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 3pq2_1_A DATA FIRST_RESID 28 DATA SEQUENCE SLAPEDGSHR PAAEPTPPGA QPTAPGSLKA PDTRNEKLNS LEDVRKGSEN DATA SEQUENCE YALTTNQGVR IADDQNSLRA GSRGPTLLED FILREKITHF DHERIPERIV DATA SEQUENCE HARGSAAHGY FQPYKSLSDI TKADFLSDPN KITPVFVRFS TVQGGAGSAD DATA SEQUENCE TVRDIRGFAT KFYTEEGIFD LVGNNTPIFF IQDAHKFPDF VHAVKPEPHW DATA SEQUENCE AIPQGQSAHD TFWDYVSLQP ETLHNVMWAM SDRGIPRSYR TMEGFGCHTF DATA SEQUENCE RLINAEGKAT FVRFHWKPLA GKASLVWDEA QKLTGRDPDF HRRELWEAIE DATA SEQUENCE AGDFPEYELG FQLIPEEDEF KFDFDLLDPT KLIPEELVPV QRVGKMVLNR DATA SEQUENCE NPDNFFAENE QAAFHPGHIV PGLDFTNDPL LQGRLFSYTD TQISRLGGPN DATA SEQUENCE FHEIPINRPT APYHNFQRDG MHRMGIDTNP ANYEPNSIND NWPRETPPGP DATA SEQUENCE KRGGFESYQE RVEGNKVRER SPSFGEYYSH PRLFWLSQTP FEQRHIVDGF DATA SEQUENCE SFELSKVVRP YIRERVVDQL AHIDLTLAQA VAKNLGIELT DDQLNITPPP DATA SEQUENCE DVNGLKKDPS LSLYAIPDGD VKGRVVAILL NDEVRSADLL AILKALKAKG DATA SEQUENCE VHAKLLYSRM GEVTADDGTV LPIAATFAGA PSLTVDAVIV PAGNIADIAD DATA SEQUENCE NGDANYYLME AYKHLKPIAL AGDARKFKAT IKIADQGEEG IVEADSADGS DATA SEQUENCE FMDELLTLMA AHRVWSRIPK IDKIPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 28 S HA 0.000 nan 4.470 nan 0.000 0.327 28 S C 0.000 174.571 174.600 -0.049 0.000 1.055 28 S CA 0.000 58.178 58.200 -0.037 0.000 1.107 28 S CB 0.000 63.182 63.200 -0.030 0.000 0.593 29 L N -0.320 120.864 121.223 -0.064 0.000 2.301 29 L HA 1.098 5.477 4.340 0.064 0.000 0.249 29 L C 0.356 177.140 176.870 -0.143 0.000 1.069 29 L CA -0.997 53.788 54.840 -0.093 0.000 0.865 29 L CB -0.104 41.909 42.059 -0.078 0.000 1.467 29 L HN 0.356 nan 8.230 nan 0.000 0.419 30 A N 0.384 123.057 122.820 -0.245 0.000 2.425 30 A HA 0.634 4.992 4.320 0.064 0.000 0.242 30 A C -2.122 175.307 177.584 -0.258 0.000 1.077 30 A CA -0.730 51.029 52.037 -0.464 0.000 0.781 30 A CB -1.106 17.311 19.000 -0.971 0.000 1.020 30 A HN 0.713 nan 8.150 nan 0.000 0.494 31 P HA 0.089 nan 4.420 nan 0.000 0.268 31 P C 0.320 177.607 177.300 -0.022 0.000 1.205 31 P CA -0.007 63.062 63.100 -0.053 0.000 0.771 31 P CB 0.791 32.501 31.700 0.017 0.000 0.858 32 E N 1.795 121.990 120.200 -0.009 0.000 2.147 32 E HA -0.269 4.119 4.350 0.064 0.000 0.199 32 E C 1.165 177.788 176.600 0.039 0.000 1.005 32 E CA 2.174 58.581 56.400 0.010 0.000 0.810 32 E CB -0.235 29.468 29.700 0.004 0.000 0.736 32 E HN 0.562 nan 8.360 nan 0.000 0.460 33 D N -1.519 118.909 120.400 0.047 0.000 2.363 33 D HA 0.002 4.680 4.640 0.064 0.000 0.226 33 D C 1.274 177.622 176.300 0.079 0.000 1.020 33 D CA 0.867 54.897 54.000 0.051 0.000 0.892 33 D CB -0.315 40.507 40.800 0.037 0.000 0.900 33 D HN 0.293 nan 8.370 nan 0.000 0.531 34 G N 0.354 109.244 108.800 0.150 0.000 2.153 34 G HA2 -0.355 3.644 3.960 0.064 0.000 0.252 34 G HA3 -0.355 3.644 3.960 0.064 0.000 0.252 34 G C 0.996 175.971 174.900 0.124 0.000 0.994 34 G CA 0.900 46.126 45.100 0.210 0.000 0.698 34 G HN 0.727 nan 8.290 nan 0.000 0.521 35 S N -0.242 115.553 115.700 0.158 0.000 2.607 35 S HA 0.062 4.570 4.470 0.064 0.000 0.224 35 S C 1.690 176.336 174.600 0.076 0.000 0.969 35 S CA 1.113 59.356 58.200 0.072 0.000 0.927 35 S CB -0.600 62.634 63.200 0.057 0.000 0.772 35 S HN 1.032 nan 8.310 nan 0.000 0.533 36 H N 0.215 119.291 119.070 0.009 0.000 2.502 36 H HA 0.326 4.920 4.556 0.064 0.000 0.283 36 H C 1.086 176.424 175.328 0.017 0.000 1.015 36 H CA 0.330 56.385 56.048 0.011 0.000 1.298 36 H CB -0.079 29.688 29.762 0.009 0.000 1.411 36 H HN 0.311 nan 8.280 nan 0.000 0.556 37 R N 2.161 122.362 120.500 -0.498 0.000 2.343 37 R HA 0.341 4.720 4.340 0.064 0.000 0.320 37 R C -2.868 173.339 176.300 -0.154 0.000 0.956 37 R CA -2.703 53.178 56.100 -0.364 0.000 0.836 37 R CB 0.655 30.633 30.300 -0.537 0.000 1.151 37 R HN 0.086 nan 8.270 nan 0.000 0.450 38 P HA 0.120 nan 4.420 nan 0.000 0.268 38 P C -0.883 176.407 177.300 -0.016 0.000 1.205 38 P CA -0.246 62.843 63.100 -0.018 0.000 0.771 38 P CB 0.934 32.648 31.700 0.023 0.000 0.858 39 A N 2.996 125.813 122.820 -0.006 0.000 2.531 39 A HA 0.364 4.723 4.320 0.064 0.000 0.236 39 A C 0.947 178.541 177.584 0.017 0.000 1.062 39 A CA 0.182 52.219 52.037 0.001 0.000 0.760 39 A CB -0.380 18.623 19.000 0.005 0.000 0.995 39 A HN 0.579 nan 8.150 nan 0.000 0.501 40 A N 2.908 125.738 122.820 0.016 0.000 3.135 40 A HA 0.485 4.844 4.320 0.064 0.000 0.253 40 A C 0.250 177.853 177.584 0.031 0.000 1.638 40 A CA -0.060 51.994 52.037 0.028 0.000 1.295 40 A CB -0.431 18.583 19.000 0.023 0.000 1.106 40 A HN 0.737 nan 8.150 nan 0.000 0.648 41 E N 0.375 120.595 120.200 0.034 0.000 2.413 41 E HA 0.381 4.769 4.350 0.064 0.000 0.277 41 E C -3.133 173.490 176.600 0.037 0.000 0.958 41 E CA -1.963 54.458 56.400 0.034 0.000 0.779 41 E CB 1.899 31.614 29.700 0.024 0.000 1.278 41 E HN 0.062 nan 8.360 nan 0.000 0.456 42 P HA 0.123 nan 4.420 nan 0.000 0.271 42 P C -0.587 176.721 177.300 0.014 0.000 1.220 42 P CA 0.030 63.144 63.100 0.024 0.000 0.768 42 P CB 0.336 32.037 31.700 0.002 0.000 0.848 43 T N 0.472 115.030 114.554 0.007 0.000 2.909 43 T HA 0.609 4.998 4.350 0.064 0.000 0.299 43 T C -2.972 171.702 174.700 -0.042 0.000 1.073 43 T CA -2.551 59.548 62.100 -0.001 0.000 0.999 43 T CB 1.722 70.595 68.868 0.009 0.000 1.098 43 T HN 0.095 nan 8.240 nan 0.000 0.477 44 P HA 0.357 nan 4.420 nan 0.000 0.274 44 P C -2.759 174.411 177.300 -0.216 0.000 1.246 44 P CA -1.601 61.364 63.100 -0.225 0.000 0.795 44 P CB -0.911 30.738 31.700 -0.085 0.000 1.006 45 P HA 0.030 nan 4.420 nan 0.000 0.262 45 P C 1.080 178.336 177.300 -0.072 0.000 1.182 45 P CA 1.475 64.480 63.100 -0.159 0.000 0.761 45 P CB -0.285 31.315 31.700 -0.167 0.000 0.795 46 G N 2.683 111.469 108.800 -0.023 0.000 2.205 46 G HA2 -0.341 3.657 3.960 0.064 0.000 0.261 46 G HA3 -0.341 3.657 3.960 0.064 0.000 0.261 46 G C 1.115 176.015 174.900 0.001 0.000 0.980 46 G CA 0.396 45.496 45.100 -0.001 0.000 0.632 46 G HN 0.684 nan 8.290 nan 0.000 0.533 47 A N -1.256 121.560 122.820 -0.006 0.000 2.016 47 A HA 0.447 4.806 4.320 0.064 0.000 0.217 47 A C 1.322 178.910 177.584 0.007 0.000 1.162 47 A CA 1.920 53.958 52.037 0.001 0.000 0.662 47 A CB 0.041 19.039 19.000 -0.002 0.000 0.812 47 A HN 0.485 nan 8.150 nan 0.000 0.450 48 Q N -1.109 118.698 119.800 0.013 0.000 2.501 48 Q HA 0.427 4.805 4.340 0.064 0.000 0.288 48 Q C -2.986 173.029 176.000 0.025 0.000 1.051 48 Q CA -1.970 53.844 55.803 0.018 0.000 0.788 48 Q CB 1.122 29.874 28.738 0.023 0.000 1.469 48 Q HN 0.050 nan 8.270 nan 0.000 0.416 49 P HA 0.069 nan 4.420 nan 0.000 0.269 49 P C -0.258 177.071 177.300 0.050 0.000 1.209 49 P CA 0.026 63.139 63.100 0.023 0.000 0.776 49 P CB 0.261 31.972 31.700 0.017 0.000 0.876 50 T N -0.837 113.744 114.554 0.045 0.000 2.828 50 T HA 0.635 5.024 4.350 0.064 0.000 0.290 50 T C -0.043 174.739 174.700 0.137 0.000 1.019 50 T CA -0.530 61.644 62.100 0.124 0.000 1.031 50 T CB 0.720 69.605 68.868 0.028 0.000 1.001 50 T HN 0.571 nan 8.240 nan 0.000 0.531 51 A N 1.374 124.384 122.820 0.317 0.000 2.609 51 A HA 0.767 5.126 4.320 0.064 0.000 0.291 51 A C -3.040 174.813 177.584 0.449 0.000 1.096 51 A CA -2.015 50.183 52.037 0.267 0.000 0.684 51 A CB 0.630 19.738 19.000 0.179 0.000 1.282 51 A HN 0.670 nan 8.150 nan 0.000 0.412 52 P HA 0.091 nan 4.420 nan 0.000 0.264 52 P C 1.278 178.736 177.300 0.263 0.000 1.183 52 P CA 1.006 64.326 63.100 0.367 0.000 0.763 52 P CB 0.450 32.286 31.700 0.227 0.000 0.807 53 G N 2.651 111.567 108.800 0.192 0.000 2.505 53 G HA2 -0.331 3.668 3.960 0.064 0.000 0.220 53 G HA3 -0.331 3.668 3.960 0.064 0.000 0.220 53 G C 1.548 176.468 174.900 0.034 0.000 1.145 53 G CA 1.253 46.376 45.100 0.038 0.000 0.761 53 G HN 0.606 nan 8.290 nan 0.000 0.571 54 S N -0.198 115.527 115.700 0.040 0.000 2.489 54 S HA 0.191 4.700 4.470 0.064 0.000 0.228 54 S C 2.197 176.818 174.600 0.035 0.000 0.995 54 S CA 0.669 58.877 58.200 0.014 0.000 0.934 54 S CB -0.108 63.094 63.200 0.002 0.000 0.771 54 S HN 0.318 nan 8.310 nan 0.000 0.522 55 L N -0.049 121.212 121.223 0.064 0.000 2.253 55 L HA 0.273 4.652 4.340 0.064 0.000 0.205 55 L C 2.645 179.551 176.870 0.060 0.000 1.078 55 L CA 0.789 55.666 54.840 0.062 0.000 0.805 55 L CB -0.305 41.800 42.059 0.077 0.000 0.963 55 L HN 0.253 nan 8.230 nan 0.000 0.459 56 K N 1.398 121.845 120.400 0.079 0.000 2.103 56 K HA 0.022 4.381 4.320 0.064 0.000 0.204 56 K C 0.695 177.329 176.600 0.056 0.000 1.052 56 K CA 1.293 57.626 56.287 0.078 0.000 0.945 56 K CB 0.142 32.708 32.500 0.110 0.000 0.722 56 K HN 0.150 nan 8.250 nan 0.000 0.443 57 A N 0.636 123.481 122.820 0.043 0.000 3.370 57 A HA 0.340 4.699 4.320 0.064 0.000 0.295 57 A C -2.229 175.363 177.584 0.014 0.000 1.030 57 A CA -0.914 51.145 52.037 0.036 0.000 0.883 57 A CB 0.637 19.662 19.000 0.041 0.000 1.191 57 A HN 0.154 nan 8.150 nan 0.000 0.507 58 P HA -0.086 nan 4.420 nan 0.000 0.223 58 P C 0.128 177.423 177.300 -0.008 0.000 1.151 58 P CA 1.063 64.164 63.100 0.001 0.000 0.787 58 P CB 0.364 32.069 31.700 0.008 0.000 0.788 59 D N -0.700 119.700 120.400 -0.001 0.000 2.348 59 D HA 0.003 4.681 4.640 0.064 0.000 0.211 59 D C 0.364 176.653 176.300 -0.017 0.000 0.998 59 D CA 0.673 54.669 54.000 -0.006 0.000 0.873 59 D CB -0.459 40.345 40.800 0.006 0.000 0.925 59 D HN 0.117 nan 8.370 nan 0.000 0.524 60 T N 1.939 116.481 114.554 -0.020 0.000 2.737 60 T HA 0.360 4.748 4.350 0.064 0.000 0.296 60 T C 0.475 175.133 174.700 -0.070 0.000 0.922 60 T CA -0.089 61.985 62.100 -0.043 0.000 1.079 60 T CB 0.946 69.787 68.868 -0.045 0.000 0.892 60 T HN -0.067 nan 8.240 nan 0.000 0.514 61 R N 2.763 123.215 120.500 -0.080 0.000 2.837 61 R HA 0.664 5.043 4.340 0.064 0.000 0.271 61 R C -0.594 175.649 176.300 -0.095 0.000 0.993 61 R CA -1.040 55.006 56.100 -0.089 0.000 0.931 61 R CB 1.576 31.831 30.300 -0.075 0.000 1.206 61 R HN 0.767 nan 8.270 nan 0.000 0.474 62 N N -1.678 116.968 118.700 -0.090 0.000 2.934 62 N HA 0.026 4.804 4.740 0.064 0.000 0.253 62 N C 0.003 175.469 175.510 -0.074 0.000 1.466 62 N CA -0.943 52.066 53.050 -0.069 0.000 0.858 62 N CB 0.694 39.171 38.487 -0.017 0.000 1.459 62 N HN 0.622 nan 8.380 nan 0.000 0.532 63 E N -0.290 119.881 120.200 -0.049 0.000 2.097 63 E HA -0.295 4.093 4.350 0.064 0.000 0.196 63 E C 1.068 177.597 176.600 -0.119 0.000 1.000 63 E CA 1.566 57.930 56.400 -0.060 0.000 0.804 63 E CB 0.077 29.767 29.700 -0.017 0.000 0.740 63 E HN 0.489 nan 8.360 nan 0.000 0.454 64 K N 0.670 120.963 120.400 -0.178 0.000 2.031 64 K HA -0.072 4.286 4.320 0.064 0.000 0.205 64 K C 2.092 178.526 176.600 -0.278 0.000 1.049 64 K CA 1.108 57.190 56.287 -0.342 0.000 0.939 64 K CB -0.433 31.673 32.500 -0.658 0.000 0.717 64 K HN 0.183 nan 8.250 nan 0.000 0.438 65 L N 0.917 121.997 121.223 -0.238 0.000 2.042 65 L HA -0.227 4.152 4.340 0.064 0.000 0.210 65 L C 1.882 178.639 176.870 -0.190 0.000 1.076 65 L CA 1.361 56.036 54.840 -0.275 0.000 0.749 65 L CB -0.601 41.293 42.059 -0.274 0.000 0.893 65 L HN 0.277 nan 8.230 nan 0.000 0.432 66 N N -0.299 118.316 118.700 -0.142 0.000 2.120 66 N HA -0.166 4.613 4.740 0.064 0.000 0.188 66 N C 2.031 177.481 175.510 -0.101 0.000 1.024 66 N CA 1.707 54.695 53.050 -0.104 0.000 0.852 66 N CB -0.518 37.921 38.487 -0.080 0.000 1.003 66 N HN 0.369 nan 8.380 nan 0.000 0.424 67 S N 0.507 116.137 115.700 -0.117 0.000 2.474 67 S HA 0.006 4.514 4.470 0.064 0.000 0.235 67 S C 1.752 176.287 174.600 -0.109 0.000 0.997 67 S CA 0.437 58.574 58.200 -0.105 0.000 0.949 67 S CB -0.508 62.621 63.200 -0.118 0.000 0.766 67 S HN 0.258 nan 8.310 nan 0.000 0.517 68 L N 0.765 121.910 121.223 -0.130 0.000 2.599 68 L HA 0.232 4.610 4.340 0.064 0.000 0.230 68 L C 2.505 179.326 176.870 -0.081 0.000 1.141 68 L CA 0.442 55.214 54.840 -0.113 0.000 0.877 68 L CB -0.378 41.599 42.059 -0.137 0.000 1.009 68 L HN 0.255 nan 8.230 nan 0.000 0.447 69 E N 1.065 121.221 120.200 -0.073 0.000 2.204 69 E HA -0.238 4.151 4.350 0.064 0.000 0.195 69 E C 1.698 178.274 176.600 -0.039 0.000 0.990 69 E CA 1.328 57.697 56.400 -0.051 0.000 0.821 69 E CB -0.027 29.646 29.700 -0.045 0.000 0.750 69 E HN 0.565 nan 8.360 nan 0.000 0.477 70 D N -0.528 119.846 120.400 -0.043 0.000 2.264 70 D HA -0.138 4.540 4.640 0.064 0.000 0.208 70 D C 1.620 177.901 176.300 -0.032 0.000 0.966 70 D CA 1.492 55.471 54.000 -0.034 0.000 0.864 70 D CB -0.265 40.513 40.800 -0.035 0.000 0.933 70 D HN 0.304 nan 8.370 nan 0.000 0.499 71 V N -3.536 116.357 119.914 -0.035 0.000 3.605 71 V HA 0.327 4.486 4.120 0.064 0.000 0.284 71 V C 0.870 176.952 176.094 -0.020 0.000 1.386 71 V CA -0.678 61.606 62.300 -0.028 0.000 1.053 71 V CB -0.472 31.334 31.823 -0.028 0.000 0.857 71 V HN -0.174 nan 8.190 nan 0.000 0.436 72 R N 2.018 122.506 120.500 -0.021 0.000 2.489 72 R HA 0.397 4.776 4.340 0.064 0.000 0.287 72 R C -0.214 176.084 176.300 -0.004 0.000 1.053 72 R CA 0.215 56.311 56.100 -0.006 0.000 1.036 72 R CB 0.586 30.882 30.300 -0.006 0.000 0.966 72 R HN 0.371 nan 8.270 nan 0.000 0.432 73 K N 1.295 121.698 120.400 0.004 0.000 2.413 73 K HA 0.310 4.669 4.320 0.064 0.000 0.257 73 K C -0.033 176.584 176.600 0.028 0.000 0.946 73 K CA -0.412 55.868 56.287 -0.013 0.000 0.823 73 K CB 1.768 34.245 32.500 -0.038 0.000 1.109 73 K HN 0.720 nan 8.250 nan 0.000 0.427 74 G N 0.574 109.413 108.800 0.064 0.000 2.504 74 G HA2 0.231 4.229 3.960 0.064 0.000 0.257 74 G HA3 0.231 4.229 3.960 0.064 0.000 0.257 74 G C 0.372 175.393 174.900 0.201 0.000 1.451 74 G CA 0.310 45.504 45.100 0.158 0.000 1.059 74 G HN 0.734 nan 8.290 nan 0.000 0.550 75 S N -2.794 113.107 115.700 0.335 0.000 2.323 75 S HA 0.097 4.605 4.470 0.064 0.000 0.233 75 S C 0.199 174.953 174.600 0.256 0.000 0.898 75 S CA -0.082 58.304 58.200 0.310 0.000 1.321 75 S CB -0.042 63.248 63.200 0.149 0.000 0.921 75 S HN 0.505 nan 8.310 nan 0.000 0.398 76 E N 2.925 123.189 120.200 0.107 0.000 2.414 76 E HA 0.338 4.727 4.350 0.064 0.000 0.263 76 E C -0.173 176.297 176.600 -0.217 0.000 1.000 76 E CA 0.156 56.542 56.400 -0.023 0.000 0.914 76 E CB 0.105 29.791 29.700 -0.023 0.000 0.948 76 E HN 0.378 nan 8.360 nan 0.000 0.444 77 N N 0.455 119.057 118.700 -0.164 0.000 2.863 77 N HA -0.218 4.560 4.740 0.064 0.000 0.245 77 N C -1.099 174.256 175.510 -0.258 0.000 1.001 77 N CA 1.202 54.118 53.050 -0.223 0.000 0.901 77 N CB -1.346 36.973 38.487 -0.280 0.000 1.124 77 N HN 0.380 nan 8.380 nan 0.000 0.582 78 Y N 0.664 120.969 120.300 0.008 0.000 2.352 78 Y HA 0.622 5.211 4.550 0.065 0.000 0.326 78 Y C 0.989 176.891 175.900 0.003 0.000 1.166 78 Y CA -0.734 57.370 58.100 0.006 0.000 1.182 78 Y CB 0.991 39.455 38.460 0.007 0.000 1.216 78 Y HN 0.129 nan 8.280 nan 0.000 0.474 79 A N 2.928 125.861 122.820 0.189 0.000 2.407 79 A HA 0.393 4.752 4.320 0.064 0.000 0.248 79 A C -0.647 176.987 177.584 0.083 0.000 1.082 79 A CA -0.523 51.575 52.037 0.100 0.000 0.785 79 A CB 0.068 19.113 19.000 0.076 0.000 1.020 79 A HN 0.718 nan 8.150 nan 0.000 0.489 80 L N 2.763 124.015 121.223 0.048 0.000 2.410 80 L HA 0.526 4.905 4.340 0.064 0.000 0.273 80 L C 0.619 177.497 176.870 0.013 0.000 1.152 80 L CA 1.154 56.009 54.840 0.024 0.000 0.855 80 L CB 0.498 42.562 42.059 0.008 0.000 1.129 80 L HN 0.908 nan 8.230 nan 0.000 0.463 81 T N 0.378 114.933 114.554 0.003 0.000 2.883 81 T HA 0.623 5.011 4.350 0.064 0.000 0.296 81 T C 0.156 174.854 174.700 -0.003 0.000 1.117 81 T CA -0.196 61.907 62.100 0.005 0.000 1.006 81 T CB 1.017 69.890 68.868 0.009 0.000 1.191 81 T HN 0.850 nan 8.240 nan 0.000 0.508 82 T N 0.567 115.131 114.554 0.016 0.000 2.680 82 T HA 0.163 4.552 4.350 0.064 0.000 0.314 82 T C 1.095 175.810 174.700 0.025 0.000 1.045 82 T CA -0.353 61.765 62.100 0.031 0.000 1.025 82 T CB -0.074 68.854 68.868 0.101 0.000 1.000 82 T HN 0.577 nan 8.240 nan 0.000 0.535 83 N N 0.559 119.277 118.700 0.030 0.000 2.453 83 N HA -0.071 4.708 4.740 0.064 0.000 0.183 83 N C 1.563 177.092 175.510 0.032 0.000 1.041 83 N CA 0.624 53.685 53.050 0.018 0.000 0.900 83 N CB -0.175 38.331 38.487 0.032 0.000 0.961 83 N HN 0.565 nan 8.380 nan 0.000 0.443 84 Q N -0.433 119.401 119.800 0.057 0.000 2.365 84 Q HA 0.184 4.562 4.340 0.064 0.000 0.203 84 Q C 0.778 176.803 176.000 0.042 0.000 0.929 84 Q CA 0.133 55.967 55.803 0.051 0.000 0.948 84 Q CB 0.289 29.067 28.738 0.067 0.000 1.043 84 Q HN 0.407 nan 8.270 nan 0.000 0.505 85 G N 0.338 109.159 108.800 0.035 0.000 2.132 85 G HA2 -0.237 3.762 3.960 0.064 0.000 0.234 85 G HA3 -0.237 3.762 3.960 0.064 0.000 0.234 85 G C 0.070 174.996 174.900 0.043 0.000 0.989 85 G CA 0.163 45.278 45.100 0.025 0.000 0.676 85 G HN 0.227 nan 8.290 nan 0.000 0.522 86 V N 1.620 121.577 119.914 0.070 0.000 2.432 86 V HA 0.381 4.540 4.120 0.064 0.000 0.275 86 V C 1.259 177.391 176.094 0.063 0.000 1.043 86 V CA -0.668 61.685 62.300 0.089 0.000 0.925 86 V CB 1.149 33.074 31.823 0.170 0.000 0.985 86 V HN 0.407 nan 8.190 nan 0.000 0.466 87 R N 4.417 124.947 120.500 0.050 0.000 2.537 87 R HA 0.339 4.718 4.340 0.064 0.000 0.280 87 R C -0.529 175.783 176.300 0.020 0.000 1.058 87 R CA -0.034 56.086 56.100 0.033 0.000 1.057 87 R CB 0.472 30.792 30.300 0.033 0.000 0.973 87 R HN 0.569 nan 8.270 nan 0.000 0.438 88 I N 2.010 122.579 120.570 -0.001 0.000 2.353 88 I HA 0.114 4.322 4.170 0.064 0.000 0.293 88 I C 0.993 177.098 176.117 -0.020 0.000 0.992 88 I CA 0.083 61.366 61.300 -0.028 0.000 1.268 88 I CB 1.862 39.833 38.000 -0.047 0.000 1.387 88 I HN 0.771 nan 8.210 nan 0.000 0.478 89 A N 3.945 126.750 122.820 -0.025 0.000 1.924 89 A HA 0.027 4.386 4.320 0.064 0.000 0.211 89 A C 0.637 178.205 177.584 -0.026 0.000 1.198 89 A CA 0.850 52.877 52.037 -0.018 0.000 0.657 89 A CB 0.066 19.059 19.000 -0.012 0.000 0.852 89 A HN 0.678 nan 8.150 nan 0.000 0.454 90 D N -0.514 119.862 120.400 -0.040 0.000 2.440 90 D HA 0.341 5.020 4.640 0.064 0.000 0.252 90 D C -1.370 174.897 176.300 -0.055 0.000 1.180 90 D CA -0.356 53.618 54.000 -0.042 0.000 0.894 90 D CB 1.226 42.003 40.800 -0.039 0.000 1.111 90 D HN 0.068 nan 8.370 nan 0.000 0.544 91 D N 2.159 122.530 120.400 -0.049 0.000 2.491 91 D HA 0.064 4.743 4.640 0.064 0.000 0.228 91 D C 0.480 176.746 176.300 -0.055 0.000 1.183 91 D CA 0.186 54.152 54.000 -0.057 0.000 0.827 91 D CB 0.483 41.254 40.800 -0.049 0.000 0.989 91 D HN 0.217 nan 8.370 nan 0.000 0.494 92 Q N -0.621 119.148 119.800 -0.051 0.000 2.246 92 Q HA 0.279 4.658 4.340 0.064 0.000 0.222 92 Q C -0.206 175.764 176.000 -0.050 0.000 0.851 92 Q CA 0.129 55.903 55.803 -0.049 0.000 0.945 92 Q CB 0.826 29.540 28.738 -0.039 0.000 1.122 92 Q HN 0.197 nan 8.270 nan 0.000 0.508 93 N N 0.160 118.828 118.700 -0.053 0.000 2.277 93 N HA 0.293 5.072 4.740 0.064 0.000 0.286 93 N C -1.005 174.471 175.510 -0.058 0.000 1.140 93 N CA -0.253 52.767 53.050 -0.050 0.000 0.799 93 N CB 2.107 40.570 38.487 -0.040 0.000 1.596 93 N HN -0.175 nan 8.380 nan 0.000 0.473 94 S N 0.782 116.450 115.700 -0.052 0.000 2.603 94 S HA 0.257 4.766 4.470 0.064 0.000 0.268 94 S C 0.204 174.779 174.600 -0.041 0.000 1.317 94 S CA -0.543 57.626 58.200 -0.051 0.000 1.012 94 S CB 0.691 63.867 63.200 -0.040 0.000 0.926 94 S HN 0.388 nan 8.310 nan 0.000 0.539 95 L N 3.456 124.655 121.223 -0.040 0.000 2.319 95 L HA 0.424 4.803 4.340 0.064 0.000 0.280 95 L C 0.107 176.970 176.870 -0.012 0.000 1.099 95 L CA 0.350 55.175 54.840 -0.024 0.000 0.828 95 L CB 0.006 42.054 42.059 -0.017 0.000 1.150 95 L HN 0.728 nan 8.230 nan 0.000 0.442 96 R N 4.162 124.657 120.500 -0.008 0.000 2.836 96 R HA 0.859 5.238 4.340 0.064 0.000 0.269 96 R C -1.173 175.127 176.300 -0.000 0.000 1.010 96 R CA -0.887 55.211 56.100 -0.004 0.000 0.930 96 R CB 1.162 31.457 30.300 -0.008 0.000 1.218 96 R HN 0.584 nan 8.270 nan 0.000 0.473 97 A N 1.423 124.245 122.820 0.002 0.000 2.527 97 A HA 0.572 4.931 4.320 0.064 0.000 0.313 97 A C 0.688 178.272 177.584 0.001 0.000 1.410 97 A CA 0.304 52.343 52.037 0.003 0.000 1.060 97 A CB -0.880 18.123 19.000 0.005 0.000 1.137 97 A HN 1.212 nan 8.150 nan 0.000 0.542 98 G N 1.497 110.297 108.800 -0.000 0.000 2.785 98 G HA2 -0.040 3.958 3.960 0.064 0.000 0.685 98 G HA3 -0.040 3.958 3.960 0.064 0.000 0.685 98 G C 0.811 175.708 174.900 -0.005 0.000 1.480 98 G CA 0.197 45.296 45.100 -0.002 0.000 0.915 98 G HN 1.935 nan 8.290 nan 0.000 0.576 99 S N -0.281 115.416 115.700 -0.006 0.000 2.507 99 S HA -0.015 4.493 4.470 0.064 0.000 0.235 99 S C 1.556 176.150 174.600 -0.009 0.000 0.988 99 S CA 1.445 59.640 58.200 -0.009 0.000 0.944 99 S CB 0.059 63.254 63.200 -0.009 0.000 0.762 99 S HN 0.765 nan 8.310 nan 0.000 0.526 100 R N 0.933 121.429 120.500 -0.007 0.000 2.586 100 R HA 0.354 4.733 4.340 0.064 0.000 0.336 100 R C 0.869 177.166 176.300 -0.006 0.000 1.060 100 R CA 0.053 56.148 56.100 -0.007 0.000 1.079 100 R CB 0.751 31.047 30.300 -0.006 0.000 1.317 100 R HN 0.443 nan 8.270 nan 0.000 0.568 101 G N 1.621 110.418 108.800 -0.005 0.000 2.642 101 G HA2 0.412 4.411 3.960 0.064 0.000 0.291 101 G HA3 0.412 4.411 3.960 0.064 0.000 0.291 101 G C -2.471 172.427 174.900 -0.003 0.000 1.345 101 G CA -1.145 43.953 45.100 -0.003 0.000 1.043 101 G HN -0.106 nan 8.290 nan 0.000 0.528 102 P HA 0.242 nan 4.420 nan 0.000 0.278 102 P C -0.142 177.158 177.300 -0.000 0.000 1.238 102 P CA -0.086 63.014 63.100 -0.000 0.000 0.794 102 P CB 0.886 32.588 31.700 0.003 0.000 0.955 103 T N 2.579 117.132 114.554 -0.001 0.000 2.926 103 T HA 0.243 4.632 4.350 0.064 0.000 0.307 103 T C 0.512 175.216 174.700 0.006 0.000 1.059 103 T CA 0.001 62.100 62.100 -0.001 0.000 1.122 103 T CB 0.010 68.875 68.868 -0.005 0.000 0.972 103 T HN 0.193 nan 8.240 nan 0.000 0.545 104 L N 2.955 124.184 121.223 0.010 0.000 2.334 104 L HA 0.379 4.757 4.340 0.064 0.000 0.275 104 L C 1.277 178.165 176.870 0.030 0.000 1.036 104 L CA -0.856 53.996 54.840 0.020 0.000 0.807 104 L CB 1.132 43.206 42.059 0.024 0.000 1.231 104 L HN 0.488 nan 8.230 nan 0.000 0.438 105 L N 1.720 122.964 121.223 0.036 0.000 2.275 105 L HA -0.156 4.223 4.340 0.064 0.000 0.215 105 L C 2.227 179.140 176.870 0.070 0.000 1.119 105 L CA 1.576 56.444 54.840 0.046 0.000 0.790 105 L CB -0.542 41.541 42.059 0.040 0.000 0.919 105 L HN 0.789 nan 8.230 nan 0.000 0.443 106 E N -1.633 118.613 120.200 0.077 0.000 2.511 106 E HA -0.160 4.228 4.350 0.064 0.000 0.196 106 E C 0.192 176.904 176.600 0.187 0.000 1.066 106 E CA 0.145 56.619 56.400 0.124 0.000 0.871 106 E CB -0.480 29.283 29.700 0.105 0.000 0.863 106 E HN 0.344 nan 8.360 nan 0.000 0.520 107 D N 1.266 121.728 120.400 0.104 0.000 2.489 107 D HA -0.056 4.622 4.640 0.064 0.000 0.237 107 D C 0.371 176.694 176.300 0.038 0.000 1.212 107 D CA -0.354 53.665 54.000 0.031 0.000 1.058 107 D CB -0.184 40.599 40.800 -0.028 0.000 1.098 107 D HN 0.318 nan 8.370 nan 0.000 0.509 108 F N 1.771 121.729 119.950 0.014 0.000 2.456 108 F HA 0.125 4.691 4.527 0.064 0.000 0.298 108 F C 1.660 177.472 175.800 0.020 0.000 1.104 108 F CA -0.013 57.998 58.000 0.019 0.000 1.435 108 F CB -0.642 38.368 39.000 0.018 0.000 1.078 108 F HN 0.161 nan 8.300 nan 0.000 0.546 109 I N 0.456 120.575 120.570 -0.751 0.000 2.163 109 I HA -0.223 3.986 4.170 0.064 0.000 0.240 109 I C 2.511 178.508 176.117 -0.199 0.000 1.081 109 I CA 1.134 62.134 61.300 -0.500 0.000 1.353 109 I CB -0.569 37.078 38.000 -0.588 0.000 1.054 109 I HN 0.263 nan 8.210 nan 0.000 0.407 110 L N 1.157 122.280 121.223 -0.166 0.000 1.990 110 L HA -0.248 4.131 4.340 0.064 0.000 0.213 110 L C 2.668 179.526 176.870 -0.021 0.000 1.072 110 L CA 1.962 56.754 54.840 -0.080 0.000 0.755 110 L CB -0.583 41.438 42.059 -0.064 0.000 0.889 110 L HN 0.072 nan 8.230 nan 0.000 0.432 111 R N -0.746 119.761 120.500 0.012 0.000 2.096 111 R HA -0.179 4.199 4.340 0.064 0.000 0.235 111 R C 2.316 178.669 176.300 0.089 0.000 1.127 111 R CA 1.519 57.656 56.100 0.061 0.000 0.968 111 R CB -0.388 29.964 30.300 0.088 0.000 0.861 111 R HN 0.599 nan 8.270 nan 0.000 0.440 112 E N 1.178 121.433 120.200 0.091 0.000 2.077 112 E HA -0.235 4.153 4.350 0.064 0.000 0.193 112 E C 1.939 178.612 176.600 0.122 0.000 0.989 112 E CA 1.229 57.701 56.400 0.120 0.000 0.800 112 E CB 0.111 29.886 29.700 0.123 0.000 0.746 112 E HN 0.155 nan 8.360 nan 0.000 0.452 113 K N 0.253 120.693 120.400 0.066 0.000 2.026 113 K HA -0.134 4.225 4.320 0.064 0.000 0.208 113 K C 2.128 178.796 176.600 0.114 0.000 1.048 113 K CA 1.249 57.574 56.287 0.063 0.000 0.929 113 K CB -0.015 32.479 32.500 -0.010 0.000 0.713 113 K HN 0.134 nan 8.250 nan 0.000 0.439 114 I N 1.410 122.028 120.570 0.080 0.000 2.252 114 I HA -0.186 4.023 4.170 0.064 0.000 0.245 114 I C 2.152 178.379 176.117 0.183 0.000 1.102 114 I CA 1.347 62.714 61.300 0.112 0.000 1.385 114 I CB -1.448 36.584 38.000 0.052 0.000 1.064 114 I HN 0.235 nan 8.210 nan 0.000 0.414 115 T N -0.269 114.382 114.554 0.162 0.000 2.720 115 T HA -0.231 4.157 4.350 0.064 0.000 0.268 115 T C 1.964 176.801 174.700 0.228 0.000 1.037 115 T CA 1.462 63.678 62.100 0.194 0.000 1.144 115 T CB -0.428 68.562 68.868 0.204 0.000 0.864 115 T HN 0.343 nan 8.240 nan 0.000 0.444 116 H N -0.158 119.007 119.070 0.158 0.000 2.353 116 H HA -0.048 4.547 4.556 0.065 0.000 0.300 116 H C 2.153 177.547 175.328 0.110 0.000 1.090 116 H CA 1.439 57.566 56.048 0.133 0.000 1.327 116 H CB -0.385 29.434 29.762 0.095 0.000 1.383 116 H HN 0.421 nan 8.280 nan 0.000 0.508 117 F N 1.903 121.913 119.950 0.100 0.000 2.134 117 F HA -0.156 4.410 4.527 0.066 0.000 0.299 117 F C 1.862 177.607 175.800 -0.092 0.000 1.097 117 F CA 1.464 59.472 58.000 0.014 0.000 1.264 117 F CB -0.223 38.779 39.000 0.004 0.000 1.001 117 F HN 0.023 nan 8.300 nan 0.000 0.479 118 D N -1.071 119.247 120.400 -0.136 0.000 2.309 118 D HA -0.127 4.552 4.640 0.064 0.000 0.212 118 D C 0.984 176.876 176.300 -0.679 0.000 0.968 118 D CA 1.148 54.893 54.000 -0.425 0.000 0.882 118 D CB -0.327 40.213 40.800 -0.434 0.000 0.918 118 D HN 0.499 nan 8.370 nan 0.000 0.503 119 H N -0.667 118.286 119.070 -0.196 0.000 2.575 119 H HA 0.225 4.820 4.556 0.065 0.000 0.256 119 H C 0.920 176.090 175.328 -0.264 0.000 1.162 119 H CA -0.142 55.788 56.048 -0.196 0.000 0.969 119 H CB 0.504 30.173 29.762 -0.154 0.000 1.796 119 H HN 0.229 nan 8.280 nan 0.000 0.607 120 E N 0.773 120.813 120.200 -0.267 0.000 2.110 120 E HA -0.051 4.338 4.350 0.064 0.000 0.193 120 E C 0.530 176.973 176.600 -0.263 0.000 0.988 120 E CA 0.648 56.862 56.400 -0.310 0.000 0.804 120 E CB 0.441 29.933 29.700 -0.346 0.000 0.745 120 E HN 0.174 nan 8.360 nan 0.000 0.458 121 R N 1.167 121.575 120.500 -0.153 0.000 2.410 121 R HA 0.350 4.729 4.340 0.064 0.000 0.288 121 R C 0.476 176.816 176.300 0.066 0.000 1.051 121 R CA -0.199 55.883 56.100 -0.030 0.000 1.021 121 R CB 0.759 31.035 30.300 -0.039 0.000 1.032 121 R HN 0.159 nan 8.270 nan 0.000 0.481 122 I N -1.034 119.644 120.570 0.180 0.000 3.023 122 I HA 0.617 4.826 4.170 0.064 0.000 0.312 122 I C -2.263 173.921 176.117 0.112 0.000 1.056 122 I CA -3.013 58.380 61.300 0.154 0.000 1.033 122 I CB 1.716 39.839 38.000 0.205 0.000 1.233 122 I HN 0.224 nan 8.210 nan 0.000 0.462 123 P HA 0.146 nan 4.420 nan 0.000 0.271 123 P C -0.955 176.378 177.300 0.055 0.000 1.216 123 P CA -0.187 62.944 63.100 0.051 0.000 0.776 123 P CB 0.518 32.237 31.700 0.032 0.000 0.881 124 E N 2.629 122.864 120.200 0.057 0.000 2.369 124 E HA 0.197 4.586 4.350 0.064 0.000 0.255 124 E C -0.507 176.121 176.600 0.048 0.000 1.172 124 E CA -0.809 55.630 56.400 0.065 0.000 0.932 124 E CB 0.588 30.333 29.700 0.074 0.000 1.040 124 E HN 0.250 nan 8.360 nan 0.000 0.454 125 R N 0.640 121.175 120.500 0.057 0.000 2.623 125 R HA 0.015 4.393 4.340 0.064 0.000 0.271 125 R C 1.259 177.595 176.300 0.061 0.000 1.043 125 R CA -0.476 55.656 56.100 0.052 0.000 1.083 125 R CB 0.260 30.610 30.300 0.083 0.000 0.974 125 R HN 0.557 nan 8.270 nan 0.000 0.436 126 I N 1.910 122.510 120.570 0.049 0.000 2.208 126 I HA -0.150 4.059 4.170 0.064 0.000 0.245 126 I C 1.205 177.374 176.117 0.087 0.000 1.097 126 I CA 1.518 62.855 61.300 0.061 0.000 1.363 126 I CB -1.116 36.925 38.000 0.067 0.000 1.051 126 I HN 0.400 nan 8.210 nan 0.000 0.413 127 V N -3.415 116.585 119.914 0.143 0.000 3.040 127 V HA 0.519 4.677 4.120 0.064 0.000 0.312 127 V C 0.396 176.656 176.094 0.277 0.000 1.115 127 V CA -0.870 61.536 62.300 0.176 0.000 0.998 127 V CB 1.820 33.815 31.823 0.287 0.000 1.042 127 V HN 0.427 nan 8.190 nan 0.000 0.433 128 H N 0.249 119.384 119.070 0.110 0.000 2.899 128 H HA -0.218 4.377 4.556 0.064 0.000 0.282 128 H C 1.542 176.919 175.328 0.082 0.000 1.198 128 H CA 0.788 56.894 56.048 0.096 0.000 1.140 128 H CB -1.245 28.564 29.762 0.078 0.000 1.317 128 H HN 1.162 nan 8.280 nan 0.000 0.375 129 A N 0.749 123.662 122.820 0.155 0.000 2.019 129 A HA -0.097 4.261 4.320 0.064 0.000 0.219 129 A C 1.667 179.343 177.584 0.154 0.000 1.164 129 A CA 1.309 53.425 52.037 0.133 0.000 0.644 129 A CB -0.082 18.974 19.000 0.095 0.000 0.805 129 A HN 0.272 nan 8.150 nan 0.000 0.449 130 R N -0.013 120.579 120.500 0.155 0.000 2.207 130 R HA 0.527 4.906 4.340 0.064 0.000 0.334 130 R C -0.136 176.291 176.300 0.212 0.000 1.013 130 R CA 0.718 56.927 56.100 0.181 0.000 0.858 130 R CB 0.460 30.854 30.300 0.157 0.000 1.094 130 R HN 0.322 nan 8.270 nan 0.000 0.457 131 G N 0.752 109.703 108.800 0.252 0.000 2.601 131 G HA2 0.493 4.492 3.960 0.064 0.000 0.291 131 G HA3 0.493 4.492 3.960 0.064 0.000 0.291 131 G C -1.636 173.419 174.900 0.257 0.000 1.456 131 G CA -0.606 44.607 45.100 0.187 0.000 0.804 131 G HN 0.492 nan 8.290 nan 0.000 0.499 132 S N -1.071 114.717 115.700 0.146 0.000 2.547 132 S HA 0.890 5.398 4.470 0.064 0.000 0.281 132 S C -0.190 174.411 174.600 0.001 0.000 1.118 132 S CA -0.097 58.247 58.200 0.241 0.000 0.947 132 S CB 1.731 65.172 63.200 0.402 0.000 1.053 132 S HN 1.621 nan 8.310 nan 0.000 0.482 133 A N 1.549 124.340 122.820 -0.048 0.000 2.515 133 A HA 1.030 5.389 4.320 0.064 0.000 0.296 133 A C -0.873 176.512 177.584 -0.332 0.000 1.094 133 A CA -0.680 51.112 52.037 -0.409 0.000 0.718 133 A CB 1.621 20.217 19.000 -0.673 0.000 1.307 133 A HN 1.320 nan 8.150 nan 0.000 0.408 134 A N 0.496 122.965 122.820 -0.585 0.000 2.609 134 A HA 0.743 5.102 4.320 0.064 0.000 0.291 134 A C -1.060 176.297 177.584 -0.378 0.000 1.096 134 A CA -0.666 51.175 52.037 -0.327 0.000 0.684 134 A CB 0.725 19.634 19.000 -0.152 0.000 1.282 134 A HN 0.884 nan 8.150 nan 0.000 0.412 135 H N -0.460 118.621 119.070 0.018 0.000 2.505 135 H HA 0.673 5.267 4.556 0.064 0.000 0.355 135 H C 0.615 175.934 175.328 -0.015 0.000 1.179 135 H CA 0.899 57.012 56.048 0.109 0.000 1.343 135 H CB 1.757 31.585 29.762 0.109 0.000 1.501 135 H HN 1.162 nan 8.280 nan 0.000 0.569 136 G N 0.494 109.385 108.800 0.151 0.000 2.435 136 G HA2 0.344 4.342 3.960 0.064 0.000 0.296 136 G HA3 0.344 4.342 3.960 0.064 0.000 0.296 136 G C -2.081 172.939 174.900 0.200 0.000 1.240 136 G CA -0.662 44.486 45.100 0.079 0.000 0.872 136 G HN 0.628 nan 8.290 nan 0.000 0.480 137 Y N -1.710 118.623 120.300 0.054 0.000 2.597 137 Y HA 0.846 5.434 4.550 0.064 0.000 0.340 137 Y C -1.653 174.382 175.900 0.226 0.000 1.097 137 Y CA -1.972 56.206 58.100 0.130 0.000 1.037 137 Y CB 1.933 40.446 38.460 0.087 0.000 1.305 137 Y HN 0.843 nan 8.280 nan 0.000 0.463 138 F N 3.039 123.130 119.950 0.235 0.000 2.563 138 F HA 0.677 5.243 4.527 0.066 0.000 0.316 138 F C -1.403 174.596 175.800 0.332 0.000 1.076 138 F CA -0.538 57.608 58.000 0.244 0.000 0.921 138 F CB 2.178 41.446 39.000 0.448 0.000 1.209 138 F HN 0.811 nan 8.300 nan 0.000 0.462 139 Q N 5.631 124.950 119.800 -0.801 0.000 2.377 139 Q HA 0.596 4.975 4.340 0.064 0.000 0.279 139 Q C -3.342 171.976 176.000 -1.137 0.000 1.049 139 Q CA -2.251 53.141 55.803 -0.685 0.000 0.825 139 Q CB 2.953 31.609 28.738 -0.135 0.000 1.401 139 Q HN 0.339 nan 8.270 nan 0.000 0.404 140 P HA 0.103 nan 4.420 nan 0.000 0.278 140 P C -0.411 176.750 177.300 -0.232 0.000 1.258 140 P CA -0.279 62.545 63.100 -0.460 0.000 0.811 140 P CB 0.896 32.506 31.700 -0.150 0.000 1.063 141 Y N 0.275 120.512 120.300 -0.105 0.000 2.365 141 Y HA -0.012 4.577 4.550 0.065 0.000 0.293 141 Y C 1.482 177.354 175.900 -0.047 0.000 1.119 141 Y CA 0.405 58.467 58.100 -0.064 0.000 1.203 141 Y CB 0.395 38.826 38.460 -0.048 0.000 1.026 141 Y HN 0.357 nan 8.280 nan 0.000 0.549 142 K N -0.863 119.602 120.400 0.109 0.000 2.556 142 K HA 0.364 4.723 4.320 0.064 0.000 0.274 142 K C -0.906 175.698 176.600 0.007 0.000 0.966 142 K CA -0.904 55.412 56.287 0.049 0.000 0.865 142 K CB 1.659 34.188 32.500 0.049 0.000 1.444 142 K HN -0.231 nan 8.250 nan 0.000 0.433 143 S N 1.249 116.950 115.700 0.002 0.000 2.549 143 S HA 0.110 4.618 4.470 0.064 0.000 0.286 143 S C 0.412 175.000 174.600 -0.020 0.000 1.314 143 S CA -0.518 57.673 58.200 -0.014 0.000 1.062 143 S CB -0.158 63.037 63.200 -0.008 0.000 0.865 143 S HN 0.560 nan 8.310 nan 0.000 0.498 144 L N 4.768 125.968 121.223 -0.039 0.000 2.928 144 L HA 0.138 4.516 4.340 0.064 0.000 0.246 144 L C 1.961 178.814 176.870 -0.028 0.000 1.239 144 L CA -0.061 54.763 54.840 -0.027 0.000 1.035 144 L CB -0.203 41.840 42.059 -0.027 0.000 1.360 144 L HN 0.863 nan 8.230 nan 0.000 0.529 145 S N -1.918 113.765 115.700 -0.029 0.000 2.442 145 S HA -0.178 4.330 4.470 0.064 0.000 0.236 145 S C 1.271 175.855 174.600 -0.027 0.000 1.007 145 S CA 1.010 59.192 58.200 -0.031 0.000 0.965 145 S CB -0.139 63.047 63.200 -0.023 0.000 0.773 145 S HN 0.397 nan 8.310 nan 0.000 0.504 146 D N 2.104 122.492 120.400 -0.019 0.000 2.219 146 D HA -0.002 4.677 4.640 0.064 0.000 0.205 146 D C 1.827 178.111 176.300 -0.027 0.000 0.970 146 D CA 1.413 55.401 54.000 -0.019 0.000 0.851 146 D CB -0.202 40.592 40.800 -0.010 0.000 0.943 146 D HN 0.798 nan 8.370 nan 0.000 0.488 147 I N -4.059 116.496 120.570 -0.024 0.000 4.187 147 I HA 0.219 4.428 4.170 0.064 0.000 0.326 147 I C 0.382 176.460 176.117 -0.065 0.000 1.302 147 I CA 0.059 61.337 61.300 -0.037 0.000 1.196 147 I CB 1.149 39.146 38.000 -0.004 0.000 1.095 147 I HN -0.253 nan 8.210 nan 0.000 0.411 148 T N 1.652 116.170 114.554 -0.060 0.000 2.982 148 T HA 0.305 4.694 4.350 0.064 0.000 0.321 148 T C -0.101 174.549 174.700 -0.083 0.000 1.229 148 T CA -0.710 61.337 62.100 -0.088 0.000 1.044 148 T CB 1.728 70.535 68.868 -0.102 0.000 1.184 148 T HN 0.435 nan 8.240 nan 0.000 0.477 149 K N 2.556 122.906 120.400 -0.083 0.000 2.437 149 K HA 0.587 4.946 4.320 0.064 0.000 0.198 149 K C 0.716 177.282 176.600 -0.057 0.000 1.024 149 K CA -0.361 55.889 56.287 -0.062 0.000 1.148 149 K CB 0.263 32.732 32.500 -0.052 0.000 0.860 149 K HN 0.496 nan 8.250 nan 0.000 0.515 150 A N 2.024 124.789 122.820 -0.091 0.000 2.548 150 A HA -0.060 4.299 4.320 0.064 0.000 0.247 150 A C 0.559 178.111 177.584 -0.054 0.000 1.067 150 A CA 0.118 52.114 52.037 -0.069 0.000 0.757 150 A CB 0.115 19.016 19.000 -0.165 0.000 0.996 150 A HN 0.484 nan 8.150 nan 0.000 0.504 151 D N 1.928 122.374 120.400 0.076 0.000 2.144 151 D HA -0.199 4.480 4.640 0.064 0.000 0.200 151 D C 1.318 177.694 176.300 0.128 0.000 0.978 151 D CA 2.078 56.134 54.000 0.094 0.000 0.833 151 D CB -0.223 40.654 40.800 0.129 0.000 0.961 151 D HN 0.719 nan 8.370 nan 0.000 0.470 152 F N -0.733 119.248 119.950 0.051 0.000 2.699 152 F HA 0.199 4.765 4.527 0.065 0.000 0.298 152 F C 0.930 176.835 175.800 0.175 0.000 1.154 152 F CA 0.299 58.374 58.000 0.126 0.000 1.457 152 F CB -0.176 38.901 39.000 0.129 0.000 1.106 152 F HN -0.071 nan 8.300 nan 0.000 0.585 153 L N 0.722 121.649 121.223 -0.494 0.000 2.910 153 L HA 0.208 4.586 4.340 0.064 0.000 0.252 153 L C 1.772 178.550 176.870 -0.153 0.000 1.195 153 L CA 0.306 54.918 54.840 -0.381 0.000 1.003 153 L CB 0.040 41.770 42.059 -0.549 0.000 1.328 153 L HN 0.327 nan 8.230 nan 0.000 0.540 154 S N -2.780 112.876 115.700 -0.074 0.000 2.503 154 S HA 0.085 4.593 4.470 0.064 0.000 0.215 154 S C 0.388 174.984 174.600 -0.008 0.000 1.003 154 S CA -0.198 57.981 58.200 -0.036 0.000 0.910 154 S CB 0.297 63.489 63.200 -0.013 0.000 0.790 154 S HN 0.292 nan 8.310 nan 0.000 0.514 155 D N 0.963 121.368 120.400 0.008 0.000 2.970 155 D HA 0.368 5.047 4.640 0.064 0.000 0.230 155 D C -2.530 173.781 176.300 0.017 0.000 1.276 155 D CA -2.007 52.004 54.000 0.019 0.000 0.910 155 D CB 2.307 43.127 40.800 0.034 0.000 1.590 155 D HN -0.153 nan 8.370 nan 0.000 0.551 156 P HA -0.010 nan 4.420 nan 0.000 0.228 156 P C 0.312 177.624 177.300 0.020 0.000 1.151 156 P CA 0.611 63.718 63.100 0.012 0.000 0.770 156 P CB 0.436 32.157 31.700 0.034 0.000 0.786 157 N N -0.488 118.229 118.700 0.029 0.000 2.214 157 N HA 0.077 4.856 4.740 0.064 0.000 0.214 157 N C 0.213 175.751 175.510 0.047 0.000 1.132 157 N CA 0.064 53.134 53.050 0.035 0.000 0.856 157 N CB 0.648 39.152 38.487 0.028 0.000 1.020 157 N HN 0.243 nan 8.380 nan 0.000 0.509 158 K N 1.401 121.839 120.400 0.064 0.000 2.253 158 K HA 0.390 4.748 4.320 0.064 0.000 0.277 158 K C -0.083 176.603 176.600 0.144 0.000 1.053 158 K CA -0.252 56.094 56.287 0.099 0.000 0.892 158 K CB 1.751 34.317 32.500 0.111 0.000 1.102 158 K HN -0.051 nan 8.250 nan 0.000 0.469 159 I N 2.443 123.099 120.570 0.143 0.000 2.396 159 I HA 0.146 4.355 4.170 0.064 0.000 0.292 159 I C 0.100 176.382 176.117 0.276 0.000 0.999 159 I CA -0.291 61.128 61.300 0.199 0.000 1.310 159 I CB 1.744 39.807 38.000 0.105 0.000 1.404 159 I HN 0.459 nan 8.210 nan 0.000 0.496 160 T N 6.938 121.739 114.554 0.412 0.000 2.809 160 T HA 0.354 4.743 4.350 0.064 0.000 0.284 160 T C -2.479 172.478 174.700 0.427 0.000 0.992 160 T CA -1.355 61.013 62.100 0.446 0.000 0.957 160 T CB 1.805 71.054 68.868 0.635 0.000 0.942 160 T HN 0.259 nan 8.240 nan 0.000 0.439 161 P HA 0.306 nan 4.420 nan 0.000 0.272 161 P C -0.731 176.809 177.300 0.400 0.000 1.223 161 P CA -0.445 62.850 63.100 0.326 0.000 0.784 161 P CB 0.607 32.429 31.700 0.204 0.000 0.923 162 V N -0.488 119.606 119.914 0.300 0.000 3.078 162 V HA 0.744 4.903 4.120 0.064 0.000 0.311 162 V C -1.440 174.813 176.094 0.265 0.000 1.138 162 V CA -0.935 61.439 62.300 0.124 0.000 1.007 162 V CB 2.256 33.928 31.823 -0.251 0.000 1.045 162 V HN 0.334 nan 8.190 nan 0.000 0.432 163 F N 2.014 121.947 119.950 -0.029 0.000 2.557 163 F HA 0.844 5.409 4.527 0.063 0.000 0.316 163 F C -0.971 174.727 175.800 -0.169 0.000 1.141 163 F CA -0.705 57.216 58.000 -0.132 0.000 0.922 163 F CB 1.988 40.947 39.000 -0.070 0.000 1.194 163 F HN 0.537 nan 8.300 nan 0.000 0.443 164 V N 6.592 126.008 119.914 -0.829 0.000 2.495 164 V HA 0.573 4.732 4.120 0.064 0.000 0.298 164 V C -0.637 174.776 176.094 -1.136 0.000 1.031 164 V CA -0.828 60.928 62.300 -0.907 0.000 0.871 164 V CB 1.967 33.196 31.823 -0.990 0.000 0.988 164 V HN 0.738 nan 8.190 nan 0.000 0.432 165 R N 3.323 123.162 120.500 -1.102 0.000 2.437 165 R HA 0.639 5.018 4.340 0.064 0.000 0.310 165 R C -1.573 174.098 176.300 -1.048 0.000 0.955 165 R CA -0.425 55.115 56.100 -0.932 0.000 0.851 165 R CB 1.158 31.085 30.300 -0.623 0.000 1.161 165 R HN 0.551 nan 8.270 nan 0.000 0.446 166 F N 1.816 121.338 119.950 -0.713 0.000 2.432 166 F HA 0.525 5.092 4.527 0.066 0.000 0.329 166 F C 0.433 175.870 175.800 -0.604 0.000 1.076 166 F CA -0.287 57.179 58.000 -0.890 0.000 1.018 166 F CB 2.126 40.080 39.000 -1.742 0.000 1.201 166 F HN 0.568 nan 8.300 nan 0.000 0.489 167 S N -1.068 114.563 115.700 -0.115 0.000 2.588 167 S HA 0.646 5.154 4.470 0.064 0.000 0.269 167 S C -0.558 174.195 174.600 0.256 0.000 1.157 167 S CA -0.892 57.386 58.200 0.129 0.000 0.824 167 S CB 1.342 64.668 63.200 0.210 0.000 1.126 167 S HN 0.736 nan 8.310 nan 0.000 0.464 168 T N -1.334 113.365 114.554 0.242 0.000 2.865 168 T HA 0.663 5.052 4.350 0.064 0.000 0.302 168 T C 0.818 175.496 174.700 -0.036 0.000 1.078 168 T CA -0.091 62.108 62.100 0.166 0.000 0.942 168 T CB 0.248 69.214 68.868 0.164 0.000 1.387 168 T HN 0.621 nan 8.240 nan 0.000 0.557 169 V N -0.171 119.678 119.914 -0.109 0.000 2.948 169 V HA 0.130 4.289 4.120 0.064 0.000 0.234 169 V C 2.690 178.712 176.094 -0.120 0.000 1.205 169 V CA 0.316 62.416 62.300 -0.333 0.000 1.234 169 V CB -0.155 31.554 31.823 -0.190 0.000 1.020 169 V HN 0.860 nan 8.190 nan 0.000 0.491 170 Q N 1.099 120.868 119.800 -0.052 0.000 2.089 170 Q HA 0.097 4.475 4.340 0.064 0.000 0.195 170 Q C 1.264 177.244 176.000 -0.033 0.000 0.963 170 Q CA 1.329 57.099 55.803 -0.055 0.000 0.834 170 Q CB -0.102 28.591 28.738 -0.075 0.000 0.906 170 Q HN 0.576 nan 8.270 nan 0.000 0.452 171 G N -0.098 108.697 108.800 -0.008 0.000 2.572 171 G HA2 0.409 4.408 3.960 0.064 0.000 0.261 171 G HA3 0.409 4.408 3.960 0.064 0.000 0.261 171 G C 0.091 175.002 174.900 0.019 0.000 1.197 171 G CA 0.062 45.162 45.100 -0.000 0.000 0.870 171 G HN 0.322 nan 8.290 nan 0.000 0.548 172 G N -1.154 107.653 108.800 0.011 0.000 2.651 172 G HA2 0.474 4.473 3.960 0.064 0.000 0.260 172 G HA3 0.474 4.473 3.960 0.064 0.000 0.260 172 G C 1.320 176.253 174.900 0.055 0.000 1.216 172 G CA 0.428 45.544 45.100 0.028 0.000 0.913 172 G HN 1.083 nan 8.290 nan 0.000 0.535 173 A N -0.458 122.405 122.820 0.072 0.000 2.076 173 A HA 0.121 4.480 4.320 0.064 0.000 0.220 173 A C 2.119 179.746 177.584 0.073 0.000 1.160 173 A CA 1.930 54.030 52.037 0.105 0.000 0.653 173 A CB -0.283 18.795 19.000 0.131 0.000 0.801 173 A HN 1.173 nan 8.150 nan 0.000 0.455 174 G N -0.161 108.662 108.800 0.039 0.000 3.605 174 G HA2 0.369 4.367 3.960 0.064 0.000 0.277 174 G HA3 0.369 4.367 3.960 0.064 0.000 0.277 174 G C 0.570 175.476 174.900 0.010 0.000 1.093 174 G CA 0.623 45.732 45.100 0.014 0.000 0.821 174 G HN 0.626 nan 8.290 nan 0.000 0.532 175 S N -0.221 115.493 115.700 0.024 0.000 2.661 175 S HA 0.763 5.271 4.470 0.064 0.000 0.265 175 S C 0.522 175.142 174.600 0.032 0.000 1.225 175 S CA -0.083 58.128 58.200 0.018 0.000 0.986 175 S CB 1.597 64.809 63.200 0.019 0.000 1.008 175 S HN 0.580 nan 8.310 nan 0.000 0.565 176 A N 0.116 122.951 122.820 0.025 0.000 2.286 176 A HA 0.444 4.802 4.320 0.064 0.000 0.286 176 A C 0.597 178.213 177.584 0.053 0.000 1.097 176 A CA -0.572 51.480 52.037 0.024 0.000 0.821 176 A CB -0.092 18.904 19.000 -0.007 0.000 1.076 176 A HN 0.857 nan 8.150 nan 0.000 0.490 177 D N 0.326 120.751 120.400 0.041 0.000 2.120 177 D HA -0.065 4.614 4.640 0.064 0.000 0.202 177 D C 1.630 177.928 176.300 -0.004 0.000 0.972 177 D CA 2.266 56.307 54.000 0.068 0.000 0.837 177 D CB -0.262 40.544 40.800 0.009 0.000 0.989 177 D HN 0.674 nan 8.370 nan 0.000 0.469 178 T N -0.173 114.297 114.554 -0.140 0.000 3.332 178 T HA 0.287 4.676 4.350 0.064 0.000 0.246 178 T C 0.814 175.510 174.700 -0.007 0.000 0.943 178 T CA -0.573 61.432 62.100 -0.159 0.000 0.922 178 T CB -0.976 67.717 68.868 -0.292 0.000 1.086 178 T HN -0.077 nan 8.240 nan 0.000 0.590 179 V N -1.262 118.699 119.914 0.078 0.000 3.319 179 V HA 0.429 4.588 4.120 0.064 0.000 0.303 179 V C 0.725 176.967 176.094 0.246 0.000 1.094 179 V CA -1.399 60.997 62.300 0.160 0.000 1.106 179 V CB 0.390 32.294 31.823 0.135 0.000 1.099 179 V HN 0.547 nan 8.190 nan 0.000 0.476 180 R N 1.623 122.320 120.500 0.328 0.000 2.216 180 R HA 0.465 4.844 4.340 0.064 0.000 0.332 180 R C -1.028 175.354 176.300 0.137 0.000 1.056 180 R CA -0.064 56.178 56.100 0.236 0.000 0.901 180 R CB 0.124 30.492 30.300 0.113 0.000 1.039 180 R HN 1.061 nan 8.270 nan 0.000 0.456 181 D N 3.449 123.942 120.400 0.155 0.000 2.694 181 D HA 0.165 4.843 4.640 0.064 0.000 0.260 181 D C -0.514 175.902 176.300 0.192 0.000 1.250 181 D CA -0.631 53.452 54.000 0.138 0.000 0.763 181 D CB 1.208 42.080 40.800 0.119 0.000 1.311 181 D HN 0.219 nan 8.370 nan 0.000 0.420 182 I N 1.395 122.097 120.570 0.220 0.000 2.836 182 I HA 0.185 4.394 4.170 0.064 0.000 0.285 182 I C 0.875 177.133 176.117 0.236 0.000 1.174 182 I CA 0.054 61.494 61.300 0.233 0.000 1.405 182 I CB -0.075 38.094 38.000 0.281 0.000 1.385 182 I HN 0.250 nan 8.210 nan 0.000 0.594 183 R N 2.880 123.542 120.500 0.270 0.000 2.589 183 R HA 0.548 4.927 4.340 0.064 0.000 0.293 183 R C -0.019 176.480 176.300 0.332 0.000 0.963 183 R CA -0.748 55.534 56.100 0.304 0.000 0.905 183 R CB 1.462 31.969 30.300 0.344 0.000 1.144 183 R HN 0.811 nan 8.270 nan 0.000 0.459 184 G N 1.010 110.027 108.800 0.360 0.000 2.448 184 G HA2 0.457 4.456 3.960 0.064 0.000 0.285 184 G HA3 0.457 4.456 3.960 0.064 0.000 0.285 184 G C -1.207 173.781 174.900 0.148 0.000 1.176 184 G CA -0.020 45.262 45.100 0.304 0.000 0.852 184 G HN 0.370 nan 8.290 nan 0.000 0.530 185 F N 1.661 121.506 119.950 -0.175 0.000 3.228 185 F HA 0.616 5.181 4.527 0.063 0.000 0.385 185 F C -0.334 175.161 175.800 -0.507 0.000 1.247 185 F CA -1.841 55.954 58.000 -0.343 0.000 1.211 185 F CB 0.843 39.770 39.000 -0.122 0.000 1.719 185 F HN 0.676 nan 8.300 nan 0.000 0.630 186 A N 3.169 125.719 122.820 -0.451 0.000 2.303 186 A HA 0.790 5.148 4.320 0.064 0.000 0.320 186 A C -0.594 176.536 177.584 -0.757 0.000 1.192 186 A CA -0.446 51.158 52.037 -0.722 0.000 0.821 186 A CB 0.856 19.061 19.000 -1.325 0.000 1.188 186 A HN 0.507 nan 8.150 nan 0.000 0.492 187 T N 2.396 116.680 114.554 -0.450 0.000 2.809 187 T HA 0.369 4.758 4.350 0.064 0.000 0.284 187 T C -0.320 174.204 174.700 -0.293 0.000 0.992 187 T CA -0.474 61.370 62.100 -0.426 0.000 0.957 187 T CB 1.032 69.587 68.868 -0.521 0.000 0.942 187 T HN 0.632 nan 8.240 nan 0.000 0.439 188 K N 3.697 124.008 120.400 -0.149 0.000 2.264 188 K HA 0.430 4.789 4.320 0.064 0.000 0.277 188 K C -1.256 175.016 176.600 -0.547 0.000 1.067 188 K CA -0.538 55.563 56.287 -0.310 0.000 0.900 188 K CB 0.283 32.545 32.500 -0.397 0.000 1.124 188 K HN 0.373 nan 8.250 nan 0.000 0.469 189 F N 4.033 123.675 119.950 -0.512 0.000 2.410 189 F HA 0.247 4.812 4.527 0.063 0.000 0.349 189 F C -0.416 175.161 175.800 -0.372 0.000 1.117 189 F CA -0.586 57.186 58.000 -0.381 0.000 1.104 189 F CB 0.814 39.516 39.000 -0.498 0.000 1.122 189 F HN 0.423 nan 8.300 nan 0.000 0.483 190 Y N 1.676 122.039 120.300 0.106 0.000 2.802 190 Y HA 0.252 4.840 4.550 0.064 0.000 0.330 190 Y C 0.929 176.890 175.900 0.101 0.000 1.193 190 Y CA -0.913 57.228 58.100 0.069 0.000 1.427 190 Y CB 0.001 38.490 38.460 0.049 0.000 1.357 190 Y HN 0.560 nan 8.280 nan 0.000 0.501 191 T N -2.570 112.082 114.554 0.163 0.000 2.847 191 T HA 0.172 4.561 4.350 0.064 0.000 0.279 191 T C 0.987 175.785 174.700 0.163 0.000 0.984 191 T CA -0.693 61.512 62.100 0.175 0.000 0.988 191 T CB 1.099 70.043 68.868 0.127 0.000 1.040 191 T HN 0.641 nan 8.240 nan 0.000 0.528 192 E N 0.073 120.374 120.200 0.168 0.000 2.418 192 E HA -0.049 4.340 4.350 0.064 0.000 0.197 192 E C 1.061 177.731 176.600 0.116 0.000 1.026 192 E CA 0.704 57.183 56.400 0.132 0.000 0.862 192 E CB 0.117 29.891 29.700 0.122 0.000 0.799 192 E HN 0.735 nan 8.360 nan 0.000 0.518 193 E N 0.211 120.484 120.200 0.120 0.000 2.558 193 E HA 0.252 4.641 4.350 0.064 0.000 0.205 193 E C 0.216 176.869 176.600 0.087 0.000 1.006 193 E CA -0.191 56.272 56.400 0.104 0.000 0.961 193 E CB 1.259 31.025 29.700 0.110 0.000 1.044 193 E HN 0.182 nan 8.360 nan 0.000 0.465 194 G N 1.179 110.026 108.800 0.078 0.000 2.381 194 G HA2 -0.110 3.889 3.960 0.064 0.000 0.672 194 G HA3 -0.110 3.889 3.960 0.064 0.000 0.672 194 G C -0.921 173.988 174.900 0.016 0.000 1.324 194 G CA -1.122 44.001 45.100 0.039 0.000 0.975 194 G HN 0.021 nan 8.290 nan 0.000 0.593 195 I N 0.736 121.280 120.570 -0.043 0.000 2.533 195 I HA 0.333 4.542 4.170 0.064 0.000 0.284 195 I C 0.121 176.236 176.117 -0.003 0.000 1.109 195 I CA 0.054 61.297 61.300 -0.095 0.000 1.412 195 I CB 0.590 38.465 38.000 -0.208 0.000 1.396 195 I HN 0.451 nan 8.210 nan 0.000 0.543 196 F N 6.920 126.753 119.950 -0.196 0.000 2.426 196 F HA 0.440 5.004 4.527 0.062 0.000 0.348 196 F C -0.456 175.289 175.800 -0.091 0.000 1.124 196 F CA -1.209 56.667 58.000 -0.206 0.000 1.008 196 F CB 0.732 39.434 39.000 -0.497 0.000 1.139 196 F HN 0.351 nan 8.300 nan 0.000 0.452 197 D N 6.944 127.123 120.400 -0.368 0.000 2.303 197 D HA 0.251 4.930 4.640 0.064 0.000 0.236 197 D C -0.689 175.133 176.300 -0.797 0.000 1.068 197 D CA 0.002 53.746 54.000 -0.427 0.000 0.830 197 D CB 2.262 43.014 40.800 -0.081 0.000 1.109 197 D HN 0.628 nan 8.370 nan 0.000 0.496 198 L N 3.220 123.930 121.223 -0.856 0.000 2.272 198 L HA 0.291 4.670 4.340 0.064 0.000 0.284 198 L C -0.974 175.656 176.870 -0.399 0.000 1.045 198 L CA -0.635 53.767 54.840 -0.730 0.000 0.842 198 L CB 0.710 42.370 42.059 -0.665 0.000 1.224 198 L HN 0.053 nan 8.230 nan 0.000 0.430 199 V N 5.413 125.131 119.914 -0.327 0.000 2.259 199 V HA 0.517 4.676 4.120 0.064 0.000 0.267 199 V C 0.781 176.765 176.094 -0.183 0.000 1.051 199 V CA -0.303 61.822 62.300 -0.292 0.000 0.830 199 V CB 0.501 32.106 31.823 -0.362 0.000 1.080 199 V HN 0.823 nan 8.190 nan 0.000 0.467 200 G N 3.312 112.021 108.800 -0.153 0.000 2.932 200 G HA2 0.693 4.692 3.960 0.064 0.000 0.283 200 G HA3 0.693 4.692 3.960 0.064 0.000 0.283 200 G C -0.931 173.985 174.900 0.026 0.000 1.336 200 G CA -0.601 44.464 45.100 -0.059 0.000 1.056 200 G HN 0.484 nan 8.290 nan 0.000 0.522 201 N N -1.115 117.650 118.700 0.108 0.000 2.831 201 N HA 0.242 5.021 4.740 0.064 0.000 0.276 201 N C 0.148 175.833 175.510 0.291 0.000 1.416 201 N CA -0.725 52.450 53.050 0.208 0.000 0.799 201 N CB 1.448 40.044 38.487 0.182 0.000 1.554 201 N HN 0.521 nan 8.380 nan 0.000 0.541 202 N N -1.323 117.570 118.700 0.322 0.000 2.268 202 N HA 0.001 4.780 4.740 0.064 0.000 0.204 202 N C -0.419 175.331 175.510 0.401 0.000 1.124 202 N CA -0.096 53.198 53.050 0.407 0.000 0.838 202 N CB -0.140 38.566 38.487 0.366 0.000 0.994 202 N HN 0.553 nan 8.380 nan 0.000 0.489 203 T N -3.632 110.967 114.554 0.076 0.000 2.916 203 T HA 0.477 4.865 4.350 0.064 0.000 0.292 203 T C -2.608 171.464 174.700 -1.047 0.000 1.055 203 T CA -1.659 60.047 62.100 -0.658 0.000 1.009 203 T CB 2.912 71.279 68.868 -0.836 0.000 1.118 203 T HN -0.241 nan 8.240 nan 0.000 0.497 204 P HA 0.226 nan 4.420 nan 0.000 0.249 204 P C 0.287 177.080 177.300 -0.844 0.000 1.229 204 P CA 0.027 62.232 63.100 -1.492 0.000 0.788 204 P CB -0.153 30.621 31.700 -1.545 0.000 1.072 205 I N -4.534 115.524 120.570 -0.853 0.000 3.279 205 I HA 0.547 4.755 4.170 0.064 0.000 0.315 205 I C -1.464 174.402 176.117 -0.419 0.000 1.187 205 I CA -1.970 58.974 61.300 -0.594 0.000 0.953 205 I CB 1.493 39.096 38.000 -0.663 0.000 1.279 205 I HN -0.243 nan 8.210 nan 0.000 0.465 206 F N 0.446 120.123 119.950 -0.454 0.000 2.613 206 F HA 0.518 5.085 4.527 0.067 0.000 0.342 206 F C 0.353 175.916 175.800 -0.395 0.000 1.066 206 F CA -0.761 57.007 58.000 -0.386 0.000 1.002 206 F CB 1.962 40.871 39.000 -0.152 0.000 1.319 206 F HN 0.389 nan 8.300 nan 0.000 0.495 207 F N 2.194 121.349 119.950 -1.326 0.000 2.325 207 F HA 0.034 4.599 4.527 0.063 0.000 0.299 207 F C 0.681 176.173 175.800 -0.513 0.000 1.090 207 F CA 0.809 58.231 58.000 -0.964 0.000 1.392 207 F CB -0.116 37.894 39.000 -1.650 0.000 1.053 207 F HN 0.133 nan 8.300 nan 0.000 0.521 208 I N -3.427 117.101 120.570 -0.071 0.000 3.002 208 I HA 0.370 4.579 4.170 0.064 0.000 0.310 208 I C 0.339 176.614 176.117 0.262 0.000 1.087 208 I CA -0.846 60.548 61.300 0.157 0.000 1.017 208 I CB 1.914 40.077 38.000 0.272 0.000 1.226 208 I HN -0.172 nan 8.210 nan 0.000 0.443 209 Q N 0.288 120.240 119.800 0.254 0.000 2.259 209 Q HA 0.149 4.528 4.340 0.064 0.000 0.201 209 Q C -0.311 175.869 176.000 0.299 0.000 0.938 209 Q CA 0.619 56.611 55.803 0.314 0.000 0.872 209 Q CB 0.518 29.508 28.738 0.421 0.000 0.971 209 Q HN 0.632 nan 8.270 nan 0.000 0.494 210 D N -1.049 119.499 120.400 0.247 0.000 2.505 210 D HA 0.307 4.985 4.640 0.064 0.000 0.249 210 D C -0.017 176.413 176.300 0.217 0.000 1.082 210 D CA -0.210 53.904 54.000 0.190 0.000 0.839 210 D CB 1.856 42.741 40.800 0.142 0.000 1.317 210 D HN 0.052 nan 8.370 nan 0.000 0.497 211 A N 3.337 126.254 122.820 0.162 0.000 2.076 211 A HA -0.239 4.119 4.320 0.064 0.000 0.220 211 A C 1.763 179.472 177.584 0.209 0.000 1.160 211 A CA 1.653 53.780 52.037 0.150 0.000 0.653 211 A CB -0.719 18.311 19.000 0.050 0.000 0.801 211 A HN 0.805 nan 8.150 nan 0.000 0.455 212 H N -0.161 118.972 119.070 0.106 0.000 2.489 212 H HA 0.039 4.633 4.556 0.062 0.000 0.293 212 H C 1.528 176.938 175.328 0.137 0.000 1.066 212 H CA 1.699 57.803 56.048 0.092 0.000 1.305 212 H CB 0.042 29.833 29.762 0.048 0.000 1.386 212 H HN 0.388 nan 8.280 nan 0.000 0.551 213 K N -0.546 119.980 120.400 0.210 0.000 2.404 213 K HA -0.025 4.334 4.320 0.064 0.000 0.194 213 K C 1.174 177.916 176.600 0.236 0.000 1.023 213 K CA -0.087 56.319 56.287 0.199 0.000 1.094 213 K CB 0.081 32.755 32.500 0.291 0.000 0.841 213 K HN 0.287 nan 8.250 nan 0.000 0.523 214 F N 2.895 122.900 119.950 0.091 0.000 2.095 214 F HA -0.137 4.428 4.527 0.064 0.000 0.298 214 F C -1.041 174.765 175.800 0.011 0.000 1.104 214 F CA 1.320 59.398 58.000 0.130 0.000 1.232 214 F CB -0.354 38.713 39.000 0.112 0.000 0.987 214 F HN 0.025 nan 8.300 nan 0.000 0.475 215 P HA -0.119 nan 4.420 nan 0.000 0.221 215 P C 0.943 177.915 177.300 -0.547 0.000 1.150 215 P CA 1.573 64.423 63.100 -0.416 0.000 0.800 215 P CB -0.060 31.409 31.700 -0.384 0.000 0.787 216 D N -1.133 119.096 120.400 -0.284 0.000 2.097 216 D HA -0.154 4.525 4.640 0.064 0.000 0.197 216 D C 1.800 177.800 176.300 -0.499 0.000 0.984 216 D CA 1.051 54.928 54.000 -0.206 0.000 0.826 216 D CB -0.847 40.010 40.800 0.094 0.000 0.973 216 D HN 0.164 nan 8.370 nan 0.000 0.460 217 F N 1.879 121.414 119.950 -0.691 0.000 2.102 217 F HA -0.218 4.347 4.527 0.063 0.000 0.298 217 F C 2.261 177.664 175.800 -0.662 0.000 1.105 217 F CA 1.147 58.536 58.000 -1.018 0.000 1.239 217 F CB -0.186 38.431 39.000 -0.639 0.000 0.991 217 F HN -0.253 nan 8.300 nan 0.000 0.474 218 V N 0.286 119.756 119.914 -0.741 0.000 2.358 218 V HA -0.327 3.832 4.120 0.064 0.000 0.246 218 V C 2.271 178.117 176.094 -0.413 0.000 1.047 218 V CA 2.412 64.308 62.300 -0.673 0.000 1.035 218 V CB -1.074 30.384 31.823 -0.608 0.000 0.658 218 V HN 0.470 nan 8.190 nan 0.000 0.452 219 H N -0.208 118.615 119.070 -0.412 0.000 2.387 219 H HA -0.137 4.457 4.556 0.064 0.000 0.299 219 H C 2.321 177.490 175.328 -0.265 0.000 1.099 219 H CA 1.048 56.940 56.048 -0.260 0.000 1.315 219 H CB 0.046 29.709 29.762 -0.165 0.000 1.380 219 H HN 0.489 nan 8.280 nan 0.000 0.513 220 A N 0.426 123.064 122.820 -0.303 0.000 1.930 220 A HA -0.106 4.252 4.320 0.064 0.000 0.217 220 A C 2.499 179.925 177.584 -0.264 0.000 1.175 220 A CA 1.296 53.156 52.037 -0.296 0.000 0.627 220 A CB -0.684 18.029 19.000 -0.477 0.000 0.815 220 A HN 0.302 nan 8.150 nan 0.000 0.443 221 V N -0.287 119.324 119.914 -0.505 0.000 2.719 221 V HA -0.008 4.151 4.120 0.064 0.000 0.252 221 V C 0.943 176.997 176.094 -0.066 0.000 1.065 221 V CA 0.970 63.058 62.300 -0.353 0.000 1.086 221 V CB -0.471 30.945 31.823 -0.679 0.000 0.700 221 V HN 0.324 nan 8.190 nan 0.000 0.467 222 K N 0.797 121.128 120.400 -0.115 0.000 2.149 222 K HA 0.259 4.618 4.320 0.064 0.000 0.245 222 K C -2.327 174.227 176.600 -0.078 0.000 1.024 222 K CA -1.836 54.398 56.287 -0.089 0.000 0.899 222 K CB -0.162 32.276 32.500 -0.103 0.000 1.038 222 K HN 0.144 nan 8.250 nan 0.000 0.496 223 P HA -0.020 nan 4.420 nan 0.000 0.265 223 P C -0.530 176.709 177.300 -0.102 0.000 1.193 223 P CA 0.430 63.397 63.100 -0.223 0.000 0.765 223 P CB 0.356 31.934 31.700 -0.204 0.000 0.823 224 E N 5.388 125.572 120.200 -0.027 0.000 2.398 224 E HA 0.001 4.390 4.350 0.064 0.000 0.263 224 E C -1.297 175.372 176.600 0.116 0.000 1.046 224 E CA -1.307 55.182 56.400 0.149 0.000 0.908 224 E CB 0.175 30.090 29.700 0.358 0.000 0.963 224 E HN 0.428 nan 8.360 nan 0.000 0.431 225 P HA -0.166 nan 4.420 nan 0.000 0.227 225 P C 1.000 178.364 177.300 0.106 0.000 1.161 225 P CA 1.199 64.333 63.100 0.057 0.000 0.788 225 P CB 0.075 31.787 31.700 0.019 0.000 0.822 226 H N -0.458 118.649 119.070 0.060 0.000 2.326 226 H HA -0.091 4.503 4.556 0.064 0.000 0.301 226 H C 1.419 176.849 175.328 0.170 0.000 1.081 226 H CA 1.501 57.576 56.048 0.044 0.000 1.334 226 H CB -1.313 28.405 29.762 -0.073 0.000 1.385 226 H HN 0.289 nan 8.280 nan 0.000 0.504 227 W N 0.022 120.939 121.300 -0.638 0.000 2.870 227 W HA 0.694 5.392 4.660 0.063 0.000 0.358 227 W C 0.461 176.810 176.519 -0.283 0.000 1.043 227 W CA -1.103 56.000 57.345 -0.403 0.000 1.692 227 W CB -0.763 28.445 29.460 -0.420 0.000 1.100 227 W HN 0.444 nan 8.180 nan 0.000 0.557 228 A N 1.446 124.237 122.820 -0.047 0.000 2.610 228 A HA -0.151 4.208 4.320 0.064 0.000 0.299 228 A C -0.370 176.984 177.584 -0.383 0.000 1.487 228 A CA 1.491 53.426 52.037 -0.170 0.000 0.743 228 A CB -2.404 16.523 19.000 -0.122 0.000 1.070 228 A HN 0.469 nan 8.150 nan 0.000 0.439 229 I N 0.551 120.750 120.570 -0.619 0.000 2.647 229 I HA 0.548 4.757 4.170 0.064 0.000 0.295 229 I C -2.483 173.316 176.117 -0.531 0.000 1.078 229 I CA -2.373 58.456 61.300 -0.785 0.000 1.048 229 I CB 2.976 40.018 38.000 -1.596 0.000 1.239 229 I HN 0.207 nan 8.210 nan 0.000 0.421 230 P HA 0.304 nan 4.420 nan 0.000 0.296 230 P C -1.521 175.619 177.300 -0.267 0.000 1.310 230 P CA -0.842 62.036 63.100 -0.369 0.000 0.900 230 P CB 1.806 33.364 31.700 -0.235 0.000 1.111 231 Q N 1.027 120.713 119.800 -0.190 0.000 2.314 231 Q HA 0.456 4.835 4.340 0.064 0.000 0.258 231 Q C 1.175 177.139 176.000 -0.060 0.000 0.954 231 Q CA 1.265 56.996 55.803 -0.120 0.000 0.890 231 Q CB -0.363 28.316 28.738 -0.098 0.000 1.210 231 Q HN 0.824 nan 8.270 nan 0.000 0.410 232 G N 3.092 111.867 108.800 -0.041 0.000 2.198 232 G HA2 -0.289 3.710 3.960 0.064 0.000 0.260 232 G HA3 -0.289 3.710 3.960 0.064 0.000 0.260 232 G C -0.408 174.507 174.900 0.026 0.000 1.025 232 G CA 0.515 45.617 45.100 0.003 0.000 0.769 232 G HN 0.544 nan 8.290 nan 0.000 0.507 233 Q N -1.068 118.733 119.800 0.001 0.000 2.309 233 Q HA 0.523 4.901 4.340 0.064 0.000 0.273 233 Q C 0.717 176.724 176.000 0.011 0.000 1.040 233 Q CA -0.100 55.728 55.803 0.042 0.000 0.834 233 Q CB 1.749 30.553 28.738 0.110 0.000 1.345 233 Q HN 0.445 nan 8.270 nan 0.000 0.414 234 S N -0.489 115.108 115.700 -0.171 0.000 2.593 234 S HA 0.193 4.702 4.470 0.064 0.000 0.217 234 S C 0.855 175.356 174.600 -0.166 0.000 0.966 234 S CA -0.001 57.855 58.200 -0.574 0.000 0.914 234 S CB 0.297 62.593 63.200 -1.507 0.000 0.776 234 S HN 0.582 nan 8.310 nan 0.000 0.523 235 A N 2.323 125.256 122.820 0.189 0.000 3.056 235 A HA 0.557 4.915 4.320 0.064 0.000 0.274 235 A C 0.077 177.891 177.584 0.383 0.000 1.661 235 A CA -0.633 51.603 52.037 0.331 0.000 1.363 235 A CB -1.115 18.023 19.000 0.231 0.000 1.139 235 A HN 0.886 nan 8.150 nan 0.000 0.598 236 H N -3.430 115.833 119.070 0.323 0.000 3.003 236 H HA 0.468 5.063 4.556 0.064 0.000 0.327 236 H C -0.357 175.165 175.328 0.324 0.000 1.353 236 H CA -0.745 55.458 56.048 0.259 0.000 1.142 236 H CB 0.223 30.095 29.762 0.184 0.000 1.864 236 H HN 0.064 nan 8.280 nan 0.000 0.529 237 D N 0.124 120.708 120.400 0.306 0.000 2.123 237 D HA -0.177 4.501 4.640 0.064 0.000 0.196 237 D C 2.112 178.487 176.300 0.125 0.000 0.992 237 D CA 2.916 57.030 54.000 0.189 0.000 0.833 237 D CB -0.287 40.599 40.800 0.144 0.000 0.954 237 D HN 0.769 nan 8.370 nan 0.000 0.455 238 T N -1.581 113.048 114.554 0.124 0.000 2.788 238 T HA -0.199 4.190 4.350 0.064 0.000 0.268 238 T C 1.907 176.562 174.700 -0.075 0.000 1.044 238 T CA 0.672 62.806 62.100 0.056 0.000 1.139 238 T CB -0.678 68.269 68.868 0.132 0.000 0.867 238 T HN 0.176 nan 8.240 nan 0.000 0.454 239 F N 0.523 120.181 119.950 -0.487 0.000 2.113 239 F HA 0.140 4.705 4.527 0.063 0.000 0.297 239 F C 1.842 177.392 175.800 -0.417 0.000 1.103 239 F CA 0.485 58.128 58.000 -0.595 0.000 1.248 239 F CB -0.518 37.932 39.000 -0.915 0.000 0.999 239 F HN 0.135 nan 8.300 nan 0.000 0.475 240 W N 0.722 121.988 121.300 -0.057 0.000 2.467 240 W HA -0.086 4.614 4.660 0.066 0.000 0.275 240 W C 2.308 178.756 176.519 -0.117 0.000 1.239 240 W CA 1.046 58.338 57.345 -0.089 0.000 1.266 240 W CB -0.602 28.888 29.460 0.050 0.000 1.112 240 W HN 0.072 nan 8.180 nan 0.000 0.576 241 D N -0.464 119.984 120.400 0.079 0.000 2.087 241 D HA -0.314 4.364 4.640 0.064 0.000 0.192 241 D C 1.895 178.194 176.300 -0.001 0.000 0.993 241 D CA 1.672 55.697 54.000 0.042 0.000 0.828 241 D CB -0.646 40.189 40.800 0.059 0.000 0.968 241 D HN 0.181 nan 8.370 nan 0.000 0.448 242 Y N 0.425 120.618 120.300 -0.177 0.000 2.128 242 Y HA -0.230 4.359 4.550 0.064 0.000 0.284 242 Y C 2.325 178.084 175.900 -0.234 0.000 1.154 242 Y CA 1.677 59.656 58.100 -0.201 0.000 1.149 242 Y CB -0.477 37.826 38.460 -0.262 0.000 0.976 242 Y HN -0.088 nan 8.280 nan 0.000 0.505 243 V N 0.087 119.869 119.914 -0.220 0.000 2.332 243 V HA -0.354 3.804 4.120 0.064 0.000 0.248 243 V C 2.580 178.614 176.094 -0.100 0.000 1.055 243 V CA 2.279 64.444 62.300 -0.226 0.000 1.038 243 V CB -1.227 30.360 31.823 -0.393 0.000 0.651 243 V HN 0.670 nan 8.190 nan 0.000 0.450 244 S N -0.272 115.413 115.700 -0.024 0.000 2.423 244 S HA -0.055 4.454 4.470 0.064 0.000 0.231 244 S C 1.721 176.287 174.600 -0.057 0.000 1.014 244 S CA 1.300 59.508 58.200 0.013 0.000 0.965 244 S CB -0.461 62.775 63.200 0.060 0.000 0.785 244 S HN 0.556 nan 8.310 nan 0.000 0.495 245 L N 0.029 121.170 121.223 -0.136 0.000 2.567 245 L HA 0.304 4.683 4.340 0.064 0.000 0.225 245 L C 0.546 177.240 176.870 -0.293 0.000 1.119 245 L CA 0.192 54.922 54.840 -0.183 0.000 0.871 245 L CB 0.007 41.960 42.059 -0.176 0.000 1.036 245 L HN 0.262 nan 8.230 nan 0.000 0.459 246 Q N 0.090 119.673 119.800 -0.361 0.000 3.429 246 Q HA 0.221 4.600 4.340 0.064 0.000 0.237 246 Q C -1.953 173.817 176.000 -0.383 0.000 0.932 246 Q CA -1.376 54.167 55.803 -0.434 0.000 0.731 246 Q CB 1.480 29.844 28.738 -0.622 0.000 1.383 246 Q HN -0.012 nan 8.270 nan 0.000 0.446 247 P HA -0.228 nan 4.420 nan 0.000 0.223 247 P C 1.039 178.026 177.300 -0.522 0.000 1.144 247 P CA 1.118 63.959 63.100 -0.432 0.000 0.783 247 P CB 0.245 31.660 31.700 -0.474 0.000 0.771 248 E N 0.821 120.570 120.200 -0.751 0.000 2.219 248 E HA -0.213 4.176 4.350 0.064 0.000 0.198 248 E C 1.486 178.032 176.600 -0.090 0.000 0.998 248 E CA 1.991 58.215 56.400 -0.293 0.000 0.818 248 E CB -1.338 28.257 29.700 -0.175 0.000 0.741 248 E HN 0.296 nan 8.360 nan 0.000 0.477 249 T N -0.745 113.755 114.554 -0.090 0.000 3.072 249 T HA 0.007 4.395 4.350 0.064 0.000 0.266 249 T C 1.921 176.671 174.700 0.084 0.000 1.127 249 T CA 0.550 62.660 62.100 0.016 0.000 1.107 249 T CB -0.309 68.591 68.868 0.053 0.000 0.910 249 T HN 0.169 nan 8.240 nan 0.000 0.513 250 L N -0.031 121.248 121.223 0.092 0.000 2.131 250 L HA -0.055 4.324 4.340 0.064 0.000 0.210 250 L C 2.844 179.868 176.870 0.257 0.000 1.092 250 L CA 1.676 56.644 54.840 0.213 0.000 0.759 250 L CB -0.783 41.416 42.059 0.232 0.000 0.903 250 L HN 0.472 nan 8.230 nan 0.000 0.435 251 H N 0.153 119.257 119.070 0.057 0.000 2.290 251 H HA -0.217 4.377 4.556 0.064 0.000 0.298 251 H C 2.131 177.440 175.328 -0.031 0.000 1.087 251 H CA 1.879 57.954 56.048 0.045 0.000 1.291 251 H CB 0.213 29.976 29.762 0.001 0.000 1.369 251 H HN 0.366 nan 8.280 nan 0.000 0.492 252 N N -0.136 118.366 118.700 -0.331 0.000 2.331 252 N HA -0.118 4.661 4.740 0.064 0.000 0.180 252 N C 1.928 177.217 175.510 -0.368 0.000 1.019 252 N CA 0.642 53.259 53.050 -0.721 0.000 0.881 252 N CB 0.311 37.887 38.487 -1.518 0.000 0.972 252 N HN 0.124 nan 8.380 nan 0.000 0.435 253 V N 1.628 121.555 119.914 0.022 0.000 2.343 253 V HA -0.252 3.906 4.120 0.064 0.000 0.247 253 V C 2.511 178.714 176.094 0.181 0.000 1.051 253 V CA 1.247 63.714 62.300 0.280 0.000 1.036 253 V CB -0.370 31.692 31.823 0.398 0.000 0.654 253 V HN 0.396 nan 8.190 nan 0.000 0.451 254 M N -1.494 118.252 119.600 0.244 0.000 2.082 254 M HA -0.223 4.296 4.480 0.064 0.000 0.258 254 M C 2.068 178.347 176.300 -0.034 0.000 1.069 254 M CA 1.912 57.354 55.300 0.237 0.000 1.102 254 M CB -1.284 31.474 32.600 0.263 0.000 1.336 254 M HN 0.481 nan 8.290 nan 0.000 0.404 255 W N 0.278 121.292 121.300 -0.477 0.000 2.363 255 W HA -0.057 4.642 4.660 0.066 0.000 0.296 255 W C 2.754 179.197 176.519 -0.126 0.000 1.212 255 W CA 1.714 58.766 57.345 -0.489 0.000 1.260 255 W CB -0.941 28.162 29.460 -0.595 0.000 1.131 255 W HN 0.289 nan 8.180 nan 0.000 0.530 256 A N -0.591 122.304 122.820 0.124 0.000 1.930 256 A HA -0.179 4.180 4.320 0.064 0.000 0.217 256 A C 1.935 179.566 177.584 0.077 0.000 1.175 256 A CA 1.647 53.763 52.037 0.131 0.000 0.627 256 A CB -0.583 18.527 19.000 0.184 0.000 0.815 256 A HN 0.084 nan 8.150 nan 0.000 0.443 257 M N 0.738 120.335 119.600 -0.004 0.000 2.419 257 M HA 0.012 4.531 4.480 0.064 0.000 0.264 257 M C 1.480 177.822 176.300 0.070 0.000 1.082 257 M CA 0.802 56.042 55.300 -0.100 0.000 1.119 257 M CB -1.457 30.818 32.600 -0.542 0.000 1.398 257 M HN 0.539 nan 8.290 nan 0.000 0.453 258 S N 0.445 116.249 115.700 0.174 0.000 2.608 258 S HA 0.059 4.568 4.470 0.064 0.000 0.261 258 S C 0.740 175.479 174.600 0.231 0.000 1.314 258 S CA -0.420 57.928 58.200 0.247 0.000 0.992 258 S CB 0.965 64.367 63.200 0.337 0.000 0.935 258 S HN 0.198 nan 8.310 nan 0.000 0.564 259 D N 0.421 120.977 120.400 0.260 0.000 2.384 259 D HA -0.023 4.655 4.640 0.064 0.000 0.222 259 D C 1.799 178.252 176.300 0.256 0.000 0.976 259 D CA 0.438 54.612 54.000 0.289 0.000 0.915 259 D CB -0.161 40.875 40.800 0.393 0.000 0.896 259 D HN 0.407 nan 8.370 nan 0.000 0.523 260 R N 0.121 120.768 120.500 0.246 0.000 2.200 260 R HA -0.050 4.329 4.340 0.064 0.000 0.234 260 R C 2.028 178.493 176.300 0.275 0.000 1.127 260 R CA 0.893 57.164 56.100 0.286 0.000 0.989 260 R CB -0.719 29.828 30.300 0.412 0.000 0.869 260 R HN 0.188 nan 8.270 nan 0.000 0.459 261 G N 1.163 110.110 108.800 0.245 0.000 2.744 261 G HA2 -0.003 3.995 3.960 0.064 0.000 0.211 261 G HA3 -0.003 3.995 3.960 0.064 0.000 0.211 261 G C 1.007 176.052 174.900 0.242 0.000 1.143 261 G CA 0.050 45.283 45.100 0.223 0.000 0.788 261 G HN 0.410 nan 8.290 nan 0.000 0.534 262 I N -2.243 118.481 120.570 0.257 0.000 2.917 262 I HA 0.357 4.566 4.170 0.064 0.000 0.292 262 I C -2.901 173.374 176.117 0.265 0.000 1.510 262 I CA -2.536 58.923 61.300 0.264 0.000 0.858 262 I CB 1.808 39.970 38.000 0.270 0.000 1.862 262 I HN -0.264 nan 8.210 nan 0.000 0.615 263 P HA 0.091 nan 4.420 nan 0.000 0.269 263 P C 0.510 177.960 177.300 0.249 0.000 1.215 263 P CA -0.177 63.034 63.100 0.186 0.000 0.780 263 P CB 1.260 33.001 31.700 0.067 0.000 0.898 264 R N 1.634 122.261 120.500 0.212 0.000 2.115 264 R HA 0.032 4.411 4.340 0.064 0.000 0.230 264 R C 0.418 176.879 176.300 0.269 0.000 1.111 264 R CA 1.355 57.628 56.100 0.288 0.000 0.976 264 R CB -0.465 29.969 30.300 0.224 0.000 0.870 264 R HN 0.555 nan 8.270 nan 0.000 0.445 265 S N -2.797 112.850 115.700 -0.088 0.000 2.565 265 S HA 0.212 4.721 4.470 0.064 0.000 0.274 265 S C -0.442 173.843 174.600 -0.526 0.000 1.144 265 S CA -0.834 57.155 58.200 -0.352 0.000 0.849 265 S CB 0.052 63.173 63.200 -0.132 0.000 1.103 265 S HN 0.092 nan 8.310 nan 0.000 0.455 266 Y N 2.240 122.175 120.300 -0.608 0.000 2.421 266 Y HA 0.089 4.678 4.550 0.066 0.000 0.292 266 Y C 2.317 177.858 175.900 -0.599 0.000 1.136 266 Y CA 1.027 58.641 58.100 -0.809 0.000 1.255 266 Y CB -0.261 37.313 38.460 -1.477 0.000 0.991 266 Y HN 0.570 nan 8.280 nan 0.000 0.552 267 R N -0.600 119.755 120.500 -0.243 0.000 2.235 267 R HA -0.030 4.349 4.340 0.064 0.000 0.213 267 R C 1.076 177.331 176.300 -0.074 0.000 1.059 267 R CA 1.496 57.513 56.100 -0.139 0.000 0.997 267 R CB -0.388 29.827 30.300 -0.143 0.000 0.884 267 R HN 0.313 nan 8.270 nan 0.000 0.462 268 T N -1.912 112.615 114.554 -0.044 0.000 3.355 268 T HA 0.342 4.731 4.350 0.064 0.000 0.276 268 T C 0.176 174.917 174.700 0.069 0.000 1.003 268 T CA -0.710 61.397 62.100 0.010 0.000 0.943 268 T CB -0.059 68.801 68.868 -0.013 0.000 1.158 268 T HN 0.077 nan 8.240 nan 0.000 0.513 269 M N -0.931 118.749 119.600 0.134 0.000 2.644 269 M HA 0.733 5.252 4.480 0.064 0.000 0.304 269 M C -1.029 175.452 176.300 0.301 0.000 1.215 269 M CA -0.895 54.527 55.300 0.204 0.000 0.871 269 M CB 2.025 34.743 32.600 0.198 0.000 1.740 269 M HN -0.142 nan 8.290 nan 0.000 0.464 270 E N 0.595 120.966 120.200 0.285 0.000 2.374 270 E HA 0.583 4.972 4.350 0.064 0.000 0.260 270 E C -0.171 176.501 176.600 0.120 0.000 1.101 270 E CA -0.451 56.042 56.400 0.155 0.000 0.907 270 E CB 1.384 31.083 29.700 -0.002 0.000 1.014 270 E HN 0.851 nan 8.360 nan 0.000 0.427 271 G N 0.961 109.682 108.800 -0.131 0.000 2.481 271 G HA2 0.636 4.634 3.960 0.064 0.000 0.315 271 G HA3 0.636 4.634 3.960 0.064 0.000 0.315 271 G C -1.375 173.097 174.900 -0.713 0.000 1.231 271 G CA -0.476 44.501 45.100 -0.206 0.000 0.968 271 G HN 0.303 nan 8.290 nan 0.000 0.482 272 F N -0.744 119.135 119.950 -0.117 0.000 2.601 272 F HA 0.505 5.070 4.527 0.063 0.000 0.309 272 F C 1.031 176.732 175.800 -0.165 0.000 1.089 272 F CA -0.600 57.255 58.000 -0.241 0.000 0.940 272 F CB 2.557 41.365 39.000 -0.321 0.000 1.273 272 F HN 0.595 nan 8.300 nan 0.000 0.450 273 G N -0.547 108.310 108.800 0.095 0.000 2.985 273 G HA2 0.188 4.187 3.960 0.064 0.000 0.209 273 G HA3 0.188 4.187 3.960 0.064 0.000 0.209 273 G C 0.713 175.675 174.900 0.102 0.000 1.165 273 G CA 0.648 45.853 45.100 0.174 0.000 0.776 273 G HN 0.999 nan 8.290 nan 0.000 0.541 274 C N -1.236 118.021 119.300 -0.073 0.000 5.885 274 C HA -0.169 4.329 4.460 0.064 0.000 0.328 274 C C 0.866 175.553 174.990 -0.504 0.000 2.430 274 C CA 0.794 59.599 59.018 -0.355 0.000 2.194 274 C CB -1.948 25.462 27.740 -0.549 0.000 3.233 274 C HN 0.607 nan 8.230 nan 0.000 0.263 275 H N 0.212 119.321 119.070 0.064 0.000 2.651 275 H HA 0.485 5.081 4.556 0.066 0.000 0.353 275 H C -0.071 175.233 175.328 -0.039 0.000 1.178 275 H CA 0.118 56.123 56.048 -0.072 0.000 1.224 275 H CB 0.574 30.151 29.762 -0.309 0.000 1.702 275 H HN 0.312 nan 8.280 nan 0.000 0.550 276 T N 2.706 117.265 114.554 0.008 0.000 2.799 276 T HA 0.210 4.599 4.350 0.064 0.000 0.296 276 T C 0.156 174.822 174.700 -0.057 0.000 0.947 276 T CA 0.194 62.278 62.100 -0.028 0.000 1.141 276 T CB -0.421 68.374 68.868 -0.121 0.000 0.891 276 T HN 0.208 nan 8.240 nan 0.000 0.533 277 F N 1.275 121.177 119.950 -0.080 0.000 2.629 277 F HA 0.640 5.205 4.527 0.062 0.000 0.386 277 F C 1.093 176.847 175.800 -0.078 0.000 1.135 277 F CA -1.391 56.589 58.000 -0.034 0.000 1.116 277 F CB 1.342 40.312 39.000 -0.050 0.000 1.426 277 F HN 0.183 nan 8.300 nan 0.000 0.501 278 R N 0.599 121.159 120.500 0.100 0.000 2.637 278 R HA 0.629 5.008 4.340 0.064 0.000 0.291 278 R C -1.538 174.647 176.300 -0.191 0.000 0.963 278 R CA -0.831 55.190 56.100 -0.131 0.000 0.901 278 R CB 1.795 31.956 30.300 -0.231 0.000 1.160 278 R HN 0.428 nan 8.270 nan 0.000 0.457 279 L N 3.664 124.723 121.223 -0.273 0.000 2.322 279 L HA 0.540 4.919 4.340 0.064 0.000 0.279 279 L C -0.415 176.295 176.870 -0.266 0.000 1.036 279 L CA -0.896 53.793 54.840 -0.252 0.000 0.807 279 L CB 1.237 43.153 42.059 -0.240 0.000 1.226 279 L HN 0.367 nan 8.230 nan 0.000 0.433 280 I N 2.587 123.027 120.570 -0.215 0.000 2.447 280 I HA 0.271 4.480 4.170 0.064 0.000 0.287 280 I C -0.326 175.706 176.117 -0.141 0.000 1.023 280 I CA -0.686 60.492 61.300 -0.203 0.000 1.083 280 I CB 1.368 39.257 38.000 -0.184 0.000 1.245 280 I HN 0.641 nan 8.210 nan 0.000 0.434 281 N N 4.942 123.571 118.700 -0.119 0.000 2.476 281 N HA 0.395 5.174 4.740 0.064 0.000 0.287 281 N C 0.835 176.306 175.510 -0.064 0.000 1.262 281 N CA -0.288 52.712 53.050 -0.083 0.000 0.980 281 N CB 0.694 39.139 38.487 -0.070 0.000 1.163 281 N HN 0.515 nan 8.380 nan 0.000 0.592 282 A N -0.615 122.176 122.820 -0.048 0.000 2.015 282 A HA -0.096 4.263 4.320 0.064 0.000 0.219 282 A C 1.442 179.007 177.584 -0.032 0.000 1.163 282 A CA 1.020 53.034 52.037 -0.038 0.000 0.646 282 A CB -0.593 18.390 19.000 -0.028 0.000 0.806 282 A HN 0.680 nan 8.150 nan 0.000 0.448 283 E N -0.986 119.197 120.200 -0.029 0.000 2.516 283 E HA 0.118 4.507 4.350 0.064 0.000 0.199 283 E C 1.368 177.959 176.600 -0.014 0.000 1.069 283 E CA 0.702 57.090 56.400 -0.021 0.000 0.876 283 E CB -0.466 29.223 29.700 -0.019 0.000 0.843 283 E HN 0.823 nan 8.360 nan 0.000 0.530 284 G N 1.603 110.391 108.800 -0.019 0.000 2.175 284 G HA2 -0.332 3.666 3.960 0.064 0.000 0.244 284 G HA3 -0.332 3.666 3.960 0.064 0.000 0.244 284 G C 0.396 175.314 174.900 0.031 0.000 0.982 284 G CA 0.338 45.446 45.100 0.014 0.000 0.641 284 G HN 0.302 nan 8.290 nan 0.000 0.527 285 K N 1.047 121.428 120.400 -0.032 0.000 2.379 285 K HA 0.591 4.949 4.320 0.064 0.000 0.284 285 K C 0.625 177.094 176.600 -0.218 0.000 1.044 285 K CA 0.303 56.542 56.287 -0.079 0.000 0.974 285 K CB 0.366 32.821 32.500 -0.075 0.000 0.962 285 K HN 0.563 nan 8.250 nan 0.000 0.474 286 A N 3.724 126.302 122.820 -0.403 0.000 2.290 286 A HA 0.374 4.733 4.320 0.064 0.000 0.310 286 A C -0.644 176.617 177.584 -0.539 0.000 1.202 286 A CA -0.463 51.172 52.037 -0.670 0.000 0.837 286 A CB 1.060 19.212 19.000 -1.413 0.000 1.139 286 A HN 0.714 nan 8.150 nan 0.000 0.509 287 T N 2.509 116.786 114.554 -0.463 0.000 2.829 287 T HA 0.546 4.934 4.350 0.064 0.000 0.280 287 T C -0.568 173.894 174.700 -0.397 0.000 0.999 287 T CA -0.053 61.824 62.100 -0.371 0.000 0.983 287 T CB 0.434 69.181 68.868 -0.201 0.000 0.968 287 T HN 0.343 nan 8.240 nan 0.000 0.446 288 F N 1.968 121.826 119.950 -0.153 0.000 2.418 288 F HA 0.535 5.099 4.527 0.063 0.000 0.341 288 F C 0.556 176.239 175.800 -0.195 0.000 1.120 288 F CA -0.442 57.462 58.000 -0.159 0.000 1.232 288 F CB 0.691 39.621 39.000 -0.117 0.000 1.175 288 F HN 0.175 nan 8.300 nan 0.000 0.569 289 V N 4.480 124.355 119.914 -0.065 0.000 2.888 289 V HA 0.590 4.748 4.120 0.064 0.000 0.309 289 V C -0.984 174.885 176.094 -0.375 0.000 1.114 289 V CA -0.741 61.364 62.300 -0.325 0.000 0.940 289 V CB 2.069 33.468 31.823 -0.706 0.000 1.021 289 V HN 0.770 nan 8.190 nan 0.000 0.426 290 R N 4.631 124.964 120.500 -0.279 0.000 2.562 290 R HA 0.573 4.951 4.340 0.064 0.000 0.298 290 R C -1.665 174.569 176.300 -0.110 0.000 0.961 290 R CA -0.483 55.495 56.100 -0.202 0.000 0.881 290 R CB 2.135 32.442 30.300 0.012 0.000 1.159 290 R HN 0.585 nan 8.270 nan 0.000 0.450 291 F N 2.038 122.028 119.950 0.067 0.000 2.404 291 F HA 0.375 4.940 4.527 0.063 0.000 0.339 291 F C 0.937 176.687 175.800 -0.084 0.000 1.105 291 F CA -0.160 57.847 58.000 0.013 0.000 1.087 291 F CB 0.955 39.844 39.000 -0.184 0.000 1.143 291 F HN 0.205 nan 8.300 nan 0.000 0.491 292 H N 0.961 120.029 119.070 -0.003 0.000 2.747 292 H HA 0.281 4.876 4.556 0.065 0.000 0.371 292 H C -1.513 173.578 175.328 -0.395 0.000 1.161 292 H CA -0.973 54.958 56.048 -0.195 0.000 1.167 292 H CB 2.062 31.799 29.762 -0.042 0.000 1.732 292 H HN 0.667 nan 8.280 nan 0.000 0.544 293 W N 2.178 123.355 121.300 -0.205 0.000 2.600 293 W HA 0.299 4.997 4.660 0.063 0.000 0.325 293 W C -0.212 176.332 176.519 0.043 0.000 1.034 293 W CA -0.783 56.507 57.345 -0.093 0.000 1.226 293 W CB 1.766 30.999 29.460 -0.379 0.000 1.379 293 W HN 0.295 nan 8.180 nan 0.000 0.466 294 K N 5.837 126.507 120.400 0.451 0.000 2.240 294 K HA 0.391 4.750 4.320 0.064 0.000 0.271 294 K C -2.398 174.432 176.600 0.383 0.000 1.018 294 K CA -1.848 54.640 56.287 0.334 0.000 0.874 294 K CB 1.410 34.059 32.500 0.248 0.000 1.098 294 K HN 0.042 nan 8.250 nan 0.000 0.458 295 P HA 0.050 nan 4.420 nan 0.000 0.282 295 P C 0.393 177.705 177.300 0.020 0.000 1.274 295 P CA -0.111 63.063 63.100 0.123 0.000 0.770 295 P CB 0.829 32.618 31.700 0.148 0.000 0.867 296 L N 2.836 124.014 121.223 -0.075 0.000 2.362 296 L HA -0.094 4.285 4.340 0.064 0.000 0.219 296 L C 2.182 179.034 176.870 -0.031 0.000 1.134 296 L CA 1.186 56.015 54.840 -0.019 0.000 0.807 296 L CB -0.569 41.486 42.059 -0.007 0.000 0.927 296 L HN 0.352 nan 8.230 nan 0.000 0.447 297 A N -0.050 122.724 122.820 -0.077 0.000 2.238 297 A HA 0.415 4.773 4.320 0.064 0.000 0.208 297 A C 1.237 178.819 177.584 -0.005 0.000 1.177 297 A CA 0.640 52.648 52.037 -0.047 0.000 0.804 297 A CB -0.415 18.538 19.000 -0.080 0.000 0.823 297 A HN 0.450 nan 8.150 nan 0.000 0.482 298 G N -0.594 108.218 108.800 0.020 0.000 2.756 298 G HA2 -0.141 3.858 3.960 0.064 0.000 0.678 298 G HA3 -0.141 3.858 3.960 0.064 0.000 0.678 298 G C -0.625 174.310 174.900 0.057 0.000 1.349 298 G CA -0.438 44.695 45.100 0.055 0.000 0.847 298 G HN 0.456 nan 8.290 nan 0.000 0.548 299 K N 0.234 120.677 120.400 0.071 0.000 2.227 299 K HA 0.705 5.063 4.320 0.064 0.000 0.280 299 K C 0.253 176.865 176.600 0.019 0.000 1.041 299 K CA 0.279 56.596 56.287 0.050 0.000 0.905 299 K CB 1.654 34.171 32.500 0.030 0.000 1.068 299 K HN 1.420 nan 8.250 nan 0.000 0.470 300 A N 1.806 124.623 122.820 -0.006 0.000 2.566 300 A HA 0.626 4.985 4.320 0.064 0.000 0.297 300 A C -1.157 176.477 177.584 0.084 0.000 1.059 300 A CA -0.673 51.321 52.037 -0.073 0.000 0.691 300 A CB 1.792 20.516 19.000 -0.460 0.000 1.282 300 A HN 0.508 nan 8.150 nan 0.000 0.401 301 S N 0.347 116.246 115.700 0.332 0.000 2.627 301 S HA 0.734 5.242 4.470 0.064 0.000 0.283 301 S C -0.186 174.736 174.600 0.535 0.000 1.127 301 S CA -0.603 57.833 58.200 0.394 0.000 0.863 301 S CB 1.213 64.638 63.200 0.375 0.000 1.121 301 S HN 0.656 nan 8.310 nan 0.000 0.479 302 L N 1.433 122.864 121.223 0.347 0.000 2.482 302 L HA 0.511 4.890 4.340 0.064 0.000 0.242 302 L C 0.172 177.169 176.870 0.211 0.000 1.210 302 L CA -0.663 54.301 54.840 0.206 0.000 0.819 302 L CB 0.193 42.289 42.059 0.063 0.000 1.203 302 L HN 0.512 nan 8.230 nan 0.000 0.495 303 V N -2.892 117.042 119.914 0.034 0.000 2.850 303 V HA 0.196 4.354 4.120 0.064 0.000 0.315 303 V C 0.629 176.670 176.094 -0.089 0.000 1.064 303 V CA -0.766 61.528 62.300 -0.010 0.000 0.979 303 V CB 1.663 33.450 31.823 -0.059 0.000 1.039 303 V HN 0.954 nan 8.190 nan 0.000 0.452 304 W N 1.694 122.867 121.300 -0.213 0.000 2.355 304 W HA -0.181 4.517 4.660 0.064 0.000 0.309 304 W C 1.772 178.137 176.519 -0.255 0.000 1.206 304 W CA 2.399 59.614 57.345 -0.217 0.000 1.284 304 W CB -0.140 29.177 29.460 -0.239 0.000 1.145 304 W HN 0.987 nan 8.180 nan 0.000 0.502 305 D N 0.386 120.487 120.400 -0.499 0.000 2.149 305 D HA -0.296 4.383 4.640 0.064 0.000 0.198 305 D C 2.134 178.081 176.300 -0.589 0.000 0.990 305 D CA 2.149 55.827 54.000 -0.537 0.000 0.839 305 D CB -0.480 40.247 40.800 -0.122 0.000 0.948 305 D HN 0.362 nan 8.370 nan 0.000 0.460 306 E N -0.411 119.325 120.200 -0.773 0.000 2.031 306 E HA -0.214 4.175 4.350 0.064 0.000 0.193 306 E C 2.037 178.297 176.600 -0.567 0.000 0.994 306 E CA 1.102 56.992 56.400 -0.850 0.000 0.800 306 E CB -0.242 28.834 29.700 -1.039 0.000 0.752 306 E HN 0.319 nan 8.360 nan 0.000 0.447 307 A N 1.129 123.645 122.820 -0.507 0.000 1.902 307 A HA -0.259 4.099 4.320 0.064 0.000 0.217 307 A C 2.164 179.422 177.584 -0.544 0.000 1.181 307 A CA 1.841 53.630 52.037 -0.413 0.000 0.623 307 A CB -0.655 18.227 19.000 -0.197 0.000 0.818 307 A HN 0.447 nan 8.150 nan 0.000 0.443 308 Q N -0.561 118.699 119.800 -0.900 0.000 2.083 308 Q HA -0.148 4.230 4.340 0.064 0.000 0.198 308 Q C 2.152 177.868 176.000 -0.474 0.000 0.969 308 Q CA 1.645 56.927 55.803 -0.868 0.000 0.838 308 Q CB -0.145 27.734 28.738 -1.431 0.000 0.900 308 Q HN 0.659 nan 8.270 nan 0.000 0.436 309 K N 0.096 120.240 120.400 -0.427 0.000 2.211 309 K HA -0.143 4.215 4.320 0.064 0.000 0.203 309 K C 2.009 178.468 176.600 -0.235 0.000 1.050 309 K CA 0.667 56.799 56.287 -0.259 0.000 0.945 309 K CB 0.001 32.391 32.500 -0.183 0.000 0.732 309 K HN 0.182 nan 8.250 nan 0.000 0.451 310 L N 1.193 122.236 121.223 -0.300 0.000 2.217 310 L HA -0.098 4.280 4.340 0.064 0.000 0.211 310 L C 2.126 178.868 176.870 -0.212 0.000 1.107 310 L CA 1.962 56.628 54.840 -0.290 0.000 0.783 310 L CB -0.720 41.079 42.059 -0.433 0.000 0.919 310 L HN 0.288 nan 8.230 nan 0.000 0.442 311 T N -4.365 110.068 114.554 -0.202 0.000 2.881 311 T HA -0.046 4.342 4.350 0.064 0.000 0.270 311 T C 1.823 176.467 174.700 -0.095 0.000 1.068 311 T CA 0.948 62.972 62.100 -0.127 0.000 1.131 311 T CB -0.860 67.945 68.868 -0.105 0.000 0.871 311 T HN 0.367 nan 8.240 nan 0.000 0.479 312 G N 1.025 109.760 108.800 -0.107 0.000 2.441 312 G HA2 0.016 4.015 3.960 0.064 0.000 0.212 312 G HA3 0.016 4.015 3.960 0.064 0.000 0.212 312 G C 1.887 176.747 174.900 -0.066 0.000 1.164 312 G CA -0.303 44.751 45.100 -0.077 0.000 0.811 312 G HN 0.283 nan 8.290 nan 0.000 0.535 313 R N 0.329 120.779 120.500 -0.083 0.000 2.115 313 R HA 0.038 4.417 4.340 0.064 0.000 0.230 313 R C -0.178 176.101 176.300 -0.036 0.000 1.111 313 R CA 0.788 56.852 56.100 -0.060 0.000 0.976 313 R CB -0.246 30.009 30.300 -0.075 0.000 0.870 313 R HN 0.347 nan 8.270 nan 0.000 0.445 314 D N -0.633 119.742 120.400 -0.041 0.000 2.337 314 D HA 0.141 4.819 4.640 0.064 0.000 0.238 314 D C -2.164 174.144 176.300 0.013 0.000 1.331 314 D CA -1.734 52.275 54.000 0.015 0.000 0.967 314 D CB 1.470 42.328 40.800 0.096 0.000 1.382 314 D HN -0.140 nan 8.370 nan 0.000 0.549 315 P HA 0.032 nan 4.420 nan 0.000 0.234 315 P C 0.012 177.324 177.300 0.020 0.000 1.167 315 P CA 0.522 63.616 63.100 -0.009 0.000 0.763 315 P CB 0.527 32.218 31.700 -0.015 0.000 0.835 316 D N -1.275 119.148 120.400 0.038 0.000 2.427 316 D HA 0.068 4.747 4.640 0.064 0.000 0.224 316 D C 1.185 177.524 176.300 0.066 0.000 1.157 316 D CA -0.413 53.614 54.000 0.044 0.000 0.828 316 D CB -0.514 40.288 40.800 0.004 0.000 0.974 316 D HN 0.123 nan 8.370 nan 0.000 0.498 317 F N 1.159 121.059 119.950 -0.083 0.000 2.126 317 F HA -0.214 4.351 4.527 0.064 0.000 0.299 317 F C 2.028 177.815 175.800 -0.022 0.000 1.096 317 F CA 1.833 59.780 58.000 -0.088 0.000 1.255 317 F CB 0.093 38.986 39.000 -0.178 0.000 0.997 317 F HN 0.100 nan 8.300 nan 0.000 0.479 318 H N -1.245 117.738 119.070 -0.145 0.000 2.372 318 H HA -0.042 4.552 4.556 0.064 0.000 0.301 318 H C 2.373 177.619 175.328 -0.136 0.000 1.065 318 H CA 0.774 56.612 56.048 -0.350 0.000 1.364 318 H CB -0.095 29.312 29.762 -0.591 0.000 1.406 318 H HN 0.147 nan 8.280 nan 0.000 0.521 319 R N 1.329 121.939 120.500 0.184 0.000 2.083 319 R HA -0.165 4.214 4.340 0.064 0.000 0.237 319 R C 2.443 178.850 176.300 0.179 0.000 1.137 319 R CA 1.580 57.832 56.100 0.254 0.000 0.951 319 R CB -0.055 30.375 30.300 0.218 0.000 0.851 319 R HN 0.202 nan 8.270 nan 0.000 0.434 320 R N 0.327 120.851 120.500 0.041 0.000 2.070 320 R HA -0.150 4.229 4.340 0.064 0.000 0.233 320 R C 2.219 178.516 176.300 -0.005 0.000 1.137 320 R CA 1.772 57.875 56.100 0.006 0.000 0.945 320 R CB -0.320 29.942 30.300 -0.062 0.000 0.845 320 R HN 0.271 nan 8.270 nan 0.000 0.430 321 E N 0.646 120.723 120.200 -0.206 0.000 2.118 321 E HA -0.213 4.176 4.350 0.064 0.000 0.195 321 E C 1.999 178.567 176.600 -0.054 0.000 0.992 321 E CA 1.212 57.471 56.400 -0.237 0.000 0.804 321 E CB -0.056 29.330 29.700 -0.523 0.000 0.741 321 E HN 0.289 nan 8.360 nan 0.000 0.458 322 L N 0.567 121.807 121.223 0.028 0.000 2.027 322 L HA -0.118 4.260 4.340 0.064 0.000 0.206 322 L C 2.216 179.181 176.870 0.159 0.000 1.074 322 L CA 1.689 56.587 54.840 0.096 0.000 0.745 322 L CB -0.815 41.361 42.059 0.194 0.000 0.898 322 L HN 0.285 nan 8.230 nan 0.000 0.433 323 W N 0.960 122.291 121.300 0.052 0.000 2.355 323 W HA -0.197 4.501 4.660 0.063 0.000 0.309 323 W C 2.147 178.695 176.519 0.047 0.000 1.206 323 W CA 2.115 59.505 57.345 0.074 0.000 1.284 323 W CB -0.102 29.405 29.460 0.077 0.000 1.145 323 W HN 0.337 nan 8.180 nan 0.000 0.502 324 E N 0.007 120.380 120.200 0.289 0.000 2.152 324 E HA -0.123 4.266 4.350 0.064 0.000 0.192 324 E C 2.349 178.976 176.600 0.045 0.000 0.983 324 E CA 1.029 57.518 56.400 0.148 0.000 0.818 324 E CB -0.319 29.422 29.700 0.069 0.000 0.758 324 E HN 0.184 nan 8.360 nan 0.000 0.467 325 A N 1.178 124.023 122.820 0.040 0.000 1.902 325 A HA -0.163 4.196 4.320 0.064 0.000 0.217 325 A C 2.137 179.742 177.584 0.034 0.000 1.181 325 A CA 1.012 53.065 52.037 0.026 0.000 0.623 325 A CB -0.460 18.556 19.000 0.026 0.000 0.818 325 A HN 0.136 nan 8.150 nan 0.000 0.443 326 I N -0.499 120.108 120.570 0.062 0.000 2.286 326 I HA -0.205 4.003 4.170 0.064 0.000 0.245 326 I C 2.381 178.565 176.117 0.113 0.000 1.104 326 I CA 1.206 62.595 61.300 0.149 0.000 1.397 326 I CB -0.407 37.612 38.000 0.032 0.000 1.072 326 I HN 0.417 nan 8.210 nan 0.000 0.417 327 E N 0.975 121.190 120.200 0.024 0.000 2.160 327 E HA -0.208 4.181 4.350 0.064 0.000 0.195 327 E C 2.142 178.754 176.600 0.021 0.000 0.991 327 E CA 1.294 57.721 56.400 0.047 0.000 0.810 327 E CB -0.109 29.649 29.700 0.097 0.000 0.742 327 E HN 0.506 nan 8.360 nan 0.000 0.466 328 A N 0.121 122.926 122.820 -0.024 0.000 2.169 328 A HA 0.203 4.562 4.320 0.064 0.000 0.212 328 A C 1.842 179.354 177.584 -0.120 0.000 1.153 328 A CA 0.971 52.971 52.037 -0.060 0.000 0.756 328 A CB -0.137 18.812 19.000 -0.084 0.000 0.813 328 A HN 0.341 nan 8.150 nan 0.000 0.471 329 G N -0.431 108.209 108.800 -0.266 0.000 2.176 329 G HA2 -0.208 3.790 3.960 0.064 0.000 0.253 329 G HA3 -0.208 3.790 3.960 0.064 0.000 0.253 329 G C -0.213 174.189 174.900 -0.830 0.000 0.979 329 G CA 0.266 44.894 45.100 -0.787 0.000 0.641 329 G HN 0.461 nan 8.290 nan 0.000 0.530 330 D N 0.978 121.159 120.400 -0.364 0.000 2.845 330 D HA 0.291 4.970 4.640 0.064 0.000 0.235 330 D C 0.747 176.981 176.300 -0.111 0.000 1.158 330 D CA -0.140 53.743 54.000 -0.195 0.000 0.990 330 D CB -0.676 40.111 40.800 -0.020 0.000 1.094 330 D HN 0.422 nan 8.370 nan 0.000 0.486 331 F N 1.374 121.325 119.950 0.001 0.000 2.578 331 F HA 0.093 4.659 4.527 0.065 0.000 0.376 331 F C -1.359 174.408 175.800 -0.054 0.000 1.085 331 F CA -1.907 56.084 58.000 -0.015 0.000 1.260 331 F CB 0.077 39.078 39.000 0.002 0.000 1.095 331 F HN -0.089 nan 8.300 nan 0.000 0.573 332 P HA 0.027 nan 4.420 nan 0.000 0.263 332 P C -1.088 176.146 177.300 -0.110 0.000 1.195 332 P CA 0.376 63.455 63.100 -0.035 0.000 0.762 332 P CB 0.446 32.205 31.700 0.099 0.000 0.799 333 E N 2.457 122.447 120.200 -0.352 0.000 2.222 333 E HA 0.460 4.849 4.350 0.064 0.000 0.267 333 E C -1.039 175.237 176.600 -0.541 0.000 0.884 333 E CA -0.563 55.691 56.400 -0.242 0.000 0.764 333 E CB 1.427 31.085 29.700 -0.069 0.000 1.169 333 E HN 0.382 nan 8.360 nan 0.000 0.413 334 Y N 0.323 120.695 120.300 0.120 0.000 2.492 334 Y HA 0.242 4.831 4.550 0.066 0.000 0.346 334 Y C -0.248 175.889 175.900 0.394 0.000 0.997 334 Y CA -1.001 57.245 58.100 0.242 0.000 1.025 334 Y CB 1.979 40.540 38.460 0.169 0.000 1.263 334 Y HN 0.465 nan 8.280 nan 0.000 0.454 335 E N 2.771 123.313 120.200 0.570 0.000 2.174 335 E HA 0.411 4.799 4.350 0.064 0.000 0.282 335 E C -1.516 175.385 176.600 0.503 0.000 0.992 335 E CA -0.926 55.760 56.400 0.476 0.000 0.803 335 E CB 1.042 30.956 29.700 0.357 0.000 1.090 335 E HN 0.590 nan 8.360 nan 0.000 0.396 336 L N 4.270 125.702 121.223 0.349 0.000 2.380 336 L HA 0.564 4.943 4.340 0.064 0.000 0.273 336 L C -0.106 176.695 176.870 -0.115 0.000 1.138 336 L CA 0.530 55.272 54.840 -0.162 0.000 0.832 336 L CB 1.142 43.049 42.059 -0.254 0.000 1.124 336 L HN 0.594 nan 8.230 nan 0.000 0.454 337 G N 4.227 112.965 108.800 -0.103 0.000 2.659 337 G HA2 0.552 4.550 3.960 0.064 0.000 0.296 337 G HA3 0.552 4.550 3.960 0.064 0.000 0.296 337 G C -1.675 173.336 174.900 0.185 0.000 1.369 337 G CA -0.517 44.555 45.100 -0.047 0.000 0.937 337 G HN 0.460 nan 8.290 nan 0.000 0.485 338 F N 0.205 120.163 119.950 0.014 0.000 2.520 338 F HA 0.396 4.962 4.527 0.065 0.000 0.322 338 F C 0.424 176.207 175.800 -0.027 0.000 1.103 338 F CA -0.983 57.025 58.000 0.014 0.000 0.926 338 F CB 2.580 41.574 39.000 -0.010 0.000 1.154 338 F HN 0.140 nan 8.300 nan 0.000 0.453 339 Q N 4.072 123.980 119.800 0.179 0.000 2.274 339 Q HA 0.472 4.851 4.340 0.064 0.000 0.256 339 Q C -1.068 174.971 176.000 0.065 0.000 0.927 339 Q CA -0.385 55.472 55.803 0.090 0.000 0.939 339 Q CB 1.915 30.712 28.738 0.098 0.000 1.201 339 Q HN 0.524 nan 8.270 nan 0.000 0.426 340 L N 4.654 125.923 121.223 0.078 0.000 2.325 340 L HA 0.568 4.947 4.340 0.064 0.000 0.281 340 L C -0.651 176.272 176.870 0.089 0.000 1.004 340 L CA -0.519 54.357 54.840 0.061 0.000 0.823 340 L CB 1.275 43.379 42.059 0.075 0.000 1.236 340 L HN 0.512 nan 8.230 nan 0.000 0.415 341 I N 4.678 125.317 120.570 0.115 0.000 2.418 341 I HA 0.375 4.584 4.170 0.064 0.000 0.287 341 I C -2.246 173.979 176.117 0.181 0.000 1.008 341 I CA -2.083 59.329 61.300 0.187 0.000 1.104 341 I CB 2.241 40.385 38.000 0.241 0.000 1.264 341 I HN 0.283 nan 8.210 nan 0.000 0.438 342 P HA 0.029 nan 4.420 nan 0.000 0.270 342 P C 0.605 177.962 177.300 0.096 0.000 1.223 342 P CA -0.112 63.017 63.100 0.049 0.000 0.785 342 P CB 0.844 32.570 31.700 0.044 0.000 0.923 343 E N 1.843 122.015 120.200 -0.047 0.000 2.118 343 E HA -0.248 4.140 4.350 0.064 0.000 0.195 343 E C 1.409 178.109 176.600 0.166 0.000 0.992 343 E CA 1.099 57.477 56.400 -0.037 0.000 0.804 343 E CB -0.046 29.559 29.700 -0.158 0.000 0.741 343 E HN 0.474 nan 8.360 nan 0.000 0.458 344 E N 0.250 120.515 120.200 0.109 0.000 2.472 344 E HA -0.181 4.207 4.350 0.064 0.000 0.200 344 E C 0.342 177.020 176.600 0.131 0.000 1.046 344 E CA 0.878 57.352 56.400 0.123 0.000 0.871 344 E CB 0.031 29.777 29.700 0.076 0.000 0.806 344 E HN 0.256 nan 8.360 nan 0.000 0.533 345 D N 1.034 121.517 120.400 0.138 0.000 2.395 345 D HA 0.009 4.687 4.640 0.064 0.000 0.213 345 D C 1.319 177.676 176.300 0.096 0.000 1.110 345 D CA -0.019 54.037 54.000 0.093 0.000 0.835 345 D CB 0.182 41.040 40.800 0.096 0.000 0.965 345 D HN 0.375 nan 8.370 nan 0.000 0.505 346 E N -0.157 120.087 120.200 0.073 0.000 2.136 346 E HA -0.224 4.164 4.350 0.064 0.000 0.202 346 E C 0.452 176.782 176.600 -0.450 0.000 1.019 346 E CA 1.251 57.482 56.400 -0.280 0.000 0.819 346 E CB 0.005 29.445 29.700 -0.434 0.000 0.739 346 E HN 0.275 nan 8.360 nan 0.000 0.458 347 F N -0.607 119.349 119.950 0.010 0.000 2.639 347 F HA 0.271 4.837 4.527 0.064 0.000 0.302 347 F C 1.393 177.129 175.800 -0.107 0.000 1.097 347 F CA -0.264 57.717 58.000 -0.032 0.000 1.294 347 F CB 0.590 39.579 39.000 -0.018 0.000 1.027 347 F HN -0.180 nan 8.300 nan 0.000 0.550 348 K N 0.059 120.399 120.400 -0.100 0.000 2.487 348 K HA 0.096 4.454 4.320 0.064 0.000 0.192 348 K C -0.204 175.982 176.600 -0.691 0.000 1.027 348 K CA 0.428 56.487 56.287 -0.381 0.000 1.054 348 K CB 0.125 32.354 32.500 -0.451 0.000 0.824 348 K HN 0.135 nan 8.250 nan 0.000 0.510 349 F N 0.736 120.522 119.950 -0.274 0.000 2.457 349 F HA 0.082 4.647 4.527 0.065 0.000 0.330 349 F C 1.246 176.826 175.800 -0.367 0.000 1.069 349 F CA -1.309 56.419 58.000 -0.452 0.000 1.009 349 F CB 0.586 38.942 39.000 -1.074 0.000 1.276 349 F HN -0.037 nan 8.300 nan 0.000 0.492 350 D N -0.487 119.884 120.400 -0.048 0.000 2.328 350 D HA 0.041 4.719 4.640 0.064 0.000 0.226 350 D C -0.358 176.025 176.300 0.138 0.000 1.066 350 D CA 0.149 54.185 54.000 0.060 0.000 0.861 350 D CB -0.874 39.996 40.800 0.117 0.000 0.912 350 D HN 0.246 nan 8.370 nan 0.000 0.521 351 F N -1.562 118.474 119.950 0.143 0.000 2.618 351 F HA 0.551 5.116 4.527 0.064 0.000 0.332 351 F C -0.181 175.612 175.800 -0.011 0.000 1.061 351 F CA -1.757 56.251 58.000 0.013 0.000 0.974 351 F CB 0.762 39.724 39.000 -0.063 0.000 1.310 351 F HN -0.335 nan 8.300 nan 0.000 0.491 352 D N 1.463 121.896 120.400 0.054 0.000 2.249 352 D HA 0.206 4.885 4.640 0.064 0.000 0.246 352 D C 1.005 177.257 176.300 -0.080 0.000 1.114 352 D CA -0.097 53.875 54.000 -0.048 0.000 0.854 352 D CB 1.510 42.307 40.800 -0.005 0.000 1.132 352 D HN 0.730 nan 8.370 nan 0.000 0.461 353 L N 3.411 124.526 121.223 -0.181 0.000 2.261 353 L HA -0.144 4.235 4.340 0.064 0.000 0.216 353 L C 1.826 178.568 176.870 -0.214 0.000 1.114 353 L CA 0.793 55.503 54.840 -0.217 0.000 0.777 353 L CB -0.030 41.758 42.059 -0.452 0.000 0.910 353 L HN 0.475 nan 8.230 nan 0.000 0.440 354 L N -1.128 119.990 121.223 -0.174 0.000 2.628 354 L HA 0.104 4.482 4.340 0.064 0.000 0.229 354 L C 0.333 177.142 176.870 -0.102 0.000 1.137 354 L CA -0.217 54.586 54.840 -0.061 0.000 0.909 354 L CB -0.148 41.978 42.059 0.112 0.000 1.137 354 L HN 0.060 nan 8.230 nan 0.000 0.470 355 D N 2.121 122.213 120.400 -0.513 0.000 2.347 355 D HA 0.121 4.799 4.640 0.064 0.000 0.235 355 D C -1.600 174.466 176.300 -0.390 0.000 1.149 355 D CA -2.199 51.228 54.000 -0.954 0.000 0.850 355 D CB 1.610 41.568 40.800 -1.403 0.000 1.061 355 D HN -0.055 nan 8.370 nan 0.000 0.487 356 P HA -0.016 nan 4.420 nan 0.000 0.249 356 P C 0.808 178.019 177.300 -0.148 0.000 1.229 356 P CA 0.415 63.452 63.100 -0.105 0.000 0.788 356 P CB -0.035 31.701 31.700 0.059 0.000 1.072 357 T N -4.060 110.392 114.554 -0.170 0.000 3.129 357 T HA 0.138 4.527 4.350 0.064 0.000 0.251 357 T C 0.734 175.338 174.700 -0.160 0.000 1.117 357 T CA 0.040 62.048 62.100 -0.154 0.000 1.034 357 T CB -0.262 68.560 68.868 -0.078 0.000 0.968 357 T HN -0.164 nan 8.240 nan 0.000 0.526 358 K N 1.929 122.144 120.400 -0.308 0.000 2.270 358 K HA 0.591 4.950 4.320 0.064 0.000 0.255 358 K C -0.346 176.066 176.600 -0.313 0.000 0.936 358 K CA -0.994 54.983 56.287 -0.517 0.000 0.809 358 K CB 2.067 34.130 32.500 -0.728 0.000 1.131 358 K HN 0.312 nan 8.250 nan 0.000 0.427 359 L N -0.351 120.819 121.223 -0.088 0.000 2.358 359 L HA 0.674 5.053 4.340 0.064 0.000 0.268 359 L C -0.043 176.647 176.870 -0.300 0.000 1.032 359 L CA -0.519 54.230 54.840 -0.152 0.000 0.805 359 L CB 0.381 42.432 42.059 -0.014 0.000 1.253 359 L HN 0.439 nan 8.230 nan 0.000 0.452 360 I N 1.371 121.858 120.570 -0.138 0.000 2.307 360 I HA 0.381 4.590 4.170 0.064 0.000 0.289 360 I C -2.137 173.998 176.117 0.030 0.000 1.021 360 I CA -1.671 59.596 61.300 -0.055 0.000 1.224 360 I CB 1.182 39.167 38.000 -0.025 0.000 1.376 360 I HN 0.439 nan 8.210 nan 0.000 0.470 361 P HA 0.062 nan 4.420 nan 0.000 0.268 361 P C 0.295 177.662 177.300 0.111 0.000 1.204 361 P CA -0.008 63.140 63.100 0.080 0.000 0.768 361 P CB 0.643 32.385 31.700 0.070 0.000 0.842 362 E N 1.727 122.001 120.200 0.124 0.000 2.204 362 E HA -0.200 4.188 4.350 0.064 0.000 0.195 362 E C 1.404 178.058 176.600 0.090 0.000 0.990 362 E CA 0.799 57.260 56.400 0.101 0.000 0.821 362 E CB -0.034 29.727 29.700 0.102 0.000 0.750 362 E HN 0.508 nan 8.360 nan 0.000 0.477 363 E N 0.460 120.714 120.200 0.090 0.000 2.160 363 E HA -0.167 4.222 4.350 0.064 0.000 0.195 363 E C 2.064 178.728 176.600 0.106 0.000 0.991 363 E CA 0.833 57.283 56.400 0.083 0.000 0.810 363 E CB 0.017 29.759 29.700 0.070 0.000 0.742 363 E HN 0.381 nan 8.360 nan 0.000 0.466 364 L N -0.406 120.902 121.223 0.143 0.000 2.202 364 L HA 0.036 4.415 4.340 0.064 0.000 0.205 364 L C 0.660 177.652 176.870 0.204 0.000 1.083 364 L CA 0.425 55.389 54.840 0.206 0.000 0.790 364 L CB 0.433 42.689 42.059 0.328 0.000 0.942 364 L HN -0.199 nan 8.230 nan 0.000 0.452 365 V N 1.546 121.554 119.914 0.156 0.000 2.439 365 V HA 0.288 4.447 4.120 0.064 0.000 0.277 365 V C -2.346 173.795 176.094 0.078 0.000 1.008 365 V CA -1.361 61.016 62.300 0.129 0.000 0.846 365 V CB 1.539 33.432 31.823 0.117 0.000 1.031 365 V HN -0.029 nan 8.190 nan 0.000 0.441 366 P HA 0.157 nan 4.420 nan 0.000 0.272 366 P C -0.252 177.047 177.300 -0.002 0.000 1.223 366 P CA 0.053 63.173 63.100 0.033 0.000 0.784 366 P CB 1.386 33.109 31.700 0.039 0.000 0.923 367 V N 3.394 123.273 119.914 -0.058 0.000 2.455 367 V HA 0.074 4.233 4.120 0.064 0.000 0.273 367 V C 0.918 176.997 176.094 -0.026 0.000 1.045 367 V CA 0.115 62.344 62.300 -0.119 0.000 0.976 367 V CB 0.151 31.819 31.823 -0.260 0.000 0.993 367 V HN 0.567 nan 8.190 nan 0.000 0.475 368 Q N 6.138 125.943 119.800 0.009 0.000 2.274 368 Q HA 0.353 4.732 4.340 0.064 0.000 0.256 368 Q C 0.319 176.311 176.000 -0.014 0.000 0.927 368 Q CA -0.847 54.965 55.803 0.015 0.000 0.939 368 Q CB 0.858 29.617 28.738 0.035 0.000 1.201 368 Q HN 0.835 nan 8.270 nan 0.000 0.426 369 R N 1.983 122.504 120.500 0.035 0.000 2.537 369 R HA 0.102 4.481 4.340 0.064 0.000 0.280 369 R C -0.446 175.889 176.300 0.058 0.000 1.058 369 R CA -0.325 55.840 56.100 0.108 0.000 1.057 369 R CB 0.617 31.050 30.300 0.222 0.000 0.973 369 R HN 0.472 nan 8.270 nan 0.000 0.438 370 V N 1.702 121.559 119.914 -0.095 0.000 3.137 370 V HA 0.358 4.516 4.120 0.064 0.000 0.236 370 V C 0.837 176.671 176.094 -0.433 0.000 1.260 370 V CA 1.024 63.138 62.300 -0.310 0.000 1.244 370 V CB 0.779 32.153 31.823 -0.748 0.000 1.016 370 V HN 1.082 nan 8.190 nan 0.000 0.477 371 G N -0.184 108.228 108.800 -0.648 0.000 2.342 371 G HA2 0.455 4.453 3.960 0.064 0.000 0.297 371 G HA3 0.455 4.453 3.960 0.064 0.000 0.297 371 G C -1.857 172.676 174.900 -0.611 0.000 1.313 371 G CA -0.531 43.825 45.100 -1.240 0.000 0.830 371 G HN 0.095 nan 8.290 nan 0.000 0.506 372 K N -0.477 119.626 120.400 -0.494 0.000 2.316 372 K HA 0.757 5.116 4.320 0.064 0.000 0.251 372 K C -0.771 175.907 176.600 0.130 0.000 0.934 372 K CA -0.801 55.495 56.287 0.016 0.000 0.802 372 K CB 1.963 34.518 32.500 0.091 0.000 1.171 372 K HN 0.613 nan 8.250 nan 0.000 0.426 373 M N 4.688 124.474 119.600 0.311 0.000 2.321 373 M HA 0.405 4.924 4.480 0.064 0.000 0.315 373 M C -1.793 174.505 176.300 -0.003 0.000 1.052 373 M CA -0.789 54.627 55.300 0.194 0.000 0.936 373 M CB 1.764 34.507 32.600 0.239 0.000 1.639 373 M HN 0.368 nan 8.290 nan 0.000 0.433 374 V N 6.335 126.072 119.914 -0.295 0.000 2.487 374 V HA 0.438 4.596 4.120 0.064 0.000 0.298 374 V C -0.564 175.381 176.094 -0.247 0.000 1.028 374 V CA -0.686 61.440 62.300 -0.290 0.000 0.860 374 V CB 1.755 33.285 31.823 -0.488 0.000 0.991 374 V HN 0.810 nan 8.190 nan 0.000 0.427 375 L N 5.695 126.870 121.223 -0.080 0.000 2.255 375 L HA 0.497 4.875 4.340 0.064 0.000 0.289 375 L C 0.505 177.276 176.870 -0.166 0.000 1.046 375 L CA -0.285 54.506 54.840 -0.081 0.000 0.816 375 L CB 0.919 42.981 42.059 0.005 0.000 1.197 375 L HN 0.859 nan 8.230 nan 0.000 0.427 376 N N 2.518 121.024 118.700 -0.324 0.000 2.194 376 N HA 0.138 4.917 4.740 0.064 0.000 0.231 376 N C -0.037 175.274 175.510 -0.331 0.000 1.247 376 N CA -0.389 52.200 53.050 -0.769 0.000 0.884 376 N CB 0.782 38.489 38.487 -1.299 0.000 1.146 376 N HN 0.466 nan 8.380 nan 0.000 0.516 377 R N 0.197 120.620 120.500 -0.129 0.000 2.566 377 R HA 0.322 4.701 4.340 0.064 0.000 0.271 377 R C -1.242 175.008 176.300 -0.083 0.000 1.071 377 R CA -0.584 55.465 56.100 -0.086 0.000 0.915 377 R CB 1.341 31.600 30.300 -0.069 0.000 1.228 377 R HN 0.048 nan 8.270 nan 0.000 0.449 378 N N 3.285 121.817 118.700 -0.281 0.000 2.467 378 N HA 0.258 5.037 4.740 0.064 0.000 0.262 378 N C -2.240 173.200 175.510 -0.116 0.000 1.234 378 N CA -1.149 51.583 53.050 -0.530 0.000 0.952 378 N CB 0.575 38.064 38.487 -1.663 0.000 1.158 378 N HN 0.335 nan 8.380 nan 0.000 0.463 379 P HA 0.111 nan 4.420 nan 0.000 0.274 379 P C 0.053 177.538 177.300 0.308 0.000 1.260 379 P CA -0.086 63.205 63.100 0.318 0.000 0.793 379 P CB 1.098 33.034 31.700 0.393 0.000 1.048 380 D N -1.264 119.293 120.400 0.262 0.000 2.269 380 D HA -0.012 4.667 4.640 0.064 0.000 0.220 380 D C 0.476 176.955 176.300 0.300 0.000 0.962 380 D CA 1.279 55.431 54.000 0.253 0.000 0.884 380 D CB 0.166 41.053 40.800 0.145 0.000 1.023 380 D HN 0.393 nan 8.370 nan 0.000 0.484 381 N N -0.167 118.698 118.700 0.276 0.000 2.448 381 N HA 0.015 4.793 4.740 0.064 0.000 0.279 381 N C -0.005 175.717 175.510 0.354 0.000 1.025 381 N CA -0.329 52.898 53.050 0.295 0.000 0.898 381 N CB 1.589 40.215 38.487 0.231 0.000 1.303 381 N HN -0.162 nan 8.380 nan 0.000 0.495 382 F N 4.317 124.420 119.950 0.256 0.000 2.102 382 F HA -0.141 4.425 4.527 0.065 0.000 0.298 382 F C 1.681 177.617 175.800 0.227 0.000 1.105 382 F CA 1.399 59.553 58.000 0.257 0.000 1.239 382 F CB -0.107 39.019 39.000 0.210 0.000 0.991 382 F HN 0.612 nan 8.300 nan 0.000 0.474 383 F N 0.807 121.007 119.950 0.417 0.000 2.069 383 F HA -0.183 4.382 4.527 0.064 0.000 0.298 383 F C 2.333 178.191 175.800 0.097 0.000 1.113 383 F CA 1.918 60.071 58.000 0.254 0.000 1.214 383 F CB -0.931 38.193 39.000 0.207 0.000 0.978 383 F HN -0.010 nan 8.300 nan 0.000 0.474 384 A N -0.355 122.597 122.820 0.221 0.000 1.902 384 A HA -0.165 4.194 4.320 0.064 0.000 0.217 384 A C 2.083 179.593 177.584 -0.123 0.000 1.181 384 A CA 2.007 54.079 52.037 0.059 0.000 0.623 384 A CB -0.687 18.398 19.000 0.142 0.000 0.818 384 A HN 0.597 nan 8.150 nan 0.000 0.443 385 E N -1.360 118.784 120.200 -0.094 0.000 2.162 385 E HA -0.059 4.329 4.350 0.064 0.000 0.193 385 E C 1.936 178.432 176.600 -0.173 0.000 0.953 385 E CA 0.439 56.717 56.400 -0.204 0.000 0.849 385 E CB -0.105 29.530 29.700 -0.109 0.000 0.810 385 E HN 0.564 nan 8.360 nan 0.000 0.470 386 N N 1.434 120.034 118.700 -0.166 0.000 2.176 386 N HA -0.161 4.618 4.740 0.064 0.000 0.187 386 N C 1.834 177.167 175.510 -0.295 0.000 1.043 386 N CA 1.379 54.270 53.050 -0.265 0.000 0.851 386 N CB 0.013 37.942 38.487 -0.930 0.000 1.018 386 N HN -0.070 nan 8.380 nan 0.000 0.436 387 E N 0.756 120.710 120.200 -0.411 0.000 2.118 387 E HA -0.114 4.274 4.350 0.064 0.000 0.195 387 E C 1.583 177.987 176.600 -0.328 0.000 0.992 387 E CA 1.493 57.729 56.400 -0.275 0.000 0.804 387 E CB -0.146 29.422 29.700 -0.221 0.000 0.741 387 E HN 0.513 nan 8.360 nan 0.000 0.458 388 Q N -0.311 119.225 119.800 -0.441 0.000 2.403 388 Q HA 0.266 4.645 4.340 0.064 0.000 0.203 388 Q C -0.020 175.857 176.000 -0.205 0.000 0.932 388 Q CA 0.191 55.788 55.803 -0.343 0.000 0.945 388 Q CB 0.543 29.054 28.738 -0.378 0.000 1.045 388 Q HN 0.218 nan 8.270 nan 0.000 0.511 389 A N 1.253 123.976 122.820 -0.161 0.000 2.511 389 A HA 0.451 4.809 4.320 0.064 0.000 0.242 389 A C -0.114 177.371 177.584 -0.165 0.000 1.069 389 A CA 0.142 52.070 52.037 -0.182 0.000 0.763 389 A CB 0.227 19.189 19.000 -0.063 0.000 1.001 389 A HN 0.282 nan 8.150 nan 0.000 0.498 390 A N 2.495 125.168 122.820 -0.246 0.000 2.304 390 A HA 0.734 5.092 4.320 0.064 0.000 0.314 390 A C -0.736 176.741 177.584 -0.179 0.000 1.187 390 A CA -0.406 51.551 52.037 -0.133 0.000 0.810 390 A CB 0.316 19.229 19.000 -0.146 0.000 1.183 390 A HN 0.661 nan 8.150 nan 0.000 0.487 391 F N 0.665 120.627 119.950 0.020 0.000 2.538 391 F HA 0.697 5.262 4.527 0.064 0.000 0.325 391 F C 0.230 176.012 175.800 -0.030 0.000 1.066 391 F CA -0.212 57.776 58.000 -0.019 0.000 0.946 391 F CB 2.226 41.153 39.000 -0.123 0.000 1.199 391 F HN 0.766 nan 8.300 nan 0.000 0.473 392 H N 2.407 121.356 119.070 -0.202 0.000 3.137 392 H HA 0.244 4.843 4.556 0.073 0.000 0.336 392 H C -2.551 172.403 175.328 -0.623 0.000 1.055 392 H CA -1.487 54.200 56.048 -0.602 0.000 1.349 392 H CB 2.612 31.981 29.762 -0.655 0.000 1.939 392 H HN 0.187 nan 8.280 nan 0.000 0.487 393 P HA 0.027 nan 4.420 nan 0.000 0.233 393 P C 1.101 178.285 177.300 -0.193 0.000 1.167 393 P CA 1.208 63.993 63.100 -0.525 0.000 0.770 393 P CB 0.160 31.612 31.700 -0.412 0.000 0.837 394 G N -1.045 107.454 108.800 -0.502 0.000 2.744 394 G HA2 -0.134 3.865 3.960 0.064 0.000 0.211 394 G HA3 -0.134 3.865 3.960 0.064 0.000 0.211 394 G C 0.408 175.543 174.900 0.392 0.000 1.143 394 G CA -0.046 45.146 45.100 0.153 0.000 0.788 394 G HN 0.432 nan 8.290 nan 0.000 0.534 395 H N 0.751 119.955 119.070 0.224 0.000 3.092 395 H HA 0.334 4.926 4.556 0.059 0.000 0.263 395 H C 0.604 176.039 175.328 0.179 0.000 1.611 395 H CA -0.765 55.376 56.048 0.154 0.000 1.457 395 H CB -0.039 29.776 29.762 0.088 0.000 1.731 395 H HN 0.384 nan 8.280 nan 0.000 0.532 396 I N -0.286 120.417 120.570 0.221 0.000 3.449 396 I HA 0.701 4.910 4.170 0.064 0.000 0.294 396 I C -0.144 175.961 176.117 -0.019 0.000 1.163 396 I CA -1.364 59.988 61.300 0.088 0.000 1.010 396 I CB 1.786 39.735 38.000 -0.086 0.000 1.307 396 I HN 0.131 nan 8.210 nan 0.000 0.518 397 V N -2.930 116.958 119.914 -0.044 0.000 3.160 397 V HA 0.679 4.838 4.120 0.064 0.000 0.310 397 V C -2.899 173.304 176.094 0.181 0.000 1.181 397 V CA -2.447 59.889 62.300 0.059 0.000 1.047 397 V CB 1.030 32.868 31.823 0.026 0.000 1.068 397 V HN 0.610 nan 8.190 nan 0.000 0.441 398 P HA 0.440 nan 4.420 nan 0.000 0.268 398 P C 0.839 178.143 177.300 0.008 0.000 1.204 398 P CA 1.962 65.141 63.100 0.131 0.000 0.768 398 P CB 0.900 32.652 31.700 0.087 0.000 0.842 399 G N 1.703 110.461 108.800 -0.070 0.000 2.218 399 G HA2 -0.161 3.838 3.960 0.064 0.000 0.216 399 G HA3 -0.161 3.838 3.960 0.064 0.000 0.216 399 G C -0.242 174.577 174.900 -0.135 0.000 0.994 399 G CA -0.446 44.592 45.100 -0.103 0.000 0.637 399 G HN 0.433 nan 8.290 nan 0.000 0.505 400 L N 0.111 121.267 121.223 -0.111 0.000 2.323 400 L HA 0.904 5.283 4.340 0.064 0.000 0.265 400 L C -0.464 176.352 176.870 -0.090 0.000 1.012 400 L CA -1.026 53.727 54.840 -0.145 0.000 0.820 400 L CB 2.096 43.998 42.059 -0.263 0.000 1.334 400 L HN 0.120 nan 8.230 nan 0.000 0.427 401 D N -0.560 119.772 120.400 -0.113 0.000 2.692 401 D HA 0.448 5.126 4.640 0.064 0.000 0.303 401 D C -1.189 175.029 176.300 -0.137 0.000 1.278 401 D CA -0.369 53.512 54.000 -0.198 0.000 0.852 401 D CB 1.749 42.513 40.800 -0.059 0.000 1.375 401 D HN 0.106 nan 8.370 nan 0.000 0.453 402 F N -0.169 119.908 119.950 0.212 0.000 2.348 402 F HA 0.501 5.067 4.527 0.065 0.000 0.308 402 F C 1.492 177.307 175.800 0.025 0.000 1.175 402 F CA -0.192 57.853 58.000 0.075 0.000 1.080 402 F CB 1.101 40.118 39.000 0.029 0.000 1.341 402 F HN 0.206 nan 8.300 nan 0.000 0.518 403 T N -3.216 111.425 114.554 0.145 0.000 2.742 403 T HA 0.302 4.691 4.350 0.064 0.000 0.282 403 T C -0.037 174.695 174.700 0.053 0.000 1.025 403 T CA -1.001 61.172 62.100 0.121 0.000 1.020 403 T CB 1.123 70.036 68.868 0.075 0.000 1.317 403 T HN 0.344 nan 8.240 nan 0.000 0.538 404 N N 1.252 119.988 118.700 0.060 0.000 2.434 404 N HA 0.057 4.835 4.740 0.064 0.000 0.196 404 N C 0.027 175.539 175.510 0.004 0.000 1.183 404 N CA 0.078 53.144 53.050 0.028 0.000 0.849 404 N CB -0.443 38.077 38.487 0.054 0.000 0.992 404 N HN 0.687 nan 8.380 nan 0.000 0.460 405 D N 2.223 122.608 120.400 -0.025 0.000 2.581 405 D HA -0.076 4.602 4.640 0.064 0.000 0.238 405 D C -1.407 174.876 176.300 -0.028 0.000 1.145 405 D CA -0.913 53.091 54.000 0.007 0.000 0.866 405 D CB 1.244 41.995 40.800 -0.083 0.000 1.151 405 D HN 0.157 nan 8.370 nan 0.000 0.500 406 P HA -0.076 nan 4.420 nan 0.000 0.236 406 P C 1.551 178.861 177.300 0.018 0.000 1.177 406 P CA 0.009 63.119 63.100 0.017 0.000 0.773 406 P CB 0.480 32.184 31.700 0.008 0.000 0.878 407 L N -0.010 121.240 121.223 0.045 0.000 2.049 407 L HA -0.032 4.346 4.340 0.064 0.000 0.203 407 L C 2.427 179.197 176.870 -0.166 0.000 1.074 407 L CA 1.322 56.178 54.840 0.027 0.000 0.749 407 L CB -1.576 40.590 42.059 0.179 0.000 0.907 407 L HN -0.159 nan 8.230 nan 0.000 0.439 408 L N -0.588 120.351 121.223 -0.473 0.000 2.012 408 L HA -0.243 4.135 4.340 0.064 0.000 0.210 408 L C 2.465 179.075 176.870 -0.434 0.000 1.073 408 L CA 1.817 56.174 54.840 -0.805 0.000 0.748 408 L CB -0.918 40.439 42.059 -1.169 0.000 0.891 408 L HN 0.382 nan 8.230 nan 0.000 0.431 409 Q N -0.184 119.435 119.800 -0.302 0.000 2.061 409 Q HA -0.165 4.213 4.340 0.064 0.000 0.204 409 Q C 2.112 178.030 176.000 -0.137 0.000 0.984 409 Q CA 1.869 57.541 55.803 -0.219 0.000 0.846 409 Q CB -0.837 27.825 28.738 -0.126 0.000 0.902 409 Q HN 0.708 nan 8.270 nan 0.000 0.421 410 G N 0.447 109.199 108.800 -0.081 0.000 2.421 410 G HA2 -0.207 3.791 3.960 0.064 0.000 0.217 410 G HA3 -0.207 3.791 3.960 0.064 0.000 0.217 410 G C 1.508 176.420 174.900 0.019 0.000 1.143 410 G CA 0.177 45.277 45.100 -0.001 0.000 0.784 410 G HN 0.244 nan 8.290 nan 0.000 0.541 411 R N -0.085 120.374 120.500 -0.068 0.000 2.117 411 R HA -0.027 4.352 4.340 0.064 0.000 0.243 411 R C 2.495 178.877 176.300 0.137 0.000 1.143 411 R CA 1.084 57.204 56.100 0.034 0.000 0.968 411 R CB -0.499 29.777 30.300 -0.040 0.000 0.863 411 R HN 0.354 nan 8.270 nan 0.000 0.444 412 L N -0.453 120.745 121.223 -0.042 0.000 2.127 412 L HA -0.196 4.183 4.340 0.064 0.000 0.211 412 L C 2.283 179.285 176.870 0.219 0.000 1.089 412 L CA 0.986 55.830 54.840 0.007 0.000 0.757 412 L CB -0.494 41.412 42.059 -0.255 0.000 0.899 412 L HN 0.145 nan 8.230 nan 0.000 0.434 413 F N 0.349 120.330 119.950 0.051 0.000 2.113 413 F HA -0.219 4.329 4.527 0.036 0.000 0.297 413 F C 2.801 178.635 175.800 0.057 0.000 1.103 413 F CA 1.708 59.733 58.000 0.041 0.000 1.248 413 F CB -0.328 38.676 39.000 0.007 0.000 0.999 413 F HN -0.036 nan 8.300 nan 0.000 0.475 414 S N -0.855 114.813 115.700 -0.053 0.000 2.355 414 S HA -0.210 4.299 4.470 0.064 0.000 0.222 414 S C 2.073 176.522 174.600 -0.252 0.000 1.031 414 S CA 1.375 59.441 58.200 -0.222 0.000 0.993 414 S CB -0.802 62.297 63.200 -0.169 0.000 0.859 414 S HN 0.520 nan 8.310 nan 0.000 0.453 415 Y N 1.961 122.264 120.300 0.004 0.000 2.421 415 Y HA -0.076 4.510 4.550 0.060 0.000 0.292 415 Y C 2.962 178.556 175.900 -0.510 0.000 1.136 415 Y CA 1.324 59.460 58.100 0.061 0.000 1.255 415 Y CB -0.619 38.799 38.460 1.596 0.000 0.991 415 Y HN 0.498 nan 8.280 nan 0.000 0.552 416 T N -2.941 111.247 114.554 -0.609 0.000 2.894 416 T HA -0.125 4.263 4.350 0.064 0.000 0.258 416 T C 1.504 175.996 174.700 -0.347 0.000 1.043 416 T CA 1.087 62.916 62.100 -0.453 0.000 1.141 416 T CB -0.498 68.171 68.868 -0.332 0.000 0.873 416 T HN 0.246 nan 8.240 nan 0.000 0.449 417 D N 1.502 121.634 120.400 -0.447 0.000 2.092 417 D HA -0.155 4.524 4.640 0.064 0.000 0.193 417 D C 2.301 178.441 176.300 -0.267 0.000 0.994 417 D CA 1.981 55.737 54.000 -0.406 0.000 0.828 417 D CB -0.856 39.507 40.800 -0.729 0.000 0.963 417 D HN 0.351 nan 8.370 nan 0.000 0.450 418 T N -1.033 113.354 114.554 -0.278 0.000 2.803 418 T HA -0.162 4.226 4.350 0.064 0.000 0.269 418 T C 1.652 176.228 174.700 -0.207 0.000 1.052 418 T CA 1.330 63.310 62.100 -0.201 0.000 1.136 418 T CB -0.262 68.484 68.868 -0.202 0.000 0.864 418 T HN 0.141 nan 8.240 nan 0.000 0.467 419 Q N 0.628 120.233 119.800 -0.325 0.000 2.291 419 Q HA -0.003 4.376 4.340 0.064 0.000 0.206 419 Q C 2.254 178.137 176.000 -0.195 0.000 0.976 419 Q CA 0.723 56.276 55.803 -0.416 0.000 0.875 419 Q CB -0.477 27.606 28.738 -1.091 0.000 0.927 419 Q HN 0.515 nan 8.270 nan 0.000 0.450 420 I N 0.830 121.338 120.570 -0.103 0.000 2.286 420 I HA -0.208 4.000 4.170 0.064 0.000 0.248 420 I C 2.269 178.394 176.117 0.014 0.000 1.115 420 I CA 1.693 62.997 61.300 0.007 0.000 1.392 420 I CB -1.338 36.672 38.000 0.017 0.000 1.065 420 I HN 0.201 nan 8.210 nan 0.000 0.418 421 S N 0.327 116.018 115.700 -0.015 0.000 2.404 421 S HA -0.072 4.437 4.470 0.064 0.000 0.223 421 S C 2.177 176.777 174.600 -0.001 0.000 1.040 421 S CA 0.178 58.381 58.200 0.005 0.000 0.957 421 S CB -0.359 62.843 63.200 0.004 0.000 0.826 421 S HN 0.299 nan 8.310 nan 0.000 0.491 422 R N 0.889 121.366 120.500 -0.038 0.000 2.081 422 R HA 0.153 4.532 4.340 0.064 0.000 0.235 422 R C 1.485 177.766 176.300 -0.031 0.000 1.131 422 R CA 1.490 57.567 56.100 -0.039 0.000 0.960 422 R CB -0.239 30.013 30.300 -0.080 0.000 0.856 422 R HN 0.455 nan 8.270 nan 0.000 0.436 423 L N -1.089 120.105 121.223 -0.048 0.000 2.808 423 L HA 0.332 4.710 4.340 0.064 0.000 0.246 423 L C 0.845 177.737 176.870 0.038 0.000 1.153 423 L CA 0.303 55.128 54.840 -0.025 0.000 0.956 423 L CB 1.177 43.210 42.059 -0.042 0.000 1.270 423 L HN 0.569 nan 8.230 nan 0.000 0.528 424 G N 0.047 108.890 108.800 0.073 0.000 2.159 424 G HA2 -0.101 3.898 3.960 0.064 0.000 0.256 424 G HA3 -0.101 3.898 3.960 0.064 0.000 0.256 424 G C 0.458 175.486 174.900 0.213 0.000 0.977 424 G CA 0.037 45.231 45.100 0.157 0.000 0.652 424 G HN 0.786 nan 8.290 nan 0.000 0.531 425 G N -1.517 107.397 108.800 0.191 0.000 2.350 425 G HA2 0.567 4.565 3.960 0.064 0.000 0.282 425 G HA3 0.567 4.565 3.960 0.064 0.000 0.282 425 G C -2.148 172.912 174.900 0.266 0.000 1.314 425 G CA 0.401 45.616 45.100 0.192 0.000 0.915 425 G HN 0.503 nan 8.290 nan 0.000 0.499 426 P HA 0.136 nan 4.420 nan 0.000 0.255 426 P C 0.368 177.708 177.300 0.065 0.000 1.248 426 P CA 0.337 63.554 63.100 0.196 0.000 0.807 426 P CB 0.186 31.953 31.700 0.111 0.000 1.150 427 N N 0.486 119.231 118.700 0.075 0.000 2.346 427 N HA 0.042 4.821 4.740 0.064 0.000 0.225 427 N C 1.115 176.493 175.510 -0.219 0.000 1.144 427 N CA -0.122 52.870 53.050 -0.097 0.000 0.837 427 N CB -0.692 37.768 38.487 -0.045 0.000 1.069 427 N HN 0.272 nan 8.380 nan 0.000 0.487 428 F N 1.006 120.941 119.950 -0.025 0.000 2.250 428 F HA -0.139 4.417 4.527 0.047 0.000 0.301 428 F C 2.243 177.971 175.800 -0.120 0.000 1.077 428 F CA 0.947 58.902 58.000 -0.076 0.000 1.348 428 F CB -0.843 38.133 39.000 -0.039 0.000 1.040 428 F HN 0.191 nan 8.300 nan 0.000 0.509 429 H N 0.437 119.144 119.070 -0.605 0.000 2.545 429 H HA 0.042 4.635 4.556 0.062 0.000 0.282 429 H C 0.879 176.048 175.328 -0.265 0.000 1.020 429 H CA 1.364 57.147 56.048 -0.442 0.000 1.243 429 H CB -0.813 28.545 29.762 -0.673 0.000 1.377 429 H HN 0.542 nan 8.280 nan 0.000 0.581 430 E N 0.869 120.623 120.200 -0.744 0.000 2.478 430 E HA 0.179 4.568 4.350 0.064 0.000 0.194 430 E C 0.310 176.786 176.600 -0.207 0.000 1.045 430 E CA -0.274 55.868 56.400 -0.431 0.000 0.868 430 E CB 0.506 29.961 29.700 -0.408 0.000 0.885 430 E HN 0.428 nan 8.360 nan 0.000 0.505 431 I N 2.389 122.859 120.570 -0.165 0.000 2.618 431 I HA -0.032 4.177 4.170 0.064 0.000 0.284 431 I C -1.564 174.488 176.117 -0.109 0.000 1.146 431 I CA -1.566 59.669 61.300 -0.109 0.000 1.425 431 I CB 0.806 38.755 38.000 -0.085 0.000 1.383 431 I HN -0.210 nan 8.210 nan 0.000 0.562 432 P HA -0.234 nan 4.420 nan 0.000 0.216 432 P C 1.752 178.973 177.300 -0.132 0.000 1.157 432 P CA 1.237 64.275 63.100 -0.104 0.000 0.880 432 P CB 0.175 31.820 31.700 -0.091 0.000 0.791 433 I N -0.507 119.955 120.570 -0.180 0.000 2.335 433 I HA -0.227 3.982 4.170 0.064 0.000 0.251 433 I C 1.338 177.373 176.117 -0.136 0.000 1.129 433 I CA 1.793 62.934 61.300 -0.266 0.000 1.402 433 I CB -0.638 37.076 38.000 -0.477 0.000 1.069 433 I HN -0.087 nan 8.210 nan 0.000 0.424 434 N N 0.692 119.328 118.700 -0.106 0.000 2.463 434 N HA 0.021 4.799 4.740 0.064 0.000 0.181 434 N C 0.274 175.784 175.510 0.000 0.000 1.078 434 N CA 0.215 53.234 53.050 -0.051 0.000 0.902 434 N CB -0.164 38.310 38.487 -0.021 0.000 0.970 434 N HN 0.394 nan 8.380 nan 0.000 0.451 435 R N 1.855 122.351 120.500 -0.007 0.000 2.522 435 R HA 0.120 4.499 4.340 0.064 0.000 0.284 435 R C -2.165 174.194 176.300 0.099 0.000 1.032 435 R CA -1.126 54.978 56.100 0.006 0.000 1.049 435 R CB -0.124 30.166 30.300 -0.018 0.000 0.956 435 R HN 0.066 nan 8.270 nan 0.000 0.422 436 P HA -0.035 nan 4.420 nan 0.000 0.269 436 P C 0.585 177.959 177.300 0.124 0.000 1.209 436 P CA 0.024 63.206 63.100 0.136 0.000 0.776 436 P CB 0.687 32.423 31.700 0.059 0.000 0.876 437 T N -1.651 112.992 114.554 0.149 0.000 3.054 437 T HA 0.228 4.616 4.350 0.064 0.000 0.259 437 T C 0.962 175.711 174.700 0.083 0.000 1.092 437 T CA 0.141 62.284 62.100 0.072 0.000 1.121 437 T CB -0.337 68.559 68.868 0.046 0.000 0.912 437 T HN 0.489 nan 8.240 nan 0.000 0.489 438 A N 3.109 125.993 122.820 0.107 0.000 2.406 438 A HA 0.552 4.911 4.320 0.064 0.000 0.243 438 A C -2.112 175.533 177.584 0.103 0.000 1.082 438 A CA -1.367 50.730 52.037 0.100 0.000 0.786 438 A CB -0.396 18.666 19.000 0.103 0.000 1.029 438 A HN 0.302 nan 8.150 nan 0.000 0.495 439 P HA 0.255 nan 4.420 nan 0.000 0.267 439 P C -1.066 176.312 177.300 0.129 0.000 1.200 439 P CA 0.665 63.834 63.100 0.116 0.000 0.772 439 P CB 0.084 31.901 31.700 0.194 0.000 0.855 440 Y N 0.790 120.979 120.300 -0.184 0.000 2.386 440 Y HA 0.646 5.235 4.550 0.064 0.000 0.334 440 Y C -1.435 174.147 175.900 -0.530 0.000 1.002 440 Y CA -0.956 57.019 58.100 -0.208 0.000 1.068 440 Y CB 1.433 39.791 38.460 -0.171 0.000 1.203 440 Y HN 0.404 nan 8.280 nan 0.000 0.443 441 H N 4.016 122.965 119.070 -0.201 0.000 2.877 441 H HA 0.516 5.111 4.556 0.064 0.000 0.347 441 H C -1.117 174.084 175.328 -0.211 0.000 1.042 441 H CA -0.768 55.079 56.048 -0.335 0.000 1.276 441 H CB 1.566 31.174 29.762 -0.258 0.000 1.681 441 H HN 0.890 nan 8.280 nan 0.000 0.521 442 N N 0.503 119.094 118.700 -0.181 0.000 3.449 442 N HA 0.218 4.997 4.740 0.064 0.000 0.312 442 N C -1.094 174.179 175.510 -0.395 0.000 1.582 442 N CA -0.925 51.980 53.050 -0.240 0.000 0.850 442 N CB 0.706 39.209 38.487 0.026 0.000 1.822 442 N HN 0.289 nan 8.380 nan 0.000 0.577 443 F N -0.414 119.579 119.950 0.071 0.000 2.653 443 F HA 0.369 4.930 4.527 0.057 0.000 0.304 443 F C 0.415 176.258 175.800 0.071 0.000 1.092 443 F CA -0.360 57.675 58.000 0.059 0.000 1.279 443 F CB 0.209 39.238 39.000 0.048 0.000 1.044 443 F HN 0.138 nan 8.300 nan 0.000 0.564 444 Q N 1.539 121.451 119.800 0.186 0.000 2.373 444 Q HA 0.424 4.803 4.340 0.064 0.000 0.255 444 Q C 0.024 176.101 176.000 0.129 0.000 0.980 444 Q CA -0.058 55.831 55.803 0.144 0.000 0.882 444 Q CB 1.029 29.826 28.738 0.099 0.000 1.249 444 Q HN 0.074 nan 8.270 nan 0.000 0.438 445 R N 1.578 122.147 120.500 0.114 0.000 2.774 445 R HA 0.359 4.738 4.340 0.064 0.000 0.272 445 R C -0.745 175.603 176.300 0.080 0.000 1.000 445 R CA -0.607 55.551 56.100 0.098 0.000 0.906 445 R CB 1.333 31.693 30.300 0.100 0.000 1.227 445 R HN 0.730 nan 8.270 nan 0.000 0.468 446 D N -0.226 120.214 120.400 0.066 0.000 3.555 446 D HA -0.152 4.526 4.640 0.064 0.000 0.215 446 D C 0.322 176.650 176.300 0.046 0.000 1.480 446 D CA 1.859 55.887 54.000 0.047 0.000 1.126 446 D CB -1.121 39.704 40.800 0.042 0.000 0.676 446 D HN 0.904 nan 8.370 nan 0.000 0.824 447 G N -1.111 107.708 108.800 0.032 0.000 2.733 447 G HA2 0.179 4.178 3.960 0.064 0.000 0.686 447 G HA3 0.179 4.178 3.960 0.064 0.000 0.686 447 G C -0.193 174.704 174.900 -0.004 0.000 1.373 447 G CA 0.133 45.250 45.100 0.029 0.000 0.838 447 G HN 0.840 nan 8.290 nan 0.000 0.588 448 M N 2.198 121.777 119.600 -0.034 0.000 2.252 448 M HA 0.421 4.939 4.480 0.064 0.000 0.333 448 M C 1.396 177.606 176.300 -0.151 0.000 1.111 448 M CA 0.869 56.053 55.300 -0.194 0.000 1.140 448 M CB -0.388 32.039 32.600 -0.288 0.000 1.538 448 M HN 1.192 nan 8.290 nan 0.000 0.448 449 H N 0.289 119.364 119.070 0.008 0.000 2.839 449 H HA -0.164 4.429 4.556 0.062 0.000 0.298 449 H C -0.385 174.935 175.328 -0.013 0.000 1.224 449 H CA 0.747 56.795 56.048 0.001 0.000 1.144 449 H CB -1.881 27.882 29.762 0.002 0.000 1.372 449 H HN 0.619 nan 8.280 nan 0.000 0.408 450 R N 1.251 121.781 120.500 0.050 0.000 2.351 450 R HA 0.123 4.502 4.340 0.064 0.000 0.318 450 R C 1.269 177.585 176.300 0.026 0.000 1.055 450 R CA -0.082 56.038 56.100 0.034 0.000 0.968 450 R CB 0.322 30.638 30.300 0.027 0.000 0.974 450 R HN 0.123 nan 8.270 nan 0.000 0.439 451 M N 2.594 122.199 119.600 0.007 0.000 2.412 451 M HA 0.224 4.742 4.480 0.064 0.000 0.263 451 M C 0.949 177.250 176.300 0.001 0.000 1.122 451 M CA 1.015 56.315 55.300 0.000 0.000 1.179 451 M CB -0.864 31.722 32.600 -0.023 0.000 1.335 451 M HN 0.700 nan 8.290 nan 0.000 0.465 452 G N 1.973 110.777 108.800 0.007 0.000 2.365 452 G HA2 0.378 4.377 3.960 0.064 0.000 0.249 452 G HA3 0.378 4.377 3.960 0.064 0.000 0.249 452 G C -0.321 174.579 174.900 0.001 0.000 1.288 452 G CA -0.368 44.733 45.100 0.002 0.000 0.887 452 G HN 0.324 nan 8.290 nan 0.000 0.524 453 I N 2.925 123.489 120.570 -0.011 0.000 2.287 453 I HA 0.091 4.299 4.170 0.064 0.000 0.290 453 I C -0.232 175.876 176.117 -0.014 0.000 1.069 453 I CA -0.543 60.754 61.300 -0.005 0.000 1.237 453 I CB 0.866 38.863 38.000 -0.005 0.000 1.418 453 I HN 0.346 nan 8.210 nan 0.000 0.481 454 D N 4.895 125.292 120.400 -0.006 0.000 2.383 454 D HA 0.055 4.734 4.640 0.064 0.000 0.252 454 D C 1.239 177.540 176.300 0.002 0.000 1.166 454 D CA 0.266 54.260 54.000 -0.011 0.000 0.879 454 D CB 1.766 42.567 40.800 0.000 0.000 1.164 454 D HN 0.574 nan 8.370 nan 0.000 0.462 455 T N -0.829 113.721 114.554 -0.006 0.000 3.044 455 T HA -0.063 4.326 4.350 0.064 0.000 0.250 455 T C 0.867 175.576 174.700 0.015 0.000 1.081 455 T CA -0.511 61.590 62.100 0.003 0.000 1.040 455 T CB 0.184 69.047 68.868 -0.008 0.000 0.962 455 T HN 0.127 nan 8.240 nan 0.000 0.506 456 N N 3.319 122.028 118.700 0.015 0.000 2.411 456 N HA 0.092 4.871 4.740 0.064 0.000 0.265 456 N C -1.677 173.870 175.510 0.063 0.000 1.266 456 N CA -1.559 51.512 53.050 0.034 0.000 0.889 456 N CB 1.374 39.879 38.487 0.030 0.000 1.069 456 N HN 0.035 nan 8.380 nan 0.000 0.476 457 P HA -0.067 nan 4.420 nan 0.000 0.217 457 P C -0.515 176.845 177.300 0.100 0.000 1.148 457 P CA 1.079 64.224 63.100 0.075 0.000 0.828 457 P CB 0.133 31.874 31.700 0.068 0.000 0.783 458 A N 0.605 123.472 122.820 0.079 0.000 2.309 458 A HA 0.338 4.696 4.320 0.064 0.000 0.298 458 A C 0.549 178.234 177.584 0.168 0.000 1.165 458 A CA -0.584 51.453 52.037 0.000 0.000 0.821 458 A CB -0.221 18.616 19.000 -0.273 0.000 1.102 458 A HN 0.312 nan 8.150 nan 0.000 0.500 459 N N 0.564 119.392 118.700 0.213 0.000 2.401 459 N HA 0.376 5.154 4.740 0.064 0.000 0.264 459 N C -0.931 174.743 175.510 0.272 0.000 1.238 459 N CA -0.369 52.897 53.050 0.361 0.000 0.889 459 N CB 0.291 38.946 38.487 0.280 0.000 1.196 459 N HN 0.688 nan 8.380 nan 0.000 0.511 460 Y N -1.235 118.924 120.300 -0.235 0.000 2.609 460 Y HA 0.648 5.234 4.550 0.060 0.000 0.336 460 Y C -1.538 173.740 175.900 -1.037 0.000 1.129 460 Y CA -1.386 56.411 58.100 -0.506 0.000 1.040 460 Y CB 0.960 39.287 38.460 -0.222 0.000 1.310 460 Y HN 0.082 nan 8.280 nan 0.000 0.460 461 E N 0.762 120.479 120.200 -0.806 0.000 2.356 461 E HA 0.646 5.034 4.350 0.064 0.000 0.275 461 E C -3.179 173.315 176.600 -0.177 0.000 0.904 461 E CA -2.056 53.982 56.400 -0.603 0.000 0.757 461 E CB 1.656 30.946 29.700 -0.683 0.000 1.232 461 E HN 0.570 nan 8.360 nan 0.000 0.442 462 P HA 0.254 nan 4.420 nan 0.000 0.275 462 P C -1.263 176.002 177.300 -0.059 0.000 1.227 462 P CA -0.387 62.654 63.100 -0.099 0.000 0.781 462 P CB 0.466 32.139 31.700 -0.045 0.000 0.906 463 N N -1.118 117.473 118.700 -0.182 0.000 2.229 463 N HA 0.329 5.108 4.740 0.064 0.000 0.298 463 N C 0.380 175.849 175.510 -0.068 0.000 1.114 463 N CA -0.750 52.206 53.050 -0.157 0.000 0.776 463 N CB 1.548 39.668 38.487 -0.612 0.000 1.501 463 N HN 0.191 nan 8.380 nan 0.000 0.474 464 S N 1.048 116.753 115.700 0.009 0.000 2.483 464 S HA -0.029 4.480 4.470 0.064 0.000 0.221 464 S C 1.606 176.221 174.600 0.024 0.000 1.030 464 S CA 0.107 58.313 58.200 0.009 0.000 0.925 464 S CB -0.804 62.413 63.200 0.027 0.000 0.795 464 S HN 0.718 nan 8.310 nan 0.000 0.511 465 I N -0.554 120.040 120.570 0.040 0.000 2.756 465 I HA 0.167 4.375 4.170 0.064 0.000 0.262 465 I C 1.249 177.399 176.117 0.055 0.000 1.225 465 I CA 1.378 62.712 61.300 0.056 0.000 1.472 465 I CB -0.424 37.629 38.000 0.088 0.000 1.094 465 I HN 0.195 nan 8.210 nan 0.000 0.454 466 N N 1.236 119.965 118.700 0.048 0.000 2.351 466 N HA 0.043 4.821 4.740 0.064 0.000 0.254 466 N C -0.092 175.519 175.510 0.168 0.000 1.241 466 N CA -0.103 53.016 53.050 0.114 0.000 0.883 466 N CB -0.030 38.537 38.487 0.134 0.000 1.202 466 N HN 0.178 nan 8.380 nan 0.000 0.512 467 D N 0.909 121.358 120.400 0.082 0.000 2.737 467 D HA -0.266 4.413 4.640 0.064 0.000 0.233 467 D C -0.016 176.167 176.300 -0.195 0.000 1.155 467 D CA 1.109 55.112 54.000 0.006 0.000 0.667 467 D CB -1.228 39.647 40.800 0.125 0.000 1.060 467 D HN 0.514 nan 8.370 nan 0.000 0.427 468 N N -1.792 116.829 118.700 -0.131 0.000 2.828 468 N HA -0.246 4.532 4.740 0.064 0.000 0.248 468 N C -0.750 174.685 175.510 -0.125 0.000 1.044 468 N CA 1.373 54.316 53.050 -0.178 0.000 0.851 468 N CB -1.339 36.992 38.487 -0.260 0.000 1.136 468 N HN 0.537 nan 8.380 nan 0.000 0.572 469 W N 1.117 122.464 121.300 0.079 0.000 2.313 469 W HA 0.434 5.131 4.660 0.062 0.000 0.328 469 W C -1.634 174.915 176.519 0.051 0.000 1.197 469 W CA -1.586 55.786 57.345 0.044 0.000 1.235 469 W CB 0.581 30.020 29.460 -0.033 0.000 1.158 469 W HN -0.037 nan 8.180 nan 0.000 0.578 470 P HA 0.202 nan 4.420 nan 0.000 0.275 470 P C -0.748 176.692 177.300 0.232 0.000 1.228 470 P CA -0.169 63.069 63.100 0.229 0.000 0.786 470 P CB 0.971 32.650 31.700 -0.036 0.000 0.927 471 R N 1.164 121.790 120.500 0.211 0.000 2.604 471 R HA 0.303 4.682 4.340 0.064 0.000 0.287 471 R C 0.383 176.724 176.300 0.069 0.000 0.970 471 R CA -0.797 55.304 56.100 0.003 0.000 0.946 471 R CB 1.106 31.189 30.300 -0.362 0.000 1.127 471 R HN 0.495 nan 8.270 nan 0.000 0.473 472 E N 0.722 120.950 120.200 0.047 0.000 2.458 472 E HA -0.013 4.375 4.350 0.064 0.000 0.264 472 E C -0.521 176.106 176.600 0.045 0.000 1.097 472 E CA 0.790 57.225 56.400 0.058 0.000 0.973 472 E CB 0.548 30.271 29.700 0.039 0.000 0.963 472 E HN 0.365 nan 8.360 nan 0.000 0.451 473 T N 3.292 117.882 114.554 0.060 0.000 2.881 473 T HA 0.321 4.709 4.350 0.064 0.000 0.291 473 T C -2.455 172.271 174.700 0.043 0.000 0.990 473 T CA -1.496 60.637 62.100 0.055 0.000 0.976 473 T CB 1.504 70.417 68.868 0.075 0.000 0.970 473 T HN 0.234 nan 8.240 nan 0.000 0.438 474 P HA 0.195 nan 4.420 nan 0.000 0.268 474 P C -2.380 174.927 177.300 0.012 0.000 1.208 474 P CA -1.026 62.082 63.100 0.014 0.000 0.777 474 P CB -0.254 31.450 31.700 0.006 0.000 0.875 475 P HA 0.310 nan 4.420 nan 0.000 0.272 475 P C -0.020 177.269 177.300 -0.018 0.000 1.240 475 P CA 0.263 63.349 63.100 -0.023 0.000 0.791 475 P CB 0.745 32.410 31.700 -0.059 0.000 0.978 476 G N 0.017 108.805 108.800 -0.021 0.000 2.428 476 G HA2 0.347 4.345 3.960 0.064 0.000 0.304 476 G HA3 0.347 4.345 3.960 0.064 0.000 0.304 476 G C -2.595 172.295 174.900 -0.017 0.000 1.303 476 G CA -0.660 44.431 45.100 -0.015 0.000 0.825 476 G HN 0.102 nan 8.290 nan 0.000 0.484 477 P HA 0.119 nan 4.420 nan 0.000 0.218 477 P C 0.129 177.425 177.300 -0.006 0.000 1.149 477 P CA 1.195 64.287 63.100 -0.013 0.000 0.817 477 P CB 0.123 31.818 31.700 -0.008 0.000 0.785 478 K N -2.262 118.142 120.400 0.006 0.000 2.551 478 K HA 0.405 4.763 4.320 0.064 0.000 0.269 478 K C -0.294 176.323 176.600 0.028 0.000 0.949 478 K CA -0.905 55.392 56.287 0.017 0.000 0.849 478 K CB 1.793 34.305 32.500 0.020 0.000 1.411 478 K HN -0.366 nan 8.250 nan 0.000 0.432 479 R N -0.669 119.856 120.500 0.042 0.000 3.863 479 R HA -0.147 4.232 4.340 0.064 0.000 0.313 479 R C 0.015 176.347 176.300 0.052 0.000 1.202 479 R CA 1.079 57.211 56.100 0.052 0.000 0.852 479 R CB -2.263 28.067 30.300 0.050 0.000 1.292 479 R HN 0.954 nan 8.270 nan 0.000 0.519 480 G N -0.783 108.042 108.800 0.043 0.000 2.511 480 G HA2 0.615 4.613 3.960 0.064 0.000 0.316 480 G HA3 0.615 4.613 3.960 0.064 0.000 0.316 480 G C 0.309 175.244 174.900 0.058 0.000 1.210 480 G CA 0.075 45.198 45.100 0.039 0.000 0.969 480 G HN 0.239 nan 8.290 nan 0.000 0.492 481 G N -1.289 107.546 108.800 0.058 0.000 2.569 481 G HA2 0.400 4.399 3.960 0.064 0.000 0.249 481 G HA3 0.400 4.399 3.960 0.064 0.000 0.249 481 G C -0.631 174.322 174.900 0.088 0.000 1.216 481 G CA -0.536 44.620 45.100 0.093 0.000 0.845 481 G HN 0.443 nan 8.290 nan 0.000 0.568 482 F N 0.665 120.632 119.950 0.029 0.000 2.504 482 F HA 0.344 4.912 4.527 0.069 0.000 0.369 482 F C 0.607 176.423 175.800 0.027 0.000 1.082 482 F CA -0.068 57.945 58.000 0.022 0.000 1.216 482 F CB 0.748 39.764 39.000 0.026 0.000 1.108 482 F HN 0.457 nan 8.300 nan 0.000 0.554 483 E N 4.114 123.934 120.200 -0.633 0.000 2.272 483 E HA 0.328 4.716 4.350 0.064 0.000 0.269 483 E C -1.152 175.105 176.600 -0.572 0.000 0.877 483 E CA -0.812 55.369 56.400 -0.365 0.000 0.755 483 E CB 1.640 31.226 29.700 -0.190 0.000 1.192 483 E HN 0.592 nan 8.360 nan 0.000 0.422 484 S N 2.388 117.990 115.700 -0.163 0.000 2.576 484 S HA 0.036 4.544 4.470 0.064 0.000 0.276 484 S C -0.628 173.956 174.600 -0.027 0.000 1.339 484 S CA -0.386 57.803 58.200 -0.018 0.000 1.039 484 S CB 0.167 63.480 63.200 0.189 0.000 0.902 484 S HN 0.470 nan 8.310 nan 0.000 0.516 485 Y N 2.579 122.814 120.300 -0.108 0.000 2.717 485 Y HA -0.025 4.562 4.550 0.063 0.000 0.330 485 Y C 0.812 176.692 175.900 -0.033 0.000 1.217 485 Y CA 0.157 58.205 58.100 -0.087 0.000 1.506 485 Y CB 0.169 38.577 38.460 -0.086 0.000 1.268 485 Y HN 0.580 nan 8.280 nan 0.000 0.561 486 Q N 5.225 124.655 119.800 -0.616 0.000 3.184 486 Q HA 0.020 4.399 4.340 0.064 0.000 0.288 486 Q C -0.236 175.457 176.000 -0.511 0.000 1.412 486 Q CA -0.032 55.514 55.803 -0.428 0.000 0.991 486 Q CB -0.215 28.348 28.738 -0.292 0.000 1.688 486 Q HN 0.634 nan 8.270 nan 0.000 0.554 487 E N 1.484 121.487 120.200 -0.328 0.000 2.414 487 E HA -0.012 4.377 4.350 0.064 0.000 0.263 487 E C -0.227 176.344 176.600 -0.050 0.000 1.000 487 E CA -0.455 55.882 56.400 -0.105 0.000 0.914 487 E CB 0.633 30.418 29.700 0.140 0.000 0.948 487 E HN 0.148 nan 8.360 nan 0.000 0.444 488 R N 2.952 123.445 120.500 -0.012 0.000 2.442 488 R HA 0.172 4.551 4.340 0.064 0.000 0.291 488 R C -1.408 174.917 176.300 0.042 0.000 1.069 488 R CA -0.107 55.998 56.100 0.009 0.000 1.022 488 R CB 0.733 31.046 30.300 0.022 0.000 0.976 488 R HN 0.292 nan 8.270 nan 0.000 0.443 489 V N 5.063 124.995 119.914 0.029 0.000 2.448 489 V HA 0.399 4.558 4.120 0.064 0.000 0.295 489 V C -0.536 175.573 176.094 0.025 0.000 1.025 489 V CA -0.560 61.762 62.300 0.036 0.000 0.859 489 V CB 1.624 33.465 31.823 0.030 0.000 0.988 489 V HN 0.820 nan 8.190 nan 0.000 0.431 490 E N 3.020 123.237 120.200 0.028 0.000 2.302 490 E HA 0.696 5.085 4.350 0.064 0.000 0.263 490 E C -0.115 176.493 176.600 0.012 0.000 0.897 490 E CA -0.417 55.992 56.400 0.016 0.000 0.809 490 E CB 2.293 32.002 29.700 0.015 0.000 1.270 490 E HN 0.961 nan 8.360 nan 0.000 0.410 491 G N 2.366 111.169 108.800 0.004 0.000 2.338 491 G HA2 0.171 4.170 3.960 0.064 0.000 0.295 491 G HA3 0.171 4.170 3.960 0.064 0.000 0.295 491 G C -1.431 173.465 174.900 -0.008 0.000 1.461 491 G CA -1.026 44.072 45.100 -0.003 0.000 0.817 491 G HN 0.346 nan 8.290 nan 0.000 0.556 492 N N 0.102 118.794 118.700 -0.013 0.000 2.493 492 N HA 0.396 5.174 4.740 0.064 0.000 0.275 492 N C -0.119 175.379 175.510 -0.020 0.000 1.186 492 N CA -0.448 52.593 53.050 -0.016 0.000 0.978 492 N CB 0.938 39.415 38.487 -0.017 0.000 1.184 492 N HN 0.395 nan 8.380 nan 0.000 0.487 493 K N 1.133 121.520 120.400 -0.021 0.000 2.351 493 K HA 0.149 4.508 4.320 0.064 0.000 0.287 493 K C -0.713 175.867 176.600 -0.034 0.000 1.068 493 K CA -0.097 56.174 56.287 -0.027 0.000 0.998 493 K CB -0.294 32.191 32.500 -0.025 0.000 0.968 493 K HN 0.341 nan 8.250 nan 0.000 0.464 494 V N 0.349 120.237 119.914 -0.042 0.000 2.925 494 V HA 0.474 4.633 4.120 0.064 0.000 0.311 494 V C -0.578 175.478 176.094 -0.065 0.000 1.104 494 V CA -1.323 60.947 62.300 -0.049 0.000 0.954 494 V CB 2.027 33.823 31.823 -0.046 0.000 1.022 494 V HN 0.616 nan 8.190 nan 0.000 0.427 495 R N 2.547 123.005 120.500 -0.070 0.000 2.369 495 R HA 0.627 5.006 4.340 0.064 0.000 0.310 495 R C -0.551 175.703 176.300 -0.077 0.000 1.141 495 R CA -0.165 55.881 56.100 -0.089 0.000 1.116 495 R CB 0.924 31.159 30.300 -0.109 0.000 1.135 495 R HN 0.953 nan 8.270 nan 0.000 0.529 496 E N 2.260 122.410 120.200 -0.082 0.000 2.321 496 E HA 0.190 4.578 4.350 0.064 0.000 0.281 496 E C -1.306 175.227 176.600 -0.111 0.000 0.910 496 E CA -0.979 55.375 56.400 -0.077 0.000 0.770 496 E CB 1.527 31.188 29.700 -0.065 0.000 1.225 496 E HN 0.148 nan 8.360 nan 0.000 0.417 497 R N 1.956 122.394 120.500 -0.103 0.000 2.442 497 R HA 0.176 4.554 4.340 0.064 0.000 0.291 497 R C -0.454 175.724 176.300 -0.202 0.000 1.069 497 R CA 0.192 56.192 56.100 -0.167 0.000 1.022 497 R CB 0.976 31.238 30.300 -0.063 0.000 0.976 497 R HN 0.410 nan 8.270 nan 0.000 0.443 498 S N 5.326 120.788 115.700 -0.397 0.000 2.563 498 S HA 0.046 4.554 4.470 0.064 0.000 0.294 498 S C -1.448 173.117 174.600 -0.059 0.000 1.279 498 S CA -1.114 56.937 58.200 -0.247 0.000 1.069 498 S CB 0.566 63.555 63.200 -0.352 0.000 0.828 498 S HN 0.543 nan 8.310 nan 0.000 0.497 499 P HA -0.134 nan 4.420 nan 0.000 0.217 499 P C 1.515 178.870 177.300 0.091 0.000 1.148 499 P CA 1.471 64.594 63.100 0.039 0.000 0.828 499 P CB -0.122 31.592 31.700 0.023 0.000 0.783 500 S N -2.289 113.505 115.700 0.157 0.000 2.474 500 S HA -0.099 4.409 4.470 0.064 0.000 0.235 500 S C 1.427 176.192 174.600 0.274 0.000 0.997 500 S CA 0.774 59.096 58.200 0.205 0.000 0.949 500 S CB -1.350 62.005 63.200 0.259 0.000 0.766 500 S HN -0.013 nan 8.310 nan 0.000 0.517 501 F N 2.297 122.235 119.950 -0.020 0.000 2.797 501 F HA 0.374 4.940 4.527 0.064 0.000 0.302 501 F C 1.910 177.627 175.800 -0.139 0.000 1.130 501 F CA -0.807 57.172 58.000 -0.034 0.000 1.387 501 F CB -0.552 38.462 39.000 0.023 0.000 1.107 501 F HN 0.350 nan 8.300 nan 0.000 0.577 502 G N 0.442 109.228 108.800 -0.024 0.000 3.741 502 G HA2 0.134 4.132 3.960 0.064 0.000 0.263 502 G HA3 0.134 4.132 3.960 0.064 0.000 0.263 502 G C -0.123 174.330 174.900 -0.745 0.000 1.175 502 G CA 0.069 44.962 45.100 -0.345 0.000 1.642 502 G HN 0.028 nan 8.290 nan 0.000 0.644 503 E N 0.165 119.849 120.200 -0.860 0.000 2.275 503 E HA 0.371 4.760 4.350 0.064 0.000 0.270 503 E C -0.934 175.210 176.600 -0.761 0.000 0.882 503 E CA -0.781 55.195 56.400 -0.707 0.000 0.758 503 E CB 1.690 31.236 29.700 -0.256 0.000 1.195 503 E HN 0.208 nan 8.360 nan 0.000 0.419 504 Y N 2.436 122.525 120.300 -0.352 0.000 2.499 504 Y HA 0.206 4.794 4.550 0.064 0.000 0.253 504 Y C 0.663 176.269 175.900 -0.489 0.000 1.105 504 Y CA -0.150 57.640 58.100 -0.515 0.000 1.240 504 Y CB 0.418 38.418 38.460 -0.766 0.000 1.289 504 Y HN 0.412 nan 8.280 nan 0.000 0.534 505 Y N -1.866 118.523 120.300 0.148 0.000 2.535 505 Y HA 0.164 4.753 4.550 0.065 0.000 0.264 505 Y C 2.241 178.204 175.900 0.105 0.000 1.087 505 Y CA 0.216 58.397 58.100 0.134 0.000 1.285 505 Y CB -0.202 38.342 38.460 0.140 0.000 1.200 505 Y HN -0.136 nan 8.280 nan 0.000 0.514 506 S N -0.523 115.314 115.700 0.228 0.000 2.368 506 S HA -0.173 4.335 4.470 0.064 0.000 0.225 506 S C 1.655 176.329 174.600 0.124 0.000 1.030 506 S CA 1.438 59.750 58.200 0.187 0.000 0.999 506 S CB -0.418 62.900 63.200 0.197 0.000 0.844 506 S HN 0.572 nan 8.310 nan 0.000 0.459 507 H N 0.811 119.794 119.070 -0.145 0.000 2.357 507 H HA -0.002 4.592 4.556 0.065 0.000 0.301 507 H C -0.577 174.532 175.328 -0.365 0.000 1.082 507 H CA 1.033 56.836 56.048 -0.409 0.000 1.342 507 H CB -1.338 27.944 29.762 -0.799 0.000 1.389 507 H HN 0.332 nan 8.280 nan 0.000 0.511 508 P HA -0.173 nan 4.420 nan 0.000 0.215 508 P C 1.669 179.145 177.300 0.295 0.000 1.153 508 P CA 1.447 64.687 63.100 0.233 0.000 0.853 508 P CB -0.096 31.769 31.700 0.275 0.000 0.788 509 R N -0.389 120.239 120.500 0.214 0.000 2.073 509 R HA -0.146 4.232 4.340 0.064 0.000 0.234 509 R C 2.160 178.588 176.300 0.213 0.000 1.134 509 R CA 1.306 57.538 56.100 0.220 0.000 0.952 509 R CB -1.221 29.173 30.300 0.157 0.000 0.850 509 R HN 0.023 nan 8.270 nan 0.000 0.433 510 L N 0.626 121.914 121.223 0.108 0.000 2.021 510 L HA -0.203 4.175 4.340 0.064 0.000 0.215 510 L C 2.034 178.964 176.870 0.100 0.000 1.074 510 L CA 1.912 56.781 54.840 0.049 0.000 0.760 510 L CB -0.873 41.139 42.059 -0.079 0.000 0.889 510 L HN 0.284 nan 8.230 nan 0.000 0.433 511 F N -0.743 119.227 119.950 0.033 0.000 2.069 511 F HA -0.303 4.263 4.527 0.065 0.000 0.298 511 F C 2.375 178.180 175.800 0.008 0.000 1.113 511 F CA 2.348 60.344 58.000 -0.007 0.000 1.214 511 F CB -0.692 38.324 39.000 0.026 0.000 0.978 511 F HN 0.414 nan 8.300 nan 0.000 0.474 512 W N 1.251 122.556 121.300 0.009 0.000 2.335 512 W HA -0.255 4.444 4.660 0.064 0.000 0.311 512 W C 1.743 178.146 176.519 -0.194 0.000 1.213 512 W CA 1.751 59.047 57.345 -0.081 0.000 1.274 512 W CB -0.726 28.766 29.460 0.053 0.000 1.148 512 W HN 0.082 nan 8.180 nan 0.000 0.498 513 L N 1.102 122.251 121.223 -0.124 0.000 2.376 513 L HA -0.138 4.240 4.340 0.064 0.000 0.219 513 L C 2.286 178.967 176.870 -0.314 0.000 1.133 513 L CA 0.941 55.635 54.840 -0.243 0.000 0.816 513 L CB -0.540 41.503 42.059 -0.026 0.000 0.933 513 L HN -0.119 nan 8.230 nan 0.000 0.449 514 S N -1.495 113.999 115.700 -0.345 0.000 2.548 514 S HA 0.072 4.580 4.470 0.064 0.000 0.215 514 S C 0.700 175.012 174.600 -0.480 0.000 0.976 514 S CA -0.016 57.976 58.200 -0.347 0.000 0.908 514 S CB 0.104 63.125 63.200 -0.299 0.000 0.781 514 S HN 0.286 nan 8.310 nan 0.000 0.519 515 Q N 2.095 121.511 119.800 -0.641 0.000 2.260 515 Q HA 0.300 4.679 4.340 0.064 0.000 0.238 515 Q C 0.582 176.192 176.000 -0.650 0.000 0.948 515 Q CA -0.113 55.273 55.803 -0.695 0.000 0.895 515 Q CB 0.436 28.700 28.738 -0.789 0.000 1.218 515 Q HN 0.409 nan 8.270 nan 0.000 0.470 516 T N -2.157 111.963 114.554 -0.723 0.000 2.766 516 T HA 0.181 4.569 4.350 0.064 0.000 0.295 516 T C -1.787 172.452 174.700 -0.769 0.000 1.024 516 T CA -1.374 60.262 62.100 -0.773 0.000 1.018 516 T CB 0.405 68.561 68.868 -1.187 0.000 1.002 516 T HN 0.209 nan 8.240 nan 0.000 0.532 517 P HA -0.023 nan 4.420 nan 0.000 0.216 517 P C 1.376 178.467 177.300 -0.348 0.000 1.150 517 P CA 0.975 63.855 63.100 -0.367 0.000 0.837 517 P CB -0.254 31.346 31.700 -0.167 0.000 0.786 518 F N -0.070 119.688 119.950 -0.319 0.000 2.186 518 F HA -0.005 4.560 4.527 0.064 0.000 0.299 518 F C 1.853 177.299 175.800 -0.589 0.000 1.090 518 F CA 0.936 58.684 58.000 -0.419 0.000 1.307 518 F CB -1.697 37.037 39.000 -0.444 0.000 1.019 518 F HN -0.094 nan 8.300 nan 0.000 0.489 519 E N 0.496 120.157 120.200 -0.897 0.000 2.110 519 E HA -0.207 4.182 4.350 0.064 0.000 0.193 519 E C 2.231 178.645 176.600 -0.310 0.000 0.988 519 E CA 1.398 57.472 56.400 -0.544 0.000 0.804 519 E CB -0.270 29.063 29.700 -0.613 0.000 0.745 519 E HN 0.629 nan 8.360 nan 0.000 0.458 520 Q N 0.305 119.842 119.800 -0.437 0.000 2.084 520 Q HA -0.181 4.198 4.340 0.064 0.000 0.202 520 Q C 2.298 178.331 176.000 0.055 0.000 0.978 520 Q CA 1.038 56.626 55.803 -0.358 0.000 0.844 520 Q CB -0.205 28.043 28.738 -0.817 0.000 0.898 520 Q HN 0.150 nan 8.270 nan 0.000 0.426 521 R N 0.394 120.901 120.500 0.012 0.000 2.091 521 R HA -0.189 4.190 4.340 0.064 0.000 0.238 521 R C 1.701 178.196 176.300 0.324 0.000 1.136 521 R CA 1.696 57.901 56.100 0.174 0.000 0.959 521 R CB -0.189 30.196 30.300 0.142 0.000 0.856 521 R HN 0.514 nan 8.270 nan 0.000 0.437 522 H N -0.565 118.603 119.070 0.164 0.000 2.428 522 H HA -0.027 4.568 4.556 0.064 0.000 0.296 522 H C 2.207 177.656 175.328 0.202 0.000 1.062 522 H CA 1.048 57.209 56.048 0.187 0.000 1.350 522 H CB 0.110 29.989 29.762 0.195 0.000 1.403 522 H HN 0.217 nan 8.280 nan 0.000 0.533 523 I N 0.200 120.992 120.570 0.370 0.000 2.142 523 I HA -0.263 3.945 4.170 0.064 0.000 0.240 523 I C 2.332 178.743 176.117 0.491 0.000 1.078 523 I CA 0.795 62.347 61.300 0.420 0.000 1.343 523 I CB -0.173 38.169 38.000 0.569 0.000 1.046 523 I HN 0.064 nan 8.210 nan 0.000 0.405 524 V N 0.924 121.124 119.914 0.476 0.000 2.282 524 V HA -0.358 3.800 4.120 0.064 0.000 0.249 524 V C 2.046 178.318 176.094 0.297 0.000 1.057 524 V CA 2.230 64.752 62.300 0.369 0.000 1.032 524 V CB -0.671 31.332 31.823 0.300 0.000 0.645 524 V HN 0.433 nan 8.190 nan 0.000 0.447 525 D N 0.118 120.678 120.400 0.267 0.000 2.144 525 D HA -0.064 4.615 4.640 0.064 0.000 0.200 525 D C 2.169 178.557 176.300 0.147 0.000 0.978 525 D CA 1.414 55.538 54.000 0.206 0.000 0.833 525 D CB -0.583 40.340 40.800 0.205 0.000 0.961 525 D HN 0.469 nan 8.370 nan 0.000 0.470 526 G N 0.018 108.885 108.800 0.111 0.000 2.433 526 G HA2 -0.258 3.740 3.960 0.064 0.000 0.216 526 G HA3 -0.258 3.740 3.960 0.064 0.000 0.216 526 G C 1.452 176.367 174.900 0.025 0.000 1.186 526 G CA 0.242 45.318 45.100 -0.040 0.000 0.779 526 G HN 0.176 nan 8.290 nan 0.000 0.543 527 F N 1.717 121.707 119.950 0.066 0.000 2.134 527 F HA -0.045 4.520 4.527 0.064 0.000 0.299 527 F C 3.152 178.867 175.800 -0.141 0.000 1.097 527 F CA 1.518 59.488 58.000 -0.051 0.000 1.264 527 F CB -0.287 38.693 39.000 -0.032 0.000 1.001 527 F HN 0.085 nan 8.300 nan 0.000 0.479 528 S N -0.122 115.674 115.700 0.160 0.000 2.356 528 S HA -0.210 4.299 4.470 0.064 0.000 0.223 528 S C 1.897 176.514 174.600 0.029 0.000 1.032 528 S CA 1.265 59.505 58.200 0.067 0.000 1.005 528 S CB -0.787 62.475 63.200 0.104 0.000 0.867 528 S HN 0.394 nan 8.310 nan 0.000 0.449 529 F N 2.568 122.483 119.950 -0.058 0.000 2.102 529 F HA -0.127 4.438 4.527 0.064 0.000 0.298 529 F C 2.376 178.113 175.800 -0.106 0.000 1.105 529 F CA 1.561 59.513 58.000 -0.079 0.000 1.239 529 F CB -0.258 38.642 39.000 -0.168 0.000 0.991 529 F HN 0.154 nan 8.300 nan 0.000 0.474 530 E N 0.517 120.673 120.200 -0.073 0.000 2.051 530 E HA -0.211 4.177 4.350 0.064 0.000 0.192 530 E C 2.349 178.739 176.600 -0.350 0.000 0.991 530 E CA 1.639 57.963 56.400 -0.125 0.000 0.799 530 E CB -0.543 29.249 29.700 0.153 0.000 0.748 530 E HN 0.472 nan 8.360 nan 0.000 0.449 531 L N 1.465 122.399 121.223 -0.482 0.000 2.275 531 L HA -0.125 4.254 4.340 0.064 0.000 0.215 531 L C 2.724 179.425 176.870 -0.282 0.000 1.119 531 L CA 1.036 55.581 54.840 -0.493 0.000 0.790 531 L CB -0.461 41.324 42.059 -0.457 0.000 0.919 531 L HN 0.149 nan 8.230 nan 0.000 0.443 532 S N -0.596 114.952 115.700 -0.254 0.000 2.447 532 S HA -0.111 4.398 4.470 0.064 0.000 0.233 532 S C 1.757 176.239 174.600 -0.195 0.000 1.006 532 S CA 0.602 58.681 58.200 -0.201 0.000 0.957 532 S CB -0.104 62.980 63.200 -0.193 0.000 0.773 532 S HN 0.276 nan 8.310 nan 0.000 0.507 533 K N 1.252 121.512 120.400 -0.234 0.000 2.444 533 K HA 0.322 4.680 4.320 0.064 0.000 0.193 533 K C -0.023 176.570 176.600 -0.010 0.000 1.024 533 K CA -0.010 56.204 56.287 -0.122 0.000 1.077 533 K CB -0.176 32.244 32.500 -0.134 0.000 0.833 533 K HN 0.328 nan 8.250 nan 0.000 0.517 534 V N 2.211 122.098 119.914 -0.045 0.000 2.408 534 V HA 0.005 4.164 4.120 0.064 0.000 0.267 534 V C 1.698 177.779 176.094 -0.021 0.000 1.047 534 V CA -0.099 62.203 62.300 0.003 0.000 0.937 534 V CB 1.318 33.114 31.823 -0.046 0.000 0.999 534 V HN -0.127 nan 8.190 nan 0.000 0.472 535 V N 5.236 125.160 119.914 0.017 0.000 2.453 535 V HA -0.035 4.123 4.120 0.064 0.000 0.247 535 V C 1.322 177.405 176.094 -0.019 0.000 1.048 535 V CA 1.248 63.554 62.300 0.010 0.000 1.049 535 V CB -0.451 31.396 31.823 0.040 0.000 0.672 535 V HN 0.751 nan 8.190 nan 0.000 0.457 536 R N 0.834 121.298 120.500 -0.060 0.000 2.242 536 R HA 0.184 4.563 4.340 0.064 0.000 0.334 536 R C -1.765 174.417 176.300 -0.196 0.000 1.071 536 R CA -1.391 54.645 56.100 -0.107 0.000 0.922 536 R CB 0.671 30.840 30.300 -0.219 0.000 1.023 536 R HN 0.235 nan 8.270 nan 0.000 0.458 537 P HA -0.187 nan 4.420 nan 0.000 0.218 537 P C 0.721 177.979 177.300 -0.069 0.000 1.149 537 P CA 1.059 64.126 63.100 -0.055 0.000 0.817 537 P CB 0.018 31.725 31.700 0.012 0.000 0.785 538 Y N -1.258 119.043 120.300 0.002 0.000 2.333 538 Y HA -0.113 4.475 4.550 0.064 0.000 0.290 538 Y C 1.877 177.784 175.900 0.012 0.000 1.144 538 Y CA 0.765 58.867 58.100 0.003 0.000 1.228 538 Y CB -1.770 36.692 38.460 0.003 0.000 0.985 538 Y HN -0.096 nan 8.280 nan 0.000 0.542 539 I N 0.865 121.003 120.570 -0.720 0.000 2.252 539 I HA -0.242 3.967 4.170 0.064 0.000 0.245 539 I C 2.532 178.560 176.117 -0.149 0.000 1.102 539 I CA 1.396 62.460 61.300 -0.393 0.000 1.385 539 I CB -0.411 37.366 38.000 -0.373 0.000 1.064 539 I HN 0.199 nan 8.210 nan 0.000 0.414 540 R N 0.903 121.306 120.500 -0.162 0.000 2.091 540 R HA -0.191 4.187 4.340 0.064 0.000 0.238 540 R C 2.149 178.400 176.300 -0.082 0.000 1.136 540 R CA 1.550 57.571 56.100 -0.133 0.000 0.959 540 R CB -0.455 29.764 30.300 -0.134 0.000 0.856 540 R HN 0.440 nan 8.270 nan 0.000 0.437 541 E N 0.463 120.636 120.200 -0.046 0.000 2.085 541 E HA -0.199 4.189 4.350 0.064 0.000 0.194 541 E C 2.151 178.755 176.600 0.007 0.000 0.994 541 E CA 1.283 57.677 56.400 -0.010 0.000 0.801 541 E CB -0.045 29.673 29.700 0.030 0.000 0.743 541 E HN 0.276 nan 8.360 nan 0.000 0.453 542 R N 0.133 120.651 120.500 0.031 0.000 2.092 542 R HA -0.074 4.305 4.340 0.064 0.000 0.231 542 R C 2.389 178.714 176.300 0.041 0.000 1.119 542 R CA 0.860 56.992 56.100 0.052 0.000 0.970 542 R CB -0.148 30.203 30.300 0.084 0.000 0.864 542 R HN 0.049 nan 8.270 nan 0.000 0.440 543 V N 0.293 120.228 119.914 0.034 0.000 2.343 543 V HA -0.205 3.954 4.120 0.064 0.000 0.247 543 V C 2.244 178.321 176.094 -0.028 0.000 1.051 543 V CA 1.507 63.839 62.300 0.054 0.000 1.036 543 V CB -0.266 31.609 31.823 0.088 0.000 0.654 543 V HN 0.126 nan 8.190 nan 0.000 0.451 544 V N 0.499 120.371 119.914 -0.071 0.000 2.407 544 V HA -0.310 3.849 4.120 0.064 0.000 0.248 544 V C 2.296 178.348 176.094 -0.070 0.000 1.055 544 V CA 2.442 64.675 62.300 -0.111 0.000 1.049 544 V CB -0.672 31.091 31.823 -0.099 0.000 0.662 544 V HN 0.666 nan 8.190 nan 0.000 0.455 545 D N -0.537 119.856 120.400 -0.013 0.000 2.123 545 D HA -0.221 4.457 4.640 0.064 0.000 0.196 545 D C 2.261 178.636 176.300 0.125 0.000 0.992 545 D CA 1.539 55.564 54.000 0.041 0.000 0.833 545 D CB -0.056 40.786 40.800 0.070 0.000 0.954 545 D HN 0.510 nan 8.370 nan 0.000 0.455 546 Q N -0.410 119.443 119.800 0.088 0.000 2.084 546 Q HA -0.113 4.265 4.340 0.064 0.000 0.202 546 Q C 2.495 178.536 176.000 0.069 0.000 0.978 546 Q CA 0.927 56.800 55.803 0.117 0.000 0.844 546 Q CB -0.119 28.695 28.738 0.127 0.000 0.898 546 Q HN 0.404 nan 8.270 nan 0.000 0.426 547 L N 0.176 121.368 121.223 -0.052 0.000 2.079 547 L HA -0.206 4.173 4.340 0.064 0.000 0.210 547 L C 2.423 179.180 176.870 -0.187 0.000 1.081 547 L CA 0.925 55.655 54.840 -0.184 0.000 0.752 547 L CB -0.677 41.169 42.059 -0.355 0.000 0.896 547 L HN 0.233 nan 8.230 nan 0.000 0.433 548 A N -0.844 121.884 122.820 -0.154 0.000 2.125 548 A HA -0.217 4.141 4.320 0.064 0.000 0.219 548 A C 1.742 179.131 177.584 -0.324 0.000 1.156 548 A CA 1.425 53.330 52.037 -0.220 0.000 0.671 548 A CB -0.727 18.149 19.000 -0.207 0.000 0.794 548 A HN 0.473 nan 8.150 nan 0.000 0.459 549 H N -1.432 117.438 119.070 -0.333 0.000 2.551 549 H HA 0.281 4.876 4.556 0.065 0.000 0.266 549 H C 1.626 176.688 175.328 -0.444 0.000 0.964 549 H CA 0.908 56.620 56.048 -0.560 0.000 1.180 549 H CB 0.120 29.138 29.762 -1.240 0.000 1.408 549 H HN 0.498 nan 8.280 nan 0.000 0.563 550 I N -0.997 119.480 120.570 -0.154 0.000 2.499 550 I HA 0.059 4.268 4.170 0.064 0.000 0.243 550 I C -0.042 176.004 176.117 -0.118 0.000 1.085 550 I CA 0.593 61.867 61.300 -0.042 0.000 1.422 550 I CB 0.573 38.574 38.000 0.002 0.000 1.165 550 I HN 0.105 nan 8.210 nan 0.000 0.440 551 D N -1.219 119.036 120.400 -0.242 0.000 2.937 551 D HA 0.233 4.911 4.640 0.064 0.000 0.215 551 D C 0.175 176.314 176.300 -0.267 0.000 1.274 551 D CA -0.432 53.412 54.000 -0.260 0.000 0.869 551 D CB 1.358 41.882 40.800 -0.461 0.000 1.675 551 D HN -0.209 nan 8.370 nan 0.000 0.538 552 L N 2.347 123.472 121.223 -0.164 0.000 2.156 552 L HA 0.026 4.405 4.340 0.064 0.000 0.208 552 L C 2.156 178.949 176.870 -0.128 0.000 1.095 552 L CA 1.500 56.254 54.840 -0.143 0.000 0.770 552 L CB -1.418 40.584 42.059 -0.096 0.000 0.914 552 L HN 0.628 nan 8.230 nan 0.000 0.439 553 T N 0.283 114.789 114.554 -0.080 0.000 2.708 553 T HA -0.188 4.201 4.350 0.064 0.000 0.266 553 T C 1.927 176.575 174.700 -0.086 0.000 1.037 553 T CA 1.440 63.536 62.100 -0.005 0.000 1.146 553 T CB -0.350 68.611 68.868 0.155 0.000 0.865 553 T HN 0.195 nan 8.240 nan 0.000 0.435 554 L N 1.734 122.740 121.223 -0.361 0.000 1.990 554 L HA -0.060 4.318 4.340 0.064 0.000 0.213 554 L C 2.591 179.240 176.870 -0.369 0.000 1.072 554 L CA 2.260 56.724 54.840 -0.627 0.000 0.755 554 L CB -1.143 40.073 42.059 -1.405 0.000 0.889 554 L HN 0.220 nan 8.230 nan 0.000 0.432 555 A N -1.154 121.461 122.820 -0.341 0.000 1.877 555 A HA -0.271 4.088 4.320 0.064 0.000 0.216 555 A C 2.248 179.731 177.584 -0.169 0.000 1.186 555 A CA 1.927 53.806 52.037 -0.262 0.000 0.620 555 A CB -0.722 18.142 19.000 -0.225 0.000 0.822 555 A HN 0.696 nan 8.150 nan 0.000 0.443 556 Q N -0.901 118.823 119.800 -0.126 0.000 2.124 556 Q HA -0.116 4.262 4.340 0.064 0.000 0.202 556 Q C 2.385 178.356 176.000 -0.048 0.000 0.977 556 Q CA 1.402 57.161 55.803 -0.073 0.000 0.850 556 Q CB -0.337 28.374 28.738 -0.045 0.000 0.901 556 Q HN 0.707 nan 8.270 nan 0.000 0.429 557 A N -0.082 122.715 122.820 -0.038 0.000 1.929 557 A HA -0.096 4.263 4.320 0.064 0.000 0.216 557 A C 2.253 179.838 177.584 0.001 0.000 1.176 557 A CA 1.008 53.051 52.037 0.011 0.000 0.628 557 A CB -0.442 18.600 19.000 0.069 0.000 0.816 557 A HN 0.205 nan 8.150 nan 0.000 0.444 558 V N 0.032 119.917 119.914 -0.049 0.000 2.295 558 V HA -0.241 3.918 4.120 0.064 0.000 0.246 558 V C 3.060 179.118 176.094 -0.059 0.000 1.049 558 V CA 1.880 64.145 62.300 -0.057 0.000 1.024 558 V CB -1.315 30.416 31.823 -0.152 0.000 0.648 558 V HN 0.592 nan 8.190 nan 0.000 0.447 559 A N -0.136 122.639 122.820 -0.075 0.000 1.908 559 A HA -0.304 4.054 4.320 0.064 0.000 0.218 559 A C 2.349 179.913 177.584 -0.033 0.000 1.181 559 A CA 2.376 54.377 52.037 -0.060 0.000 0.627 559 A CB -0.539 18.424 19.000 -0.062 0.000 0.818 559 A HN 0.536 nan 8.150 nan 0.000 0.445 560 K N -0.414 119.975 120.400 -0.019 0.000 2.063 560 K HA -0.185 4.174 4.320 0.064 0.000 0.208 560 K C 1.539 178.143 176.600 0.007 0.000 1.048 560 K CA 1.608 57.894 56.287 -0.001 0.000 0.928 560 K CB -0.208 32.299 32.500 0.012 0.000 0.713 560 K HN 0.441 nan 8.250 nan 0.000 0.442 561 N N 0.642 119.350 118.700 0.012 0.000 2.381 561 N HA -0.114 4.665 4.740 0.064 0.000 0.182 561 N C 1.296 176.808 175.510 0.003 0.000 1.025 561 N CA 0.902 53.965 53.050 0.022 0.000 0.888 561 N CB 0.081 38.594 38.487 0.044 0.000 0.965 561 N HN 0.277 nan 8.380 nan 0.000 0.438 562 L N -0.893 120.319 121.223 -0.017 0.000 2.640 562 L HA 0.256 4.635 4.340 0.064 0.000 0.230 562 L C 0.952 177.807 176.870 -0.023 0.000 1.123 562 L CA -0.073 54.747 54.840 -0.032 0.000 0.900 562 L CB 0.047 42.072 42.059 -0.058 0.000 1.146 562 L HN 0.067 nan 8.230 nan 0.000 0.484 563 G N 1.540 110.332 108.800 -0.013 0.000 2.221 563 G HA2 -0.281 3.718 3.960 0.064 0.000 0.265 563 G HA3 -0.281 3.718 3.960 0.064 0.000 0.265 563 G C 0.064 174.956 174.900 -0.013 0.000 1.041 563 G CA 0.081 45.175 45.100 -0.009 0.000 0.807 563 G HN 0.313 nan 8.290 nan 0.000 0.502 564 I N -0.237 120.321 120.570 -0.021 0.000 2.437 564 I HA 0.457 4.666 4.170 0.064 0.000 0.298 564 I C 0.376 176.479 176.117 -0.023 0.000 0.984 564 I CA -0.688 60.598 61.300 -0.023 0.000 1.214 564 I CB 1.839 39.818 38.000 -0.035 0.000 1.365 564 I HN 0.141 nan 8.210 nan 0.000 0.469 565 E N 5.880 126.068 120.200 -0.020 0.000 2.158 565 E HA 0.412 4.801 4.350 0.064 0.000 0.271 565 E C -1.014 175.570 176.600 -0.026 0.000 0.911 565 E CA -0.759 55.628 56.400 -0.021 0.000 0.767 565 E CB 1.428 31.119 29.700 -0.014 0.000 1.120 565 E HN 0.465 nan 8.360 nan 0.000 0.405 566 L N 3.566 124.768 121.223 -0.035 0.000 2.490 566 L HA 0.060 4.439 4.340 0.064 0.000 0.274 566 L C 1.093 177.943 176.870 -0.034 0.000 1.201 566 L CA 0.060 54.875 54.840 -0.042 0.000 0.869 566 L CB 0.178 42.204 42.059 -0.056 0.000 1.123 566 L HN 0.678 nan 8.230 nan 0.000 0.484 567 T N -1.922 112.612 114.554 -0.033 0.000 2.813 567 T HA 0.032 4.420 4.350 0.064 0.000 0.297 567 T C 0.833 175.512 174.700 -0.035 0.000 1.036 567 T CA -0.788 61.295 62.100 -0.028 0.000 1.044 567 T CB 1.022 69.877 68.868 -0.022 0.000 0.993 567 T HN 0.509 nan 8.240 nan 0.000 0.535 568 D N 0.827 121.210 120.400 -0.028 0.000 2.116 568 D HA -0.102 4.577 4.640 0.064 0.000 0.193 568 D C 1.699 177.975 176.300 -0.040 0.000 0.998 568 D CA 1.393 55.374 54.000 -0.031 0.000 0.836 568 D CB -0.403 40.384 40.800 -0.023 0.000 0.951 568 D HN 0.644 nan 8.370 nan 0.000 0.449 569 D N 0.474 120.852 120.400 -0.037 0.000 2.133 569 D HA -0.151 4.527 4.640 0.064 0.000 0.195 569 D C 2.137 178.392 176.300 -0.076 0.000 0.997 569 D CA 0.899 54.871 54.000 -0.046 0.000 0.840 569 D CB -0.299 40.482 40.800 -0.031 0.000 0.947 569 D HN 0.356 nan 8.370 nan 0.000 0.452 570 Q N -0.295 119.459 119.800 -0.077 0.000 2.124 570 Q HA -0.043 4.336 4.340 0.064 0.000 0.202 570 Q C 2.403 178.328 176.000 -0.125 0.000 0.977 570 Q CA 0.596 56.330 55.803 -0.116 0.000 0.850 570 Q CB -0.096 28.587 28.738 -0.091 0.000 0.901 570 Q HN 0.322 nan 8.270 nan 0.000 0.429 571 L N 0.819 121.989 121.223 -0.088 0.000 2.265 571 L HA -0.158 4.221 4.340 0.064 0.000 0.215 571 L C 1.353 178.174 176.870 -0.082 0.000 1.117 571 L CA 0.564 55.357 54.840 -0.079 0.000 0.782 571 L CB -0.190 41.836 42.059 -0.055 0.000 0.914 571 L HN 0.237 nan 8.230 nan 0.000 0.441 572 N N -0.149 118.501 118.700 -0.084 0.000 2.280 572 N HA 0.202 4.981 4.740 0.064 0.000 0.192 572 N C 0.383 175.833 175.510 -0.100 0.000 1.109 572 N CA 0.104 53.108 53.050 -0.076 0.000 0.855 572 N CB 0.439 38.894 38.487 -0.054 0.000 0.974 572 N HN 0.250 nan 8.380 nan 0.000 0.482 573 I N 1.930 122.405 120.570 -0.157 0.000 2.587 573 I HA -0.057 4.152 4.170 0.064 0.000 0.284 573 I C 0.415 176.439 176.117 -0.156 0.000 1.134 573 I CA 0.314 61.487 61.300 -0.212 0.000 1.410 573 I CB 0.150 37.891 38.000 -0.430 0.000 1.392 573 I HN -0.171 nan 8.210 nan 0.000 0.545 574 T N 8.181 122.673 114.554 -0.103 0.000 2.867 574 T HA 0.103 4.492 4.350 0.064 0.000 0.297 574 T C -2.001 172.661 174.700 -0.062 0.000 0.989 574 T CA -0.716 61.349 62.100 -0.059 0.000 1.159 574 T CB -0.109 68.745 68.868 -0.023 0.000 0.928 574 T HN 0.378 nan 8.240 nan 0.000 0.538 575 P HA 0.159 nan 4.420 nan 0.000 0.267 575 P C -2.135 175.178 177.300 0.022 0.000 1.200 575 P CA -1.158 61.928 63.100 -0.024 0.000 0.772 575 P CB -0.281 31.417 31.700 -0.003 0.000 0.855 576 P HA 0.195 nan 4.420 nan 0.000 0.271 576 P C -2.545 174.811 177.300 0.093 0.000 1.233 576 P CA -1.241 61.927 63.100 0.114 0.000 0.789 576 P CB -0.804 31.016 31.700 0.200 0.000 0.951 577 P HA 0.132 nan 4.420 nan 0.000 0.272 577 P C -0.250 177.100 177.300 0.084 0.000 1.230 577 P CA 0.084 63.232 63.100 0.080 0.000 0.788 577 P CB 0.135 31.885 31.700 0.082 0.000 0.949 578 D N 0.018 120.459 120.400 0.068 0.000 2.419 578 D HA 0.012 4.691 4.640 0.064 0.000 0.236 578 D C -0.129 176.217 176.300 0.075 0.000 1.165 578 D CA 0.250 54.286 54.000 0.060 0.000 0.882 578 D CB 0.314 41.145 40.800 0.051 0.000 1.201 578 D HN -0.045 nan 8.370 nan 0.000 0.443 579 V N 3.239 123.186 119.914 0.056 0.000 2.372 579 V HA 0.025 4.183 4.120 0.064 0.000 0.261 579 V C 0.365 176.545 176.094 0.144 0.000 1.055 579 V CA -0.383 61.973 62.300 0.093 0.000 0.930 579 V CB -0.447 31.334 31.823 -0.070 0.000 1.031 579 V HN 0.610 nan 8.190 nan 0.000 0.479 580 N N 4.691 123.495 118.700 0.174 0.000 2.702 580 N HA -0.239 4.540 4.740 0.064 0.000 0.255 580 N C 1.178 176.746 175.510 0.097 0.000 0.983 580 N CA 1.019 54.152 53.050 0.140 0.000 0.768 580 N CB -0.826 37.779 38.487 0.197 0.000 0.918 580 N HN 1.248 nan 8.380 nan 0.000 0.540 581 G N -2.049 106.795 108.800 0.074 0.000 2.199 581 G HA2 -0.322 3.676 3.960 0.064 0.000 0.254 581 G HA3 -0.322 3.676 3.960 0.064 0.000 0.254 581 G C 0.129 175.058 174.900 0.047 0.000 0.982 581 G CA 0.263 45.395 45.100 0.053 0.000 0.632 581 G HN 0.395 nan 8.290 nan 0.000 0.529 582 L N 0.586 121.840 121.223 0.052 0.000 2.349 582 L HA 0.395 4.774 4.340 0.064 0.000 0.275 582 L C 1.588 178.472 176.870 0.022 0.000 1.115 582 L CA -0.567 54.294 54.840 0.035 0.000 0.820 582 L CB 0.994 43.074 42.059 0.034 0.000 1.135 582 L HN -0.060 nan 8.230 nan 0.000 0.445 583 K N 2.787 123.194 120.400 0.013 0.000 2.379 583 K HA 0.111 4.470 4.320 0.064 0.000 0.194 583 K C -0.158 176.434 176.600 -0.013 0.000 1.031 583 K CA 0.347 56.637 56.287 0.005 0.000 1.037 583 K CB 0.413 32.913 32.500 0.001 0.000 0.824 583 K HN 0.670 nan 8.250 nan 0.000 0.516 584 K N -0.556 119.833 120.400 -0.018 0.000 3.040 584 K HA 0.190 4.549 4.320 0.064 0.000 0.300 584 K C -2.149 174.433 176.600 -0.030 0.000 1.092 584 K CA -0.861 55.399 56.287 -0.044 0.000 0.831 584 K CB 0.844 33.298 32.500 -0.078 0.000 1.469 584 K HN -0.228 nan 8.250 nan 0.000 0.365 585 D N 1.047 121.422 120.400 -0.041 0.000 2.616 585 D HA 0.329 5.007 4.640 0.064 0.000 0.238 585 D C -2.310 173.972 176.300 -0.030 0.000 1.354 585 D CA -1.907 52.088 54.000 -0.009 0.000 0.970 585 D CB 2.288 43.105 40.800 0.028 0.000 1.369 585 D HN 0.264 nan 8.370 nan 0.000 0.585 586 P HA -0.051 nan 4.420 nan 0.000 0.226 586 P C 1.199 178.488 177.300 -0.018 0.000 1.153 586 P CA 0.662 63.730 63.100 -0.052 0.000 0.777 586 P CB 0.240 31.920 31.700 -0.033 0.000 0.794 587 S N -1.171 114.552 115.700 0.039 0.000 2.547 587 S HA -0.027 4.482 4.470 0.064 0.000 0.235 587 S C 1.569 176.250 174.600 0.134 0.000 0.980 587 S CA 0.674 58.934 58.200 0.100 0.000 0.941 587 S CB -1.256 62.035 63.200 0.151 0.000 0.763 587 S HN 0.153 nan 8.310 nan 0.000 0.532 588 L N 1.142 122.398 121.223 0.055 0.000 2.558 588 L HA 0.236 4.614 4.340 0.064 0.000 0.225 588 L C 1.316 178.061 176.870 -0.209 0.000 1.128 588 L CA 0.036 54.893 54.840 0.029 0.000 0.868 588 L CB -0.103 41.950 42.059 -0.010 0.000 1.006 588 L HN 0.332 nan 8.230 nan 0.000 0.454 589 S N -0.417 115.160 115.700 -0.206 0.000 2.554 589 S HA 0.317 4.826 4.470 0.064 0.000 0.278 589 S C 1.050 175.518 174.600 -0.220 0.000 1.242 589 S CA -0.641 57.375 58.200 -0.305 0.000 1.051 589 S CB 1.414 64.441 63.200 -0.288 0.000 0.986 589 S HN 0.168 nan 8.310 nan 0.000 0.502 590 L N 3.340 124.347 121.223 -0.360 0.000 2.156 590 L HA 0.006 4.385 4.340 0.064 0.000 0.208 590 L C 0.855 177.445 176.870 -0.467 0.000 1.095 590 L CA 1.141 55.680 54.840 -0.501 0.000 0.770 590 L CB -0.274 41.189 42.059 -0.992 0.000 0.914 590 L HN 0.758 nan 8.230 nan 0.000 0.439 591 Y N -2.345 117.945 120.300 -0.017 0.000 2.423 591 Y HA 0.329 4.917 4.550 0.065 0.000 0.257 591 Y C 2.174 178.089 175.900 0.025 0.000 1.087 591 Y CA -0.214 57.924 58.100 0.063 0.000 1.258 591 Y CB -0.481 38.039 38.460 0.100 0.000 1.237 591 Y HN -0.052 nan 8.280 nan 0.000 0.517 592 A N 0.598 123.441 122.820 0.038 0.000 1.917 592 A HA -0.096 4.262 4.320 0.064 0.000 0.219 592 A C 0.919 178.536 177.584 0.055 0.000 1.182 592 A CA 1.249 53.284 52.037 -0.003 0.000 0.633 592 A CB -0.571 18.373 19.000 -0.094 0.000 0.819 592 A HN 0.151 nan 8.150 nan 0.000 0.448 593 I N 0.643 121.253 120.570 0.066 0.000 2.328 593 I HA 0.281 4.490 4.170 0.064 0.000 0.287 593 I C -2.631 173.556 176.117 0.117 0.000 1.012 593 I CA -2.710 58.637 61.300 0.078 0.000 1.195 593 I CB 0.512 38.548 38.000 0.060 0.000 1.350 593 I HN -0.018 nan 8.210 nan 0.000 0.464 594 P HA 0.068 nan 4.420 nan 0.000 0.262 594 P C -0.107 177.269 177.300 0.126 0.000 1.182 594 P CA 0.352 63.543 63.100 0.151 0.000 0.761 594 P CB 0.477 32.250 31.700 0.123 0.000 0.795 595 D N 1.275 121.760 120.400 0.142 0.000 2.914 595 D HA 0.116 4.794 4.640 0.064 0.000 0.349 595 D C 0.347 176.710 176.300 0.105 0.000 1.540 595 D CA -0.465 53.601 54.000 0.110 0.000 0.778 595 D CB -0.434 40.428 40.800 0.104 0.000 1.213 595 D HN 0.313 nan 8.370 nan 0.000 0.451 596 G N 0.096 108.963 108.800 0.112 0.000 2.491 596 G HA2 0.373 4.372 3.960 0.064 0.000 0.242 596 G HA3 0.373 4.372 3.960 0.064 0.000 0.242 596 G C -0.679 174.259 174.900 0.062 0.000 1.266 596 G CA -0.098 45.061 45.100 0.099 0.000 0.844 596 G HN 0.188 nan 8.290 nan 0.000 0.571 597 D N 0.731 121.160 120.400 0.048 0.000 2.602 597 D HA 0.159 4.838 4.640 0.064 0.000 0.245 597 D C 0.990 177.301 176.300 0.018 0.000 1.325 597 D CA -0.579 53.436 54.000 0.025 0.000 0.952 597 D CB 1.658 42.466 40.800 0.014 0.000 1.317 597 D HN 0.290 nan 8.370 nan 0.000 0.577 598 V N 1.924 121.843 119.914 0.008 0.000 3.306 598 V HA 0.185 4.343 4.120 0.064 0.000 0.264 598 V C 1.046 177.122 176.094 -0.030 0.000 1.149 598 V CA 0.262 62.562 62.300 -0.000 0.000 1.143 598 V CB -0.775 31.043 31.823 -0.008 0.000 0.767 598 V HN 0.403 nan 8.190 nan 0.000 0.476 599 K N 1.265 121.640 120.400 -0.042 0.000 2.447 599 K HA 0.392 4.750 4.320 0.064 0.000 0.281 599 K C 1.225 177.781 176.600 -0.073 0.000 1.031 599 K CA 1.028 57.267 56.287 -0.080 0.000 1.019 599 K CB 0.110 32.570 32.500 -0.067 0.000 0.918 599 K HN 0.686 nan 8.250 nan 0.000 0.476 600 G N 3.192 111.912 108.800 -0.134 0.000 2.213 600 G HA2 -0.207 3.792 3.960 0.064 0.000 0.236 600 G HA3 -0.207 3.792 3.960 0.064 0.000 0.236 600 G C 0.104 175.047 174.900 0.072 0.000 0.991 600 G CA -0.279 44.820 45.100 -0.002 0.000 0.629 600 G HN 0.564 nan 8.290 nan 0.000 0.517 601 R N -0.155 120.355 120.500 0.017 0.000 2.738 601 R HA 0.676 5.055 4.340 0.064 0.000 0.275 601 R C 0.052 176.408 176.300 0.093 0.000 1.121 601 R CA 0.004 56.146 56.100 0.070 0.000 1.207 601 R CB 0.848 31.181 30.300 0.056 0.000 1.141 601 R HN 0.694 nan 8.270 nan 0.000 0.571 602 V N 0.408 120.396 119.914 0.124 0.000 2.888 602 V HA 0.398 4.556 4.120 0.064 0.000 0.309 602 V C -1.030 175.131 176.094 0.111 0.000 1.114 602 V CA -0.758 61.629 62.300 0.145 0.000 0.940 602 V CB 2.458 34.395 31.823 0.190 0.000 1.021 602 V HN 0.356 nan 8.190 nan 0.000 0.426 603 V N 5.754 125.726 119.914 0.097 0.000 2.483 603 V HA 0.803 4.961 4.120 0.064 0.000 0.295 603 V C 0.612 176.761 176.094 0.093 0.000 1.035 603 V CA -0.081 62.266 62.300 0.079 0.000 0.896 603 V CB 1.659 33.514 31.823 0.053 0.000 0.986 603 V HN 1.177 nan 8.190 nan 0.000 0.447 604 A N 5.778 128.659 122.820 0.102 0.000 2.331 604 A HA 0.765 5.123 4.320 0.064 0.000 0.283 604 A C -0.440 177.153 177.584 0.016 0.000 1.142 604 A CA -0.287 51.794 52.037 0.072 0.000 0.812 604 A CB 0.142 19.196 19.000 0.090 0.000 1.074 604 A HN 0.761 nan 8.150 nan 0.000 0.497 605 I N 3.264 123.838 120.570 0.008 0.000 2.382 605 I HA 0.201 4.409 4.170 0.064 0.000 0.285 605 I C -0.702 175.420 176.117 0.008 0.000 1.007 605 I CA -0.202 61.103 61.300 0.009 0.000 1.142 605 I CB 1.379 39.398 38.000 0.033 0.000 1.289 605 I HN 0.487 nan 8.210 nan 0.000 0.453 606 L N 7.186 128.396 121.223 -0.021 0.000 2.295 606 L HA 0.398 4.776 4.340 0.064 0.000 0.288 606 L C 0.090 177.057 176.870 0.161 0.000 1.079 606 L CA -0.349 54.528 54.840 0.062 0.000 0.830 606 L CB 0.296 42.243 42.059 -0.186 0.000 1.200 606 L HN 0.437 nan 8.230 nan 0.000 0.438 607 L N 3.576 124.951 121.223 0.252 0.000 2.466 607 L HA 0.262 4.641 4.340 0.064 0.000 0.257 607 L C 0.176 177.246 176.870 0.335 0.000 1.189 607 L CA -0.341 54.611 54.840 0.186 0.000 0.813 607 L CB 0.852 42.929 42.059 0.030 0.000 1.118 607 L HN 0.702 nan 8.230 nan 0.000 0.471 608 N N -2.017 116.782 118.700 0.165 0.000 2.469 608 N HA 0.225 5.003 4.740 0.064 0.000 0.286 608 N C -0.287 175.213 175.510 -0.016 0.000 1.275 608 N CA -0.787 52.402 53.050 0.232 0.000 0.790 608 N CB 0.822 39.425 38.487 0.195 0.000 1.446 608 N HN 0.532 nan 8.380 nan 0.000 0.501 609 D N -1.789 118.633 120.400 0.037 0.000 2.378 609 D HA -0.062 4.617 4.640 0.064 0.000 0.227 609 D C -0.308 175.956 176.300 -0.060 0.000 1.012 609 D CA 0.774 54.720 54.000 -0.089 0.000 0.905 609 D CB -0.042 40.779 40.800 0.034 0.000 0.895 609 D HN 0.737 nan 8.370 nan 0.000 0.532 610 E N 0.315 120.501 120.200 -0.024 0.000 3.626 610 E HA 0.245 4.633 4.350 0.064 0.000 0.245 610 E C -1.220 175.370 176.600 -0.018 0.000 1.236 610 E CA -0.435 55.950 56.400 -0.024 0.000 1.072 610 E CB 0.726 30.420 29.700 -0.009 0.000 1.309 610 E HN -0.114 nan 8.360 nan 0.000 0.400 611 V N 2.106 122.001 119.914 -0.032 0.000 2.763 611 V HA 0.029 4.188 4.120 0.064 0.000 0.306 611 V C 0.882 176.963 176.094 -0.022 0.000 1.059 611 V CA 0.275 62.563 62.300 -0.020 0.000 1.138 611 V CB 0.858 32.664 31.823 -0.028 0.000 0.940 611 V HN 0.510 nan 8.190 nan 0.000 0.489 612 R N 2.996 123.484 120.500 -0.020 0.000 2.291 612 R HA 0.086 4.465 4.340 0.064 0.000 0.333 612 R C 1.494 177.775 176.300 -0.033 0.000 1.082 612 R CA 0.460 56.543 56.100 -0.028 0.000 0.948 612 R CB 0.488 30.767 30.300 -0.036 0.000 1.009 612 R HN 0.999 nan 8.270 nan 0.000 0.460 613 S N 3.286 118.968 115.700 -0.030 0.000 2.423 613 S HA -0.163 4.345 4.470 0.064 0.000 0.231 613 S C 1.951 176.533 174.600 -0.030 0.000 1.014 613 S CA 0.787 58.970 58.200 -0.028 0.000 0.965 613 S CB 0.004 63.189 63.200 -0.025 0.000 0.785 613 S HN 0.674 nan 8.310 nan 0.000 0.495 614 A N 2.306 125.105 122.820 -0.035 0.000 1.902 614 A HA -0.127 4.232 4.320 0.064 0.000 0.217 614 A C 1.990 179.541 177.584 -0.054 0.000 1.181 614 A CA 1.751 53.764 52.037 -0.040 0.000 0.623 614 A CB -0.888 18.087 19.000 -0.042 0.000 0.818 614 A HN 0.479 nan 8.150 nan 0.000 0.443 615 D N -0.558 119.800 120.400 -0.069 0.000 2.097 615 D HA -0.116 4.563 4.640 0.064 0.000 0.195 615 D C 1.845 178.108 176.300 -0.060 0.000 0.989 615 D CA 1.197 55.138 54.000 -0.099 0.000 0.827 615 D CB -0.400 40.331 40.800 -0.116 0.000 0.966 615 D HN 0.305 nan 8.370 nan 0.000 0.456 616 L N 0.355 121.557 121.223 -0.036 0.000 2.083 616 L HA -0.102 4.277 4.340 0.064 0.000 0.209 616 L C 2.081 178.946 176.870 -0.009 0.000 1.083 616 L CA 1.106 55.938 54.840 -0.014 0.000 0.752 616 L CB -0.564 41.487 42.059 -0.013 0.000 0.899 616 L HN -0.017 nan 8.230 nan 0.000 0.433 617 L N -0.355 120.858 121.223 -0.016 0.000 2.012 617 L HA -0.186 4.192 4.340 0.064 0.000 0.210 617 L C 2.572 179.439 176.870 -0.005 0.000 1.073 617 L CA 2.183 57.017 54.840 -0.010 0.000 0.748 617 L CB -1.171 40.879 42.059 -0.015 0.000 0.891 617 L HN 0.343 nan 8.230 nan 0.000 0.431 618 A N -1.088 121.724 122.820 -0.013 0.000 1.929 618 A HA -0.109 4.250 4.320 0.064 0.000 0.216 618 A C 2.268 179.865 177.584 0.022 0.000 1.176 618 A CA 1.452 53.487 52.037 -0.003 0.000 0.628 618 A CB -0.635 18.352 19.000 -0.022 0.000 0.816 618 A HN 0.409 nan 8.150 nan 0.000 0.444 619 I N -0.178 120.408 120.570 0.026 0.000 2.113 619 I HA -0.273 3.936 4.170 0.064 0.000 0.238 619 I C 2.355 178.499 176.117 0.045 0.000 1.070 619 I CA 1.314 62.651 61.300 0.063 0.000 1.332 619 I CB -0.375 37.665 38.000 0.068 0.000 1.044 619 I HN 0.275 nan 8.210 nan 0.000 0.402 620 L N 0.505 121.746 121.223 0.029 0.000 2.083 620 L HA -0.226 4.153 4.340 0.064 0.000 0.209 620 L C 2.614 179.495 176.870 0.019 0.000 1.083 620 L CA 1.348 56.203 54.840 0.025 0.000 0.752 620 L CB -0.631 41.441 42.059 0.020 0.000 0.899 620 L HN 0.268 nan 8.230 nan 0.000 0.433 621 K N 0.644 121.054 120.400 0.016 0.000 2.026 621 K HA -0.180 4.178 4.320 0.064 0.000 0.208 621 K C 2.152 178.760 176.600 0.013 0.000 1.048 621 K CA 1.454 57.748 56.287 0.012 0.000 0.929 621 K CB -0.085 32.420 32.500 0.010 0.000 0.713 621 K HN 0.241 nan 8.250 nan 0.000 0.439 622 A N 1.205 124.038 122.820 0.022 0.000 1.929 622 A HA -0.050 4.308 4.320 0.064 0.000 0.216 622 A C 2.114 179.703 177.584 0.009 0.000 1.176 622 A CA 1.014 53.064 52.037 0.021 0.000 0.628 622 A CB -0.523 18.501 19.000 0.040 0.000 0.816 622 A HN 0.315 nan 8.150 nan 0.000 0.444 623 L N -0.512 120.718 121.223 0.011 0.000 2.046 623 L HA -0.220 4.159 4.340 0.064 0.000 0.208 623 L C 2.661 179.512 176.870 -0.031 0.000 1.077 623 L CA 2.055 56.889 54.840 -0.009 0.000 0.747 623 L CB -0.483 41.580 42.059 0.005 0.000 0.896 623 L HN 0.497 nan 8.230 nan 0.000 0.432 624 K N 0.574 120.964 120.400 -0.016 0.000 2.057 624 K HA -0.175 4.183 4.320 0.064 0.000 0.207 624 K C 2.088 178.671 176.600 -0.028 0.000 1.049 624 K CA 1.326 57.600 56.287 -0.021 0.000 0.931 624 K CB -0.097 32.402 32.500 -0.001 0.000 0.714 624 K HN 0.250 nan 8.250 nan 0.000 0.440 625 A N 0.981 123.791 122.820 -0.017 0.000 2.076 625 A HA -0.112 4.246 4.320 0.064 0.000 0.220 625 A C 1.533 179.102 177.584 -0.026 0.000 1.160 625 A CA 1.351 53.379 52.037 -0.016 0.000 0.653 625 A CB -0.097 18.900 19.000 -0.006 0.000 0.801 625 A HN 0.186 nan 8.150 nan 0.000 0.455 626 K N -1.658 118.720 120.400 -0.038 0.000 2.387 626 K HA 0.224 4.583 4.320 0.064 0.000 0.203 626 K C 0.852 177.404 176.600 -0.081 0.000 1.030 626 K CA 0.585 56.844 56.287 -0.046 0.000 1.099 626 K CB 0.275 32.753 32.500 -0.036 0.000 0.863 626 K HN 0.680 nan 8.250 nan 0.000 0.529 627 G N 1.765 110.500 108.800 -0.109 0.000 2.198 627 G HA2 -0.228 3.771 3.960 0.064 0.000 0.257 627 G HA3 -0.228 3.771 3.960 0.064 0.000 0.257 627 G C 0.024 174.721 174.900 -0.337 0.000 1.042 627 G CA 0.228 45.215 45.100 -0.187 0.000 0.791 627 G HN 0.097 nan 8.290 nan 0.000 0.502 628 V N 2.477 122.235 119.914 -0.260 0.000 2.407 628 V HA 0.433 4.591 4.120 0.064 0.000 0.278 628 V C 0.733 176.673 176.094 -0.257 0.000 1.037 628 V CA -1.162 60.985 62.300 -0.255 0.000 0.900 628 V CB 1.113 32.877 31.823 -0.098 0.000 0.983 628 V HN 0.370 nan 8.190 nan 0.000 0.459 629 H N 2.643 121.725 119.070 0.021 0.000 2.508 629 H HA 0.751 5.346 4.556 0.064 0.000 0.358 629 H C 0.144 175.492 175.328 0.034 0.000 1.212 629 H CA -0.163 55.899 56.048 0.025 0.000 1.356 629 H CB 1.774 31.552 29.762 0.027 0.000 1.525 629 H HN 0.762 nan 8.280 nan 0.000 0.578 630 A N 1.521 124.445 122.820 0.174 0.000 2.386 630 A HA 0.519 4.878 4.320 0.064 0.000 0.311 630 A C -0.615 177.027 177.584 0.096 0.000 1.068 630 A CA -0.942 51.160 52.037 0.109 0.000 0.743 630 A CB 1.309 20.355 19.000 0.076 0.000 1.258 630 A HN 0.746 nan 8.150 nan 0.000 0.429 631 K N 2.478 122.929 120.400 0.085 0.000 2.376 631 K HA 0.689 5.048 4.320 0.064 0.000 0.257 631 K C -1.522 175.109 176.600 0.052 0.000 0.939 631 K CA -0.512 55.816 56.287 0.069 0.000 0.809 631 K CB 1.394 33.945 32.500 0.084 0.000 1.121 631 K HN 0.520 nan 8.250 nan 0.000 0.425 632 L N 5.045 126.290 121.223 0.036 0.000 2.278 632 L HA 0.384 4.762 4.340 0.064 0.000 0.287 632 L C -0.425 176.457 176.870 0.020 0.000 1.072 632 L CA -0.779 54.076 54.840 0.025 0.000 0.819 632 L CB 0.276 42.340 42.059 0.009 0.000 1.176 632 L HN 0.516 nan 8.230 nan 0.000 0.435 633 L N 3.667 124.910 121.223 0.034 0.000 2.334 633 L HA 0.613 4.991 4.340 0.064 0.000 0.273 633 L C -0.828 176.013 176.870 -0.049 0.000 1.013 633 L CA -0.739 54.096 54.840 -0.008 0.000 0.816 633 L CB 1.993 44.075 42.059 0.039 0.000 1.278 633 L HN 0.427 nan 8.230 nan 0.000 0.431 634 Y N -0.482 119.440 120.300 -0.630 0.000 2.900 634 Y HA 0.178 4.766 4.550 0.064 0.000 0.318 634 Y C 0.751 175.865 175.900 -1.310 0.000 1.457 634 Y CA -0.623 56.970 58.100 -0.845 0.000 1.082 634 Y CB 1.506 39.778 38.460 -0.313 0.000 1.419 634 Y HN 0.545 nan 8.280 nan 0.000 0.459 635 S N 0.624 115.404 115.700 -1.534 0.000 2.558 635 S HA 0.259 4.767 4.470 0.064 0.000 0.217 635 S C 0.071 174.379 174.600 -0.487 0.000 0.975 635 S CA 0.382 58.029 58.200 -0.921 0.000 0.912 635 S CB -0.152 62.653 63.200 -0.659 0.000 0.776 635 S HN 0.619 nan 8.310 nan 0.000 0.526 636 R N -1.266 119.033 120.500 -0.335 0.000 2.781 636 R HA 0.647 5.025 4.340 0.064 0.000 0.268 636 R C -0.870 175.424 176.300 -0.011 0.000 1.047 636 R CA -1.133 54.904 56.100 -0.105 0.000 0.925 636 R CB 0.473 30.757 30.300 -0.027 0.000 1.246 636 R HN -0.061 nan 8.270 nan 0.000 0.456 637 M N -0.141 119.458 119.600 -0.002 0.000 2.336 637 M HA 0.570 5.089 4.480 0.064 0.000 0.256 637 M C 0.886 177.202 176.300 0.026 0.000 1.176 637 M CA 0.612 55.917 55.300 0.009 0.000 0.948 637 M CB 0.679 33.276 32.600 -0.005 0.000 1.393 637 M HN 1.050 nan 8.290 nan 0.000 0.528 638 G N 0.891 109.697 108.800 0.009 0.000 2.601 638 G HA2 -0.121 3.878 3.960 0.064 0.000 0.224 638 G HA3 -0.121 3.878 3.960 0.064 0.000 0.224 638 G C -0.933 173.957 174.900 -0.015 0.000 1.171 638 G CA -0.518 44.583 45.100 0.002 0.000 1.009 638 G HN 0.625 nan 8.290 nan 0.000 0.589 639 E N -0.959 119.223 120.200 -0.030 0.000 2.369 639 E HA 0.630 5.019 4.350 0.064 0.000 0.270 639 E C -0.401 176.128 176.600 -0.119 0.000 0.909 639 E CA -0.523 55.838 56.400 -0.065 0.000 0.775 639 E CB 2.954 32.625 29.700 -0.048 0.000 1.270 639 E HN 1.240 nan 8.360 nan 0.000 0.445 640 V N -1.826 117.982 119.914 -0.177 0.000 3.001 640 V HA 0.717 4.876 4.120 0.064 0.000 0.314 640 V C -0.493 175.514 176.094 -0.144 0.000 1.099 640 V CA -0.692 61.473 62.300 -0.225 0.000 0.989 640 V CB 1.957 33.511 31.823 -0.448 0.000 1.040 640 V HN 0.619 nan 8.190 nan 0.000 0.434 641 T N 2.545 117.030 114.554 -0.115 0.000 2.794 641 T HA 0.783 5.172 4.350 0.064 0.000 0.280 641 T C 0.364 175.021 174.700 -0.072 0.000 0.987 641 T CA 0.307 62.361 62.100 -0.076 0.000 0.993 641 T CB 1.413 70.249 68.868 -0.053 0.000 0.939 641 T HN 1.353 nan 8.240 nan 0.000 0.449 642 A N 2.228 125.013 122.820 -0.059 0.000 2.292 642 A HA 0.344 4.703 4.320 0.064 0.000 0.265 642 A C 1.561 179.123 177.584 -0.036 0.000 1.133 642 A CA -0.262 51.746 52.037 -0.048 0.000 0.807 642 A CB 0.010 18.986 19.000 -0.040 0.000 1.102 642 A HN 0.902 nan 8.150 nan 0.000 0.502 643 D N -0.389 119.993 120.400 -0.029 0.000 2.218 643 D HA -0.172 4.506 4.640 0.064 0.000 0.204 643 D C 0.531 176.818 176.300 -0.021 0.000 0.976 643 D CA 1.477 55.464 54.000 -0.023 0.000 0.853 643 D CB -0.289 40.498 40.800 -0.020 0.000 0.939 643 D HN 0.573 nan 8.370 nan 0.000 0.481 644 D N -1.343 119.044 120.400 -0.022 0.000 2.388 644 D HA 0.209 4.887 4.640 0.064 0.000 0.221 644 D C 1.598 177.887 176.300 -0.019 0.000 1.133 644 D CA 0.257 54.245 54.000 -0.019 0.000 0.831 644 D CB -0.147 40.642 40.800 -0.018 0.000 0.962 644 D HN 0.329 nan 8.370 nan 0.000 0.502 645 G N 0.053 108.840 108.800 -0.022 0.000 2.179 645 G HA2 -0.290 3.708 3.960 0.064 0.000 0.260 645 G HA3 -0.290 3.708 3.960 0.064 0.000 0.260 645 G C 0.471 175.356 174.900 -0.024 0.000 0.977 645 G CA 0.366 45.453 45.100 -0.022 0.000 0.641 645 G HN 0.439 nan 8.290 nan 0.000 0.533 646 T N 1.613 116.152 114.554 -0.025 0.000 2.829 646 T HA 0.374 4.763 4.350 0.064 0.000 0.293 646 T C 0.800 175.480 174.700 -0.034 0.000 0.970 646 T CA 0.170 62.255 62.100 -0.026 0.000 1.168 646 T CB 1.632 70.486 68.868 -0.024 0.000 0.911 646 T HN 0.439 nan 8.240 nan 0.000 0.535 647 V N 6.426 126.322 119.914 -0.031 0.000 2.470 647 V HA 0.205 4.363 4.120 0.064 0.000 0.276 647 V C 0.387 176.456 176.094 -0.041 0.000 1.040 647 V CA -0.268 62.008 62.300 -0.038 0.000 1.008 647 V CB 0.335 32.140 31.823 -0.030 0.000 0.990 647 V HN 0.678 nan 8.190 nan 0.000 0.477 648 L N 8.492 129.680 121.223 -0.059 0.000 2.295 648 L HA 0.440 4.819 4.340 0.064 0.000 0.281 648 L C -2.294 174.541 176.870 -0.060 0.000 1.018 648 L CA -1.782 53.023 54.840 -0.058 0.000 0.841 648 L CB 1.749 43.762 42.059 -0.076 0.000 1.218 648 L HN 0.437 nan 8.230 nan 0.000 0.424 649 P HA 0.234 nan 4.420 nan 0.000 0.275 649 P C -0.533 176.750 177.300 -0.029 0.000 1.228 649 P CA -0.101 62.981 63.100 -0.030 0.000 0.786 649 P CB 1.165 32.855 31.700 -0.016 0.000 0.927 650 I N 1.748 122.303 120.570 -0.025 0.000 2.321 650 I HA 0.252 4.461 4.170 0.064 0.000 0.291 650 I C 1.509 177.622 176.117 -0.007 0.000 0.998 650 I CA -0.479 60.810 61.300 -0.018 0.000 1.227 650 I CB 1.532 39.528 38.000 -0.007 0.000 1.368 650 I HN 0.356 nan 8.210 nan 0.000 0.466 651 A N 5.287 128.107 122.820 0.000 0.000 1.929 651 A HA 0.488 4.846 4.320 0.064 0.000 0.216 651 A C 1.001 178.590 177.584 0.008 0.000 1.176 651 A CA 1.390 53.433 52.037 0.009 0.000 0.628 651 A CB -0.022 18.992 19.000 0.023 0.000 0.816 651 A HN 0.827 nan 8.150 nan 0.000 0.444 652 A N -2.304 120.515 122.820 -0.002 0.000 2.586 652 A HA 0.557 4.915 4.320 0.064 0.000 0.291 652 A C -0.060 177.488 177.584 -0.059 0.000 1.062 652 A CA 0.049 52.082 52.037 -0.006 0.000 0.666 652 A CB -0.289 18.733 19.000 0.037 0.000 1.281 652 A HN 0.795 nan 8.150 nan 0.000 0.421 653 T N -1.393 113.117 114.554 -0.074 0.000 2.816 653 T HA 0.553 4.942 4.350 0.064 0.000 0.282 653 T C 1.018 175.671 174.700 -0.078 0.000 0.993 653 T CA 0.101 62.084 62.100 -0.195 0.000 0.994 653 T CB 0.053 68.836 68.868 -0.142 0.000 1.025 653 T HN 0.502 nan 8.240 nan 0.000 0.529 654 F N 0.574 120.543 119.950 0.032 0.000 2.120 654 F HA -0.074 4.492 4.527 0.064 0.000 0.300 654 F C 2.938 178.869 175.800 0.218 0.000 1.095 654 F CA 1.115 59.184 58.000 0.115 0.000 1.249 654 F CB -0.659 38.387 39.000 0.077 0.000 0.995 654 F HN 0.703 nan 8.300 nan 0.000 0.480 655 A N 0.208 123.194 122.820 0.276 0.000 1.970 655 A HA 0.087 4.445 4.320 0.064 0.000 0.216 655 A C 2.414 180.073 177.584 0.124 0.000 1.170 655 A CA 1.251 53.397 52.037 0.180 0.000 0.645 655 A CB -1.354 17.709 19.000 0.106 0.000 0.816 655 A HN 0.385 nan 8.150 nan 0.000 0.447 656 G N -0.703 108.156 108.800 0.098 0.000 2.422 656 G HA2 0.257 4.256 3.960 0.064 0.000 0.218 656 G HA3 0.257 4.256 3.960 0.064 0.000 0.218 656 G C 0.667 175.622 174.900 0.092 0.000 1.140 656 G CA 0.991 46.131 45.100 0.068 0.000 0.775 656 G HN 1.063 nan 8.290 nan 0.000 0.545 657 A N 0.812 123.724 122.820 0.155 0.000 3.030 657 A HA 0.696 5.055 4.320 0.064 0.000 0.335 657 A C -2.661 175.082 177.584 0.265 0.000 1.089 657 A CA -1.157 50.984 52.037 0.174 0.000 0.807 657 A CB 1.321 20.422 19.000 0.168 0.000 1.099 657 A HN 0.083 nan 8.150 nan 0.000 0.474 658 P HA 0.050 nan 4.420 nan 0.000 0.271 658 P C 1.395 178.531 177.300 -0.274 0.000 1.233 658 P CA 0.297 63.352 63.100 -0.075 0.000 0.789 658 P CB 0.762 32.401 31.700 -0.102 0.000 0.951 659 S N 0.762 115.909 115.700 -0.921 0.000 2.440 659 S HA -0.164 4.345 4.470 0.064 0.000 0.238 659 S C 1.805 176.258 174.600 -0.246 0.000 1.010 659 S CA 1.132 58.952 58.200 -0.634 0.000 0.972 659 S CB -1.394 61.330 63.200 -0.793 0.000 0.774 659 S HN 0.345 nan 8.310 nan 0.000 0.501 660 L N 1.833 122.915 121.223 -0.235 0.000 2.089 660 L HA -0.122 4.256 4.340 0.064 0.000 0.213 660 L C 2.943 179.630 176.870 -0.305 0.000 1.079 660 L CA 1.742 56.435 54.840 -0.245 0.000 0.758 660 L CB -1.669 40.218 42.059 -0.287 0.000 0.891 660 L HN 0.639 nan 8.230 nan 0.000 0.433 661 T N -2.951 111.491 114.554 -0.185 0.000 3.129 661 T HA 0.239 4.627 4.350 0.064 0.000 0.251 661 T C 0.328 175.109 174.700 0.134 0.000 1.117 661 T CA 0.152 62.211 62.100 -0.069 0.000 1.034 661 T CB -0.489 68.446 68.868 0.112 0.000 0.968 661 T HN 0.185 nan 8.240 nan 0.000 0.526 662 V N -2.987 116.971 119.914 0.074 0.000 3.126 662 V HA 0.572 4.731 4.120 0.064 0.000 0.314 662 V C -0.155 175.984 176.094 0.074 0.000 1.138 662 V CA -0.989 61.386 62.300 0.124 0.000 1.034 662 V CB 2.148 34.063 31.823 0.154 0.000 1.075 662 V HN -0.018 nan 8.190 nan 0.000 0.442 663 D N 0.989 121.436 120.400 0.078 0.000 2.346 663 D HA 0.493 5.171 4.640 0.064 0.000 0.206 663 D C 0.568 176.853 176.300 -0.026 0.000 1.001 663 D CA 1.552 55.572 54.000 0.034 0.000 0.871 663 D CB 1.454 42.297 40.800 0.073 0.000 0.943 663 D HN 1.018 nan 8.370 nan 0.000 0.518 664 A N -0.029 122.791 122.820 0.001 0.000 2.586 664 A HA 0.517 4.876 4.320 0.064 0.000 0.291 664 A C -1.633 175.966 177.584 0.024 0.000 1.062 664 A CA -0.568 51.456 52.037 -0.023 0.000 0.666 664 A CB 1.355 20.329 19.000 -0.043 0.000 1.281 664 A HN -0.109 nan 8.150 nan 0.000 0.421 665 V N 0.994 120.915 119.914 0.011 0.000 2.709 665 V HA 0.623 4.782 4.120 0.064 0.000 0.308 665 V C -0.717 175.376 176.094 -0.002 0.000 1.062 665 V CA -0.236 62.082 62.300 0.030 0.000 0.901 665 V CB 1.607 33.467 31.823 0.061 0.000 1.003 665 V HN 0.712 nan 8.190 nan 0.000 0.425 666 I N 3.915 124.490 120.570 0.008 0.000 2.545 666 I HA 0.581 4.790 4.170 0.064 0.000 0.292 666 I C -0.941 175.195 176.117 0.031 0.000 1.040 666 I CA -0.964 60.366 61.300 0.049 0.000 1.068 666 I CB 2.402 40.465 38.000 0.105 0.000 1.251 666 I HN 0.278 nan 8.210 nan 0.000 0.424 667 V N 7.197 127.148 119.914 0.061 0.000 2.349 667 V HA 0.367 4.525 4.120 0.064 0.000 0.284 667 V C -2.160 173.989 176.094 0.092 0.000 1.014 667 V CA -1.536 60.787 62.300 0.038 0.000 0.826 667 V CB 1.327 33.136 31.823 -0.024 0.000 1.009 667 V HN 0.554 nan 8.190 nan 0.000 0.431 668 P HA 0.407 nan 4.420 nan 0.000 0.276 668 P C -0.121 177.198 177.300 0.032 0.000 1.252 668 P CA -0.149 62.965 63.100 0.025 0.000 0.802 668 P CB 1.340 33.045 31.700 0.009 0.000 1.035 669 A N 0.549 123.363 122.820 -0.009 0.000 2.262 669 A HA 0.645 5.004 4.320 0.064 0.000 0.273 669 A C 0.856 178.447 177.584 0.012 0.000 1.202 669 A CA 0.719 52.757 52.037 0.003 0.000 0.811 669 A CB -1.047 17.935 19.000 -0.029 0.000 1.159 669 A HN 0.895 nan 8.150 nan 0.000 0.505 670 G N -0.710 108.097 108.800 0.011 0.000 2.250 670 G HA2 -0.001 3.998 3.960 0.064 0.000 0.196 670 G HA3 -0.001 3.998 3.960 0.064 0.000 0.196 670 G C -0.367 174.545 174.900 0.021 0.000 1.308 670 G CA 0.047 45.153 45.100 0.011 0.000 1.207 670 G HN 1.235 nan 8.290 nan 0.000 0.505 671 N N 1.862 120.580 118.700 0.031 0.000 2.819 671 N HA 0.227 5.005 4.740 0.064 0.000 0.284 671 N C 1.736 177.283 175.510 0.062 0.000 1.196 671 N CA -0.308 52.765 53.050 0.038 0.000 1.114 671 N CB -0.269 38.241 38.487 0.039 0.000 1.437 671 N HN 0.412 nan 8.380 nan 0.000 0.518 672 I N 1.080 121.675 120.570 0.043 0.000 2.394 672 I HA -0.196 4.012 4.170 0.064 0.000 0.251 672 I C 2.085 178.210 176.117 0.014 0.000 1.136 672 I CA 0.681 62.008 61.300 0.045 0.000 1.425 672 I CB -1.499 36.501 38.000 -0.000 0.000 1.079 672 I HN 0.479 nan 8.210 nan 0.000 0.425 673 A N 0.715 123.533 122.820 -0.004 0.000 1.997 673 A HA -0.314 4.045 4.320 0.064 0.000 0.221 673 A C 2.089 179.691 177.584 0.031 0.000 1.172 673 A CA 2.270 54.302 52.037 -0.009 0.000 0.645 673 A CB -0.823 18.173 19.000 -0.006 0.000 0.813 673 A HN 0.438 nan 8.150 nan 0.000 0.454 674 D N 0.236 120.681 120.400 0.074 0.000 2.133 674 D HA -0.175 4.504 4.640 0.064 0.000 0.195 674 D C 1.588 177.971 176.300 0.139 0.000 0.997 674 D CA 1.926 55.998 54.000 0.121 0.000 0.840 674 D CB -0.218 40.693 40.800 0.185 0.000 0.947 674 D HN 0.675 nan 8.370 nan 0.000 0.452 675 I N -3.929 116.742 120.570 0.168 0.000 4.139 675 I HA 0.465 4.673 4.170 0.064 0.000 0.335 675 I C 1.919 178.154 176.117 0.198 0.000 1.327 675 I CA 0.010 61.437 61.300 0.212 0.000 1.112 675 I CB 0.108 38.287 38.000 0.299 0.000 1.058 675 I HN -0.086 nan 8.210 nan 0.000 0.396 676 A N 1.696 124.537 122.820 0.034 0.000 1.940 676 A HA -0.184 4.175 4.320 0.064 0.000 0.219 676 A C 1.582 179.123 177.584 -0.072 0.000 1.176 676 A CA 2.140 54.056 52.037 -0.201 0.000 0.631 676 A CB -0.497 18.338 19.000 -0.275 0.000 0.814 676 A HN 0.521 nan 8.150 nan 0.000 0.446 677 D N -0.680 119.718 120.400 -0.003 0.000 2.402 677 D HA 0.036 4.714 4.640 0.064 0.000 0.216 677 D C -0.029 176.298 176.300 0.046 0.000 1.128 677 D CA -0.165 53.842 54.000 0.012 0.000 0.833 677 D CB -0.196 40.602 40.800 -0.002 0.000 0.971 677 D HN 0.350 nan 8.370 nan 0.000 0.503 678 N N 1.028 119.774 118.700 0.077 0.000 2.411 678 N HA 0.042 4.821 4.740 0.064 0.000 0.259 678 N C 1.353 176.907 175.510 0.074 0.000 1.103 678 N CA -0.002 53.095 53.050 0.079 0.000 0.954 678 N CB 1.520 40.072 38.487 0.108 0.000 1.085 678 N HN -0.005 nan 8.380 nan 0.000 0.485 679 G N 3.240 112.079 108.800 0.066 0.000 2.442 679 G HA2 -0.255 3.744 3.960 0.064 0.000 0.219 679 G HA3 -0.255 3.744 3.960 0.064 0.000 0.219 679 G C 0.954 175.911 174.900 0.094 0.000 1.141 679 G CA 0.546 45.686 45.100 0.067 0.000 0.763 679 G HN 0.589 nan 8.290 nan 0.000 0.554 680 D N 0.602 121.065 120.400 0.106 0.000 2.183 680 D HA 0.078 4.757 4.640 0.064 0.000 0.203 680 D C 2.765 179.084 176.300 0.032 0.000 0.969 680 D CA 1.014 55.111 54.000 0.162 0.000 0.842 680 D CB -0.266 40.696 40.800 0.271 0.000 0.957 680 D HN 0.300 nan 8.370 nan 0.000 0.484 681 A N 0.748 123.434 122.820 -0.223 0.000 1.897 681 A HA -0.136 4.222 4.320 0.064 0.000 0.215 681 A C 2.016 179.420 177.584 -0.300 0.000 1.181 681 A CA 0.998 52.652 52.037 -0.639 0.000 0.620 681 A CB -0.367 18.203 19.000 -0.717 0.000 0.821 681 A HN 0.133 nan 8.150 nan 0.000 0.443 682 N N -1.530 117.144 118.700 -0.043 0.000 2.142 682 N HA -0.164 4.615 4.740 0.064 0.000 0.186 682 N C 1.671 177.188 175.510 0.012 0.000 1.023 682 N CA 1.656 54.731 53.050 0.042 0.000 0.852 682 N CB -0.363 38.211 38.487 0.144 0.000 0.998 682 N HN 0.683 nan 8.380 nan 0.000 0.424 683 Y N 0.528 120.802 120.300 -0.044 0.000 2.242 683 Y HA -0.250 4.338 4.550 0.064 0.000 0.291 683 Y C 2.351 178.205 175.900 -0.077 0.000 1.137 683 Y CA 1.169 59.237 58.100 -0.053 0.000 1.181 683 Y CB -0.349 38.086 38.460 -0.041 0.000 0.989 683 Y HN 0.015 nan 8.280 nan 0.000 0.527 684 Y N 0.512 120.692 120.300 -0.200 0.000 2.102 684 Y HA -0.351 4.238 4.550 0.064 0.000 0.280 684 Y C 2.073 177.775 175.900 -0.331 0.000 1.178 684 Y CA 2.278 60.221 58.100 -0.260 0.000 1.146 684 Y CB -0.502 37.797 38.460 -0.269 0.000 0.968 684 Y HN 0.135 nan 8.280 nan 0.000 0.504 685 L N -1.169 119.986 121.223 -0.113 0.000 2.093 685 L HA -0.248 4.130 4.340 0.064 0.000 0.208 685 L C 2.417 179.166 176.870 -0.202 0.000 1.085 685 L CA 1.296 56.045 54.840 -0.152 0.000 0.755 685 L CB -0.524 41.411 42.059 -0.208 0.000 0.904 685 L HN 0.282 nan 8.230 nan 0.000 0.435 686 M N -0.589 118.831 119.600 -0.301 0.000 2.159 686 M HA -0.215 4.304 4.480 0.064 0.000 0.263 686 M C 2.261 178.283 176.300 -0.463 0.000 1.063 686 M CA 1.683 56.790 55.300 -0.323 0.000 1.110 686 M CB -0.360 32.051 32.600 -0.315 0.000 1.374 686 M HN 0.236 nan 8.290 nan 0.000 0.411 687 E N 0.600 120.335 120.200 -0.776 0.000 2.047 687 E HA -0.157 4.231 4.350 0.064 0.000 0.191 687 E C 2.014 178.234 176.600 -0.634 0.000 0.987 687 E CA 1.186 57.092 56.400 -0.823 0.000 0.799 687 E CB 0.044 29.220 29.700 -0.874 0.000 0.752 687 E HN 0.456 nan 8.360 nan 0.000 0.449 688 A N 0.348 122.919 122.820 -0.416 0.000 1.902 688 A HA -0.207 4.151 4.320 0.064 0.000 0.217 688 A C 2.035 179.505 177.584 -0.191 0.000 1.181 688 A CA 1.459 53.350 52.037 -0.244 0.000 0.623 688 A CB -0.891 18.026 19.000 -0.139 0.000 0.818 688 A HN 0.551 nan 8.150 nan 0.000 0.443 689 Y N 0.494 120.626 120.300 -0.279 0.000 2.145 689 Y HA -0.181 4.407 4.550 0.064 0.000 0.286 689 Y C 2.374 178.143 175.900 -0.219 0.000 1.145 689 Y CA 2.253 60.223 58.100 -0.217 0.000 1.148 689 Y CB -0.261 38.085 38.460 -0.189 0.000 0.981 689 Y HN 0.296 nan 8.280 nan 0.000 0.507 690 K N -0.650 119.617 120.400 -0.221 0.000 2.103 690 K HA -0.227 4.131 4.320 0.064 0.000 0.207 690 K C 1.001 177.473 176.600 -0.214 0.000 1.048 690 K CA 2.054 58.184 56.287 -0.261 0.000 0.930 690 K CB -0.401 31.880 32.500 -0.366 0.000 0.716 690 K HN 0.587 nan 8.250 nan 0.000 0.444 691 H N 0.019 118.957 119.070 -0.220 0.000 2.524 691 H HA 0.202 4.797 4.556 0.065 0.000 0.280 691 H C -0.096 175.060 175.328 -0.287 0.000 1.018 691 H CA 0.052 55.969 56.048 -0.219 0.000 1.165 691 H CB 0.218 29.851 29.762 -0.215 0.000 1.411 691 H HN 0.106 nan 8.280 nan 0.000 0.569 692 L N -0.036 121.029 121.223 -0.264 0.000 4.140 692 L HA -0.257 4.122 4.340 0.064 0.000 0.406 692 L C -0.416 176.185 176.870 -0.448 0.000 1.175 692 L CA 0.572 55.164 54.840 -0.413 0.000 0.939 692 L CB -1.708 40.079 42.059 -0.454 0.000 2.105 692 L HN 0.287 nan 8.230 nan 0.000 0.803 693 K N 0.741 120.945 120.400 -0.327 0.000 2.130 693 K HA 0.509 4.867 4.320 0.064 0.000 0.268 693 K C -2.181 174.279 176.600 -0.232 0.000 0.983 693 K CA -1.812 54.306 56.287 -0.282 0.000 0.893 693 K CB 0.914 33.302 32.500 -0.187 0.000 1.066 693 K HN -0.233 nan 8.250 nan 0.000 0.450 694 P HA 0.019 nan 4.420 nan 0.000 0.265 694 P C -0.824 176.407 177.300 -0.116 0.000 1.193 694 P CA 0.462 63.459 63.100 -0.172 0.000 0.765 694 P CB 0.418 32.018 31.700 -0.167 0.000 0.823 695 I N 1.824 122.337 120.570 -0.095 0.000 2.545 695 I HA 0.633 4.842 4.170 0.064 0.000 0.292 695 I C -0.335 175.724 176.117 -0.098 0.000 1.040 695 I CA -0.884 60.377 61.300 -0.065 0.000 1.068 695 I CB 2.293 40.280 38.000 -0.021 0.000 1.251 695 I HN 0.249 nan 8.210 nan 0.000 0.424 696 A N 7.374 130.139 122.820 -0.091 0.000 2.343 696 A HA 0.908 5.267 4.320 0.064 0.000 0.316 696 A C -1.143 176.511 177.584 0.116 0.000 1.104 696 A CA -0.433 51.516 52.037 -0.146 0.000 0.768 696 A CB 1.006 19.795 19.000 -0.351 0.000 1.213 696 A HN 0.656 nan 8.150 nan 0.000 0.456 697 L N 2.047 123.405 121.223 0.225 0.000 2.376 697 L HA 0.738 5.117 4.340 0.064 0.000 0.275 697 L C 0.164 177.249 176.870 0.358 0.000 0.987 697 L CA -0.559 54.437 54.840 0.261 0.000 0.828 697 L CB 2.052 44.212 42.059 0.168 0.000 1.249 697 L HN 0.782 nan 8.230 nan 0.000 0.409 698 A N 2.189 125.133 122.820 0.206 0.000 2.330 698 A HA 0.887 5.245 4.320 0.064 0.000 0.327 698 A C 0.572 178.154 177.584 -0.003 0.000 1.155 698 A CA 0.233 52.259 52.037 -0.019 0.000 0.803 698 A CB 1.246 20.060 19.000 -0.309 0.000 1.208 698 A HN 1.004 nan 8.150 nan 0.000 0.477 699 G N 1.723 110.508 108.800 -0.024 0.000 2.596 699 G HA2 -0.314 3.685 3.960 0.064 0.000 0.295 699 G HA3 -0.314 3.685 3.960 0.064 0.000 0.295 699 G C 0.480 175.387 174.900 0.011 0.000 1.240 699 G CA 0.783 45.873 45.100 -0.016 0.000 0.985 699 G HN 0.721 nan 8.290 nan 0.000 0.555 700 D N 1.182 121.585 120.400 0.004 0.000 2.351 700 D HA 0.202 4.881 4.640 0.064 0.000 0.216 700 D C 2.571 178.880 176.300 0.014 0.000 0.968 700 D CA 1.522 55.520 54.000 -0.003 0.000 0.899 700 D CB -0.641 40.149 40.800 -0.018 0.000 0.907 700 D HN 0.819 nan 8.370 nan 0.000 0.514 701 A N 0.263 123.128 122.820 0.076 0.000 2.125 701 A HA -0.157 4.201 4.320 0.064 0.000 0.219 701 A C 2.056 179.756 177.584 0.195 0.000 1.156 701 A CA 0.741 52.895 52.037 0.196 0.000 0.671 701 A CB -0.354 18.779 19.000 0.222 0.000 0.794 701 A HN 0.130 nan 8.150 nan 0.000 0.459 702 R N -0.382 120.177 120.500 0.098 0.000 2.285 702 R HA -0.047 4.332 4.340 0.064 0.000 0.213 702 R C 1.464 177.783 176.300 0.032 0.000 1.068 702 R CA 0.731 56.878 56.100 0.079 0.000 1.004 702 R CB -0.025 30.308 30.300 0.054 0.000 0.873 702 R HN 0.314 nan 8.270 nan 0.000 0.467 703 K N -0.069 120.310 120.400 -0.034 0.000 2.209 703 K HA -0.130 4.228 4.320 0.064 0.000 0.204 703 K C 1.512 178.019 176.600 -0.156 0.000 1.048 703 K CA 1.256 57.463 56.287 -0.134 0.000 0.940 703 K CB -0.164 32.188 32.500 -0.247 0.000 0.729 703 K HN 0.253 nan 8.250 nan 0.000 0.451 704 F N 1.559 121.485 119.950 -0.040 0.000 2.502 704 F HA -0.062 4.504 4.527 0.065 0.000 0.298 704 F C 2.099 177.851 175.800 -0.081 0.000 1.111 704 F CA 0.666 58.630 58.000 -0.060 0.000 1.445 704 F CB -0.051 38.912 39.000 -0.061 0.000 1.081 704 F HN -0.024 nan 8.300 nan 0.000 0.558 705 K N 0.366 120.818 120.400 0.087 0.000 2.127 705 K HA -0.252 4.107 4.320 0.064 0.000 0.208 705 K C 2.298 178.871 176.600 -0.045 0.000 1.047 705 K CA 1.281 57.567 56.287 -0.001 0.000 0.927 705 K CB -0.411 32.085 32.500 -0.005 0.000 0.716 705 K HN 0.288 nan 8.250 nan 0.000 0.450 706 A N 0.806 123.605 122.820 -0.034 0.000 1.972 706 A HA -0.140 4.219 4.320 0.064 0.000 0.219 706 A C 2.104 179.656 177.584 -0.053 0.000 1.169 706 A CA 1.937 53.944 52.037 -0.050 0.000 0.635 706 A CB -0.769 18.200 19.000 -0.052 0.000 0.810 706 A HN 0.311 nan 8.150 nan 0.000 0.446 707 T N 0.543 115.084 114.554 -0.022 0.000 2.915 707 T HA -0.062 4.327 4.350 0.064 0.000 0.269 707 T C 1.370 175.997 174.700 -0.120 0.000 1.071 707 T CA 1.496 63.581 62.100 -0.026 0.000 1.132 707 T CB -0.479 68.425 68.868 0.060 0.000 0.878 707 T HN 0.753 nan 8.240 nan 0.000 0.479 708 I N -2.003 118.437 120.570 -0.216 0.000 3.927 708 I HA 0.467 4.676 4.170 0.064 0.000 0.332 708 I C -0.254 175.584 176.117 -0.465 0.000 1.485 708 I CA -0.811 60.203 61.300 -0.477 0.000 1.131 708 I CB -0.252 37.290 38.000 -0.762 0.000 1.092 708 I HN -0.100 nan 8.210 nan 0.000 0.410 709 K N 1.829 122.089 120.400 -0.233 0.000 3.156 709 K HA -0.131 4.228 4.320 0.064 0.000 0.266 709 K C -0.377 176.147 176.600 -0.127 0.000 0.966 709 K CA 0.383 56.582 56.287 -0.147 0.000 0.719 709 K CB -1.314 31.121 32.500 -0.109 0.000 1.333 709 K HN 0.387 nan 8.250 nan 0.000 0.468 710 I N 0.857 121.351 120.570 -0.127 0.000 2.371 710 I HA 0.232 4.440 4.170 0.064 0.000 0.290 710 I C 1.385 177.481 176.117 -0.035 0.000 1.028 710 I CA -0.606 60.655 61.300 -0.066 0.000 1.345 710 I CB 0.358 38.324 38.000 -0.058 0.000 1.407 710 I HN 0.272 nan 8.210 nan 0.000 0.501 711 A N 5.011 127.822 122.820 -0.015 0.000 2.406 711 A HA 0.128 4.486 4.320 0.064 0.000 0.243 711 A C 1.136 178.716 177.584 -0.007 0.000 1.082 711 A CA -0.244 51.787 52.037 -0.010 0.000 0.786 711 A CB 0.130 19.128 19.000 -0.003 0.000 1.029 711 A HN 0.758 nan 8.150 nan 0.000 0.495 712 D N 0.065 120.462 120.400 -0.006 0.000 2.149 712 D HA -0.182 4.497 4.640 0.064 0.000 0.194 712 D C 1.716 178.017 176.300 0.002 0.000 1.001 712 D CA 1.955 55.953 54.000 -0.002 0.000 0.849 712 D CB -0.154 40.645 40.800 -0.003 0.000 0.939 712 D HN 0.611 nan 8.370 nan 0.000 0.449 713 Q N -0.182 119.619 119.800 0.003 0.000 2.248 713 Q HA 0.084 4.463 4.340 0.064 0.000 0.208 713 Q C 0.972 176.975 176.000 0.006 0.000 0.984 713 Q CA 1.158 56.964 55.803 0.005 0.000 0.875 713 Q CB -0.334 28.407 28.738 0.004 0.000 0.910 713 Q HN 0.392 nan 8.270 nan 0.000 0.433 714 G N -0.299 108.504 108.800 0.006 0.000 2.655 714 G HA2 -0.154 3.844 3.960 0.064 0.000 0.680 714 G HA3 -0.154 3.844 3.960 0.064 0.000 0.680 714 G C -1.157 173.748 174.900 0.008 0.000 1.302 714 G CA -0.261 44.843 45.100 0.006 0.000 0.872 714 G HN 0.227 nan 8.290 nan 0.000 0.540 715 E N -0.461 119.743 120.200 0.007 0.000 2.354 715 E HA 0.446 4.834 4.350 0.064 0.000 0.283 715 E C -0.370 176.226 176.600 -0.007 0.000 0.938 715 E CA -0.590 55.817 56.400 0.012 0.000 0.777 715 E CB 1.241 30.966 29.700 0.042 0.000 1.222 715 E HN 0.615 nan 8.360 nan 0.000 0.423 716 E N 1.506 121.694 120.200 -0.020 0.000 2.465 716 E HA 0.260 4.649 4.350 0.064 0.000 0.260 716 E C 0.698 177.257 176.600 -0.068 0.000 0.980 716 E CA 1.434 57.807 56.400 -0.045 0.000 0.927 716 E CB 0.643 30.316 29.700 -0.046 0.000 0.934 716 E HN 0.846 nan 8.360 nan 0.000 0.459 717 G N 3.100 111.844 108.800 -0.094 0.000 2.213 717 G HA2 -0.203 3.796 3.960 0.064 0.000 0.236 717 G HA3 -0.203 3.796 3.960 0.064 0.000 0.236 717 G C 0.058 174.903 174.900 -0.092 0.000 0.991 717 G CA -0.449 44.575 45.100 -0.127 0.000 0.629 717 G HN 0.423 nan 8.290 nan 0.000 0.517 718 I N 2.090 122.628 120.570 -0.054 0.000 2.382 718 I HA 0.476 4.684 4.170 0.064 0.000 0.285 718 I C 0.452 176.521 176.117 -0.080 0.000 1.007 718 I CA -1.140 60.136 61.300 -0.041 0.000 1.142 718 I CB 1.266 39.273 38.000 0.012 0.000 1.289 718 I HN -0.096 nan 8.210 nan 0.000 0.453 719 V N 7.399 127.222 119.914 -0.153 0.000 2.509 719 V HA 0.440 4.598 4.120 0.064 0.000 0.284 719 V C 0.202 176.210 176.094 -0.143 0.000 1.047 719 V CA -0.397 61.760 62.300 -0.238 0.000 0.952 719 V CB 1.366 32.882 31.823 -0.513 0.000 0.988 719 V HN 0.876 nan 8.190 nan 0.000 0.469 720 E N 3.804 124.006 120.200 0.003 0.000 2.372 720 E HA 0.877 5.266 4.350 0.064 0.000 0.279 720 E C -1.010 175.742 176.600 0.252 0.000 0.946 720 E CA -0.977 55.535 56.400 0.188 0.000 0.769 720 E CB 2.477 32.239 29.700 0.103 0.000 1.230 720 E HN 0.871 nan 8.360 nan 0.000 0.442 721 A N 1.470 124.457 122.820 0.279 0.000 2.515 721 A HA 0.359 4.718 4.320 0.064 0.000 0.292 721 A C -0.712 176.906 177.584 0.056 0.000 1.065 721 A CA -0.565 51.574 52.037 0.170 0.000 0.641 721 A CB 0.959 20.106 19.000 0.246 0.000 1.306 721 A HN 0.583 nan 8.150 nan 0.000 0.441 722 D N 0.443 120.849 120.400 0.009 0.000 2.178 722 D HA 0.074 4.753 4.640 0.064 0.000 0.202 722 D C 1.063 177.312 176.300 -0.086 0.000 0.974 722 D CA 2.265 56.248 54.000 -0.027 0.000 0.841 722 D CB 0.104 40.891 40.800 -0.022 0.000 0.953 722 D HN 0.825 nan 8.370 nan 0.000 0.478 723 S N -1.448 114.164 115.700 -0.148 0.000 2.638 723 S HA 0.693 5.202 4.470 0.064 0.000 0.274 723 S C -1.010 173.274 174.600 -0.527 0.000 1.157 723 S CA -0.908 57.134 58.200 -0.263 0.000 0.826 723 S CB 2.093 65.194 63.200 -0.164 0.000 1.139 723 S HN 0.023 nan 8.310 nan 0.000 0.474 724 A N 1.665 124.068 122.820 -0.694 0.000 2.347 724 A HA 0.637 4.996 4.320 0.064 0.000 0.287 724 A C -0.115 177.271 177.584 -0.330 0.000 1.199 724 A CA -0.108 51.356 52.037 -0.956 0.000 0.851 724 A CB -0.924 17.694 19.000 -0.637 0.000 1.118 724 A HN 0.934 nan 8.150 nan 0.000 0.525 725 D N 1.424 121.754 120.400 -0.118 0.000 2.989 725 D HA 0.521 5.199 4.640 0.064 0.000 0.284 725 D C 1.251 177.598 176.300 0.078 0.000 1.212 725 D CA 0.151 54.146 54.000 -0.009 0.000 1.055 725 D CB -0.185 40.610 40.800 -0.008 0.000 1.351 725 D HN 0.257 nan 8.370 nan 0.000 0.611 726 G N -0.418 108.416 108.800 0.057 0.000 2.433 726 G HA2 -0.265 3.734 3.960 0.064 0.000 0.216 726 G HA3 -0.265 3.734 3.960 0.064 0.000 0.216 726 G C 1.520 176.469 174.900 0.082 0.000 1.186 726 G CA 1.505 46.641 45.100 0.059 0.000 0.779 726 G HN 0.423 nan 8.290 nan 0.000 0.543 727 S N -0.355 115.397 115.700 0.087 0.000 2.368 727 S HA -0.098 4.411 4.470 0.064 0.000 0.224 727 S C 2.066 176.742 174.600 0.127 0.000 1.029 727 S CA 1.439 59.691 58.200 0.086 0.000 0.988 727 S CB -0.415 62.832 63.200 0.078 0.000 0.838 727 S HN 0.367 nan 8.310 nan 0.000 0.462 728 F N 1.892 121.840 119.950 -0.004 0.000 2.102 728 F HA -0.067 4.499 4.527 0.064 0.000 0.298 728 F C 2.093 177.888 175.800 -0.007 0.000 1.105 728 F CA 1.666 59.663 58.000 -0.005 0.000 1.239 728 F CB -0.300 38.698 39.000 -0.003 0.000 0.991 728 F HN 0.191 nan 8.300 nan 0.000 0.474 729 M N 0.185 119.953 119.600 0.279 0.000 2.175 729 M HA -0.154 4.364 4.480 0.064 0.000 0.264 729 M C 1.738 178.052 176.300 0.024 0.000 1.063 729 M CA 1.277 56.657 55.300 0.134 0.000 1.119 729 M CB -1.332 31.360 32.600 0.154 0.000 1.377 729 M HN 0.133 nan 8.290 nan 0.000 0.415 730 D N 0.514 120.932 120.400 0.030 0.000 2.117 730 D HA -0.135 4.544 4.640 0.064 0.000 0.197 730 D C 1.989 178.269 176.300 -0.033 0.000 0.987 730 D CA 1.135 55.136 54.000 0.001 0.000 0.829 730 D CB -0.100 40.707 40.800 0.012 0.000 0.961 730 D HN 0.470 nan 8.370 nan 0.000 0.460 731 E N 0.402 120.569 120.200 -0.056 0.000 2.047 731 E HA -0.107 4.282 4.350 0.064 0.000 0.191 731 E C 2.174 178.696 176.600 -0.129 0.000 0.987 731 E CA 0.130 56.476 56.400 -0.091 0.000 0.799 731 E CB -0.061 29.569 29.700 -0.116 0.000 0.752 731 E HN 0.147 nan 8.360 nan 0.000 0.449 732 L N 1.044 122.155 121.223 -0.187 0.000 2.013 732 L HA -0.225 4.153 4.340 0.064 0.000 0.212 732 L C 2.218 179.022 176.870 -0.110 0.000 1.073 732 L CA 1.665 56.392 54.840 -0.189 0.000 0.753 732 L CB -0.400 41.510 42.059 -0.248 0.000 0.890 732 L HN 0.253 nan 8.230 nan 0.000 0.432 733 L N -0.791 120.389 121.223 -0.071 0.000 2.141 733 L HA -0.194 4.184 4.340 0.064 0.000 0.209 733 L C 2.469 179.315 176.870 -0.040 0.000 1.094 733 L CA 1.395 56.209 54.840 -0.044 0.000 0.763 733 L CB -0.597 41.448 42.059 -0.024 0.000 0.908 733 L HN 0.268 nan 8.230 nan 0.000 0.437 734 T N 0.180 114.708 114.554 -0.044 0.000 2.708 734 T HA -0.164 4.224 4.350 0.064 0.000 0.266 734 T C 1.954 176.623 174.700 -0.051 0.000 1.037 734 T CA 1.221 63.300 62.100 -0.036 0.000 1.146 734 T CB -0.258 68.590 68.868 -0.033 0.000 0.865 734 T HN 0.178 nan 8.240 nan 0.000 0.435 735 L N 0.411 121.585 121.223 -0.082 0.000 2.013 735 L HA -0.168 4.211 4.340 0.064 0.000 0.212 735 L C 2.751 179.555 176.870 -0.110 0.000 1.073 735 L CA 1.545 56.316 54.840 -0.115 0.000 0.753 735 L CB -0.614 41.357 42.059 -0.147 0.000 0.890 735 L HN 0.320 nan 8.230 nan 0.000 0.432 736 M N -0.810 118.740 119.600 -0.083 0.000 2.213 736 M HA -0.185 4.333 4.480 0.064 0.000 0.263 736 M C 2.454 178.754 176.300 -0.001 0.000 1.062 736 M CA 1.727 56.996 55.300 -0.052 0.000 1.105 736 M CB -0.540 32.040 32.600 -0.034 0.000 1.385 736 M HN 0.338 nan 8.290 nan 0.000 0.417 737 A N 0.264 123.085 122.820 0.002 0.000 2.019 737 A HA 0.040 4.399 4.320 0.064 0.000 0.219 737 A C 2.139 179.763 177.584 0.067 0.000 1.164 737 A CA 1.699 53.758 52.037 0.035 0.000 0.644 737 A CB -0.617 18.398 19.000 0.025 0.000 0.805 737 A HN 0.508 nan 8.150 nan 0.000 0.449 738 A N -2.676 120.162 122.820 0.030 0.000 2.307 738 A HA 0.367 4.726 4.320 0.064 0.000 0.218 738 A C 0.911 178.518 177.584 0.037 0.000 1.228 738 A CA 1.209 53.277 52.037 0.052 0.000 0.857 738 A CB -0.460 18.533 19.000 -0.011 0.000 0.897 738 A HN 0.967 nan 8.150 nan 0.000 0.495 739 H N -1.299 117.711 119.070 -0.100 0.000 4.884 739 H HA -0.182 4.413 4.556 0.064 0.000 0.061 739 H C 0.059 175.166 175.328 -0.369 0.000 0.590 739 H CA 2.366 58.338 56.048 -0.127 0.000 0.961 739 H CB -0.599 29.193 29.762 0.050 0.000 0.443 739 H HN 0.456 nan 8.280 nan 0.000 0.794 740 R N -0.364 119.565 120.500 -0.951 0.000 2.836 740 R HA 0.626 5.005 4.340 0.064 0.000 0.269 740 R C -0.723 174.721 176.300 -1.426 0.000 1.010 740 R CA -0.286 54.999 56.100 -1.359 0.000 0.930 740 R CB 1.785 30.915 30.300 -1.950 0.000 1.218 740 R HN 0.066 nan 8.270 nan 0.000 0.473 741 V N 2.300 121.593 119.914 -1.035 0.000 2.218 741 V HA 0.125 4.284 4.120 0.064 0.000 0.261 741 V C 0.620 176.340 176.094 -0.623 0.000 1.142 741 V CA -0.462 61.421 62.300 -0.694 0.000 0.965 741 V CB -0.159 31.396 31.823 -0.446 0.000 1.190 741 V HN 0.718 nan 8.190 nan 0.000 0.478 742 W N 1.544 122.561 121.300 -0.472 0.000 2.392 742 W HA -0.170 4.529 4.660 0.064 0.000 0.279 742 W C 2.519 178.820 176.519 -0.363 0.000 1.225 742 W CA 0.866 57.839 57.345 -0.621 0.000 1.233 742 W CB -0.389 28.289 29.460 -1.304 0.000 1.122 742 W HN 0.648 nan 8.180 nan 0.000 0.561 743 S N 0.772 116.417 115.700 -0.092 0.000 2.474 743 S HA -0.153 4.355 4.470 0.064 0.000 0.235 743 S C 1.709 176.268 174.600 -0.068 0.000 0.997 743 S CA 0.919 59.090 58.200 -0.049 0.000 0.949 743 S CB -0.414 62.759 63.200 -0.045 0.000 0.766 743 S HN 0.418 nan 8.310 nan 0.000 0.517 744 R N 0.634 121.051 120.500 -0.139 0.000 2.299 744 R HA 0.262 4.641 4.340 0.064 0.000 0.197 744 R C 1.725 177.957 176.300 -0.114 0.000 0.971 744 R CA 0.337 56.338 56.100 -0.165 0.000 1.030 744 R CB -0.377 29.714 30.300 -0.348 0.000 0.932 744 R HN 0.475 nan 8.270 nan 0.000 0.477 745 I N 1.758 122.298 120.570 -0.050 0.000 2.151 745 I HA -0.240 3.969 4.170 0.064 0.000 0.243 745 I C -0.828 175.311 176.117 0.038 0.000 1.080 745 I CA 1.379 62.692 61.300 0.022 0.000 1.339 745 I CB -0.913 37.151 38.000 0.108 0.000 1.039 745 I HN 0.166 nan 8.210 nan 0.000 0.409 746 P HA -0.177 nan 4.420 nan 0.000 0.219 746 P C 1.238 178.568 177.300 0.050 0.000 1.146 746 P CA 1.487 64.617 63.100 0.048 0.000 0.808 746 P CB -0.050 31.676 31.700 0.043 0.000 0.779 747 K N -0.626 119.800 120.400 0.043 0.000 2.418 747 K HA 0.071 4.429 4.320 0.064 0.000 0.195 747 K C 1.881 178.551 176.600 0.117 0.000 1.035 747 K CA 0.544 56.882 56.287 0.085 0.000 1.003 747 K CB -0.263 32.313 32.500 0.126 0.000 0.793 747 K HN 0.296 nan 8.250 nan 0.000 0.494 748 I N -2.502 118.106 120.570 0.063 0.000 3.226 748 I HA 0.007 4.216 4.170 0.064 0.000 0.277 748 I C 1.082 177.241 176.117 0.071 0.000 1.243 748 I CA 0.744 62.084 61.300 0.066 0.000 1.459 748 I CB 0.052 38.041 38.000 -0.018 0.000 1.093 748 I HN -0.173 nan 8.210 nan 0.000 0.453 749 D N 2.316 122.758 120.400 0.070 0.000 2.228 749 D HA -0.178 4.501 4.640 0.064 0.000 0.203 749 D C 1.988 178.327 176.300 0.065 0.000 0.988 749 D CA 1.407 55.449 54.000 0.071 0.000 0.864 749 D CB 0.072 40.914 40.800 0.070 0.000 0.928 749 D HN 0.477 nan 8.370 nan 0.000 0.469 750 K N -0.469 119.970 120.400 0.066 0.000 2.276 750 K HA 0.088 4.447 4.320 0.064 0.000 0.198 750 K C 0.321 176.952 176.600 0.052 0.000 1.052 750 K CA -0.256 56.064 56.287 0.055 0.000 0.984 750 K CB 0.300 32.830 32.500 0.050 0.000 0.836 750 K HN 0.121 nan 8.250 nan 0.000 0.490 751 I N 1.688 122.297 120.570 0.065 0.000 2.741 751 I HA 0.048 4.256 4.170 0.064 0.000 0.288 751 I C -2.473 173.671 176.117 0.045 0.000 1.192 751 I CA -2.614 58.717 61.300 0.051 0.000 1.426 751 I CB -0.487 37.559 38.000 0.077 0.000 1.367 751 I HN -0.059 nan 8.210 nan 0.000 0.563 752 P HA 0.553 nan 4.420 nan 0.000 0.256 752 P C -0.709 176.646 177.300 0.093 0.000 1.689 752 P CA -0.029 63.105 63.100 0.057 0.000 1.124 752 P CB 0.362 32.091 31.700 0.047 0.000 1.766 753 A N 0.000 122.875 122.820 0.092 0.000 2.254 753 A HA 0.000 4.359 4.320 0.064 0.000 0.244 753 A CA 0.000 52.133 52.037 0.160 0.000 0.836 753 A CB 0.000 18.966 19.000 -0.056 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486