0.000 2.508 57 F HA 0.715 5.242 4.527 -0.001 0.000 0.325 57 F C 0.162 175.942 175.800 -0.033 0.000 1.090 57 F CA -0.640 57.356 58.000 -0.007 0.000 0.945 57 F CB 2.230 41.243 39.000 0.021 0.000 1.156 57 F HN 0.464 nan 8.300 nan 0.000 0.463 58 A N 1.601 124.509 122.820 0.146 0.000 2.449 58 A HA 0.734 5.054 4.320 -0.001 0.000 0.302 58 A C -1.206 176.397 177.584 0.032 0.000 1.048 58 A CA -0.828 51.246 52.037 0.062 0.000 0.708 58 A CB 1.150 20.165 19.000 0.026 0.000 1.274 58 A HN 0.502 nan 8.150 nan 0.000 0.410 59 V N 2.931 122.848 119.914 0.006 0.000 2.599 59 V HA 0.002 4.122 4.120 -0.001 0.000 0.300 59 V C 0.587 176.680 176.094 -0.002 0.000 1.034 59 V CA 0.498 62.790 62.300 -0.012 0.000 1.115 59 V CB 0.189 32.005 31.823 -0.013 0.000 0.934 59 V HN 0.635 nan 8.190 nan 0.000 0.485 60 I N 5.879 126.447 120.570 -0.003 0.000 2.648 60 I HA 0.090 4.260 4.170 -0.001 0.000 0.284 60 I C 0.796 176.918 176.117 0.007 0.000 1.153 60 I CA -0.204 61.099 61.300 0.006 0.000 1.426 60 I CB 0.228 38.236 38.000 0.013 0.000 1.381 60 I HN 0.490 nan 8.210 nan 0.000 0.571 61 K N 5.034 125.439 120.400 0.007 0.000 2.447 61 K HA 0.150 4.470 4.320 -0.001 0.000 0.281 61 K C 0.955 177.560 176.600 0.009 0.000 1.031 61 K CA 0.728 57.020 56.287 0.007 0.000 1.019 61 K CB 0.405 32.908 32.500 0.007 0.000 0.918 61 K HN 1.022 nan 8.250 nan 0.000 0.476 62 G N 2.886 111.692 108.800 0.010 0.000 2.213 62 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.226 62 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.226 62 G C 0.611 175.521 174.900 0.017 0.000 0.992 62 G CA -0.233 44.874 45.100 0.013 0.000 0.632 62 G HN 0.460 nan 8.290 nan 0.000 0.511 63 K N 0.497 120.907 120.400 0.017 0.000 2.372 63 K HA 0.326 4.645 4.320 -0.001 0.000 0.200 63 K C 1.632 178.245 176.600 0.022 0.000 1.022 63 K CA 0.517 56.818 56.287 0.024 0.000 1.125 63 K CB 0.499 33.012 32.500 0.022 0.000 0.855 63 K HN 0.479 nan 8.250 nan 0.000 0.524 64 E N 1.220 121.428 120.200 0.014 0.000 2.110 64 E HA -0.099 4.250 4.350 -0.001 0.000 0.193 64 E C 1.570 178.175 176.600 0.008 0.000 0.988 64 E CA 1.176 57.580 56.400 0.006 0.000 0.804 64 E CB 0.046 29.747 29.700 0.002 0.000 0.745 64 E HN 0.178 nan 8.360 nan 0.000 0.458 65 K N 0.155 120.566 120.400 0.018 0.000 2.097 65 K HA -0.071 4.248 4.320 -0.001 0.000 0.205 65 K C 2.051 178.673 176.600 0.036 0.000 1.050 65 K CA 0.876 57.174 56.287 0.018 0.000 0.938 65 K CB -0.030 32.487 32.500 0.028 0.000 0.718 65 K HN -0.009 nan 8.250 nan 0.000 0.442 66 V N 0.898 120.858 119.914 0.076 0.000 2.261 66 V HA -0.248 3.871 4.120 -0.001 0.000 0.246 66 V C 2.256 178.404 176.094 0.090 0.000 1.047 66 V CA 1.532 63.926 62.300 0.157 0.000 1.015 66 V CB -0.322 31.597 31.823 0.161 0.000 0.642 66 V HN 0.078 nan 8.190 nan 0.000 0.446 67 V N -0.000 119.938 119.914 0.040 0.000 2.250 67 V HA -0.290 3.829 4.120 -0.001 0.000 0.250 67 V C 2.628 178.700 176.094 -0.037 0.000 1.060 67 V CA 2.222 64.521 62.300 -0.002 0.000 1.030 67 V CB -0.708 31.107 31.823 -0.014 0.000 0.643 67 V HN 0.577 nan 8.190 nan 0.000 0.445 68 E N -0.085 120.090 120.200 -0.040 0.000 2.110 68 E HA -0.239 4.111 4.350 -0.001 0.000 0.193 68 E C 2.161 178.694 176.600 -0.111 0.000 0.988 68 E CA 1.351 57.712 56.400 -0.065 0.000 0.804 68 E CB -0.303 29.367 29.700 -0.050 0.000 0.745 68 E HN 0.501 nan 8.360 nan 0.000 0.458 69 K N 1.311 121.629 120.400 -0.137 0.000 2.057 69 K HA -0.044 4.275 4.320 -0.001 0.000 0.206 69 K C 2.209 178.600 176.600 -0.349 0.000 1.050 69 K CA 0.764 56.887 56.287 -0.273 0.000 0.935 69 K CB -0.522 31.753 32.500 -0.374 0.000 0.715 69 K HN 0.057 nan 8.250 nan 0.000 0.439 70 L N 0.691 121.763 121.223 -0.252 0.000 1.990 70 L HA -0.266 4.073 4.340 -0.001 0.000 0.213 70 L C 2.398 179.163 176.870 -0.175 0.000 1.072 70 L CA 1.862 56.588 54.840 -0.190 0.000 0.755 70 L CB -0.488 41.545 42.059 -0.043 0.000 0.889 70 L HN 0.203 nan 8.230 nan 0.000 0.432 71 K N -0.232 120.088 120.400 -0.134 0.000 2.044 71 K HA -0.264 4.055 4.320 -0.001 0.000 0.210 71 K C 1.790 178.305 176.600 -0.140 0.000 1.049 71 K CA 2.065 58.282 56.287 -0.117 0.000 0.927 71 K CB -0.340 32.106 32.500 -0.090 0.000 0.713 71 K HN 0.242 nan 8.250 nan 0.000 0.443 72 D N 0.879 121.178 120.400 -0.168 0.000 2.106 72 D HA -0.157 4.483 4.640 -0.001 0.000 0.191 72 D C 1.844 177.992 176.300 -0.254 0.000 0.997 72 D CA 1.183 55.072 54.000 -0.185 0.000 0.834 72 D CB -0.049 40.635 40.800 -0.193 0.000 0.956 72 D HN 0.061 nan 8.370 nan 0.000 0.448 73 L N -0.042 120.947 121.223 -0.390 0.000 2.042 73 L HA -0.166 4.173 4.340 -0.001 0.000 0.210 73 L C 2.552 179.188 176.870 -0.390 0.000 1.076 73 L CA 1.215 55.670 54.840 -0.642 0.000 0.749 73 L CB -0.592 40.963 42.059 -0.841 0.000 0.893 73 L HN 0.090 nan 8.230 nan 0.000 0.432 74 A N -0.093 122.596 122.820 -0.218 0.000 2.015 74 A HA -0.170 4.150 4.320 -0.001 0.000 0.219 74 A C 2.272 179.820 177.584 -0.060 0.000 1.163 74 A CA 1.330 53.310 52.037 -0.095 0.000 0.646 74 A CB -0.259 18.696 19.000 -0.075 0.000 0.806 74 A HN 0.348 nan 8.150 nan 0.000 0.448 75 K N -0.415 119.935 120.400 -0.084 0.000 2.228 75 K HA -0.013 4.306 4.320 -0.001 0.000 0.202 75 K C 1.688 178.270 176.600 -0.030 0.000 1.051 75 K CA 1.110 57.366 56.287 -0.053 0.000 0.960 75 K CB -0.016 32.447 32.500 -0.061 0.000 0.743 75 K HN 0.387 nan 8.250 nan 0.000 0.458 76 K N -0.148 120.229 120.400 -0.039 0.000 2.262 76 K HA 0.052 4.371 4.320 -0.001 0.000 0.200 76 K C 0.844 177.537 176.600 0.156 0.000 1.049 76 K CA 0.480 56.791 56.287 0.041 0.000 0.979 76 K CB 0.773 33.288 32.500 0.025 0.000 0.773 76 K HN 0.167 nan 8.250 nan 0.000 0.474 77 G N 0.357 109.280 108.800 0.205 0.000 2.489 77 G HA2 0.107 4.067 3.960 -0.001 0.000 0.305 77 G HA3 0.107 4.067 3.960 -0.001 0.000 0.305 77 G C -1.790 173.221 174.900 0.186 0.000 1.311 77 G CA -0.767 44.456 45.100 0.205 0.000 0.813 77 G HN -0.020 nan 8.290 nan 0.000 0.480 78 E N -0.683 119.597 120.200 0.134 0.000 2.360 78 E HA 0.450 4.800 4.350 -0.001 0.000 0.269 78 E C -0.715 176.002 176.600 0.195 0.000 1.022 78 E CA -0.363 56.108 56.400 0.119 0.000 0.887 78 E CB 1.213 30.958 29.700 0.075 0.000 0.990 78 E HN 0.452 nan 8.360 nan 0.000 0.426 79 L N 6.513 127.828 121.223 0.153 0.000 2.313 79 L HA 0.367 4.707 4.340 -0.001 0.000 0.273 79 L C -1.479 175.469 176.870 0.130 0.000 1.028 79 L CA -0.250 54.691 54.840 0.167 0.000 0.871 79 L CB 0.425 42.532 42.059 0.081 0.000 1.242 79 L HN 0.574 nan 8.230 nan 0.000 0.434 80 L N 5.264 126.577 121.223 0.150 0.000 2.375 80 L HA 0.464 4.804 4.340 -0.001 0.000 0.271 80 L C -0.319 176.613 176.870 0.103 0.000 1.107 80 L CA -0.404 54.503 54.840 0.111 0.000 0.806 80 L CB 1.149 43.271 42.059 0.105 0.000 1.146 80 L HN 0.470 nan 8.230 nan 0.000 0.447 81 I N 2.221 122.838 120.570 0.078 0.000 2.382 81 I HA 0.351 4.521 4.170 -0.001 0.000 0.286 81 I C 0.197 176.358 176.117 0.072 0.000 1.002 81 I CA -0.106 61.236 61.300 0.069 0.000 1.135 81 I CB 1.767 39.795 38.000 0.046 0.000 1.288 81 I HN 0.680 nan 8.210 nan 0.000 0.448 82 A N 4.684 127.564 122.820 0.100 0.000 3.041 82 A HA 0.425 4.745 4.320 -0.001 0.000 0.307 82 A C 0.552 178.222 177.584 0.142 0.000 1.116 82 A CA -0.450 51.704 52.037 0.194 0.000 1.001 82 A CB -0.254 18.902 19.000 0.261 0.000 1.112 82 A HN 0.688 nan 8.150 nan 0.000 0.556 83 S N -0.012 115.694 115.700 0.009 0.000 2.589 83 S HA 0.268 4.738 4.470 -0.001 0.000 0.265 83 S C -0.212 174.277 174.600 -0.185 0.000 1.342 83 S CA -0.604 57.571 58.200 -0.042 0.000 1.005 83 S CB 0.528 63.697 63.200 -0.052 0.000 0.909 83 S HN 0.429 nan 8.310 nan 0.000 0.555 84 D N 1.042 121.347 120.400 -0.159 0.000 2.419 84 D HA 0.030 4.670 4.640 -0.001 0.000 0.236 84 D C 1.257 177.280 176.300 -0.461 0.000 1.165 84 D CA 0.165 53.935 54.000 -0.383 0.000 0.882 84 D CB 0.249 40.921 40.800 -0.213 0.000 1.201 84 D HN 0.779 nan 8.370 nan 0.000 0.443 85 M N -0.535 118.634 119.600 -0.719 0.000 2.659 85 M HA 0.011 4.490 4.480 -0.001 0.000 0.243 85 M C 0.121 176.310 176.300 -0.185 0.000 1.111 85 M CA 0.027 55.042 55.300 -0.475 0.000 1.070 85 M CB -0.104 32.163 32.600 -0.556 0.000 1.525 85 M HN 0.124 nan 8.290 nan 0.000 0.517 86 D N 1.524 121.906 120.400 -0.030 0.000 2.433 86 D HA 0.024 4.663 4.640 -0.001 0.000 0.255 86 D C 1.244 177.570 176.300 0.045 0.000 1.226 86 D CA -0.360 53.715 54.000 0.126 0.000 1.015 86 D CB 0.424 41.357 40.800 0.222 0.000 1.091 86 D HN 0.448 nan 8.370 nan 0.000 0.527 87 R N -0.423 120.103 120.500 0.043 0.000 2.120 87 R HA -0.155 4.184 4.340 -0.001 0.000 0.234 87 R C 1.867 178.171 176.300 0.007 0.000 1.123 87 R CA 1.403 57.503 56.100 0.001 0.000 0.975 87 R CB -0.550 29.736 30.300 -0.022 0.000 0.866 87 R HN 0.664 nan 8.270 nan 0.000 0.446 88 E N 0.994 121.217 120.200 0.038 0.000 2.058 88 E HA -0.157 4.193 4.350 -0.001 0.000 0.194 88 E C 2.080 178.712 176.600 0.053 0.000 0.997 88 E CA 1.524 57.968 56.400 0.074 0.000 0.801 88 E CB -0.382 29.383 29.700 0.109 0.000 0.746 88 E HN 0.541 nan 8.360 nan 0.000 0.450 89 G N 0.603 109.415 108.800 0.020 0.000 2.442 89 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.219 89 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.219 89 G C 1.496 176.376 174.900 -0.033 0.000 1.141 89 G CA 1.031 46.114 45.100 -0.028 0.000 0.763 89 G HN 0.306 nan 8.290 nan 0.000 0.554 90 E N 0.687 120.867 120.200 -0.033 0.000 2.077 90 E HA 0.050 4.400 4.350 -0.001 0.000 0.193 90 E C 2.736 179.337 176.600 0.002 0.000 0.989 90 E CA 1.320 57.700 56.400 -0.033 0.000 0.800 90 E CB -0.454 29.213 29.700 -0.055 0.000 0.746 90 E HN 0.303 nan 8.360 nan 0.000 0.452 91 A N 0.400 123.223 122.820 0.005 0.000 1.898 91 A HA -0.139 4.180 4.320 -0.001 0.000 0.216 91 A C 2.297 179.936 177.584 0.092 0.000 1.181 91 A CA 1.395 53.455 52.037 0.038 0.000 0.620 91 A CB -0.714 18.325 19.000 0.064 0.000 0.819 91 A HN 0.330 nan 8.150 nan 0.000 0.442 92 I N -0.116 120.515 120.570 0.102 0.000 2.151 92 I HA -0.350 3.819 4.170 -0.001 0.000 0.243 92 I C 2.971 179.124 176.117 0.059 0.000 1.080 92 I CA 1.243 62.590 61.300 0.078 0.000 1.339 92 I CB -0.330 37.628 38.000 -0.070 0.000 1.039 92 I HN 0.379 nan 8.210 nan 0.000 0.409 93 A N -0.100 122.742 122.820 0.037 0.000 1.902 93 A HA -0.272 4.047 4.320 -0.001 0.000 0.217 93 A C 2.086 179.706 177.584 0.059 0.000 1.181 93 A CA 1.565 53.623 52.037 0.036 0.000 0.623 93 A CB -1.172 17.840 19.000 0.020 0.000 0.818 93 A HN 0.667 nan 8.150 nan 0.000 0.443 94 W N 0.652 121.859 121.300 -0.154 0.000 2.358 94 W HA -0.198 4.462 4.660 -0.001 0.000 0.303 94 W C 2.230 178.618 176.519 -0.218 0.000 1.208 94 W CA 2.059 59.278 57.345 -0.210 0.000 1.274 94 W CB -0.505 28.775 29.460 -0.300 0.000 1.138 94 W HN 0.516 nan 8.180 nan 0.000 0.515 95 H N 0.048 118.963 119.070 -0.258 0.000 2.319 95 H HA -0.190 4.366 4.556 -0.001 0.000 0.299 95 H C 2.246 177.385 175.328 -0.314 0.000 1.092 95 H CA 2.381 58.163 56.048 -0.444 0.000 1.302 95 H CB -0.938 28.673 29.762 -0.252 0.000 1.373 95 H HN 0.257 nan 8.280 nan 0.000 0.497 96 I N 0.543 121.082 120.570 -0.052 0.000 2.179 96 I HA -0.223 3.946 4.170 -0.001 0.000 0.242 96 I C 2.856 178.922 176.117 -0.086 0.000 1.088 96 I CA 1.025 62.298 61.300 -0.045 0.000 1.357 96 I CB -0.356 37.647 38.000 0.005 0.000 1.051 96 I HN 0.148 nan 8.210 nan 0.000 0.409 97 A N 0.784 123.544 122.820 -0.101 0.000 1.908 97 A HA -0.209 4.111 4.320 -0.001 0.000 0.218 97 A C 2.434 179.919 177.584 -0.165 0.000 1.181 97 A CA 1.571 53.548 52.037 -0.099 0.000 0.627 97 A CB -0.567 18.399 19.000 -0.056 0.000 0.818 97 A HN 0.306 nan 8.150 nan 0.000 0.445 98 R N -0.487 119.827 120.500 -0.311 0.000 2.066 98 R HA -0.109 4.230 4.340 -0.001 0.000 0.232 98 R C 2.211 178.381 176.300 -0.217 0.000 1.131 98 R CA 1.700 57.597 56.100 -0.339 0.000 0.955 98 R CB -0.720 29.202 30.300 -0.629 0.000 0.851 98 R HN 0.597 nan 8.270 nan 0.000 0.432 99 V N -0.640 119.157 119.914 -0.195 0.000 2.594 99 V HA -0.153 3.966 4.120 -0.001 0.000 0.253 99 V C 2.040 178.075 176.094 -0.097 0.000 1.069 99 V CA 2.185 64.408 62.300 -0.129 0.000 1.082 99 V CB -0.988 30.772 31.823 -0.105 0.000 0.680 99 V HN 0.408 nan 8.190 nan 0.000 0.469 100 T N -3.585 110.913 114.554 -0.093 0.000 3.081 100 T HA 0.138 4.488 4.350 -0.001 0.000 0.250 100 T C 1.045 175.707 174.700 -0.063 0.000 1.100 100 T CA 0.473 62.529 62.100 -0.073 0.000 1.038 100 T CB -0.677 68.154 68.868 -0.062 0.000 0.962 100 T HN 0.594 nan 8.240 nan 0.000 0.516 101 N N 1.402 120.059 118.700 -0.072 0.000 2.756 101 N HA -0.157 4.583 4.740 -0.001 0.000 0.248 101 N C 0.424 175.911 175.510 -0.039 0.000 1.062 101 N CA 1.155 54.172 53.050 -0.056 0.000 0.696 101 N CB -1.564 36.896 38.487 -0.044 0.000 0.946 101 N HN 0.783 nan 8.380 nan 0.000 0.548 102 T N -3.457 111.073 114.554 -0.040 0.000 3.200 102 T HA 0.287 4.636 4.350 -0.001 0.000 0.284 102 T C 0.381 175.076 174.700 -0.008 0.000 1.009 102 T CA -0.520 61.569 62.100 -0.018 0.000 0.907 102 T CB 0.101 68.962 68.868 -0.011 0.000 1.120 102 T HN 0.187 nan 8.240 nan 0.000 0.534 103 L N 2.522 123.735 121.223 -0.015 0.000 2.499 103 L HA 0.552 4.892 4.340 -0.001 0.000 0.273 103 L C 1.341 178.228 176.870 0.029 0.000 1.195 103 L CA 1.877 56.727 54.840 0.017 0.000 0.882 103 L CB -0.143 41.932 42.059 0.028 0.000 1.133 103 L HN 0.603 nan 8.230 nan 0.000 0.483 104 G N 3.549 112.371 108.800 0.038 0.000 2.213 104 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.226 104 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.226 104 G C 0.649 175.562 174.900 0.022 0.000 0.992 104 G CA 0.113 45.231 45.100 0.029 0.000 0.632 104 G HN 0.634 nan 8.290 nan 0.000 0.511 105 R N 0.479 120.991 120.500 0.020 0.000 2.615 105 R HA 0.444 4.783 4.340 -0.001 0.000 0.270 105 R C 0.015 176.329 176.300 0.022 0.000 1.081 105 R CA -0.231 55.881 56.100 0.020 0.000 1.154 105 R CB 0.482 30.794 30.300 0.019 0.000 1.063 105 R HN 0.135 nan 8.270 nan 0.000 0.519 106 K N 2.862 123.276 120.400 0.022 0.000 2.171 106 K HA 0.020 4.340 4.320 -0.001 0.000 0.274 106 K C 0.193 176.812 176.600 0.031 0.000 1.110 106 K CA -0.010 56.291 56.287 0.023 0.000 0.952 106 K CB 0.089 32.602 32.500 0.021 0.000 1.309 106 K HN 0.539 nan 8.250 nan 0.000 0.414 107 N N 1.491 120.210 118.700 0.032 0.000 2.167 107 N HA -0.016 4.724 4.740 -0.001 0.000 0.234 107 N C -0.461 175.074 175.510 0.041 0.000 1.312 107 N CA -0.458 52.617 53.050 0.042 0.000 0.861 107 N CB 0.601 39.113 38.487 0.042 0.000 1.217 107 N HN 0.126 nan 8.380 nan 0.000 0.504 108 R N 1.160 121.677 120.500 0.029 0.000 2.437 108 R HA 0.480 4.820 4.340 -0.001 0.000 0.310 108 R C -1.161 175.149 176.300 0.017 0.000 0.955 108 R CA -0.545 55.566 56.100 0.019 0.000 0.851 108 R CB 0.782 31.084 30.300 0.003 0.000 1.161 108 R HN 0.150 nan 8.270 nan 0.000 0.446 109 I N 4.225 124.816 120.570 0.036 0.000 2.353 109 I HA 0.258 4.428 4.170 -0.001 0.000 0.293 109 I C -0.250 175.879 176.117 0.021 0.000 0.992 109 I CA -0.771 60.575 61.300 0.078 0.000 1.268 109 I CB 1.965 40.047 38.000 0.137 0.000 1.387 109 I HN 0.174 nan 8.210 nan 0.000 0.478 110 V N 7.674 127.596 119.914 0.012 0.000 2.448 110 V HA 0.574 4.694 4.120 -0.001 0.000 0.295 110 V C -0.655 175.426 176.094 -0.021 0.000 1.025 110 V CA -0.538 61.672 62.300 -0.151 0.000 0.859 110 V CB 1.157 32.907 31.823 -0.122 0.000 0.988 110 V HN 0.596 nan 8.190 nan 0.000 0.431 111 F N 1.550 121.438 119.950 -0.103 0.000 2.678 111 F HA 0.598 5.124 4.527 -0.001 0.000 0.308 111 F C 0.288 176.039 175.800 -0.081 0.000 1.118 111 F CA -0.797 57.155 58.000 -0.079 0.000 0.959 111 F CB 1.511 40.474 39.000 -0.062 0.000 1.305 111 F HN 0.104 nan 8.300 nan 0.000 0.443 112 S N -0.272 115.530 115.700 0.170 0.000 2.540 112 S HA 0.179 4.648 4.470 -0.001 0.000 0.218 112 S C -0.456 174.363 174.600 0.365 0.000 0.977 112 S CA 0.230 58.531 58.200 0.169 0.000 0.918 112 S CB -0.368 62.893 63.200 0.102 0.000 0.806 112 S HN 0.732 nan 8.310 nan 0.000 0.496 113 E N 0.125 120.573 120.200 0.413 0.000 2.390 113 E HA 0.357 4.707 4.350 -0.001 0.000 0.280 113 E C -1.389 175.271 176.600 0.101 0.000 0.992 113 E CA -0.810 55.778 56.400 0.314 0.000 0.790 113 E CB 0.773 30.578 29.700 0.174 0.000 1.248 113 E HN 0.062 nan 8.360 nan 0.000 0.447 114 I N 2.233 122.758 120.570 -0.075 0.000 2.682 114 I HA 0.190 4.359 4.170 -0.001 0.000 0.302 114 I C -0.105 175.878 176.117 -0.223 0.000 1.180 114 I CA -0.344 60.778 61.300 -0.297 0.000 1.146 114 I CB 0.007 37.776 38.000 -0.386 0.000 1.756 114 I HN 0.564 nan 8.210 nan 0.000 0.559 115 T N -1.046 113.395 114.554 -0.189 0.000 2.940 115 T HA 0.449 4.798 4.350 -0.001 0.000 0.288 115 T C -2.044 172.553 174.700 -0.172 0.000 1.033 115 T CA -2.069 59.936 62.100 -0.159 0.000 1.033 115 T CB 2.401 71.200 68.868 -0.114 0.000 1.079 115 T HN -0.102 nan 8.240 nan 0.000 0.496 116 P HA -0.178 nan 4.420 nan 0.000 0.215 116 P C 1.696 178.915 177.300 -0.135 0.000 1.163 116 P CA 1.179 64.200 63.100 -0.133 0.000 0.894 116 P CB 0.054 31.692 31.700 -0.103 0.000 0.791 117 R N -0.216 120.201 120.500 -0.139 0.000 2.080 117 R HA -0.136 4.204 4.340 -0.001 0.000 0.236 117 R C 1.951 178.156 176.300 -0.158 0.000 1.137 117 R CA 2.004 58.008 56.100 -0.160 0.000 0.943 117 R CB -0.932 29.224 30.300 -0.242 0.000 0.846 117 R HN 0.026 nan 8.270 nan 0.000 0.431 118 V N 1.168 120.984 119.914 -0.163 0.000 2.323 118 V HA -0.219 3.900 4.120 -0.001 0.000 0.244 118 V C 2.405 178.416 176.094 -0.139 0.000 1.041 118 V CA 1.261 63.485 62.300 -0.127 0.000 1.025 118 V CB -0.366 31.406 31.823 -0.086 0.000 0.656 118 V HN 0.322 nan 8.190 nan 0.000 0.451 119 I N 0.069 120.512 120.570 -0.212 0.000 2.252 119 I HA -0.147 4.022 4.170 -0.001 0.000 0.245 119 I C 2.631 178.623 176.117 -0.209 0.000 1.102 119 I CA 1.480 62.613 61.300 -0.279 0.000 1.385 119 I CB -1.202 36.578 38.000 -0.367 0.000 1.064 119 I HN 0.306 nan 8.210 nan 0.000 0.414 120 R N 0.351 120.751 120.500 -0.166 0.000 2.105 120 R HA -0.217 4.122 4.340 -0.001 0.000 0.239 120 R C 2.155 178.403 176.300 -0.086 0.000 1.135 120 R CA 1.585 57.612 56.100 -0.121 0.000 0.967 120 R CB -0.209 30.038 30.300 -0.087 0.000 0.861 120 R HN 0.453 nan 8.270 nan 0.000 0.442 121 E N 0.197 120.349 120.200 -0.079 0.000 2.076 121 E HA -0.083 4.266 4.350 -0.001 0.000 0.190 121 E C 1.916 178.494 176.600 -0.037 0.000 0.979 121 E CA 0.783 57.154 56.400 -0.049 0.000 0.807 121 E CB 0.042 29.714 29.700 -0.047 0.000 0.761 121 E HN 0.334 nan 8.360 nan 0.000 0.454 122 A N 0.888 123.681 122.820 -0.045 0.000 1.902 122 A HA -0.156 4.164 4.320 -0.001 0.000 0.217 122 A C 2.397 179.969 177.584 -0.019 0.000 1.181 122 A CA 1.692 53.727 52.037 -0.003 0.000 0.623 122 A CB -0.944 18.090 19.000 0.056 0.000 0.818 122 A HN 0.333 nan 8.150 nan 0.000 0.443 123 V N -3.124 116.740 119.914 -0.085 0.000 2.759 123 V HA -0.068 4.051 4.120 -0.001 0.000 0.256 123 V C 1.554 177.645 176.094 -0.006 0.000 1.080 123 V CA 1.975 64.217 62.300 -0.098 0.000 1.101 123 V CB -0.614 31.021 31.823 -0.313 0.000 0.698 123 V HN 0.316 nan 8.190 nan 0.000 0.477 124 K N 1.242 121.644 120.400 0.003 0.000 2.426 124 K HA 0.166 4.486 4.320 -0.001 0.000 0.193 124 K C 0.202 176.815 176.600 0.022 0.000 1.028 124 K CA 0.488 56.792 56.287 0.029 0.000 1.047 124 K CB -0.275 32.238 32.500 0.021 0.000 0.821 124 K HN 0.672 nan 8.250 nan 0.000 0.513 125 N N 1.522 120.231 118.700 0.016 0.000 2.644 125 N HA 0.119 4.858 4.740 -0.001 0.000 0.313 125 N C -2.680 172.842 175.510 0.020 0.000 1.863 125 N CA -0.939 52.121 53.050 0.016 0.000 0.918 125 N CB 1.124 39.617 38.487 0.011 0.000 1.320 125 N HN 0.030 nan 8.380 nan 0.000 0.490 126 P HA 0.122 nan 4.420 nan 0.000 0.272 126 P C -0.529 176.782 177.300 0.019 0.000 1.230 126 P CA -0.081 63.035 63.100 0.027 0.000 0.788 126 P CB 1.148 32.871 31.700 0.037 0.000 0.949 127 R N -0.595 119.913 120.500 0.013 0.000 2.930 127 R HA 0.515 4.854 4.340 -0.001 0.000 0.257 127 R C -0.310 175.996 176.300 0.010 0.000 1.107 127 R CA -1.048 55.057 56.100 0.008 0.000 0.999 127 R CB 1.003 31.302 30.300 -0.002 0.000 1.209 127 R HN 0.392 nan 8.270 nan 0.000 0.486 128 E N 1.117 121.323 120.200 0.009 0.000 2.383 128 E HA 0.100 4.449 4.350 -0.001 0.000 0.264 128 E C -0.449 176.156 176.600 0.008 0.000 1.050 128 E CA -0.545 55.862 56.400 0.013 0.000 0.896 128 E CB 0.687 30.394 29.700 0.012 0.000 0.982 128 E HN 0.410 nan 8.360 nan 0.000 0.424 129 I N 3.071 123.654 120.570 0.021 0.000 2.710 129 I HA -0.093 4.076 4.170 -0.001 0.000 0.286 129 I C 0.399 176.513 176.117 -0.005 0.000 1.181 129 I CA 0.372 61.684 61.300 0.020 0.000 1.430 129 I CB 0.381 38.424 38.000 0.072 0.000 1.367 129 I HN 0.537 nan 8.210 nan 0.000 0.577 130 D N 7.624 128.005 120.400 -0.032 0.000 2.441 130 D HA 0.101 4.741 4.640 -0.001 0.000 0.221 130 D C 0.860 177.102 176.300 -0.097 0.000 1.156 130 D CA -0.317 53.651 54.000 -0.052 0.000 0.896 130 D CB 0.827 41.599 40.800 -0.048 0.000 1.028 130 D HN 0.329 nan 8.370 nan 0.000 0.509 131 M N 2.696 122.231 119.600 -0.109 0.000 2.358 131 M HA -0.101 4.378 4.480 -0.001 0.000 0.264 131 M C 1.556 177.746 176.300 -0.183 0.000 1.064 131 M CA 1.033 56.221 55.300 -0.186 0.000 1.093 131 M CB -0.434 32.081 32.600 -0.143 0.000 1.401 131 M HN 0.357 nan 8.290 nan 0.000 0.440 132 K N 0.207 120.534 120.400 -0.121 0.000 2.002 132 K HA -0.158 4.162 4.320 -0.001 0.000 0.209 132 K C 2.132 178.660 176.600 -0.119 0.000 1.048 132 K CA 1.248 57.471 56.287 -0.107 0.000 0.930 132 K CB -0.137 32.320 32.500 -0.071 0.000 0.714 132 K HN 0.199 nan 8.250 nan 0.000 0.438 133 K N 0.814 121.149 120.400 -0.107 0.000 2.032 133 K HA -0.141 4.179 4.320 -0.001 0.000 0.209 133 K C 2.026 178.536 176.600 -0.151 0.000 1.048 133 K CA 1.225 57.452 56.287 -0.101 0.000 0.927 133 K CB -0.079 32.378 32.500 -0.071 0.000 0.712 133 K HN -0.073 nan 8.250 nan 0.000 0.441 134 V N 1.090 120.870 119.914 -0.223 0.000 2.287 134 V HA -0.290 3.829 4.120 -0.001 0.000 0.248 134 V C 2.205 178.086 176.094 -0.355 0.000 1.053 134 V CA 1.890 63.975 62.300 -0.358 0.000 1.027 134 V CB -0.465 30.968 31.823 -0.650 0.000 0.646 134 V HN 0.321 nan 8.190 nan 0.000 0.447 135 R N -0.105 120.208 120.500 -0.311 0.000 2.120 135 R HA -0.092 4.247 4.340 -0.001 0.000 0.234 135 R C 2.409 178.606 176.300 -0.172 0.000 1.123 135 R CA 1.281 57.236 56.100 -0.242 0.000 0.975 135 R CB -0.546 29.640 30.300 -0.189 0.000 0.866 135 R HN 0.560 nan 8.270 nan 0.000 0.446 136 A N 0.974 123.704 122.820 -0.149 0.000 1.877 136 A HA -0.264 4.056 4.320 -0.001 0.000 0.216 136 A C 2.124 179.640 177.584 -0.114 0.000 1.186 136 A CA 1.554 53.518 52.037 -0.120 0.000 0.620 136 A CB -0.426 18.513 19.000 -0.101 0.000 0.822 136 A HN 0.223 nan 8.150 nan 0.000 0.443 137 Q N 0.095 119.828 119.800 -0.110 0.000 2.016 137 Q HA -0.063 4.276 4.340 -0.001 0.000 0.200 137 Q C 1.882 177.844 176.000 -0.064 0.000 0.978 137 Q CA 1.825 57.583 55.803 -0.075 0.000 0.833 137 Q CB -0.531 28.176 28.738 -0.052 0.000 0.895 137 Q HN 0.635 nan 8.270 nan 0.000 0.427 138 L N -0.102 121.067 121.223 -0.089 0.000 2.083 138 L HA -0.158 4.182 4.340 -0.001 0.000 0.209 138 L C 2.439 179.260 176.870 -0.081 0.000 1.083 138 L CA 1.092 55.904 54.840 -0.046 0.000 0.752 138 L CB -0.894 41.122 42.059 -0.072 0.000 0.899 138 L HN 0.336 nan 8.230 nan 0.000 0.433 139 A N 0.404 123.152 122.820 -0.121 0.000 1.902 139 A HA -0.252 4.067 4.320 -0.001 0.000 0.217 139 A C 2.347 179.827 177.584 -0.173 0.000 1.181 139 A CA 1.813 53.755 52.037 -0.157 0.000 0.623 139 A CB -0.487 18.413 19.000 -0.166 0.000 0.818 139 A HN 0.319 nan 8.150 nan 0.000 0.443 140 R N -0.044 120.370 120.500 -0.143 0.000 2.091 140 R HA -0.118 4.221 4.340 -0.001 0.000 0.238 140 R C 2.087 178.311 176.300 -0.126 0.000 1.136 140 R CA 1.812 57.828 56.100 -0.140 0.000 0.959 140 R CB -0.492 29.744 30.300 -0.105 0.000 0.856 140 R HN 0.389 nan 8.270 nan 0.000 0.437 141 R N 0.261 120.708 120.500 -0.088 0.000 2.075 141 R HA -0.023 4.317 4.340 -0.001 0.000 0.232 141 R C 2.403 178.632 176.300 -0.118 0.000 1.126 141 R CA 1.665 57.723 56.100 -0.070 0.000 0.963 141 R CB -0.747 29.547 30.300 -0.011 0.000 0.858 141 R HN 0.374 nan 8.270 nan 0.000 0.435 142 I N 0.817 121.300 120.570 -0.144 0.000 2.202 142 I HA -0.272 3.898 4.170 -0.001 0.000 0.242 142 I C 2.326 178.338 176.117 -0.175 0.000 1.091 142 I CA 1.066 62.261 61.300 -0.174 0.000 1.368 142 I CB -0.329 37.574 38.000 -0.162 0.000 1.058 142 I HN 0.038 nan 8.210 nan 0.000 0.410 143 L N 0.344 121.414 121.223 -0.254 0.000 2.013 143 L HA -0.293 4.046 4.340 -0.001 0.000 0.212 143 L C 2.157 178.868 176.870 -0.265 0.000 1.073 143 L CA 1.489 56.090 54.840 -0.398 0.000 0.753 143 L CB -0.752 40.982 42.059 -0.542 0.000 0.890 143 L HN 0.271 nan 8.230 nan 0.000 0.432 144 D N -0.756 119.540 120.400 -0.174 0.000 2.144 144 D HA -0.174 4.465 4.640 -0.001 0.000 0.200 144 D C 2.257 178.550 176.300 -0.012 0.000 0.978 144 D CA 0.849 54.797 54.000 -0.086 0.000 0.833 144 D CB -0.093 40.672 40.800 -0.059 0.000 0.961 144 D HN 0.081 nan 8.370 nan 0.000 0.470 145 R N 0.770 121.251 120.500 -0.031 0.000 2.075 145 R HA 0.033 4.372 4.340 -0.001 0.000 0.232 145 R C 2.206 178.616 176.300 0.182 0.000 1.126 145 R CA 0.838 56.942 56.100 0.006 0.000 0.963 145 R CB -0.701 29.479 30.300 -0.200 0.000 0.858 145 R HN 0.158 nan 8.270 nan 0.000 0.435 146 I N -0.299 120.363 120.570 0.153 0.000 2.163 146 I HA -0.290 3.880 4.170 -0.001 0.000 0.243 146 I C 2.060 178.121 176.117 -0.093 0.000 1.085 146 I CA 1.359 62.752 61.300 0.156 0.000 1.347 146 I CB -0.315 37.782 38.000 0.161 0.000 1.044 146 I HN 0.005 nan 8.210 nan 0.000 0.408 147 V N 0.928 120.761 119.914 -0.135 0.000 2.270 147 V HA -0.195 3.924 4.120 -0.001 0.000 0.245 147 V C 2.597 178.710 176.094 0.032 0.000 1.043 147 V CA 2.224 64.440 62.300 -0.139 0.000 1.014 147 V CB -1.412 30.378 31.823 -0.054 0.000 0.645 147 V HN 0.566 nan 8.190 nan 0.000 0.447 148 G N -1.404 107.464 108.800 0.112 0.000 2.459 148 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.217 148 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.217 148 G C 1.444 176.480 174.900 0.226 0.000 1.183 148 G CA 1.050 46.261 45.100 0.185 0.000 0.776 148 G HN 0.508 nan 8.290 nan 0.000 0.552 149 Y N 1.299 121.626 120.300 0.045 0.000 2.509 149 Y HA 0.086 4.636 4.550 -0.001 0.000 0.293 149 Y C 3.146 179.029 175.900 -0.028 0.000 1.133 149 Y CA 0.705 58.821 58.100 0.027 0.000 1.283 149 Y CB 0.016 38.513 38.460 0.061 0.000 1.001 149 Y HN 0.168 nan 8.280 nan 0.000 0.555 150 S N -0.529 115.201 115.700 0.050 0.000 2.371 150 S HA -0.012 4.457 4.470 -0.001 0.000 0.221 150 S C 1.961 176.656 174.600 0.159 0.000 1.036 150 S CA 0.855 58.974 58.200 -0.135 0.000 0.965 150 S CB -0.249 62.647 63.200 -0.508 0.000 0.845 150 S HN 0.317 nan 8.310 nan 0.000 0.475 151 L N 0.832 122.156 121.223 0.168 0.000 2.249 151 L HA 0.103 4.442 4.340 -0.001 0.000 0.207 151 L C 2.293 179.285 176.870 0.204 0.000 1.090 151 L CA 0.554 55.532 54.840 0.230 0.000 0.802 151 L CB -0.521 41.621 42.059 0.139 0.000 0.947 151 L HN 0.224 nan 8.230 nan 0.000 0.453 152 S N 0.348 116.137 115.700 0.148 0.000 2.399 152 S HA -0.055 4.415 4.470 -0.001 0.000 0.231 152 S C -0.674 174.020 174.600 0.158 0.000 1.022 152 S CA 1.123 59.403 58.200 0.134 0.000 0.983 152 S CB -0.890 62.337 63.200 0.045 0.000 0.803 152 S HN 0.315 nan 8.310 nan 0.000 0.480 153 P HA 0.037 nan 4.420 nan 0.000 0.216 153 P C 1.512 178.926 177.300 0.190 0.000 1.153 153 P CA 0.601 63.802 63.100 0.168 0.000 0.844 153 P CB -0.136 31.643 31.700 0.133 0.000 0.787 154 V N -0.249 119.778 119.914 0.187 0.000 2.407 154 V HA -0.192 3.928 4.120 -0.001 0.000 0.248 154 V C 2.402 178.480 176.094 -0.026 0.000 1.055 154 V CA 1.545 63.911 62.300 0.109 0.000 1.049 154 V CB -1.175 30.789 31.823 0.235 0.000 0.662 154 V HN 0.073 nan 8.190 nan 0.000 0.455 155 L N -1.436 119.845 121.223 0.097 0.000 2.240 155 L HA -0.116 4.223 4.340 -0.001 0.000 0.211 155 L C 2.305 179.262 176.870 0.144 0.000 1.106 155 L CA 1.313 56.235 54.840 0.136 0.000 0.793 155 L CB -0.406 41.818 42.059 0.275 0.000 0.927 155 L HN 0.544 nan 8.230 nan 0.000 0.446 156 W N 1.548 122.846 121.300 -0.003 0.000 2.407 156 W HA -0.224 4.436 4.660 -0.001 0.000 0.305 156 W C 2.675 179.165 176.519 -0.048 0.000 1.196 156 W CA 1.088 58.435 57.345 0.003 0.000 1.311 156 W CB 0.060 29.527 29.460 0.012 0.000 1.135 156 W HN 0.094 nan 8.180 nan 0.000 0.514 157 R N 1.076 121.548 120.500 -0.047 0.000 2.083 157 R HA -0.201 4.138 4.340 -0.001 0.000 0.237 157 R C 1.714 177.809 176.300 -0.342 0.000 1.137 157 R CA 2.626 58.625 56.100 -0.168 0.000 0.951 157 R CB -1.167 29.087 30.300 -0.076 0.000 0.851 157 R HN 0.266 nan 8.270 nan 0.000 0.434 158 N N -2.030 116.333 118.700 -0.562 0.000 2.336 158 N HA 0.047 4.786 4.740 -0.001 0.000 0.177 158 N C 0.204 175.027 175.510 -1.146 0.000 1.018 158 N CA 0.958 53.425 53.050 -0.972 0.000 0.878 158 N CB 0.252 37.773 38.487 -1.610 0.000 0.997 158 N HN 0.188 nan 8.380 nan 0.000 0.433 159 F N 0.242 119.925 119.950 -0.445 0.000 2.775 159 F HA 0.399 4.925 4.527 -0.001 0.000 0.313 159 F C -0.317 175.195 175.800 -0.480 0.000 1.121 159 F CA -0.646 56.924 58.000 -0.716 0.000 1.206 159 F CB 0.363 39.123 39.000 -0.401 0.000 1.052 159 F HN -0.353 nan 8.300 nan 0.000 0.524 160 K N 2.015 122.195 120.400 -0.366 0.000 3.540 160 K HA -0.191 4.128 4.320 -0.001 0.000 0.274 160 K C -0.312 176.311 176.600 0.039 0.000 0.890 160 K CA 0.768 56.656 56.287 -0.666 0.000 0.701 160 K CB -1.695 30.475 32.500 -0.550 0.000 1.523 160 K HN 0.494 nan 8.250 nan 0.000 0.450 161 S N -0.217 115.702 115.700 0.365 0.000 2.790 161 S HA 0.674 5.143 4.470 -0.001 0.000 0.292 161 S C -1.102 173.793 174.600 0.492 0.000 1.197 161 S CA -1.129 57.381 58.200 0.518 0.000 0.851 161 S CB 1.820 65.299 63.200 0.466 0.000 1.217 161 S HN 0.409 nan 8.310 nan 0.000 0.526 162 N N -0.726 118.225 118.700 0.419 0.000 2.598 162 N HA 0.411 5.151 4.740 -0.001 0.000 0.263 162 N C -2.104 173.582 175.510 0.295 0.000 1.254 162 N CA -0.705 52.521 53.050 0.294 0.000 0.863 162 N CB 1.395 39.991 38.487 0.181 0.000 1.586 162 N HN 0.615 nan 8.380 nan 0.000 0.491 163 L N 1.988 123.337 121.223 0.211 0.000 2.599 163 L HA 0.356 4.696 4.340 -0.001 0.000 0.241 163 L C 1.335 178.286 176.870 0.134 0.000 1.207 163 L CA -0.058 54.897 54.840 0.192 0.000 0.987 163 L CB -0.067 42.084 42.059 0.154 0.000 1.318 163 L HN 0.815 nan 8.230 nan 0.000 0.458 164 S N 1.604 117.373 115.700 0.115 0.000 2.344 164 S HA -0.091 4.379 4.470 -0.001 0.000 0.217 164 S C 1.590 176.231 174.600 0.069 0.000 1.033 164 S CA 0.724 58.973 58.200 0.082 0.000 1.017 164 S CB -0.473 62.759 63.200 0.053 0.000 0.941 164 S HN 0.582 nan 8.310 nan 0.000 0.430 165 A N 2.095 124.950 122.820 0.059 0.000 2.223 165 A HA 0.531 4.851 4.320 -0.001 0.000 0.222 165 A C 1.518 179.120 177.584 0.029 0.000 1.317 165 A CA 0.579 52.637 52.037 0.035 0.000 0.985 165 A CB -1.981 17.035 19.000 0.027 0.000 0.858 165 A HN 1.472 nan 8.150 nan 0.000 0.496 166 G N 0.263 109.086 108.800 0.039 0.000 2.594 166 G HA2 -0.395 3.564 3.960 -0.001 0.000 0.297 166 G HA3 -0.395 3.564 3.960 -0.001 0.000 0.297 166 G C 0.957 175.879 174.900 0.037 0.000 1.273 166 G CA 0.732 45.848 45.100 0.026 0.000 0.974 166 G HN 0.576 nan 8.290 nan 0.000 0.552 167 R N -0.632 119.880 120.500 0.020 0.000 2.148 167 R HA 0.163 4.503 4.340 -0.001 0.000 0.223 167 R C 2.720 179.043 176.300 0.037 0.000 1.088 167 R CA 1.155 57.283 56.100 0.047 0.000 0.985 167 R CB -0.345 29.994 30.300 0.064 0.000 0.880 167 R HN 0.312 nan 8.270 nan 0.000 0.451 168 V N 1.196 121.118 119.914 0.013 0.000 2.427 168 V HA -0.264 3.856 4.120 -0.001 0.000 0.248 168 V C 2.518 178.628 176.094 0.027 0.000 1.051 168 V CA 1.870 64.176 62.300 0.009 0.000 1.048 168 V CB -0.507 31.303 31.823 -0.020 0.000 0.666 168 V HN 0.416 nan 8.190 nan 0.000 0.456 169 Q N 0.988 120.812 119.800 0.040 0.000 2.020 169 Q HA -0.227 4.113 4.340 -0.001 0.000 0.202 169 Q C 2.406 178.452 176.000 0.076 0.000 0.982 169 Q CA 2.670 58.513 55.803 0.068 0.000 0.838 169 Q CB -0.276 28.517 28.738 0.091 0.000 0.899 169 Q HN 0.735 nan 8.270 nan 0.000 0.423 170 S N 0.372 116.114 115.700 0.070 0.000 2.382 170 S HA -0.063 4.407 4.470 -0.001 0.000 0.228 170 S C 2.150 176.774 174.600 0.039 0.000 1.027 170 S CA 0.985 59.217 58.200 0.052 0.000 0.991 170 S CB -0.541 62.691 63.200 0.053 0.000 0.823 170 S HN 0.525 nan 8.310 nan 0.000 0.469 171 A N 1.667 124.513 122.820 0.043 0.000 1.969 171 A HA 0.008 4.328 4.320 -0.001 0.000 0.218 171 A C 2.373 179.968 177.584 0.018 0.000 1.169 171 A CA 1.878 53.936 52.037 0.036 0.000 0.635 171 A CB -1.395 17.632 19.000 0.045 0.000 0.810 171 A HN 0.572 nan 8.150 nan 0.000 0.445 172 T N -0.024 114.537 114.554 0.013 0.000 2.896 172 T HA -0.062 4.288 4.350 -0.001 0.000 0.263 172 T C 1.815 176.507 174.700 -0.012 0.000 1.050 172 T CA 1.224 63.314 62.100 -0.017 0.000 1.140 172 T CB -0.306 68.556 68.868 -0.011 0.000 0.877 172 T HN 0.308 nan 8.240 nan 0.000 0.457 173 L N 1.814 123.050 121.223 0.022 0.000 2.012 173 L HA -0.044 4.296 4.340 -0.001 0.000 0.210 173 L C 2.266 179.144 176.870 0.014 0.000 1.073 173 L CA 1.905 56.762 54.840 0.029 0.000 0.748 173 L CB -0.634 41.443 42.059 0.030 0.000 0.891 173 L HN 0.008 nan 8.230 nan 0.000 0.431 174 K N -0.219 120.188 120.400 0.010 0.000 2.063 174 K HA -0.160 4.159 4.320 -0.001 0.000 0.208 174 K C 1.997 178.614 176.600 0.029 0.000 1.048 174 K CA 1.946 58.241 56.287 0.014 0.000 0.928 174 K CB -0.668 31.841 32.500 0.016 0.000 0.713 174 K HN 0.468 nan 8.250 nan 0.000 0.442 175 L N -0.208 121.029 121.223 0.023 0.000 2.013 175 L HA -0.217 4.122 4.340 -0.001 0.000 0.212 175 L C 2.299 179.259 176.870 0.151 0.000 1.073 175 L CA 1.301 56.173 54.840 0.053 0.000 0.753 175 L CB -0.647 41.377 42.059 -0.059 0.000 0.890 175 L HN 0.011 nan 8.230 nan 0.000 0.432 176 V N -0.995 118.983 119.914 0.106 0.000 2.343 176 V HA -0.300 3.820 4.120 -0.001 0.000 0.247 176 V C 2.579 178.731 176.094 0.097 0.000 1.051 176 V CA 1.874 64.274 62.300 0.167 0.000 1.036 176 V CB -0.514 31.371 31.823 0.104 0.000 0.654 176 V HN 0.564 nan 8.190 nan 0.000 0.451 177 C N -0.081 119.250 119.300 0.052 0.000 2.440 177 C HA -0.125 4.334 4.460 -0.001 0.000 0.278 177 C C 2.516 177.514 174.990 0.014 0.000 1.295 177 C CA 0.645 59.674 59.018 0.019 0.000 1.738 177 C CB -1.030 26.709 27.740 -0.001 0.000 1.987 177 C HN 0.584 nan 8.230 nan 0.000 0.492 178 D N 0.563 120.982 120.400 0.033 0.000 2.097 178 D HA -0.125 4.515 4.640 -0.001 0.000 0.195 178 D C 2.314 178.618 176.300 0.007 0.000 0.989 178 D CA 1.179 55.194 54.000 0.025 0.000 0.827 178 D CB -0.450 40.376 40.800 0.043 0.000 0.966 178 D HN 0.336 nan 8.370 nan 0.000 0.456 179 R N 1.235 121.750 120.500 0.026 0.000 2.091 179 R HA -0.149 4.190 4.340 -0.001 0.000 0.238 179 R C 1.891 178.126 176.300 -0.109 0.000 1.136 179 R CA 1.557 57.614 56.100 -0.071 0.000 0.959 179 R CB -0.543 29.670 30.300 -0.146 0.000 0.856 179 R HN -0.012 nan 8.270 nan 0.000 0.437 180 E N 0.165 120.321 120.200 -0.073 0.000 2.110 180 E HA -0.105 4.244 4.350 -0.001 0.000 0.193 180 E C 1.924 178.473 176.600 -0.085 0.000 0.988 180 E CA 1.483 57.833 56.400 -0.084 0.000 0.804 180 E CB -0.044 29.631 29.700 -0.041 0.000 0.745 180 E HN 0.363 nan 8.360 nan 0.000 0.458 181 R N 0.055 120.513 120.500 -0.069 0.000 2.075 181 R HA -0.066 4.274 4.340 -0.001 0.000 0.232 181 R C 2.365 178.620 176.300 -0.075 0.000 1.126 181 R CA 1.405 57.456 56.100 -0.082 0.000 0.963 181 R CB -0.198 30.069 30.300 -0.054 0.000 0.858 181 R HN 0.289 nan 8.270 nan 0.000 0.435 182 E N 0.537 120.702 120.200 -0.059 0.000 2.085 182 E HA -0.214 4.135 4.350 -0.001 0.000 0.194 182 E C 1.988 178.568 176.600 -0.033 0.000 0.994 182 E CA 1.291 57.667 56.400 -0.040 0.000 0.801 182 E CB -0.119 29.546 29.700 -0.059 0.000 0.743 182 E HN 0.344 nan 8.360 nan 0.000 0.453 183 I N 0.551 121.068 120.570 -0.088 0.000 2.202 183 I HA -0.242 3.928 4.170 -0.001 0.000 0.242 183 I C 2.486 178.579 176.117 -0.040 0.000 1.091 183 I CA 0.434 61.676 61.300 -0.096 0.000 1.368 183 I CB -0.151 37.751 38.000 -0.164 0.000 1.058 183 I HN 0.116 nan 8.210 nan 0.000 0.410 184 L N 0.998 122.166 121.223 -0.092 0.000 2.043 184 L HA -0.198 4.142 4.340 -0.001 0.000 0.212 184 L C 2.377 179.174 176.870 -0.122 0.000 1.075 184 L CA 1.935 56.685 54.840 -0.150 0.000 0.752 184 L CB -0.457 41.429 42.059 -0.288 0.000 0.891 184 L HN 0.096 nan 8.230 nan 0.000 0.432 185 R N -1.740 118.715 120.500 -0.076 0.000 2.310 185 R HA 0.053 4.393 4.340 -0.001 0.000 0.202 185 R C 0.046 176.345 176.300 -0.001 0.000 0.933 185 R CA -0.327 55.737 56.100 -0.060 0.000 1.054 185 R CB -0.132 30.133 30.300 -0.059 0.000 0.985 185 R HN 0.203 nan 8.270 nan 0.000 0.489 186 F N 1.298 121.193 119.950 -0.092 0.000 2.456 186 F HA 0.111 4.638 4.527 -0.001 0.000 0.358 186 F C -0.095 175.669 175.800 -0.060 0.000 1.095 186 F CA -0.396 57.561 58.000 -0.072 0.000 1.216 186 F CB 0.792 39.748 39.000 -0.074 0.000 1.125 186 F HN -0.355 nan 8.300 nan 0.000 0.549 187 V N 7.899 127.334 119.914 -0.798 0.000 2.313 187 V HA 0.308 4.427 4.120 -0.001 0.000 0.278 187 V C -2.112 173.539 176.094 -0.739 0.000 1.017 187 V CA -1.757 60.225 62.300 -0.530 0.000 0.823 187 V CB 0.797 32.417 31.823 -0.339 0.000 1.010 187 V HN 0.661 nan 8.190 nan 0.000 0.443 188 P HA 0.273 nan 4.420 nan 0.000 0.271 188 P C -0.675 176.571 177.300 -0.090 0.000 1.218 188 P CA -0.361 62.690 63.100 -0.083 0.000 0.780 188 P CB 0.731 32.519 31.700 0.147 0.000 0.901 189 K N 2.066 122.467 120.400 0.002 0.000 2.376 189 K HA 0.296 4.615 4.320 -0.001 0.000 0.257 189 K C -0.569 176.118 176.600 0.145 0.000 0.939 189 K CA -0.739 55.562 56.287 0.023 0.000 0.809 189 K CB 0.947 33.449 32.500 0.004 0.000 1.121 189 K HN 0.239 nan 8.250 nan 0.000 0.425 190 K N 3.407 123.844 120.400 0.062 0.000 2.350 190 K HA 0.130 4.449 4.320 -0.001 0.000 0.279 190 K C -0.778 175.999 176.600 0.295 0.000 1.027 190 K CA -0.018 56.320 56.287 0.087 0.000 0.969 190 K CB 0.423 32.840 32.500 -0.138 0.000 0.954 190 K HN 0.500 nan 8.250 nan 0.000 0.474 191 Y N -1.606 118.775 120.300 0.134 0.000 2.670 191 Y HA 0.384 4.934 4.550 -0.001 0.000 0.334 191 Y C -1.013 174.827 175.900 -0.099 0.000 1.185 191 Y CA -1.390 56.768 58.100 0.097 0.000 1.053 191 Y CB 1.024 39.536 38.460 0.086 0.000 1.298 191 Y HN 0.406 nan 8.280 nan 0.000 0.459 192 H N 1.726 120.942 119.070 0.243 0.000 2.467 192 H HA 0.399 4.955 4.556 -0.001 0.000 0.326 192 H C -0.804 174.661 175.328 0.228 0.000 1.094 192 H CA -0.749 55.359 56.048 0.101 0.000 1.253 192 H CB 2.030 31.860 29.762 0.113 0.000 1.439 192 H HN 0.560 nan 8.280 nan 0.000 0.479 193 R N 3.855 124.462 120.500 0.178 0.000 2.216 193 R HA 0.326 4.666 4.340 -0.001 0.000 0.332 193 R C -0.707 175.686 176.300 0.156 0.000 1.056 193 R CA -0.404 55.827 56.100 0.220 0.000 0.901 193 R CB 0.077 30.461 30.300 0.141 0.000 1.039 193 R HN 0.541 nan 8.270 nan 0.000 0.456 194 I N 4.564 125.229 120.570 0.157 0.000 2.382 194 I HA 0.236 4.406 4.170 -0.001 0.000 0.286 194 I C -0.073 176.142 176.117 0.163 0.000 1.002 194 I CA -0.665 60.690 61.300 0.091 0.000 1.135 194 I CB 2.047 40.036 38.000 -0.019 0.000 1.288 194 I HN 0.637 nan 8.210 nan 0.000 0.448 195 T N 3.122 117.741 114.554 0.109 0.000 2.908 195 T HA 0.770 5.119 4.350 -0.001 0.000 0.290 195 T C -0.396 174.308 174.700 0.007 0.000 1.034 195 T CA -0.803 61.366 62.100 0.115 0.000 1.010 195 T CB 2.075 71.001 68.868 0.097 0.000 1.068 195 T HN 0.331 nan 8.240 nan 0.000 0.481 196 V N 0.130 120.028 119.914 -0.026 0.000 2.628 196 V HA 0.730 4.850 4.120 -0.001 0.000 0.306 196 V C -0.853 175.312 176.094 0.119 0.000 1.045 196 V CA -0.994 61.234 62.300 -0.121 0.000 0.905 196 V CB 1.612 33.144 31.823 -0.485 0.000 0.997 196 V HN 0.973 nan 8.190 nan 0.000 0.436 197 N N 3.888 122.664 118.700 0.127 0.000 2.258 197 N HA 0.781 5.521 4.740 -0.001 0.000 0.299 197 N C -1.384 174.272 175.510 0.243 0.000 1.047 197 N CA -0.145 52.988 53.050 0.139 0.000 0.814 197 N CB 2.741 41.250 38.487 0.038 0.000 1.413 197 N HN 0.940 nan 8.380 nan 0.000 0.478 198 F N -1.607 118.326 119.950 -0.029 0.000 2.639 198 F HA 0.317 4.843 4.527 -0.001 0.000 0.320 198 F C -0.403 175.403 175.800 0.009 0.000 1.128 198 F CA -1.002 56.971 58.000 -0.045 0.000 1.037 198 F CB 0.963 39.889 39.000 -0.124 0.000 1.288 198 F HN 0.296 nan 8.300 nan 0.000 0.463 199 D N 2.702 123.088 120.400 -0.023 0.000 2.701 199 D HA -0.189 4.450 4.640 -0.001 0.000 0.235 199 D C 1.399 177.614 176.300 -0.141 0.000 1.155 199 D CA 2.073 56.042 54.000 -0.052 0.000 0.649 199 D CB -0.875 39.970 40.800 0.075 0.000 1.050 199 D HN 1.735 nan 8.370 nan 0.000 0.425 200 G N -1.041 107.676 108.800 -0.140 0.000 2.168 200 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.263 200 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.263 200 G C 0.351 175.153 174.900 -0.163 0.000 0.977 200 G CA 0.778 45.808 45.100 -0.117 0.000 0.659 200 G HN 0.480 nan 8.290 nan 0.000 0.533 201 L N 0.310 121.314 121.223 -0.364 0.000 2.332 201 L HA 0.870 5.209 4.340 -0.001 0.000 0.269 201 L C 0.724 177.425 176.870 -0.281 0.000 1.016 201 L CA -0.336 54.278 54.840 -0.375 0.000 0.809 201 L CB 2.233 43.850 42.059 -0.736 0.000 1.280 201 L HN 0.351 nan 8.230 nan 0.000 0.447 202 T N -1.236 113.333 114.554 0.025 0.000 2.903 202 T HA 0.898 5.248 4.350 -0.001 0.000 0.299 202 T C -0.927 173.990 174.700 0.361 0.000 1.093 202 T CA -0.754 61.445 62.100 0.165 0.000 1.002 202 T CB 2.175 71.107 68.868 0.108 0.000 1.127 202 T HN 0.831 nan 8.240 nan 0.000 0.488 203 A N 1.276 124.316 122.820 0.366 0.000 2.549 203 A HA 0.764 5.084 4.320 -0.001 0.000 0.297 203 A C -0.814 176.954 177.584 0.307 0.000 1.061 203 A CA -0.869 51.381 52.037 0.355 0.000 0.690 203 A CB 1.563 20.893 19.000 0.551 0.000 1.287 203 A HN 0.878 nan 8.150 nan 0.000 0.402 204 E N 0.787 121.138 120.200 0.252 0.000 2.214 204 E HA 0.375 4.725 4.350 -0.001 0.000 0.274 204 E C -0.552 176.206 176.600 0.263 0.000 0.977 204 E CA -0.678 55.873 56.400 0.251 0.000 0.827 204 E CB 1.984 31.772 29.700 0.147 0.000 1.130 204 E HN 0.643 nan 8.360 nan 0.000 0.394 205 I N 2.155 122.863 120.570 0.231 0.000 2.775 205 I HA -0.144 4.026 4.170 -0.001 0.000 0.290 205 I C -0.001 176.071 176.117 -0.075 0.000 1.203 205 I CA 0.508 61.732 61.300 -0.127 0.000 1.433 205 I CB 0.404 38.329 38.000 -0.125 0.000 1.354 205 I HN 0.427 nan 8.210 nan 0.000 0.579 206 D N 7.391 127.685 120.400 -0.177 0.000 2.380 206 D HA 0.403 5.043 4.640 -0.001 0.000 0.230 206 D C -0.886 175.403 176.300 -0.017 0.000 1.154 206 D CA -0.200 53.757 54.000 -0.071 0.000 0.859 206 D CB 0.702 41.450 40.800 -0.087 0.000 1.045 206 D HN 0.277 nan 8.370 nan 0.000 0.495 207 V N 1.072 121.002 119.914 0.027 0.000 3.007 207 V HA 0.468 4.587 4.120 -0.001 0.000 0.311 207 V C 1.141 177.245 176.094 0.016 0.000 1.120 207 V CA -0.977 61.354 62.300 0.052 0.000 0.980 207 V CB 1.950 33.846 31.823 0.122 0.000 1.033 207 V HN 0.301 nan 8.190 nan 0.000 0.429 208 K N 0.860 121.261 120.400 0.003 0.000 2.097 208 K HA 0.043 4.363 4.320 -0.001 0.000 0.205 208 K C 0.566 177.152 176.600 -0.023 0.000 1.050 208 K CA 1.934 58.214 56.287 -0.013 0.000 0.938 208 K CB 0.158 32.648 32.500 -0.017 0.000 0.718 208 K HN 0.955 nan 8.250 nan 0.000 0.442 209 E N -0.175 120.008 120.200 -0.029 0.000 2.433 209 E HA 0.270 4.619 4.350 -0.001 0.000 0.278 209 E C -1.394 175.171 176.600 -0.059 0.000 0.976 209 E CA -1.013 55.357 56.400 -0.051 0.000 0.793 209 E CB 1.177 30.843 29.700 -0.057 0.000 1.311 209 E HN -0.216 nan 8.360 nan 0.000 0.460 210 K N 0.941 121.275 120.400 -0.111 0.000 2.524 210 K HA 0.047 4.367 4.320 -0.001 0.000 0.279 210 K C -0.359 176.214 176.600 -0.044 0.000 0.993 210 K CA 0.665 56.869 56.287 -0.139 0.000 1.030 210 K CB 0.446 32.664 32.500 -0.470 0.000 0.891 210 K HN 0.344 nan 8.250 nan 0.000 0.488 211 K N 2.826 123.248 120.400 0.037 0.000 2.498 211 K HA 0.253 4.572 4.320 -0.001 0.000 0.254 211 K C -1.679 174.946 176.600 0.042 0.000 0.933 211 K CA -0.716 55.508 56.287 -0.105 0.000 0.806 211 K CB 0.920 33.114 32.500 -0.511 0.000 1.301 211 K HN 0.361 nan 8.250 nan 0.000 0.432 212 F N 4.845 124.758 119.950 -0.061 0.000 2.390 212 F HA 0.386 4.912 4.527 -0.001 0.000 0.361 212 F C -0.925 174.925 175.800 0.083 0.000 1.124 212 F CA -0.400 57.645 58.000 0.076 0.000 1.149 212 F CB 0.277 39.278 39.000 0.001 0.000 1.160 212 F HN 0.367 nan 8.300 nan 0.000 0.501 213 F N 3.770 123.794 119.950 0.123 0.000 2.399 213 F HA 0.189 4.715 4.527 -0.001 0.000 0.342 213 F C 0.611 176.397 175.800 -0.023 0.000 1.106 213 F CA -0.675 57.339 58.000 0.023 0.000 1.196 213 F CB 0.468 39.410 39.000 -0.096 0.000 1.163 213 F HN 0.504 nan 8.300 nan 0.000 0.547 214 D N 1.187 121.713 120.400 0.211 0.000 2.371 214 D HA 0.300 4.939 4.640 -0.001 0.000 0.242 214 D C 0.838 177.193 176.300 0.092 0.000 1.218 214 D CA -0.195 53.904 54.000 0.165 0.000 0.945 214 D CB 0.677 41.563 40.800 0.143 0.000 1.137 214 D HN 0.527 nan 8.370 nan 0.000 0.464 215 A N 0.090 122.958 122.820 0.079 0.000 1.969 215 A HA -0.183 4.136 4.320 -0.001 0.000 0.218 215 A C 1.992 179.581 177.584 0.009 0.000 1.169 215 A CA 1.174 53.229 52.037 0.030 0.000 0.635 215 A CB -0.728 18.302 19.000 0.050 0.000 0.810 215 A HN 0.713 nan 8.150 nan 0.000 0.445 216 E N -0.842 119.379 120.200 0.036 0.000 2.107 216 E HA -0.101 4.249 4.350 -0.001 0.000 0.191 216 E C 2.011 178.631 176.600 0.032 0.000 0.982 216 E CA 1.458 57.877 56.400 0.032 0.000 0.809 216 E CB -0.135 29.591 29.700 0.045 0.000 0.756 216 E HN 0.610 nan 8.360 nan 0.000 0.459 217 T N 1.840 116.430 114.554 0.061 0.000 2.746 217 T HA -0.107 4.242 4.350 -0.001 0.000 0.267 217 T C 2.022 176.682 174.700 -0.067 0.000 1.039 217 T CA 0.695 62.842 62.100 0.078 0.000 1.142 217 T CB -0.183 68.810 68.868 0.208 0.000 0.866 217 T HN 0.100 nan 8.240 nan 0.000 0.444 218 L N 0.754 121.906 121.223 -0.118 0.000 2.042 218 L HA -0.152 4.187 4.340 -0.001 0.000 0.210 218 L C 2.734 179.492 176.870 -0.186 0.000 1.076 218 L CA 1.487 56.181 54.840 -0.243 0.000 0.749 218 L CB -0.514 41.378 42.059 -0.279 0.000 0.893 218 L HN 0.259 nan 8.230 nan 0.000 0.432 219 K N 0.457 120.793 120.400 -0.107 0.000 2.002 219 K HA -0.259 4.061 4.320 -0.001 0.000 0.209 219 K C 2.038 178.593 176.600 -0.075 0.000 1.048 219 K CA 1.786 58.027 56.287 -0.076 0.000 0.930 219 K CB -0.080 32.398 32.500 -0.037 0.000 0.714 219 K HN 0.228 nan 8.250 nan 0.000 0.438 220 E N 0.402 120.572 120.200 -0.051 0.000 2.049 220 E HA -0.225 4.124 4.350 -0.001 0.000 0.198 220 E C 2.047 178.577 176.600 -0.116 0.000 1.007 220 E CA 1.836 58.221 56.400 -0.026 0.000 0.809 220 E CB -0.108 29.632 29.700 0.068 0.000 0.749 220 E HN 0.371 nan 8.360 nan 0.000 0.450 221 I N 0.414 120.822 120.570 -0.271 0.000 2.252 221 I HA -0.260 3.910 4.170 -0.001 0.000 0.245 221 I C 2.629 178.599 176.117 -0.244 0.000 1.102 221 I CA 0.987 62.038 61.300 -0.414 0.000 1.385 221 I CB -0.158 37.481 38.000 -0.602 0.000 1.064 221 I HN 0.162 nan 8.210 nan 0.000 0.414 222 Q N 1.029 120.709 119.800 -0.200 0.000 2.224 222 Q HA -0.178 4.161 4.340 -0.001 0.000 0.203 222 Q C 2.208 178.141 176.000 -0.111 0.000 0.970 222 Q CA 1.933 57.646 55.803 -0.149 0.000 0.865 222 Q CB -0.261 28.399 28.738 -0.131 0.000 0.922 222 Q HN 0.548 nan 8.270 nan 0.000 0.445 223 S N -0.976 114.668 115.700 -0.094 0.000 2.507 223 S HA -0.003 4.467 4.470 -0.001 0.000 0.235 223 S C 0.696 175.259 174.600 -0.062 0.000 0.988 223 S CA -0.142 58.020 58.200 -0.063 0.000 0.944 223 S CB -0.508 62.668 63.200 -0.039 0.000 0.762 223 S HN 0.371 nan 8.310 nan 0.000 0.526 224 I N 3.345 123.864 120.570 -0.084 0.000 2.587 224 I HA 0.064 4.233 4.170 -0.001 0.000 0.284 224 I C 0.490 176.546 176.117 -0.102 0.000 1.134 224 I CA -0.036 61.215 61.300 -0.081 0.000 1.410 224 I CB 0.619 38.556 38.000 -0.105 0.000 1.392 224 I HN 0.344 nan 8.210 nan 0.000 0.545 225 D N 3.564 123.913 120.400 -0.084 0.000 2.500 225 D HA 0.105 4.744 4.640 -0.001 0.000 0.217 225 D C 0.146 176.383 176.300 -0.104 0.000 1.159 225 D CA -0.215 53.731 54.000 -0.090 0.000 0.828 225 D CB 0.400 41.163 40.800 -0.063 0.000 1.039 225 D HN 0.553 nan 8.370 nan 0.000 0.512 226 E N 0.248 120.381 120.200 -0.112 0.000 2.321 226 E HA 0.544 4.894 4.350 -0.001 0.000 0.278 226 E C -1.605 174.909 176.600 -0.143 0.000 0.902 226 E CA -0.758 55.563 56.400 -0.132 0.000 0.758 226 E CB 1.742 31.388 29.700 -0.089 0.000 1.213 226 E HN 0.010 nan 8.360 nan 0.000 0.426 227 L N 2.409 123.506 121.223 -0.211 0.000 2.309 227 L HA 0.667 5.006 4.340 -0.001 0.000 0.261 227 L C -0.906 175.856 176.870 -0.179 0.000 1.021 227 L CA -1.277 53.449 54.840 -0.190 0.000 0.823 227 L CB 2.258 44.133 42.059 -0.307 0.000 1.366 227 L HN 0.347 nan 8.230 nan 0.000 0.423 228 V N 1.461 121.316 119.914 -0.097 0.000 2.495 228 V HA 0.296 4.416 4.120 -0.001 0.000 0.298 228 V C -0.053 176.025 176.094 -0.026 0.000 1.031 228 V CA -0.820 61.440 62.300 -0.067 0.000 0.871 228 V CB 1.990 33.802 31.823 -0.019 0.000 0.988 228 V HN 0.383 nan 8.190 nan 0.000 0.432 229 V N 4.104 124.010 119.914 -0.014 0.000 2.450 229 V HA 0.043 4.163 4.120 -0.001 0.000 0.281 229 V C 1.225 177.383 176.094 0.106 0.000 1.019 229 V CA 0.553 62.912 62.300 0.098 0.000 1.062 229 V CB 0.603 32.541 31.823 0.191 0.000 0.979 229 V HN 1.090 nan 8.190 nan 0.000 0.477 230 E N 3.725 123.996 120.200 0.118 0.000 2.127 230 E HA 0.082 4.431 4.350 -0.001 0.000 0.191 230 E C 0.738 177.396 176.600 0.098 0.000 0.964 230 E CA 0.310 56.765 56.400 0.092 0.000 0.832 230 E CB 0.548 30.297 29.700 0.081 0.000 0.790 230 E HN 0.808 nan 8.360 nan 0.000 0.465 231 E N 0.056 120.329 120.200 0.122 0.000 2.331 231 E HA 0.261 4.610 4.350 -0.001 0.000 0.275 231 E C -1.620 175.054 176.600 0.123 0.000 0.895 231 E CA -0.737 55.725 56.400 0.103 0.000 0.753 231 E CB 1.708 31.449 29.700 0.068 0.000 1.216 231 E HN -0.065 nan 8.360 nan 0.000 0.434 232 K N 3.862 124.324 120.400 0.104 0.000 2.601 232 K HA 0.328 4.647 4.320 -0.001 0.000 0.249 232 K C -1.494 175.141 176.600 0.058 0.000 0.966 232 K CA -0.791 55.540 56.287 0.074 0.000 0.827 232 K CB 0.926 33.519 32.500 0.156 0.000 1.178 232 K HN 0.246 nan 8.250 nan 0.000 0.437 233 K N 3.223 123.640 120.400 0.029 0.000 2.345 233 K HA 0.404 4.724 4.320 -0.001 0.000 0.255 233 K C -0.855 175.762 176.600 0.029 0.000 0.934 233 K CA -0.945 55.359 56.287 0.029 0.000 0.801 233 K CB 2.289 34.797 32.500 0.014 0.000 1.137 233 K HN 0.277 nan 8.250 nan 0.000 0.424 234 V N 1.950 121.889 119.914 0.041 0.000 2.417 234 V HA 0.434 4.554 4.120 -0.001 0.000 0.291 234 V C -0.151 175.964 176.094 0.035 0.000 1.024 234 V CA -0.585 61.744 62.300 0.048 0.000 0.861 234 V CB 1.465 33.327 31.823 0.065 0.000 0.985 234 V HN 0.980 nan 8.190 nan 0.000 0.436 235 S N 3.300 119.020 115.700 0.032 0.000 2.588 235 S HA 0.742 5.212 4.470 -0.001 0.000 0.275 235 S C -0.877 173.738 174.600 0.024 0.000 1.130 235 S CA -0.853 57.358 58.200 0.019 0.000 0.855 235 S CB 1.791 64.992 63.200 0.003 0.000 1.116 235 S HN 0.359 nan 8.310 nan 0.000 0.472 236 V N 1.885 121.807 119.914 0.013 0.000 2.572 236 V HA 0.387 4.507 4.120 -0.001 0.000 0.291 236 V C 0.301 176.381 176.094 -0.023 0.000 1.039 236 V CA 0.002 62.310 62.300 0.013 0.000 1.055 236 V CB 0.736 32.562 31.823 0.005 0.000 0.969 236 V HN 0.915 nan 8.190 nan 0.000 0.482 237 K N 4.693 125.075 120.400 -0.031 0.000 2.413 237 K HA 0.468 4.787 4.320 -0.001 0.000 0.257 237 K C -0.676 175.787 176.600 -0.229 0.000 0.946 237 K CA -0.695 55.481 56.287 -0.185 0.000 0.823 237 K CB 1.127 33.478 32.500 -0.248 0.000 1.109 237 K HN 0.609 nan 8.250 nan 0.000 0.427 238 K N 3.443 123.679 120.400 -0.273 0.000 2.130 238 K HA 0.342 4.661 4.320 -0.001 0.000 0.268 238 K C -0.935 175.446 176.600 -0.365 0.000 0.983 238 K CA -0.587 55.595 56.287 -0.176 0.000 0.893 238 K CB 0.999 33.469 32.500 -0.049 0.000 1.066 238 K HN 0.318 nan 8.250 nan 0.000 0.450 239 F N 1.087 121.142 119.950 0.175 0.000 2.449 239 F HA 0.346 4.872 4.527 -0.001 0.000 0.342 239 F C 0.507 176.394 175.800 0.146 0.000 1.127 239 F CA -0.926 57.172 58.000 0.164 0.000 0.975 239 F CB 1.560 40.695 39.000 0.224 0.000 1.146 239 F HN 0.505 nan 8.300 nan 0.000 0.444 240 A N 5.035 127.942 122.820 0.146 0.000 2.407 240 A HA 0.574 4.894 4.320 -0.001 0.000 0.248 240 A C -2.265 175.074 177.584 -0.409 0.000 1.082 240 A CA -1.289 50.708 52.037 -0.066 0.000 0.785 240 A CB -0.347 18.605 19.000 -0.080 0.000 1.020 240 A HN 0.448 nan 8.150 nan 0.000 0.489 241 P HA 0.246 nan 4.420 nan 0.000 0.272 241 P C -2.539 174.335 177.300 -0.709 0.000 1.240 241 P CA -1.106 61.283 63.100 -1.185 0.000 0.791 241 P CB -0.418 30.872 31.700 -0.684 0.000 0.978 242 P HA 0.110 nan 4.420 nan 0.000 0.272 242 P C -0.122 176.881 177.300 -0.493 0.000 1.230 242 P CA 0.043 62.776 63.100 -0.612 0.000 0.788 242 P CB 0.761 31.896 31.700 -0.942 0.000 0.949 243 E N 1.693 121.672 120.200 -0.368 0.000 2.392 243 E HA 0.169 4.519 4.350 -0.001 0.000 0.259 243 E C -2.014 174.386 176.600 -0.334 0.000 1.108 243 E CA -1.571 54.665 56.400 -0.273 0.000 0.916 243 E CB -0.561 29.041 29.700 -0.164 0.000 0.989 243 E HN 0.382 nan 8.360 nan 0.000 0.432 244 P HA -0.064 nan 4.420 nan 0.000 0.268 244 P C -0.587 176.648 177.300 -0.107 0.000 1.208 244 P CA 0.176 63.192 63.100 -0.140 0.000 0.777 244 P CB 0.274 32.015 31.700 0.069 0.000 0.875 245 F N 1.646 121.584 119.950 -0.020 0.000 2.553 245 F HA 0.102 4.629 4.527 -0.001 0.000 0.356 245 F C 1.615 177.414 175.800 -0.001 0.000 1.142 245 F CA 0.549 58.538 58.000 -0.019 0.000 1.322 245 F CB 0.135 39.139 39.000 0.007 0.000 1.126 245 F HN 0.279 nan 8.300 nan 0.000 0.599 246 K N -0.189 120.353 120.400 0.237 0.000 2.312 246 K HA 0.515 4.835 4.320 -0.001 0.000 0.236 246 K C 0.618 177.268 176.600 0.083 0.000 1.079 246 K CA -0.699 55.664 56.287 0.128 0.000 0.900 246 K CB 0.666 33.219 32.500 0.089 0.000 1.297 246 K HN 0.392 nan 8.250 nan 0.000 0.498 247 T N 0.644 115.229 114.554 0.052 0.000 2.652 247 T HA -0.225 4.125 4.350 -0.001 0.000 0.267 247 T C 2.046 176.749 174.700 0.004 0.000 1.039 247 T CA 2.452 64.572 62.100 0.032 0.000 1.153 247 T CB -0.535 68.379 68.868 0.076 0.000 0.863 247 T HN 0.762 nan 8.240 nan 0.000 0.428 248 S N 1.879 117.570 115.700 -0.015 0.000 2.356 248 S HA -0.175 4.294 4.470 -0.001 0.000 0.223 248 S C 2.347 176.877 174.600 -0.116 0.000 1.032 248 S CA 1.846 59.914 58.200 -0.221 0.000 1.005 248 S CB -1.301 61.717 63.200 -0.304 0.000 0.867 248 S HN 0.729 nan 8.310 nan 0.000 0.449 249 T N 0.516 115.066 114.554 -0.006 0.000 2.904 249 T HA 0.079 4.428 4.350 -0.001 0.000 0.267 249 T C 1.744 176.449 174.700 0.009 0.000 1.059 249 T CA 0.962 63.121 62.100 0.098 0.000 1.137 249 T CB -0.723 68.286 68.868 0.234 0.000 0.879 249 T HN 0.245 nan 8.240 nan 0.000 0.467 250 L N 1.236 122.299 121.223 -0.267 0.000 2.017 250 L HA -0.038 4.301 4.340 -0.001 0.000 0.208 250 L C 2.740 179.418 176.870 -0.320 0.000 1.073 250 L CA 1.783 56.179 54.840 -0.739 0.000 0.745 250 L CB -0.906 40.787 42.059 -0.611 0.000 0.894 250 L HN 0.280 nan 8.230 nan 0.000 0.432 251 Q N -1.090 118.618 119.800 -0.152 0.000 2.084 251 Q HA -0.263 4.077 4.340 -0.001 0.000 0.202 251 Q C 2.236 178.236 176.000 -0.001 0.000 0.978 251 Q CA 2.079 57.849 55.803 -0.053 0.000 0.844 251 Q CB -0.183 28.524 28.738 -0.051 0.000 0.898 251 Q HN 0.660 nan 8.270 nan 0.000 0.426 252 Q N 0.158 119.949 119.800 -0.016 0.000 2.030 252 Q HA -0.198 4.142 4.340 -0.001 0.000 0.204 252 Q C 2.037 178.109 176.000 0.119 0.000 0.986 252 Q CA 1.200 57.034 55.803 0.052 0.000 0.843 252 Q CB 0.012 28.773 28.738 0.039 0.000 0.904 252 Q HN 0.297 nan 8.270 nan 0.000 0.420 253 E N 0.218 120.482 120.200 0.107 0.000 2.107 253 E HA -0.112 4.238 4.350 -0.001 0.000 0.191 253 E C 1.930 178.564 176.600 0.057 0.000 0.982 253 E CA 1.028 57.523 56.400 0.158 0.000 0.809 253 E CB -0.172 29.747 29.700 0.365 0.000 0.756 253 E HN 0.350 nan 8.360 nan 0.000 0.459 254 A N 0.526 123.326 122.820 -0.033 0.000 1.969 254 A HA -0.189 4.130 4.320 -0.001 0.000 0.218 254 A C 2.079 179.617 177.584 -0.076 0.000 1.169 254 A CA 1.167 53.134 52.037 -0.117 0.000 0.635 254 A CB -0.655 18.283 19.000 -0.102 0.000 0.810 254 A HN 0.319 nan 8.150 nan 0.000 0.445 255 Y N 1.688 121.966 120.300 -0.037 0.000 2.133 255 Y HA -0.226 4.323 4.550 -0.001 0.000 0.287 255 Y C 2.939 178.820 175.900 -0.032 0.000 1.134 255 Y CA 2.284 60.379 58.100 -0.008 0.000 1.133 255 Y CB -0.373 38.089 38.460 0.003 0.000 0.987 255 Y HN 0.406 nan 8.280 nan 0.000 0.502 256 S N -0.566 115.131 115.700 -0.004 0.000 2.428 256 S HA -0.097 4.373 4.470 -0.001 0.000 0.230 256 S C 1.687 176.220 174.600 -0.112 0.000 1.014 256 S CA 1.165 59.340 58.200 -0.041 0.000 0.957 256 S CB -0.297 62.964 63.200 0.103 0.000 0.784 256 S HN 0.524 nan 8.310 nan 0.000 0.499 257 K N 0.243 120.576 120.400 -0.111 0.000 2.308 257 K HA 0.376 4.696 4.320 -0.001 0.000 0.197 257 K C 1.316 177.789 176.600 -0.212 0.000 1.049 257 K CA 0.366 56.573 56.287 -0.134 0.000 0.991 257 K CB 0.125 32.575 32.500 -0.084 0.000 0.836 257 K HN 0.358 nan 8.250 nan 0.000 0.500 258 L N -0.920 120.113 121.223 -0.317 0.000 2.878 258 L HA 0.259 4.598 4.340 -0.001 0.000 0.253 258 L C 0.888 177.555 176.870 -0.339 0.000 1.135 258 L CA 0.158 54.724 54.840 -0.457 0.000 0.943 258 L CB 0.838 42.302 42.059 -0.992 0.000 1.307 258 L HN 0.312 nan 8.230 nan 0.000 0.545 259 G N 0.561 109.168 108.800 -0.321 0.000 2.148 259 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.254 259 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.254 259 G C -0.006 174.914 174.900 0.035 0.000 0.981 259 G CA -0.245 44.699 45.100 -0.259 0.000 0.670 259 G HN 0.105 nan 8.290 nan 0.000 0.528 260 F N 2.363 122.245 119.950 -0.115 0.000 2.438 260 F HA 0.560 5.086 4.527 -0.001 0.000 0.356 260 F C 1.468 177.345 175.800 0.127 0.000 1.099 260 F CA -1.201 56.800 58.000 0.002 0.000 1.185 260 F CB 1.004 40.012 39.000 0.014 0.000 1.115 260 F HN 0.328 nan 8.300 nan 0.000 0.526 261 S N 2.102 117.985 115.700 0.304 0.000 2.569 261 S HA 0.113 4.583 4.470 -0.001 0.000 0.274 261 S C 1.338 176.064 174.600 0.210 0.000 1.353 261 S CA -0.235 58.125 58.200 0.267 0.000 1.023 261 S CB 0.881 64.168 63.200 0.145 0.000 0.876 261 S HN 0.623 nan 8.310 nan 0.000 0.540 262 V N -0.307 119.692 119.914 0.142 0.000 2.515 262 V HA -0.072 4.047 4.120 -0.001 0.000 0.250 262 V C 2.178 178.317 176.094 0.075 0.000 1.058 262 V CA 1.926 64.283 62.300 0.096 0.000 1.064 262 V CB -1.642 30.206 31.823 0.040 0.000 0.675 262 V HN 0.831 nan 8.190 nan 0.000 0.461 263 S N 0.302 116.037 115.700 0.058 0.000 2.368 263 S HA -0.156 4.313 4.470 -0.001 0.000 0.224 263 S C 1.938 176.552 174.600 0.022 0.000 1.029 263 S CA 1.994 60.216 58.200 0.037 0.000 0.988 263 S CB -0.383 62.832 63.200 0.025 0.000 0.838 263 S HN 0.789 nan 8.310 nan 0.000 0.462 264 K N 0.943 121.348 120.400 0.009 0.000 2.026 264 K HA -0.109 4.211 4.320 -0.001 0.000 0.208 264 K C 2.050 178.631 176.600 -0.031 0.000 1.048 264 K CA 1.711 57.956 56.287 -0.070 0.000 0.929 264 K CB -0.455 31.937 32.500 -0.180 0.000 0.713 264 K HN 0.210 nan 8.250 nan 0.000 0.439 265 T N 1.548 116.158 114.554 0.093 0.000 2.665 265 T HA -0.175 4.175 4.350 -0.001 0.000 0.268 265 T C 1.785 176.537 174.700 0.088 0.000 1.035 265 T CA 1.691 63.894 62.100 0.173 0.000 1.151 265 T CB -0.093 68.887 68.868 0.187 0.000 0.862 265 T HN 0.206 nan 8.240 nan 0.000 0.438 266 M N 0.462 120.095 119.600 0.055 0.000 2.175 266 M HA 0.082 4.561 4.480 -0.001 0.000 0.264 266 M C 2.327 178.653 176.300 0.043 0.000 1.063 266 M CA 1.206 56.528 55.300 0.037 0.000 1.119 266 M CB -1.133 31.483 32.600 0.026 0.000 1.377 266 M HN 0.317 nan 8.290 nan 0.000 0.415 267 M N 0.165 119.784 119.600 0.032 0.000 2.086 267 M HA -0.206 4.273 4.480 -0.001 0.000 0.261 267 M C 2.014 178.338 176.300 0.041 0.000 1.067 267 M CA 1.805 57.123 55.300 0.030 0.000 1.116 267 M CB -0.248 32.353 32.600 0.001 0.000 1.348 267 M HN 0.146 nan 8.290 nan 0.000 0.407 268 I N 0.613 121.201 120.570 0.029 0.000 2.179 268 I HA -0.237 3.932 4.170 -0.001 0.000 0.242 268 I C 2.691 178.872 176.117 0.106 0.000 1.088 268 I CA 1.249 62.580 61.300 0.052 0.000 1.357 268 I CB -0.667 37.368 38.000 0.059 0.000 1.051 268 I HN 0.367 nan 8.210 nan 0.000 0.409 269 A N 0.009 122.899 122.820 0.117 0.000 1.940 269 A HA -0.303 4.016 4.320 -0.001 0.000 0.219 269 A C 2.317 180.011 177.584 0.184 0.000 1.176 269 A CA 1.971 54.093 52.037 0.142 0.000 0.631 269 A CB -0.734 18.321 19.000 0.091 0.000 0.814 269 A HN 0.535 nan 8.150 nan 0.000 0.446 270 Q N -0.611 119.286 119.800 0.161 0.000 2.124 270 Q HA -0.246 4.093 4.340 -0.001 0.000 0.202 270 Q C 2.175 178.324 176.000 0.248 0.000 0.977 270 Q CA 1.770 57.715 55.803 0.238 0.000 0.850 270 Q CB -0.167 28.679 28.738 0.179 0.000 0.901 270 Q HN 0.808 nan 8.270 nan 0.000 0.429 271 Q N -0.048 119.851 119.800 0.164 0.000 2.084 271 Q HA -0.140 4.200 4.340 -0.001 0.000 0.202 271 Q C 2.137 178.227 176.000 0.150 0.000 0.978 271 Q CA 1.360 57.240 55.803 0.129 0.000 0.844 271 Q CB -0.025 28.758 28.738 0.075 0.000 0.898 271 Q HN 0.421 nan 8.270 nan 0.000 0.426 272 L N -0.665 120.669 121.223 0.185 0.000 2.217 272 L HA -0.134 4.205 4.340 -0.001 0.000 0.211 272 L C 2.288 179.344 176.870 0.310 0.000 1.107 272 L CA 0.744 55.728 54.840 0.240 0.000 0.783 272 L CB -0.343 41.864 42.059 0.246 0.000 0.919 272 L HN 0.277 nan 8.230 nan 0.000 0.442 273 Y N 1.065 121.481 120.300 0.193 0.000 2.206 273 Y HA -0.131 4.419 4.550 -0.001 0.000 0.292 273 Y C 2.346 178.354 175.900 0.180 0.000 1.123 273 Y CA 1.269 59.490 58.100 0.202 0.000 1.142 273 Y CB -0.120 38.478 38.460 0.230 0.000 1.006 273 Y HN 0.111 nan 8.280 nan 0.000 0.518 274 E N 0.498 120.611 120.200 -0.145 0.000 2.204 274 E HA 0.144 4.493 4.350 -0.001 0.000 0.194 274 E C 0.700 177.260 176.600 -0.068 0.000 0.989 274 E CA 0.757 57.036 56.400 -0.202 0.000 0.824 274 E CB -0.310 29.400 29.700 0.017 0.000 0.756 274 E HN 0.567 nan 8.360 nan 0.000 0.477 275 G N 0.456 109.270 108.800 0.024 0.000 2.770 275 G HA2 -0.070 3.889 3.960 -0.001 0.000 0.686 275 G HA3 -0.070 3.889 3.960 -0.001 0.000 0.686 275 G C -0.479 174.394 174.900 -0.045 0.000 1.180 275 G CA -0.434 44.687 45.100 0.035 0.000 0.767 275 G HN 0.377 nan 8.290 nan 0.000 0.646 276 V N -1.170 118.634 119.914 -0.183 0.000 2.769 276 V HA 0.872 4.991 4.120 -0.001 0.000 0.312 276 V C 0.494 176.159 176.094 -0.715 0.000 1.058 276 V CA -0.987 61.102 62.300 -0.352 0.000 0.952 276 V CB 1.985 33.756 31.823 -0.087 0.000 1.019 276 V HN 0.969 nan 8.190 nan 0.000 0.445 277 E N 2.122 121.925 120.200 -0.661 0.000 2.299 277 E HA 0.392 4.741 4.350 -0.001 0.000 0.272 277 E C 0.353 176.886 176.600 -0.112 0.000 1.043 277 E CA 0.276 56.466 56.400 -0.349 0.000 0.895 277 E CB 0.894 30.612 29.700 0.031 0.000 1.011 277 E HN 1.081 nan 8.360 nan 0.000 0.432 278 T N 0.995 115.513 114.554 -0.059 0.000 2.688 278 T HA 0.373 4.723 4.350 -0.001 0.000 0.249 278 T C 0.419 175.156 174.700 0.063 0.000 0.944 278 T CA -0.691 61.445 62.100 0.060 0.000 1.058 278 T CB 0.929 69.828 68.868 0.052 0.000 1.673 278 T HN 0.333 nan 8.240 nan 0.000 0.565 279 K N 0.374 120.830 120.400 0.093 0.000 2.934 279 K HA 0.244 4.563 4.320 -0.001 0.000 0.210 279 K C -0.621 176.010 176.600 0.051 0.000 1.122 279 K CA -0.206 56.117 56.287 0.061 0.000 1.033 279 K CB 0.271 32.804 32.500 0.054 0.000 0.779 279 K HN 0.455 nan 8.250 nan 0.000 0.459 280 D N 0.959 121.377 120.400 0.030 0.000 2.615 280 D HA 0.128 4.768 4.640 -0.001 0.000 0.236 280 D C 0.789 177.060 176.300 -0.049 0.000 1.233 280 D CA 0.252 54.244 54.000 -0.014 0.000 0.829 280 D CB 0.848 41.626 40.800 -0.038 0.000 1.024 280 D HN 0.540 nan 8.370 nan 0.000 0.490 281 G N 1.117 109.908 108.800 -0.015 0.000 2.553 281 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.242 281 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.242 281 G C -0.546 174.355 174.900 0.002 0.000 1.277 281 G CA -0.627 44.477 45.100 0.006 0.000 0.910 281 G HN 0.480 nan 8.290 nan 0.000 0.576 282 H N 0.200 119.227 119.070 -0.071 0.000 2.623 282 H HA 0.609 5.164 4.556 -0.001 0.000 0.299 282 H C 0.376 175.636 175.328 -0.113 0.000 1.052 282 H CA 0.006 56.014 56.048 -0.068 0.000 1.231 282 H CB 0.495 30.223 29.762 -0.056 0.000 1.389 282 H HN 0.794 nan 8.280 nan 0.000 0.469 283 I N 2.141 122.595 120.570 -0.193 0.000 2.509 283 I HA 0.772 4.942 4.170 -0.001 0.000 0.293 283 I C -0.638 175.325 176.117 -0.256 0.000 1.020 283 I CA -0.872 60.272 61.300 -0.259 0.000 1.088 283 I CB 1.936 39.690 38.000 -0.410 0.000 1.267 283 I HN 0.546 nan 8.210 nan 0.000 0.430 284 A N 4.769 127.435 122.820 -0.257 0.000 2.302 284 A HA 0.709 5.028 4.320 -0.001 0.000 0.285 284 A C -0.241 177.164 177.584 -0.298 0.000 1.105 284 A CA -0.213 51.740 52.037 -0.141 0.000 0.816 284 A CB 0.209 19.144 19.000 -0.109 0.000 1.067 284 A HN 0.854 nan 8.150 nan 0.000 0.489 285 F N 0.109 120.056 119.950 -0.004 0.000 2.667 285 F HA 0.297 4.823 4.527 -0.001 0.000 0.288 285 F C 0.644 176.584 175.800 0.233 0.000 1.086 285 F CA 0.251 58.263 58.000 0.019 0.000 1.297 285 F CB 0.461 39.355 39.000 -0.175 0.000 1.059 285 F HN 0.597 nan 8.300 nan 0.000 0.624 286 I N -2.233 118.580 120.570 0.405 0.000 3.042 286 I HA 0.582 4.752 4.170 -0.001 0.000 0.310 286 I C 0.035 176.362 176.117 0.351 0.000 1.117 286 I CA -0.962 60.563 61.300 0.375 0.000 1.003 286 I CB 1.815 40.049 38.000 0.389 0.000 1.228 286 I HN -0.067 nan 8.210 nan 0.000 0.443 287 T N 0.048 114.770 114.554 0.279 0.000 2.766 287 T HA 0.208 4.558 4.350 -0.001 0.000 0.295 287 T C -0.078 174.801 174.700 0.299 0.000 1.024 287 T CA -0.046 62.233 62.100 0.297 0.000 1.018 287 T CB 0.438 69.408 68.868 0.171 0.000 1.002 287 T HN 0.533 nan 8.240 nan 0.000 0.532 288 Y N 2.927 123.242 120.300 0.025 0.000 2.811 288 Y HA 0.088 4.637 4.550 -0.001 0.000 0.334 288 Y C 1.580 177.341 175.900 -0.232 0.000 1.247 288 Y CA -1.004 56.823 58.100 -0.456 0.000 1.526 288 Y CB 0.461 38.684 38.460 -0.394 0.000 1.284 288 Y HN 0.685 nan 8.280 nan 0.000 0.586 289 M N 4.642 123.829 119.600 -0.689 0.000 2.495 289 M HA 0.246 4.725 4.480 -0.001 0.000 0.237 289 M C -0.585 175.420 176.300 -0.490 0.000 1.131 289 M CA 0.987 56.038 55.300 -0.413 0.000 1.032 289 M CB -0.242 32.233 32.600 -0.209 0.000 1.513 289 M HN 0.551 nan 8.290 nan 0.000 0.488 290 R N 1.369 121.309 120.500 -0.933 0.000 2.278 290 R HA 0.527 4.867 4.340 -0.001 0.000 0.322 290 R C -0.772 175.355 176.300 -0.288 0.000 1.058 290 R CA -0.032 55.736 56.100 -0.554 0.000 0.991 290 R CB 1.003 30.987 30.300 -0.528 0.000 1.140 290 R HN 0.203 nan 8.270 nan 0.000 0.518 291 T N 0.385 114.882 114.554 -0.095 0.000 2.932 291 T HA 0.095 4.444 4.350 -0.001 0.000 0.318 291 T C -0.651 174.074 174.700 0.042 0.000 1.265 291 T CA -0.772 61.358 62.100 0.050 0.000 1.036 291 T CB 1.344 70.265 68.868 0.088 0.000 1.209 291 T HN 0.614 nan 8.240 nan 0.000 0.484 292 D N 1.663 122.078 120.400 0.025 0.000 2.402 292 D HA 0.254 4.893 4.640 -0.001 0.000 0.216 292 D C 0.358 176.675 176.300 0.028 0.000 1.128 292 D CA -0.229 53.782 54.000 0.019 0.000 0.833 292 D CB 0.400 41.181 40.800 -0.032 0.000 0.971 292 D HN 0.262 nan 8.370 nan 0.000 0.503 293 S N -0.397 115.339 115.700 0.060 0.000 2.503 293 S HA 0.455 4.924 4.470 -0.001 0.000 0.301 293 S C 0.666 175.308 174.600 0.070 0.000 1.087 293 S CA -0.423 57.817 58.200 0.066 0.000 1.042 293 S CB 1.434 64.699 63.200 0.108 0.000 1.043 293 S HN 0.188 nan 8.310 nan 0.000 0.489 294 T N 1.021 115.606 114.554 0.052 0.000 3.145 294 T HA 0.291 4.640 4.350 -0.001 0.000 0.255 294 T C 0.608 175.339 174.700 0.052 0.000 1.039 294 T CA -0.375 61.752 62.100 0.046 0.000 0.928 294 T CB -0.179 68.695 68.868 0.011 0.000 1.029 294 T HN 0.580 nan 8.240 nan 0.000 0.554 295 R N 1.373 121.910 120.500 0.062 0.000 2.570 295 R HA 0.363 4.702 4.340 -0.001 0.000 0.277 295 R C -1.117 175.235 176.300 0.087 0.000 1.039 295 R CA -0.046 56.095 56.100 0.068 0.000 1.065 295 R CB 0.374 30.714 30.300 0.068 0.000 0.964 295 R HN 0.177 nan 8.270 nan 0.000 0.428 296 V N 4.400 124.374 119.914 0.099 0.000 2.448 296 V HA 0.174 4.293 4.120 -0.001 0.000 0.295 296 V C 0.179 176.346 176.094 0.121 0.000 1.025 296 V CA -0.797 61.583 62.300 0.134 0.000 0.859 296 V CB 1.581 33.536 31.823 0.220 0.000 0.988 296 V HN 1.019 nan 8.190 nan 0.000 0.431 297 S N 2.205 117.979 115.700 0.124 0.000 2.576 297 S HA 0.062 4.531 4.470 -0.001 0.000 0.272 297 S C 0.728 175.415 174.600 0.146 0.000 1.352 297 S CA -0.175 58.102 58.200 0.129 0.000 1.021 297 S CB 0.727 64.014 63.200 0.144 0.000 0.887 297 S HN 0.695 nan 8.310 nan 0.000 0.542 298 D N 0.481 120.960 120.400 0.133 0.000 2.117 298 D HA -0.096 4.543 4.640 -0.001 0.000 0.197 298 D C 1.473 177.858 176.300 0.142 0.000 0.987 298 D CA 1.579 55.650 54.000 0.117 0.000 0.829 298 D CB -0.566 40.294 40.800 0.100 0.000 0.961 298 D HN 0.789 nan 8.370 nan 0.000 0.460 299 Y N 1.440 121.783 120.300 0.072 0.000 2.128 299 Y HA -0.269 4.281 4.550 -0.001 0.000 0.284 299 Y C 2.235 178.202 175.900 0.112 0.000 1.154 299 Y CA 2.144 60.293 58.100 0.082 0.000 1.149 299 Y CB -0.288 38.212 38.460 0.068 0.000 0.976 299 Y HN -0.037 nan 8.280 nan 0.000 0.505 300 A N 0.148 123.111 122.820 0.238 0.000 1.930 300 A HA -0.161 4.159 4.320 -0.001 0.000 0.217 300 A C 2.183 179.896 177.584 0.216 0.000 1.175 300 A CA 1.751 53.916 52.037 0.213 0.000 0.627 300 A CB -0.528 18.591 19.000 0.199 0.000 0.815 300 A HN 0.531 nan 8.150 nan 0.000 0.443 301 K N -0.644 119.853 120.400 0.162 0.000 2.057 301 K HA -0.192 4.128 4.320 -0.001 0.000 0.207 301 K C 2.120 178.734 176.600 0.024 0.000 1.049 301 K CA 1.609 57.952 56.287 0.093 0.000 0.931 301 K CB -0.082 32.457 32.500 0.065 0.000 0.714 301 K HN 0.496 nan 8.250 nan 0.000 0.440 302 E N 1.272 121.464 120.200 -0.013 0.000 2.072 302 E HA -0.165 4.184 4.350 -0.001 0.000 0.191 302 E C 1.776 178.351 176.600 -0.041 0.000 0.985 302 E CA 1.326 57.701 56.400 -0.041 0.000 0.801 302 E CB 0.063 29.726 29.700 -0.062 0.000 0.750 302 E HN 0.132 nan 8.360 nan 0.000 0.452 303 E N 0.221 120.362 120.200 -0.098 0.000 2.118 303 E HA -0.190 4.159 4.350 -0.001 0.000 0.195 303 E C 1.964 178.591 176.600 0.046 0.000 0.992 303 E CA 1.209 57.633 56.400 0.039 0.000 0.804 303 E CB -0.455 29.255 29.700 0.017 0.000 0.741 303 E HN 0.387 nan 8.360 nan 0.000 0.458 304 A N 1.506 124.332 122.820 0.011 0.000 1.898 304 A HA -0.168 4.152 4.320 -0.001 0.000 0.216 304 A C 2.180 179.717 177.584 -0.078 0.000 1.181 304 A CA 1.257 53.241 52.037 -0.087 0.000 0.620 304 A CB -0.412 18.475 19.000 -0.188 0.000 0.819 304 A HN 0.119 nan 8.150 nan 0.000 0.442 305 R N -0.172 120.311 120.500 -0.030 0.000 2.091 305 R HA -0.153 4.187 4.340 -0.001 0.000 0.238 305 R C 1.850 178.177 176.300 0.046 0.000 1.136 305 R CA 1.583 57.688 56.100 0.008 0.000 0.959 305 R CB -0.469 29.841 30.300 0.018 0.000 0.856 305 R HN 0.512 nan 8.270 nan 0.000 0.437 306 N N 1.055 119.801 118.700 0.078 0.000 2.106 306 N HA -0.155 4.584 4.740 -0.001 0.000 0.188 306 N C 1.830 177.440 175.510 0.166 0.000 1.029 306 N CA 0.909 54.053 53.050 0.156 0.000 0.848 306 N CB -0.359 38.280 38.487 0.253 0.000 1.007 306 N HN 0.145 nan 8.380 nan 0.000 0.423 307 L N 0.860 122.106 121.223 0.039 0.000 2.017 307 L HA -0.061 4.278 4.340 -0.001 0.000 0.208 307 L C 1.999 178.836 176.870 -0.054 0.000 1.073 307 L CA 1.145 55.895 54.840 -0.149 0.000 0.745 307 L CB -0.229 41.502 42.059 -0.548 0.000 0.894 307 L HN 0.076 nan 8.230 nan 0.000 0.432 308 I N -0.901 119.672 120.570 0.005 0.000 2.179 308 I HA -0.317 3.852 4.170 -0.001 0.000 0.242 308 I C 2.357 178.562 176.117 0.146 0.000 1.088 308 I CA 1.773 63.160 61.300 0.145 0.000 1.357 308 I CB -0.644 37.455 38.000 0.165 0.000 1.051 308 I HN 0.272 nan 8.210 nan 0.000 0.409 309 T N 0.046 114.669 114.554 0.115 0.000 2.699 309 T HA -0.278 4.072 4.350 -0.001 0.000 0.268 309 T C 1.816 176.567 174.700 0.086 0.000 1.036 309 T CA 1.961 64.130 62.100 0.115 0.000 1.147 309 T CB -0.289 68.635 68.868 0.094 0.000 0.862 309 T HN 0.523 nan 8.240 nan 0.000 0.446 310 E N 0.269 120.504 120.200 0.059 0.000 2.076 310 E HA -0.080 4.270 4.350 -0.001 0.000 0.190 310 E C 2.132 178.706 176.600 -0.043 0.000 0.979 310 E CA 0.916 57.339 56.400 0.037 0.000 0.807 310 E CB 0.022 29.776 29.700 0.090 0.000 0.761 310 E HN 0.333 nan 8.360 nan 0.000 0.454 311 V N -0.073 119.738 119.914 -0.171 0.000 2.500 311 V HA -0.061 4.059 4.120 -0.001 0.000 0.243 311 V C 1.616 177.395 176.094 -0.524 0.000 1.039 311 V CA 1.152 63.196 62.300 -0.428 0.000 1.053 311 V CB -0.303 31.077 31.823 -0.739 0.000 0.695 311 V HN 0.230 nan 8.190 nan 0.000 0.463 312 F N 0.148 120.063 119.950 -0.057 0.000 2.602 312 F HA 0.619 5.146 4.527 -0.001 0.000 0.284 312 F C 1.226 177.035 175.800 0.015 0.000 1.111 312 F CA 0.413 58.307 58.000 -0.176 0.000 1.405 312 F CB -0.013 38.705 39.000 -0.469 0.000 1.121 312 F HN 0.240 nan 8.300 nan 0.000 0.603 313 G N 0.869 109.830 108.800 0.269 0.000 2.525 313 G HA2 -0.089 3.870 3.960 -0.001 0.000 0.685 313 G HA3 -0.089 3.870 3.960 -0.001 0.000 0.685 313 G C 0.425 175.508 174.900 0.305 0.000 1.285 313 G CA -0.226 45.043 45.100 0.282 0.000 0.849 313 G HN 0.326 nan 8.290 nan 0.000 0.653 314 E N -0.019 120.296 120.200 0.191 0.000 2.268 314 E HA -0.151 4.199 4.350 -0.001 0.000 0.195 314 E C 1.762 178.441 176.600 0.131 0.000 0.995 314 E CA 1.459 57.945 56.400 0.144 0.000 0.836 314 E CB -0.056 29.694 29.700 0.083 0.000 0.763 314 E HN 0.686 nan 8.360 nan 0.000 0.491 315 E N 0.779 121.054 120.200 0.126 0.000 2.409 315 E HA -0.199 4.151 4.350 -0.001 0.000 0.198 315 E C 0.838 177.458 176.600 0.032 0.000 1.024 315 E CA 0.717 57.112 56.400 -0.008 0.000 0.861 315 E CB -0.429 29.182 29.700 -0.149 0.000 0.788 315 E HN 0.530 nan 8.360 nan 0.000 0.521 316 Y N 0.814 121.248 120.300 0.224 0.000 2.511 316 Y HA 0.122 4.671 4.550 -0.001 0.000 0.279 316 Y C 0.884 176.856 175.900 0.121 0.000 1.157 316 Y CA -0.091 58.144 58.100 0.225 0.000 1.300 316 Y CB 0.740 39.298 38.460 0.163 0.000 1.052 316 Y HN -0.191 nan 8.280 nan 0.000 0.529 317 V N 1.155 121.190 119.914 0.202 0.000 2.455 317 V HA 0.252 4.372 4.120 -0.001 0.000 0.273 317 V C 1.007 177.139 176.094 0.063 0.000 1.045 317 V CA -0.481 61.884 62.300 0.109 0.000 0.976 317 V CB 0.248 32.120 31.823 0.081 0.000 0.993 317 V HN 0.340 nan 8.190 nan 0.000 0.475 334 H N 0.763 119.849 119.070 0.027 0.000 2.505 334 H HA 0.680 5.235 4.556 -0.001 0.000 0.355 334 H C 0.022 175.380 175.328 0.050 0.000 1.179 334 H CA 0.620 56.695 56.048 0.045 0.000 1.343 334 H CB 0.877 30.665 29.762 0.043 0.000 1.501 334 H HN 0.570 nan 8.280 nan 0.000 0.569 335 E N 0.400 120.690 120.200 0.151 0.000 2.336 335 E HA 0.652 5.002 4.350 -0.001 0.000 0.267 335 E C -0.879 175.786 176.600 0.109 0.000 0.906 335 E CA -1.202 55.264 56.400 0.110 0.000 0.781 335 E CB 1.508 31.259 29.700 0.086 0.000 1.261 335 E HN 0.777 nan 8.360 nan 0.000 0.436 336 A N 2.878 125.752 122.820 0.091 0.000 2.536 336 A HA 0.173 4.492 4.320 -0.001 0.000 0.234 336 A C 0.123 177.757 177.584 0.083 0.000 1.076 336 A CA 0.103 52.194 52.037 0.090 0.000 0.769 336 A CB -0.099 18.956 19.000 0.091 0.000 1.020 336 A HN 0.607 nan 8.150 nan 0.000 0.508 337 I N 1.692 122.330 120.570 0.114 0.000 2.363 337 I HA 0.377 4.546 4.170 -0.001 0.000 0.292 337 I C 0.632 176.827 176.117 0.130 0.000 1.075 337 I CA 0.146 61.521 61.300 0.125 0.000 1.333 337 I CB -0.102 37.980 38.000 0.138 0.000 1.415 337 I HN 0.846 nan 8.210 nan 0.000 0.502 338 R N 6.102 126.628 120.500 0.043 0.000 2.734 338 R HA 0.646 4.986 4.340 -0.001 0.000 0.271 338 R C -3.194 173.088 176.300 -0.031 0.000 1.021 338 R CA -2.003 54.017 56.100 -0.133 0.000 0.893 338 R CB 0.740 30.648 30.300 -0.652 0.000 1.244 338 R HN 0.067 nan 8.270 nan 0.000 0.464 339 P HA 0.008 nan 4.420 nan 0.000 0.268 339 P C 0.522 177.891 177.300 0.116 0.000 1.205 339 P CA -0.149 63.094 63.100 0.240 0.000 0.771 339 P CB 0.956 32.889 31.700 0.388 0.000 0.858 340 T N -1.208 113.468 114.554 0.203 0.000 2.821 340 T HA -0.111 4.239 4.350 -0.001 0.000 0.267 340 T C 0.734 175.542 174.700 0.180 0.000 1.046 340 T CA 1.040 63.223 62.100 0.138 0.000 1.139 340 T CB -0.498 68.422 68.868 0.086 0.000 0.871 340 T HN 0.386 nan 8.240 nan 0.000 0.454 341 N N 0.474 119.317 118.700 0.238 0.000 2.576 341 N HA 0.287 5.026 4.740 -0.001 0.000 0.269 341 N C 0.462 176.223 175.510 0.419 0.000 1.058 341 N CA -0.432 52.801 53.050 0.306 0.000 0.860 341 N CB 1.668 40.291 38.487 0.226 0.000 1.249 341 N HN -0.029 nan 8.380 nan 0.000 0.525 342 V N 3.482 123.614 119.914 0.363 0.000 2.568 342 V HA -0.159 3.961 4.120 -0.001 0.000 0.253 342 V C 1.115 177.438 176.094 0.381 0.000 1.072 342 V CA 1.762 64.271 62.300 0.349 0.000 1.084 342 V CB -0.688 31.190 31.823 0.093 0.000 0.676 342 V HN 0.629 nan 8.190 nan 0.000 0.469 343 F N -1.158 119.011 119.950 0.365 0.000 2.699 343 F HA 0.119 4.646 4.527 -0.001 0.000 0.298 343 F C 1.320 177.282 175.800 0.271 0.000 1.154 343 F CA 0.373 58.545 58.000 0.287 0.000 1.457 343 F CB -0.304 38.803 39.000 0.177 0.000 1.106 343 F HN 0.181 nan 8.300 nan 0.000 0.585 344 M N 2.113 121.986 119.600 0.454 0.000 2.725 344 M HA 0.143 4.623 4.480 -0.001 0.000 0.322 344 M C 0.486 177.008 176.300 0.369 0.000 1.393 344 M CA -0.496 55.026 55.300 0.370 0.000 1.452 344 M CB -0.799 31.989 32.600 0.312 0.000 1.242 344 M HN 0.089 nan 8.290 nan 0.000 0.487 345 T N 2.863 117.496 114.554 0.133 0.000 2.813 345 T HA 0.344 4.693 4.350 -0.001 0.000 0.297 345 T C -1.928 172.620 174.700 -0.254 0.000 1.036 345 T CA -1.311 60.586 62.100 -0.339 0.000 1.044 345 T CB 0.297 69.008 68.868 -0.262 0.000 0.993 345 T HN 0.418 nan 8.240 nan 0.000 0.535 346 P HA -0.106 nan 4.420 nan 0.000 0.216 346 P C 1.484 178.747 177.300 -0.062 0.000 1.150 346 P CA 1.148 64.157 63.100 -0.151 0.000 0.843 346 P CB 0.087 31.631 31.700 -0.261 0.000 0.787 347 E N -0.445 119.683 120.200 -0.120 0.000 2.038 347 E HA -0.226 4.123 4.350 -0.001 0.000 0.195 347 E C 2.045 178.623 176.600 -0.037 0.000 1.000 347 E CA 1.150 57.508 56.400 -0.070 0.000 0.803 347 E CB -0.312 29.344 29.700 -0.073 0.000 0.750 347 E HN 0.085 nan 8.360 nan 0.000 0.448 348 E N 0.087 120.287 120.200 -0.001 0.000 2.070 348 E HA -0.236 4.113 4.350 -0.001 0.000 0.197 348 E C 2.001 178.653 176.600 0.086 0.000 1.004 348 E CA 1.186 57.621 56.400 0.058 0.000 0.805 348 E CB -0.468 29.322 29.700 0.150 0.000 0.744 348 E HN 0.375 nan 8.360 nan 0.000 0.451 349 A N 0.810 123.714 122.820 0.139 0.000 1.978 349 A HA -0.112 4.207 4.320 -0.001 0.000 0.220 349 A C 2.421 179.992 177.584 -0.022 0.000 1.170 349 A CA 1.823 53.943 52.037 0.139 0.000 0.636 349 A CB -0.943 18.042 19.000 -0.025 0.000 0.810 349 A HN 0.334 nan 8.150 nan 0.000 0.448 350 G N -0.433 108.328 108.800 -0.065 0.000 2.509 350 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.218 350 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.218 350 G C 1.477 176.269 174.900 -0.179 0.000 1.124 350 G CA 0.857 45.895 45.100 -0.104 0.000 0.776 350 G HN 0.637 nan 8.290 nan 0.000 0.547 351 K N -0.797 119.406 120.400 -0.329 0.000 2.283 351 K HA -0.012 4.308 4.320 -0.001 0.000 0.202 351 K C 1.352 177.647 176.600 -0.507 0.000 1.048 351 K CA 0.846 56.830 56.287 -0.504 0.000 0.948 351 K CB -0.042 31.932 32.500 -0.876 0.000 0.742 351 K HN 0.501 nan 8.250 nan 0.000 0.458 352 Y N -0.140 120.138 120.300 -0.036 0.000 2.483 352 Y HA 0.265 4.814 4.550 -0.001 0.000 0.258 352 Y C 0.633 176.447 175.900 -0.144 0.000 1.083 352 Y CA -0.369 57.706 58.100 -0.041 0.000 1.283 352 Y CB 0.544 39.064 38.460 0.100 0.000 1.178 352 Y HN -0.188 nan 8.280 nan 0.000 0.515 353 L N 1.743 122.911 121.223 -0.091 0.000 2.325 353 L HA 0.340 4.680 4.340 -0.001 0.000 0.278 353 L C -0.153 176.664 176.870 -0.089 0.000 1.023 353 L CA -1.198 53.541 54.840 -0.169 0.000 0.811 353 L CB 1.222 43.103 42.059 -0.296 0.000 1.249 353 L HN 0.164 nan 8.230 nan 0.000 0.431 354 N N -0.001 118.659 118.700 -0.066 0.000 2.317 354 N HA -0.033 4.707 4.740 -0.001 0.000 0.245 354 N C 0.961 176.462 175.510 -0.015 0.000 1.294 354 N CA 0.124 53.152 53.050 -0.035 0.000 0.924 354 N CB 0.495 38.965 38.487 -0.027 0.000 1.186 354 N HN 0.638 nan 8.380 nan 0.000 0.495 355 S N -0.844 114.857 115.700 0.002 0.000 2.370 355 S HA -0.213 4.257 4.470 -0.001 0.000 0.226 355 S C 1.009 175.659 174.600 0.085 0.000 1.033 355 S CA 1.365 59.583 58.200 0.030 0.000 1.011 355 S CB -0.544 62.671 63.200 0.026 0.000 0.852 355 S HN 0.585 nan 8.310 nan 0.000 0.457 356 D N 1.316 121.769 120.400 0.089 0.000 2.123 356 D HA -0.024 4.615 4.640 -0.001 0.000 0.200 356 D C 2.385 178.817 176.300 0.220 0.000 0.976 356 D CA 1.179 55.297 54.000 0.196 0.000 0.831 356 D CB -0.559 40.222 40.800 -0.032 0.000 0.974 356 D HN 0.609 nan 8.370 nan 0.000 0.469 357 Q N 0.449 120.302 119.800 0.089 0.000 2.096 357 Q HA -0.160 4.180 4.340 -0.001 0.000 0.204 357 Q C 2.145 178.195 176.000 0.084 0.000 0.982 357 Q CA 1.150 56.990 55.803 0.061 0.000 0.850 357 Q CB -0.002 28.707 28.738 -0.047 0.000 0.901 357 Q HN 0.176 nan 8.270 nan 0.000 0.422 358 K N 1.088 121.520 120.400 0.054 0.000 2.057 358 K HA -0.172 4.148 4.320 -0.001 0.000 0.207 358 K C 1.858 178.537 176.600 0.132 0.000 1.049 358 K CA 1.199 57.533 56.287 0.078 0.000 0.931 358 K CB 0.107 32.622 32.500 0.024 0.000 0.714 358 K HN 0.043 nan 8.250 nan 0.000 0.440 359 K N 0.533 121.006 120.400 0.122 0.000 2.044 359 K HA -0.192 4.127 4.320 -0.001 0.000 0.210 359 K C 2.149 178.800 176.600 0.085 0.000 1.049 359 K CA 1.449 57.785 56.287 0.082 0.000 0.927 359 K CB -0.226 32.307 32.500 0.056 0.000 0.713 359 K HN 0.068 nan 8.250 nan 0.000 0.443 360 L N 0.199 121.524 121.223 0.170 0.000 2.056 360 L HA -0.185 4.155 4.340 -0.001 0.000 0.207 360 L C 2.249 179.251 176.870 0.219 0.000 1.078 360 L CA 1.523 56.470 54.840 0.177 0.000 0.749 360 L CB -0.536 41.688 42.059 0.274 0.000 0.901 360 L HN 0.163 nan 8.230 nan 0.000 0.433 361 Y N 0.554 120.936 120.300 0.137 0.000 2.128 361 Y HA -0.302 4.247 4.550 -0.001 0.000 0.284 361 Y C 2.626 178.677 175.900 0.252 0.000 1.154 361 Y CA 2.240 60.446 58.100 0.176 0.000 1.149 361 Y CB -0.319 38.191 38.460 0.082 0.000 0.976 361 Y HN 0.443 nan 8.280 nan 0.000 0.505 362 E N -0.313 119.958 120.200 0.117 0.000 2.058 362 E HA -0.263 4.087 4.350 -0.001 0.000 0.194 362 E C 2.169 178.886 176.600 0.195 0.000 0.997 362 E CA 1.454 57.905 56.400 0.085 0.000 0.801 362 E CB -0.461 29.285 29.700 0.077 0.000 0.746 362 E HN 0.457 nan 8.360 nan 0.000 0.450 363 L N 0.932 122.278 121.223 0.205 0.000 2.012 363 L HA -0.177 4.163 4.340 -0.001 0.000 0.210 363 L C 2.152 179.326 176.870 0.505 0.000 1.073 363 L CA 1.715 56.758 54.840 0.338 0.000 0.748 363 L CB -0.394 41.816 42.059 0.251 0.000 0.891 363 L HN 0.280 nan 8.230 nan 0.000 0.431 364 I N -2.066 118.743 120.570 0.399 0.000 2.226 364 I HA -0.321 3.848 4.170 -0.001 0.000 0.245 364 I C 2.285 178.573 176.117 0.285 0.000 1.100 364 I CA 1.745 63.308 61.300 0.438 0.000 1.374 364 I CB -0.449 37.733 38.000 0.302 0.000 1.057 364 I HN 0.499 nan 8.210 nan 0.000 0.413 365 W N 2.289 123.554 121.300 -0.058 0.000 2.354 365 W HA -0.225 4.434 4.660 -0.001 0.000 0.315 365 W C 2.523 179.101 176.519 0.098 0.000 1.206 365 W CA 1.614 58.916 57.345 -0.071 0.000 1.290 365 W CB -0.024 29.230 29.460 -0.344 0.000 1.152 365 W HN -0.135 nan 8.180 nan 0.000 0.489 366 K N -0.258 120.417 120.400 0.458 0.000 2.057 366 K HA -0.225 4.095 4.320 -0.001 0.000 0.207 366 K C 2.072 178.792 176.600 0.199 0.000 1.049 366 K CA 1.634 58.146 56.287 0.374 0.000 0.931 366 K CB -0.393 32.418 32.500 0.519 0.000 0.714 366 K HN -0.044 nan 8.250 nan 0.000 0.440 367 R N 0.808 121.381 120.500 0.122 0.000 2.083 367 R HA -0.165 4.174 4.340 -0.001 0.000 0.237 367 R C 1.998 178.077 176.300 -0.368 0.000 1.137 367 R CA 1.520 57.344 56.100 -0.460 0.000 0.951 367 R CB -0.656 29.059 30.300 -0.975 0.000 0.851 367 R HN 0.197 nan 8.270 nan 0.000 0.434 368 F N 0.003 119.758 119.950 -0.326 0.000 2.113 368 F HA -0.077 4.450 4.527 -0.001 0.000 0.297 368 F C 1.758 177.360 175.800 -0.330 0.000 1.103 368 F CA 1.261 59.082 58.000 -0.299 0.000 1.248 368 F CB -0.708 38.158 39.000 -0.224 0.000 0.999 368 F HN 0.122 nan 8.300 nan 0.000 0.475 369 L N 0.911 121.768 121.223 -0.610 0.000 2.012 369 L HA -0.079 4.261 4.340 -0.001 0.000 0.210 369 L C 2.584 179.177 176.870 -0.461 0.000 1.073 369 L CA 2.144 56.560 54.840 -0.706 0.000 0.748 369 L CB -1.446 40.123 42.059 -0.817 0.000 0.891 369 L HN 0.214 nan 8.230 nan 0.000 0.431 370 A N -1.058 121.585 122.820 -0.294 0.000 1.908 370 A HA -0.270 4.050 4.320 -0.001 0.000 0.218 370 A C 2.491 179.919 177.584 -0.260 0.000 1.181 370 A CA 2.232 54.180 52.037 -0.148 0.000 0.627 370 A CB -1.218 17.793 19.000 0.018 0.000 0.818 370 A HN 0.657 nan 8.150 nan 0.000 0.445 371 S N -1.000 114.460 115.700 -0.400 0.000 2.440 371 S HA -0.172 4.298 4.470 -0.001 0.000 0.238 371 S C 1.514 175.915 174.600 -0.332 0.000 1.010 371 S CA 1.431 59.397 58.200 -0.390 0.000 0.972 371 S CB -0.291 62.688 63.200 -0.368 0.000 0.774 371 S HN 0.571 nan 8.310 nan 0.000 0.501 372 Q N 0.176 119.740 119.800 -0.395 0.000 2.319 372 Q HA 0.414 4.753 4.340 -0.001 0.000 0.202 372 Q C 0.297 176.198 176.000 -0.165 0.000 0.896 372 Q CA 0.189 55.803 55.803 -0.315 0.000 0.942 372 Q CB -0.003 28.446 28.738 -0.483 0.000 1.083 372 Q HN 0.653 nan 8.270 nan 0.000 0.510 373 M N 0.255 119.787 119.600 -0.113 0.000 2.494 373 M HA 0.267 4.746 4.480 -0.001 0.000 0.300 373 M C 0.433 176.773 176.300 0.065 0.000 1.189 373 M CA -0.638 54.672 55.300 0.017 0.000 0.982 373 M CB 0.953 33.582 32.600 0.049 0.000 1.534 373 M HN -0.349 nan 8.290 nan 0.000 0.488 374 K N 1.470 121.950 120.400 0.134 0.000 2.414 374 K HA 0.205 4.524 4.320 -0.001 0.000 0.272 374 K C -2.398 174.334 176.600 0.220 0.000 0.993 374 K CA -1.177 55.205 56.287 0.157 0.000 0.964 374 K CB -0.203 32.438 32.500 0.235 0.000 0.925 374 K HN 0.248 nan 8.250 nan 0.000 0.487 375 P HA -0.083 nan 4.420 nan 0.000 0.267 375 P C -0.219 177.273 177.300 0.320 0.000 1.201 375 P CA 0.192 63.464 63.100 0.286 0.000 0.775 375 P CB 0.386 32.187 31.700 0.167 0.000 0.854 376 S N 1.689 117.631 115.700 0.404 0.000 2.617 376 S HA 0.330 4.799 4.470 -0.001 0.000 0.269 376 S C -0.345 174.457 174.600 0.336 0.000 1.292 376 S CA -0.531 57.816 58.200 0.244 0.000 1.010 376 S CB 0.536 63.880 63.200 0.240 0.000 0.944 376 S HN 0.412 nan 8.310 nan 0.000 0.536 377 Q N 0.808 120.745 119.800 0.228 0.000 2.337 377 Q HA 0.529 4.868 4.340 -0.001 0.000 0.270 377 Q C -1.806 174.246 176.000 0.086 0.000 1.043 377 Q CA -0.444 55.475 55.803 0.193 0.000 0.794 377 Q CB 2.048 30.864 28.738 0.131 0.000 1.281 377 Q HN 0.809 nan 8.270 nan 0.000 0.446 378 Y N -0.072 120.299 120.300 0.118 0.000 2.581 378 Y HA 0.315 4.864 4.550 -0.001 0.000 0.345 378 Y C -0.374 175.570 175.900 0.073 0.000 1.036 378 Y CA -0.967 57.210 58.100 0.128 0.000 1.042 378 Y CB 2.249 40.848 38.460 0.231 0.000 1.289 378 Y HN 0.477 nan 8.280 nan 0.000 0.471 379 E N 1.628 121.968 120.200 0.233 0.000 2.156 379 E HA 0.178 4.527 4.350 -0.001 0.000 0.279 379 E C -1.145 175.560 176.600 0.175 0.000 0.965 379 E CA -0.647 55.845 56.400 0.153 0.000 0.789 379 E CB 1.500 31.264 29.700 0.107 0.000 1.098 379 E HN 0.454 nan 8.360 nan 0.000 0.397 380 E N 2.562 122.837 120.200 0.125 0.000 2.156 380 E HA 0.194 4.544 4.350 -0.001 0.000 0.279 380 E C -1.113 175.538 176.600 0.084 0.000 0.965 380 E CA -0.460 56.004 56.400 0.107 0.000 0.789 380 E CB 1.053 30.791 29.700 0.064 0.000 1.098 380 E HN 0.261 nan 8.360 nan 0.000 0.397 381 T N 5.405 120.020 114.554 0.102 0.000 2.743 381 T HA 0.340 4.690 4.350 -0.001 0.000 0.292 381 T C -0.275 174.455 174.700 0.049 0.000 0.972 381 T CA -0.577 61.570 62.100 0.078 0.000 0.967 381 T CB 0.515 69.446 68.868 0.104 0.000 0.926 381 T HN 0.341 nan 8.240 nan 0.000 0.459 382 R N 3.156 123.646 120.500 -0.016 0.000 2.229 382 R HA 0.568 4.907 4.340 -0.001 0.000 0.328 382 R C -0.689 175.556 176.300 -0.093 0.000 1.009 382 R CA -0.569 55.464 56.100 -0.111 0.000 0.864 382 R CB 0.721 30.971 30.300 -0.084 0.000 1.085 382 R HN 0.630 nan 8.270 nan 0.000 0.453 383 F N -0.725 119.118 119.950 -0.179 0.000 2.588 383 F HA 0.733 5.260 4.527 -0.001 0.000 0.314 383 F C -0.946 174.834 175.800 -0.033 0.000 1.069 383 F CA -1.410 56.468 58.000 -0.203 0.000 0.931 383 F CB 1.210 39.874 39.000 -0.560 0.000 1.260 383 F HN 0.012 nan 8.300 nan 0.000 0.465 384 V N 3.529 123.577 119.914 0.224 0.000 2.588 384 V HA 0.536 4.656 4.120 -0.001 0.000 0.304 384 V C -0.408 175.846 176.094 0.267 0.000 1.042 384 V CA -0.765 61.655 62.300 0.200 0.000 0.877 384 V CB 1.609 33.489 31.823 0.095 0.000 0.996 384 V HN 0.781 nan 8.190 nan 0.000 0.425 385 L N 5.179 126.578 121.223 0.293 0.000 2.334 385 L HA 0.812 5.151 4.340 -0.001 0.000 0.273 385 L C -0.015 176.993 176.870 0.231 0.000 1.013 385 L CA -0.811 54.158 54.840 0.214 0.000 0.816 385 L CB 1.921 44.059 42.059 0.132 0.000 1.278 385 L HN 0.788 nan 8.230 nan 0.000 0.431 386 R N -0.598 119.996 120.500 0.156 0.000 2.807 386 R HA 0.665 5.004 4.340 -0.001 0.000 0.276 386 R C -0.550 175.838 176.300 0.147 0.000 0.979 386 R CA -0.762 55.434 56.100 0.160 0.000 0.928 386 R CB 1.420 31.771 30.300 0.085 0.000 1.191 386 R HN 0.633 nan 8.270 nan 0.000 0.471 387 T N -0.842 113.827 114.554 0.192 0.000 2.856 387 T HA 0.141 4.491 4.350 -0.001 0.000 0.306 387 T C 0.801 175.541 174.700 0.067 0.000 1.062 387 T CA -0.656 61.528 62.100 0.140 0.000 1.083 387 T CB 0.929 69.930 68.868 0.221 0.000 0.984 387 T HN 0.686 nan 8.240 nan 0.000 0.542 388 K N 0.508 120.932 120.400 0.041 0.000 2.283 388 K HA -0.080 4.239 4.320 -0.001 0.000 0.202 388 K C 1.502 178.112 176.600 0.016 0.000 1.048 388 K CA 1.367 57.665 56.287 0.019 0.000 0.948 388 K CB -0.148 32.356 32.500 0.007 0.000 0.742 388 K HN 0.801 nan 8.250 nan 0.000 0.458 389 D N -0.598 119.816 120.400 0.023 0.000 2.349 389 D HA -0.000 4.639 4.640 -0.001 0.000 0.224 389 D C 1.092 177.381 176.300 -0.019 0.000 1.029 389 D CA 0.696 54.698 54.000 0.003 0.000 0.879 389 D CB -0.021 40.783 40.800 0.007 0.000 0.906 389 D HN 0.207 nan 8.370 nan 0.000 0.528 390 G N 0.879 109.673 108.800 -0.010 0.000 2.168 390 G HA2 -0.451 3.509 3.960 -0.001 0.000 0.263 390 G HA3 -0.451 3.509 3.960 -0.001 0.000 0.263 390 G C 0.990 175.830 174.900 -0.100 0.000 0.977 390 G CA 0.728 45.808 45.100 -0.033 0.000 0.659 390 G HN 0.537 nan 8.290 nan 0.000 0.533 391 K N -1.165 119.133 120.400 -0.169 0.000 2.116 391 K HA 0.208 4.528 4.320 -0.001 0.000 0.203 391 K C 0.208 176.409 176.600 -0.665 0.000 1.052 391 K CA 0.762 56.773 56.287 -0.461 0.000 0.952 391 K CB 0.041 32.178 32.500 -0.605 0.000 0.729 391 K HN 0.442 nan 8.250 nan 0.000 0.446 392 Y N -0.238 120.045 120.300 -0.028 0.000 2.499 392 Y HA 0.456 5.006 4.550 -0.001 0.000 0.347 392 Y C -0.537 175.263 175.900 -0.166 0.000 0.987 392 Y CA -1.089 56.930 58.100 -0.136 0.000 1.044 392 Y CB 1.951 40.344 38.460 -0.112 0.000 1.245 392 Y HN -0.249 nan 8.280 nan 0.000 0.461 393 R N 1.690 122.059 120.500 -0.219 0.000 2.807 393 R HA 0.744 5.083 4.340 -0.001 0.000 0.276 393 R C -1.944 174.013 176.300 -0.572 0.000 0.979 393 R CA -0.882 55.102 56.100 -0.193 0.000 0.928 393 R CB 1.931 32.185 30.300 -0.076 0.000 1.191 393 R HN 0.520 nan 8.270 nan 0.000 0.471 394 F N 0.710 120.710 119.950 0.084 0.000 2.561 394 F HA 0.483 5.010 4.527 -0.001 0.000 0.313 394 F C -0.121 175.727 175.800 0.080 0.000 1.126 394 F CA -0.946 57.106 58.000 0.087 0.000 0.918 394 F CB 1.997 41.059 39.000 0.104 0.000 1.199 394 F HN 0.069 nan 8.300 nan 0.000 0.444 395 K N 1.575 122.066 120.400 0.151 0.000 2.259 395 K HA 0.882 5.202 4.320 -0.001 0.000 0.249 395 K C -0.320 176.179 176.600 -0.169 0.000 0.942 395 K CA -1.046 55.222 56.287 -0.032 0.000 0.816 395 K CB 2.628 35.089 32.500 -0.066 0.000 1.155 395 K HN 0.864 nan 8.250 nan 0.000 0.428 396 G N 0.164 108.561 108.800 -0.673 0.000 2.649 396 G HA2 0.580 4.539 3.960 -0.001 0.000 0.290 396 G HA3 0.580 4.539 3.960 -0.001 0.000 0.290 396 G C -1.254 172.941 174.900 -1.176 0.000 1.426 396 G CA -0.564 44.002 45.100 -0.889 0.000 0.794 396 G HN 0.519 nan 8.290 nan 0.000 0.483 397 T N -2.898 111.344 114.554 -0.520 0.000 2.903 397 T HA 0.784 5.133 4.350 -0.001 0.000 0.299 397 T C -1.380 173.406 174.700 0.143 0.000 1.093 397 T CA -0.943 61.045 62.100 -0.187 0.000 1.002 397 T CB 1.917 70.732 68.868 -0.088 0.000 1.127 397 T HN 1.535 nan 8.240 nan 0.000 0.488 398 V N 2.030 122.081 119.914 0.229 0.000 2.971 398 V HA 0.692 4.811 4.120 -0.001 0.000 0.309 398 V C -1.618 174.582 176.094 0.177 0.000 1.130 398 V CA -1.145 61.291 62.300 0.227 0.000 0.964 398 V CB 1.951 33.958 31.823 0.305 0.000 1.029 398 V HN 1.017 nan 8.190 nan 0.000 0.427 399 L N 4.844 126.165 121.223 0.163 0.000 2.331 399 L HA 0.666 5.005 4.340 -0.001 0.000 0.275 399 L C -0.390 176.640 176.870 0.267 0.000 1.022 399 L CA -0.595 54.374 54.840 0.215 0.000 0.812 399 L CB 1.829 43.980 42.059 0.153 0.000 1.257 399 L HN 0.584 nan 8.230 nan 0.000 0.435 400 K N 3.150 123.726 120.400 0.294 0.000 2.376 400 K HA 0.299 4.619 4.320 -0.001 0.000 0.257 400 K C -0.753 175.949 176.600 0.170 0.000 0.939 400 K CA -0.762 55.652 56.287 0.212 0.000 0.809 400 K CB 1.507 34.083 32.500 0.126 0.000 1.121 400 K HN 0.398 nan 8.250 nan 0.000 0.425 401 K N 5.301 125.690 120.400 -0.018 0.000 2.379 401 K HA 0.096 4.415 4.320 -0.001 0.000 0.284 401 K C 0.308 176.747 176.600 -0.268 0.000 1.044 401 K CA 0.027 55.990 56.287 -0.540 0.000 0.974 401 K CB 0.546 32.725 32.500 -0.534 0.000 0.962 401 K HN 0.670 nan 8.250 nan 0.000 0.474 402 I N 3.630 124.042 120.570 -0.264 0.000 2.729 402 I HA 0.080 4.249 4.170 -0.001 0.000 0.256 402 I C 0.102 176.227 176.117 0.013 0.000 1.115 402 I CA 0.081 61.334 61.300 -0.079 0.000 1.446 402 I CB 0.279 38.266 38.000 -0.021 0.000 1.176 402 I HN 0.456 nan 8.210 nan 0.000 0.446 403 F N 2.004 121.808 119.950 -0.243 0.000 2.588 403 F HA 0.213 4.740 4.527 -0.001 0.000 0.318 403 F C 0.236 175.912 175.800 -0.207 0.000 1.155 403 F CA -1.744 56.135 58.000 -0.202 0.000 0.967 403 F CB 0.995 39.887 39.000 -0.180 0.000 1.236 403 F HN 0.038 nan 8.300 nan 0.000 0.455 404 D N 2.835 122.779 120.400 -0.759 0.000 2.224 404 D HA 0.134 4.774 4.640 -0.001 0.000 0.205 404 D C 1.586 177.443 176.300 -0.738 0.000 0.965 404 D CA 1.206 54.844 54.000 -0.602 0.000 0.852 404 D CB -0.667 39.920 40.800 -0.355 0.000 0.947 404 D HN 0.903 nan 8.370 nan 0.000 0.494 405 G N 1.713 109.684 108.800 -1.383 0.000 2.684 405 G HA2 -0.452 3.507 3.960 -0.001 0.000 0.332 405 G HA3 -0.452 3.507 3.960 -0.001 0.000 0.332 405 G C 0.979 175.734 174.900 -0.242 0.000 1.306 405 G CA 1.813 46.485 45.100 -0.713 0.000 1.002 405 G HN 0.577 nan 8.290 nan 0.000 0.545 406 Y N 0.372 120.612 120.300 -0.099 0.000 2.403 406 Y HA 0.187 4.737 4.550 -0.001 0.000 0.291 406 Y C 2.464 178.323 175.900 -0.068 0.000 1.143 406 Y CA 1.831 59.879 58.100 -0.085 0.000 1.257 406 Y CB -0.519 37.903 38.460 -0.063 0.000 0.984 406 Y HN 0.595 nan 8.280 nan 0.000 0.550 407 E N 0.936 120.579 120.200 -0.929 0.000 2.333 407 E HA -0.170 4.179 4.350 -0.001 0.000 0.198 407 E C 1.849 178.260 176.600 -0.315 0.000 1.007 407 E CA 0.789 56.812 56.400 -0.630 0.000 0.845 407 E CB -0.107 29.244 29.700 -0.583 0.000 0.766 407 E HN 0.564 nan 8.360 nan 0.000 0.507 408 K N 0.388 120.589 120.400 -0.332 0.000 2.209 408 K HA -0.133 4.186 4.320 -0.001 0.000 0.204 408 K C 1.629 178.079 176.600 -0.249 0.000 1.048 408 K CA 0.881 56.969 56.287 -0.331 0.000 0.940 408 K CB 0.321 32.470 32.500 -0.586 0.000 0.729 408 K HN -0.016 nan 8.250 nan 0.000 0.451 409 V N -0.980 118.816 119.914 -0.197 0.000 2.806 409 V HA -0.007 4.112 4.120 -0.001 0.000 0.239 409 V C 0.543 176.717 176.094 0.134 0.000 1.113 409 V CA 0.079 62.378 62.300 -0.001 0.000 1.137 409 V CB 0.125 31.940 31.823 -0.014 0.000 0.865 409 V HN 0.383 nan 8.190 nan 0.000 0.482 410 W N 3.745 125.029 121.300 -0.026 0.000 2.226 410 W HA 0.299 4.959 4.660 -0.001 0.000 0.379 410 W C -0.448 176.059 176.519 -0.020 0.000 0.923 410 W CA -0.816 56.551 57.345 0.036 0.000 1.524 410 W CB 0.374 29.930 29.460 0.159 0.000 1.552 410 W HN 0.107 nan 8.180 nan 0.000 0.337 411 K N 3.710 123.952 120.400 -0.263 0.000 2.416 411 K HA 0.144 4.463 4.320 -0.001 0.000 0.283 411 K C -0.075 176.382 176.600 -0.238 0.000 1.037 411 K CA 0.373 56.527 56.287 -0.222 0.000 0.995 411 K CB 0.869 33.256 32.500 -0.188 0.000 0.938 411 K HN 0.218 nan 8.250 nan 0.000 0.475 412 T N 2.962 117.423 114.554 -0.156 0.000 2.928 412 T HA 0.237 4.587 4.350 -0.001 0.000 0.296 412 T C -0.681 173.954 174.700 -0.108 0.000 1.000 412 T CA -0.917 61.109 62.100 -0.123 0.000 0.989 412 T CB 1.756 70.570 68.868 -0.090 0.000 1.005 412 T HN 0.252 nan 8.240 nan 0.000 0.442 413 E N 2.629 122.766 120.200 -0.105 0.000 2.171 413 E HA 0.552 4.902 4.350 -0.001 0.000 0.271 413 E C -0.172 176.363 176.600 -0.109 0.000 0.916 413 E CA -0.622 55.730 56.400 -0.081 0.000 0.774 413 E CB 2.303 31.963 29.700 -0.066 0.000 1.128 413 E HN 0.475 nan 8.360 nan 0.000 0.403 414 R N 1.290 121.727 120.500 -0.104 0.000 2.912 414 R HA 0.319 4.659 4.340 -0.001 0.000 0.262 414 R C -0.090 176.167 176.300 -0.072 0.000 1.057 414 R CA -1.082 54.922 56.100 -0.161 0.000 0.981 414 R CB 1.026 31.117 30.300 -0.347 0.000 1.201 414 R HN 0.224 nan 8.270 nan 0.000 0.484 415 N N 1.524 120.184 118.700 -0.066 0.000 2.605 415 N HA -0.008 4.732 4.740 -0.001 0.000 0.282 415 N C -1.036 174.497 175.510 0.040 0.000 1.206 415 N CA 0.108 53.156 53.050 -0.004 0.000 1.074 415 N CB 0.120 38.612 38.487 0.009 0.000 1.434 415 N HN 0.516 nan 8.380 nan 0.000 0.506 416 T N -0.625 113.967 114.554 0.063 0.000 2.934 416 T HA 0.888 5.237 4.350 -0.001 0.000 0.283 416 T C 0.680 175.432 174.700 0.087 0.000 1.005 416 T CA -0.332 61.834 62.100 0.110 0.000 1.041 416 T CB 2.023 70.978 68.868 0.143 0.000 1.042 416 T HN 0.390 nan 8.240 nan 0.000 0.505 417 G N 0.379 109.240 108.800 0.101 0.000 2.360 417 G HA2 0.448 4.407 3.960 -0.001 0.000 0.276 417 G HA3 0.448 4.407 3.960 -0.001 0.000 0.276 417 G C -2.046 172.907 174.900 0.089 0.000 1.256 417 G CA -0.748 44.396 45.100 0.075 0.000 0.890 417 G HN 0.738 nan 8.290 nan 0.000 0.486 418 E N -0.741 119.498 120.200 0.066 0.000 2.272 418 E HA 0.545 4.895 4.350 -0.001 0.000 0.269 418 E C -1.851 174.795 176.600 0.078 0.000 0.877 418 E CA -0.605 55.825 56.400 0.050 0.000 0.755 418 E CB 2.737 32.417 29.700 -0.033 0.000 1.192 418 E HN 0.330 nan 8.360 nan 0.000 0.422 419 F N 5.069 124.984 119.950 -0.058 0.000 2.564 419 F HA 0.314 4.840 4.527 -0.001 0.000 0.361 419 F C -1.739 173.960 175.800 -0.168 0.000 1.161 419 F CA -1.943 56.019 58.000 -0.064 0.000 1.198 419 F CB 1.202 40.218 39.000 0.028 0.000 1.424 419 F HN 0.222 nan 8.300 nan 0.000 0.517 420 P HA -0.012 nan 4.420 nan 0.000 0.236 420 P C 0.114 177.092 177.300 -0.536 0.000 1.177 420 P CA 0.524 63.290 63.100 -0.556 0.000 0.773 420 P CB -0.064 31.261 31.700 -0.625 0.000 0.878 421 F N 1.239 120.939 119.950 -0.418 0.000 2.496 421 F HA 0.170 4.697 4.527 -0.001 0.000 0.344 421 F C 1.409 177.204 175.800 -0.009 0.000 1.155 421 F CA 0.089 57.906 58.000 -0.306 0.000 1.302 421 F CB -0.001 38.646 39.000 -0.588 0.000 1.159 421 F HN -0.192 nan 8.300 nan 0.000 0.595 422 E N 0.414 120.752 120.200 0.230 0.000 2.263 422 E HA 0.199 4.549 4.350 -0.001 0.000 0.264 422 E C -0.750 175.975 176.600 0.209 0.000 0.923 422 E CA -0.937 55.593 56.400 0.217 0.000 0.802 422 E CB 1.288 31.065 29.700 0.128 0.000 1.228 422 E HN 0.552 nan 8.360 nan 0.000 0.417 423 E N 0.104 120.417 120.200 0.189 0.000 2.820 423 E HA 0.029 4.379 4.350 -0.001 0.000 0.251 423 E C 0.759 177.417 176.600 0.096 0.000 0.944 423 E CA 1.155 57.638 56.400 0.140 0.000 0.955 423 E CB -0.020 29.748 29.700 0.113 0.000 0.904 423 E HN 0.859 nan 8.360 nan 0.000 0.513 424 G N 3.320 112.167 108.800 0.078 0.000 2.217 424 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.246 424 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.246 424 G C 0.233 175.154 174.900 0.035 0.000 0.990 424 G CA 0.260 45.389 45.100 0.049 0.000 0.627 424 G HN 0.586 nan 8.290 nan 0.000 0.522 425 E N 1.612 121.840 120.200 0.046 0.000 2.360 425 E HA 0.512 4.861 4.350 -0.001 0.000 0.269 425 E C 0.957 177.533 176.600 -0.040 0.000 1.022 425 E CA 0.224 56.640 56.400 0.026 0.000 0.887 425 E CB 0.448 30.195 29.700 0.079 0.000 0.990 425 E HN 0.520 nan 8.360 nan 0.000 0.426 426 S N 2.240 117.907 115.700 -0.054 0.000 2.584 426 S HA 0.392 4.861 4.470 -0.001 0.000 0.273 426 S C -0.342 174.150 174.600 -0.180 0.000 1.311 426 S CA -0.960 57.175 58.200 -0.110 0.000 1.034 426 S CB 1.558 64.715 63.200 -0.073 0.000 0.939 426 S HN 0.280 nan 8.310 nan 0.000 0.513 427 V N 2.866 122.603 119.914 -0.294 0.000 2.444 427 V HA 0.683 4.802 4.120 -0.001 0.000 0.294 427 V C -0.168 175.765 176.094 -0.269 0.000 1.022 427 V CA -0.541 61.511 62.300 -0.414 0.000 0.850 427 V CB 1.300 32.639 31.823 -0.807 0.000 0.992 427 V HN 1.023 nan 8.190 nan 0.000 0.426 428 K N 5.637 125.945 120.400 -0.154 0.000 2.557 428 K HA 0.589 4.909 4.320 -0.001 0.000 0.257 428 K C -2.805 173.773 176.600 -0.036 0.000 0.933 428 K CA -1.064 55.167 56.287 -0.094 0.000 0.820 428 K CB 2.636 35.091 32.500 -0.076 0.000 1.330 428 K HN 0.627 nan 8.250 nan 0.000 0.432 429 P HA 0.314 nan 4.420 nan 0.000 0.276 429 P C -1.064 176.219 177.300 -0.029 0.000 1.244 429 P CA -0.622 62.459 63.100 -0.033 0.000 0.801 429 P CB 1.298 32.989 31.700 -0.015 0.000 1.006 430 V N 1.131 121.007 119.914 -0.063 0.000 2.735 430 V HA 0.302 4.422 4.120 -0.001 0.000 0.310 430 V C -0.111 175.944 176.094 -0.065 0.000 1.061 430 V CA -0.727 61.532 62.300 -0.067 0.000 0.913 430 V CB 2.325 34.034 31.823 -0.190 0.000 1.005 430 V HN 0.349 nan 8.190 nan 0.000 0.428 431 V N 4.748 124.638 119.914 -0.040 0.000 2.448 431 V HA 0.476 4.595 4.120 -0.001 0.000 0.295 431 V C -0.231 175.817 176.094 -0.076 0.000 1.025 431 V CA -0.605 61.665 62.300 -0.050 0.000 0.859 431 V CB 1.966 33.776 31.823 -0.022 0.000 0.988 431 V HN 0.613 nan 8.190 nan 0.000 0.431 432 V N 5.030 124.882 119.914 -0.103 0.000 2.439 432 V HA 0.465 4.584 4.120 -0.001 0.000 0.282 432 V C 0.080 176.126 176.094 -0.079 0.000 1.039 432 V CA -0.642 61.583 62.300 -0.125 0.000 0.913 432 V CB 1.611 33.339 31.823 -0.159 0.000 0.983 432 V HN 0.811 nan 8.190 nan 0.000 0.460 433 K N 5.066 125.432 120.400 -0.056 0.000 2.413 433 K HA 0.643 4.962 4.320 -0.001 0.000 0.257 433 K C -1.446 175.134 176.600 -0.033 0.000 0.946 433 K CA -0.571 55.695 56.287 -0.035 0.000 0.823 433 K CB 1.416 33.910 32.500 -0.010 0.000 1.109 433 K HN 0.616 nan 8.250 nan 0.000 0.427 434 I N 3.002 123.542 120.570 -0.050 0.000 2.433 434 I HA 0.288 4.458 4.170 -0.001 0.000 0.292 434 I C -0.696 175.422 176.117 0.001 0.000 1.001 434 I CA -0.686 60.580 61.300 -0.057 0.000 1.119 434 I CB 2.010 39.914 38.000 -0.160 0.000 1.289 434 I HN 0.608 nan 8.210 nan 0.000 0.438 435 E N 4.898 125.132 120.200 0.056 0.000 2.260 435 E HA 0.209 4.558 4.350 -0.001 0.000 0.266 435 E C -0.988 175.646 176.600 0.057 0.000 0.887 435 E CA -0.596 55.835 56.400 0.052 0.000 0.777 435 E CB 1.619 31.330 29.700 0.019 0.000 1.205 435 E HN 0.507 nan 8.360 nan 0.000 0.414 436 E N 3.195 123.429 120.200 0.057 0.000 2.366 436 E HA 0.049 4.399 4.350 -0.001 0.000 0.266 436 E C -0.609 175.885 176.600 -0.176 0.000 1.015 436 E CA 0.449 56.801 56.400 -0.081 0.000 0.906 436 E CB 0.644 30.359 29.700 0.024 0.000 0.979 436 E HN 0.449 nan 8.360 nan 0.000 0.443 437 Q N 2.628 122.187 119.800 -0.401 0.000 2.587 437 Q HA 0.422 4.761 4.340 -0.001 0.000 0.293 437 Q C -1.149 174.615 176.000 -0.393 0.000 1.083 437 Q CA -0.889 54.637 55.803 -0.462 0.000 0.792 437 Q CB 2.251 30.576 28.738 -0.688 0.000 1.484 437 Q HN 0.483 nan 8.270 nan 0.000 0.446 438 E N 0.866 120.998 120.200 -0.115 0.000 2.290 438 E HA 0.231 4.581 4.350 -0.001 0.000 0.274 438 E C -1.228 175.553 176.600 0.301 0.000 0.889 438 E CA -0.387 56.083 56.400 0.117 0.000 0.760 438 E CB 1.767 31.508 29.700 0.069 0.000 1.206 438 E HN 0.686 nan 8.360 nan 0.000 0.419 439 T N 1.233 116.041 114.554 0.423 0.000 2.937 439 T HA 0.176 4.526 4.350 -0.001 0.000 0.316 439 T C 0.062 174.974 174.700 0.353 0.000 1.079 439 T CA -0.151 62.178 62.100 0.382 0.000 1.131 439 T CB 0.735 69.816 68.868 0.356 0.000 1.000 439 T HN 0.304 nan 8.240 nan 0.000 0.549 440 K N 2.728 123.205 120.400 0.129 0.000 2.259 440 K HA 0.520 4.840 4.320 -0.001 0.000 0.249 440 K C -2.342 173.744 176.600 -0.857 0.000 0.942 440 K CA -2.269 53.904 56.287 -0.190 0.000 0.816 440 K CB 1.771 34.195 32.500 -0.126 0.000 1.155 440 K HN 0.525 nan 8.250 nan 0.000 0.428 441 P HA 0.095 nan 4.420 nan 0.000 0.274 441 P C -0.873 176.062 177.300 -0.608 0.000 1.256 441 P CA -0.423 61.888 63.100 -1.315 0.000 0.795 441 P CB 0.670 31.858 31.700 -0.854 0.000 1.038 442 K N 1.071 121.201 120.400 -0.449 0.000 2.414 442 K HA 0.125 4.444 4.320 -0.001 0.000 0.272 442 K C -1.660 174.746 176.600 -0.325 0.000 0.993 442 K CA -0.945 55.157 56.287 -0.308 0.000 0.964 442 K CB -0.411 31.936 32.500 -0.254 0.000 0.925 442 K HN 0.463 nan 8.250 nan 0.000 0.487 443 P HA 0.065 nan 4.420 nan 0.000 0.274 443 P C -0.713 176.352 177.300 -0.392 0.000 1.237 443 P CA -0.081 62.830 63.100 -0.315 0.000 0.793 443 P CB 0.678 32.285 31.700 -0.155 0.000 0.977 444 R N 0.516 120.726 120.500 -0.482 0.000 2.738 444 R HA 0.152 4.492 4.340 -0.001 0.000 0.268 444 R C 0.104 176.319 176.300 -0.143 0.000 1.062 444 R CA -0.053 55.803 56.100 -0.407 0.000 1.158 444 R CB -0.151 29.840 30.300 -0.513 0.000 1.046 444 R HN 0.434 nan 8.270 nan 0.000 0.493 445 Y N 0.406 120.702 120.300 -0.007 0.000 2.497 445 Y HA -0.026 4.524 4.550 -0.001 0.000 0.334 445 Y C 1.370 177.301 175.900 0.053 0.000 1.199 445 Y CA 0.215 58.325 58.100 0.017 0.000 1.425 445 Y CB 0.420 38.857 38.460 -0.039 0.000 1.291 445 Y HN 0.572 nan 8.280 nan 0.000 0.562 446 T N -1.953 112.676 114.554 0.125 0.000 2.937 446 T HA 0.295 4.645 4.350 -0.001 0.000 0.283 446 T C 0.903 175.437 174.700 -0.278 0.000 1.012 446 T CA -0.831 61.175 62.100 -0.157 0.000 0.997 446 T CB 1.254 69.928 68.868 -0.323 0.000 1.136 446 T HN 0.698 nan 8.240 nan 0.000 0.551 447 E N 0.583 120.470 120.200 -0.522 0.000 2.097 447 E HA -0.133 4.217 4.350 -0.001 0.000 0.196 447 E C 2.234 178.592 176.600 -0.402 0.000 1.000 447 E CA 1.428 57.581 56.400 -0.412 0.000 0.804 447 E CB -0.716 28.772 29.700 -0.353 0.000 0.740 447 E HN 0.876 nan 8.360 nan 0.000 0.454 448 G N 0.999 109.410 108.800 -0.649 0.000 2.404 448 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.215 448 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.215 448 G C 1.723 176.540 174.900 -0.140 0.000 1.174 448 G CA 1.179 46.116 45.100 -0.272 0.000 0.780 448 G HN 0.396 nan 8.290 nan 0.000 0.537 449 S N 0.127 115.773 115.700 -0.089 0.000 2.453 449 S HA 0.037 4.506 4.470 -0.001 0.000 0.231 449 S C 2.225 176.861 174.600 0.060 0.000 1.005 449 S CA 1.055 59.288 58.200 0.055 0.000 0.949 449 S CB -0.162 63.132 63.200 0.156 0.000 0.774 449 S HN 0.170 nan 8.310 nan 0.000 0.510 450 L N 1.951 123.115 121.223 -0.099 0.000 2.056 450 L HA 0.115 4.455 4.340 -0.001 0.000 0.207 450 L C 2.450 179.153 176.870 -0.279 0.000 1.078 450 L CA 1.341 55.935 54.840 -0.410 0.000 0.749 450 L CB -0.826 40.997 42.059 -0.393 0.000 0.901 450 L HN 0.210 nan 8.230 nan 0.000 0.433 451 V N 0.043 119.826 119.914 -0.218 0.000 2.332 451 V HA -0.347 3.773 4.120 -0.001 0.000 0.248 451 V C 2.666 178.580 176.094 -0.299 0.000 1.055 451 V CA 2.131 64.262 62.300 -0.281 0.000 1.038 451 V CB -0.733 30.907 31.823 -0.304 0.000 0.651 451 V HN 0.536 nan 8.190 nan 0.000 0.450 452 K N 0.006 120.297 120.400 -0.182 0.000 2.044 452 K HA -0.305 4.014 4.320 -0.001 0.000 0.210 452 K C 2.181 178.735 176.600 -0.078 0.000 1.049 452 K CA 2.266 58.486 56.287 -0.111 0.000 0.927 452 K CB -0.131 32.353 32.500 -0.025 0.000 0.713 452 K HN 0.448 nan 8.250 nan 0.000 0.443 453 E N 0.413 120.574 120.200 -0.065 0.000 2.072 453 E HA -0.137 4.213 4.350 -0.001 0.000 0.191 453 E C 1.922 178.489 176.600 -0.054 0.000 0.985 453 E CA 1.530 57.907 56.400 -0.038 0.000 0.801 453 E CB -0.034 29.636 29.700 -0.051 0.000 0.750 453 E HN 0.322 nan 8.360 nan 0.000 0.452 454 M N 0.114 119.663 119.600 -0.086 0.000 2.117 454 M HA -0.142 4.337 4.480 -0.001 0.000 0.262 454 M C 2.327 178.679 176.300 0.085 0.000 1.065 454 M CA 1.502 56.812 55.300 0.016 0.000 1.114 454 M CB -0.239 32.414 32.600 0.089 0.000 1.361 454 M HN 0.099 nan 8.290 nan 0.000 0.408 455 E N 0.664 120.869 120.200 0.010 0.000 2.051 455 E HA -0.223 4.127 4.350 -0.001 0.000 0.192 455 E C 2.052 178.673 176.600 0.035 0.000 0.991 455 E CA 1.273 57.700 56.400 0.045 0.000 0.799 455 E CB -0.202 29.431 29.700 -0.112 0.000 0.748 455 E HN 0.403 nan 8.360 nan 0.000 0.449 456 R N 0.391 120.894 120.500 0.006 0.000 2.096 456 R HA -0.140 4.200 4.340 -0.001 0.000 0.240 456 R C 2.316 178.632 176.300 0.027 0.000 1.139 456 R CA 1.490 57.599 56.100 0.016 0.000 0.952 456 R CB -0.243 30.067 30.300 0.017 0.000 0.854 456 R HN 0.198 nan 8.270 nan 0.000 0.436 457 L N -0.537 120.706 121.223 0.032 0.000 2.592 457 L HA 0.234 4.573 4.340 -0.001 0.000 0.227 457 L C 1.061 177.956 176.870 0.042 0.000 1.127 457 L CA 0.421 55.283 54.840 0.037 0.000 0.884 457 L CB 0.402 42.482 42.059 0.036 0.000 1.065 457 L HN 0.611 nan 8.230 nan 0.000 0.457 458 G N 0.936 109.766 108.800 0.049 0.000 2.147 458 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.244 458 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.244 458 G C 0.073 174.998 174.900 0.041 0.000 1.005 458 G CA -0.318 44.808 45.100 0.044 0.000 0.713 458 G HN 0.155 nan 8.290 nan 0.000 0.515 459 I N 1.311 121.917 120.570 0.061 0.000 2.331 459 I HA 0.595 4.765 4.170 -0.001 0.000 0.292 459 I C 1.195 177.342 176.117 0.050 0.000 0.998 459 I CA 0.755 62.083 61.300 0.046 0.000 1.267 459 I CB 0.300 38.327 38.000 0.045 0.000 1.386 459 I HN 1.241 nan 8.210 nan 0.000 0.476 460 G N 7.010 115.790 108.800 -0.034 0.000 2.856 460 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.674 460 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.674 460 G C -0.333 174.335 174.900 -0.387 0.000 1.519 460 G CA -0.704 44.295 45.100 -0.169 0.000 0.940 460 G HN 0.579 nan 8.290 nan 0.000 0.564 461 R N 0.823 120.910 120.500 -0.690 0.000 2.885 461 R HA 0.531 4.871 4.340 -0.001 0.000 0.260 461 R C -1.793 173.911 176.300 -0.994 0.000 1.107 461 R CA -1.374 54.317 56.100 -0.681 0.000 0.978 461 R CB 0.415 30.529 30.300 -0.311 0.000 1.227 461 R HN 0.296 nan 8.270 nan 0.000 0.473 462 P HA -0.204 nan 4.420 nan 0.000 0.217 462 P C 1.031 178.217 177.300 -0.190 0.000 1.151 462 P CA 2.049 65.024 63.100 -0.208 0.000 0.849 462 P CB 0.172 31.828 31.700 -0.072 0.000 0.787 463 S N -2.360 113.225 115.700 -0.192 0.000 2.481 463 S HA -0.061 4.408 4.470 -0.001 0.000 0.231 463 S C 1.567 176.092 174.600 -0.124 0.000 0.996 463 S CA 1.511 59.641 58.200 -0.117 0.000 0.942 463 S CB -1.414 61.743 63.200 -0.071 0.000 0.768 463 S HN 0.297 nan 8.310 nan 0.000 0.520 464 T N -3.195 111.224 114.554 -0.226 0.000 3.043 464 T HA 0.336 4.686 4.350 -0.001 0.000 0.272 464 T C 1.036 175.665 174.700 -0.117 0.000 0.990 464 T CA -0.434 61.568 62.100 -0.164 0.000 0.897 464 T CB -0.479 68.292 68.868 -0.161 0.000 1.111 464 T HN 0.241 nan 8.240 nan 0.000 0.529 465 Y N 2.650 122.930 120.300 -0.034 0.000 2.114 465 Y HA 0.216 4.766 4.550 -0.001 0.000 0.284 465 Y C 3.016 178.895 175.900 -0.036 0.000 1.143 465 Y CA 1.068 59.144 58.100 -0.040 0.000 1.135 465 Y CB -1.099 37.334 38.460 -0.045 0.000 0.980 465 Y HN 0.388 nan 8.280 nan 0.000 0.499 466 A N -0.066 122.839 122.820 0.143 0.000 1.873 466 A HA -0.171 4.149 4.320 -0.001 0.000 0.215 466 A C 2.453 180.062 177.584 0.041 0.000 1.186 466 A CA 2.065 54.146 52.037 0.074 0.000 0.616 466 A CB -1.249 17.788 19.000 0.062 0.000 0.823 466 A HN 0.484 nan 8.150 nan 0.000 0.442 467 S N -0.780 114.935 115.700 0.026 0.000 2.419 467 S HA -0.147 4.322 4.470 -0.001 0.000 0.233 467 S C 1.796 176.404 174.600 0.012 0.000 1.016 467 S CA 1.917 60.125 58.200 0.013 0.000 0.974 467 S CB -1.114 62.088 63.200 0.002 0.000 0.786 467 S HN 0.485 nan 8.310 nan 0.000 0.492 468 T N 2.799 117.363 114.554 0.017 0.000 2.737 468 T HA 0.118 4.467 4.350 -0.001 0.000 0.265 468 T C 1.728 176.443 174.700 0.025 0.000 1.038 468 T CA 1.505 63.617 62.100 0.021 0.000 1.144 468 T CB -0.467 68.416 68.868 0.025 0.000 0.866 468 T HN 0.400 nan 8.240 nan 0.000 0.434 469 I N 0.838 121.422 120.570 0.023 0.000 2.179 469 I HA -0.186 3.984 4.170 -0.001 0.000 0.242 469 I C 2.680 178.806 176.117 0.015 0.000 1.088 469 I CA 1.337 62.645 61.300 0.013 0.000 1.357 469 I CB -0.332 37.667 38.000 -0.002 0.000 1.051 469 I HN 0.176 nan 8.210 nan 0.000 0.409 470 K N 1.231 121.639 120.400 0.015 0.000 2.063 470 K HA -0.241 4.078 4.320 -0.001 0.000 0.208 470 K C 2.285 178.884 176.600 -0.002 0.000 1.048 470 K CA 1.641 57.934 56.287 0.010 0.000 0.928 470 K CB -0.212 32.295 32.500 0.010 0.000 0.713 470 K HN 0.269 nan 8.250 nan 0.000 0.442 471 L N 1.158 122.379 121.223 -0.005 0.000 2.017 471 L HA -0.181 4.159 4.340 -0.001 0.000 0.208 471 L C 2.187 179.027 176.870 -0.051 0.000 1.073 471 L CA 1.166 55.991 54.840 -0.025 0.000 0.745 471 L CB -0.172 41.881 42.059 -0.009 0.000 0.894 471 L HN 0.222 nan 8.230 nan 0.000 0.432 472 L N -0.587 120.634 121.223 -0.003 0.000 2.046 472 L HA -0.258 4.081 4.340 -0.001 0.000 0.208 472 L C 2.518 179.387 176.870 -0.001 0.000 1.077 472 L CA 1.315 56.171 54.840 0.027 0.000 0.747 472 L CB -0.515 41.601 42.059 0.095 0.000 0.896 472 L HN 0.335 nan 8.230 nan 0.000 0.432 473 L N -0.560 120.668 121.223 0.009 0.000 2.056 473 L HA -0.175 4.164 4.340 -0.001 0.000 0.207 473 L C 2.278 179.140 176.870 -0.014 0.000 1.078 473 L CA 0.953 55.803 54.840 0.017 0.000 0.749 473 L CB -0.546 41.529 42.059 0.028 0.000 0.901 473 L HN 0.292 nan 8.230 nan 0.000 0.433 474 N N -0.221 118.456 118.700 -0.038 0.000 2.188 474 N HA -0.097 4.643 4.740 -0.001 0.000 0.184 474 N C 1.767 177.224 175.510 -0.088 0.000 1.018 474 N CA 0.854 53.876 53.050 -0.047 0.000 0.858 474 N CB -0.110 38.352 38.487 -0.041 0.000 0.989 474 N HN 0.136 nan 8.380 nan 0.000 0.426 475 R N -0.050 120.334 120.500 -0.192 0.000 2.307 475 R HA 0.101 4.440 4.340 -0.001 0.000 0.199 475 R C 0.817 176.961 176.300 -0.261 0.000 1.000 475 R CA 0.582 56.474 56.100 -0.346 0.000 1.023 475 R CB -0.462 29.320 30.300 -0.863 0.000 0.908 475 R HN 0.312 nan 8.270 nan 0.000 0.473 476 G N 0.476 109.215 108.800 -0.102 0.000 2.148 476 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.254 476 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.254 476 G C 0.441 175.441 174.900 0.166 0.000 0.981 476 G CA 0.311 45.433 45.100 0.037 0.000 0.670 476 G HN 0.277 nan 8.290 nan 0.000 0.528 477 Y N 0.006 120.338 120.300 0.052 0.000 2.337 477 Y HA 0.316 4.865 4.550 -0.001 0.000 0.293 477 Y C 2.022 177.944 175.900 0.036 0.000 1.123 477 Y CA 0.483 58.604 58.100 0.037 0.000 1.201 477 Y CB -0.064 38.417 38.460 0.035 0.000 1.011 477 Y HN 0.690 nan 8.280 nan 0.000 0.545 478 I N -2.509 118.181 120.570 0.200 0.000 2.934 478 I HA 0.579 4.749 4.170 -0.001 0.000 0.306 478 I C -0.753 175.442 176.117 0.131 0.000 1.110 478 I CA -1.288 60.104 61.300 0.153 0.000 1.019 478 I CB 2.977 41.058 38.000 0.134 0.000 1.227 478 I HN -0.319 nan 8.210 nan 0.000 0.434 479 K N 3.370 123.863 120.400 0.155 0.000 2.427 479 K HA 0.392 4.711 4.320 -0.001 0.000 0.252 479 K C -1.420 175.299 176.600 0.199 0.000 0.931 479 K CA -0.804 55.564 56.287 0.135 0.000 0.793 479 K CB 2.435 34.989 32.500 0.090 0.000 1.211 479 K HN 0.756 nan 8.250 nan 0.000 0.426 480 K N 5.182 125.675 120.400 0.154 0.000 2.211 480 K HA 0.351 4.671 4.320 -0.001 0.000 0.275 480 K C -1.072 175.626 176.600 0.163 0.000 1.024 480 K CA -0.414 55.984 56.287 0.185 0.000 0.887 480 K CB 0.579 33.158 32.500 0.131 0.000 1.084 480 K HN 0.520 nan 8.250 nan 0.000 0.463 481 I N 4.934 125.651 120.570 0.245 0.000 2.468 481 I HA 0.251 4.421 4.170 -0.001 0.000 0.284 481 I C -0.166 176.102 176.117 0.252 0.000 1.038 481 I CA -0.709 60.690 61.300 0.165 0.000 1.083 481 I CB 1.590 39.583 38.000 -0.013 0.000 1.223 481 I HN 0.766 nan 8.210 nan 0.000 0.443 482 R N 4.303 124.896 120.500 0.156 0.000 3.333 482 R HA -0.222 4.118 4.340 -0.001 0.000 0.256 482 R C 1.067 177.413 176.300 0.076 0.000 1.010 482 R CA 0.643 56.821 56.100 0.129 0.000 0.680 482 R CB -1.629 28.766 30.300 0.159 0.000 1.102 482 R HN 1.201 nan 8.270 nan 0.000 0.440 483 G N -1.860 106.980 108.800 0.068 0.000 2.245 483 G HA2 -0.392 3.568 3.960 -0.001 0.000 0.264 483 G HA3 -0.392 3.568 3.960 -0.001 0.000 0.264 483 G C -0.099 174.764 174.900 -0.062 0.000 0.985 483 G CA 0.716 45.824 45.100 0.014 0.000 0.625 483 G HN 0.403 nan 8.290 nan 0.000 0.536 484 Y N 0.124 120.527 120.300 0.171 0.000 2.352 484 Y HA 0.686 5.236 4.550 -0.001 0.000 0.326 484 Y C 0.953 176.947 175.900 0.157 0.000 1.166 484 Y CA -0.951 57.211 58.100 0.103 0.000 1.182 484 Y CB 1.127 39.605 38.460 0.030 0.000 1.216 484 Y HN 0.114 nan 8.280 nan 0.000 0.474 485 L N 3.989 125.335 121.223 0.205 0.000 2.295 485 L HA 0.452 4.792 4.340 -0.001 0.000 0.285 485 L C -1.213 175.671 176.870 0.023 0.000 1.035 485 L CA -0.696 54.252 54.840 0.179 0.000 0.806 485 L CB 0.629 42.769 42.059 0.134 0.000 1.214 485 L HN 0.582 nan 8.230 nan 0.000 0.426 486 Y N 3.059 123.417 120.300 0.096 0.000 2.446 486 Y HA 0.441 4.990 4.550 -0.001 0.000 0.345 486 Y C -2.125 173.808 175.900 0.055 0.000 0.984 486 Y CA -2.455 55.683 58.100 0.063 0.000 1.058 486 Y CB 2.014 40.502 38.460 0.046 0.000 1.220 486 Y HN 0.405 nan 8.280 nan 0.000 0.455 487 P HA 0.127 nan 4.420 nan 0.000 0.274 487 P C -0.466 176.889 177.300 0.091 0.000 1.237 487 P CA -0.190 62.974 63.100 0.106 0.000 0.793 487 P CB 1.561 33.291 31.700 0.049 0.000 0.977 488 T N -1.760 112.822 114.554 0.046 0.000 2.927 488 T HA 0.368 4.717 4.350 -0.001 0.000 0.286 488 T C 1.635 176.278 174.700 -0.096 0.000 1.040 488 T CA -0.887 61.215 62.100 0.004 0.000 1.010 488 T CB 0.480 69.375 68.868 0.045 0.000 1.177 488 T HN 0.127 nan 8.240 nan 0.000 0.546 489 I N 0.430 120.899 120.570 -0.169 0.000 2.118 489 I HA -0.140 4.029 4.170 -0.001 0.000 0.241 489 I C 2.647 178.504 176.117 -0.433 0.000 1.070 489 I CA 1.436 62.507 61.300 -0.382 0.000 1.327 489 I CB -0.967 36.714 38.000 -0.532 0.000 1.034 489 I HN 0.550 nan 8.210 nan 0.000 0.405 490 V N 1.136 120.918 119.914 -0.220 0.000 2.453 490 V HA -0.115 4.005 4.120 -0.001 0.000 0.247 490 V C 2.456 178.457 176.094 -0.155 0.000 1.048 490 V CA 1.957 64.217 62.300 -0.066 0.000 1.049 490 V CB -0.596 31.383 31.823 0.261 0.000 0.672 490 V HN 0.485 nan 8.190 nan 0.000 0.457 491 G N -0.512 108.231 108.800 -0.094 0.000 2.480 491 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.216 491 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.216 491 G C 1.804 176.558 174.900 -0.243 0.000 1.200 491 G CA 1.261 46.242 45.100 -0.199 0.000 0.782 491 G HN 0.543 nan 8.290 nan 0.000 0.554 492 S N -0.053 115.527 115.700 -0.200 0.000 2.370 492 S HA -0.122 4.347 4.470 -0.001 0.000 0.226 492 S C 2.481 176.916 174.600 -0.276 0.000 1.033 492 S CA 1.270 59.341 58.200 -0.214 0.000 1.011 492 S CB -0.327 62.748 63.200 -0.208 0.000 0.852 492 S HN 0.178 nan 8.310 nan 0.000 0.457 493 V N 1.351 121.048 119.914 -0.361 0.000 2.307 493 V HA -0.109 4.010 4.120 -0.001 0.000 0.245 493 V C 2.326 178.125 176.094 -0.491 0.000 1.045 493 V CA 1.288 63.354 62.300 -0.391 0.000 1.024 493 V CB -0.671 30.933 31.823 -0.365 0.000 0.651 493 V HN 0.332 nan 8.190 nan 0.000 0.449 494 V N -0.612 118.972 119.914 -0.550 0.000 2.343 494 V HA -0.329 3.790 4.120 -0.001 0.000 0.247 494 V C 2.375 178.342 176.094 -0.212 0.000 1.051 494 V CA 2.497 64.504 62.300 -0.488 0.000 1.036 494 V CB -0.619 30.912 31.823 -0.488 0.000 0.654 494 V HN 0.533 nan 8.190 nan 0.000 0.451 495 M N 0.738 120.210 119.600 -0.213 0.000 2.117 495 M HA -0.175 4.304 4.480 -0.001 0.000 0.262 495 M C 1.778 178.060 176.300 -0.030 0.000 1.065 495 M CA 2.251 57.489 55.300 -0.103 0.000 1.114 495 M CB -0.705 31.832 32.600 -0.104 0.000 1.361 495 M HN 0.453 nan 8.290 nan 0.000 0.408 496 D N -1.602 118.780 120.400 -0.030 0.000 2.117 496 D HA -0.250 4.389 4.640 -0.001 0.000 0.197 496 D C 1.953 178.319 176.300 0.110 0.000 0.987 496 D CA 1.435 55.466 54.000 0.052 0.000 0.829 496 D CB -0.317 40.544 40.800 0.102 0.000 0.961 496 D HN 0.514 nan 8.370 nan 0.000 0.460 497 Y N 0.931 121.244 120.300 0.021 0.000 2.097 497 Y HA -0.176 4.373 4.550 -0.001 0.000 0.282 497 Y C 1.945 177.960 175.900 0.191 0.000 1.152 497 Y CA 1.652 59.838 58.100 0.142 0.000 1.136 497 Y CB -0.455 38.130 38.460 0.208 0.000 0.975 497 Y HN 0.034 nan 8.280 nan 0.000 0.498 498 L N 0.007 121.311 121.223 0.135 0.000 2.042 498 L HA -0.256 4.083 4.340 -0.001 0.000 0.210 498 L C 2.371 179.285 176.870 0.073 0.000 1.076 498 L CA 2.004 56.905 54.840 0.102 0.000 0.749 498 L CB -0.688 41.426 42.059 0.092 0.000 0.893 498 L HN 0.291 nan 8.230 nan 0.000 0.432 499 E N 0.153 120.369 120.200 0.025 0.000 2.077 499 E HA -0.230 4.120 4.350 -0.001 0.000 0.193 499 E C 2.218 178.795 176.600 -0.038 0.000 0.989 499 E CA 1.178 57.580 56.400 0.003 0.000 0.800 499 E CB -0.011 29.690 29.700 0.001 0.000 0.746 499 E HN 0.416 nan 8.360 nan 0.000 0.452 500 K N 0.415 120.773 120.400 -0.069 0.000 2.057 500 K HA -0.074 4.245 4.320 -0.001 0.000 0.206 500 K C 1.931 178.418 176.600 -0.188 0.000 1.050 500 K CA 0.923 57.146 56.287 -0.107 0.000 0.935 500 K CB 0.166 32.613 32.500 -0.088 0.000 0.715 500 K HN -0.104 nan 8.250 nan 0.000 0.439 501 K N -0.503 119.724 120.400 -0.288 0.000 2.352 501 K HA 0.049 4.369 4.320 -0.001 0.000 0.194 501 K C 0.342 176.543 176.600 -0.664 0.000 1.038 501 K CA 0.750 56.760 56.287 -0.462 0.000 1.023 501 K CB 0.631 32.768 32.500 -0.604 0.000 0.840 501 K HN 0.219 nan 8.250 nan 0.000 0.519 502 Y N 0.810 121.011 120.300 -0.164 0.000 2.666 502 Y HA 0.068 4.618 4.550 -0.001 0.000 0.264 502 Y C 1.493 177.334 175.900 -0.098 0.000 1.054 502 Y CA -0.510 57.534 58.100 -0.093 0.000 1.121 502 Y CB 0.260 38.717 38.460 -0.005 0.000 1.190 502 Y HN -0.057 nan 8.280 nan 0.000 0.587 503 S N -0.486 115.180 115.700 -0.056 0.000 2.434 503 S HA -0.308 4.162 4.470 -0.001 0.000 0.240 503 S C 1.479 175.979 174.600 -0.166 0.000 1.052 503 S CA 2.107 60.252 58.200 -0.090 0.000 1.198 503 S CB -0.412 62.719 63.200 -0.114 0.000 1.124 503 S HN 0.435 nan 8.310 nan 0.000 0.426 504 D N 1.226 121.453 120.400 -0.289 0.000 2.104 504 D HA -0.056 4.584 4.640 -0.001 0.000 0.194 504 D C 2.172 178.075 176.300 -0.662 0.000 0.994 504 D CA 1.228 54.807 54.000 -0.702 0.000 0.830 504 D CB -0.746 39.645 40.800 -0.682 0.000 0.959 504 D HN 0.310 nan 8.370 nan 0.000 0.452 505 V N 0.878 120.705 119.914 -0.145 0.000 2.490 505 V HA -0.169 3.951 4.120 -0.001 0.000 0.250 505 V C 2.318 178.545 176.094 0.222 0.000 1.061 505 V CA 1.631 64.044 62.300 0.187 0.000 1.064 505 V CB -0.337 31.679 31.823 0.321 0.000 0.670 505 V HN 0.217 nan 8.190 nan 0.000 0.461 506 V N -1.370 118.620 119.914 0.128 0.000 3.542 506 V HA 0.270 4.389 4.120 -0.001 0.000 0.296 506 V C 1.049 177.181 176.094 0.064 0.000 1.364 506 V CA 0.120 62.493 62.300 0.122 0.000 1.118 506 V CB -0.450 31.441 31.823 0.114 0.000 0.972 506 V HN 0.511 nan 8.190 nan 0.000 0.430 507 S N -0.135 115.562 115.700 -0.006 0.000 2.566 507 S HA 0.200 4.669 4.470 -0.001 0.000 0.280 507 S C 1.181 175.829 174.600 0.080 0.000 1.343 507 S CA 0.304 58.500 58.200 -0.007 0.000 1.036 507 S CB 1.458 64.586 63.200 -0.121 0.000 0.866 507 S HN 0.257 nan 8.310 nan 0.000 0.526 508 V N 2.225 122.179 119.914 0.067 0.000 2.332 508 V HA -0.177 3.943 4.120 -0.001 0.000 0.248 508 V C 2.925 179.090 176.094 0.119 0.000 1.055 508 V CA 2.385 64.733 62.300 0.080 0.000 1.038 508 V CB -1.399 30.458 31.823 0.057 0.000 0.651 508 V HN 1.072 nan 8.190 nan 0.000 0.450 509 S N -0.407 115.383 115.700 0.149 0.000 2.348 509 S HA -0.190 4.280 4.470 -0.001 0.000 0.221 509 S C 1.903 176.692 174.600 0.316 0.000 1.033 509 S CA 1.768 60.096 58.200 0.212 0.000 1.010 509 S CB -0.395 62.950 63.200 0.242 0.000 0.891 509 S HN 0.458 nan 8.310 nan 0.000 0.442 510 F N 2.188 122.173 119.950 0.058 0.000 2.171 510 F HA 0.005 4.532 4.527 -0.001 0.000 0.300 510 F C 2.837 178.679 175.800 0.070 0.000 1.090 510 F CA 1.385 59.431 58.000 0.077 0.000 1.293 510 F CB -1.565 37.500 39.000 0.109 0.000 1.013 510 F HN 0.228 nan 8.300 nan 0.000 0.486 511 T N -0.022 114.675 114.554 0.239 0.000 2.708 511 T HA -0.186 4.164 4.350 -0.001 0.000 0.266 511 T C 2.321 177.062 174.700 0.068 0.000 1.037 511 T CA 1.473 63.649 62.100 0.126 0.000 1.146 511 T CB -0.757 68.171 68.868 0.099 0.000 0.865 511 T HN 0.261 nan 8.240 nan 0.000 0.435 512 A N 1.291 124.154 122.820 0.073 0.000 1.933 512 A HA -0.122 4.198 4.320 -0.001 0.000 0.218 512 A C 2.215 179.810 177.584 0.018 0.000 1.175 512 A CA 1.955 54.016 52.037 0.040 0.000 0.628 512 A CB -0.573 18.456 19.000 0.048 0.000 0.814 512 A HN 0.476 nan 8.150 nan 0.000 0.444 513 E N -0.737 119.476 120.200 0.021 0.000 2.047 513 E HA -0.199 4.150 4.350 -0.001 0.000 0.191 513 E C 1.872 178.450 176.600 -0.038 0.000 0.987 513 E CA 1.679 58.064 56.400 -0.025 0.000 0.799 513 E CB -0.353 29.300 29.700 -0.078 0.000 0.752 513 E HN 0.426 nan 8.360 nan 0.000 0.449 514 M N 0.862 120.447 119.600 -0.024 0.000 2.080 514 M HA -0.163 4.317 4.480 -0.001 0.000 0.260 514 M C 1.679 177.939 176.300 -0.066 0.000 1.068 514 M CA 1.741 57.012 55.300 -0.049 0.000 1.109 514 M CB -0.374 32.191 32.600 -0.058 0.000 1.342 514 M HN 0.080 nan 8.290 nan 0.000 0.405 515 E N 0.049 120.217 120.200 -0.053 0.000 2.070 515 E HA -0.279 4.071 4.350 -0.001 0.000 0.197 515 E C 2.136 178.701 176.600 -0.058 0.000 1.004 515 E CA 1.549 57.913 56.400 -0.061 0.000 0.805 515 E CB -0.586 29.084 29.700 -0.050 0.000 0.744 515 E HN 0.610 nan 8.360 nan 0.000 0.451 516 K N 0.604 120.978 120.400 -0.044 0.000 2.032 516 K HA -0.193 4.127 4.320 -0.001 0.000 0.209 516 K C 1.733 178.302 176.600 -0.052 0.000 1.048 516 K CA 1.724 57.985 56.287 -0.043 0.000 0.927 516 K CB 0.019 32.500 32.500 -0.033 0.000 0.712 516 K HN -0.026 nan 8.250 nan 0.000 0.441 517 D N 0.820 121.186 120.400 -0.056 0.000 2.104 517 D HA -0.178 4.461 4.640 -0.001 0.000 0.194 517 D C 1.955 178.213 176.300 -0.071 0.000 0.994 517 D CA 1.072 55.035 54.000 -0.061 0.000 0.830 517 D CB -0.220 40.542 40.800 -0.063 0.000 0.959 517 D HN 0.238 nan 8.370 nan 0.000 0.452 518 L N 0.777 121.951 121.223 -0.082 0.000 2.083 518 L HA -0.167 4.173 4.340 -0.001 0.000 0.209 518 L C 1.894 178.715 176.870 -0.082 0.000 1.083 518 L CA 0.954 55.740 54.840 -0.091 0.000 0.752 518 L CB -0.340 41.656 42.059 -0.104 0.000 0.899 518 L HN -0.070 nan 8.230 nan 0.000 0.433 519 D N 0.109 120.464 120.400 -0.075 0.000 2.144 519 D HA -0.163 4.476 4.640 -0.001 0.000 0.200 519 D C 2.102 178.365 176.300 -0.062 0.000 0.978 519 D CA 1.082 55.039 54.000 -0.072 0.000 0.833 519 D CB -0.011 40.748 40.800 -0.069 0.000 0.961 519 D HN 0.425 nan 8.370 nan 0.000 0.470 520 E N 0.228 120.394 120.200 -0.056 0.000 2.107 520 E HA -0.076 4.274 4.350 -0.001 0.000 0.191 520 E C 2.298 178.867 176.600 -0.052 0.000 0.982 520 E CA 0.298 56.669 56.400 -0.048 0.000 0.809 520 E CB 0.191 29.866 29.700 -0.042 0.000 0.756 520 E HN 0.053 nan 8.360 nan 0.000 0.459 521 V N 1.732 121.610 119.914 -0.061 0.000 2.287 521 V HA -0.312 3.807 4.120 -0.001 0.000 0.248 521 V C 2.408 178.461 176.094 -0.069 0.000 1.053 521 V CA 2.219 64.478 62.300 -0.068 0.000 1.027 521 V CB -0.489 31.284 31.823 -0.083 0.000 0.646 521 V HN 0.320 nan 8.190 nan 0.000 0.447 522 E N -0.068 120.089 120.200 -0.070 0.000 2.085 522 E HA -0.297 4.052 4.350 -0.001 0.000 0.194 522 E C 2.129 178.698 176.600 -0.051 0.000 0.994 522 E CA 1.659 58.020 56.400 -0.065 0.000 0.801 522 E CB -0.108 29.554 29.700 -0.064 0.000 0.743 522 E HN 0.709 nan 8.360 nan 0.000 0.453 523 Q N -1.003 118.769 119.800 -0.046 0.000 2.482 523 Q HA 0.070 4.410 4.340 -0.001 0.000 0.209 523 Q C 0.965 176.946 176.000 -0.032 0.000 0.961 523 Q CA 0.422 56.204 55.803 -0.034 0.000 0.945 523 Q CB 0.545 29.264 28.738 -0.032 0.000 1.012 523 Q HN 0.493 nan 8.270 nan 0.000 0.515 524 G N 1.542 110.319 108.800 -0.039 0.000 2.160 524 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.251 524 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.251 524 G C 0.564 175.447 174.900 -0.029 0.000 1.008 524 G CA 0.681 45.760 45.100 -0.035 0.000 0.724 524 G HN 0.340 nan 8.290 nan 0.000 0.514 525 K N -0.893 119.489 120.400 -0.031 0.000 2.355 525 K HA 0.246 4.566 4.320 -0.001 0.000 0.198 525 K C 1.038 177.622 176.600 -0.027 0.000 1.039 525 K CA 0.430 56.701 56.287 -0.026 0.000 1.075 525 K CB 0.525 33.010 32.500 -0.025 0.000 0.870 525 K HN 0.363 nan 8.250 nan 0.000 0.540 526 K N -0.224 120.157 120.400 -0.032 0.000 2.495 526 K HA 0.313 4.632 4.320 -0.001 0.000 0.268 526 K C -1.097 175.482 176.600 -0.035 0.000 1.008 526 K CA -0.688 55.581 56.287 -0.031 0.000 0.882 526 K CB 2.360 34.839 32.500 -0.036 0.000 1.443 526 K HN -0.253 nan 8.250 nan 0.000 0.447 527 T N 1.538 116.075 114.554 -0.029 0.000 2.795 527 T HA 0.015 4.364 4.350 -0.001 0.000 0.282 527 T C 0.686 175.363 174.700 -0.039 0.000 0.980 527 T CA -0.528 61.555 62.100 -0.029 0.000 1.012 527 T CB 0.996 69.858 68.868 -0.011 0.000 0.936 527 T HN 0.717 nan 8.240 nan 0.000 0.457 528 D N 3.397 123.765 120.400 -0.053 0.000 2.116 528 D HA -0.173 4.467 4.640 -0.001 0.000 0.193 528 D C 1.575 177.833 176.300 -0.069 0.000 0.998 528 D CA 1.325 55.279 54.000 -0.076 0.000 0.836 528 D CB 0.045 40.792 40.800 -0.089 0.000 0.951 528 D HN 0.231 nan 8.370 nan 0.000 0.449 529 K N 0.491 120.882 120.400 -0.015 0.000 2.103 529 K HA -0.017 4.302 4.320 -0.001 0.000 0.207 529 K C 2.475 179.103 176.600 0.047 0.000 1.048 529 K CA 0.494 56.809 56.287 0.048 0.000 0.930 529 K CB -0.543 32.018 32.500 0.101 0.000 0.716 529 K HN 0.420 nan 8.250 nan 0.000 0.444 530 I N 0.430 121.015 120.570 0.025 0.000 2.252 530 I HA -0.228 3.942 4.170 -0.001 0.000 0.245 530 I C 2.213 178.337 176.117 0.012 0.000 1.102 530 I CA 0.790 62.110 61.300 0.033 0.000 1.385 530 I CB -0.330 37.681 38.000 0.019 0.000 1.064 530 I HN -0.162 nan 8.210 nan 0.000 0.414 531 V N 1.299 121.196 119.914 -0.029 0.000 2.295 531 V HA -0.276 3.844 4.120 -0.001 0.000 0.246 531 V C 2.399 178.457 176.094 -0.061 0.000 1.049 531 V CA 1.754 64.028 62.300 -0.045 0.000 1.024 531 V CB -0.496 31.281 31.823 -0.077 0.000 0.648 531 V HN 0.357 nan 8.190 nan 0.000 0.447 532 L N -0.781 120.328 121.223 -0.191 0.000 2.027 532 L HA -0.134 4.205 4.340 -0.001 0.000 0.206 532 L C 2.778 179.459 176.870 -0.315 0.000 1.074 532 L CA 1.565 56.129 54.840 -0.460 0.000 0.745 532 L CB -0.614 40.841 42.059 -1.005 0.000 0.898 532 L HN 0.196 nan 8.230 nan 0.000 0.433 533 R N -0.054 120.436 120.500 -0.017 0.000 2.105 533 R HA -0.227 4.112 4.340 -0.001 0.000 0.239 533 R C 2.220 178.683 176.300 0.272 0.000 1.135 533 R CA 1.746 58.062 56.100 0.359 0.000 0.967 533 R CB -0.243 30.246 30.300 0.314 0.000 0.861 533 R HN 0.414 nan 8.270 nan 0.000 0.442 534 E N 0.145 120.444 120.200 0.163 0.000 2.046 534 E HA -0.193 4.157 4.350 -0.001 0.000 0.190 534 E C 1.704 178.403 176.600 0.165 0.000 0.982 534 E CA 0.922 57.402 56.400 0.134 0.000 0.800 534 E CB -0.135 29.612 29.700 0.079 0.000 0.756 534 E HN 0.235 nan 8.360 nan 0.000 0.449 535 F N 0.327 120.312 119.950 0.057 0.000 2.095 535 F HA -0.269 4.257 4.527 -0.001 0.000 0.298 535 F C 2.112 178.045 175.800 0.222 0.000 1.104 535 F CA 1.816 59.877 58.000 0.101 0.000 1.232 535 F CB -0.621 38.393 39.000 0.023 0.000 0.987 535 F HN 0.146 nan 8.300 nan 0.000 0.475 536 Y N 1.555 121.910 120.300 0.091 0.000 2.224 536 Y HA -0.180 4.369 4.550 -0.001 0.000 0.289 536 Y C 2.389 178.351 175.900 0.103 0.000 1.146 536 Y CA 1.891 60.063 58.100 0.121 0.000 1.182 536 Y CB -0.529 38.213 38.460 0.469 0.000 0.983 536 Y HN 0.143 nan 8.280 nan 0.000 0.524 537 E N -0.310 119.938 120.200 0.081 0.000 2.023 537 E HA -0.211 4.138 4.350 -0.001 0.000 0.196 537 E C 2.364 178.910 176.600 -0.090 0.000 1.003 537 E CA 1.612 58.008 56.400 -0.008 0.000 0.809 537 E CB -0.630 29.108 29.700 0.063 0.000 0.755 537 E HN 0.404 nan 8.360 nan 0.000 0.449 538 S N 0.873 116.535 115.700 -0.063 0.000 2.368 538 S HA -0.196 4.274 4.470 -0.001 0.000 0.226 538 S C 1.732 176.266 174.600 -0.109 0.000 1.044 538 S CA 1.505 59.677 58.200 -0.047 0.000 1.062 538 S CB -0.550 62.667 63.200 0.028 0.000 0.931 538 S HN 0.264 nan 8.310 nan 0.000 0.440 539 F N 2.709 122.403 119.950 -0.426 0.000 2.075 539 F HA -0.172 4.355 4.527 -0.001 0.000 0.297 539 F C 2.696 178.367 175.800 -0.215 0.000 1.113 539 F CA 1.771 59.550 58.000 -0.368 0.000 1.218 539 F CB -0.687 37.902 39.000 -0.684 0.000 0.984 539 F HN 0.287 nan 8.300 nan 0.000 0.472 540 S N -0.571 114.928 115.700 -0.336 0.000 2.447 540 S HA -0.158 4.312 4.470 -0.001 0.000 0.233 540 S C 2.140 176.616 174.600 -0.206 0.000 1.006 540 S CA 0.933 58.938 58.200 -0.326 0.000 0.957 540 S CB -1.198 61.638 63.200 -0.606 0.000 0.773 540 S HN 0.546 nan 8.310 nan 0.000 0.507 541 S N 1.973 117.556 115.700 -0.195 0.000 2.402 541 S HA -0.063 4.406 4.470 -0.001 0.000 0.229 541 S C 1.882 176.375 174.600 -0.179 0.000 1.021 541 S CA 0.912 59.024 58.200 -0.145 0.000 0.974 541 S CB -0.869 62.267 63.200 -0.107 0.000 0.800 541 S HN 0.991 nan 8.310 nan 0.000 0.484 542 V N -2.561 117.206 119.914 -0.244 0.000 3.565 542 V HA 0.463 4.583 4.120 -0.001 0.000 0.260 542 V C 0.633 176.494 176.094 -0.388 0.000 1.231 542 V CA -0.481 61.622 62.300 -0.328 0.000 1.100 542 V CB -1.089 30.502 31.823 -0.387 0.000 0.807 542 V HN 0.377 nan 8.190 nan 0.000 0.454 543 F N 3.553 123.215 119.950 -0.480 0.000 2.506 543 F HA 0.540 5.066 4.527 -0.001 0.000 0.371 543 F C -0.199 175.506 175.800 -0.158 0.000 1.078 543 F CA -0.972 56.813 58.000 -0.358 0.000 1.195 543 F CB 0.479 39.138 39.000 -0.569 0.000 1.099 543 F HN 0.210 nan 8.300 nan 0.000 0.548 544 D N 6.022 125.937 120.400 -0.808 0.000 2.454 544 D HA 0.197 4.836 4.640 -0.001 0.000 0.247 544 D C 0.893 176.755 176.300 -0.731 0.000 1.129 544 D CA -0.603 53.003 54.000 -0.656 0.000 0.877 544 D CB 0.811 41.427 40.800 -0.307 0.000 1.082 544 D HN 0.724 nan 8.370 nan 0.000 0.537 545 R N 2.623 122.616 120.500 -0.844 0.000 2.189 545 R HA 0.049 4.389 4.340 -0.001 0.000 0.218 545 R C 0.082 176.310 176.300 -0.119 0.000 1.074 545 R CA 0.712 56.555 56.100 -0.428 0.000 0.991 545 R CB -0.045 30.166 30.300 -0.149 0.000 0.883 545 R HN 0.085 nan 8.270 nan 0.000 0.457 546 N N 1.030 119.652 118.700 -0.131 0.000 2.268 546 N HA -0.003 4.736 4.740 -0.001 0.000 0.204 546 N C -0.855 174.626 175.510 -0.048 0.000 1.124 546 N CA 0.032 53.044 53.050 -0.063 0.000 0.838 546 N CB 0.174 38.624 38.487 -0.062 0.000 0.994 546 N HN 0.232 nan 8.380 nan 0.000 0.489 547 D N 1.359 121.738 120.400 -0.034 0.000 2.401 547 D HA 0.043 4.682 4.640 -0.001 0.000 0.254 547 D C -0.163 176.123 176.300 -0.022 0.000 1.192 547 D CA 0.336 54.342 54.000 0.010 0.000 0.885 547 D CB 0.569 41.441 40.800 0.121 0.000 1.147 547 D HN -0.218 nan 8.370 nan 0.000 0.478 548 R N 3.783 124.263 120.500 -0.034 0.000 2.409 548 R HA 0.394 4.734 4.340 -0.001 0.000 0.313 548 R C -0.749 175.518 176.300 -0.055 0.000 0.953 548 R CA -0.850 55.206 56.100 -0.073 0.000 0.849 548 R CB 0.463 30.730 30.300 -0.056 0.000 1.171 548 R HN 0.611 nan 8.270 nan 0.000 0.458 549 I N 0.105 120.616 120.570 -0.098 0.000 2.797 549 I HA 0.577 4.746 4.170 -0.001 0.000 0.307 549 I C -0.864 175.220 176.117 -0.054 0.000 1.033 549 I CA -0.771 60.504 61.300 -0.043 0.000 1.071 549 I CB 2.254 40.273 38.000 0.031 0.000 1.255 549 I HN 0.118 nan 8.210 nan 0.000 0.445 550 V N 5.309 125.216 119.914 -0.011 0.000 2.293 550 V HA 0.282 4.402 4.120 -0.001 0.000 0.275 550 V C 0.103 176.217 176.094 0.034 0.000 1.021 550 V CA -0.855 61.451 62.300 0.009 0.000 0.815 550 V CB 1.001 32.822 31.823 -0.002 0.000 1.025 550 V HN 0.643 nan 8.190 nan 0.000 0.448 551 V N 4.473 124.460 119.914 0.122 0.000 2.583 551 V HA 0.029 4.148 4.120 -0.001 0.000 0.302 551 V C 0.271 176.424 176.094 0.099 0.000 1.033 551 V CA 0.937 63.365 62.300 0.214 0.000 1.194 551 V CB 0.470 32.544 31.823 0.418 0.000 0.879 551 V HN 1.052 nan 8.190 nan 0.000 0.482 552 D N 4.919 125.267 120.400 -0.087 0.000 2.474 552 D HA 0.338 4.977 4.640 -0.001 0.000 0.234 552 D C -1.075 175.075 176.300 -0.249 0.000 1.323 552 D CA -0.297 53.646 54.000 -0.094 0.000 0.915 552 D CB 0.246 40.989 40.800 -0.094 0.000 1.487 552 D HN 0.219 nan 8.370 nan 0.000 0.524 553 F N 2.818 122.772 119.950 0.006 0.000 2.480 553 F HA 0.598 5.124 4.527 -0.001 0.000 0.329 553 F C -1.677 174.097 175.800 -0.044 0.000 1.091 553 F CA -1.818 56.172 58.000 -0.016 0.000 0.972 553 F CB 1.810 40.795 39.000 -0.024 0.000 1.150 553 F HN 0.029 nan 8.300 nan 0.000 0.467 554 P HA 0.188 nan 4.420 nan 0.000 0.272 554 P C -0.558 176.729 177.300 -0.023 0.000 1.240 554 P CA -0.128 62.989 63.100 0.029 0.000 0.791 554 P CB 1.339 33.039 31.700 -0.000 0.000 0.978 555 T N -2.592 111.903 114.554 -0.099 0.000 2.838 555 T HA 0.335 4.684 4.350 -0.001 0.000 0.292 555 T C 0.792 175.329 174.700 -0.271 0.000 1.113 555 T CA -0.703 61.276 62.100 -0.201 0.000 1.008 555 T CB 0.637 69.433 68.868 -0.120 0.000 1.259 555 T HN 0.406 nan 8.240 nan 0.000 0.520 556 N N 0.073 118.561 118.700 -0.354 0.000 2.322 556 N HA 0.038 4.778 4.740 -0.001 0.000 0.194 556 N C -0.247 175.206 175.510 -0.095 0.000 1.126 556 N CA -0.224 52.678 53.050 -0.247 0.000 0.845 556 N CB -0.043 38.296 38.487 -0.247 0.000 0.976 556 N HN 0.499 nan 8.380 nan 0.000 0.475 557 Q N 0.521 120.273 119.800 -0.079 0.000 2.230 557 Q HA 0.397 4.736 4.340 -0.001 0.000 0.253 557 Q C -0.730 175.257 176.000 -0.022 0.000 0.919 557 Q CA -0.272 55.512 55.803 -0.032 0.000 0.908 557 Q CB 2.028 30.753 28.738 -0.021 0.000 1.245 557 Q HN 0.055 nan 8.270 nan 0.000 0.437 558 K N 0.401 120.797 120.400 -0.006 0.000 2.259 558 K HA 0.461 4.781 4.320 -0.001 0.000 0.249 558 K C -0.749 175.855 176.600 0.007 0.000 0.942 558 K CA -0.345 55.941 56.287 -0.001 0.000 0.816 558 K CB 1.572 34.072 32.500 0.001 0.000 1.155 558 K HN 0.611 nan 8.250 nan 0.000 0.428 559 c N 0.908 119.514 118.600 0.010 0.000 2.500 559 c HA 0.113 4.682 4.570 -0.001 0.000 0.367 559 c C 2.079 176.176 174.090 0.012 0.000 1.283 559 c CA -0.167 56.170 56.329 0.014 0.000 2.456 559 c CB 0.867 43.387 42.510 0.016 0.000 2.457 559 c HN 1.026 nan 8.230 nan 0.000 0.632 560 S N 0.165 115.873 115.700 0.013 0.000 2.447 560 S HA -0.139 4.330 4.470 -0.001 0.000 0.233 560 S C 1.624 176.229 174.600 0.009 0.000 1.006 560 S CA 1.483 59.690 58.200 0.011 0.000 0.957 560 S CB -0.896 62.310 63.200 0.011 0.000 0.773 560 S HN 0.940 nan 8.310 nan 0.000 0.507 561 c N 0.207 118.813 118.600 0.010 0.000 2.435 561 c HA 0.563 5.133 4.570 -0.001 0.000 0.279 561 c C 2.377 176.471 174.090 0.007 0.000 1.321 561 c CA 0.172 56.505 56.329 0.008 0.000 1.752 561 c CB -1.459 41.056 42.510 0.008 0.000 1.959 561 c HN 0.822 nan 8.230 nan 0.000 0.500 562 G N -0.555 108.250 108.800 0.007 0.000 3.006 562 G HA2 -0.063 3.896 3.960 -0.001 0.000 0.195 562 G HA3 -0.063 3.896 3.960 -0.001 0.000 0.195 562 G C 0.017 174.919 174.900 0.005 0.000 1.034 562 G CA -0.325 44.778 45.100 0.006 0.000 0.807 562 G HN 0.382 nan 8.290 nan 0.000 0.469 563 K N 2.043 122.446 120.400 0.005 0.000 2.485 563 K HA 0.248 4.567 4.320 -0.001 0.000 0.277 563 K C 0.817 177.418 176.600 0.002 0.000 0.990 563 K CA 0.340 56.629 56.287 0.004 0.000 0.994 563 K CB 0.971 33.475 32.500 0.007 0.000 0.906 563 K HN 0.773 nan 8.250 nan 0.000 0.488 564 E N 2.538 122.737 120.200 -0.002 0.000 2.390 564 E HA 0.100 4.449 4.350 -0.001 0.000 0.261 564 E C -0.370 176.228 176.600 -0.004 0.000 1.076 564 E CA -0.177 56.218 56.400 -0.009 0.000 0.905 564 E CB 0.674 30.363 29.700 -0.018 0.000 0.984 564 E HN 0.301 nan 8.360 nan 0.000 0.427 565 M N 2.336 121.932 119.600 -0.007 0.000 2.342 565 M HA 0.373 4.852 4.480 -0.001 0.000 0.332 565 M C 0.130 176.428 176.300 -0.003 0.000 1.166 565 M CA -0.399 54.903 55.300 0.002 0.000 1.086 565 M CB 1.412 34.017 32.600 0.009 0.000 1.541 565 M HN 0.484 nan 8.290 nan 0.000 0.462 566 R N 1.252 121.757 120.500 0.008 0.000 2.637 566 R HA 0.586 4.926 4.340 -0.001 0.000 0.291 566 R C -1.334 174.972 176.300 0.010 0.000 0.963 566 R CA -1.053 55.056 56.100 0.015 0.000 0.901 566 R CB 1.960 32.267 30.300 0.011 0.000 1.160 566 R HN 0.468 nan 8.270 nan 0.000 0.457 567 L N 1.399 122.657 121.223 0.059 0.000 2.290 567 L HA 0.344 4.683 4.340 -0.001 0.000 0.284 567 L C -0.651 176.258 176.870 0.064 0.000 1.078 567 L CA 0.629 55.511 54.840 0.071 0.000 0.815 567 L CB 1.379 43.519 42.059 0.136 0.000 1.162 567 L HN 0.538 nan 8.230 nan 0.000 0.435 568 S N 3.906 119.505 115.700 -0.168 0.000 2.715 568 S HA 0.696 5.166 4.470 -0.001 0.000 0.307 568 S C -1.462 173.069 174.600 -0.115 0.000 1.119 568 S CA -0.387 57.654 58.200 -0.265 0.000 0.937 568 S CB 1.567 64.356 63.200 -0.685 0.000 1.150 568 S HN 0.470 nan 8.310 nan 0.000 0.521 569 F N 0.429 120.281 119.950 -0.162 0.000 2.573 569 F HA 0.681 5.208 4.527 -0.001 0.000 0.316 569 F C 0.068 175.893 175.800 0.042 0.000 1.148 569 F CA -0.140 57.790 58.000 -0.117 0.000 0.940 569 F CB 1.146 39.984 39.000 -0.270 0.000 1.214 569 F HN 0.681 nan 8.300 nan 0.000 0.448 570 G N 4.389 112.952 108.800 -0.395 0.000 3.243 570 G HA2 0.238 4.198 3.960 -0.001 0.000 0.248 570 G HA3 0.238 4.198 3.960 -0.001 0.000 0.248 570 G C -0.030 174.542 174.900 -0.547 0.000 1.267 570 G CA -0.323 44.599 45.100 -0.298 0.000 0.906 570 G HN 0.691 nan 8.290 nan 0.000 0.592 571 K N -1.418 118.824 120.400 -0.263 0.000 2.148 571 K HA -0.014 4.306 4.320 -0.001 0.000 0.204 571 K C 0.870 177.441 176.600 -0.048 0.000 1.050 571 K CA 1.304 57.499 56.287 -0.154 0.000 0.942 571 K CB -0.174 32.306 32.500 -0.034 0.000 0.724 571 K HN 0.264 nan 8.250 nan 0.000 0.446 572 Y N 2.067 122.197 120.300 -0.283 0.000 2.596 572 Y HA 0.261 4.810 4.550 -0.001 0.000 0.316 572 Y C 1.255 177.010 175.900 -0.242 0.000 1.156 572 Y CA -0.235 57.740 58.100 -0.210 0.000 1.300 572 Y CB -0.331 38.031 38.460 -0.163 0.000 1.130 572 Y HN 0.466 nan 8.280 nan 0.000 0.518 573 G N -0.084 108.475 108.800 -0.402 0.000 2.598 573 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.244 573 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.244 573 G C -0.371 174.325 174.900 -0.341 0.000 1.302 573 G CA -0.705 44.044 45.100 -0.585 0.000 0.903 573 G HN 0.090 nan 8.290 nan 0.000 0.575 574 F N 1.404 121.520 119.950 0.277 0.000 2.529 574 F HA 0.571 5.098 4.527 -0.001 0.000 0.365 574 F C 0.958 176.946 175.800 0.313 0.000 1.102 574 F CA 1.223 59.432 58.000 0.348 0.000 1.271 574 F CB 0.351 39.533 39.000 0.303 0.000 1.120 574 F HN 0.673 nan 8.300 nan 0.000 0.579 575 Y N 0.193 120.670 120.300 0.296 0.000 2.597 575 Y HA 0.768 5.317 4.550 -0.001 0.000 0.340 575 Y C -1.774 174.221 175.900 0.159 0.000 1.097 575 Y CA -1.895 56.312 58.100 0.178 0.000 1.037 575 Y CB 0.876 39.392 38.460 0.093 0.000 1.305 575 Y HN 0.324 nan 8.280 nan 0.000 0.463 576 L N 2.952 124.300 121.223 0.209 0.000 2.360 576 L HA 0.642 4.982 4.340 -0.001 0.000 0.271 576 L C -0.613 176.364 176.870 0.177 0.000 1.057 576 L CA -0.847 54.058 54.840 0.109 0.000 0.803 576 L CB 1.792 43.903 42.059 0.086 0.000 1.207 576 L HN 0.856 nan 8.230 nan 0.000 0.445 577 K N 1.265 121.727 120.400 0.103 0.000 2.546 577 K HA 0.753 5.073 4.320 -0.001 0.000 0.264 577 K C -1.316 175.324 176.600 0.066 0.000 0.937 577 K CA -0.880 55.480 56.287 0.123 0.000 0.833 577 K CB 1.879 34.482 32.500 0.171 0.000 1.378 577 K HN 0.749 nan 8.250 nan 0.000 0.432 578 c N -0.596 118.039 118.600 0.058 0.000 3.154 578 c HA 0.521 5.090 4.570 -0.001 0.000 0.312 578 c C 0.544 174.653 174.090 0.032 0.000 1.349 578 c CA -0.813 55.538 56.329 0.036 0.000 1.518 578 c CB 1.295 43.821 42.510 0.027 0.000 1.934 578 c HN 1.049 nan 8.230 nan 0.000 0.462 579 E N -0.424 119.789 120.200 0.022 0.000 2.365 579 E HA 0.179 4.528 4.350 -0.001 0.000 0.188 579 E C 1.007 177.616 176.600 0.014 0.000 1.102 579 E CA 0.772 57.183 56.400 0.018 0.000 0.927 579 E CB -0.516 29.192 29.700 0.013 0.000 1.073 579 E HN 0.808 nan 8.360 nan 0.000 0.467 580 c N -5.477 113.132 118.600 0.016 0.000 4.914 580 c HA 0.517 5.087 4.570 -0.001 0.000 0.505 580 c C 1.367 175.465 174.090 0.014 0.000 1.350 580 c CA -0.284 56.053 56.329 0.013 0.000 2.421 580 c CB -0.407 42.109 42.510 0.010 0.000 3.334 580 c HN 0.290 nan 8.230 nan 0.000 0.512 581 G N 1.016 109.827 108.800 0.018 0.000 2.583 581 G HA2 0.572 4.532 3.960 -0.001 0.000 0.280 581 G HA3 0.572 4.532 3.960 -0.001 0.000 0.280 581 G C -0.995 173.919 174.900 0.024 0.000 1.376 581 G CA -0.294 44.817 45.100 0.019 0.000 1.043 581 G HN 0.375 nan 8.290 nan 0.000 0.538 582 K N -0.876 119.539 120.400 0.024 0.000 2.109 582 K HA 0.507 4.826 4.320 -0.001 0.000 0.243 582 K C 0.348 176.975 176.600 0.045 0.000 1.006 582 K CA -0.291 56.010 56.287 0.024 0.000 0.917 582 K CB 0.991 33.500 32.500 0.015 0.000 1.081 582 K HN 0.583 nan 8.250 nan 0.000 0.468 583 T N -0.108 114.474 114.554 0.047 0.000 2.743 583 T HA 0.385 4.735 4.350 -0.001 0.000 0.293 583 T C -0.180 174.574 174.700 0.090 0.000 0.945 583 T CA -0.757 61.400 62.100 0.096 0.000 1.030 583 T CB 0.442 69.362 68.868 0.086 0.000 0.912 583 T HN 0.401 nan 8.240 nan 0.000 0.483 584 R N 2.737 123.307 120.500 0.116 0.000 2.265 584 R HA 0.410 4.749 4.340 -0.001 0.000 0.314 584 R C 0.610 177.006 176.300 0.160 0.000 1.053 584 R CA -0.492 55.673 56.100 0.108 0.000 0.931 584 R CB 1.018 31.370 30.300 0.087 0.000 1.024 584 R HN 0.761 nan 8.270 nan 0.000 0.457 585 S N 2.084 117.868 115.700 0.139 0.000 2.585 585 S HA 0.329 4.799 4.470 -0.001 0.000 0.273 585 S C -0.100 174.599 174.600 0.166 0.000 1.339 585 S CA -0.734 57.574 58.200 0.180 0.000 1.028 585 S CB 0.807 64.092 63.200 0.141 0.000 0.906 585 S HN 0.418 nan 8.310 nan 0.000 0.528 586 V N 2.169 122.208 119.914 0.208 0.000 2.760 586 V HA 0.640 4.759 4.120 -0.001 0.000 0.309 586 V C -0.692 175.521 176.094 0.199 0.000 1.077 586 V CA -1.113 61.287 62.300 0.167 0.000 0.910 586 V CB 1.357 33.258 31.823 0.131 0.000 1.008 586 V HN 0.908 nan 8.190 nan 0.000 0.424 587 K N 3.104 123.587 120.400 0.139 0.000 2.295 587 K HA 0.281 4.601 4.320 -0.001 0.000 0.270 587 K C 0.734 177.432 176.600 0.164 0.000 1.011 587 K CA -0.108 56.268 56.287 0.150 0.000 0.953 587 K CB 0.504 33.062 32.500 0.097 0.000 0.956 587 K HN 0.792 nan 8.250 nan 0.000 0.477 588 N N 1.713 120.553 118.700 0.234 0.000 2.272 588 N HA -0.177 4.563 4.740 -0.001 0.000 0.185 588 N C 0.441 176.018 175.510 0.111 0.000 1.014 588 N CA 1.419 54.618 53.050 0.249 0.000 0.870 588 N CB -0.054 38.627 38.487 0.323 0.000 0.975 588 N HN 0.587 nan 8.380 nan 0.000 0.433 589 D N -0.749 119.706 120.400 0.091 0.000 2.559 589 D HA 0.023 4.662 4.640 -0.001 0.000 0.234 589 D C -0.134 176.182 176.300 0.026 0.000 1.226 589 D CA -0.319 53.718 54.000 0.062 0.000 0.830 589 D CB -0.754 40.088 40.800 0.070 0.000 1.028 589 D HN 0.274 nan 8.370 nan 0.000 0.492 590 E N 0.582 120.788 120.200 0.010 0.000 2.383 590 E HA 0.127 4.477 4.350 -0.001 0.000 0.264 590 E C -0.030 176.552 176.600 -0.030 0.000 1.050 590 E CA -0.733 55.658 56.400 -0.014 0.000 0.896 590 E CB 0.623 30.316 29.700 -0.012 0.000 0.982 590 E HN -0.031 nan 8.360 nan 0.000 0.424 591 I N 2.722 123.272 120.570 -0.034 0.000 2.588 591 I HA 0.295 4.464 4.170 -0.001 0.000 0.283 591 I C 0.275 176.389 176.117 -0.006 0.000 1.119 591 I CA 0.317 61.611 61.300 -0.009 0.000 1.419 591 I CB 0.082 38.059 38.000 -0.039 0.000 1.394 591 I HN 0.609 nan 8.210 nan 0.000 0.562 592 A N 5.844 128.665 122.820 0.002 0.000 2.594 592 A HA 0.692 5.012 4.320 -0.001 0.000 0.296 592 A C -1.555 176.022 177.584 -0.011 0.000 1.061 592 A CA -0.539 51.484 52.037 -0.024 0.000 0.689 592 A CB 1.780 20.708 19.000 -0.120 0.000 1.280 592 A HN 0.464 nan 8.150 nan 0.000 0.406 593 V N 2.902 122.832 119.914 0.027 0.000 2.841 593 V HA 0.692 4.812 4.120 -0.001 0.000 0.310 593 V C -1.214 174.922 176.094 0.069 0.000 1.090 593 V CA -0.712 61.602 62.300 0.024 0.000 0.930 593 V CB 1.695 33.530 31.823 0.021 0.000 1.014 593 V HN 0.773 nan 8.190 nan 0.000 0.425 594 I N 5.130 125.703 120.570 0.004 0.000 2.331 594 I HA 0.512 4.682 4.170 -0.001 0.000 0.292 594 I C -0.864 175.316 176.117 0.106 0.000 0.998 594 I CA -0.098 61.225 61.300 0.038 0.000 1.267 594 I CB 1.554 39.505 38.000 -0.082 0.000 1.386 594 I HN 0.639 nan 8.210 nan 0.000 0.476 595 D N 5.280 125.813 120.400 0.221 0.000 2.863 595 D HA 0.232 4.872 4.640 -0.001 0.000 0.245 595 D C -0.775 175.648 176.300 0.205 0.000 1.211 595 D CA -0.134 53.957 54.000 0.152 0.000 0.888 595 D CB 1.133 41.950 40.800 0.028 0.000 1.483 595 D HN 0.432 nan 8.370 nan 0.000 0.533 596 D N 3.237 123.712 120.400 0.125 0.000 2.701 596 D HA -0.153 4.486 4.640 -0.001 0.000 0.235 596 D C 1.110 177.489 176.300 0.132 0.000 1.155 596 D CA 1.686 55.753 54.000 0.112 0.000 0.649 596 D CB -1.202 39.662 40.800 0.105 0.000 1.050 596 D HN 0.929 nan 8.370 nan 0.000 0.425 597 G N -0.525 108.370 108.800 0.157 0.000 2.184 597 G HA2 -0.387 3.572 3.960 -0.001 0.000 0.264 597 G HA3 -0.387 3.572 3.960 -0.001 0.000 0.264 597 G C 0.316 175.363 174.900 0.246 0.000 0.975 597 G CA 0.851 46.069 45.100 0.197 0.000 0.642 597 G HN 0.703 nan 8.290 nan 0.000 0.536 598 K N 0.169 120.678 120.400 0.181 0.000 2.244 598 K HA 0.726 5.045 4.320 -0.001 0.000 0.260 598 K C -0.225 176.353 176.600 -0.037 0.000 0.951 598 K CA -1.146 55.167 56.287 0.042 0.000 0.826 598 K CB 1.098 33.543 32.500 -0.092 0.000 1.108 598 K HN 0.161 nan 8.250 nan 0.000 0.433 599 I N 5.100 125.565 120.570 -0.175 0.000 2.325 599 I HA 0.265 4.434 4.170 -0.001 0.000 0.291 599 I C -1.297 174.633 176.117 -0.313 0.000 1.019 599 I CA -0.675 60.495 61.300 -0.217 0.000 1.302 599 I CB 0.334 38.115 38.000 -0.365 0.000 1.401 599 I HN 0.601 nan 8.210 nan 0.000 0.485 600 F N 7.614 127.517 119.950 -0.078 0.000 2.361 600 F HA 0.405 4.932 4.527 -0.001 0.000 0.364 600 F C 0.079 175.848 175.800 -0.052 0.000 1.117 600 F CA -0.407 57.566 58.000 -0.045 0.000 1.071 600 F CB 0.971 39.955 39.000 -0.027 0.000 1.188 600 F HN 0.257 nan 8.300 nan 0.000 0.464 601 L N 0.000 121.257 121.223 0.057 0.000 2.949 601 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 601 L CA 0.000 54.857 54.840 0.028 0.000 0.813 601 L CB 0.000 42.051 42.059 -0.014 0.000 0.961 601 L HN 0.000 nan 8.230 nan 0.000 0.502