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 3pq8_1_C 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 0.000 174.563 174.600 -0.062 0.000 1.055 28 S CA 0.000 58.171 58.200 -0.049 0.000 1.107 28 S CB 0.000 63.169 63.200 -0.052 0.000 0.593 29 L N 2.671 123.849 121.223 -0.075 0.000 2.416 29 L HA 0.391 4.758 4.340 0.046 0.000 0.216 29 L C 1.486 178.280 176.870 -0.128 0.000 1.098 29 L CA 0.547 55.338 54.840 -0.081 0.000 0.840 29 L CB -0.534 41.489 42.059 -0.061 0.000 0.981 29 L HN 0.743 nan 8.230 nan 0.000 0.462 30 A N 1.675 124.366 122.820 -0.215 0.000 2.445 30 A HA 0.345 4.693 4.320 0.046 0.000 0.242 30 A C -1.991 175.439 177.584 -0.257 0.000 1.075 30 A CA -0.906 50.880 52.037 -0.418 0.000 0.777 30 A CB -0.576 17.949 19.000 -0.792 0.000 1.013 30 A HN -0.002 nan 8.150 nan 0.000 0.493 31 P HA 0.112 nan 4.420 nan 0.000 0.271 31 P C 0.249 177.533 177.300 -0.027 0.000 1.218 31 P CA -0.050 63.014 63.100 -0.060 0.000 0.780 31 P CB 0.825 32.529 31.700 0.008 0.000 0.901 32 E N 1.182 121.376 120.200 -0.011 0.000 2.160 32 E HA -0.231 4.147 4.350 0.046 0.000 0.195 32 E C 1.064 177.684 176.600 0.032 0.000 0.991 32 E CA 1.754 58.157 56.400 0.005 0.000 0.810 32 E CB -0.195 29.506 29.700 0.002 0.000 0.742 32 E HN 0.538 nan 8.360 nan 0.000 0.466 33 D N -1.451 118.974 120.400 0.041 0.000 2.336 33 D HA 0.028 4.696 4.640 0.046 0.000 0.229 33 D C 1.192 177.540 176.300 0.080 0.000 1.061 33 D CA 0.742 54.772 54.000 0.049 0.000 0.875 33 D CB -0.208 40.614 40.800 0.036 0.000 0.904 33 D HN 0.234 nan 8.370 nan 0.000 0.525 34 G N 0.526 109.416 108.800 0.149 0.000 2.166 34 G HA2 -0.372 3.616 3.960 0.046 0.000 0.260 34 G HA3 -0.372 3.616 3.960 0.046 0.000 0.260 34 G C 1.039 176.024 174.900 0.143 0.000 0.986 34 G CA 0.909 46.140 45.100 0.218 0.000 0.683 34 G HN 0.709 nan 8.290 nan 0.000 0.527 35 S N 0.445 116.240 115.700 0.158 0.000 2.603 35 S HA -0.021 4.477 4.470 0.046 0.000 0.229 35 S C 1.878 176.541 174.600 0.104 0.000 0.972 35 S CA 1.117 59.368 58.200 0.085 0.000 0.935 35 S CB -0.499 62.740 63.200 0.065 0.000 0.769 35 S HN 0.920 nan 8.310 nan 0.000 0.536 36 H N 0.743 119.818 119.070 0.009 0.000 2.512 36 H HA 0.288 4.871 4.556 0.045 0.000 0.279 36 H C 0.788 176.126 175.328 0.017 0.000 0.999 36 H CA 0.204 56.259 56.048 0.011 0.000 1.283 36 H CB -0.320 29.448 29.762 0.009 0.000 1.421 36 H HN 0.327 nan 8.280 nan 0.000 0.554 37 R N 2.415 122.619 120.500 -0.493 0.000 2.229 37 R HA 0.341 4.708 4.340 0.046 0.000 0.332 37 R C -2.619 173.590 176.300 -0.152 0.000 0.989 37 R CA -2.032 53.836 56.100 -0.386 0.000 0.842 37 R CB 0.775 30.755 30.300 -0.532 0.000 1.119 37 R HN 0.092 nan 8.270 nan 0.000 0.456 38 P HA 0.047 nan 4.420 nan 0.000 0.265 38 P C -0.958 176.333 177.300 -0.016 0.000 1.193 38 P CA -0.082 63.009 63.100 -0.016 0.000 0.765 38 P CB 0.907 32.623 31.700 0.026 0.000 0.823 39 A N 3.474 126.290 122.820 -0.006 0.000 2.567 39 A HA 0.322 4.669 4.320 0.046 0.000 0.240 39 A C 0.966 178.559 177.584 0.016 0.000 1.053 39 A CA 0.288 52.325 52.037 0.001 0.000 0.755 39 A CB -0.416 18.587 19.000 0.006 0.000 0.978 39 A HN 0.589 nan 8.150 nan 0.000 0.507 40 A N 3.357 126.185 122.820 0.014 0.000 3.118 40 A HA 0.503 4.851 4.320 0.046 0.000 0.256 40 A C 0.365 177.966 177.584 0.029 0.000 1.667 40 A CA 0.207 52.259 52.037 0.025 0.000 1.338 40 A CB -0.838 18.173 19.000 0.019 0.000 1.127 40 A HN 0.933 nan 8.150 nan 0.000 0.634 41 E N -0.878 119.342 120.200 0.034 0.000 2.401 41 E HA 0.466 4.843 4.350 0.046 0.000 0.280 41 E C -3.317 173.306 176.600 0.039 0.000 1.039 41 E CA -2.411 54.011 56.400 0.036 0.000 0.814 41 E CB 0.534 30.250 29.700 0.026 0.000 1.275 41 E HN 0.034 nan 8.360 nan 0.000 0.448 42 P HA 0.101 nan 4.420 nan 0.000 0.267 42 P C -0.887 176.422 177.300 0.015 0.000 1.205 42 P CA 0.366 63.483 63.100 0.027 0.000 0.765 42 P CB 0.587 32.294 31.700 0.012 0.000 0.828 43 T N 0.850 115.408 114.554 0.008 0.000 2.916 43 T HA 0.639 5.016 4.350 0.046 0.000 0.305 43 T C -3.024 171.652 174.700 -0.039 0.000 1.119 43 T CA -2.440 59.659 62.100 -0.001 0.000 1.008 43 T CB 1.896 70.769 68.868 0.007 0.000 1.129 43 T HN 0.067 nan 8.240 nan 0.000 0.480 44 P HA 0.444 nan 4.420 nan 0.000 0.276 44 P C -2.848 174.306 177.300 -0.244 0.000 1.252 44 P CA -1.881 61.078 63.100 -0.236 0.000 0.802 44 P CB -0.744 30.879 31.700 -0.128 0.000 1.035 45 P HA 0.097 nan 4.420 nan 0.000 0.264 45 P C 1.013 178.259 177.300 -0.090 0.000 1.193 45 P CA 1.383 64.376 63.100 -0.179 0.000 0.763 45 P CB -0.229 31.362 31.700 -0.181 0.000 0.810 46 G N 2.704 111.482 108.800 -0.036 0.000 2.217 46 G HA2 -0.319 3.668 3.960 0.046 0.000 0.246 46 G HA3 -0.319 3.668 3.960 0.046 0.000 0.246 46 G C 1.127 176.022 174.900 -0.008 0.000 0.990 46 G CA 0.344 45.437 45.100 -0.012 0.000 0.627 46 G HN 0.660 nan 8.290 nan 0.000 0.522 47 A N -1.149 121.662 122.820 -0.016 0.000 2.014 47 A HA 0.450 4.798 4.320 0.046 0.000 0.218 47 A C 1.290 178.875 177.584 0.003 0.000 1.163 47 A CA 1.998 54.031 52.037 -0.006 0.000 0.652 47 A CB 0.022 19.017 19.000 -0.009 0.000 0.808 47 A HN 0.476 nan 8.150 nan 0.000 0.449 48 Q N -1.290 118.515 119.800 0.009 0.000 2.462 48 Q HA 0.432 4.799 4.340 0.046 0.000 0.285 48 Q C -2.997 173.017 176.000 0.023 0.000 1.035 48 Q CA -1.854 53.959 55.803 0.016 0.000 0.799 48 Q CB 1.100 29.851 28.738 0.022 0.000 1.452 48 Q HN 0.050 nan 8.270 nan 0.000 0.404 49 P HA 0.087 nan 4.420 nan 0.000 0.272 49 P C -0.379 176.950 177.300 0.049 0.000 1.223 49 P CA -0.023 63.091 63.100 0.023 0.000 0.784 49 P CB 0.320 32.031 31.700 0.018 0.000 0.923 50 T N -0.811 113.771 114.554 0.047 0.000 2.860 50 T HA 0.589 4.967 4.350 0.046 0.000 0.299 50 T C -0.032 174.753 174.700 0.142 0.000 1.045 50 T CA -0.572 61.603 62.100 0.125 0.000 1.071 50 T CB 0.634 69.516 68.868 0.023 0.000 0.985 50 T HN 0.513 nan 8.240 nan 0.000 0.537 51 A N 2.266 125.267 122.820 0.301 0.000 2.527 51 A HA 0.822 5.170 4.320 0.046 0.000 0.293 51 A C -2.925 174.917 177.584 0.429 0.000 1.117 51 A CA -2.239 49.950 52.037 0.253 0.000 0.723 51 A CB 0.747 19.849 19.000 0.168 0.000 1.313 51 A HN 0.675 nan 8.150 nan 0.000 0.411 52 P HA 0.122 nan 4.420 nan 0.000 0.265 52 P C 1.208 178.665 177.300 0.262 0.000 1.187 52 P CA 0.814 64.137 63.100 0.372 0.000 0.766 52 P CB 0.514 32.352 31.700 0.230 0.000 0.820 53 G N 2.232 111.150 108.800 0.195 0.000 2.476 53 G HA2 -0.315 3.672 3.960 0.046 0.000 0.218 53 G HA3 -0.315 3.672 3.960 0.046 0.000 0.218 53 G C 1.580 176.504 174.900 0.040 0.000 1.164 53 G CA 1.246 46.374 45.100 0.047 0.000 0.768 53 G HN 0.603 nan 8.290 nan 0.000 0.560 54 S N 0.118 115.843 115.700 0.042 0.000 2.447 54 S HA 0.110 4.608 4.470 0.046 0.000 0.233 54 S C 2.251 176.872 174.600 0.036 0.000 1.006 54 S CA 0.979 59.189 58.200 0.017 0.000 0.957 54 S CB -0.193 63.008 63.200 0.003 0.000 0.773 54 S HN 0.327 nan 8.310 nan 0.000 0.507 55 L N -0.020 121.242 121.223 0.064 0.000 2.202 55 L HA 0.223 4.590 4.340 0.046 0.000 0.205 55 L C 2.719 179.624 176.870 0.059 0.000 1.083 55 L CA 0.900 55.777 54.840 0.060 0.000 0.790 55 L CB -0.384 41.719 42.059 0.073 0.000 0.942 55 L HN 0.247 nan 8.230 nan 0.000 0.452 56 K N 1.468 121.916 120.400 0.079 0.000 2.057 56 K HA -0.023 4.324 4.320 0.046 0.000 0.206 56 K C 0.806 177.439 176.600 0.055 0.000 1.050 56 K CA 1.488 57.822 56.287 0.078 0.000 0.935 56 K CB 0.031 32.596 32.500 0.109 0.000 0.715 56 K HN 0.172 nan 8.250 nan 0.000 0.439 57 A N 0.531 123.376 122.820 0.042 0.000 3.355 57 A HA 0.337 4.685 4.320 0.046 0.000 0.290 57 A C -2.130 175.461 177.584 0.012 0.000 0.973 57 A CA -0.921 51.136 52.037 0.033 0.000 0.933 57 A CB 0.546 19.570 19.000 0.039 0.000 1.138 57 A HN 0.184 nan 8.150 nan 0.000 0.490 58 P HA -0.132 nan 4.420 nan 0.000 0.222 58 P C 0.136 177.430 177.300 -0.011 0.000 1.147 58 P CA 1.084 64.183 63.100 -0.000 0.000 0.790 58 P CB 0.301 32.005 31.700 0.007 0.000 0.780 59 D N -0.600 119.798 120.400 -0.003 0.000 2.355 59 D HA 0.006 4.674 4.640 0.046 0.000 0.218 59 D C 0.484 176.769 176.300 -0.025 0.000 1.004 59 D CA 0.635 54.629 54.000 -0.010 0.000 0.880 59 D CB -0.348 40.453 40.800 0.002 0.000 0.911 59 D HN 0.160 nan 8.370 nan 0.000 0.528 60 T N 2.494 117.030 114.554 -0.030 0.000 2.884 60 T HA 0.315 4.692 4.350 0.046 0.000 0.298 60 T C 0.572 175.224 174.700 -0.080 0.000 0.998 60 T CA -0.373 61.692 62.100 -0.058 0.000 1.124 60 T CB 1.350 70.181 68.868 -0.062 0.000 0.931 60 T HN 0.129 nan 8.240 nan 0.000 0.531 61 R N 1.704 122.146 120.500 -0.098 0.000 2.734 61 R HA 0.597 4.965 4.340 0.046 0.000 0.271 61 R C -1.548 174.685 176.300 -0.111 0.000 1.021 61 R CA -0.958 55.081 56.100 -0.102 0.000 0.893 61 R CB 1.093 31.342 30.300 -0.085 0.000 1.244 61 R HN 0.763 nan 8.270 nan 0.000 0.464 62 N N -1.674 116.967 118.700 -0.099 0.000 3.116 62 N HA 0.090 4.858 4.740 0.046 0.000 0.244 62 N C 0.097 175.563 175.510 -0.074 0.000 1.485 62 N CA -0.481 52.524 53.050 -0.075 0.000 0.884 62 N CB 0.656 39.129 38.487 -0.024 0.000 1.415 62 N HN 0.711 nan 8.380 nan 0.000 0.524 63 E N -0.252 119.920 120.200 -0.046 0.000 2.085 63 E HA -0.280 4.098 4.350 0.046 0.000 0.194 63 E C 1.066 177.602 176.600 -0.108 0.000 0.994 63 E CA 1.541 57.910 56.400 -0.052 0.000 0.801 63 E CB 0.063 29.760 29.700 -0.005 0.000 0.743 63 E HN 0.478 nan 8.360 nan 0.000 0.453 64 K N 0.761 121.064 120.400 -0.162 0.000 2.031 64 K HA -0.070 4.277 4.320 0.046 0.000 0.205 64 K C 2.134 178.572 176.600 -0.271 0.000 1.049 64 K CA 1.174 57.269 56.287 -0.321 0.000 0.939 64 K CB -0.487 31.650 32.500 -0.606 0.000 0.717 64 K HN 0.192 nan 8.250 nan 0.000 0.438 65 L N 1.011 122.089 121.223 -0.242 0.000 2.079 65 L HA -0.236 4.131 4.340 0.046 0.000 0.210 65 L C 1.821 178.578 176.870 -0.188 0.000 1.081 65 L CA 1.361 56.034 54.840 -0.278 0.000 0.752 65 L CB -0.658 41.233 42.059 -0.280 0.000 0.896 65 L HN 0.261 nan 8.230 nan 0.000 0.433 66 N N -0.294 118.321 118.700 -0.142 0.000 2.166 66 N HA -0.154 4.614 4.740 0.046 0.000 0.186 66 N C 2.033 177.485 175.510 -0.098 0.000 1.019 66 N CA 1.669 54.657 53.050 -0.103 0.000 0.856 66 N CB -0.458 37.982 38.487 -0.077 0.000 0.993 66 N HN 0.382 nan 8.380 nan 0.000 0.426 67 S N 0.100 115.731 115.700 -0.115 0.000 2.515 67 S HA 0.069 4.567 4.470 0.046 0.000 0.231 67 S C 1.711 176.248 174.600 -0.104 0.000 0.987 67 S CA 0.287 58.426 58.200 -0.101 0.000 0.936 67 S CB -0.388 62.748 63.200 -0.106 0.000 0.766 67 S HN 0.227 nan 8.310 nan 0.000 0.528 68 L N 0.784 121.930 121.223 -0.128 0.000 2.591 68 L HA 0.236 4.604 4.340 0.046 0.000 0.228 68 L C 2.530 179.351 176.870 -0.081 0.000 1.133 68 L CA 0.461 55.233 54.840 -0.113 0.000 0.880 68 L CB -0.293 41.678 42.059 -0.146 0.000 1.033 68 L HN 0.281 nan 8.230 nan 0.000 0.450 69 E N 1.193 121.348 120.200 -0.074 0.000 2.204 69 E HA -0.254 4.123 4.350 0.046 0.000 0.195 69 E C 1.596 178.174 176.600 -0.036 0.000 0.990 69 E CA 1.536 57.905 56.400 -0.051 0.000 0.821 69 E CB 0.004 29.676 29.700 -0.047 0.000 0.750 69 E HN 0.566 nan 8.360 nan 0.000 0.477 70 D N -0.573 119.804 120.400 -0.038 0.000 2.310 70 D HA -0.132 4.536 4.640 0.046 0.000 0.212 70 D C 1.604 177.890 176.300 -0.024 0.000 0.965 70 D CA 1.260 55.243 54.000 -0.028 0.000 0.879 70 D CB -0.278 40.505 40.800 -0.029 0.000 0.921 70 D HN 0.295 nan 8.370 nan 0.000 0.510 71 V N -3.676 116.222 119.914 -0.027 0.000 3.528 71 V HA 0.322 4.469 4.120 0.046 0.000 0.294 71 V C 0.767 176.854 176.094 -0.011 0.000 1.404 71 V CA -0.695 61.594 62.300 -0.018 0.000 1.065 71 V CB -0.518 31.294 31.823 -0.018 0.000 0.904 71 V HN -0.157 nan 8.190 nan 0.000 0.435 72 R N 2.280 122.772 120.500 -0.014 0.000 2.489 72 R HA 0.404 4.771 4.340 0.046 0.000 0.287 72 R C -0.395 175.907 176.300 0.003 0.000 1.053 72 R CA 0.196 56.295 56.100 -0.000 0.000 1.036 72 R CB 0.579 30.878 30.300 -0.002 0.000 0.966 72 R HN 0.450 nan 8.270 nan 0.000 0.432 73 K N 1.491 121.898 120.400 0.011 0.000 2.323 73 K HA 0.286 4.634 4.320 0.046 0.000 0.259 73 K C 0.236 176.857 176.600 0.034 0.000 0.947 73 K CA -0.490 55.793 56.287 -0.006 0.000 0.819 73 K CB 2.338 34.824 32.500 -0.024 0.000 1.109 73 K HN 0.694 nan 8.250 nan 0.000 0.429 74 G N 0.393 109.233 108.800 0.067 0.000 2.504 74 G HA2 0.240 4.227 3.960 0.046 0.000 0.257 74 G HA3 0.240 4.227 3.960 0.046 0.000 0.257 74 G C 0.585 175.610 174.900 0.209 0.000 1.451 74 G CA 0.242 45.441 45.100 0.165 0.000 1.059 74 G HN 0.647 nan 8.290 nan 0.000 0.550 75 S N -2.798 113.104 115.700 0.338 0.000 2.707 75 S HA 0.089 4.587 4.470 0.046 0.000 0.224 75 S C 0.216 174.967 174.600 0.252 0.000 0.931 75 S CA -0.098 58.295 58.200 0.322 0.000 1.243 75 S CB -0.085 63.209 63.200 0.156 0.000 0.949 75 S HN 0.505 nan 8.310 nan 0.000 0.384 76 E N 3.072 123.332 120.200 0.101 0.000 2.529 76 E HA 0.204 4.582 4.350 0.046 0.000 0.259 76 E C -0.198 176.275 176.600 -0.212 0.000 0.966 76 E CA 0.461 56.846 56.400 -0.025 0.000 0.937 76 E CB 0.021 29.706 29.700 -0.026 0.000 0.923 76 E HN 0.422 nan 8.360 nan 0.000 0.468 77 N N 0.677 119.285 118.700 -0.154 0.000 2.909 77 N HA -0.213 4.555 4.740 0.046 0.000 0.242 77 N C -1.087 174.280 175.510 -0.240 0.000 0.975 77 N CA 1.151 54.072 53.050 -0.215 0.000 0.921 77 N CB -1.328 37.000 38.487 -0.265 0.000 1.112 77 N HN 0.371 nan 8.380 nan 0.000 0.581 78 Y N 0.695 121.001 120.300 0.010 0.000 2.387 78 Y HA 0.641 5.219 4.550 0.047 0.000 0.330 78 Y C 0.956 176.859 175.900 0.006 0.000 1.133 78 Y CA -0.667 57.438 58.100 0.009 0.000 1.152 78 Y CB 0.993 39.459 38.460 0.009 0.000 1.215 78 Y HN 0.123 nan 8.280 nan 0.000 0.466 79 A N 2.598 125.534 122.820 0.194 0.000 2.425 79 A HA 0.385 4.733 4.320 0.046 0.000 0.249 79 A C -0.642 176.992 177.584 0.084 0.000 1.084 79 A CA -0.524 51.575 52.037 0.103 0.000 0.781 79 A CB 0.036 19.082 19.000 0.077 0.000 1.019 79 A HN 0.722 nan 8.150 nan 0.000 0.490 80 L N 3.003 124.256 121.223 0.050 0.000 2.410 80 L HA 0.476 4.843 4.340 0.046 0.000 0.273 80 L C 0.680 177.559 176.870 0.016 0.000 1.144 80 L CA 1.267 56.122 54.840 0.026 0.000 0.863 80 L CB 0.260 42.326 42.059 0.011 0.000 1.140 80 L HN 0.913 nan 8.230 nan 0.000 0.463 81 T N 0.421 114.980 114.554 0.007 0.000 2.865 81 T HA 0.638 5.016 4.350 0.046 0.000 0.294 81 T C 0.179 174.882 174.700 0.006 0.000 1.119 81 T CA -0.196 61.911 62.100 0.011 0.000 1.007 81 T CB 1.025 69.901 68.868 0.013 0.000 1.225 81 T HN 0.811 nan 8.240 nan 0.000 0.515 82 T N 0.499 115.071 114.554 0.030 0.000 2.748 82 T HA 0.169 4.547 4.350 0.046 0.000 0.304 82 T C 1.098 175.817 174.700 0.032 0.000 1.041 82 T CA -0.412 61.717 62.100 0.047 0.000 1.033 82 T CB -0.105 68.837 68.868 0.122 0.000 0.995 82 T HN 0.583 nan 8.240 nan 0.000 0.536 83 N N 0.649 119.371 118.700 0.036 0.000 2.519 83 N HA -0.076 4.691 4.740 0.046 0.000 0.186 83 N C 1.496 177.029 175.510 0.037 0.000 1.062 83 N CA 0.608 53.673 53.050 0.026 0.000 0.910 83 N CB -0.167 38.346 38.487 0.042 0.000 0.958 83 N HN 0.571 nan 8.380 nan 0.000 0.445 84 Q N -0.596 119.238 119.800 0.056 0.000 2.360 84 Q HA 0.195 4.562 4.340 0.046 0.000 0.202 84 Q C 0.809 176.831 176.000 0.037 0.000 0.915 84 Q CA 0.155 55.985 55.803 0.046 0.000 0.943 84 Q CB 0.459 29.230 28.738 0.055 0.000 1.064 84 Q HN 0.398 nan 8.270 nan 0.000 0.511 85 G N 0.494 109.314 108.800 0.034 0.000 2.132 85 G HA2 -0.232 3.755 3.960 0.046 0.000 0.234 85 G HA3 -0.232 3.755 3.960 0.046 0.000 0.234 85 G C 0.063 174.988 174.900 0.041 0.000 0.989 85 G CA 0.141 45.255 45.100 0.023 0.000 0.676 85 G HN 0.219 nan 8.290 nan 0.000 0.522 86 V N 1.501 121.456 119.914 0.069 0.000 2.432 86 V HA 0.394 4.542 4.120 0.046 0.000 0.275 86 V C 1.271 177.407 176.094 0.069 0.000 1.043 86 V CA -0.657 61.697 62.300 0.089 0.000 0.925 86 V CB 1.227 33.150 31.823 0.166 0.000 0.985 86 V HN 0.401 nan 8.190 nan 0.000 0.466 87 R N 4.314 124.846 120.500 0.055 0.000 2.537 87 R HA 0.363 4.731 4.340 0.046 0.000 0.280 87 R C -0.524 175.791 176.300 0.025 0.000 1.058 87 R CA -0.050 56.072 56.100 0.037 0.000 1.057 87 R CB 0.510 30.831 30.300 0.035 0.000 0.973 87 R HN 0.574 nan 8.270 nan 0.000 0.438 88 I N 2.027 122.599 120.570 0.003 0.000 2.353 88 I HA 0.125 4.323 4.170 0.046 0.000 0.293 88 I C 0.977 177.083 176.117 -0.018 0.000 0.992 88 I CA -0.006 61.279 61.300 -0.025 0.000 1.268 88 I CB 1.875 39.850 38.000 -0.042 0.000 1.387 88 I HN 0.768 nan 8.210 nan 0.000 0.478 89 A N 3.966 126.771 122.820 -0.025 0.000 1.911 89 A HA 0.018 4.365 4.320 0.046 0.000 0.212 89 A C 0.652 178.221 177.584 -0.026 0.000 1.189 89 A CA 0.870 52.896 52.037 -0.018 0.000 0.639 89 A CB 0.057 19.049 19.000 -0.013 0.000 0.839 89 A HN 0.684 nan 8.150 nan 0.000 0.449 90 D N -0.498 119.878 120.400 -0.040 0.000 2.469 90 D HA 0.349 5.016 4.640 0.046 0.000 0.251 90 D C -1.288 174.979 176.300 -0.054 0.000 1.173 90 D CA -0.359 53.616 54.000 -0.041 0.000 0.882 90 D CB 1.250 42.026 40.800 -0.041 0.000 1.129 90 D HN 0.079 nan 8.370 nan 0.000 0.549 91 D N 2.065 122.436 120.400 -0.047 0.000 2.395 91 D HA 0.050 4.717 4.640 0.046 0.000 0.226 91 D C 0.596 176.864 176.300 -0.053 0.000 1.146 91 D CA 0.243 54.211 54.000 -0.054 0.000 0.830 91 D CB 0.497 41.271 40.800 -0.044 0.000 0.958 91 D HN 0.225 nan 8.370 nan 0.000 0.501 92 Q N -0.615 119.156 119.800 -0.049 0.000 2.280 92 Q HA 0.271 4.639 4.340 0.046 0.000 0.228 92 Q C -0.174 175.797 176.000 -0.049 0.000 0.857 92 Q CA 0.183 55.958 55.803 -0.047 0.000 0.939 92 Q CB 0.810 29.525 28.738 -0.038 0.000 1.114 92 Q HN 0.196 nan 8.270 nan 0.000 0.514 93 N N 0.092 118.760 118.700 -0.053 0.000 2.277 93 N HA 0.291 5.058 4.740 0.046 0.000 0.286 93 N C -0.995 174.480 175.510 -0.058 0.000 1.140 93 N CA -0.230 52.790 53.050 -0.050 0.000 0.799 93 N CB 2.129 40.591 38.487 -0.041 0.000 1.596 93 N HN -0.172 nan 8.380 nan 0.000 0.473 94 S N 0.713 116.382 115.700 -0.053 0.000 2.614 94 S HA 0.272 4.769 4.470 0.046 0.000 0.265 94 S C 0.173 174.746 174.600 -0.045 0.000 1.303 94 S CA -0.540 57.628 58.200 -0.053 0.000 1.000 94 S CB 0.673 63.848 63.200 -0.042 0.000 0.935 94 S HN 0.403 nan 8.310 nan 0.000 0.551 95 L N 3.219 124.415 121.223 -0.045 0.000 2.313 95 L HA 0.419 4.786 4.340 0.046 0.000 0.282 95 L C 0.073 176.934 176.870 -0.015 0.000 1.092 95 L CA 0.272 55.094 54.840 -0.030 0.000 0.831 95 L CB -0.132 41.911 42.059 -0.025 0.000 1.159 95 L HN 0.712 nan 8.230 nan 0.000 0.442 96 R N 4.214 124.707 120.500 -0.012 0.000 2.867 96 R HA 0.870 5.238 4.340 0.046 0.000 0.268 96 R C -1.072 175.226 176.300 -0.002 0.000 1.014 96 R CA -0.844 55.252 56.100 -0.007 0.000 0.946 96 R CB 1.181 31.475 30.300 -0.010 0.000 1.208 96 R HN 0.563 nan 8.270 nan 0.000 0.477 97 A N 1.301 124.121 122.820 -0.000 0.000 2.807 97 A HA 0.575 4.923 4.320 0.046 0.000 0.307 97 A C 0.594 178.177 177.584 -0.001 0.000 1.532 97 A CA 0.293 52.331 52.037 0.002 0.000 1.215 97 A CB -0.977 18.025 19.000 0.004 0.000 1.127 97 A HN 1.232 nan 8.150 nan 0.000 0.543 98 G N 1.046 109.845 108.800 -0.002 0.000 2.705 98 G HA2 0.031 4.019 3.960 0.046 0.000 0.686 98 G HA3 0.031 4.019 3.960 0.046 0.000 0.686 98 G C 0.683 175.580 174.900 -0.006 0.000 1.285 98 G CA 0.127 45.225 45.100 -0.003 0.000 0.800 98 G HN 1.824 nan 8.290 nan 0.000 0.611 99 S N -0.302 115.394 115.700 -0.007 0.000 2.507 99 S HA 0.010 4.507 4.470 0.046 0.000 0.235 99 S C 1.509 176.103 174.600 -0.010 0.000 0.988 99 S CA 1.396 59.590 58.200 -0.010 0.000 0.944 99 S CB 0.057 63.251 63.200 -0.010 0.000 0.762 99 S HN 0.752 nan 8.310 nan 0.000 0.526 100 R N 0.736 121.232 120.500 -0.008 0.000 2.613 100 R HA 0.348 4.716 4.340 0.046 0.000 0.361 100 R C 0.869 177.165 176.300 -0.007 0.000 1.072 100 R CA 0.036 56.131 56.100 -0.008 0.000 1.089 100 R CB 0.842 31.138 30.300 -0.007 0.000 1.343 100 R HN 0.434 nan 8.270 nan 0.000 0.571 101 G N 1.592 110.389 108.800 -0.006 0.000 2.568 101 G HA2 0.408 4.395 3.960 0.046 0.000 0.293 101 G HA3 0.408 4.395 3.960 0.046 0.000 0.293 101 G C -2.415 172.482 174.900 -0.005 0.000 1.347 101 G CA -1.104 43.993 45.100 -0.004 0.000 1.039 101 G HN -0.107 nan 8.290 nan 0.000 0.523 102 P HA 0.242 nan 4.420 nan 0.000 0.277 102 P C -0.287 177.012 177.300 -0.002 0.000 1.240 102 P CA -0.103 62.996 63.100 -0.002 0.000 0.798 102 P CB 0.898 32.599 31.700 0.002 0.000 0.979 103 T N 2.442 116.994 114.554 -0.003 0.000 2.884 103 T HA 0.261 4.638 4.350 0.046 0.000 0.298 103 T C 0.493 175.196 174.700 0.004 0.000 0.998 103 T CA -0.111 61.987 62.100 -0.003 0.000 1.124 103 T CB -0.055 68.809 68.868 -0.007 0.000 0.931 103 T HN 0.178 nan 8.240 nan 0.000 0.531 104 L N 3.668 124.895 121.223 0.007 0.000 2.334 104 L HA 0.300 4.667 4.340 0.046 0.000 0.277 104 L C 1.424 178.310 176.870 0.028 0.000 1.075 104 L CA -0.799 54.051 54.840 0.018 0.000 0.804 104 L CB 0.813 42.885 42.059 0.022 0.000 1.174 104 L HN 0.503 nan 8.230 nan 0.000 0.438 105 L N 2.340 123.583 121.223 0.033 0.000 2.131 105 L HA -0.191 4.176 4.340 0.046 0.000 0.210 105 L C 2.289 179.199 176.870 0.066 0.000 1.092 105 L CA 1.672 56.538 54.840 0.043 0.000 0.759 105 L CB -0.610 41.471 42.059 0.038 0.000 0.903 105 L HN 0.792 nan 8.230 nan 0.000 0.435 106 E N -1.505 118.738 120.200 0.072 0.000 2.516 106 E HA -0.160 4.218 4.350 0.046 0.000 0.199 106 E C 0.121 176.823 176.600 0.170 0.000 1.069 106 E CA 0.196 56.666 56.400 0.117 0.000 0.876 106 E CB -0.525 29.236 29.700 0.102 0.000 0.843 106 E HN 0.362 nan 8.360 nan 0.000 0.530 107 D N 1.155 121.612 120.400 0.095 0.000 2.470 107 D HA -0.025 4.642 4.640 0.046 0.000 0.226 107 D C 0.478 176.800 176.300 0.037 0.000 1.196 107 D CA -0.593 53.421 54.000 0.023 0.000 0.979 107 D CB -0.128 40.653 40.800 -0.033 0.000 1.059 107 D HN 0.289 nan 8.370 nan 0.000 0.515 108 F N 2.101 122.059 119.950 0.014 0.000 2.325 108 F HA 0.053 4.606 4.527 0.042 0.000 0.299 108 F C 1.595 177.407 175.800 0.021 0.000 1.090 108 F CA 0.241 58.252 58.000 0.019 0.000 1.392 108 F CB -0.650 38.361 39.000 0.018 0.000 1.053 108 F HN 0.186 nan 8.300 nan 0.000 0.521 109 I N 0.372 120.530 120.570 -0.686 0.000 2.233 109 I HA -0.197 4.001 4.170 0.046 0.000 0.243 109 I C 2.481 178.487 176.117 -0.185 0.000 1.093 109 I CA 1.052 62.072 61.300 -0.466 0.000 1.380 109 I CB -0.549 37.114 38.000 -0.562 0.000 1.067 109 I HN 0.275 nan 8.210 nan 0.000 0.413 110 L N 1.143 122.272 121.223 -0.157 0.000 2.012 110 L HA -0.199 4.169 4.340 0.046 0.000 0.210 110 L C 2.642 179.503 176.870 -0.016 0.000 1.073 110 L CA 1.883 56.678 54.840 -0.075 0.000 0.748 110 L CB -0.533 41.488 42.059 -0.063 0.000 0.891 110 L HN 0.048 nan 8.230 nan 0.000 0.431 111 R N -0.657 119.854 120.500 0.019 0.000 2.092 111 R HA -0.158 4.210 4.340 0.046 0.000 0.231 111 R C 2.298 178.655 176.300 0.095 0.000 1.119 111 R CA 1.380 57.519 56.100 0.066 0.000 0.970 111 R CB -0.372 29.982 30.300 0.089 0.000 0.864 111 R HN 0.574 nan 8.270 nan 0.000 0.440 112 E N 1.274 121.536 120.200 0.103 0.000 2.051 112 E HA -0.254 4.123 4.350 0.046 0.000 0.192 112 E C 1.912 178.587 176.600 0.126 0.000 0.991 112 E CA 1.335 57.812 56.400 0.129 0.000 0.799 112 E CB 0.093 29.876 29.700 0.139 0.000 0.748 112 E HN 0.149 nan 8.360 nan 0.000 0.449 113 K N 0.161 120.604 120.400 0.072 0.000 2.057 113 K HA -0.136 4.211 4.320 0.046 0.000 0.207 113 K C 2.119 178.792 176.600 0.122 0.000 1.049 113 K CA 1.284 57.612 56.287 0.069 0.000 0.931 113 K CB -0.002 32.497 32.500 -0.001 0.000 0.714 113 K HN 0.164 nan 8.250 nan 0.000 0.440 114 I N 1.121 121.745 120.570 0.089 0.000 2.439 114 I HA -0.153 4.044 4.170 0.046 0.000 0.251 114 I C 2.065 178.288 176.117 0.178 0.000 1.139 114 I CA 1.202 62.568 61.300 0.111 0.000 1.438 114 I CB -1.321 36.706 38.000 0.045 0.000 1.085 114 I HN 0.202 nan 8.210 nan 0.000 0.427 115 T N -0.255 114.398 114.554 0.166 0.000 2.746 115 T HA -0.208 4.169 4.350 0.046 0.000 0.267 115 T C 1.959 176.797 174.700 0.230 0.000 1.039 115 T CA 1.347 63.566 62.100 0.199 0.000 1.142 115 T CB -0.403 68.589 68.868 0.207 0.000 0.866 115 T HN 0.330 nan 8.240 nan 0.000 0.444 116 H N 0.021 119.187 119.070 0.160 0.000 2.321 116 H HA -0.071 4.509 4.556 0.040 0.000 0.300 116 H C 2.197 177.585 175.328 0.099 0.000 1.087 116 H CA 1.586 57.715 56.048 0.134 0.000 1.319 116 H CB -0.489 29.331 29.762 0.097 0.000 1.379 116 H HN 0.375 nan 8.280 nan 0.000 0.501 117 F N 2.175 122.187 119.950 0.103 0.000 2.091 117 F HA -0.244 4.222 4.527 -0.101 0.000 0.299 117 F C 2.033 177.775 175.800 -0.098 0.000 1.103 117 F CA 1.996 60.001 58.000 0.008 0.000 1.228 117 F CB -0.401 38.599 39.000 -0.002 0.000 0.984 117 F HN 0.094 nan 8.300 nan 0.000 0.477 118 D N -1.214 119.115 120.400 -0.117 0.000 2.311 118 D HA -0.153 4.515 4.640 0.046 0.000 0.212 118 D C 1.166 177.050 176.300 -0.694 0.000 0.972 118 D CA 1.247 55.001 54.000 -0.410 0.000 0.887 118 D CB -0.365 40.173 40.800 -0.436 0.000 0.915 118 D HN 0.511 nan 8.370 nan 0.000 0.497 119 H N -0.599 118.357 119.070 -0.191 0.000 2.510 119 H HA 0.225 4.871 4.556 0.149 0.000 0.266 119 H C 0.930 176.099 175.328 -0.264 0.000 1.146 119 H CA -0.120 55.810 56.048 -0.197 0.000 0.993 119 H CB 0.488 30.152 29.762 -0.164 0.000 1.727 119 H HN 0.251 nan 8.280 nan 0.000 0.590 120 E N 0.674 120.708 120.200 -0.275 0.000 2.150 120 E HA -0.048 4.330 4.350 0.046 0.000 0.193 120 E C 0.500 176.939 176.600 -0.267 0.000 0.985 120 E CA 0.601 56.809 56.400 -0.319 0.000 0.814 120 E CB 0.455 29.934 29.700 -0.367 0.000 0.752 120 E HN 0.141 nan 8.360 nan 0.000 0.466 121 R N 1.106 121.511 120.500 -0.158 0.000 2.404 121 R HA 0.386 4.753 4.340 0.046 0.000 0.291 121 R C 0.396 176.731 176.300 0.059 0.000 1.025 121 R CA -0.315 55.765 56.100 -0.033 0.000 0.991 121 R CB 0.785 31.057 30.300 -0.047 0.000 1.053 121 R HN 0.155 nan 8.270 nan 0.000 0.479 122 I N -1.113 119.554 120.570 0.162 0.000 2.957 122 I HA 0.609 4.806 4.170 0.046 0.000 0.310 122 I C -2.251 173.926 176.117 0.100 0.000 1.063 122 I CA -2.948 58.436 61.300 0.140 0.000 1.033 122 I CB 1.889 40.004 38.000 0.191 0.000 1.230 122 I HN 0.235 nan 8.210 nan 0.000 0.447 123 P HA 0.096 nan 4.420 nan 0.000 0.266 123 P C -0.892 176.438 177.300 0.050 0.000 1.195 123 P CA -0.045 63.081 63.100 0.043 0.000 0.768 123 P CB 0.430 32.144 31.700 0.023 0.000 0.838 124 E N 2.640 122.872 120.200 0.054 0.000 2.369 124 E HA 0.220 4.598 4.350 0.046 0.000 0.255 124 E C -0.441 176.186 176.600 0.045 0.000 1.172 124 E CA -0.864 55.574 56.400 0.062 0.000 0.932 124 E CB 0.628 30.371 29.700 0.072 0.000 1.040 124 E HN 0.255 nan 8.360 nan 0.000 0.454 125 R N 0.508 121.041 120.500 0.055 0.000 2.679 125 R HA 0.013 4.381 4.340 0.046 0.000 0.268 125 R C 1.261 177.596 176.300 0.058 0.000 1.044 125 R CA -0.442 55.687 56.100 0.050 0.000 1.105 125 R CB 0.289 30.638 30.300 0.082 0.000 0.989 125 R HN 0.568 nan 8.270 nan 0.000 0.447 126 I N 1.720 122.319 120.570 0.048 0.000 2.286 126 I HA -0.123 4.074 4.170 0.046 0.000 0.248 126 I C 1.167 177.336 176.117 0.087 0.000 1.115 126 I CA 1.469 62.805 61.300 0.061 0.000 1.392 126 I CB -0.940 37.099 38.000 0.065 0.000 1.065 126 I HN 0.395 nan 8.210 nan 0.000 0.418 127 V N -3.482 116.519 119.914 0.144 0.000 3.130 127 V HA 0.505 4.652 4.120 0.046 0.000 0.310 127 V C 0.358 176.622 176.094 0.283 0.000 1.158 127 V CA -0.899 61.514 62.300 0.189 0.000 1.029 127 V CB 1.766 33.780 31.823 0.318 0.000 1.057 127 V HN 0.417 nan 8.190 nan 0.000 0.436 128 H N 0.222 119.359 119.070 0.113 0.000 2.820 128 H HA -0.232 4.351 4.556 0.045 0.000 0.295 128 H C 1.553 176.932 175.328 0.085 0.000 1.187 128 H CA 0.745 56.853 56.048 0.099 0.000 1.144 128 H CB -1.206 28.604 29.762 0.079 0.000 1.354 128 H HN 1.167 nan 8.280 nan 0.000 0.395 129 A N 0.743 123.653 122.820 0.150 0.000 2.019 129 A HA -0.110 4.237 4.320 0.046 0.000 0.219 129 A C 1.679 179.356 177.584 0.155 0.000 1.164 129 A CA 1.337 53.453 52.037 0.132 0.000 0.644 129 A CB -0.073 18.982 19.000 0.092 0.000 0.805 129 A HN 0.290 nan 8.150 nan 0.000 0.449 130 R N -0.033 120.558 120.500 0.152 0.000 2.229 130 R HA 0.526 4.893 4.340 0.046 0.000 0.328 130 R C -0.106 176.323 176.300 0.216 0.000 1.009 130 R CA 0.741 56.950 56.100 0.181 0.000 0.864 130 R CB 0.444 30.834 30.300 0.149 0.000 1.085 130 R HN 0.363 nan 8.270 nan 0.000 0.453 131 G N 0.775 109.732 108.800 0.262 0.000 2.576 131 G HA2 0.486 4.474 3.960 0.046 0.000 0.290 131 G HA3 0.486 4.474 3.960 0.046 0.000 0.290 131 G C -1.686 173.374 174.900 0.267 0.000 1.442 131 G CA -0.652 44.575 45.100 0.211 0.000 0.792 131 G HN 0.511 nan 8.290 nan 0.000 0.491 132 S N -1.108 114.693 115.700 0.168 0.000 2.547 132 S HA 0.889 5.387 4.470 0.046 0.000 0.281 132 S C -0.218 174.396 174.600 0.023 0.000 1.118 132 S CA -0.096 58.260 58.200 0.260 0.000 0.947 132 S CB 1.745 65.217 63.200 0.454 0.000 1.053 132 S HN 1.709 nan 8.310 nan 0.000 0.482 133 A N 1.472 124.260 122.820 -0.053 0.000 2.469 133 A HA 1.027 5.374 4.320 0.046 0.000 0.299 133 A C -0.911 176.461 177.584 -0.353 0.000 1.098 133 A CA -0.756 51.023 52.037 -0.429 0.000 0.737 133 A CB 1.637 20.227 19.000 -0.683 0.000 1.312 133 A HN 1.391 nan 8.150 nan 0.000 0.414 134 A N 0.731 123.201 122.820 -0.584 0.000 2.594 134 A HA 0.713 5.061 4.320 0.046 0.000 0.295 134 A C -0.997 176.404 177.584 -0.304 0.000 1.071 134 A CA -0.648 51.221 52.037 -0.280 0.000 0.685 134 A CB 0.755 19.677 19.000 -0.130 0.000 1.285 134 A HN 0.881 nan 8.150 nan 0.000 0.405 135 H N -0.192 118.912 119.070 0.058 0.000 2.551 135 H HA 0.636 5.219 4.556 0.045 0.000 0.358 135 H C 0.701 176.039 175.328 0.017 0.000 1.151 135 H CA 1.133 57.276 56.048 0.158 0.000 1.374 135 H CB 1.761 31.607 29.762 0.141 0.000 1.473 135 H HN 1.108 nan 8.280 nan 0.000 0.574 136 G N 0.673 109.575 108.800 0.171 0.000 2.588 136 G HA2 0.363 4.351 3.960 0.046 0.000 0.281 136 G HA3 0.363 4.351 3.960 0.046 0.000 0.281 136 G C -1.979 173.070 174.900 0.248 0.000 1.223 136 G CA -0.562 44.612 45.100 0.124 0.000 0.871 136 G HN 0.636 nan 8.290 nan 0.000 0.492 137 Y N -1.825 118.515 120.300 0.067 0.000 2.609 137 Y HA 0.830 5.407 4.550 0.046 0.000 0.336 137 Y C -1.850 174.190 175.900 0.234 0.000 1.129 137 Y CA -1.906 56.278 58.100 0.139 0.000 1.040 137 Y CB 1.828 40.340 38.460 0.087 0.000 1.310 137 Y HN 0.833 nan 8.280 nan 0.000 0.460 138 F N 2.108 122.173 119.950 0.192 0.000 2.576 138 F HA 0.709 5.264 4.527 0.046 0.000 0.313 138 F C -1.292 174.683 175.800 0.293 0.000 1.078 138 F CA -0.605 57.519 58.000 0.207 0.000 0.921 138 F CB 2.428 41.709 39.000 0.468 0.000 1.232 138 F HN 0.805 nan 8.300 nan 0.000 0.459 139 Q N 6.642 125.870 119.800 -0.954 0.000 2.309 139 Q HA 0.484 4.852 4.340 0.046 0.000 0.273 139 Q C -2.987 172.356 176.000 -1.095 0.000 1.040 139 Q CA -2.317 53.091 55.803 -0.658 0.000 0.834 139 Q CB 3.152 31.788 28.738 -0.170 0.000 1.345 139 Q HN 0.360 nan 8.270 nan 0.000 0.414 140 P HA 0.071 nan 4.420 nan 0.000 0.276 140 P C -0.443 176.699 177.300 -0.264 0.000 1.244 140 P CA 0.030 62.868 63.100 -0.435 0.000 0.801 140 P CB 0.654 32.284 31.700 -0.116 0.000 1.006 141 Y N 0.653 120.888 120.300 -0.108 0.000 2.263 141 Y HA -0.071 4.507 4.550 0.046 0.000 0.292 141 Y C 1.539 177.409 175.900 -0.049 0.000 1.130 141 Y CA 0.639 58.698 58.100 -0.068 0.000 1.179 141 Y CB 0.161 38.590 38.460 -0.053 0.000 0.998 141 Y HN 0.362 nan 8.280 nan 0.000 0.532 142 K N -1.039 119.417 120.400 0.095 0.000 2.522 142 K HA 0.417 4.764 4.320 0.046 0.000 0.275 142 K C -0.846 175.755 176.600 0.002 0.000 1.006 142 K CA -0.974 55.338 56.287 0.042 0.000 0.890 142 K CB 1.574 34.100 32.500 0.043 0.000 1.475 142 K HN -0.246 nan 8.250 nan 0.000 0.441 143 S N 0.653 116.352 115.700 -0.002 0.000 2.549 143 S HA 0.119 4.617 4.470 0.046 0.000 0.286 143 S C 0.406 174.991 174.600 -0.025 0.000 1.314 143 S CA -0.566 57.623 58.200 -0.018 0.000 1.062 143 S CB -0.203 62.991 63.200 -0.010 0.000 0.865 143 S HN 0.545 nan 8.310 nan 0.000 0.498 144 L N 4.780 125.976 121.223 -0.045 0.000 2.928 144 L HA 0.137 4.504 4.340 0.046 0.000 0.246 144 L C 1.988 178.839 176.870 -0.032 0.000 1.239 144 L CA -0.034 54.786 54.840 -0.033 0.000 1.035 144 L CB -0.197 41.843 42.059 -0.032 0.000 1.360 144 L HN 0.867 nan 8.230 nan 0.000 0.529 145 S N -1.852 113.829 115.700 -0.033 0.000 2.442 145 S HA -0.182 4.315 4.470 0.046 0.000 0.236 145 S C 1.256 175.838 174.600 -0.030 0.000 1.007 145 S CA 1.060 59.240 58.200 -0.034 0.000 0.965 145 S CB -0.138 63.047 63.200 -0.026 0.000 0.773 145 S HN 0.395 nan 8.310 nan 0.000 0.504 146 D N 1.987 122.375 120.400 -0.021 0.000 2.264 146 D HA 0.009 4.676 4.640 0.046 0.000 0.208 146 D C 1.792 178.076 176.300 -0.028 0.000 0.966 146 D CA 1.404 55.392 54.000 -0.020 0.000 0.864 146 D CB -0.183 40.610 40.800 -0.011 0.000 0.933 146 D HN 0.817 nan 8.370 nan 0.000 0.499 147 I N -4.287 116.268 120.570 -0.026 0.000 4.312 147 I HA 0.223 4.421 4.170 0.046 0.000 0.324 147 I C 0.410 176.489 176.117 -0.064 0.000 1.298 147 I CA -0.004 61.274 61.300 -0.037 0.000 1.231 147 I CB 1.202 39.201 38.000 -0.001 0.000 1.152 147 I HN -0.252 nan 8.210 nan 0.000 0.421 148 T N 1.679 116.197 114.554 -0.059 0.000 2.956 148 T HA 0.322 4.699 4.350 0.046 0.000 0.312 148 T C -0.076 174.573 174.700 -0.085 0.000 1.151 148 T CA -0.708 61.338 62.100 -0.089 0.000 1.024 148 T CB 1.770 70.578 68.868 -0.100 0.000 1.140 148 T HN 0.421 nan 8.240 nan 0.000 0.473 149 K N 2.547 122.895 120.400 -0.087 0.000 2.476 149 K HA 0.558 4.906 4.320 0.046 0.000 0.196 149 K C 0.698 177.261 176.600 -0.061 0.000 1.025 149 K CA -0.363 55.884 56.287 -0.066 0.000 1.138 149 K CB 0.167 32.634 32.500 -0.055 0.000 0.860 149 K HN 0.489 nan 8.250 nan 0.000 0.515 150 A N 2.016 124.778 122.820 -0.096 0.000 2.522 150 A HA -0.050 4.298 4.320 0.046 0.000 0.256 150 A C 0.567 178.116 177.584 -0.058 0.000 1.086 150 A CA 0.023 52.015 52.037 -0.075 0.000 0.763 150 A CB 0.106 19.005 19.000 -0.167 0.000 1.024 150 A HN 0.472 nan 8.150 nan 0.000 0.502 151 D N 2.125 122.562 120.400 0.062 0.000 2.144 151 D HA -0.228 4.439 4.640 0.046 0.000 0.199 151 D C 1.365 177.732 176.300 0.113 0.000 0.984 151 D CA 2.258 56.307 54.000 0.082 0.000 0.834 151 D CB -0.234 40.640 40.800 0.124 0.000 0.955 151 D HN 0.736 nan 8.370 nan 0.000 0.465 152 F N -0.576 119.397 119.950 0.039 0.000 2.546 152 F HA 0.134 4.689 4.527 0.047 0.000 0.298 152 F C 1.098 176.988 175.800 0.149 0.000 1.120 152 F CA 0.431 58.494 58.000 0.104 0.000 1.456 152 F CB -0.280 38.778 39.000 0.096 0.000 1.088 152 F HN -0.068 nan 8.300 nan 0.000 0.572 153 L N 0.930 121.813 121.223 -0.565 0.000 2.741 153 L HA 0.194 4.562 4.340 0.046 0.000 0.237 153 L C 1.754 178.526 176.870 -0.163 0.000 1.178 153 L CA 0.315 54.911 54.840 -0.407 0.000 0.973 153 L CB -0.209 41.503 42.059 -0.578 0.000 1.255 153 L HN 0.334 nan 8.230 nan 0.000 0.498 154 S N -2.746 112.906 115.700 -0.080 0.000 2.517 154 S HA 0.082 4.580 4.470 0.046 0.000 0.214 154 S C 0.343 174.937 174.600 -0.011 0.000 0.991 154 S CA -0.236 57.941 58.200 -0.039 0.000 0.906 154 S CB 0.243 63.434 63.200 -0.014 0.000 0.789 154 S HN 0.320 nan 8.310 nan 0.000 0.513 155 D N 0.852 121.255 120.400 0.004 0.000 2.861 155 D HA 0.288 4.956 4.640 0.046 0.000 0.216 155 D C -2.549 173.764 176.300 0.021 0.000 1.323 155 D CA -1.668 52.343 54.000 0.018 0.000 0.917 155 D CB 2.185 43.005 40.800 0.033 0.000 1.582 155 D HN -0.141 nan 8.370 nan 0.000 0.576 156 P HA -0.056 nan 4.420 nan 0.000 0.225 156 P C 0.474 177.789 177.300 0.025 0.000 1.148 156 P CA 0.507 63.616 63.100 0.015 0.000 0.779 156 P CB 0.503 32.221 31.700 0.031 0.000 0.780 157 N N -0.148 118.573 118.700 0.034 0.000 2.398 157 N HA -0.012 4.755 4.740 0.046 0.000 0.188 157 N C 0.716 176.260 175.510 0.056 0.000 1.122 157 N CA 0.391 53.465 53.050 0.040 0.000 0.866 157 N CB -0.032 38.474 38.487 0.033 0.000 0.970 157 N HN 0.293 nan 8.380 nan 0.000 0.462 158 K N 1.598 122.041 120.400 0.071 0.000 2.285 158 K HA 0.208 4.555 4.320 0.046 0.000 0.286 158 K C -0.503 176.190 176.600 0.155 0.000 1.072 158 K CA -0.434 55.919 56.287 0.110 0.000 0.913 158 K CB 0.395 32.971 32.500 0.127 0.000 1.067 158 K HN 0.023 nan 8.250 nan 0.000 0.479 159 I N 1.789 122.456 120.570 0.161 0.000 2.354 159 I HA 0.317 4.515 4.170 0.046 0.000 0.292 159 I C -0.947 175.341 176.117 0.285 0.000 0.989 159 I CA 0.151 61.581 61.300 0.216 0.000 1.188 159 I CB 2.158 40.248 38.000 0.151 0.000 1.342 159 I HN 0.350 nan 8.210 nan 0.000 0.457 160 T N 8.202 123.011 114.554 0.425 0.000 2.770 160 T HA 0.501 4.879 4.350 0.046 0.000 0.283 160 T C -2.569 172.394 174.700 0.439 0.000 0.988 160 T CA -1.082 61.293 62.100 0.458 0.000 0.957 160 T CB 1.299 70.547 68.868 0.633 0.000 0.930 160 T HN 0.460 nan 8.240 nan 0.000 0.443 161 P HA 0.281 nan 4.420 nan 0.000 0.271 161 P C -0.683 176.853 177.300 0.394 0.000 1.218 161 P CA -0.449 62.844 63.100 0.323 0.000 0.780 161 P CB 0.582 32.397 31.700 0.191 0.000 0.901 162 V N -0.200 119.890 119.914 0.294 0.000 3.040 162 V HA 0.740 4.887 4.120 0.046 0.000 0.312 162 V C -1.308 174.941 176.094 0.258 0.000 1.115 162 V CA -0.944 61.428 62.300 0.120 0.000 0.998 162 V CB 2.230 33.910 31.823 -0.238 0.000 1.042 162 V HN 0.325 nan 8.190 nan 0.000 0.433 163 F N 2.049 121.978 119.950 -0.036 0.000 2.536 163 F HA 0.831 5.385 4.527 0.045 0.000 0.322 163 F C -0.939 174.770 175.800 -0.151 0.000 1.144 163 F CA -0.765 57.164 58.000 -0.117 0.000 0.924 163 F CB 1.956 40.917 39.000 -0.065 0.000 1.181 163 F HN 0.515 nan 8.300 nan 0.000 0.438 164 V N 6.714 126.157 119.914 -0.786 0.000 2.495 164 V HA 0.561 4.709 4.120 0.046 0.000 0.298 164 V C -0.616 174.807 176.094 -1.118 0.000 1.031 164 V CA -0.810 60.958 62.300 -0.888 0.000 0.871 164 V CB 1.918 33.152 31.823 -0.981 0.000 0.988 164 V HN 0.730 nan 8.190 nan 0.000 0.432 165 R N 3.771 123.606 120.500 -1.108 0.000 2.437 165 R HA 0.626 4.994 4.340 0.046 0.000 0.310 165 R C -1.580 174.107 176.300 -1.022 0.000 0.955 165 R CA -0.422 55.124 56.100 -0.923 0.000 0.851 165 R CB 1.129 31.054 30.300 -0.625 0.000 1.161 165 R HN 0.552 nan 8.270 nan 0.000 0.446 166 F N 1.999 121.527 119.950 -0.702 0.000 2.425 166 F HA 0.496 5.051 4.527 0.045 0.000 0.331 166 F C 0.400 175.847 175.800 -0.588 0.000 1.085 166 F CA -0.256 57.210 58.000 -0.889 0.000 1.028 166 F CB 2.166 40.129 39.000 -1.729 0.000 1.177 166 F HN 0.587 nan 8.300 nan 0.000 0.487 167 S N -0.958 114.677 115.700 -0.108 0.000 2.625 167 S HA 0.632 5.130 4.470 0.046 0.000 0.271 167 S C -0.520 174.218 174.600 0.231 0.000 1.161 167 S CA -0.952 57.323 58.200 0.125 0.000 0.820 167 S CB 1.389 64.714 63.200 0.208 0.000 1.137 167 S HN 0.698 nan 8.310 nan 0.000 0.470 168 T N -1.435 113.253 114.554 0.222 0.000 2.865 168 T HA 0.642 5.019 4.350 0.046 0.000 0.302 168 T C 0.824 175.482 174.700 -0.070 0.000 1.078 168 T CA -0.092 62.092 62.100 0.140 0.000 0.942 168 T CB 0.165 69.122 68.868 0.148 0.000 1.387 168 T HN 0.591 nan 8.240 nan 0.000 0.557 169 V N -0.234 119.596 119.914 -0.141 0.000 3.058 169 V HA 0.128 4.275 4.120 0.046 0.000 0.233 169 V C 2.731 178.749 176.094 -0.127 0.000 1.255 169 V CA 0.290 62.380 62.300 -0.350 0.000 1.267 169 V CB -0.271 31.442 31.823 -0.184 0.000 1.049 169 V HN 0.854 nan 8.190 nan 0.000 0.486 170 Q N 1.078 120.842 119.800 -0.062 0.000 2.062 170 Q HA 0.072 4.440 4.340 0.046 0.000 0.196 170 Q C 1.281 177.257 176.000 -0.041 0.000 0.967 170 Q CA 1.425 57.190 55.803 -0.063 0.000 0.832 170 Q CB -0.163 28.523 28.738 -0.087 0.000 0.899 170 Q HN 0.587 nan 8.270 nan 0.000 0.442 171 G N -0.273 108.517 108.800 -0.017 0.000 2.599 171 G HA2 0.410 4.398 3.960 0.046 0.000 0.264 171 G HA3 0.410 4.398 3.960 0.046 0.000 0.264 171 G C 0.082 174.987 174.900 0.009 0.000 1.200 171 G CA 0.033 45.127 45.100 -0.011 0.000 0.896 171 G HN 0.336 nan 8.290 nan 0.000 0.536 172 G N -1.322 107.480 108.800 0.003 0.000 2.651 172 G HA2 0.471 4.459 3.960 0.046 0.000 0.260 172 G HA3 0.471 4.459 3.960 0.046 0.000 0.260 172 G C 1.330 176.260 174.900 0.049 0.000 1.216 172 G CA 0.457 45.569 45.100 0.020 0.000 0.913 172 G HN 1.069 nan 8.290 nan 0.000 0.535 173 A N -0.614 122.246 122.820 0.067 0.000 2.019 173 A HA 0.108 4.456 4.320 0.046 0.000 0.219 173 A C 2.233 179.857 177.584 0.067 0.000 1.164 173 A CA 2.011 54.108 52.037 0.100 0.000 0.644 173 A CB -0.381 18.695 19.000 0.126 0.000 0.805 173 A HN 1.117 nan 8.150 nan 0.000 0.449 174 G N -0.254 108.566 108.800 0.033 0.000 3.284 174 G HA2 0.324 4.312 3.960 0.046 0.000 0.236 174 G HA3 0.324 4.312 3.960 0.046 0.000 0.236 174 G C 0.735 175.636 174.900 0.001 0.000 1.158 174 G CA 0.662 45.766 45.100 0.006 0.000 0.774 174 G HN 0.666 nan 8.290 nan 0.000 0.545 175 S N -0.122 115.587 115.700 0.015 0.000 2.641 175 S HA 0.713 5.211 4.470 0.046 0.000 0.261 175 S C 0.475 175.088 174.600 0.022 0.000 1.257 175 S CA -0.034 58.171 58.200 0.009 0.000 0.983 175 S CB 1.489 64.694 63.200 0.009 0.000 0.990 175 S HN 0.570 nan 8.310 nan 0.000 0.572 176 A N 0.092 122.920 122.820 0.013 0.000 2.302 176 A HA 0.462 4.810 4.320 0.046 0.000 0.285 176 A C 0.568 178.170 177.584 0.029 0.000 1.105 176 A CA -0.629 51.411 52.037 0.006 0.000 0.816 176 A CB 0.039 19.026 19.000 -0.022 0.000 1.067 176 A HN 0.854 nan 8.150 nan 0.000 0.489 177 D N 0.470 120.875 120.400 0.010 0.000 2.137 177 D HA -0.058 4.610 4.640 0.046 0.000 0.202 177 D C 1.557 177.820 176.300 -0.063 0.000 0.970 177 D CA 2.239 56.252 54.000 0.022 0.000 0.837 177 D CB -0.179 40.589 40.800 -0.054 0.000 0.981 177 D HN 0.668 nan 8.370 nan 0.000 0.475 178 T N -0.152 114.291 114.554 -0.186 0.000 3.332 178 T HA 0.294 4.671 4.350 0.046 0.000 0.246 178 T C 0.817 175.496 174.700 -0.035 0.000 0.943 178 T CA -0.584 61.401 62.100 -0.192 0.000 0.922 178 T CB -0.903 67.776 68.868 -0.314 0.000 1.086 178 T HN -0.080 nan 8.240 nan 0.000 0.590 179 V N -1.120 118.823 119.914 0.048 0.000 3.237 179 V HA 0.370 4.518 4.120 0.046 0.000 0.305 179 V C 0.768 176.996 176.094 0.224 0.000 1.096 179 V CA -1.321 61.057 62.300 0.131 0.000 1.130 179 V CB 0.270 32.160 31.823 0.112 0.000 1.048 179 V HN 0.580 nan 8.190 nan 0.000 0.484 180 R N 1.915 122.611 120.500 0.327 0.000 2.248 180 R HA 0.431 4.799 4.340 0.046 0.000 0.328 180 R C -0.862 175.522 176.300 0.139 0.000 1.067 180 R CA 0.026 56.272 56.100 0.245 0.000 0.924 180 R CB 0.061 30.451 30.300 0.150 0.000 1.013 180 R HN 1.068 nan 8.270 nan 0.000 0.454 181 D N 3.312 123.805 120.400 0.155 0.000 2.755 181 D HA 0.160 4.827 4.640 0.046 0.000 0.277 181 D C -0.565 175.854 176.300 0.197 0.000 1.261 181 D CA -0.625 53.456 54.000 0.136 0.000 0.759 181 D CB 1.119 41.987 40.800 0.113 0.000 1.279 181 D HN 0.213 nan 8.370 nan 0.000 0.420 182 I N 1.309 122.018 120.570 0.233 0.000 2.938 182 I HA 0.207 4.405 4.170 0.046 0.000 0.285 182 I C 0.861 177.124 176.117 0.243 0.000 1.182 182 I CA 0.026 61.478 61.300 0.253 0.000 1.388 182 I CB 0.010 38.201 38.000 0.318 0.000 1.390 182 I HN 0.266 nan 8.210 nan 0.000 0.600 183 R N 2.567 123.231 120.500 0.273 0.000 2.711 183 R HA 0.565 4.933 4.340 0.046 0.000 0.284 183 R C -0.124 176.370 176.300 0.323 0.000 0.968 183 R CA -0.798 55.476 56.100 0.291 0.000 0.924 183 R CB 1.476 31.965 30.300 0.314 0.000 1.162 183 R HN 0.796 nan 8.270 nan 0.000 0.465 184 G N 0.912 109.919 108.800 0.344 0.000 2.420 184 G HA2 0.483 4.470 3.960 0.046 0.000 0.284 184 G HA3 0.483 4.470 3.960 0.046 0.000 0.284 184 G C -1.289 173.695 174.900 0.139 0.000 1.177 184 G CA -0.068 45.209 45.100 0.295 0.000 0.841 184 G HN 0.343 nan 8.290 nan 0.000 0.527 185 F N 2.100 121.964 119.950 -0.142 0.000 2.902 185 F HA 0.648 5.202 4.527 0.046 0.000 0.368 185 F C -0.208 175.299 175.800 -0.488 0.000 1.202 185 F CA -1.859 55.946 58.000 -0.325 0.000 1.109 185 F CB 1.125 40.048 39.000 -0.128 0.000 1.418 185 F HN 0.657 nan 8.300 nan 0.000 0.527 186 A N 3.442 125.984 122.820 -0.463 0.000 2.303 186 A HA 0.785 5.133 4.320 0.046 0.000 0.320 186 A C -0.668 176.454 177.584 -0.769 0.000 1.192 186 A CA -0.458 51.142 52.037 -0.728 0.000 0.821 186 A CB 0.867 19.104 19.000 -1.271 0.000 1.188 186 A HN 0.542 nan 8.150 nan 0.000 0.492 187 T N 2.328 116.600 114.554 -0.470 0.000 2.809 187 T HA 0.353 4.731 4.350 0.046 0.000 0.284 187 T C -0.333 174.160 174.700 -0.346 0.000 0.992 187 T CA -0.466 61.355 62.100 -0.465 0.000 0.957 187 T CB 1.017 69.534 68.868 -0.584 0.000 0.942 187 T HN 0.631 nan 8.240 nan 0.000 0.439 188 K N 3.776 124.078 120.400 -0.164 0.000 2.263 188 K HA 0.393 4.741 4.320 0.046 0.000 0.282 188 K C -1.163 175.108 176.600 -0.549 0.000 1.089 188 K CA -0.522 55.570 56.287 -0.326 0.000 0.907 188 K CB 0.177 32.432 32.500 -0.408 0.000 1.148 188 K HN 0.390 nan 8.250 nan 0.000 0.470 189 F N 4.157 123.823 119.950 -0.475 0.000 2.411 189 F HA 0.209 4.764 4.527 0.046 0.000 0.355 189 F C -0.301 175.303 175.800 -0.327 0.000 1.117 189 F CA -0.532 57.258 58.000 -0.350 0.000 1.139 189 F CB 0.653 39.351 39.000 -0.503 0.000 1.120 189 F HN 0.438 nan 8.300 nan 0.000 0.493 190 Y N 1.885 122.248 120.300 0.104 0.000 2.714 190 Y HA 0.201 4.779 4.550 0.045 0.000 0.333 190 Y C 1.029 176.992 175.900 0.106 0.000 1.220 190 Y CA -0.876 57.268 58.100 0.072 0.000 1.513 190 Y CB -0.165 38.327 38.460 0.053 0.000 1.435 190 Y HN 0.552 nan 8.280 nan 0.000 0.489 191 T N -2.347 112.310 114.554 0.172 0.000 2.849 191 T HA 0.128 4.506 4.350 0.046 0.000 0.284 191 T C 0.989 175.787 174.700 0.164 0.000 1.004 191 T CA -0.656 61.550 62.100 0.176 0.000 1.021 191 T CB 1.006 69.953 68.868 0.131 0.000 1.013 191 T HN 0.659 nan 8.240 nan 0.000 0.527 192 E N 0.138 120.438 120.200 0.166 0.000 2.478 192 E HA -0.029 4.349 4.350 0.046 0.000 0.198 192 E C 0.954 177.624 176.600 0.116 0.000 1.046 192 E CA 0.619 57.099 56.400 0.132 0.000 0.870 192 E CB 0.117 29.891 29.700 0.123 0.000 0.818 192 E HN 0.744 nan 8.360 nan 0.000 0.527 193 E N 0.239 120.512 120.200 0.121 0.000 2.651 193 E HA 0.266 4.644 4.350 0.046 0.000 0.208 193 E C 0.096 176.749 176.600 0.088 0.000 0.997 193 E CA -0.268 56.195 56.400 0.105 0.000 1.020 193 E CB 1.298 31.062 29.700 0.107 0.000 1.052 193 E HN 0.185 nan 8.360 nan 0.000 0.465 194 G N 1.150 109.997 108.800 0.078 0.000 2.392 194 G HA2 -0.114 3.874 3.960 0.046 0.000 0.677 194 G HA3 -0.114 3.874 3.960 0.046 0.000 0.677 194 G C -0.853 174.061 174.900 0.023 0.000 1.334 194 G CA -1.146 43.977 45.100 0.039 0.000 0.961 194 G HN 0.028 nan 8.290 nan 0.000 0.616 195 I N 0.720 121.266 120.570 -0.039 0.000 2.618 195 I HA 0.321 4.519 4.170 0.046 0.000 0.284 195 I C 0.193 176.324 176.117 0.022 0.000 1.146 195 I CA 0.152 61.401 61.300 -0.086 0.000 1.425 195 I CB 0.551 38.426 38.000 -0.207 0.000 1.383 195 I HN 0.464 nan 8.210 nan 0.000 0.562 196 F N 6.871 126.720 119.950 -0.170 0.000 2.449 196 F HA 0.442 4.997 4.527 0.047 0.000 0.342 196 F C -0.516 175.250 175.800 -0.056 0.000 1.127 196 F CA -1.213 56.685 58.000 -0.170 0.000 0.975 196 F CB 0.764 39.510 39.000 -0.422 0.000 1.146 196 F HN 0.350 nan 8.300 nan 0.000 0.444 197 D N 6.958 127.156 120.400 -0.336 0.000 2.280 197 D HA 0.241 4.909 4.640 0.046 0.000 0.236 197 D C -0.625 175.209 176.300 -0.777 0.000 1.082 197 D CA 0.006 53.764 54.000 -0.403 0.000 0.834 197 D CB 2.322 43.084 40.800 -0.062 0.000 1.100 197 D HN 0.638 nan 8.370 nan 0.000 0.486 198 L N 3.280 124.010 121.223 -0.822 0.000 2.287 198 L HA 0.266 4.633 4.340 0.046 0.000 0.280 198 L C -0.930 175.721 176.870 -0.365 0.000 1.055 198 L CA -0.611 53.828 54.840 -0.668 0.000 0.863 198 L CB 0.614 42.288 42.059 -0.642 0.000 1.245 198 L HN 0.050 nan 8.230 nan 0.000 0.432 199 V N 5.333 125.072 119.914 -0.292 0.000 2.270 199 V HA 0.468 4.616 4.120 0.046 0.000 0.263 199 V C 0.849 176.859 176.094 -0.140 0.000 1.066 199 V CA -0.292 61.855 62.300 -0.256 0.000 0.857 199 V CB 0.483 32.118 31.823 -0.314 0.000 1.099 199 V HN 0.805 nan 8.190 nan 0.000 0.476 200 G N 3.260 111.992 108.800 -0.114 0.000 2.820 200 G HA2 0.685 4.672 3.960 0.046 0.000 0.291 200 G HA3 0.685 4.672 3.960 0.046 0.000 0.291 200 G C -0.837 174.102 174.900 0.066 0.000 1.323 200 G CA -0.575 44.516 45.100 -0.014 0.000 1.055 200 G HN 0.487 nan 8.290 nan 0.000 0.520 201 N N -1.227 117.560 118.700 0.145 0.000 3.038 201 N HA 0.252 5.020 4.740 0.046 0.000 0.307 201 N C 0.182 175.882 175.510 0.318 0.000 1.441 201 N CA -0.728 52.464 53.050 0.235 0.000 0.772 201 N CB 1.288 39.904 38.487 0.215 0.000 1.651 201 N HN 0.524 nan 8.380 nan 0.000 0.593 202 N N -1.253 117.648 118.700 0.336 0.000 2.235 202 N HA 0.016 4.784 4.740 0.046 0.000 0.209 202 N C -0.508 175.278 175.510 0.460 0.000 1.122 202 N CA -0.128 53.176 53.050 0.425 0.000 0.845 202 N CB -0.064 38.644 38.487 0.368 0.000 1.004 202 N HN 0.547 nan 8.380 nan 0.000 0.499 203 T N -3.460 111.185 114.554 0.151 0.000 2.916 203 T HA 0.472 4.849 4.350 0.046 0.000 0.292 203 T C -2.547 171.540 174.700 -1.022 0.000 1.055 203 T CA -1.620 60.117 62.100 -0.605 0.000 1.009 203 T CB 2.953 71.360 68.868 -0.768 0.000 1.118 203 T HN -0.242 nan 8.240 nan 0.000 0.497 204 P HA 0.205 nan 4.420 nan 0.000 0.249 204 P C 0.428 177.200 177.300 -0.880 0.000 1.229 204 P CA 0.096 62.301 63.100 -1.493 0.000 0.788 204 P CB -0.063 30.745 31.700 -1.488 0.000 1.072 205 I N -4.723 115.309 120.570 -0.896 0.000 3.354 205 I HA 0.555 4.753 4.170 0.046 0.000 0.316 205 I C -1.416 174.424 176.117 -0.462 0.000 1.182 205 I CA -1.841 59.082 61.300 -0.628 0.000 0.942 205 I CB 1.441 39.020 38.000 -0.702 0.000 1.299 205 I HN -0.246 nan 8.210 nan 0.000 0.473 206 F N 0.057 119.711 119.950 -0.494 0.000 2.639 206 F HA 0.522 5.077 4.527 0.046 0.000 0.339 206 F C 0.316 175.853 175.800 -0.438 0.000 1.071 206 F CA -0.730 57.010 58.000 -0.433 0.000 0.994 206 F CB 1.986 40.873 39.000 -0.188 0.000 1.341 206 F HN 0.374 nan 8.300 nan 0.000 0.498 207 F N 2.139 121.288 119.950 -1.335 0.000 2.325 207 F HA 0.048 4.602 4.527 0.046 0.000 0.299 207 F C 0.694 176.197 175.800 -0.494 0.000 1.090 207 F CA 0.811 58.243 58.000 -0.946 0.000 1.392 207 F CB -0.139 37.907 39.000 -1.590 0.000 1.053 207 F HN 0.139 nan 8.300 nan 0.000 0.521 208 I N -3.380 117.166 120.570 -0.039 0.000 3.002 208 I HA 0.376 4.573 4.170 0.046 0.000 0.310 208 I C 0.384 176.651 176.117 0.249 0.000 1.087 208 I CA -0.838 60.556 61.300 0.158 0.000 1.017 208 I CB 1.903 40.061 38.000 0.263 0.000 1.226 208 I HN -0.172 nan 8.210 nan 0.000 0.443 209 Q N 0.240 120.184 119.800 0.240 0.000 2.324 209 Q HA 0.152 4.520 4.340 0.046 0.000 0.207 209 Q C -0.307 175.865 176.000 0.288 0.000 0.928 209 Q CA 0.592 56.577 55.803 0.303 0.000 0.890 209 Q CB 0.515 29.494 28.738 0.402 0.000 1.001 209 Q HN 0.638 nan 8.270 nan 0.000 0.517 210 D N -1.137 119.404 120.400 0.235 0.000 2.498 210 D HA 0.312 4.979 4.640 0.046 0.000 0.247 210 D C -0.041 176.383 176.300 0.207 0.000 1.070 210 D CA -0.209 53.899 54.000 0.180 0.000 0.842 210 D CB 1.886 42.766 40.800 0.134 0.000 1.361 210 D HN 0.048 nan 8.370 nan 0.000 0.484 211 A N 3.245 126.157 122.820 0.153 0.000 2.070 211 A HA -0.229 4.119 4.320 0.046 0.000 0.220 211 A C 1.772 179.481 177.584 0.208 0.000 1.159 211 A CA 1.601 53.726 52.037 0.147 0.000 0.656 211 A CB -0.747 18.283 19.000 0.051 0.000 0.800 211 A HN 0.813 nan 8.150 nan 0.000 0.453 212 H N -0.025 119.105 119.070 0.100 0.000 2.489 212 H HA -0.017 4.567 4.556 0.046 0.000 0.295 212 H C 1.545 176.953 175.328 0.133 0.000 1.082 212 H CA 1.847 57.947 56.048 0.088 0.000 1.295 212 H CB 0.063 29.852 29.762 0.045 0.000 1.380 212 H HN 0.406 nan 8.280 nan 0.000 0.548 213 K N -0.686 119.851 120.400 0.228 0.000 2.404 213 K HA -0.024 4.323 4.320 0.046 0.000 0.194 213 K C 1.282 178.026 176.600 0.241 0.000 1.023 213 K CA -0.045 56.371 56.287 0.215 0.000 1.094 213 K CB 0.128 32.809 32.500 0.302 0.000 0.841 213 K HN 0.291 nan 8.250 nan 0.000 0.523 214 F N 2.981 122.991 119.950 0.101 0.000 2.126 214 F HA -0.122 4.432 4.527 0.045 0.000 0.299 214 F C -1.056 174.769 175.800 0.041 0.000 1.096 214 F CA 1.178 59.267 58.000 0.149 0.000 1.255 214 F CB -0.313 38.755 39.000 0.113 0.000 0.997 214 F HN 0.013 nan 8.300 nan 0.000 0.479 215 P HA -0.120 nan 4.420 nan 0.000 0.221 215 P C 0.955 177.939 177.300 -0.526 0.000 1.150 215 P CA 1.542 64.403 63.100 -0.398 0.000 0.800 215 P CB -0.050 31.434 31.700 -0.360 0.000 0.787 216 D N -1.116 119.122 120.400 -0.271 0.000 2.084 216 D HA -0.155 4.513 4.640 0.046 0.000 0.196 216 D C 1.791 177.818 176.300 -0.455 0.000 0.985 216 D CA 1.101 54.981 54.000 -0.201 0.000 0.826 216 D CB -0.809 40.047 40.800 0.093 0.000 0.978 216 D HN 0.173 nan 8.370 nan 0.000 0.456 217 F N 1.869 121.427 119.950 -0.653 0.000 2.113 217 F HA -0.189 4.365 4.527 0.046 0.000 0.297 217 F C 2.227 177.643 175.800 -0.640 0.000 1.103 217 F CA 0.977 58.359 58.000 -1.030 0.000 1.248 217 F CB -0.198 38.464 39.000 -0.565 0.000 0.999 217 F HN -0.262 nan 8.300 nan 0.000 0.475 218 V N 0.599 120.095 119.914 -0.696 0.000 2.332 218 V HA -0.355 3.792 4.120 0.046 0.000 0.248 218 V C 2.320 178.195 176.094 -0.366 0.000 1.055 218 V CA 2.497 64.428 62.300 -0.615 0.000 1.038 218 V CB -1.105 30.378 31.823 -0.567 0.000 0.651 218 V HN 0.488 nan 8.190 nan 0.000 0.450 219 H N -0.323 118.509 119.070 -0.396 0.000 2.353 219 H HA -0.144 4.440 4.556 0.046 0.000 0.300 219 H C 2.356 177.528 175.328 -0.259 0.000 1.090 219 H CA 1.081 56.977 56.048 -0.252 0.000 1.327 219 H CB 0.006 29.669 29.762 -0.164 0.000 1.383 219 H HN 0.488 nan 8.280 nan 0.000 0.508 220 A N 0.480 123.128 122.820 -0.287 0.000 1.877 220 A HA -0.146 4.201 4.320 0.046 0.000 0.216 220 A C 2.547 179.968 177.584 -0.272 0.000 1.186 220 A CA 1.623 53.472 52.037 -0.313 0.000 0.620 220 A CB -0.890 17.784 19.000 -0.542 0.000 0.822 220 A HN 0.305 nan 8.150 nan 0.000 0.443 221 V N -0.087 119.540 119.914 -0.479 0.000 2.591 221 V HA -0.036 4.112 4.120 0.046 0.000 0.249 221 V C 1.064 177.128 176.094 -0.049 0.000 1.053 221 V CA 1.008 63.114 62.300 -0.322 0.000 1.068 221 V CB -0.501 30.939 31.823 -0.639 0.000 0.689 221 V HN 0.371 nan 8.190 nan 0.000 0.462 222 K N 0.767 121.095 120.400 -0.120 0.000 2.187 222 K HA 0.193 4.541 4.320 0.046 0.000 0.247 222 K C -2.255 174.294 176.600 -0.085 0.000 1.019 222 K CA -1.452 54.778 56.287 -0.096 0.000 0.893 222 K CB -0.359 32.075 32.500 -0.110 0.000 1.025 222 K HN 0.178 nan 8.250 nan 0.000 0.500 223 P HA -0.002 nan 4.420 nan 0.000 0.266 223 P C -0.618 176.627 177.300 -0.092 0.000 1.195 223 P CA 0.361 63.333 63.100 -0.213 0.000 0.768 223 P CB 0.372 31.951 31.700 -0.203 0.000 0.838 224 E N 5.209 125.405 120.200 -0.007 0.000 2.413 224 E HA -0.018 4.359 4.350 0.046 0.000 0.263 224 E C -1.282 175.401 176.600 0.138 0.000 1.015 224 E CA -1.196 55.306 56.400 0.168 0.000 0.916 224 E CB 0.144 30.077 29.700 0.388 0.000 0.947 224 E HN 0.423 nan 8.360 nan 0.000 0.440 225 P HA -0.173 nan 4.420 nan 0.000 0.225 225 P C 0.937 178.307 177.300 0.117 0.000 1.156 225 P CA 1.217 64.354 63.100 0.062 0.000 0.787 225 P CB 0.071 31.783 31.700 0.020 0.000 0.802 226 H N -0.494 118.612 119.070 0.060 0.000 2.299 226 H HA -0.082 4.502 4.556 0.047 0.000 0.302 226 H C 1.372 176.798 175.328 0.163 0.000 1.078 226 H CA 1.467 57.538 56.048 0.038 0.000 1.323 226 H CB -1.376 28.336 29.762 -0.084 0.000 1.381 226 H HN 0.284 nan 8.280 nan 0.000 0.498 227 W N -0.038 120.888 121.300 -0.624 0.000 2.870 227 W HA 0.706 5.394 4.660 0.046 0.000 0.358 227 W C 0.463 176.815 176.519 -0.278 0.000 1.043 227 W CA -1.296 55.814 57.345 -0.392 0.000 1.692 227 W CB -0.847 28.360 29.460 -0.422 0.000 1.100 227 W HN 0.463 nan 8.180 nan 0.000 0.557 228 A N 1.318 124.122 122.820 -0.027 0.000 2.610 228 A HA -0.156 4.192 4.320 0.046 0.000 0.299 228 A C -0.371 176.979 177.584 -0.389 0.000 1.487 228 A CA 1.465 53.401 52.037 -0.167 0.000 0.743 228 A CB -2.394 16.534 19.000 -0.120 0.000 1.070 228 A HN 0.473 nan 8.150 nan 0.000 0.439 229 I N 0.556 120.743 120.570 -0.638 0.000 2.647 229 I HA 0.555 4.752 4.170 0.046 0.000 0.295 229 I C -2.463 173.340 176.117 -0.523 0.000 1.078 229 I CA -2.368 58.458 61.300 -0.790 0.000 1.048 229 I CB 2.990 40.022 38.000 -1.613 0.000 1.239 229 I HN 0.224 nan 8.210 nan 0.000 0.421 230 P HA 0.313 nan 4.420 nan 0.000 0.292 230 P C -1.596 175.537 177.300 -0.278 0.000 1.300 230 P CA -0.856 62.022 63.100 -0.369 0.000 0.900 230 P CB 1.799 33.351 31.700 -0.247 0.000 1.139 231 Q N 0.842 120.526 119.800 -0.194 0.000 2.267 231 Q HA 0.489 4.857 4.340 0.046 0.000 0.255 231 Q C 1.085 177.042 176.000 -0.073 0.000 0.923 231 Q CA 1.029 56.755 55.803 -0.130 0.000 0.925 231 Q CB -0.293 28.380 28.738 -0.109 0.000 1.195 231 Q HN 0.827 nan 8.270 nan 0.000 0.417 232 G N 3.255 112.020 108.800 -0.057 0.000 2.160 232 G HA2 -0.280 3.708 3.960 0.046 0.000 0.251 232 G HA3 -0.280 3.708 3.960 0.046 0.000 0.251 232 G C -0.419 174.489 174.900 0.013 0.000 1.008 232 G CA 0.439 45.532 45.100 -0.012 0.000 0.724 232 G HN 0.544 nan 8.290 nan 0.000 0.514 233 Q N -0.943 118.848 119.800 -0.014 0.000 2.315 233 Q HA 0.559 4.926 4.340 0.046 0.000 0.273 233 Q C 0.737 176.740 176.000 0.004 0.000 1.053 233 Q CA -0.142 55.680 55.803 0.032 0.000 0.817 233 Q CB 1.822 30.619 28.738 0.100 0.000 1.326 233 Q HN 0.441 nan 8.270 nan 0.000 0.423 234 S N -0.494 115.112 115.700 -0.157 0.000 2.575 234 S HA 0.186 4.684 4.470 0.046 0.000 0.215 234 S C 0.943 175.478 174.600 -0.108 0.000 0.966 234 S CA -0.004 57.882 58.200 -0.523 0.000 0.911 234 S CB 0.324 62.621 63.200 -1.503 0.000 0.780 234 S HN 0.601 nan 8.310 nan 0.000 0.514 235 A N 2.344 125.300 122.820 0.226 0.000 3.051 235 A HA 0.496 4.844 4.320 0.046 0.000 0.257 235 A C 0.164 177.989 177.584 0.402 0.000 1.785 235 A CA -0.550 51.703 52.037 0.360 0.000 1.420 235 A CB -1.280 17.866 19.000 0.244 0.000 1.063 235 A HN 0.893 nan 8.150 nan 0.000 0.630 236 H N -3.893 115.358 119.070 0.302 0.000 2.990 236 H HA 0.525 5.109 4.556 0.047 0.000 0.336 236 H C -0.293 175.222 175.328 0.312 0.000 1.306 236 H CA -0.774 55.424 56.048 0.250 0.000 1.118 236 H CB 0.345 30.213 29.762 0.177 0.000 1.856 236 H HN 0.043 nan 8.280 nan 0.000 0.538 237 D N 0.059 120.626 120.400 0.278 0.000 2.123 237 D HA -0.175 4.492 4.640 0.046 0.000 0.196 237 D C 2.088 178.439 176.300 0.086 0.000 0.992 237 D CA 2.832 56.931 54.000 0.165 0.000 0.833 237 D CB -0.299 40.574 40.800 0.122 0.000 0.954 237 D HN 0.767 nan 8.370 nan 0.000 0.455 238 T N -1.671 112.921 114.554 0.063 0.000 2.821 238 T HA -0.165 4.213 4.350 0.046 0.000 0.267 238 T C 1.905 176.534 174.700 -0.120 0.000 1.046 238 T CA 0.506 62.617 62.100 0.018 0.000 1.139 238 T CB -0.691 68.235 68.868 0.097 0.000 0.871 238 T HN 0.132 nan 8.240 nan 0.000 0.454 239 F N 0.960 120.584 119.950 -0.543 0.000 2.051 239 F HA 0.053 4.608 4.527 0.046 0.000 0.296 239 F C 1.887 177.418 175.800 -0.449 0.000 1.122 239 F CA 0.876 58.483 58.000 -0.654 0.000 1.201 239 F CB -0.662 37.748 39.000 -0.984 0.000 0.978 239 F HN 0.150 nan 8.300 nan 0.000 0.472 240 W N 0.585 121.830 121.300 -0.093 0.000 2.465 240 W HA -0.103 4.585 4.660 0.046 0.000 0.268 240 W C 2.279 178.721 176.519 -0.129 0.000 1.242 240 W CA 0.966 58.240 57.345 -0.118 0.000 1.248 240 W CB -0.576 28.901 29.460 0.028 0.000 1.118 240 W HN 0.097 nan 8.180 nan 0.000 0.587 241 D N -0.605 119.832 120.400 0.060 0.000 2.084 241 D HA -0.289 4.379 4.640 0.046 0.000 0.194 241 D C 1.869 178.171 176.300 0.002 0.000 0.990 241 D CA 1.473 55.494 54.000 0.035 0.000 0.826 241 D CB -0.543 40.285 40.800 0.048 0.000 0.971 241 D HN 0.199 nan 8.370 nan 0.000 0.453 242 Y N 0.465 120.659 120.300 -0.177 0.000 2.097 242 Y HA -0.228 4.350 4.550 0.047 0.000 0.282 242 Y C 2.307 178.082 175.900 -0.210 0.000 1.152 242 Y CA 1.717 59.704 58.100 -0.189 0.000 1.136 242 Y CB -0.465 37.837 38.460 -0.263 0.000 0.975 242 Y HN -0.112 nan 8.280 nan 0.000 0.498 243 V N 0.241 120.043 119.914 -0.186 0.000 2.282 243 V HA -0.371 3.776 4.120 0.046 0.000 0.249 243 V C 2.604 178.647 176.094 -0.084 0.000 1.057 243 V CA 2.324 64.507 62.300 -0.194 0.000 1.032 243 V CB -1.327 30.291 31.823 -0.341 0.000 0.645 243 V HN 0.677 nan 8.190 nan 0.000 0.447 244 S N -0.162 115.534 115.700 -0.007 0.000 2.419 244 S HA -0.093 4.404 4.470 0.046 0.000 0.233 244 S C 1.723 176.296 174.600 -0.046 0.000 1.016 244 S CA 1.488 59.702 58.200 0.024 0.000 0.974 244 S CB -0.507 62.733 63.200 0.066 0.000 0.786 244 S HN 0.563 nan 8.310 nan 0.000 0.492 245 L N -0.040 121.107 121.223 -0.127 0.000 2.585 245 L HA 0.305 4.673 4.340 0.046 0.000 0.226 245 L C 0.595 177.298 176.870 -0.278 0.000 1.113 245 L CA 0.175 54.913 54.840 -0.169 0.000 0.876 245 L CB 0.021 41.982 42.059 -0.164 0.000 1.072 245 L HN 0.256 nan 8.230 nan 0.000 0.468 246 Q N 0.138 119.728 119.800 -0.349 0.000 3.244 246 Q HA 0.229 4.597 4.340 0.046 0.000 0.249 246 Q C -1.941 173.835 176.000 -0.374 0.000 0.951 246 Q CA -1.453 54.097 55.803 -0.421 0.000 0.740 246 Q CB 1.466 29.831 28.738 -0.622 0.000 1.334 246 Q HN -0.016 nan 8.270 nan 0.000 0.448 247 P HA -0.229 nan 4.420 nan 0.000 0.223 247 P C 1.030 178.006 177.300 -0.540 0.000 1.144 247 P CA 1.186 64.027 63.100 -0.432 0.000 0.783 247 P CB 0.232 31.653 31.700 -0.464 0.000 0.771 248 E N 0.508 120.254 120.200 -0.756 0.000 2.267 248 E HA -0.184 4.193 4.350 0.046 0.000 0.197 248 E C 1.453 177.983 176.600 -0.117 0.000 0.998 248 E CA 1.842 58.031 56.400 -0.352 0.000 0.830 248 E CB -1.321 28.250 29.700 -0.215 0.000 0.751 248 E HN 0.296 nan 8.360 nan 0.000 0.491 249 T N -0.519 113.977 114.554 -0.096 0.000 3.035 249 T HA -0.010 4.367 4.350 0.046 0.000 0.268 249 T C 1.951 176.715 174.700 0.108 0.000 1.109 249 T CA 0.544 62.668 62.100 0.039 0.000 1.119 249 T CB -0.329 68.597 68.868 0.097 0.000 0.900 249 T HN 0.145 nan 8.240 nan 0.000 0.503 250 L N -0.018 121.266 121.223 0.101 0.000 2.083 250 L HA -0.058 4.309 4.340 0.046 0.000 0.209 250 L C 2.844 179.876 176.870 0.269 0.000 1.083 250 L CA 1.706 56.682 54.840 0.227 0.000 0.752 250 L CB -0.782 41.416 42.059 0.232 0.000 0.899 250 L HN 0.459 nan 8.230 nan 0.000 0.433 251 H N 0.153 119.257 119.070 0.057 0.000 2.267 251 H HA -0.233 4.351 4.556 0.046 0.000 0.297 251 H C 2.169 177.480 175.328 -0.029 0.000 1.080 251 H CA 1.997 58.073 56.048 0.046 0.000 1.278 251 H CB 0.162 29.911 29.762 -0.021 0.000 1.365 251 H HN 0.359 nan 8.280 nan 0.000 0.489 252 N N -0.185 118.308 118.700 -0.345 0.000 2.244 252 N HA -0.133 4.635 4.740 0.046 0.000 0.183 252 N C 1.976 177.287 175.510 -0.332 0.000 1.016 252 N CA 0.743 53.363 53.050 -0.716 0.000 0.866 252 N CB 0.232 37.785 38.487 -1.556 0.000 0.980 252 N HN 0.120 nan 8.380 nan 0.000 0.430 253 V N 1.659 121.614 119.914 0.068 0.000 2.332 253 V HA -0.266 3.881 4.120 0.046 0.000 0.248 253 V C 2.476 178.714 176.094 0.240 0.000 1.055 253 V CA 1.288 63.807 62.300 0.364 0.000 1.038 253 V CB -0.359 31.745 31.823 0.469 0.000 0.651 253 V HN 0.418 nan 8.190 nan 0.000 0.450 254 M N -1.746 118.018 119.600 0.274 0.000 2.080 254 M HA -0.213 4.295 4.480 0.046 0.000 0.260 254 M C 2.078 178.372 176.300 -0.009 0.000 1.068 254 M CA 1.925 57.385 55.300 0.268 0.000 1.109 254 M CB -1.175 31.620 32.600 0.326 0.000 1.342 254 M HN 0.472 nan 8.290 nan 0.000 0.405 255 W N 0.533 121.573 121.300 -0.433 0.000 2.355 255 W HA -0.094 4.594 4.660 0.046 0.000 0.309 255 W C 2.821 179.272 176.519 -0.114 0.000 1.206 255 W CA 1.876 58.936 57.345 -0.474 0.000 1.284 255 W CB -1.076 28.034 29.460 -0.583 0.000 1.145 255 W HN 0.288 nan 8.180 nan 0.000 0.502 256 A N -0.678 122.227 122.820 0.143 0.000 1.933 256 A HA -0.195 4.153 4.320 0.046 0.000 0.218 256 A C 1.944 179.581 177.584 0.089 0.000 1.175 256 A CA 1.783 53.913 52.037 0.153 0.000 0.628 256 A CB -0.583 18.559 19.000 0.237 0.000 0.814 256 A HN 0.114 nan 8.150 nan 0.000 0.444 257 M N 0.527 120.136 119.600 0.014 0.000 2.447 257 M HA 0.025 4.532 4.480 0.046 0.000 0.264 257 M C 1.519 177.856 176.300 0.061 0.000 1.095 257 M CA 0.807 56.048 55.300 -0.098 0.000 1.125 257 M CB -1.330 30.937 32.600 -0.555 0.000 1.389 257 M HN 0.553 nan 8.290 nan 0.000 0.459 258 S N 0.281 116.080 115.700 0.165 0.000 2.626 258 S HA 0.064 4.562 4.470 0.046 0.000 0.257 258 S C 0.787 175.518 174.600 0.217 0.000 1.288 258 S CA -0.330 58.008 58.200 0.231 0.000 0.980 258 S CB 0.912 64.293 63.200 0.301 0.000 0.975 258 S HN 0.192 nan 8.310 nan 0.000 0.577 259 D N 0.135 120.685 120.400 0.249 0.000 2.348 259 D HA 0.040 4.707 4.640 0.046 0.000 0.216 259 D C 1.947 178.397 176.300 0.249 0.000 0.970 259 D CA 0.318 54.488 54.000 0.284 0.000 0.889 259 D CB -0.162 40.875 40.800 0.395 0.000 0.912 259 D HN 0.391 nan 8.370 nan 0.000 0.524 260 R N 0.274 120.911 120.500 0.227 0.000 2.139 260 R HA -0.087 4.280 4.340 0.046 0.000 0.243 260 R C 2.033 178.492 176.300 0.264 0.000 1.145 260 R CA 1.114 57.371 56.100 0.262 0.000 0.976 260 R CB -0.846 29.666 30.300 0.354 0.000 0.866 260 R HN 0.176 nan 8.270 nan 0.000 0.449 261 G N 1.255 110.198 108.800 0.238 0.000 2.848 261 G HA2 0.001 3.988 3.960 0.046 0.000 0.208 261 G HA3 0.001 3.988 3.960 0.046 0.000 0.208 261 G C 0.992 176.035 174.900 0.239 0.000 1.152 261 G CA 0.041 45.275 45.100 0.224 0.000 0.789 261 G HN 0.415 nan 8.290 nan 0.000 0.531 262 I N -1.985 118.736 120.570 0.252 0.000 2.926 262 I HA 0.360 4.557 4.170 0.046 0.000 0.295 262 I C -2.873 173.398 176.117 0.257 0.000 1.463 262 I CA -2.637 58.817 61.300 0.257 0.000 0.892 262 I CB 1.728 39.884 38.000 0.259 0.000 1.874 262 I HN -0.264 nan 8.210 nan 0.000 0.620 263 P HA 0.097 nan 4.420 nan 0.000 0.269 263 P C 0.542 177.979 177.300 0.228 0.000 1.215 263 P CA -0.197 63.014 63.100 0.185 0.000 0.780 263 P CB 1.201 32.949 31.700 0.080 0.000 0.898 264 R N 1.549 122.157 120.500 0.180 0.000 2.115 264 R HA 0.037 4.404 4.340 0.046 0.000 0.230 264 R C 0.425 176.852 176.300 0.210 0.000 1.111 264 R CA 1.426 57.675 56.100 0.248 0.000 0.976 264 R CB -0.410 30.004 30.300 0.190 0.000 0.870 264 R HN 0.538 nan 8.270 nan 0.000 0.445 265 S N -2.698 112.925 115.700 -0.128 0.000 2.552 265 S HA 0.233 4.731 4.470 0.046 0.000 0.272 265 S C -0.390 173.878 174.600 -0.555 0.000 1.150 265 S CA -0.866 57.098 58.200 -0.395 0.000 0.849 265 S CB 0.201 63.307 63.200 -0.157 0.000 1.113 265 S HN 0.112 nan 8.310 nan 0.000 0.458 266 Y N 2.181 122.097 120.300 -0.639 0.000 2.403 266 Y HA 0.079 4.656 4.550 0.045 0.000 0.291 266 Y C 2.358 177.907 175.900 -0.585 0.000 1.143 266 Y CA 1.026 58.630 58.100 -0.827 0.000 1.257 266 Y CB -0.328 37.233 38.460 -1.499 0.000 0.984 266 Y HN 0.568 nan 8.280 nan 0.000 0.550 267 R N -0.495 119.872 120.500 -0.222 0.000 2.237 267 R HA -0.059 4.309 4.340 0.046 0.000 0.219 267 R C 1.068 177.318 176.300 -0.083 0.000 1.080 267 R CA 1.544 57.563 56.100 -0.135 0.000 0.995 267 R CB -0.420 29.797 30.300 -0.139 0.000 0.875 267 R HN 0.340 nan 8.270 nan 0.000 0.462 268 T N -1.919 112.604 114.554 -0.051 0.000 3.308 268 T HA 0.358 4.736 4.350 0.046 0.000 0.270 268 T C 0.138 174.871 174.700 0.056 0.000 0.992 268 T CA -0.691 61.407 62.100 -0.002 0.000 0.931 268 T CB -0.077 68.775 68.868 -0.027 0.000 1.142 268 T HN 0.076 nan 8.240 nan 0.000 0.525 269 M N -1.099 118.577 119.600 0.128 0.000 2.572 269 M HA 0.727 5.234 4.480 0.046 0.000 0.299 269 M C -1.177 175.294 176.300 0.285 0.000 1.205 269 M CA -0.874 54.541 55.300 0.192 0.000 0.876 269 M CB 2.131 34.842 32.600 0.186 0.000 1.728 269 M HN -0.134 nan 8.290 nan 0.000 0.458 270 E N 0.643 120.998 120.200 0.260 0.000 2.371 270 E HA 0.614 4.991 4.350 0.046 0.000 0.257 270 E C -0.146 176.501 176.600 0.078 0.000 1.134 270 E CA -0.451 56.025 56.400 0.126 0.000 0.919 270 E CB 1.353 31.024 29.700 -0.049 0.000 1.025 270 E HN 0.845 nan 8.360 nan 0.000 0.438 271 G N 0.695 109.387 108.800 -0.180 0.000 2.533 271 G HA2 0.645 4.633 3.960 0.046 0.000 0.304 271 G HA3 0.645 4.633 3.960 0.046 0.000 0.304 271 G C -1.431 173.013 174.900 -0.759 0.000 1.263 271 G CA -0.500 44.472 45.100 -0.212 0.000 0.964 271 G HN 0.299 nan 8.290 nan 0.000 0.479 272 F N -0.884 119.015 119.950 -0.085 0.000 2.619 272 F HA 0.503 5.057 4.527 0.046 0.000 0.308 272 F C 1.022 176.742 175.800 -0.135 0.000 1.097 272 F CA -0.562 57.310 58.000 -0.214 0.000 0.953 272 F CB 2.440 41.264 39.000 -0.294 0.000 1.287 272 F HN 0.608 nan 8.300 nan 0.000 0.446 273 G N -0.529 108.346 108.800 0.125 0.000 2.920 273 G HA2 0.175 4.163 3.960 0.046 0.000 0.208 273 G HA3 0.175 4.163 3.960 0.046 0.000 0.208 273 G C 0.730 175.732 174.900 0.170 0.000 1.159 273 G CA 0.659 45.892 45.100 0.222 0.000 0.784 273 G HN 1.024 nan 8.290 nan 0.000 0.535 274 C N -1.458 117.822 119.300 -0.033 0.000 5.885 274 C HA -0.164 4.323 4.460 0.046 0.000 0.327 274 C C 0.782 175.463 174.990 -0.514 0.000 2.426 274 C CA 0.765 59.577 59.018 -0.343 0.000 2.190 274 C CB -2.000 25.441 27.740 -0.499 0.000 3.229 274 C HN 0.606 nan 8.230 nan 0.000 0.266 275 H N 0.074 119.192 119.070 0.079 0.000 2.731 275 H HA 0.483 5.066 4.556 0.046 0.000 0.368 275 H C -0.188 175.127 175.328 -0.022 0.000 1.168 275 H CA 0.073 56.087 56.048 -0.055 0.000 1.181 275 H CB 0.883 30.475 29.762 -0.283 0.000 1.743 275 H HN 0.291 nan 8.280 nan 0.000 0.547 276 T N 2.731 117.292 114.554 0.012 0.000 2.799 276 T HA 0.196 4.574 4.350 0.046 0.000 0.296 276 T C 0.105 174.774 174.700 -0.051 0.000 0.947 276 T CA 0.285 62.377 62.100 -0.013 0.000 1.141 276 T CB -0.344 68.466 68.868 -0.097 0.000 0.891 276 T HN 0.205 nan 8.240 nan 0.000 0.533 277 F N 1.234 121.149 119.950 -0.059 0.000 2.629 277 F HA 0.667 5.221 4.527 0.046 0.000 0.386 277 F C 1.012 176.769 175.800 -0.072 0.000 1.135 277 F CA -1.357 56.630 58.000 -0.021 0.000 1.116 277 F CB 1.443 40.414 39.000 -0.049 0.000 1.426 277 F HN 0.205 nan 8.300 nan 0.000 0.501 278 R N 0.462 121.024 120.500 0.103 0.000 2.750 278 R HA 0.628 4.996 4.340 0.046 0.000 0.281 278 R C -1.610 174.576 176.300 -0.190 0.000 0.972 278 R CA -0.892 55.131 56.100 -0.128 0.000 0.912 278 R CB 1.982 32.138 30.300 -0.240 0.000 1.187 278 R HN 0.418 nan 8.270 nan 0.000 0.464 279 L N 3.293 124.354 121.223 -0.269 0.000 2.325 279 L HA 0.510 4.878 4.340 0.046 0.000 0.279 279 L C -0.345 176.366 176.870 -0.266 0.000 1.054 279 L CA -0.789 53.900 54.840 -0.252 0.000 0.804 279 L CB 1.008 42.925 42.059 -0.237 0.000 1.200 279 L HN 0.350 nan 8.230 nan 0.000 0.436 280 I N 2.594 123.033 120.570 -0.219 0.000 2.447 280 I HA 0.256 4.453 4.170 0.046 0.000 0.287 280 I C -0.278 175.748 176.117 -0.151 0.000 1.023 280 I CA -0.696 60.475 61.300 -0.215 0.000 1.083 280 I CB 1.404 39.283 38.000 -0.202 0.000 1.245 280 I HN 0.645 nan 8.210 nan 0.000 0.434 281 N N 5.001 123.623 118.700 -0.129 0.000 2.405 281 N HA 0.355 5.123 4.740 0.046 0.000 0.269 281 N C 0.851 176.318 175.510 -0.072 0.000 1.249 281 N CA -0.245 52.751 53.050 -0.090 0.000 0.974 281 N CB 0.672 39.114 38.487 -0.074 0.000 1.204 281 N HN 0.531 nan 8.380 nan 0.000 0.565 282 A N -0.603 122.184 122.820 -0.055 0.000 2.015 282 A HA -0.101 4.247 4.320 0.046 0.000 0.219 282 A C 1.454 179.016 177.584 -0.037 0.000 1.163 282 A CA 1.008 53.019 52.037 -0.043 0.000 0.646 282 A CB -0.584 18.397 19.000 -0.032 0.000 0.806 282 A HN 0.693 nan 8.150 nan 0.000 0.448 283 E N -1.010 119.169 120.200 -0.035 0.000 2.482 283 E HA 0.119 4.496 4.350 0.046 0.000 0.196 283 E C 1.338 177.926 176.600 -0.020 0.000 1.047 283 E CA 0.718 57.103 56.400 -0.025 0.000 0.869 283 E CB -0.413 29.273 29.700 -0.023 0.000 0.836 283 E HN 0.830 nan 8.360 nan 0.000 0.520 284 G N 1.752 110.537 108.800 -0.027 0.000 2.175 284 G HA2 -0.327 3.660 3.960 0.046 0.000 0.244 284 G HA3 -0.327 3.660 3.960 0.046 0.000 0.244 284 G C 0.371 175.283 174.900 0.020 0.000 0.982 284 G CA 0.358 45.462 45.100 0.006 0.000 0.641 284 G HN 0.304 nan 8.290 nan 0.000 0.527 285 K N 0.950 121.323 120.400 -0.044 0.000 2.368 285 K HA 0.630 4.978 4.320 0.046 0.000 0.282 285 K C 0.579 177.031 176.600 -0.247 0.000 1.035 285 K CA 0.304 56.535 56.287 -0.095 0.000 0.973 285 K CB 0.486 32.934 32.500 -0.086 0.000 0.957 285 K HN 0.597 nan 8.250 nan 0.000 0.474 286 A N 3.444 126.002 122.820 -0.437 0.000 2.305 286 A HA 0.450 4.797 4.320 0.046 0.000 0.322 286 A C -0.773 176.483 177.584 -0.547 0.000 1.187 286 A CA -0.539 51.075 52.037 -0.706 0.000 0.825 286 A CB 1.243 19.330 19.000 -1.521 0.000 1.164 286 A HN 0.720 nan 8.150 nan 0.000 0.498 287 T N 2.090 116.366 114.554 -0.464 0.000 2.841 287 T HA 0.561 4.938 4.350 0.046 0.000 0.283 287 T C -0.646 173.830 174.700 -0.374 0.000 1.000 287 T CA -0.085 61.798 62.100 -0.362 0.000 0.977 287 T CB 0.557 69.308 68.868 -0.195 0.000 0.979 287 T HN 0.342 nan 8.240 nan 0.000 0.446 288 F N 1.809 121.671 119.950 -0.147 0.000 2.418 288 F HA 0.554 5.108 4.527 0.046 0.000 0.341 288 F C 0.535 176.224 175.800 -0.185 0.000 1.120 288 F CA -0.460 57.451 58.000 -0.148 0.000 1.232 288 F CB 0.787 39.727 39.000 -0.100 0.000 1.175 288 F HN 0.185 nan 8.300 nan 0.000 0.569 289 V N 4.518 124.401 119.914 -0.052 0.000 2.808 289 V HA 0.578 4.725 4.120 0.046 0.000 0.308 289 V C -1.003 174.873 176.094 -0.364 0.000 1.099 289 V CA -0.728 61.386 62.300 -0.310 0.000 0.920 289 V CB 1.971 33.380 31.823 -0.689 0.000 1.014 289 V HN 0.775 nan 8.190 nan 0.000 0.425 290 R N 4.865 125.205 120.500 -0.267 0.000 2.562 290 R HA 0.571 4.938 4.340 0.046 0.000 0.298 290 R C -1.551 174.682 176.300 -0.111 0.000 0.961 290 R CA -0.470 55.502 56.100 -0.212 0.000 0.881 290 R CB 1.982 32.282 30.300 0.000 0.000 1.159 290 R HN 0.602 nan 8.270 nan 0.000 0.450 291 F N 2.086 122.078 119.950 0.071 0.000 2.385 291 F HA 0.352 4.907 4.527 0.046 0.000 0.336 291 F C 0.928 176.680 175.800 -0.080 0.000 1.100 291 F CA -0.055 57.955 58.000 0.017 0.000 1.116 291 F CB 0.875 39.774 39.000 -0.168 0.000 1.166 291 F HN 0.204 nan 8.300 nan 0.000 0.511 292 H N 1.009 120.086 119.070 0.011 0.000 2.806 292 H HA 0.222 4.806 4.556 0.046 0.000 0.367 292 H C -1.568 173.552 175.328 -0.346 0.000 1.136 292 H CA -0.987 54.978 56.048 -0.138 0.000 1.178 292 H CB 1.879 31.645 29.762 0.007 0.000 1.718 292 H HN 0.679 nan 8.280 nan 0.000 0.540 293 W N 2.523 123.710 121.300 -0.188 0.000 2.532 293 W HA 0.326 5.014 4.660 0.046 0.000 0.321 293 W C -0.074 176.469 176.519 0.039 0.000 1.037 293 W CA -0.772 56.513 57.345 -0.100 0.000 1.220 293 W CB 1.761 30.974 29.460 -0.412 0.000 1.361 293 W HN 0.308 nan 8.180 nan 0.000 0.468 294 K N 5.692 126.365 120.400 0.455 0.000 2.265 294 K HA 0.412 4.760 4.320 0.046 0.000 0.267 294 K C -2.474 174.354 176.600 0.380 0.000 0.994 294 K CA -1.925 54.563 56.287 0.335 0.000 0.860 294 K CB 1.470 34.120 32.500 0.250 0.000 1.099 294 K HN 0.030 nan 8.250 nan 0.000 0.448 295 P HA 0.059 nan 4.420 nan 0.000 0.282 295 P C 0.257 177.571 177.300 0.023 0.000 1.274 295 P CA -0.121 63.056 63.100 0.129 0.000 0.770 295 P CB 0.818 32.604 31.700 0.143 0.000 0.867 296 L N 2.621 123.803 121.223 -0.068 0.000 2.395 296 L HA -0.039 4.329 4.340 0.046 0.000 0.218 296 L C 2.165 179.015 176.870 -0.033 0.000 1.130 296 L CA 0.965 55.796 54.840 -0.014 0.000 0.826 296 L CB -0.527 41.535 42.059 0.004 0.000 0.941 296 L HN 0.343 nan 8.230 nan 0.000 0.451 297 A N 0.053 122.823 122.820 -0.083 0.000 2.238 297 A HA 0.404 4.751 4.320 0.046 0.000 0.208 297 A C 1.242 178.821 177.584 -0.009 0.000 1.177 297 A CA 0.686 52.693 52.037 -0.051 0.000 0.804 297 A CB -0.398 18.552 19.000 -0.083 0.000 0.823 297 A HN 0.446 nan 8.150 nan 0.000 0.482 298 G N -0.722 108.087 108.800 0.014 0.000 2.707 298 G HA2 -0.121 3.867 3.960 0.046 0.000 0.686 298 G HA3 -0.121 3.867 3.960 0.046 0.000 0.686 298 G C -0.654 174.272 174.900 0.043 0.000 1.315 298 G CA -0.455 44.672 45.100 0.046 0.000 0.832 298 G HN 0.449 nan 8.290 nan 0.000 0.573 299 K N 0.145 120.576 120.400 0.051 0.000 2.172 299 K HA 0.724 5.072 4.320 0.046 0.000 0.276 299 K C 0.252 176.838 176.600 -0.024 0.000 1.013 299 K CA 0.273 56.571 56.287 0.019 0.000 0.913 299 K CB 1.686 34.183 32.500 -0.004 0.000 1.055 299 K HN 1.571 nan 8.250 nan 0.000 0.461 300 A N 1.662 124.453 122.820 -0.048 0.000 2.565 300 A HA 0.541 4.889 4.320 0.046 0.000 0.298 300 A C -1.230 176.377 177.584 0.038 0.000 1.062 300 A CA -0.691 51.274 52.037 -0.119 0.000 0.723 300 A CB 1.652 20.383 19.000 -0.448 0.000 1.282 300 A HN 0.490 nan 8.150 nan 0.000 0.400 301 S N 0.650 116.522 115.700 0.288 0.000 2.599 301 S HA 0.745 5.243 4.470 0.046 0.000 0.287 301 S C -0.038 174.861 174.600 0.498 0.000 1.105 301 S CA -0.630 57.787 58.200 0.362 0.000 0.899 301 S CB 1.209 64.621 63.200 0.354 0.000 1.100 301 S HN 0.669 nan 8.310 nan 0.000 0.482 302 L N 1.479 122.898 121.223 0.327 0.000 2.470 302 L HA 0.456 4.823 4.340 0.046 0.000 0.243 302 L C 0.237 177.234 176.870 0.212 0.000 1.227 302 L CA -0.654 54.307 54.840 0.202 0.000 0.824 302 L CB 0.040 42.121 42.059 0.036 0.000 1.175 302 L HN 0.488 nan 8.230 nan 0.000 0.503 303 V N -2.946 116.998 119.914 0.049 0.000 2.850 303 V HA 0.182 4.329 4.120 0.046 0.000 0.315 303 V C 0.652 176.690 176.094 -0.093 0.000 1.064 303 V CA -0.782 61.517 62.300 -0.000 0.000 0.979 303 V CB 1.596 33.395 31.823 -0.040 0.000 1.039 303 V HN 0.947 nan 8.190 nan 0.000 0.452 304 W N 1.601 122.769 121.300 -0.220 0.000 2.355 304 W HA -0.188 4.499 4.660 0.045 0.000 0.309 304 W C 1.753 178.110 176.519 -0.269 0.000 1.206 304 W CA 2.425 59.631 57.345 -0.232 0.000 1.284 304 W CB -0.078 29.225 29.460 -0.262 0.000 1.145 304 W HN 0.992 nan 8.180 nan 0.000 0.502 305 D N 0.315 120.423 120.400 -0.486 0.000 2.144 305 D HA -0.283 4.384 4.640 0.046 0.000 0.199 305 D C 2.134 178.064 176.300 -0.618 0.000 0.984 305 D CA 2.070 55.748 54.000 -0.535 0.000 0.834 305 D CB -0.437 40.308 40.800 -0.091 0.000 0.955 305 D HN 0.383 nan 8.370 nan 0.000 0.465 306 E N -0.336 119.371 120.200 -0.821 0.000 2.047 306 E HA -0.188 4.190 4.350 0.046 0.000 0.191 306 E C 2.048 178.294 176.600 -0.591 0.000 0.987 306 E CA 1.019 56.859 56.400 -0.934 0.000 0.799 306 E CB -0.238 28.827 29.700 -1.058 0.000 0.752 306 E HN 0.291 nan 8.360 nan 0.000 0.449 307 A N 1.207 123.710 122.820 -0.528 0.000 1.908 307 A HA -0.279 4.069 4.320 0.046 0.000 0.218 307 A C 2.189 179.443 177.584 -0.550 0.000 1.181 307 A CA 1.918 53.695 52.037 -0.433 0.000 0.627 307 A CB -0.724 18.124 19.000 -0.254 0.000 0.818 307 A HN 0.466 nan 8.150 nan 0.000 0.445 308 Q N -0.660 118.619 119.800 -0.868 0.000 2.083 308 Q HA -0.158 4.210 4.340 0.046 0.000 0.198 308 Q C 2.194 177.922 176.000 -0.453 0.000 0.969 308 Q CA 1.662 56.971 55.803 -0.824 0.000 0.838 308 Q CB -0.146 27.840 28.738 -1.253 0.000 0.900 308 Q HN 0.659 nan 8.270 nan 0.000 0.436 309 K N 0.086 120.238 120.400 -0.413 0.000 2.097 309 K HA -0.153 4.195 4.320 0.046 0.000 0.206 309 K C 2.063 178.523 176.600 -0.234 0.000 1.049 309 K CA 0.769 56.903 56.287 -0.254 0.000 0.933 309 K CB -0.056 32.336 32.500 -0.181 0.000 0.717 309 K HN 0.175 nan 8.250 nan 0.000 0.442 310 L N 1.406 122.446 121.223 -0.305 0.000 2.201 310 L HA -0.136 4.232 4.340 0.046 0.000 0.212 310 L C 2.174 178.907 176.870 -0.228 0.000 1.105 310 L CA 2.107 56.764 54.840 -0.304 0.000 0.775 310 L CB -0.934 40.853 42.059 -0.452 0.000 0.913 310 L HN 0.318 nan 8.230 nan 0.000 0.440 311 T N -4.402 110.022 114.554 -0.217 0.000 2.881 311 T HA -0.066 4.311 4.350 0.046 0.000 0.270 311 T C 1.839 176.476 174.700 -0.105 0.000 1.068 311 T CA 0.972 62.986 62.100 -0.144 0.000 1.131 311 T CB -0.926 67.868 68.868 -0.123 0.000 0.871 311 T HN 0.380 nan 8.240 nan 0.000 0.479 312 G N 1.295 110.026 108.800 -0.115 0.000 2.447 312 G HA2 -0.006 3.982 3.960 0.046 0.000 0.211 312 G HA3 -0.006 3.982 3.960 0.046 0.000 0.211 312 G C 1.882 176.740 174.900 -0.070 0.000 1.184 312 G CA -0.250 44.800 45.100 -0.082 0.000 0.813 312 G HN 0.290 nan 8.290 nan 0.000 0.540 313 R N 0.485 120.934 120.500 -0.084 0.000 2.081 313 R HA -0.001 4.366 4.340 0.046 0.000 0.235 313 R C -0.068 176.208 176.300 -0.040 0.000 1.131 313 R CA 1.020 57.084 56.100 -0.061 0.000 0.960 313 R CB -0.411 29.844 30.300 -0.074 0.000 0.856 313 R HN 0.355 nan 8.270 nan 0.000 0.436 314 D N -0.561 119.809 120.400 -0.050 0.000 2.381 314 D HA 0.148 4.816 4.640 0.046 0.000 0.245 314 D C -2.122 174.179 176.300 0.002 0.000 1.297 314 D CA -1.897 52.107 54.000 0.006 0.000 0.931 314 D CB 1.401 42.257 40.800 0.094 0.000 1.334 314 D HN -0.130 nan 8.370 nan 0.000 0.535 315 P HA 0.023 nan 4.420 nan 0.000 0.234 315 P C 0.057 177.361 177.300 0.007 0.000 1.167 315 P CA 0.550 63.637 63.100 -0.021 0.000 0.763 315 P CB 0.512 32.196 31.700 -0.026 0.000 0.835 316 D N -1.397 119.021 120.400 0.029 0.000 2.388 316 D HA 0.074 4.742 4.640 0.046 0.000 0.221 316 D C 1.182 177.524 176.300 0.070 0.000 1.133 316 D CA -0.408 53.616 54.000 0.039 0.000 0.831 316 D CB -0.528 40.274 40.800 0.003 0.000 0.962 316 D HN 0.129 nan 8.370 nan 0.000 0.502 317 F N 1.148 121.040 119.950 -0.096 0.000 2.126 317 F HA -0.216 4.338 4.527 0.045 0.000 0.299 317 F C 2.051 177.830 175.800 -0.035 0.000 1.096 317 F CA 1.823 59.767 58.000 -0.092 0.000 1.255 317 F CB 0.067 38.963 39.000 -0.174 0.000 0.997 317 F HN 0.104 nan 8.300 nan 0.000 0.479 318 H N -1.129 117.871 119.070 -0.116 0.000 2.395 318 H HA -0.075 4.508 4.556 0.046 0.000 0.299 318 H C 2.369 177.588 175.328 -0.182 0.000 1.070 318 H CA 0.842 56.664 56.048 -0.378 0.000 1.356 318 H CB -0.090 29.276 29.762 -0.660 0.000 1.401 318 H HN 0.177 nan 8.280 nan 0.000 0.524 319 R N 1.254 121.850 120.500 0.161 0.000 2.081 319 R HA -0.138 4.229 4.340 0.046 0.000 0.235 319 R C 2.433 178.841 176.300 0.179 0.000 1.131 319 R CA 1.348 57.599 56.100 0.251 0.000 0.960 319 R CB -0.032 30.400 30.300 0.221 0.000 0.856 319 R HN 0.197 nan 8.270 nan 0.000 0.436 320 R N 0.269 120.794 120.500 0.042 0.000 2.081 320 R HA -0.141 4.227 4.340 0.046 0.000 0.235 320 R C 2.150 178.441 176.300 -0.015 0.000 1.131 320 R CA 1.669 57.772 56.100 0.005 0.000 0.960 320 R CB -0.194 30.069 30.300 -0.061 0.000 0.856 320 R HN 0.267 nan 8.270 nan 0.000 0.436 321 E N 0.603 120.685 120.200 -0.195 0.000 2.072 321 E HA -0.187 4.190 4.350 0.046 0.000 0.191 321 E C 2.016 178.581 176.600 -0.058 0.000 0.985 321 E CA 0.936 57.187 56.400 -0.249 0.000 0.801 321 E CB -0.049 29.339 29.700 -0.521 0.000 0.750 321 E HN 0.250 nan 8.360 nan 0.000 0.452 322 L N 0.920 122.153 121.223 0.017 0.000 2.017 322 L HA -0.162 4.206 4.340 0.046 0.000 0.208 322 L C 2.231 179.205 176.870 0.174 0.000 1.073 322 L CA 1.856 56.762 54.840 0.111 0.000 0.745 322 L CB -0.916 41.276 42.059 0.223 0.000 0.894 322 L HN 0.318 nan 8.230 nan 0.000 0.432 323 W N 0.834 122.172 121.300 0.064 0.000 2.358 323 W HA -0.191 4.497 4.660 0.047 0.000 0.303 323 W C 2.191 178.742 176.519 0.053 0.000 1.208 323 W CA 2.072 59.467 57.345 0.083 0.000 1.274 323 W CB -0.086 29.427 29.460 0.089 0.000 1.138 323 W HN 0.361 nan 8.180 nan 0.000 0.515 324 E N -0.028 120.342 120.200 0.284 0.000 2.152 324 E HA -0.109 4.269 4.350 0.046 0.000 0.192 324 E C 2.379 179.009 176.600 0.050 0.000 0.983 324 E CA 0.965 57.457 56.400 0.154 0.000 0.818 324 E CB -0.345 29.396 29.700 0.069 0.000 0.758 324 E HN 0.160 nan 8.360 nan 0.000 0.467 325 A N 1.406 124.251 122.820 0.042 0.000 1.883 325 A HA -0.201 4.147 4.320 0.046 0.000 0.217 325 A C 2.164 179.765 177.584 0.028 0.000 1.186 325 A CA 1.202 53.255 52.037 0.026 0.000 0.624 325 A CB -0.591 18.424 19.000 0.026 0.000 0.822 325 A HN 0.148 nan 8.150 nan 0.000 0.444 326 I N -0.645 119.965 120.570 0.066 0.000 2.315 326 I HA -0.211 3.986 4.170 0.046 0.000 0.248 326 I C 2.436 178.619 176.117 0.110 0.000 1.117 326 I CA 1.301 62.693 61.300 0.153 0.000 1.404 326 I CB -0.399 37.635 38.000 0.056 0.000 1.071 326 I HN 0.427 nan 8.210 nan 0.000 0.419 327 E N 0.895 121.113 120.200 0.031 0.000 2.150 327 E HA -0.166 4.211 4.350 0.046 0.000 0.193 327 E C 2.171 178.783 176.600 0.021 0.000 0.985 327 E CA 1.186 57.616 56.400 0.049 0.000 0.814 327 E CB -0.064 29.698 29.700 0.103 0.000 0.752 327 E HN 0.490 nan 8.360 nan 0.000 0.466 328 A N 0.105 122.910 122.820 -0.025 0.000 2.169 328 A HA 0.197 4.544 4.320 0.046 0.000 0.212 328 A C 1.789 179.287 177.584 -0.144 0.000 1.153 328 A CA 0.988 52.988 52.037 -0.061 0.000 0.756 328 A CB -0.100 18.860 19.000 -0.066 0.000 0.813 328 A HN 0.339 nan 8.150 nan 0.000 0.471 329 G N -0.535 108.071 108.800 -0.324 0.000 2.157 329 G HA2 -0.192 3.796 3.960 0.046 0.000 0.239 329 G HA3 -0.192 3.796 3.960 0.046 0.000 0.239 329 G C -0.205 174.155 174.900 -0.900 0.000 0.982 329 G CA 0.234 44.809 45.100 -0.875 0.000 0.650 329 G HN 0.428 nan 8.290 nan 0.000 0.527 330 D N 0.980 121.128 120.400 -0.420 0.000 2.994 330 D HA 0.275 4.943 4.640 0.046 0.000 0.240 330 D C 0.740 176.959 176.300 -0.135 0.000 1.195 330 D CA -0.163 53.705 54.000 -0.220 0.000 0.957 330 D CB -0.716 40.060 40.800 -0.039 0.000 1.105 330 D HN 0.433 nan 8.370 nan 0.000 0.477 331 F N 1.416 121.372 119.950 0.010 0.000 2.602 331 F HA 0.087 4.642 4.527 0.046 0.000 0.385 331 F C -1.341 174.436 175.800 -0.038 0.000 1.063 331 F CA -1.926 56.074 58.000 -0.000 0.000 1.233 331 F CB -0.087 38.926 39.000 0.022 0.000 1.067 331 F HN -0.091 nan 8.300 nan 0.000 0.564 332 P HA -0.023 nan 4.420 nan 0.000 0.261 332 P C -1.046 176.206 177.300 -0.079 0.000 1.173 332 P CA 0.499 63.588 63.100 -0.019 0.000 0.760 332 P CB 0.424 32.208 31.700 0.140 0.000 0.783 333 E N 2.176 122.170 120.200 -0.343 0.000 2.272 333 E HA 0.481 4.858 4.350 0.046 0.000 0.269 333 E C -1.118 175.215 176.600 -0.445 0.000 0.877 333 E CA -0.571 55.698 56.400 -0.219 0.000 0.755 333 E CB 1.626 31.297 29.700 -0.048 0.000 1.192 333 E HN 0.377 nan 8.360 nan 0.000 0.422 334 Y N 0.230 120.608 120.300 0.130 0.000 2.492 334 Y HA 0.248 4.826 4.550 0.046 0.000 0.346 334 Y C -0.287 175.856 175.900 0.405 0.000 0.997 334 Y CA -0.989 57.264 58.100 0.255 0.000 1.025 334 Y CB 2.057 40.644 38.460 0.211 0.000 1.263 334 Y HN 0.467 nan 8.280 nan 0.000 0.454 335 E N 2.815 123.348 120.200 0.555 0.000 2.167 335 E HA 0.346 4.724 4.350 0.046 0.000 0.284 335 E C -1.353 175.530 176.600 0.472 0.000 1.016 335 E CA -0.901 55.781 56.400 0.471 0.000 0.817 335 E CB 0.913 30.823 29.700 0.349 0.000 1.080 335 E HN 0.571 nan 8.360 nan 0.000 0.397 336 L N 4.375 125.805 121.223 0.345 0.000 2.416 336 L HA 0.471 4.839 4.340 0.046 0.000 0.272 336 L C -0.025 176.782 176.870 -0.105 0.000 1.161 336 L CA 0.646 55.386 54.840 -0.167 0.000 0.845 336 L CB 1.029 42.923 42.059 -0.274 0.000 1.119 336 L HN 0.569 nan 8.230 nan 0.000 0.464 337 G N 4.401 113.150 108.800 -0.085 0.000 2.612 337 G HA2 0.554 4.542 3.960 0.046 0.000 0.298 337 G HA3 0.554 4.542 3.960 0.046 0.000 0.298 337 G C -1.603 173.441 174.900 0.240 0.000 1.336 337 G CA -0.530 44.562 45.100 -0.013 0.000 0.953 337 G HN 0.462 nan 8.290 nan 0.000 0.482 338 F N 0.311 120.276 119.950 0.024 0.000 2.482 338 F HA 0.384 4.938 4.527 0.046 0.000 0.331 338 F C 0.436 176.224 175.800 -0.020 0.000 1.115 338 F CA -0.970 57.043 58.000 0.022 0.000 0.955 338 F CB 2.493 41.492 39.000 -0.002 0.000 1.136 338 F HN 0.133 nan 8.300 nan 0.000 0.452 339 Q N 4.301 124.212 119.800 0.185 0.000 2.274 339 Q HA 0.497 4.865 4.340 0.046 0.000 0.256 339 Q C -1.055 174.987 176.000 0.070 0.000 0.927 339 Q CA -0.430 55.428 55.803 0.092 0.000 0.939 339 Q CB 2.053 30.849 28.738 0.097 0.000 1.201 339 Q HN 0.541 nan 8.270 nan 0.000 0.426 340 L N 4.167 125.439 121.223 0.082 0.000 2.341 340 L HA 0.580 4.947 4.340 0.046 0.000 0.278 340 L C -0.884 176.043 176.870 0.096 0.000 1.005 340 L CA -0.803 54.077 54.840 0.066 0.000 0.818 340 L CB 1.305 43.410 42.059 0.076 0.000 1.259 340 L HN 0.508 nan 8.230 nan 0.000 0.418 341 I N 4.344 124.990 120.570 0.126 0.000 2.478 341 I HA 0.420 4.617 4.170 0.046 0.000 0.287 341 I C -2.345 173.883 176.117 0.186 0.000 1.042 341 I CA -1.776 59.643 61.300 0.198 0.000 1.067 341 I CB 1.951 40.115 38.000 0.273 0.000 1.233 341 I HN 0.299 nan 8.210 nan 0.000 0.431 342 P HA 0.074 nan 4.420 nan 0.000 0.269 342 P C 0.705 178.057 177.300 0.088 0.000 1.215 342 P CA -0.220 62.907 63.100 0.044 0.000 0.780 342 P CB 0.832 32.551 31.700 0.031 0.000 0.898 343 E N 2.062 122.219 120.200 -0.072 0.000 2.118 343 E HA -0.258 4.120 4.350 0.046 0.000 0.195 343 E C 1.361 178.039 176.600 0.129 0.000 0.992 343 E CA 1.127 57.492 56.400 -0.060 0.000 0.804 343 E CB -0.006 29.578 29.700 -0.193 0.000 0.741 343 E HN 0.487 nan 8.360 nan 0.000 0.458 344 E N 0.205 120.450 120.200 0.076 0.000 2.516 344 E HA -0.162 4.216 4.350 0.046 0.000 0.199 344 E C 0.314 176.962 176.600 0.080 0.000 1.069 344 E CA 0.744 57.196 56.400 0.087 0.000 0.876 344 E CB 0.062 29.794 29.700 0.054 0.000 0.843 344 E HN 0.238 nan 8.360 nan 0.000 0.530 345 D N 1.213 121.661 120.400 0.080 0.000 2.340 345 D HA 0.003 4.670 4.640 0.046 0.000 0.217 345 D C 1.346 177.627 176.300 -0.032 0.000 1.081 345 D CA 0.023 54.028 54.000 0.008 0.000 0.842 345 D CB 0.189 40.999 40.800 0.017 0.000 0.934 345 D HN 0.393 nan 8.370 nan 0.000 0.511 346 E N -0.170 120.007 120.200 -0.039 0.000 2.114 346 E HA -0.212 4.165 4.350 0.046 0.000 0.199 346 E C 0.439 176.687 176.600 -0.588 0.000 1.008 346 E CA 1.224 57.383 56.400 -0.401 0.000 0.810 346 E CB 0.006 29.315 29.700 -0.651 0.000 0.739 346 E HN 0.268 nan 8.360 nan 0.000 0.456 347 F N -0.389 119.529 119.950 -0.054 0.000 2.647 347 F HA 0.282 4.836 4.527 0.046 0.000 0.300 347 F C 1.331 177.012 175.800 -0.199 0.000 1.106 347 F CA -0.268 57.675 58.000 -0.094 0.000 1.313 347 F CB 0.526 39.494 39.000 -0.053 0.000 1.007 347 F HN -0.187 nan 8.300 nan 0.000 0.536 348 K N 0.221 120.454 120.400 -0.279 0.000 2.525 348 K HA 0.067 4.415 4.320 0.046 0.000 0.192 348 K C -0.217 175.922 176.600 -0.768 0.000 1.029 348 K CA 0.539 56.502 56.287 -0.540 0.000 1.029 348 K CB 0.056 32.151 32.500 -0.675 0.000 0.814 348 K HN 0.191 nan 8.250 nan 0.000 0.503 349 F N -0.318 119.478 119.950 -0.256 0.000 2.557 349 F HA 0.156 4.711 4.527 0.046 0.000 0.336 349 F C 1.251 176.850 175.800 -0.335 0.000 1.058 349 F CA -1.072 56.670 58.000 -0.431 0.000 0.988 349 F CB 0.744 39.122 39.000 -1.038 0.000 1.275 349 F HN -0.237 nan 8.300 nan 0.000 0.488 350 D N 0.331 120.721 120.400 -0.017 0.000 2.348 350 D HA -0.015 4.652 4.640 0.046 0.000 0.216 350 D C -0.274 176.113 176.300 0.145 0.000 0.970 350 D CA 1.109 55.172 54.000 0.105 0.000 0.889 350 D CB -0.173 40.783 40.800 0.261 0.000 0.912 350 D HN 0.267 nan 8.370 nan 0.000 0.524 351 F N -1.445 118.593 119.950 0.148 0.000 2.631 351 F HA 0.481 5.035 4.527 0.046 0.000 0.328 351 F C -0.153 175.648 175.800 0.003 0.000 1.067 351 F CA -1.598 56.416 58.000 0.022 0.000 0.969 351 F CB 0.806 39.779 39.000 -0.044 0.000 1.332 351 F HN -0.414 nan 8.300 nan 0.000 0.490 352 D N 1.342 121.785 120.400 0.071 0.000 2.264 352 D HA 0.235 4.903 4.640 0.046 0.000 0.250 352 D C 0.926 177.203 176.300 -0.038 0.000 1.113 352 D CA -0.137 53.848 54.000 -0.025 0.000 0.871 352 D CB 1.598 42.387 40.800 -0.019 0.000 1.167 352 D HN 0.732 nan 8.370 nan 0.000 0.447 353 L N 3.310 124.452 121.223 -0.134 0.000 2.265 353 L HA -0.110 4.258 4.340 0.046 0.000 0.215 353 L C 1.930 178.695 176.870 -0.174 0.000 1.117 353 L CA 0.667 55.411 54.840 -0.160 0.000 0.782 353 L CB -0.081 41.742 42.059 -0.393 0.000 0.914 353 L HN 0.428 nan 8.230 nan 0.000 0.441 354 L N -0.890 120.249 121.223 -0.139 0.000 2.591 354 L HA 0.064 4.432 4.340 0.046 0.000 0.228 354 L C 0.416 177.240 176.870 -0.078 0.000 1.133 354 L CA -0.144 54.681 54.840 -0.024 0.000 0.880 354 L CB -0.242 41.907 42.059 0.150 0.000 1.033 354 L HN 0.084 nan 8.230 nan 0.000 0.450 355 D N 1.803 121.931 120.400 -0.453 0.000 2.380 355 D HA 0.118 4.786 4.640 0.046 0.000 0.230 355 D C -1.625 174.448 176.300 -0.378 0.000 1.154 355 D CA -2.339 51.121 54.000 -0.899 0.000 0.859 355 D CB 1.516 41.477 40.800 -1.398 0.000 1.045 355 D HN -0.072 nan 8.370 nan 0.000 0.495 356 P HA -0.023 nan 4.420 nan 0.000 0.245 356 P C 0.821 178.012 177.300 -0.181 0.000 1.212 356 P CA 0.497 63.514 63.100 -0.139 0.000 0.774 356 P CB -0.079 31.622 31.700 0.001 0.000 0.999 357 T N -4.378 110.061 114.554 -0.192 0.000 3.107 357 T HA 0.149 4.526 4.350 0.046 0.000 0.249 357 T C 0.741 175.328 174.700 -0.187 0.000 1.096 357 T CA -0.043 61.952 62.100 -0.174 0.000 1.012 357 T CB -0.208 68.604 68.868 -0.093 0.000 0.977 357 T HN -0.150 nan 8.240 nan 0.000 0.527 358 K N 2.083 122.282 120.400 -0.335 0.000 2.221 358 K HA 0.567 4.914 4.320 0.046 0.000 0.258 358 K C -0.286 176.103 176.600 -0.351 0.000 0.944 358 K CA -0.907 55.044 56.287 -0.560 0.000 0.823 358 K CB 2.103 34.178 32.500 -0.709 0.000 1.113 358 K HN 0.305 nan 8.250 nan 0.000 0.431 359 L N -0.212 120.936 121.223 -0.125 0.000 2.387 359 L HA 0.652 5.019 4.340 0.046 0.000 0.266 359 L C -0.063 176.599 176.870 -0.347 0.000 1.059 359 L CA -0.388 54.344 54.840 -0.178 0.000 0.801 359 L CB 0.329 42.360 42.059 -0.046 0.000 1.223 359 L HN 0.452 nan 8.230 nan 0.000 0.456 360 I N 1.406 121.868 120.570 -0.181 0.000 2.330 360 I HA 0.376 4.574 4.170 0.046 0.000 0.286 360 I C -2.153 173.953 176.117 -0.019 0.000 1.025 360 I CA -1.703 59.533 61.300 -0.107 0.000 1.197 360 I CB 1.162 39.133 38.000 -0.049 0.000 1.358 360 I HN 0.457 nan 8.210 nan 0.000 0.467 361 P HA 0.025 nan 4.420 nan 0.000 0.264 361 P C 0.373 177.714 177.300 0.068 0.000 1.193 361 P CA 0.119 63.242 63.100 0.037 0.000 0.763 361 P CB 0.622 32.338 31.700 0.026 0.000 0.810 362 E N 1.863 122.118 120.200 0.092 0.000 2.204 362 E HA -0.197 4.180 4.350 0.046 0.000 0.195 362 E C 1.435 178.075 176.600 0.067 0.000 0.990 362 E CA 0.750 57.195 56.400 0.075 0.000 0.821 362 E CB -0.000 29.750 29.700 0.084 0.000 0.750 362 E HN 0.506 nan 8.360 nan 0.000 0.477 363 E N 0.428 120.670 120.200 0.070 0.000 2.160 363 E HA -0.170 4.207 4.350 0.046 0.000 0.195 363 E C 2.070 178.723 176.600 0.088 0.000 0.991 363 E CA 0.856 57.297 56.400 0.068 0.000 0.810 363 E CB 0.021 29.756 29.700 0.059 0.000 0.742 363 E HN 0.369 nan 8.360 nan 0.000 0.466 364 L N -0.464 120.825 121.223 0.110 0.000 2.168 364 L HA 0.036 4.404 4.340 0.046 0.000 0.203 364 L C 0.705 177.674 176.870 0.164 0.000 1.078 364 L CA 0.432 55.373 54.840 0.169 0.000 0.780 364 L CB 0.329 42.536 42.059 0.247 0.000 0.939 364 L HN -0.205 nan 8.230 nan 0.000 0.451 365 V N 1.438 121.416 119.914 0.106 0.000 2.419 365 V HA 0.322 4.470 4.120 0.046 0.000 0.287 365 V C -2.358 173.768 176.094 0.054 0.000 1.017 365 V CA -1.453 60.903 62.300 0.093 0.000 0.844 365 V CB 1.480 33.344 31.823 0.068 0.000 1.011 365 V HN -0.040 nan 8.190 nan 0.000 0.429 366 P HA 0.181 nan 4.420 nan 0.000 0.272 366 P C -0.264 177.028 177.300 -0.013 0.000 1.223 366 P CA -0.042 63.069 63.100 0.020 0.000 0.784 366 P CB 1.178 32.896 31.700 0.030 0.000 0.923 367 V N 2.929 122.801 119.914 -0.070 0.000 2.470 367 V HA 0.063 4.210 4.120 0.046 0.000 0.276 367 V C 0.894 176.973 176.094 -0.026 0.000 1.040 367 V CA 0.179 62.407 62.300 -0.121 0.000 1.008 367 V CB -0.034 31.634 31.823 -0.258 0.000 0.990 367 V HN 0.552 nan 8.190 nan 0.000 0.477 368 Q N 6.192 125.998 119.800 0.009 0.000 2.274 368 Q HA 0.373 4.741 4.340 0.046 0.000 0.256 368 Q C 0.328 176.319 176.000 -0.016 0.000 0.927 368 Q CA -0.824 54.989 55.803 0.016 0.000 0.939 368 Q CB 0.880 29.642 28.738 0.041 0.000 1.201 368 Q HN 0.831 nan 8.270 nan 0.000 0.426 369 R N 2.143 122.657 120.500 0.023 0.000 2.543 369 R HA 0.160 4.527 4.340 0.046 0.000 0.277 369 R C -0.628 175.693 176.300 0.035 0.000 1.074 369 R CA -0.376 55.775 56.100 0.085 0.000 1.076 369 R CB 0.840 31.256 30.300 0.192 0.000 0.993 369 R HN 0.509 nan 8.270 nan 0.000 0.459 370 V N 1.486 121.351 119.914 -0.081 0.000 3.058 370 V HA 0.349 4.497 4.120 0.046 0.000 0.233 370 V C 0.765 176.636 176.094 -0.373 0.000 1.255 370 V CA 1.020 63.143 62.300 -0.296 0.000 1.267 370 V CB 0.848 32.209 31.823 -0.771 0.000 1.049 370 V HN 1.063 nan 8.190 nan 0.000 0.486 371 G N -0.308 108.175 108.800 -0.528 0.000 2.495 371 G HA2 0.495 4.482 3.960 0.046 0.000 0.294 371 G HA3 0.495 4.482 3.960 0.046 0.000 0.294 371 G C -1.882 172.655 174.900 -0.604 0.000 1.397 371 G CA -0.545 43.930 45.100 -1.041 0.000 0.790 371 G HN 0.057 nan 8.290 nan 0.000 0.486 372 K N -0.313 119.722 120.400 -0.609 0.000 2.259 372 K HA 0.742 5.089 4.320 0.046 0.000 0.252 372 K C -0.728 175.892 176.600 0.033 0.000 0.936 372 K CA -0.771 55.476 56.287 -0.066 0.000 0.810 372 K CB 1.944 34.454 32.500 0.017 0.000 1.143 372 K HN 0.565 nan 8.250 nan 0.000 0.427 373 M N 4.586 124.351 119.600 0.275 0.000 2.311 373 M HA 0.412 4.919 4.480 0.046 0.000 0.325 373 M C -1.763 174.523 176.300 -0.024 0.000 1.061 373 M CA -0.790 54.611 55.300 0.168 0.000 0.957 373 M CB 1.700 34.448 32.600 0.246 0.000 1.646 373 M HN 0.354 nan 8.290 nan 0.000 0.434 374 V N 6.192 125.929 119.914 -0.295 0.000 2.531 374 V HA 0.459 4.607 4.120 0.046 0.000 0.301 374 V C -0.627 175.354 176.094 -0.187 0.000 1.034 374 V CA -0.715 61.440 62.300 -0.242 0.000 0.865 374 V CB 1.855 33.435 31.823 -0.404 0.000 0.995 374 V HN 0.808 nan 8.190 nan 0.000 0.424 375 L N 5.428 126.626 121.223 -0.041 0.000 2.262 375 L HA 0.518 4.886 4.340 0.046 0.000 0.288 375 L C 0.458 177.273 176.870 -0.091 0.000 1.035 375 L CA -0.308 54.511 54.840 -0.036 0.000 0.820 375 L CB 1.101 43.178 42.059 0.029 0.000 1.204 375 L HN 0.873 nan 8.230 nan 0.000 0.424 376 N N 2.205 120.772 118.700 -0.221 0.000 2.160 376 N HA 0.126 4.893 4.740 0.046 0.000 0.226 376 N C 0.014 175.373 175.510 -0.251 0.000 1.256 376 N CA -0.354 52.348 53.050 -0.579 0.000 0.890 376 N CB 0.805 38.642 38.487 -1.083 0.000 1.116 376 N HN 0.433 nan 8.380 nan 0.000 0.517 377 R N 0.441 120.889 120.500 -0.087 0.000 2.548 377 R HA 0.323 4.691 4.340 0.046 0.000 0.280 377 R C -1.182 175.078 176.300 -0.068 0.000 1.061 377 R CA -0.543 55.519 56.100 -0.063 0.000 0.915 377 R CB 1.472 31.741 30.300 -0.051 0.000 1.210 377 R HN 0.086 nan 8.270 nan 0.000 0.442 378 N N 3.104 121.647 118.700 -0.261 0.000 2.467 378 N HA 0.279 5.047 4.740 0.046 0.000 0.262 378 N C -2.224 173.228 175.510 -0.097 0.000 1.234 378 N CA -1.165 51.587 53.050 -0.498 0.000 0.952 378 N CB 0.500 38.031 38.487 -1.594 0.000 1.158 378 N HN 0.291 nan 8.380 nan 0.000 0.463 379 P HA 0.091 nan 4.420 nan 0.000 0.273 379 P C 0.082 177.572 177.300 0.316 0.000 1.250 379 P CA -0.076 63.220 63.100 0.327 0.000 0.793 379 P CB 1.025 32.963 31.700 0.397 0.000 1.011 380 D N -0.974 119.582 120.400 0.260 0.000 2.201 380 D HA -0.025 4.643 4.640 0.046 0.000 0.209 380 D C 0.488 176.966 176.300 0.297 0.000 0.961 380 D CA 1.370 55.521 54.000 0.252 0.000 0.861 380 D CB 0.189 41.077 40.800 0.147 0.000 0.997 380 D HN 0.391 nan 8.370 nan 0.000 0.486 381 N N -0.187 118.680 118.700 0.278 0.000 2.461 381 N HA 0.010 4.777 4.740 0.046 0.000 0.284 381 N C 0.033 175.753 175.510 0.350 0.000 1.049 381 N CA -0.336 52.892 53.050 0.295 0.000 0.889 381 N CB 1.533 40.160 38.487 0.233 0.000 1.365 381 N HN -0.159 nan 8.380 nan 0.000 0.499 382 F N 4.394 124.498 119.950 0.256 0.000 2.095 382 F HA -0.173 4.380 4.527 0.044 0.000 0.298 382 F C 1.695 177.635 175.800 0.233 0.000 1.104 382 F CA 1.517 59.672 58.000 0.258 0.000 1.232 382 F CB -0.122 39.002 39.000 0.208 0.000 0.987 382 F HN 0.603 nan 8.300 nan 0.000 0.475 383 F N 0.878 121.088 119.950 0.434 0.000 2.069 383 F HA -0.189 4.374 4.527 0.060 0.000 0.298 383 F C 2.341 178.205 175.800 0.107 0.000 1.113 383 F CA 1.923 60.086 58.000 0.271 0.000 1.214 383 F CB -0.948 38.181 39.000 0.214 0.000 0.978 383 F HN 0.004 nan 8.300 nan 0.000 0.474 384 A N -0.347 122.611 122.820 0.230 0.000 1.902 384 A HA -0.184 4.164 4.320 0.046 0.000 0.217 384 A C 2.079 179.595 177.584 -0.113 0.000 1.181 384 A CA 2.068 54.143 52.037 0.063 0.000 0.623 384 A CB -0.699 18.394 19.000 0.155 0.000 0.818 384 A HN 0.614 nan 8.150 nan 0.000 0.443 385 E N -1.480 118.668 120.200 -0.086 0.000 2.162 385 E HA -0.056 4.322 4.350 0.046 0.000 0.193 385 E C 1.914 178.427 176.600 -0.145 0.000 0.953 385 E CA 0.458 56.744 56.400 -0.191 0.000 0.849 385 E CB -0.082 29.561 29.700 -0.095 0.000 0.810 385 E HN 0.579 nan 8.360 nan 0.000 0.470 386 N N 1.294 119.897 118.700 -0.161 0.000 2.245 386 N HA -0.142 4.626 4.740 0.046 0.000 0.185 386 N C 1.816 177.163 175.510 -0.271 0.000 1.036 386 N CA 1.247 54.150 53.050 -0.245 0.000 0.857 386 N CB 0.106 38.065 38.487 -0.880 0.000 1.015 386 N HN -0.074 nan 8.380 nan 0.000 0.436 387 E N 0.917 120.896 120.200 -0.368 0.000 2.110 387 E HA -0.094 4.283 4.350 0.046 0.000 0.193 387 E C 1.764 178.189 176.600 -0.290 0.000 0.988 387 E CA 1.467 57.727 56.400 -0.234 0.000 0.804 387 E CB -0.167 29.419 29.700 -0.190 0.000 0.745 387 E HN 0.474 nan 8.360 nan 0.000 0.458 388 Q N -0.281 119.270 119.800 -0.415 0.000 2.435 388 Q HA 0.181 4.548 4.340 0.046 0.000 0.207 388 Q C 0.098 175.976 176.000 -0.203 0.000 0.956 388 Q CA 0.317 55.918 55.803 -0.336 0.000 0.917 388 Q CB 0.238 28.749 28.738 -0.379 0.000 0.997 388 Q HN 0.234 nan 8.270 nan 0.000 0.497 389 A N 1.078 123.799 122.820 -0.165 0.000 2.477 389 A HA 0.454 4.802 4.320 0.046 0.000 0.246 389 A C -0.204 177.256 177.584 -0.207 0.000 1.078 389 A CA 0.178 52.087 52.037 -0.212 0.000 0.770 389 A CB 0.259 19.199 19.000 -0.100 0.000 1.011 389 A HN 0.260 nan 8.150 nan 0.000 0.494 390 A N 2.361 125.006 122.820 -0.292 0.000 2.311 390 A HA 0.718 5.066 4.320 0.046 0.000 0.306 390 A C -0.843 176.619 177.584 -0.202 0.000 1.189 390 A CA -0.398 51.545 52.037 -0.157 0.000 0.791 390 A CB 0.357 19.279 19.000 -0.130 0.000 1.172 390 A HN 0.645 nan 8.150 nan 0.000 0.481 391 F N 0.968 120.936 119.950 0.031 0.000 2.480 391 F HA 0.662 5.216 4.527 0.045 0.000 0.329 391 F C 0.273 176.079 175.800 0.009 0.000 1.091 391 F CA -0.049 57.949 58.000 -0.003 0.000 0.972 391 F CB 2.129 41.071 39.000 -0.096 0.000 1.150 391 F HN 0.762 nan 8.300 nan 0.000 0.467 392 H N 3.281 122.244 119.070 -0.179 0.000 3.099 392 H HA 0.281 4.864 4.556 0.046 0.000 0.342 392 H C -2.497 172.457 175.328 -0.624 0.000 1.054 392 H CA -1.683 54.020 56.048 -0.574 0.000 1.328 392 H CB 2.715 32.057 29.762 -0.699 0.000 1.876 392 H HN 0.192 nan 8.280 nan 0.000 0.495 393 P HA 0.001 nan 4.420 nan 0.000 0.226 393 P C 1.189 178.347 177.300 -0.237 0.000 1.153 393 P CA 1.288 64.053 63.100 -0.558 0.000 0.777 393 P CB 0.129 31.548 31.700 -0.468 0.000 0.794 394 G N -0.833 107.601 108.800 -0.610 0.000 2.559 394 G HA2 -0.174 3.814 3.960 0.046 0.000 0.216 394 G HA3 -0.174 3.814 3.960 0.046 0.000 0.216 394 G C 0.514 175.630 174.900 0.359 0.000 1.126 394 G CA 0.025 45.179 45.100 0.090 0.000 0.778 394 G HN 0.438 nan 8.290 nan 0.000 0.543 395 H N 0.811 120.001 119.070 0.200 0.000 3.356 395 H HA 0.307 4.890 4.556 0.045 0.000 0.260 395 H C 0.628 176.067 175.328 0.186 0.000 1.570 395 H CA -0.734 55.404 56.048 0.151 0.000 1.547 395 H CB -0.242 29.574 29.762 0.089 0.000 1.774 395 H HN 0.393 nan 8.280 nan 0.000 0.542 396 I N -0.576 120.129 120.570 0.224 0.000 3.217 396 I HA 0.680 4.877 4.170 0.046 0.000 0.308 396 I C -0.122 175.979 176.117 -0.026 0.000 1.091 396 I CA -1.408 59.940 61.300 0.080 0.000 1.013 396 I CB 1.885 39.810 38.000 -0.124 0.000 1.250 396 I HN 0.086 nan 8.210 nan 0.000 0.496 397 V N -2.119 117.753 119.914 -0.070 0.000 3.102 397 V HA 0.679 4.827 4.120 0.046 0.000 0.312 397 V C -2.828 173.358 176.094 0.153 0.000 1.135 397 V CA -2.561 59.764 62.300 0.041 0.000 1.022 397 V CB 0.981 32.815 31.823 0.019 0.000 1.056 397 V HN 0.627 nan 8.190 nan 0.000 0.436 398 P HA 0.359 nan 4.420 nan 0.000 0.264 398 P C 0.905 178.204 177.300 -0.001 0.000 1.183 398 P CA 2.040 65.215 63.100 0.126 0.000 0.763 398 P CB 0.679 32.425 31.700 0.078 0.000 0.807 399 G N 1.577 110.330 108.800 -0.078 0.000 2.218 399 G HA2 -0.159 3.828 3.960 0.046 0.000 0.216 399 G HA3 -0.159 3.828 3.960 0.046 0.000 0.216 399 G C -0.267 174.545 174.900 -0.146 0.000 0.994 399 G CA -0.431 44.602 45.100 -0.112 0.000 0.637 399 G HN 0.447 nan 8.290 nan 0.000 0.505 400 L N 0.218 121.365 121.223 -0.127 0.000 2.341 400 L HA 0.896 5.264 4.340 0.046 0.000 0.267 400 L C -0.526 176.280 176.870 -0.106 0.000 1.009 400 L CA -1.035 53.706 54.840 -0.165 0.000 0.819 400 L CB 2.083 43.964 42.059 -0.297 0.000 1.323 400 L HN 0.116 nan 8.230 nan 0.000 0.425 401 D N -0.424 119.901 120.400 -0.125 0.000 2.677 401 D HA 0.476 5.144 4.640 0.046 0.000 0.298 401 D C -1.175 175.039 176.300 -0.142 0.000 1.250 401 D CA -0.355 53.525 54.000 -0.200 0.000 0.888 401 D CB 1.894 42.658 40.800 -0.061 0.000 1.397 401 D HN 0.117 nan 8.370 nan 0.000 0.461 402 F N -0.281 119.790 119.950 0.202 0.000 2.321 402 F HA 0.528 5.082 4.527 0.046 0.000 0.318 402 F C 1.485 177.296 175.800 0.019 0.000 1.129 402 F CA -0.236 57.794 58.000 0.050 0.000 1.074 402 F CB 1.142 40.146 39.000 0.007 0.000 1.432 402 F HN 0.241 nan 8.300 nan 0.000 0.502 403 T N -3.325 111.324 114.554 0.158 0.000 2.669 403 T HA 0.304 4.681 4.350 0.046 0.000 0.283 403 T C -0.113 174.633 174.700 0.076 0.000 1.019 403 T CA -0.963 61.225 62.100 0.146 0.000 1.039 403 T CB 1.061 70.000 68.868 0.118 0.000 1.374 403 T HN 0.338 nan 8.240 nan 0.000 0.523 404 N N 1.217 119.966 118.700 0.081 0.000 2.370 404 N HA 0.080 4.847 4.740 0.046 0.000 0.198 404 N C -0.030 175.500 175.510 0.034 0.000 1.156 404 N CA 0.022 53.102 53.050 0.049 0.000 0.839 404 N CB -0.395 38.134 38.487 0.070 0.000 0.989 404 N HN 0.675 nan 8.380 nan 0.000 0.468 405 D N 2.291 122.700 120.400 0.016 0.000 2.662 405 D HA -0.080 4.587 4.640 0.046 0.000 0.233 405 D C -1.489 174.823 176.300 0.020 0.000 1.129 405 D CA -0.790 53.244 54.000 0.056 0.000 0.851 405 D CB 1.275 42.074 40.800 -0.002 0.000 1.152 405 D HN 0.158 nan 8.370 nan 0.000 0.507 406 P HA -0.034 nan 4.420 nan 0.000 0.245 406 P C 1.404 178.726 177.300 0.036 0.000 1.206 406 P CA -0.070 63.050 63.100 0.034 0.000 0.781 406 P CB 0.474 32.181 31.700 0.011 0.000 0.994 407 L N -0.048 121.217 121.223 0.071 0.000 2.102 407 L HA 0.040 4.407 4.340 0.046 0.000 0.202 407 L C 2.338 179.130 176.870 -0.130 0.000 1.076 407 L CA 1.167 56.034 54.840 0.045 0.000 0.761 407 L CB -1.478 40.685 42.059 0.173 0.000 0.921 407 L HN -0.169 nan 8.230 nan 0.000 0.444 408 L N -0.518 120.491 121.223 -0.358 0.000 2.042 408 L HA -0.240 4.127 4.340 0.046 0.000 0.210 408 L C 2.439 179.059 176.870 -0.416 0.000 1.076 408 L CA 1.807 56.225 54.840 -0.702 0.000 0.749 408 L CB -0.855 40.558 42.059 -1.077 0.000 0.893 408 L HN 0.375 nan 8.230 nan 0.000 0.432 409 Q N -0.184 119.449 119.800 -0.278 0.000 2.112 409 Q HA -0.172 4.195 4.340 0.046 0.000 0.206 409 Q C 2.099 178.016 176.000 -0.137 0.000 0.987 409 Q CA 1.854 57.531 55.803 -0.209 0.000 0.858 409 Q CB -0.760 27.909 28.738 -0.115 0.000 0.905 409 Q HN 0.719 nan 8.270 nan 0.000 0.420 410 G N 0.441 109.191 108.800 -0.082 0.000 2.430 410 G HA2 -0.198 3.790 3.960 0.046 0.000 0.216 410 G HA3 -0.198 3.790 3.960 0.046 0.000 0.216 410 G C 1.482 176.397 174.900 0.024 0.000 1.146 410 G CA 0.169 45.267 45.100 -0.002 0.000 0.793 410 G HN 0.247 nan 8.290 nan 0.000 0.537 411 R N 0.013 120.471 120.500 -0.070 0.000 2.119 411 R HA -0.068 4.299 4.340 0.046 0.000 0.246 411 R C 2.489 178.859 176.300 0.118 0.000 1.146 411 R CA 1.212 57.326 56.100 0.023 0.000 0.962 411 R CB -0.568 29.685 30.300 -0.078 0.000 0.863 411 R HN 0.345 nan 8.270 nan 0.000 0.442 412 L N -0.490 120.695 121.223 -0.063 0.000 2.127 412 L HA -0.208 4.160 4.340 0.046 0.000 0.211 412 L C 2.307 179.298 176.870 0.201 0.000 1.089 412 L CA 1.134 55.958 54.840 -0.026 0.000 0.757 412 L CB -0.471 41.420 42.059 -0.279 0.000 0.899 412 L HN 0.165 nan 8.230 nan 0.000 0.434 413 F N 0.141 120.118 119.950 0.046 0.000 2.128 413 F HA -0.184 4.371 4.527 0.047 0.000 0.295 413 F C 2.813 178.649 175.800 0.060 0.000 1.100 413 F CA 1.600 59.624 58.000 0.039 0.000 1.260 413 F CB -0.256 38.748 39.000 0.007 0.000 1.009 413 F HN -0.062 nan 8.300 nan 0.000 0.476 414 S N -0.658 115.055 115.700 0.022 0.000 2.356 414 S HA -0.238 4.259 4.470 0.046 0.000 0.223 414 S C 2.048 176.523 174.600 -0.208 0.000 1.032 414 S CA 1.588 59.697 58.200 -0.153 0.000 1.005 414 S CB -0.833 62.312 63.200 -0.092 0.000 0.867 414 S HN 0.548 nan 8.310 nan 0.000 0.449 415 Y N 1.379 121.666 120.300 -0.021 0.000 2.497 415 Y HA -0.024 4.553 4.550 0.046 0.000 0.292 415 Y C 2.800 178.333 175.900 -0.612 0.000 1.137 415 Y CA 1.135 59.219 58.100 -0.027 0.000 1.285 415 Y CB -0.406 38.990 38.460 1.561 0.000 0.991 415 Y HN 0.293 nan 8.280 nan 0.000 0.556 416 T N -0.841 113.298 114.554 -0.692 0.000 2.814 416 T HA -0.158 4.219 4.350 0.046 0.000 0.254 416 T C 1.415 175.887 174.700 -0.379 0.000 1.037 416 T CA 1.397 63.200 62.100 -0.496 0.000 1.143 416 T CB -0.402 68.247 68.868 -0.364 0.000 0.866 416 T HN 0.298 nan 8.240 nan 0.000 0.431 417 D N 0.920 121.037 120.400 -0.472 0.000 2.126 417 D HA -0.157 4.511 4.640 0.046 0.000 0.190 417 D C 2.250 178.382 176.300 -0.279 0.000 1.001 417 D CA 1.834 55.579 54.000 -0.426 0.000 0.841 417 D CB -0.557 39.802 40.800 -0.735 0.000 0.949 417 D HN 0.255 nan 8.370 nan 0.000 0.446 418 T N -1.003 113.379 114.554 -0.286 0.000 2.803 418 T HA -0.156 4.221 4.350 0.046 0.000 0.269 418 T C 1.648 176.215 174.700 -0.222 0.000 1.052 418 T CA 1.324 63.299 62.100 -0.209 0.000 1.136 418 T CB -0.230 68.516 68.868 -0.204 0.000 0.864 418 T HN 0.174 nan 8.240 nan 0.000 0.467 419 Q N 0.576 120.168 119.800 -0.347 0.000 2.291 419 Q HA -0.012 4.356 4.340 0.046 0.000 0.206 419 Q C 2.225 178.097 176.000 -0.214 0.000 0.976 419 Q CA 0.749 56.287 55.803 -0.441 0.000 0.875 419 Q CB -0.417 27.632 28.738 -1.148 0.000 0.927 419 Q HN 0.516 nan 8.270 nan 0.000 0.450 420 I N 0.982 121.478 120.570 -0.122 0.000 2.315 420 I HA -0.185 4.012 4.170 0.046 0.000 0.248 420 I C 2.353 178.463 176.117 -0.012 0.000 1.117 420 I CA 1.563 62.854 61.300 -0.014 0.000 1.404 420 I CB -1.334 36.666 38.000 -0.001 0.000 1.071 420 I HN 0.189 nan 8.210 nan 0.000 0.419 421 S N 0.576 116.255 115.700 -0.035 0.000 2.404 421 S HA -0.097 4.400 4.470 0.046 0.000 0.223 421 S C 2.188 176.774 174.600 -0.022 0.000 1.040 421 S CA 0.302 58.492 58.200 -0.016 0.000 0.957 421 S CB -0.405 62.789 63.200 -0.010 0.000 0.826 421 S HN 0.322 nan 8.310 nan 0.000 0.491 422 R N 0.963 121.431 120.500 -0.054 0.000 2.081 422 R HA 0.151 4.519 4.340 0.046 0.000 0.235 422 R C 1.426 177.702 176.300 -0.040 0.000 1.131 422 R CA 1.432 57.503 56.100 -0.048 0.000 0.960 422 R CB -0.248 30.002 30.300 -0.084 0.000 0.856 422 R HN 0.461 nan 8.270 nan 0.000 0.436 423 L N -0.789 120.399 121.223 -0.058 0.000 2.769 423 L HA 0.341 4.709 4.340 0.046 0.000 0.240 423 L C 0.829 177.713 176.870 0.025 0.000 1.163 423 L CA 0.303 55.129 54.840 -0.023 0.000 0.962 423 L CB 1.136 43.174 42.059 -0.035 0.000 1.258 423 L HN 0.592 nan 8.230 nan 0.000 0.513 424 G N -0.059 108.755 108.800 0.024 0.000 2.176 424 G HA2 -0.116 3.872 3.960 0.046 0.000 0.253 424 G HA3 -0.116 3.872 3.960 0.046 0.000 0.253 424 G C 0.457 175.394 174.900 0.062 0.000 0.979 424 G CA -0.010 45.113 45.100 0.038 0.000 0.641 424 G HN 0.796 nan 8.290 nan 0.000 0.530 425 G N -1.479 107.378 108.800 0.095 0.000 2.352 425 G HA2 0.572 4.560 3.960 0.046 0.000 0.283 425 G HA3 0.572 4.560 3.960 0.046 0.000 0.283 425 G C -2.306 172.727 174.900 0.221 0.000 1.308 425 G CA 0.400 45.573 45.100 0.122 0.000 0.892 425 G HN 0.509 nan 8.290 nan 0.000 0.504 426 P HA 0.157 nan 4.420 nan 0.000 0.255 426 P C 0.207 177.514 177.300 0.012 0.000 1.248 426 P CA 0.257 63.454 63.100 0.161 0.000 0.807 426 P CB 0.251 32.006 31.700 0.091 0.000 1.150 427 N N 0.509 119.219 118.700 0.015 0.000 2.327 427 N HA 0.062 4.829 4.740 0.046 0.000 0.231 427 N C 1.061 176.417 175.510 -0.257 0.000 1.130 427 N CA -0.172 52.791 53.050 -0.145 0.000 0.845 427 N CB -0.648 37.792 38.487 -0.079 0.000 1.073 427 N HN 0.263 nan 8.380 nan 0.000 0.496 428 F N 0.722 120.650 119.950 -0.038 0.000 2.333 428 F HA -0.085 4.469 4.527 0.045 0.000 0.300 428 F C 2.223 177.954 175.800 -0.114 0.000 1.083 428 F CA 0.814 58.767 58.000 -0.080 0.000 1.395 428 F CB -0.767 38.203 39.000 -0.050 0.000 1.056 428 F HN 0.170 nan 8.300 nan 0.000 0.529 429 H N 0.463 119.147 119.070 -0.642 0.000 2.546 429 H HA 0.055 4.639 4.556 0.047 0.000 0.277 429 H C 0.888 176.066 175.328 -0.250 0.000 1.004 429 H CA 1.310 57.101 56.048 -0.429 0.000 1.231 429 H CB -0.821 28.561 29.762 -0.635 0.000 1.382 429 H HN 0.529 nan 8.280 nan 0.000 0.580 430 E N 0.928 120.664 120.200 -0.774 0.000 2.478 430 E HA 0.157 4.535 4.350 0.046 0.000 0.194 430 E C 0.339 176.824 176.600 -0.192 0.000 1.045 430 E CA -0.255 55.892 56.400 -0.422 0.000 0.868 430 E CB 0.438 29.905 29.700 -0.387 0.000 0.885 430 E HN 0.441 nan 8.360 nan 0.000 0.505 431 I N 2.571 123.045 120.570 -0.161 0.000 2.618 431 I HA -0.052 4.145 4.170 0.046 0.000 0.284 431 I C -1.526 174.530 176.117 -0.102 0.000 1.146 431 I CA -1.448 59.788 61.300 -0.107 0.000 1.425 431 I CB 0.627 38.575 38.000 -0.086 0.000 1.383 431 I HN -0.191 nan 8.210 nan 0.000 0.562 432 P HA -0.234 nan 4.420 nan 0.000 0.216 432 P C 1.720 178.948 177.300 -0.121 0.000 1.157 432 P CA 1.239 64.283 63.100 -0.094 0.000 0.880 432 P CB 0.167 31.819 31.700 -0.081 0.000 0.791 433 I N -0.606 119.864 120.570 -0.168 0.000 2.454 433 I HA -0.186 4.011 4.170 0.046 0.000 0.254 433 I C 1.297 177.346 176.117 -0.114 0.000 1.156 433 I CA 1.669 62.821 61.300 -0.246 0.000 1.433 433 I CB -0.703 37.038 38.000 -0.432 0.000 1.082 433 I HN -0.116 nan 8.210 nan 0.000 0.432 434 N N 0.724 119.368 118.700 -0.094 0.000 2.463 434 N HA 0.023 4.790 4.740 0.046 0.000 0.181 434 N C 0.308 175.826 175.510 0.014 0.000 1.078 434 N CA 0.229 53.251 53.050 -0.046 0.000 0.902 434 N CB -0.168 38.305 38.487 -0.022 0.000 0.970 434 N HN 0.379 nan 8.380 nan 0.000 0.451 435 R N 1.687 122.197 120.500 0.017 0.000 2.537 435 R HA 0.137 4.505 4.340 0.046 0.000 0.280 435 R C -2.192 174.184 176.300 0.127 0.000 1.058 435 R CA -1.169 54.951 56.100 0.033 0.000 1.057 435 R CB -0.071 30.232 30.300 0.006 0.000 0.973 435 R HN 0.051 nan 8.270 nan 0.000 0.438 436 P HA -0.016 nan 4.420 nan 0.000 0.269 436 P C 0.571 177.955 177.300 0.140 0.000 1.215 436 P CA -0.059 63.130 63.100 0.148 0.000 0.780 436 P CB 0.679 32.419 31.700 0.066 0.000 0.898 437 T N -1.824 112.826 114.554 0.159 0.000 3.054 437 T HA 0.224 4.602 4.350 0.046 0.000 0.259 437 T C 0.965 175.718 174.700 0.088 0.000 1.092 437 T CA 0.153 62.302 62.100 0.081 0.000 1.121 437 T CB -0.397 68.508 68.868 0.061 0.000 0.912 437 T HN 0.480 nan 8.240 nan 0.000 0.489 438 A N 2.945 125.831 122.820 0.111 0.000 2.406 438 A HA 0.549 4.897 4.320 0.046 0.000 0.243 438 A C -2.217 175.428 177.584 0.102 0.000 1.082 438 A CA -1.286 50.812 52.037 0.101 0.000 0.786 438 A CB -0.427 18.635 19.000 0.103 0.000 1.029 438 A HN 0.284 nan 8.150 nan 0.000 0.495 439 P HA 0.338 nan 4.420 nan 0.000 0.271 439 P C -1.093 176.274 177.300 0.111 0.000 1.218 439 P CA 0.544 63.705 63.100 0.101 0.000 0.780 439 P CB 0.195 32.002 31.700 0.178 0.000 0.901 440 Y N 0.643 120.822 120.300 -0.201 0.000 2.396 440 Y HA 0.665 5.242 4.550 0.045 0.000 0.332 440 Y C -1.484 174.074 175.900 -0.569 0.000 1.034 440 Y CA -0.895 57.069 58.100 -0.226 0.000 1.057 440 Y CB 1.419 39.774 38.460 -0.176 0.000 1.220 440 Y HN 0.448 nan 8.280 nan 0.000 0.440 441 H N 3.807 122.778 119.070 -0.165 0.000 3.026 441 H HA 0.527 5.111 4.556 0.047 0.000 0.352 441 H C -1.209 174.011 175.328 -0.181 0.000 1.090 441 H CA -0.772 55.102 56.048 -0.290 0.000 1.268 441 H CB 1.660 31.283 29.762 -0.232 0.000 1.816 441 H HN 0.902 nan 8.280 nan 0.000 0.518 442 N N 0.429 119.028 118.700 -0.169 0.000 3.441 442 N HA 0.157 4.925 4.740 0.046 0.000 0.313 442 N C -1.215 174.044 175.510 -0.419 0.000 1.526 442 N CA -0.929 51.963 53.050 -0.263 0.000 0.871 442 N CB 0.552 39.048 38.487 0.015 0.000 1.779 442 N HN 0.302 nan 8.380 nan 0.000 0.529 443 F N -0.247 119.748 119.950 0.075 0.000 2.664 443 F HA 0.356 4.911 4.527 0.046 0.000 0.303 443 F C 0.518 176.362 175.800 0.074 0.000 1.092 443 F CA -0.324 57.715 58.000 0.064 0.000 1.305 443 F CB 0.182 39.214 39.000 0.054 0.000 1.054 443 F HN 0.135 nan 8.300 nan 0.000 0.565 444 Q N 1.553 121.460 119.800 0.179 0.000 2.352 444 Q HA 0.406 4.773 4.340 0.046 0.000 0.260 444 Q C 0.024 176.100 176.000 0.126 0.000 0.976 444 Q CA -0.030 55.857 55.803 0.141 0.000 0.881 444 Q CB 1.010 29.805 28.738 0.095 0.000 1.235 444 Q HN 0.088 nan 8.270 nan 0.000 0.419 445 R N 1.622 122.190 120.500 0.113 0.000 2.774 445 R HA 0.348 4.716 4.340 0.046 0.000 0.272 445 R C -0.715 175.633 176.300 0.080 0.000 1.000 445 R CA -0.634 55.524 56.100 0.097 0.000 0.906 445 R CB 1.283 31.643 30.300 0.099 0.000 1.227 445 R HN 0.723 nan 8.270 nan 0.000 0.468 446 D N -0.167 120.273 120.400 0.066 0.000 3.455 446 D HA -0.163 4.504 4.640 0.046 0.000 0.216 446 D C 0.404 176.737 176.300 0.054 0.000 1.510 446 D CA 1.935 55.965 54.000 0.052 0.000 1.128 446 D CB -1.087 39.743 40.800 0.049 0.000 0.680 446 D HN 0.911 nan 8.370 nan 0.000 0.828 447 G N -1.394 107.436 108.800 0.050 0.000 2.758 447 G HA2 0.169 4.157 3.960 0.046 0.000 0.686 447 G HA3 0.169 4.157 3.960 0.046 0.000 0.686 447 G C -0.288 174.644 174.900 0.053 0.000 1.389 447 G CA 0.065 45.198 45.100 0.054 0.000 0.845 447 G HN 0.796 nan 8.290 nan 0.000 0.572 448 M N 1.049 120.687 119.600 0.063 0.000 2.248 448 M HA 0.474 4.982 4.480 0.046 0.000 0.345 448 M C 1.097 177.473 176.300 0.127 0.000 1.243 448 M CA 1.245 56.592 55.300 0.078 0.000 1.090 448 M CB -0.614 32.033 32.600 0.079 0.000 1.683 448 M HN 1.634 nan 8.290 nan 0.000 0.450 449 H N 1.001 120.075 119.070 0.007 0.000 2.692 449 H HA -0.198 4.384 4.556 0.044 0.000 0.316 449 H C -0.602 174.719 175.328 -0.013 0.000 1.176 449 H CA 0.625 56.673 56.048 0.000 0.000 1.142 449 H CB -0.636 29.129 29.762 0.004 0.000 1.475 449 H HN 0.656 nan 8.280 nan 0.000 0.423 450 R N 1.387 121.905 120.500 0.030 0.000 2.473 450 R HA -0.015 4.353 4.340 0.046 0.000 0.315 450 R C 1.012 177.305 176.300 -0.011 0.000 0.972 450 R CA 0.356 56.465 56.100 0.016 0.000 1.047 450 R CB 0.173 30.481 30.300 0.013 0.000 0.932 450 R HN 0.440 nan 8.270 nan 0.000 0.411 451 M N 2.678 122.287 119.600 0.015 0.000 2.412 451 M HA 0.190 4.697 4.480 0.046 0.000 0.263 451 M C 1.037 177.333 176.300 -0.007 0.000 1.122 451 M CA 1.102 56.406 55.300 0.006 0.000 1.179 451 M CB -0.844 31.771 32.600 0.025 0.000 1.335 451 M HN 0.672 nan 8.290 nan 0.000 0.465 452 G N 1.789 110.591 108.800 0.004 0.000 2.378 452 G HA2 0.426 4.413 3.960 0.046 0.000 0.255 452 G HA3 0.426 4.413 3.960 0.046 0.000 0.255 452 G C -0.394 174.500 174.900 -0.010 0.000 1.270 452 G CA -0.410 44.685 45.100 -0.008 0.000 0.876 452 G HN 0.313 nan 8.290 nan 0.000 0.521 453 I N 2.785 123.342 120.570 -0.021 0.000 2.337 453 I HA 0.106 4.303 4.170 0.046 0.000 0.285 453 I C -0.328 175.778 176.117 -0.019 0.000 1.041 453 I CA -0.555 60.736 61.300 -0.015 0.000 1.199 453 I CB 0.981 38.972 38.000 -0.016 0.000 1.370 453 I HN 0.347 nan 8.210 nan 0.000 0.470 454 D N 4.875 125.269 120.400 -0.010 0.000 2.348 454 D HA 0.058 4.726 4.640 0.046 0.000 0.253 454 D C 1.240 177.541 176.300 0.000 0.000 1.161 454 D CA 0.253 54.245 54.000 -0.012 0.000 0.876 454 D CB 1.819 42.620 40.800 0.002 0.000 1.160 454 D HN 0.564 nan 8.370 nan 0.000 0.459 455 T N -0.667 113.883 114.554 -0.007 0.000 3.060 455 T HA -0.064 4.313 4.350 0.046 0.000 0.249 455 T C 0.886 175.592 174.700 0.011 0.000 1.079 455 T CA -0.524 61.576 62.100 0.000 0.000 1.013 455 T CB 0.172 69.033 68.868 -0.011 0.000 0.975 455 T HN 0.125 nan 8.240 nan 0.000 0.518 456 N N 3.376 122.084 118.700 0.013 0.000 2.359 456 N HA 0.060 4.827 4.740 0.046 0.000 0.261 456 N C -1.652 173.896 175.510 0.064 0.000 1.267 456 N CA -1.362 51.710 53.050 0.036 0.000 0.864 456 N CB 1.387 39.897 38.487 0.038 0.000 1.063 456 N HN 0.077 nan 8.380 nan 0.000 0.474 457 P HA -0.024 nan 4.420 nan 0.000 0.219 457 P C -0.525 176.833 177.300 0.098 0.000 1.146 457 P CA 0.926 64.070 63.100 0.075 0.000 0.808 457 P CB 0.216 31.956 31.700 0.066 0.000 0.779 458 A N 0.641 123.509 122.820 0.081 0.000 2.312 458 A HA 0.440 4.788 4.320 0.046 0.000 0.326 458 A C 0.440 178.131 177.584 0.178 0.000 1.172 458 A CA -0.653 51.384 52.037 -0.001 0.000 0.821 458 A CB 0.133 18.951 19.000 -0.304 0.000 1.166 458 A HN 0.267 nan 8.150 nan 0.000 0.493 459 N N -0.081 118.763 118.700 0.240 0.000 2.365 459 N HA 0.358 5.125 4.740 0.046 0.000 0.257 459 N C -0.881 174.817 175.510 0.314 0.000 1.287 459 N CA -0.371 52.912 53.050 0.390 0.000 0.882 459 N CB 0.348 39.007 38.487 0.286 0.000 1.250 459 N HN 0.684 nan 8.380 nan 0.000 0.507 460 Y N -1.001 119.191 120.300 -0.180 0.000 2.625 460 Y HA 0.702 5.279 4.550 0.046 0.000 0.338 460 Y C -1.367 173.912 175.900 -1.034 0.000 1.123 460 Y CA -1.381 56.420 58.100 -0.499 0.000 1.046 460 Y CB 1.017 39.344 38.460 -0.220 0.000 1.299 460 Y HN 0.064 nan 8.280 nan 0.000 0.464 461 E N 0.506 120.209 120.200 -0.829 0.000 2.383 461 E HA 0.653 5.031 4.350 0.046 0.000 0.275 461 E C -3.140 173.352 176.600 -0.180 0.000 0.918 461 E CA -2.087 53.938 56.400 -0.626 0.000 0.764 461 E CB 1.453 30.707 29.700 -0.743 0.000 1.252 461 E HN 0.555 nan 8.360 nan 0.000 0.449 462 P HA 0.266 nan 4.420 nan 0.000 0.271 462 P C -1.259 175.998 177.300 -0.072 0.000 1.218 462 P CA -0.382 62.648 63.100 -0.116 0.000 0.780 462 P CB 0.382 32.049 31.700 -0.055 0.000 0.901 463 N N -1.423 117.161 118.700 -0.194 0.000 2.229 463 N HA 0.352 5.119 4.740 0.046 0.000 0.298 463 N C 0.235 175.700 175.510 -0.076 0.000 1.114 463 N CA -0.773 52.178 53.050 -0.164 0.000 0.776 463 N CB 1.448 39.537 38.487 -0.663 0.000 1.501 463 N HN 0.186 nan 8.380 nan 0.000 0.474 464 S N 0.578 116.282 115.700 0.007 0.000 2.502 464 S HA 0.011 4.509 4.470 0.046 0.000 0.215 464 S C 1.447 176.061 174.600 0.023 0.000 1.009 464 S CA -0.036 58.168 58.200 0.007 0.000 0.908 464 S CB -0.783 62.433 63.200 0.026 0.000 0.801 464 S HN 0.711 nan 8.310 nan 0.000 0.505 465 I N -1.131 119.458 120.570 0.032 0.000 2.928 465 I HA 0.295 4.492 4.170 0.046 0.000 0.266 465 I C 1.185 177.334 176.117 0.052 0.000 1.234 465 I CA 0.922 62.254 61.300 0.053 0.000 1.483 465 I CB -0.327 37.724 38.000 0.085 0.000 1.097 465 I HN 0.147 nan 8.210 nan 0.000 0.455 466 N N 1.342 120.068 118.700 0.044 0.000 2.351 466 N HA 0.047 4.815 4.740 0.046 0.000 0.254 466 N C -0.069 175.545 175.510 0.173 0.000 1.241 466 N CA -0.060 53.058 53.050 0.114 0.000 0.883 466 N CB -0.095 38.472 38.487 0.134 0.000 1.202 466 N HN 0.181 nan 8.380 nan 0.000 0.512 467 D N 0.719 121.171 120.400 0.087 0.000 2.811 467 D HA -0.267 4.400 4.640 0.046 0.000 0.231 467 D C -0.039 176.149 176.300 -0.187 0.000 1.157 467 D CA 1.164 55.181 54.000 0.028 0.000 0.716 467 D CB -1.259 39.647 40.800 0.177 0.000 1.077 467 D HN 0.513 nan 8.370 nan 0.000 0.428 468 N N -1.830 116.791 118.700 -0.131 0.000 2.800 468 N HA -0.243 4.525 4.740 0.046 0.000 0.250 468 N C -0.826 174.589 175.510 -0.159 0.000 1.078 468 N CA 1.403 54.341 53.050 -0.187 0.000 0.804 468 N CB -1.322 37.016 38.487 -0.248 0.000 1.135 468 N HN 0.526 nan 8.380 nan 0.000 0.565 469 W N 1.051 122.406 121.300 0.091 0.000 2.381 469 W HA 0.457 5.144 4.660 0.046 0.000 0.329 469 W C -1.640 174.928 176.519 0.082 0.000 1.157 469 W CA -1.619 55.763 57.345 0.061 0.000 1.240 469 W CB 0.549 29.992 29.460 -0.027 0.000 1.199 469 W HN -0.040 nan 8.180 nan 0.000 0.579 470 P HA 0.173 nan 4.420 nan 0.000 0.275 470 P C -0.684 176.758 177.300 0.237 0.000 1.228 470 P CA -0.084 63.158 63.100 0.237 0.000 0.786 470 P CB 0.988 32.678 31.700 -0.017 0.000 0.927 471 R N 1.218 121.837 120.500 0.197 0.000 2.604 471 R HA 0.303 4.670 4.340 0.046 0.000 0.287 471 R C 0.401 176.735 176.300 0.057 0.000 0.970 471 R CA -0.818 55.268 56.100 -0.023 0.000 0.946 471 R CB 1.181 31.252 30.300 -0.382 0.000 1.127 471 R HN 0.507 nan 8.270 nan 0.000 0.473 472 E N 0.656 120.878 120.200 0.038 0.000 2.438 472 E HA -0.006 4.372 4.350 0.046 0.000 0.261 472 E C -0.536 176.089 176.600 0.040 0.000 1.103 472 E CA 0.794 57.226 56.400 0.054 0.000 0.959 472 E CB 0.585 30.306 29.700 0.035 0.000 0.958 472 E HN 0.352 nan 8.360 nan 0.000 0.447 473 T N 3.385 117.974 114.554 0.058 0.000 2.881 473 T HA 0.314 4.692 4.350 0.046 0.000 0.291 473 T C -2.456 172.270 174.700 0.043 0.000 0.990 473 T CA -1.460 60.672 62.100 0.054 0.000 0.976 473 T CB 1.492 70.405 68.868 0.075 0.000 0.970 473 T HN 0.232 nan 8.240 nan 0.000 0.438 474 P HA 0.199 nan 4.420 nan 0.000 0.268 474 P C -2.375 174.932 177.300 0.012 0.000 1.208 474 P CA -1.037 62.072 63.100 0.015 0.000 0.777 474 P CB -0.246 31.458 31.700 0.006 0.000 0.875 475 P HA 0.270 nan 4.420 nan 0.000 0.270 475 P C 0.015 177.304 177.300 -0.018 0.000 1.223 475 P CA 0.339 63.424 63.100 -0.024 0.000 0.785 475 P CB 0.641 32.305 31.700 -0.061 0.000 0.923 476 G N 0.327 109.115 108.800 -0.021 0.000 2.489 476 G HA2 0.379 4.366 3.960 0.046 0.000 0.305 476 G HA3 0.379 4.366 3.960 0.046 0.000 0.305 476 G C -2.624 172.266 174.900 -0.018 0.000 1.311 476 G CA -0.687 44.404 45.100 -0.015 0.000 0.813 476 G HN 0.097 nan 8.290 nan 0.000 0.480 477 P HA 0.129 nan 4.420 nan 0.000 0.219 477 P C 0.107 177.402 177.300 -0.008 0.000 1.150 477 P CA 1.105 64.196 63.100 -0.015 0.000 0.814 477 P CB 0.197 31.891 31.700 -0.011 0.000 0.787 478 K N -1.059 119.343 120.400 0.004 0.000 2.464 478 K HA 0.392 4.739 4.320 0.046 0.000 0.253 478 K C -0.182 176.434 176.600 0.027 0.000 0.933 478 K CA -0.916 55.381 56.287 0.016 0.000 0.801 478 K CB 2.146 34.657 32.500 0.019 0.000 1.271 478 K HN -0.341 nan 8.250 nan 0.000 0.430 479 R N -0.466 120.058 120.500 0.040 0.000 3.758 479 R HA -0.140 4.228 4.340 0.046 0.000 0.299 479 R C 0.013 176.345 176.300 0.053 0.000 1.182 479 R CA 0.993 57.125 56.100 0.053 0.000 0.809 479 R CB -2.208 28.123 30.300 0.051 0.000 1.249 479 R HN 1.013 nan 8.270 nan 0.000 0.497 480 G N -0.760 108.066 108.800 0.043 0.000 2.462 480 G HA2 0.600 4.588 3.960 0.046 0.000 0.319 480 G HA3 0.600 4.588 3.960 0.046 0.000 0.319 480 G C 0.390 175.324 174.900 0.058 0.000 1.171 480 G CA 0.088 45.211 45.100 0.039 0.000 0.920 480 G HN 0.248 nan 8.290 nan 0.000 0.499 481 G N -1.104 107.732 108.800 0.060 0.000 2.594 481 G HA2 0.371 4.359 3.960 0.046 0.000 0.243 481 G HA3 0.371 4.359 3.960 0.046 0.000 0.243 481 G C -0.507 174.451 174.900 0.098 0.000 1.229 481 G CA -0.498 44.660 45.100 0.096 0.000 0.843 481 G HN 0.469 nan 8.290 nan 0.000 0.578 482 F N 0.622 120.589 119.950 0.028 0.000 2.504 482 F HA 0.347 4.902 4.527 0.047 0.000 0.369 482 F C 0.605 176.421 175.800 0.026 0.000 1.082 482 F CA -0.112 57.900 58.000 0.020 0.000 1.216 482 F CB 0.762 39.777 39.000 0.025 0.000 1.108 482 F HN 0.462 nan 8.300 nan 0.000 0.554 483 E N 4.203 124.035 120.200 -0.614 0.000 2.234 483 E HA 0.323 4.701 4.350 0.046 0.000 0.266 483 E C -1.099 175.146 176.600 -0.591 0.000 0.877 483 E CA -0.813 55.379 56.400 -0.346 0.000 0.758 483 E CB 1.542 31.128 29.700 -0.188 0.000 1.170 483 E HN 0.611 nan 8.360 nan 0.000 0.415 484 S N 2.511 118.105 115.700 -0.177 0.000 2.576 484 S HA 0.007 4.505 4.470 0.046 0.000 0.276 484 S C -0.566 174.014 174.600 -0.032 0.000 1.339 484 S CA -0.355 57.827 58.200 -0.030 0.000 1.039 484 S CB 0.152 63.473 63.200 0.202 0.000 0.902 484 S HN 0.475 nan 8.310 nan 0.000 0.516 485 Y N 2.504 122.734 120.300 -0.116 0.000 2.620 485 Y HA -0.012 4.566 4.550 0.046 0.000 0.330 485 Y C 0.846 176.725 175.900 -0.035 0.000 1.186 485 Y CA 0.105 58.150 58.100 -0.092 0.000 1.467 485 Y CB 0.168 38.571 38.460 -0.095 0.000 1.262 485 Y HN 0.584 nan 8.280 nan 0.000 0.550 486 Q N 5.286 124.710 119.800 -0.627 0.000 3.254 486 Q HA 0.009 4.377 4.340 0.046 0.000 0.315 486 Q C -0.230 175.447 176.000 -0.538 0.000 1.405 486 Q CA -0.007 55.531 55.803 -0.441 0.000 0.966 486 Q CB -0.215 28.343 28.738 -0.299 0.000 1.706 486 Q HN 0.645 nan 8.270 nan 0.000 0.525 487 E N 1.502 121.465 120.200 -0.396 0.000 2.392 487 E HA 0.012 4.390 4.350 0.046 0.000 0.264 487 E C -0.123 176.434 176.600 -0.072 0.000 1.024 487 E CA -0.556 55.743 56.400 -0.169 0.000 0.903 487 E CB 0.647 30.402 29.700 0.092 0.000 0.963 487 E HN 0.144 nan 8.360 nan 0.000 0.432 488 R N 3.008 123.492 120.500 -0.027 0.000 2.442 488 R HA 0.194 4.562 4.340 0.046 0.000 0.291 488 R C -1.565 174.756 176.300 0.034 0.000 1.069 488 R CA -0.146 55.954 56.100 -0.000 0.000 1.022 488 R CB 0.754 31.063 30.300 0.016 0.000 0.976 488 R HN 0.264 nan 8.270 nan 0.000 0.443 489 V N 4.725 124.653 119.914 0.023 0.000 2.540 489 V HA 0.486 4.634 4.120 0.046 0.000 0.302 489 V C -0.577 175.530 176.094 0.022 0.000 1.035 489 V CA -0.665 61.654 62.300 0.031 0.000 0.873 489 V CB 1.530 33.368 31.823 0.026 0.000 0.992 489 V HN 0.897 nan 8.190 nan 0.000 0.428 490 E N 2.808 123.022 120.200 0.024 0.000 2.307 490 E HA 0.651 5.029 4.350 0.046 0.000 0.280 490 E C -0.499 176.107 176.600 0.010 0.000 0.900 490 E CA -0.078 56.330 56.400 0.014 0.000 0.790 490 E CB 1.995 31.704 29.700 0.014 0.000 1.261 490 E HN 1.025 nan 8.360 nan 0.000 0.405 491 G N 2.709 111.510 108.800 0.002 0.000 2.324 491 G HA2 0.089 4.077 3.960 0.046 0.000 0.293 491 G HA3 0.089 4.077 3.960 0.046 0.000 0.293 491 G C -1.473 173.422 174.900 -0.009 0.000 1.297 491 G CA -0.948 44.149 45.100 -0.004 0.000 0.853 491 G HN 0.432 nan 8.290 nan 0.000 0.535 492 N N 0.128 118.819 118.700 -0.014 0.000 2.476 492 N HA 0.357 5.125 4.740 0.046 0.000 0.275 492 N C -0.226 175.272 175.510 -0.020 0.000 1.190 492 N CA -0.321 52.719 53.050 -0.016 0.000 0.977 492 N CB 0.980 39.457 38.487 -0.017 0.000 1.200 492 N HN 0.472 nan 8.380 nan 0.000 0.515 493 K N 0.950 121.337 120.400 -0.021 0.000 2.336 493 K HA 0.189 4.537 4.320 0.046 0.000 0.290 493 K C -0.370 176.209 176.600 -0.034 0.000 1.067 493 K CA -0.153 56.118 56.287 -0.027 0.000 0.962 493 K CB -0.117 32.368 32.500 -0.024 0.000 1.008 493 K HN 0.345 nan 8.250 nan 0.000 0.467 494 V N 0.297 120.186 119.914 -0.042 0.000 2.962 494 V HA 0.495 4.642 4.120 0.046 0.000 0.313 494 V C -0.502 175.553 176.094 -0.065 0.000 1.099 494 V CA -1.370 60.901 62.300 -0.049 0.000 0.971 494 V CB 2.037 33.833 31.823 -0.046 0.000 1.028 494 V HN 0.606 nan 8.190 nan 0.000 0.430 495 R N 2.162 122.619 120.500 -0.071 0.000 2.522 495 R HA 0.610 4.977 4.340 0.046 0.000 0.290 495 R C -0.525 175.727 176.300 -0.080 0.000 1.216 495 R CA -0.145 55.900 56.100 -0.092 0.000 1.250 495 R CB 0.849 31.079 30.300 -0.116 0.000 1.143 495 R HN 0.936 nan 8.270 nan 0.000 0.553 496 E N 1.904 122.054 120.200 -0.085 0.000 2.321 496 E HA 0.255 4.633 4.350 0.046 0.000 0.278 496 E C -1.280 175.252 176.600 -0.113 0.000 0.902 496 E CA -1.028 55.325 56.400 -0.079 0.000 0.758 496 E CB 1.663 31.323 29.700 -0.066 0.000 1.213 496 E HN 0.131 nan 8.360 nan 0.000 0.426 497 R N 1.738 122.177 120.500 -0.102 0.000 2.390 497 R HA 0.249 4.617 4.340 0.046 0.000 0.291 497 R C -0.582 175.608 176.300 -0.184 0.000 1.070 497 R CA -0.005 55.995 56.100 -0.166 0.000 1.014 497 R CB 1.293 31.557 30.300 -0.060 0.000 1.007 497 R HN 0.386 nan 8.270 nan 0.000 0.466 498 S N 4.867 120.353 115.700 -0.356 0.000 2.537 498 S HA 0.099 4.596 4.470 0.046 0.000 0.286 498 S C -1.552 173.031 174.600 -0.028 0.000 1.299 498 S CA -1.204 56.872 58.200 -0.207 0.000 1.067 498 S CB 0.668 63.690 63.200 -0.296 0.000 0.864 498 S HN 0.536 nan 8.310 nan 0.000 0.494 499 P HA -0.111 nan 4.420 nan 0.000 0.218 499 P C 1.600 178.958 177.300 0.098 0.000 1.148 499 P CA 1.242 64.370 63.100 0.046 0.000 0.822 499 P CB -0.103 31.612 31.700 0.026 0.000 0.784 500 S N -1.880 113.915 115.700 0.158 0.000 2.442 500 S HA -0.142 4.356 4.470 0.046 0.000 0.236 500 S C 1.528 176.302 174.600 0.290 0.000 1.007 500 S CA 0.957 59.285 58.200 0.213 0.000 0.965 500 S CB -1.448 61.912 63.200 0.267 0.000 0.773 500 S HN -0.028 nan 8.310 nan 0.000 0.504 501 F N 2.246 122.196 119.950 -0.001 0.000 2.789 501 F HA 0.373 4.928 4.527 0.046 0.000 0.300 501 F C 1.974 177.723 175.800 -0.085 0.000 1.132 501 F CA -0.636 57.361 58.000 -0.006 0.000 1.404 501 F CB -0.636 38.389 39.000 0.040 0.000 1.114 501 F HN 0.356 nan 8.300 nan 0.000 0.584 502 G N 0.608 109.419 108.800 0.019 0.000 3.581 502 G HA2 0.116 4.103 3.960 0.046 0.000 0.255 502 G HA3 0.116 4.103 3.960 0.046 0.000 0.255 502 G C -0.118 174.396 174.900 -0.643 0.000 1.121 502 G CA 0.097 45.021 45.100 -0.293 0.000 1.739 502 G HN 0.043 nan 8.290 nan 0.000 0.646 503 E N 0.297 120.051 120.200 -0.745 0.000 2.274 503 E HA 0.305 4.682 4.350 0.046 0.000 0.269 503 E C -0.898 175.329 176.600 -0.622 0.000 0.891 503 E CA -0.749 55.283 56.400 -0.613 0.000 0.784 503 E CB 1.490 31.059 29.700 -0.218 0.000 1.225 503 E HN 0.215 nan 8.360 nan 0.000 0.412 504 Y N 2.656 122.760 120.300 -0.326 0.000 2.426 504 Y HA 0.199 4.777 4.550 0.046 0.000 0.249 504 Y C 0.760 176.364 175.900 -0.494 0.000 1.103 504 Y CA -0.082 57.710 58.100 -0.512 0.000 1.256 504 Y CB 0.405 38.395 38.460 -0.784 0.000 1.208 504 Y HN 0.436 nan 8.280 nan 0.000 0.519 505 Y N -1.342 119.040 120.300 0.137 0.000 2.483 505 Y HA 0.083 4.661 4.550 0.046 0.000 0.258 505 Y C 2.404 178.363 175.900 0.100 0.000 1.083 505 Y CA 0.253 58.429 58.100 0.126 0.000 1.283 505 Y CB -0.261 38.278 38.460 0.131 0.000 1.178 505 Y HN 0.052 nan 8.280 nan 0.000 0.515 506 S N -0.866 114.961 115.700 0.212 0.000 2.387 506 S HA -0.167 4.331 4.470 0.046 0.000 0.226 506 S C 1.421 176.093 174.600 0.120 0.000 1.026 506 S CA 1.445 59.753 58.200 0.180 0.000 0.972 506 S CB -0.520 62.789 63.200 0.183 0.000 0.814 506 S HN 0.415 nan 8.310 nan 0.000 0.477 507 H N 2.814 121.796 119.070 -0.146 0.000 2.333 507 H HA 0.194 4.777 4.556 0.046 0.000 0.302 507 H C -0.665 174.471 175.328 -0.320 0.000 1.075 507 H CA 1.319 57.134 56.048 -0.388 0.000 1.348 507 H CB -1.701 27.579 29.762 -0.803 0.000 1.393 507 H HN 0.369 nan 8.280 nan 0.000 0.509 508 P HA -0.181 nan 4.420 nan 0.000 0.216 508 P C 1.495 178.989 177.300 0.324 0.000 1.153 508 P CA 1.689 64.945 63.100 0.260 0.000 0.858 508 P CB 0.081 31.954 31.700 0.287 0.000 0.789 509 R N -0.448 120.189 120.500 0.229 0.000 2.081 509 R HA -0.144 4.224 4.340 0.046 0.000 0.235 509 R C 2.179 178.612 176.300 0.221 0.000 1.131 509 R CA 1.252 57.490 56.100 0.231 0.000 0.960 509 R CB -1.067 29.330 30.300 0.161 0.000 0.856 509 R HN 0.067 nan 8.270 nan 0.000 0.436 510 L N 0.377 121.673 121.223 0.121 0.000 2.017 510 L HA -0.131 4.237 4.340 0.046 0.000 0.208 510 L C 2.019 178.951 176.870 0.103 0.000 1.073 510 L CA 1.741 56.615 54.840 0.057 0.000 0.745 510 L CB -0.719 41.296 42.059 -0.073 0.000 0.894 510 L HN 0.237 nan 8.230 nan 0.000 0.432 511 F N -0.676 119.311 119.950 0.062 0.000 2.095 511 F HA -0.292 4.262 4.527 0.046 0.000 0.298 511 F C 2.334 178.144 175.800 0.018 0.000 1.104 511 F CA 2.246 60.265 58.000 0.033 0.000 1.232 511 F CB -0.656 38.408 39.000 0.108 0.000 0.987 511 F HN 0.394 nan 8.300 nan 0.000 0.475 512 W N 1.402 122.697 121.300 -0.008 0.000 2.335 512 W HA -0.250 4.437 4.660 0.046 0.000 0.311 512 W C 1.737 178.142 176.519 -0.189 0.000 1.213 512 W CA 1.860 59.148 57.345 -0.094 0.000 1.274 512 W CB -0.716 28.777 29.460 0.054 0.000 1.148 512 W HN 0.097 nan 8.180 nan 0.000 0.498 513 L N 1.055 122.219 121.223 -0.099 0.000 2.376 513 L HA -0.146 4.222 4.340 0.046 0.000 0.219 513 L C 2.373 179.054 176.870 -0.315 0.000 1.133 513 L CA 1.025 55.728 54.840 -0.230 0.000 0.816 513 L CB -0.704 41.344 42.059 -0.019 0.000 0.933 513 L HN -0.149 nan 8.230 nan 0.000 0.449 514 S N -1.420 114.076 115.700 -0.340 0.000 2.527 514 S HA 0.035 4.533 4.470 0.046 0.000 0.222 514 S C 0.760 175.075 174.600 -0.475 0.000 0.985 514 S CA 0.155 58.147 58.200 -0.346 0.000 0.921 514 S CB 0.004 63.035 63.200 -0.282 0.000 0.772 514 S HN 0.297 nan 8.310 nan 0.000 0.529 515 Q N 2.255 121.670 119.800 -0.641 0.000 2.306 515 Q HA 0.263 4.631 4.340 0.046 0.000 0.241 515 Q C 0.667 176.277 176.000 -0.651 0.000 0.948 515 Q CA -0.069 55.319 55.803 -0.692 0.000 0.886 515 Q CB 0.432 28.695 28.738 -0.791 0.000 1.227 515 Q HN 0.438 nan 8.270 nan 0.000 0.457 516 T N -1.561 112.567 114.554 -0.711 0.000 2.748 516 T HA 0.137 4.515 4.350 0.046 0.000 0.304 516 T C -1.736 172.503 174.700 -0.769 0.000 1.041 516 T CA -1.218 60.417 62.100 -0.775 0.000 1.033 516 T CB 0.241 68.367 68.868 -1.238 0.000 0.995 516 T HN 0.242 nan 8.240 nan 0.000 0.536 517 P HA 0.026 nan 4.420 nan 0.000 0.218 517 P C 1.357 178.463 177.300 -0.324 0.000 1.149 517 P CA 0.843 63.723 63.100 -0.366 0.000 0.817 517 P CB -0.236 31.362 31.700 -0.169 0.000 0.785 518 F N -0.251 119.504 119.950 -0.324 0.000 2.259 518 F HA 0.048 4.602 4.527 0.046 0.000 0.298 518 F C 1.829 177.277 175.800 -0.587 0.000 1.088 518 F CA 0.852 58.594 58.000 -0.430 0.000 1.358 518 F CB -1.531 37.185 39.000 -0.473 0.000 1.040 518 F HN -0.116 nan 8.300 nan 0.000 0.505 519 E N 0.582 120.300 120.200 -0.804 0.000 2.072 519 E HA -0.204 4.174 4.350 0.046 0.000 0.191 519 E C 2.233 178.663 176.600 -0.285 0.000 0.985 519 E CA 1.362 57.475 56.400 -0.478 0.000 0.801 519 E CB -0.272 29.078 29.700 -0.584 0.000 0.750 519 E HN 0.614 nan 8.360 nan 0.000 0.452 520 Q N 0.288 119.824 119.800 -0.440 0.000 2.096 520 Q HA -0.226 4.141 4.340 0.046 0.000 0.204 520 Q C 2.267 178.303 176.000 0.060 0.000 0.982 520 Q CA 1.463 57.029 55.803 -0.395 0.000 0.850 520 Q CB -0.156 28.059 28.738 -0.871 0.000 0.901 520 Q HN 0.004 nan 8.270 nan 0.000 0.422 521 R N 0.363 120.874 120.500 0.018 0.000 2.081 521 R HA -0.146 4.221 4.340 0.046 0.000 0.235 521 R C 1.658 178.149 176.300 0.317 0.000 1.131 521 R CA 1.906 58.110 56.100 0.174 0.000 0.960 521 R CB -0.524 29.852 30.300 0.125 0.000 0.856 521 R HN 0.469 nan 8.270 nan 0.000 0.436 522 H N -0.661 118.506 119.070 0.161 0.000 2.421 522 H HA -0.046 4.538 4.556 0.046 0.000 0.298 522 H C 2.016 177.463 175.328 0.198 0.000 1.087 522 H CA 1.256 57.413 56.048 0.181 0.000 1.330 522 H CB -0.015 29.857 29.762 0.185 0.000 1.388 522 H HN 0.196 nan 8.280 nan 0.000 0.526 523 I N 0.157 120.951 120.570 0.374 0.000 2.142 523 I HA -0.260 3.937 4.170 0.046 0.000 0.240 523 I C 2.360 178.775 176.117 0.498 0.000 1.078 523 I CA 0.806 62.362 61.300 0.426 0.000 1.343 523 I CB -0.209 38.143 38.000 0.587 0.000 1.046 523 I HN 0.068 nan 8.210 nan 0.000 0.405 524 V N 0.978 121.181 119.914 0.481 0.000 2.282 524 V HA -0.342 3.805 4.120 0.046 0.000 0.249 524 V C 2.065 178.341 176.094 0.303 0.000 1.057 524 V CA 2.193 64.717 62.300 0.374 0.000 1.032 524 V CB -0.705 31.297 31.823 0.298 0.000 0.645 524 V HN 0.434 nan 8.190 nan 0.000 0.447 525 D N 0.287 120.845 120.400 0.264 0.000 2.178 525 D HA -0.086 4.582 4.640 0.046 0.000 0.202 525 D C 2.175 178.553 176.300 0.130 0.000 0.974 525 D CA 1.493 55.611 54.000 0.196 0.000 0.841 525 D CB -0.564 40.349 40.800 0.187 0.000 0.953 525 D HN 0.488 nan 8.370 nan 0.000 0.478 526 G N 0.222 109.077 108.800 0.092 0.000 2.433 526 G HA2 -0.256 3.731 3.960 0.046 0.000 0.216 526 G HA3 -0.256 3.731 3.960 0.046 0.000 0.216 526 G C 1.469 176.358 174.900 -0.019 0.000 1.186 526 G CA 0.248 45.303 45.100 -0.075 0.000 0.779 526 G HN 0.175 nan 8.290 nan 0.000 0.543 527 F N 1.722 121.706 119.950 0.056 0.000 2.134 527 F HA -0.072 4.483 4.527 0.046 0.000 0.299 527 F C 3.175 178.891 175.800 -0.141 0.000 1.097 527 F CA 1.587 59.550 58.000 -0.062 0.000 1.264 527 F CB -0.336 38.631 39.000 -0.055 0.000 1.001 527 F HN 0.083 nan 8.300 nan 0.000 0.479 528 S N -0.034 115.771 115.700 0.176 0.000 2.356 528 S HA -0.215 4.283 4.470 0.046 0.000 0.223 528 S C 1.879 176.505 174.600 0.043 0.000 1.032 528 S CA 1.313 59.560 58.200 0.078 0.000 1.005 528 S CB -0.824 62.443 63.200 0.110 0.000 0.867 528 S HN 0.386 nan 8.310 nan 0.000 0.449 529 F N 2.642 122.556 119.950 -0.060 0.000 2.069 529 F HA -0.161 4.393 4.527 0.045 0.000 0.298 529 F C 2.420 178.159 175.800 -0.101 0.000 1.113 529 F CA 1.675 59.627 58.000 -0.080 0.000 1.214 529 F CB -0.303 38.589 39.000 -0.180 0.000 0.978 529 F HN 0.143 nan 8.300 nan 0.000 0.474 530 E N 0.567 120.753 120.200 -0.023 0.000 2.038 530 E HA -0.235 4.142 4.350 0.046 0.000 0.195 530 E C 2.344 178.766 176.600 -0.297 0.000 1.000 530 E CA 1.834 58.189 56.400 -0.076 0.000 0.803 530 E CB -0.623 29.165 29.700 0.146 0.000 0.750 530 E HN 0.484 nan 8.360 nan 0.000 0.448 531 L N 1.001 121.958 121.223 -0.444 0.000 2.201 531 L HA -0.121 4.246 4.340 0.046 0.000 0.212 531 L C 2.464 179.180 176.870 -0.256 0.000 1.105 531 L CA 0.585 55.153 54.840 -0.454 0.000 0.775 531 L CB -0.247 41.555 42.059 -0.429 0.000 0.913 531 L HN -0.001 nan 8.230 nan 0.000 0.440 532 S N -0.349 115.213 115.700 -0.229 0.000 2.419 532 S HA -0.094 4.403 4.470 0.046 0.000 0.233 532 S C 1.693 176.180 174.600 -0.187 0.000 1.016 532 S CA 1.002 59.089 58.200 -0.188 0.000 0.974 532 S CB -0.066 63.016 63.200 -0.196 0.000 0.786 532 S HN 0.315 nan 8.310 nan 0.000 0.492 533 K N 1.155 121.418 120.400 -0.227 0.000 2.404 533 K HA 0.232 4.579 4.320 0.046 0.000 0.194 533 K C 0.025 176.621 176.600 -0.006 0.000 1.023 533 K CA 0.059 56.273 56.287 -0.122 0.000 1.094 533 K CB -0.130 32.289 32.500 -0.136 0.000 0.841 533 K HN 0.202 nan 8.250 nan 0.000 0.523 534 V N 2.182 122.076 119.914 -0.035 0.000 2.455 534 V HA -0.001 4.146 4.120 0.046 0.000 0.273 534 V C 1.738 177.821 176.094 -0.018 0.000 1.045 534 V CA -0.073 62.234 62.300 0.011 0.000 0.976 534 V CB 1.350 33.151 31.823 -0.037 0.000 0.993 534 V HN -0.123 nan 8.190 nan 0.000 0.475 535 V N 5.167 125.091 119.914 0.017 0.000 2.548 535 V HA -0.032 4.116 4.120 0.046 0.000 0.249 535 V C 1.282 177.363 176.094 -0.021 0.000 1.055 535 V CA 1.257 63.563 62.300 0.009 0.000 1.065 535 V CB -0.484 31.362 31.823 0.038 0.000 0.681 535 V HN 0.756 nan 8.190 nan 0.000 0.462 536 R N 0.676 121.134 120.500 -0.070 0.000 2.210 536 R HA 0.216 4.583 4.340 0.046 0.000 0.338 536 R C -1.816 174.367 176.300 -0.195 0.000 1.062 536 R CA -1.508 54.526 56.100 -0.110 0.000 0.902 536 R CB 0.782 30.956 30.300 -0.211 0.000 1.050 536 R HN 0.195 nan 8.270 nan 0.000 0.461 537 P HA -0.198 nan 4.420 nan 0.000 0.218 537 P C 0.707 177.979 177.300 -0.047 0.000 1.149 537 P CA 1.106 64.182 63.100 -0.040 0.000 0.817 537 P CB 0.041 31.755 31.700 0.023 0.000 0.785 538 Y N -1.494 118.807 120.300 0.002 0.000 2.333 538 Y HA -0.093 4.485 4.550 0.046 0.000 0.290 538 Y C 1.876 177.783 175.900 0.011 0.000 1.144 538 Y CA 0.794 58.896 58.100 0.003 0.000 1.228 538 Y CB -1.722 36.740 38.460 0.004 0.000 0.985 538 Y HN -0.094 nan 8.280 nan 0.000 0.542 539 I N 0.891 121.047 120.570 -0.690 0.000 2.315 539 I HA -0.223 3.975 4.170 0.046 0.000 0.248 539 I C 2.439 178.465 176.117 -0.152 0.000 1.117 539 I CA 1.271 62.325 61.300 -0.410 0.000 1.404 539 I CB -0.345 37.392 38.000 -0.438 0.000 1.071 539 I HN 0.207 nan 8.210 nan 0.000 0.419 540 R N 0.873 121.276 120.500 -0.161 0.000 2.081 540 R HA -0.164 4.204 4.340 0.046 0.000 0.235 540 R C 2.076 178.330 176.300 -0.077 0.000 1.131 540 R CA 1.363 57.386 56.100 -0.128 0.000 0.960 540 R CB -0.425 29.795 30.300 -0.133 0.000 0.856 540 R HN 0.451 nan 8.270 nan 0.000 0.436 541 E N 0.757 120.934 120.200 -0.039 0.000 2.058 541 E HA -0.180 4.198 4.350 0.046 0.000 0.194 541 E C 2.125 178.733 176.600 0.014 0.000 0.997 541 E CA 1.132 57.530 56.400 -0.004 0.000 0.801 541 E CB -0.087 29.634 29.700 0.035 0.000 0.746 541 E HN 0.298 nan 8.360 nan 0.000 0.450 542 R N 0.415 120.939 120.500 0.040 0.000 2.096 542 R HA -0.105 4.262 4.340 0.046 0.000 0.235 542 R C 2.393 178.721 176.300 0.047 0.000 1.127 542 R CA 1.097 57.233 56.100 0.059 0.000 0.968 542 R CB -0.255 30.100 30.300 0.091 0.000 0.861 542 R HN 0.076 nan 8.270 nan 0.000 0.440 543 V N 0.312 120.245 119.914 0.031 0.000 2.379 543 V HA -0.172 3.976 4.120 0.046 0.000 0.245 543 V C 2.341 178.418 176.094 -0.029 0.000 1.044 543 V CA 1.308 63.638 62.300 0.049 0.000 1.036 543 V CB -0.250 31.619 31.823 0.077 0.000 0.664 543 V HN 0.092 nan 8.190 nan 0.000 0.453 544 V N 0.722 120.591 119.914 -0.075 0.000 2.324 544 V HA -0.371 3.776 4.120 0.046 0.000 0.250 544 V C 2.338 178.392 176.094 -0.067 0.000 1.060 544 V CA 2.619 64.853 62.300 -0.110 0.000 1.042 544 V CB -0.764 31.000 31.823 -0.099 0.000 0.650 544 V HN 0.658 nan 8.190 nan 0.000 0.450 545 D N -0.862 119.532 120.400 -0.009 0.000 2.133 545 D HA -0.210 4.457 4.640 0.046 0.000 0.195 545 D C 2.269 178.652 176.300 0.138 0.000 0.997 545 D CA 1.273 55.302 54.000 0.047 0.000 0.840 545 D CB -0.037 40.809 40.800 0.076 0.000 0.947 545 D HN 0.347 nan 8.370 nan 0.000 0.452 546 Q N -0.198 119.665 119.800 0.105 0.000 2.084 546 Q HA -0.078 4.290 4.340 0.046 0.000 0.202 546 Q C 2.572 178.622 176.000 0.084 0.000 0.978 546 Q CA 0.721 56.611 55.803 0.146 0.000 0.844 546 Q CB -0.418 28.418 28.738 0.164 0.000 0.898 546 Q HN 0.460 nan 8.270 nan 0.000 0.426 547 L N 0.051 121.243 121.223 -0.052 0.000 2.131 547 L HA -0.114 4.254 4.340 0.046 0.000 0.210 547 L C 2.320 179.077 176.870 -0.188 0.000 1.092 547 L CA 0.951 55.679 54.840 -0.186 0.000 0.759 547 L CB -0.691 41.139 42.059 -0.382 0.000 0.903 547 L HN 0.093 nan 8.230 nan 0.000 0.435 548 A N -0.658 122.069 122.820 -0.155 0.000 2.067 548 A HA -0.206 4.142 4.320 0.046 0.000 0.219 548 A C 1.768 179.161 177.584 -0.318 0.000 1.158 548 A CA 1.266 53.170 52.037 -0.221 0.000 0.661 548 A CB -0.737 18.136 19.000 -0.211 0.000 0.801 548 A HN 0.446 nan 8.150 nan 0.000 0.452 549 H N -1.400 117.477 119.070 -0.322 0.000 2.555 549 H HA 0.251 4.835 4.556 0.046 0.000 0.269 549 H C 1.531 176.606 175.328 -0.422 0.000 0.988 549 H CA 1.065 56.788 56.048 -0.542 0.000 1.178 549 H CB 0.094 29.147 29.762 -1.181 0.000 1.373 549 H HN 0.506 nan 8.280 nan 0.000 0.588 550 I N -1.389 119.101 120.570 -0.133 0.000 3.132 550 I HA 0.091 4.289 4.170 0.046 0.000 0.255 550 I C -0.208 175.849 176.117 -0.101 0.000 1.118 550 I CA 0.338 61.628 61.300 -0.017 0.000 1.463 550 I CB 0.805 38.823 38.000 0.030 0.000 1.356 550 I HN 0.071 nan 8.210 nan 0.000 0.463 551 D N -0.239 120.025 120.400 -0.227 0.000 2.804 551 D HA 0.161 4.829 4.640 0.046 0.000 0.209 551 D C 0.347 176.478 176.300 -0.282 0.000 1.314 551 D CA -0.325 53.515 54.000 -0.267 0.000 0.894 551 D CB 1.391 41.909 40.800 -0.469 0.000 1.615 551 D HN -0.031 nan 8.370 nan 0.000 0.571 552 L N 2.895 124.012 121.223 -0.176 0.000 2.042 552 L HA -0.121 4.246 4.340 0.046 0.000 0.210 552 L C 1.375 178.163 176.870 -0.136 0.000 1.076 552 L CA 1.904 56.655 54.840 -0.149 0.000 0.749 552 L CB -0.459 41.542 42.059 -0.096 0.000 0.893 552 L HN 0.588 nan 8.230 nan 0.000 0.432 553 T N 0.683 115.184 114.554 -0.088 0.000 2.684 553 T HA -0.233 4.144 4.350 0.046 0.000 0.267 553 T C 1.784 176.421 174.700 -0.105 0.000 1.036 553 T CA 1.713 63.803 62.100 -0.016 0.000 1.148 553 T CB -0.412 68.540 68.868 0.141 0.000 0.863 553 T HN 0.312 nan 8.240 nan 0.000 0.436 554 L N 1.717 122.708 121.223 -0.387 0.000 1.989 554 L HA 0.015 4.382 4.340 0.046 0.000 0.211 554 L C 2.608 179.241 176.870 -0.395 0.000 1.071 554 L CA 2.194 56.634 54.840 -0.668 0.000 0.749 554 L CB -1.214 40.006 42.059 -1.398 0.000 0.890 554 L HN 0.211 nan 8.230 nan 0.000 0.431 555 A N -1.016 121.591 122.820 -0.355 0.000 1.883 555 A HA -0.275 4.072 4.320 0.046 0.000 0.217 555 A C 2.247 179.726 177.584 -0.175 0.000 1.186 555 A CA 2.009 53.886 52.037 -0.267 0.000 0.624 555 A CB -0.731 18.130 19.000 -0.230 0.000 0.822 555 A HN 0.703 nan 8.150 nan 0.000 0.444 556 Q N -0.900 118.821 119.800 -0.130 0.000 2.084 556 Q HA -0.084 4.284 4.340 0.046 0.000 0.202 556 Q C 2.427 178.395 176.000 -0.053 0.000 0.978 556 Q CA 1.313 57.070 55.803 -0.077 0.000 0.844 556 Q CB -0.357 28.351 28.738 -0.051 0.000 0.898 556 Q HN 0.698 nan 8.270 nan 0.000 0.426 557 A N 0.166 122.961 122.820 -0.043 0.000 1.902 557 A HA -0.133 4.215 4.320 0.046 0.000 0.217 557 A C 2.295 179.878 177.584 -0.003 0.000 1.181 557 A CA 1.247 53.286 52.037 0.005 0.000 0.623 557 A CB -0.630 18.403 19.000 0.056 0.000 0.818 557 A HN 0.211 nan 8.150 nan 0.000 0.443 558 V N 0.013 119.895 119.914 -0.054 0.000 2.295 558 V HA -0.276 3.871 4.120 0.046 0.000 0.246 558 V C 3.077 179.136 176.094 -0.058 0.000 1.049 558 V CA 1.983 64.246 62.300 -0.061 0.000 1.024 558 V CB -1.406 30.323 31.823 -0.157 0.000 0.648 558 V HN 0.617 nan 8.190 nan 0.000 0.447 559 A N -0.062 122.713 122.820 -0.076 0.000 1.892 559 A HA -0.344 4.004 4.320 0.046 0.000 0.218 559 A C 2.346 179.911 177.584 -0.032 0.000 1.188 559 A CA 2.566 54.567 52.037 -0.060 0.000 0.631 559 A CB -0.598 18.363 19.000 -0.064 0.000 0.822 559 A HN 0.561 nan 8.150 nan 0.000 0.447 560 K N -0.575 119.813 120.400 -0.019 0.000 2.063 560 K HA -0.186 4.162 4.320 0.046 0.000 0.208 560 K C 1.524 178.129 176.600 0.008 0.000 1.048 560 K CA 1.640 57.927 56.287 -0.001 0.000 0.928 560 K CB -0.193 32.313 32.500 0.010 0.000 0.713 560 K HN 0.448 nan 8.250 nan 0.000 0.442 561 N N 0.583 119.290 118.700 0.013 0.000 2.396 561 N HA -0.086 4.681 4.740 0.046 0.000 0.180 561 N C 1.242 176.757 175.510 0.007 0.000 1.028 561 N CA 0.845 53.910 53.050 0.025 0.000 0.893 561 N CB 0.102 38.617 38.487 0.048 0.000 0.967 561 N HN 0.270 nan 8.380 nan 0.000 0.440 562 L N -0.763 120.452 121.223 -0.014 0.000 2.607 562 L HA 0.253 4.621 4.340 0.046 0.000 0.228 562 L C 0.960 177.818 176.870 -0.020 0.000 1.123 562 L CA -0.080 54.743 54.840 -0.028 0.000 0.890 562 L CB -0.130 41.897 42.059 -0.054 0.000 1.103 562 L HN 0.071 nan 8.230 nan 0.000 0.468 563 G N 1.596 110.390 108.800 -0.011 0.000 2.249 563 G HA2 -0.292 3.695 3.960 0.046 0.000 0.273 563 G HA3 -0.292 3.695 3.960 0.046 0.000 0.273 563 G C 0.116 175.008 174.900 -0.012 0.000 1.036 563 G CA 0.180 45.275 45.100 -0.008 0.000 0.824 563 G HN 0.341 nan 8.290 nan 0.000 0.504 564 I N -0.156 120.402 120.570 -0.020 0.000 2.437 564 I HA 0.407 4.604 4.170 0.046 0.000 0.298 564 I C 0.363 176.466 176.117 -0.023 0.000 0.984 564 I CA -0.618 60.669 61.300 -0.023 0.000 1.214 564 I CB 1.552 39.532 38.000 -0.034 0.000 1.365 564 I HN 0.059 nan 8.210 nan 0.000 0.469 565 E N 5.772 125.960 120.200 -0.020 0.000 2.158 565 E HA 0.432 4.809 4.350 0.046 0.000 0.271 565 E C -1.028 175.555 176.600 -0.028 0.000 0.911 565 E CA -0.764 55.622 56.400 -0.022 0.000 0.767 565 E CB 2.032 31.722 29.700 -0.015 0.000 1.120 565 E HN 0.411 nan 8.360 nan 0.000 0.405 566 L N 2.854 124.055 121.223 -0.037 0.000 2.485 566 L HA 0.075 4.442 4.340 0.046 0.000 0.275 566 L C 1.202 178.050 176.870 -0.037 0.000 1.207 566 L CA -0.108 54.705 54.840 -0.045 0.000 0.855 566 L CB -0.096 41.927 42.059 -0.060 0.000 1.114 566 L HN 0.637 nan 8.230 nan 0.000 0.485 567 T N -2.096 112.436 114.554 -0.036 0.000 2.726 567 T HA 0.034 4.411 4.350 0.046 0.000 0.294 567 T C 0.717 175.396 174.700 -0.036 0.000 1.013 567 T CA -0.699 61.383 62.100 -0.030 0.000 0.996 567 T CB 0.844 69.698 68.868 -0.025 0.000 1.016 567 T HN 0.509 nan 8.240 nan 0.000 0.529 568 D N 0.127 120.509 120.400 -0.030 0.000 2.178 568 D HA -0.048 4.620 4.640 0.046 0.000 0.202 568 D C 1.736 178.010 176.300 -0.042 0.000 0.974 568 D CA 0.886 54.866 54.000 -0.033 0.000 0.841 568 D CB -0.307 40.479 40.800 -0.024 0.000 0.953 568 D HN 0.550 nan 8.370 nan 0.000 0.478 569 D N 0.540 120.916 120.400 -0.040 0.000 2.117 569 D HA -0.126 4.541 4.640 0.046 0.000 0.197 569 D C 2.033 178.285 176.300 -0.080 0.000 0.987 569 D CA 0.783 54.754 54.000 -0.049 0.000 0.829 569 D CB -0.219 40.561 40.800 -0.033 0.000 0.961 569 D HN 0.306 nan 8.370 nan 0.000 0.460 570 Q N -0.418 119.333 119.800 -0.082 0.000 2.170 570 Q HA -0.086 4.282 4.340 0.046 0.000 0.203 570 Q C 1.749 177.670 176.000 -0.132 0.000 0.976 570 Q CA 0.477 56.206 55.803 -0.124 0.000 0.858 570 Q CB 0.070 28.750 28.738 -0.098 0.000 0.907 570 Q HN 0.151 nan 8.270 nan 0.000 0.433 571 L N 0.307 121.474 121.223 -0.093 0.000 2.465 571 L HA -0.089 4.278 4.340 0.046 0.000 0.224 571 L C 0.442 177.261 176.870 -0.085 0.000 1.145 571 L CA 1.572 56.363 54.840 -0.083 0.000 0.834 571 L CB -0.339 41.685 42.059 -0.057 0.000 0.944 571 L HN 0.191 nan 8.230 nan 0.000 0.451 572 N N -1.611 117.034 118.700 -0.091 0.000 2.235 572 N HA 0.233 5.001 4.740 0.046 0.000 0.231 572 N C -0.019 175.430 175.510 -0.103 0.000 1.177 572 N CA -0.147 52.855 53.050 -0.080 0.000 0.874 572 N CB 0.707 39.160 38.487 -0.056 0.000 1.097 572 N HN 0.114 nan 8.380 nan 0.000 0.518 573 I N 1.530 122.004 120.570 -0.160 0.000 2.533 573 I HA -0.007 4.190 4.170 0.046 0.000 0.284 573 I C 0.381 176.404 176.117 -0.157 0.000 1.109 573 I CA 0.111 61.283 61.300 -0.215 0.000 1.412 573 I CB 0.570 38.306 38.000 -0.440 0.000 1.396 573 I HN 0.079 nan 8.210 nan 0.000 0.543 574 T N 8.106 122.598 114.554 -0.104 0.000 2.888 574 T HA 0.132 4.510 4.350 0.046 0.000 0.301 574 T C -2.026 172.636 174.700 -0.063 0.000 1.001 574 T CA -0.811 61.253 62.100 -0.061 0.000 1.147 574 T CB 0.018 68.871 68.868 -0.024 0.000 0.931 574 T HN 0.387 nan 8.240 nan 0.000 0.541 575 P HA 0.218 nan 4.420 nan 0.000 0.269 575 P C -2.312 175.001 177.300 0.022 0.000 1.215 575 P CA -1.439 61.647 63.100 -0.024 0.000 0.780 575 P CB -0.494 31.203 31.700 -0.004 0.000 0.898 576 P HA 0.204 nan 4.420 nan 0.000 0.270 576 P C -2.447 174.907 177.300 0.090 0.000 1.223 576 P CA -1.102 62.065 63.100 0.111 0.000 0.785 576 P CB -1.046 30.766 31.700 0.186 0.000 0.923 577 P HA 0.075 nan 4.420 nan 0.000 0.270 577 P C -0.438 176.911 177.300 0.081 0.000 1.223 577 P CA 0.021 63.168 63.100 0.078 0.000 0.785 577 P CB 0.052 31.801 31.700 0.081 0.000 0.923 578 D N -0.625 119.815 120.400 0.068 0.000 2.384 578 D HA 0.172 4.840 4.640 0.046 0.000 0.244 578 D C -0.543 175.804 176.300 0.077 0.000 1.251 578 D CA -0.357 53.680 54.000 0.061 0.000 0.961 578 D CB -0.059 40.770 40.800 0.048 0.000 1.116 578 D HN -0.039 nan 8.370 nan 0.000 0.484 579 V N 1.311 121.260 119.914 0.059 0.000 2.318 579 V HA 0.160 4.308 4.120 0.046 0.000 0.271 579 V C -0.134 176.047 176.094 0.144 0.000 1.030 579 V CA -0.809 61.553 62.300 0.103 0.000 0.844 579 V CB -0.437 31.354 31.823 -0.054 0.000 1.015 579 V HN 0.686 nan 8.190 nan 0.000 0.460 580 N N 4.606 123.412 118.700 0.177 0.000 2.707 580 N HA -0.234 4.533 4.740 0.046 0.000 0.253 580 N C 1.181 176.758 175.510 0.113 0.000 0.998 580 N CA 1.126 54.270 53.050 0.157 0.000 0.751 580 N CB -0.829 37.798 38.487 0.234 0.000 0.920 580 N HN 1.288 nan 8.380 nan 0.000 0.539 581 G N -2.082 106.768 108.800 0.084 0.000 2.225 581 G HA2 -0.325 3.663 3.960 0.046 0.000 0.254 581 G HA3 -0.325 3.663 3.960 0.046 0.000 0.254 581 G C 0.116 175.047 174.900 0.052 0.000 0.988 581 G CA 0.293 45.429 45.100 0.061 0.000 0.625 581 G HN 0.394 nan 8.290 nan 0.000 0.527 582 L N 0.280 121.537 121.223 0.056 0.000 2.305 582 L HA 0.461 4.829 4.340 0.046 0.000 0.281 582 L C 1.384 178.268 176.870 0.023 0.000 1.085 582 L CA -0.240 54.622 54.840 0.036 0.000 0.813 582 L CB 1.319 43.398 42.059 0.034 0.000 1.157 582 L HN 0.050 nan 8.230 nan 0.000 0.436 583 K N 3.039 123.448 120.400 0.014 0.000 2.358 583 K HA 0.157 4.505 4.320 0.046 0.000 0.200 583 K C -0.534 176.059 176.600 -0.011 0.000 1.030 583 K CA 0.042 56.334 56.287 0.009 0.000 1.097 583 K CB 0.465 32.971 32.500 0.010 0.000 0.862 583 K HN 0.572 nan 8.250 nan 0.000 0.534 584 K N -0.698 119.691 120.400 -0.018 0.000 2.960 584 K HA 0.145 4.493 4.320 0.046 0.000 0.296 584 K C -2.246 174.335 176.600 -0.031 0.000 1.092 584 K CA -0.917 55.344 56.287 -0.043 0.000 0.847 584 K CB 0.894 33.350 32.500 -0.073 0.000 1.458 584 K HN -0.227 nan 8.250 nan 0.000 0.359 585 D N 1.587 121.962 120.400 -0.042 0.000 2.386 585 D HA 0.338 5.006 4.640 0.046 0.000 0.247 585 D C -2.228 174.054 176.300 -0.030 0.000 1.336 585 D CA -1.962 52.031 54.000 -0.012 0.000 0.976 585 D CB 2.180 42.994 40.800 0.023 0.000 1.257 585 D HN 0.239 nan 8.370 nan 0.000 0.570 586 P HA -0.077 nan 4.420 nan 0.000 0.225 586 P C 1.243 178.532 177.300 -0.019 0.000 1.148 586 P CA 0.732 63.801 63.100 -0.052 0.000 0.779 586 P CB 0.233 31.912 31.700 -0.035 0.000 0.780 587 S N -1.175 114.547 115.700 0.036 0.000 2.537 587 S HA -0.062 4.436 4.470 0.046 0.000 0.240 587 S C 1.611 176.291 174.600 0.134 0.000 0.981 587 S CA 0.784 59.042 58.200 0.096 0.000 0.948 587 S CB -1.304 61.978 63.200 0.137 0.000 0.759 587 S HN 0.165 nan 8.310 nan 0.000 0.531 588 L N 1.115 122.376 121.223 0.062 0.000 2.509 588 L HA 0.216 4.584 4.340 0.046 0.000 0.222 588 L C 1.399 178.162 176.870 -0.178 0.000 1.123 588 L CA 0.102 54.971 54.840 0.049 0.000 0.856 588 L CB -0.193 41.873 42.059 0.012 0.000 0.985 588 L HN 0.333 nan 8.230 nan 0.000 0.456 589 S N -0.391 115.191 115.700 -0.197 0.000 2.554 589 S HA 0.304 4.801 4.470 0.046 0.000 0.278 589 S C 1.044 175.522 174.600 -0.204 0.000 1.242 589 S CA -0.635 57.391 58.200 -0.290 0.000 1.051 589 S CB 1.396 64.430 63.200 -0.278 0.000 0.986 589 S HN 0.168 nan 8.310 nan 0.000 0.502 590 L N 3.280 124.308 121.223 -0.324 0.000 2.217 590 L HA 0.018 4.386 4.340 0.046 0.000 0.211 590 L C 0.708 177.300 176.870 -0.462 0.000 1.107 590 L CA 1.129 55.675 54.840 -0.490 0.000 0.783 590 L CB -0.252 41.234 42.059 -0.954 0.000 0.919 590 L HN 0.778 nan 8.230 nan 0.000 0.442 591 Y N -2.674 117.616 120.300 -0.017 0.000 2.499 591 Y HA 0.343 4.921 4.550 0.046 0.000 0.253 591 Y C 2.069 177.993 175.900 0.041 0.000 1.105 591 Y CA -0.125 58.023 58.100 0.081 0.000 1.240 591 Y CB -0.416 38.152 38.460 0.179 0.000 1.289 591 Y HN -0.058 nan 8.280 nan 0.000 0.534 592 A N 0.816 123.664 122.820 0.046 0.000 1.917 592 A HA -0.123 4.224 4.320 0.046 0.000 0.219 592 A C 0.858 178.476 177.584 0.057 0.000 1.182 592 A CA 1.394 53.427 52.037 -0.008 0.000 0.633 592 A CB -0.791 18.154 19.000 -0.093 0.000 0.819 592 A HN 0.309 nan 8.150 nan 0.000 0.448 593 I N 0.611 121.224 120.570 0.071 0.000 2.359 593 I HA 0.269 4.467 4.170 0.046 0.000 0.284 593 I C -2.521 173.670 176.117 0.123 0.000 1.018 593 I CA -2.159 59.191 61.300 0.083 0.000 1.173 593 I CB 1.637 39.672 38.000 0.059 0.000 1.326 593 I HN -0.032 nan 8.210 nan 0.000 0.462 594 P HA -0.021 nan 4.420 nan 0.000 0.258 594 P C -0.427 176.951 177.300 0.130 0.000 1.172 594 P CA 0.295 63.492 63.100 0.161 0.000 0.762 594 P CB 0.304 32.081 31.700 0.130 0.000 0.764 595 D N 1.504 121.990 120.400 0.143 0.000 2.760 595 D HA 0.126 4.794 4.640 0.046 0.000 0.314 595 D C 0.589 176.951 176.300 0.103 0.000 1.464 595 D CA -0.521 53.544 54.000 0.107 0.000 0.797 595 D CB -0.429 40.429 40.800 0.096 0.000 1.149 595 D HN 0.297 nan 8.370 nan 0.000 0.455 596 G N 0.332 109.206 108.800 0.122 0.000 2.391 596 G HA2 0.297 4.284 3.960 0.046 0.000 0.234 596 G HA3 0.297 4.284 3.960 0.046 0.000 0.234 596 G C -0.553 174.387 174.900 0.067 0.000 1.284 596 G CA 0.093 45.257 45.100 0.108 0.000 0.873 596 G HN 0.236 nan 8.290 nan 0.000 0.549 597 D N 0.677 121.108 120.400 0.053 0.000 2.855 597 D HA 0.196 4.863 4.640 0.046 0.000 0.241 597 D C 0.878 177.191 176.300 0.022 0.000 1.277 597 D CA -0.505 53.512 54.000 0.028 0.000 0.918 597 D CB 1.750 42.559 40.800 0.016 0.000 1.462 597 D HN 0.343 nan 8.370 nan 0.000 0.559 598 V N 1.780 121.699 119.914 0.009 0.000 3.406 598 V HA 0.252 4.399 4.120 0.046 0.000 0.263 598 V C 1.019 177.094 176.094 -0.032 0.000 1.172 598 V CA 0.137 62.437 62.300 -0.001 0.000 1.140 598 V CB -0.739 31.079 31.823 -0.009 0.000 0.784 598 V HN 0.409 nan 8.190 nan 0.000 0.467 599 K N 1.367 121.742 120.400 -0.042 0.000 2.447 599 K HA 0.371 4.718 4.320 0.046 0.000 0.281 599 K C 1.295 177.850 176.600 -0.076 0.000 1.031 599 K CA 1.088 57.328 56.287 -0.079 0.000 1.019 599 K CB 0.040 32.500 32.500 -0.067 0.000 0.918 599 K HN 0.715 nan 8.250 nan 0.000 0.476 600 G N 3.140 111.856 108.800 -0.140 0.000 2.199 600 G HA2 -0.236 3.752 3.960 0.046 0.000 0.254 600 G HA3 -0.236 3.752 3.960 0.046 0.000 0.254 600 G C 0.089 175.020 174.900 0.051 0.000 0.982 600 G CA -0.104 44.977 45.100 -0.033 0.000 0.632 600 G HN 0.562 nan 8.290 nan 0.000 0.529 601 R N -0.219 120.285 120.500 0.008 0.000 2.801 601 R HA 0.630 4.997 4.340 0.046 0.000 0.273 601 R C 0.228 176.576 176.300 0.080 0.000 1.080 601 R CA -0.008 56.128 56.100 0.061 0.000 1.197 601 R CB 0.700 31.029 30.300 0.049 0.000 1.109 601 R HN 0.721 nan 8.270 nan 0.000 0.535 602 V N 0.437 120.419 119.914 0.114 0.000 2.841 602 V HA 0.470 4.618 4.120 0.046 0.000 0.310 602 V C -1.080 175.077 176.094 0.104 0.000 1.090 602 V CA -0.744 61.637 62.300 0.136 0.000 0.930 602 V CB 2.476 34.406 31.823 0.178 0.000 1.014 602 V HN 0.358 nan 8.190 nan 0.000 0.425 603 V N 5.613 125.583 119.914 0.093 0.000 2.555 603 V HA 0.814 4.962 4.120 0.046 0.000 0.302 603 V C 0.484 176.632 176.094 0.090 0.000 1.038 603 V CA -0.211 62.135 62.300 0.077 0.000 0.887 603 V CB 1.644 33.498 31.823 0.051 0.000 0.991 603 V HN 1.184 nan 8.190 nan 0.000 0.434 604 A N 5.844 128.725 122.820 0.101 0.000 2.328 604 A HA 0.781 5.128 4.320 0.046 0.000 0.284 604 A C -0.434 177.164 177.584 0.024 0.000 1.160 604 A CA -0.293 51.791 52.037 0.077 0.000 0.818 604 A CB 0.060 19.138 19.000 0.130 0.000 1.087 604 A HN 0.773 nan 8.150 nan 0.000 0.504 605 I N 3.253 123.830 120.570 0.011 0.000 2.355 605 I HA 0.179 4.376 4.170 0.046 0.000 0.288 605 I C -0.979 175.143 176.117 0.009 0.000 0.999 605 I CA -0.729 60.579 61.300 0.014 0.000 1.163 605 I CB 1.498 39.518 38.000 0.033 0.000 1.316 605 I HN 0.356 nan 8.210 nan 0.000 0.454 606 L N 7.656 128.878 121.223 -0.001 0.000 2.268 606 L HA 0.383 4.751 4.340 0.046 0.000 0.289 606 L C 0.103 177.067 176.870 0.157 0.000 1.064 606 L CA 0.130 55.012 54.840 0.071 0.000 0.824 606 L CB 0.345 42.325 42.059 -0.132 0.000 1.202 606 L HN 0.426 nan 8.230 nan 0.000 0.433 607 L N 3.528 124.892 121.223 0.235 0.000 2.456 607 L HA 0.419 4.787 4.340 0.046 0.000 0.257 607 L C 0.170 177.231 176.870 0.317 0.000 1.162 607 L CA -0.630 54.315 54.840 0.175 0.000 0.808 607 L CB 1.062 43.136 42.059 0.024 0.000 1.136 607 L HN 0.724 nan 8.230 nan 0.000 0.466 608 N N -2.009 116.789 118.700 0.162 0.000 2.629 608 N HA 0.211 4.979 4.740 0.046 0.000 0.279 608 N C -0.266 175.239 175.510 -0.010 0.000 1.344 608 N CA -0.777 52.407 53.050 0.223 0.000 0.789 608 N CB 0.723 39.329 38.487 0.197 0.000 1.508 608 N HN 0.522 nan 8.380 nan 0.000 0.516 609 D N -1.687 118.739 120.400 0.044 0.000 2.371 609 D HA -0.101 4.567 4.640 0.046 0.000 0.221 609 D C -0.257 176.012 176.300 -0.052 0.000 0.986 609 D CA 0.908 54.868 54.000 -0.067 0.000 0.899 609 D CB -0.008 40.823 40.800 0.052 0.000 0.902 609 D HN 0.786 nan 8.370 nan 0.000 0.530 610 E N 0.445 120.634 120.200 -0.018 0.000 3.626 610 E HA 0.260 4.638 4.350 0.046 0.000 0.245 610 E C -1.249 175.344 176.600 -0.012 0.000 1.236 610 E CA -0.452 55.937 56.400 -0.019 0.000 1.072 610 E CB 0.667 30.364 29.700 -0.005 0.000 1.309 610 E HN -0.122 nan 8.360 nan 0.000 0.400 611 V N 2.161 122.060 119.914 -0.025 0.000 2.740 611 V HA 0.079 4.227 4.120 0.046 0.000 0.303 611 V C 0.822 176.905 176.094 -0.019 0.000 1.054 611 V CA 0.160 62.452 62.300 -0.014 0.000 1.106 611 V CB 0.883 32.692 31.823 -0.023 0.000 0.957 611 V HN 0.521 nan 8.190 nan 0.000 0.486 612 R N 2.996 123.486 120.500 -0.018 0.000 2.357 612 R HA 0.066 4.434 4.340 0.046 0.000 0.330 612 R C 1.602 177.883 176.300 -0.031 0.000 1.102 612 R CA 0.504 56.588 56.100 -0.027 0.000 0.974 612 R CB 0.280 30.559 30.300 -0.035 0.000 1.002 612 R HN 0.999 nan 8.270 nan 0.000 0.463 613 S N 3.049 118.732 115.700 -0.029 0.000 2.400 613 S HA -0.255 4.242 4.470 0.046 0.000 0.232 613 S C 1.975 176.557 174.600 -0.030 0.000 1.025 613 S CA 1.017 59.201 58.200 -0.027 0.000 0.993 613 S CB -0.178 63.007 63.200 -0.024 0.000 0.808 613 S HN 0.678 nan 8.310 nan 0.000 0.478 614 A N 2.132 124.931 122.820 -0.036 0.000 1.972 614 A HA -0.100 4.247 4.320 0.046 0.000 0.219 614 A C 1.941 179.492 177.584 -0.055 0.000 1.169 614 A CA 1.599 53.612 52.037 -0.041 0.000 0.635 614 A CB -0.727 18.247 19.000 -0.043 0.000 0.810 614 A HN 0.464 nan 8.150 nan 0.000 0.446 615 D N -0.135 120.223 120.400 -0.070 0.000 2.084 615 D HA -0.116 4.552 4.640 0.046 0.000 0.196 615 D C 1.950 178.218 176.300 -0.054 0.000 0.985 615 D CA 0.844 54.784 54.000 -0.099 0.000 0.826 615 D CB -0.438 40.294 40.800 -0.113 0.000 0.978 615 D HN 0.338 nan 8.370 nan 0.000 0.456 616 L N 0.269 121.474 121.223 -0.030 0.000 2.042 616 L HA -0.189 4.178 4.340 0.046 0.000 0.210 616 L C 2.275 179.144 176.870 -0.003 0.000 1.076 616 L CA 0.790 55.625 54.840 -0.008 0.000 0.749 616 L CB -0.159 41.894 42.059 -0.009 0.000 0.893 616 L HN 0.090 nan 8.230 nan 0.000 0.432 617 L N -0.103 121.114 121.223 -0.011 0.000 2.042 617 L HA -0.187 4.181 4.340 0.046 0.000 0.210 617 L C 2.699 179.570 176.870 0.001 0.000 1.076 617 L CA 2.174 57.011 54.840 -0.006 0.000 0.749 617 L CB -1.042 41.010 42.059 -0.011 0.000 0.893 617 L HN 0.235 nan 8.230 nan 0.000 0.432 618 A N -1.070 121.746 122.820 -0.005 0.000 1.929 618 A HA -0.096 4.251 4.320 0.046 0.000 0.216 618 A C 2.273 179.879 177.584 0.036 0.000 1.176 618 A CA 1.316 53.357 52.037 0.006 0.000 0.628 618 A CB -0.566 18.426 19.000 -0.014 0.000 0.816 618 A HN 0.378 nan 8.150 nan 0.000 0.444 619 I N -0.024 120.572 120.570 0.044 0.000 2.076 619 I HA -0.305 3.893 4.170 0.046 0.000 0.237 619 I C 2.364 178.515 176.117 0.057 0.000 1.059 619 I CA 1.527 62.877 61.300 0.082 0.000 1.317 619 I CB -0.408 37.644 38.000 0.086 0.000 1.037 619 I HN 0.277 nan 8.210 nan 0.000 0.398 620 L N 0.458 121.705 121.223 0.039 0.000 2.131 620 L HA -0.229 4.139 4.340 0.046 0.000 0.210 620 L C 2.610 179.494 176.870 0.024 0.000 1.092 620 L CA 1.301 56.159 54.840 0.030 0.000 0.759 620 L CB -0.688 41.386 42.059 0.024 0.000 0.903 620 L HN 0.315 nan 8.230 nan 0.000 0.435 621 K N 0.803 121.216 120.400 0.022 0.000 2.057 621 K HA -0.164 4.183 4.320 0.046 0.000 0.206 621 K C 2.156 178.766 176.600 0.017 0.000 1.050 621 K CA 1.357 57.654 56.287 0.016 0.000 0.935 621 K CB -0.038 32.470 32.500 0.014 0.000 0.715 621 K HN 0.234 nan 8.250 nan 0.000 0.439 622 A N 1.547 124.382 122.820 0.026 0.000 1.898 622 A HA -0.054 4.293 4.320 0.046 0.000 0.216 622 A C 2.165 179.756 177.584 0.012 0.000 1.181 622 A CA 1.021 53.073 52.037 0.025 0.000 0.620 622 A CB -0.536 18.491 19.000 0.045 0.000 0.819 622 A HN 0.305 nan 8.150 nan 0.000 0.442 623 L N -0.467 120.765 121.223 0.014 0.000 2.017 623 L HA -0.223 4.144 4.340 0.046 0.000 0.208 623 L C 2.662 179.517 176.870 -0.025 0.000 1.073 623 L CA 1.978 56.815 54.840 -0.005 0.000 0.745 623 L CB -0.541 41.523 42.059 0.008 0.000 0.894 623 L HN 0.446 nan 8.230 nan 0.000 0.432 624 K N 0.508 120.902 120.400 -0.010 0.000 2.059 624 K HA -0.257 4.090 4.320 0.046 0.000 0.212 624 K C 2.050 178.636 176.600 -0.023 0.000 1.050 624 K CA 1.753 58.032 56.287 -0.014 0.000 0.927 624 K CB -0.138 32.364 32.500 0.004 0.000 0.714 624 K HN 0.312 nan 8.250 nan 0.000 0.447 625 A N 0.966 123.778 122.820 -0.014 0.000 2.019 625 A HA -0.118 4.230 4.320 0.046 0.000 0.219 625 A C 1.610 179.181 177.584 -0.023 0.000 1.164 625 A CA 1.353 53.383 52.037 -0.013 0.000 0.644 625 A CB -0.080 18.918 19.000 -0.003 0.000 0.805 625 A HN 0.236 nan 8.150 nan 0.000 0.449 626 K N -1.646 118.734 120.400 -0.034 0.000 2.373 626 K HA 0.231 4.578 4.320 0.046 0.000 0.202 626 K C 0.800 177.353 176.600 -0.077 0.000 1.025 626 K CA 0.542 56.803 56.287 -0.043 0.000 1.115 626 K CB 0.367 32.846 32.500 -0.034 0.000 0.858 626 K HN 0.640 nan 8.250 nan 0.000 0.525 627 G N 1.786 110.524 108.800 -0.102 0.000 2.176 627 G HA2 -0.223 3.764 3.960 0.046 0.000 0.252 627 G HA3 -0.223 3.764 3.960 0.046 0.000 0.252 627 G C 0.044 174.747 174.900 -0.328 0.000 1.024 627 G CA 0.085 45.078 45.100 -0.179 0.000 0.755 627 G HN 0.112 nan 8.290 nan 0.000 0.507 628 V N 0.918 120.684 119.914 -0.246 0.000 2.465 628 V HA 0.476 4.624 4.120 0.046 0.000 0.279 628 V C 0.836 176.772 176.094 -0.263 0.000 1.045 628 V CA -0.765 61.385 62.300 -0.249 0.000 0.938 628 V CB 1.007 32.772 31.823 -0.097 0.000 0.986 628 V HN 0.458 nan 8.190 nan 0.000 0.467 629 H N 1.921 121.001 119.070 0.016 0.000 2.546 629 H HA 0.739 5.322 4.556 0.046 0.000 0.365 629 H C 0.239 175.585 175.328 0.030 0.000 1.220 629 H CA 0.152 56.212 56.048 0.020 0.000 1.386 629 H CB 1.048 30.822 29.762 0.021 0.000 1.510 629 H HN 0.849 nan 8.280 nan 0.000 0.591 630 A N 1.108 124.031 122.820 0.171 0.000 2.435 630 A HA 0.531 4.879 4.320 0.046 0.000 0.304 630 A C -1.098 176.540 177.584 0.089 0.000 1.064 630 A CA -1.066 51.034 52.037 0.105 0.000 0.727 630 A CB 1.193 20.238 19.000 0.074 0.000 1.284 630 A HN 0.785 nan 8.150 nan 0.000 0.415 631 K N 2.283 122.729 120.400 0.075 0.000 2.376 631 K HA 0.679 5.027 4.320 0.046 0.000 0.257 631 K C -1.510 175.110 176.600 0.034 0.000 0.939 631 K CA -0.535 55.785 56.287 0.054 0.000 0.809 631 K CB 1.515 34.053 32.500 0.063 0.000 1.121 631 K HN 0.518 nan 8.250 nan 0.000 0.425 632 L N 4.083 125.316 121.223 0.018 0.000 2.278 632 L HA 0.310 4.678 4.340 0.046 0.000 0.287 632 L C -0.702 176.158 176.870 -0.016 0.000 1.072 632 L CA -1.023 53.819 54.840 0.004 0.000 0.819 632 L CB 0.279 42.335 42.059 -0.005 0.000 1.176 632 L HN 0.452 nan 8.230 nan 0.000 0.435 633 L N 4.235 125.444 121.223 -0.023 0.000 2.342 633 L HA 0.609 4.977 4.340 0.046 0.000 0.271 633 L C -0.475 176.287 176.870 -0.180 0.000 1.008 633 L CA -0.331 54.440 54.840 -0.116 0.000 0.818 633 L CB 1.656 43.653 42.059 -0.103 0.000 1.296 633 L HN 0.360 nan 8.230 nan 0.000 0.427 634 Y N -0.590 119.294 120.300 -0.694 0.000 2.974 634 Y HA 0.317 4.895 4.550 0.046 0.000 0.310 634 Y C 0.887 176.092 175.900 -1.158 0.000 1.551 634 Y CA -0.286 57.312 58.100 -0.837 0.000 1.084 634 Y CB 1.299 39.583 38.460 -0.293 0.000 1.446 634 Y HN 0.536 nan 8.280 nan 0.000 0.472 635 S N 0.530 115.476 115.700 -1.257 0.000 2.575 635 S HA 0.322 4.819 4.470 0.046 0.000 0.215 635 S C -0.130 174.236 174.600 -0.390 0.000 0.966 635 S CA 0.207 57.965 58.200 -0.737 0.000 0.911 635 S CB -0.115 62.719 63.200 -0.611 0.000 0.780 635 S HN 0.593 nan 8.310 nan 0.000 0.514 636 R N -1.325 119.021 120.500 -0.256 0.000 2.733 636 R HA 0.590 4.957 4.340 0.046 0.000 0.272 636 R C -0.955 175.353 176.300 0.013 0.000 1.029 636 R CA -1.109 54.953 56.100 -0.063 0.000 0.888 636 R CB 0.365 30.668 30.300 0.004 0.000 1.251 636 R HN -0.077 nan 8.270 nan 0.000 0.464 637 M N 0.175 119.779 119.600 0.007 0.000 2.012 637 M HA 0.530 5.037 4.480 0.046 0.000 0.248 637 M C 1.066 177.382 176.300 0.027 0.000 1.238 637 M CA 1.041 56.346 55.300 0.010 0.000 0.980 637 M CB 0.469 33.067 32.600 -0.004 0.000 1.346 637 M HN 1.032 nan 8.290 nan 0.000 0.511 638 G N 0.817 109.621 108.800 0.007 0.000 2.594 638 G HA2 -0.112 3.876 3.960 0.046 0.000 0.217 638 G HA3 -0.112 3.876 3.960 0.046 0.000 0.217 638 G C -1.041 173.846 174.900 -0.022 0.000 1.163 638 G CA -0.412 44.687 45.100 -0.002 0.000 1.074 638 G HN 0.651 nan 8.290 nan 0.000 0.589 639 E N -0.929 119.247 120.200 -0.040 0.000 2.408 639 E HA 0.631 5.009 4.350 0.046 0.000 0.275 639 E C -0.349 176.174 176.600 -0.128 0.000 0.935 639 E CA -0.660 55.695 56.400 -0.074 0.000 0.775 639 E CB 2.845 32.513 29.700 -0.054 0.000 1.277 639 E HN 1.262 nan 8.360 nan 0.000 0.455 640 V N -2.032 117.771 119.914 -0.185 0.000 3.158 640 V HA 0.760 4.907 4.120 0.046 0.000 0.315 640 V C -0.420 175.591 176.094 -0.137 0.000 1.148 640 V CA -0.681 61.486 62.300 -0.222 0.000 1.042 640 V CB 1.928 33.501 31.823 -0.417 0.000 1.101 640 V HN 0.659 nan 8.190 nan 0.000 0.448 641 T N 1.750 116.236 114.554 -0.113 0.000 2.812 641 T HA 0.768 5.145 4.350 0.046 0.000 0.282 641 T C 0.201 174.862 174.700 -0.065 0.000 0.990 641 T CA 0.255 62.312 62.100 -0.072 0.000 0.960 641 T CB 1.320 70.157 68.868 -0.051 0.000 0.948 641 T HN 1.334 nan 8.240 nan 0.000 0.438 642 A N 2.322 125.110 122.820 -0.053 0.000 2.409 642 A HA 0.268 4.616 4.320 0.046 0.000 0.246 642 A C 1.581 179.146 177.584 -0.032 0.000 1.099 642 A CA -0.174 51.838 52.037 -0.042 0.000 0.789 642 A CB 0.031 19.010 19.000 -0.035 0.000 1.053 642 A HN 0.935 nan 8.150 nan 0.000 0.503 643 D N 0.170 120.554 120.400 -0.027 0.000 2.228 643 D HA -0.205 4.462 4.640 0.046 0.000 0.203 643 D C 0.578 176.866 176.300 -0.020 0.000 0.988 643 D CA 1.652 55.639 54.000 -0.021 0.000 0.864 643 D CB -0.240 40.548 40.800 -0.020 0.000 0.928 643 D HN 0.627 nan 8.370 nan 0.000 0.469 644 D N -1.449 118.938 120.400 -0.021 0.000 2.463 644 D HA 0.228 4.896 4.640 0.046 0.000 0.224 644 D C 1.554 177.842 176.300 -0.019 0.000 1.174 644 D CA 0.192 54.181 54.000 -0.019 0.000 0.829 644 D CB -0.033 40.756 40.800 -0.018 0.000 0.993 644 D HN 0.321 nan 8.370 nan 0.000 0.497 645 G N 0.283 109.070 108.800 -0.021 0.000 2.234 645 G HA2 -0.304 3.683 3.960 0.046 0.000 0.260 645 G HA3 -0.304 3.683 3.960 0.046 0.000 0.260 645 G C 0.566 175.452 174.900 -0.023 0.000 0.987 645 G CA 0.424 45.511 45.100 -0.021 0.000 0.625 645 G HN 0.472 nan 8.290 nan 0.000 0.532 646 T N 1.229 115.769 114.554 -0.024 0.000 2.908 646 T HA 0.377 4.754 4.350 0.046 0.000 0.301 646 T C 0.524 175.204 174.700 -0.033 0.000 1.019 646 T CA 0.301 62.386 62.100 -0.025 0.000 1.152 646 T CB 2.134 70.987 68.868 -0.024 0.000 0.966 646 T HN 0.504 nan 8.240 nan 0.000 0.540 647 V N 5.148 125.044 119.914 -0.031 0.000 2.383 647 V HA 0.264 4.411 4.120 0.046 0.000 0.275 647 V C -0.294 175.776 176.094 -0.040 0.000 1.036 647 V CA -0.765 61.512 62.300 -0.038 0.000 0.889 647 V CB 1.083 32.888 31.823 -0.030 0.000 0.985 647 V HN 0.553 nan 8.190 nan 0.000 0.459 648 L N 9.089 130.278 121.223 -0.057 0.000 2.276 648 L HA 0.515 4.883 4.340 0.046 0.000 0.286 648 L C -2.161 174.673 176.870 -0.062 0.000 1.024 648 L CA -2.433 52.372 54.840 -0.057 0.000 0.826 648 L CB 1.413 43.427 42.059 -0.074 0.000 1.211 648 L HN 0.416 nan 8.230 nan 0.000 0.422 649 P HA 0.229 nan 4.420 nan 0.000 0.276 649 P C -0.308 176.970 177.300 -0.036 0.000 1.235 649 P CA -0.156 62.923 63.100 -0.035 0.000 0.772 649 P CB 0.876 32.564 31.700 -0.020 0.000 0.871 650 I N 2.456 123.004 120.570 -0.036 0.000 2.342 650 I HA 0.183 4.380 4.170 0.046 0.000 0.291 650 I C 1.641 177.746 176.117 -0.020 0.000 1.010 650 I CA -0.385 60.897 61.300 -0.031 0.000 1.308 650 I CB 1.330 39.318 38.000 -0.021 0.000 1.400 650 I HN 0.364 nan 8.210 nan 0.000 0.488 651 A N 5.367 128.177 122.820 -0.017 0.000 1.897 651 A HA 0.488 4.835 4.320 0.046 0.000 0.215 651 A C 1.006 178.583 177.584 -0.011 0.000 1.181 651 A CA 1.374 53.407 52.037 -0.007 0.000 0.620 651 A CB -0.018 18.985 19.000 0.005 0.000 0.821 651 A HN 0.836 nan 8.150 nan 0.000 0.443 652 A N -2.278 120.524 122.820 -0.030 0.000 2.566 652 A HA 0.565 4.913 4.320 0.046 0.000 0.290 652 A C -0.117 177.403 177.584 -0.107 0.000 1.071 652 A CA 0.076 52.091 52.037 -0.037 0.000 0.658 652 A CB -0.228 18.776 19.000 0.007 0.000 1.285 652 A HN 0.794 nan 8.150 nan 0.000 0.427 653 T N -1.522 112.964 114.554 -0.114 0.000 2.902 653 T HA 0.564 4.942 4.350 0.046 0.000 0.280 653 T C 0.960 175.570 174.700 -0.150 0.000 0.992 653 T CA -0.046 61.907 62.100 -0.244 0.000 1.015 653 T CB 0.138 68.917 68.868 -0.149 0.000 1.044 653 T HN 0.510 nan 8.240 nan 0.000 0.520 654 F N 0.671 120.631 119.950 0.016 0.000 2.115 654 F HA -0.120 4.434 4.527 0.046 0.000 0.300 654 F C 2.849 178.774 175.800 0.207 0.000 1.092 654 F CA 1.330 59.385 58.000 0.092 0.000 1.245 654 F CB -0.597 38.440 39.000 0.062 0.000 0.995 654 F HN 0.722 nan 8.300 nan 0.000 0.481 655 A N 0.027 123.000 122.820 0.254 0.000 1.984 655 A HA 0.159 4.506 4.320 0.046 0.000 0.214 655 A C 2.423 180.077 177.584 0.118 0.000 1.173 655 A CA 1.055 53.197 52.037 0.174 0.000 0.673 655 A CB -1.311 17.754 19.000 0.108 0.000 0.830 655 A HN 0.364 nan 8.150 nan 0.000 0.453 656 G N -0.275 108.576 108.800 0.086 0.000 2.418 656 G HA2 0.212 4.199 3.960 0.046 0.000 0.217 656 G HA3 0.212 4.199 3.960 0.046 0.000 0.217 656 G C 0.731 175.682 174.900 0.084 0.000 1.158 656 G CA 1.072 46.208 45.100 0.058 0.000 0.771 656 G HN 1.096 nan 8.290 nan 0.000 0.545 657 A N 0.703 123.606 122.820 0.139 0.000 2.842 657 A HA 0.709 5.056 4.320 0.046 0.000 0.339 657 A C -2.674 175.089 177.584 0.299 0.000 1.177 657 A CA -1.188 50.952 52.037 0.170 0.000 0.797 657 A CB 1.249 20.337 19.000 0.146 0.000 1.094 657 A HN 0.116 nan 8.150 nan 0.000 0.474 658 P HA 0.015 nan 4.420 nan 0.000 0.269 658 P C 1.383 178.542 177.300 -0.236 0.000 1.217 658 P CA 0.426 63.511 63.100 -0.024 0.000 0.783 658 P CB 0.791 32.451 31.700 -0.067 0.000 0.898 659 S N 1.508 116.678 115.700 -0.884 0.000 2.419 659 S HA -0.170 4.327 4.470 0.046 0.000 0.235 659 S C 1.807 176.258 174.600 -0.248 0.000 1.019 659 S CA 1.144 58.931 58.200 -0.688 0.000 0.982 659 S CB -1.368 61.303 63.200 -0.882 0.000 0.789 659 S HN 0.336 nan 8.310 nan 0.000 0.490 660 L N 1.836 122.919 121.223 -0.234 0.000 2.089 660 L HA -0.140 4.227 4.340 0.046 0.000 0.213 660 L C 2.953 179.653 176.870 -0.284 0.000 1.079 660 L CA 1.826 56.526 54.840 -0.233 0.000 0.758 660 L CB -1.567 40.334 42.059 -0.264 0.000 0.891 660 L HN 0.671 nan 8.230 nan 0.000 0.433 661 T N -3.219 111.236 114.554 -0.166 0.000 3.129 661 T HA 0.233 4.611 4.350 0.046 0.000 0.251 661 T C 0.333 175.123 174.700 0.150 0.000 1.117 661 T CA 0.158 62.237 62.100 -0.035 0.000 1.034 661 T CB -0.407 68.540 68.868 0.132 0.000 0.968 661 T HN 0.177 nan 8.240 nan 0.000 0.526 662 V N -2.933 117.031 119.914 0.083 0.000 3.155 662 V HA 0.590 4.737 4.120 0.046 0.000 0.313 662 V C -0.195 175.945 176.094 0.077 0.000 1.162 662 V CA -0.973 61.403 62.300 0.127 0.000 1.048 662 V CB 2.061 33.974 31.823 0.151 0.000 1.092 662 V HN -0.014 nan 8.190 nan 0.000 0.447 663 D N 0.656 121.103 120.400 0.078 0.000 2.392 663 D HA 0.521 5.189 4.640 0.046 0.000 0.206 663 D C 0.524 176.809 176.300 -0.025 0.000 1.046 663 D CA 1.423 55.442 54.000 0.031 0.000 0.865 663 D CB 1.559 42.399 40.800 0.065 0.000 0.969 663 D HN 0.979 nan 8.370 nan 0.000 0.509 664 A N 0.117 122.939 122.820 0.004 0.000 2.601 664 A HA 0.555 4.903 4.320 0.046 0.000 0.291 664 A C -1.551 176.051 177.584 0.029 0.000 1.075 664 A CA -0.550 51.476 52.037 -0.019 0.000 0.671 664 A CB 1.510 20.484 19.000 -0.044 0.000 1.277 664 A HN -0.112 nan 8.150 nan 0.000 0.417 665 V N 1.014 120.938 119.914 0.018 0.000 2.588 665 V HA 0.593 4.741 4.120 0.046 0.000 0.304 665 V C -0.675 175.426 176.094 0.011 0.000 1.042 665 V CA -0.231 62.095 62.300 0.044 0.000 0.877 665 V CB 1.516 33.386 31.823 0.078 0.000 0.996 665 V HN 0.697 nan 8.190 nan 0.000 0.425 666 I N 4.009 124.594 120.570 0.025 0.000 2.465 666 I HA 0.551 4.749 4.170 0.046 0.000 0.291 666 I C -0.885 175.263 176.117 0.052 0.000 1.014 666 I CA -0.976 60.363 61.300 0.065 0.000 1.093 666 I CB 2.341 40.409 38.000 0.113 0.000 1.267 666 I HN 0.280 nan 8.210 nan 0.000 0.431 667 V N 7.344 127.307 119.914 0.082 0.000 2.326 667 V HA 0.348 4.496 4.120 0.046 0.000 0.281 667 V C -2.129 174.032 176.094 0.111 0.000 1.015 667 V CA -1.555 60.785 62.300 0.067 0.000 0.823 667 V CB 1.193 33.038 31.823 0.037 0.000 1.009 667 V HN 0.562 nan 8.190 nan 0.000 0.436 668 P HA 0.405 nan 4.420 nan 0.000 0.276 668 P C -0.083 177.244 177.300 0.045 0.000 1.252 668 P CA -0.208 62.916 63.100 0.041 0.000 0.802 668 P CB 1.187 32.898 31.700 0.019 0.000 1.035 669 A N 0.470 123.292 122.820 0.002 0.000 2.364 669 A HA 0.578 4.926 4.320 0.046 0.000 0.258 669 A C 0.901 178.495 177.584 0.016 0.000 1.131 669 A CA 0.921 52.962 52.037 0.007 0.000 0.800 669 A CB -1.159 17.823 19.000 -0.029 0.000 1.086 669 A HN 0.895 nan 8.150 nan 0.000 0.508 670 G N -0.772 108.035 108.800 0.012 0.000 2.225 670 G HA2 -0.124 3.863 3.960 0.046 0.000 0.203 670 G HA3 -0.124 3.863 3.960 0.046 0.000 0.203 670 G C -0.088 174.823 174.900 0.018 0.000 1.335 670 G CA -0.023 45.083 45.100 0.011 0.000 1.183 670 G HN 1.057 nan 8.290 nan 0.000 0.488 671 N N 1.652 120.369 118.700 0.028 0.000 2.892 671 N HA 0.100 4.868 4.740 0.046 0.000 0.300 671 N C 1.453 176.994 175.510 0.052 0.000 1.211 671 N CA -0.459 52.611 53.050 0.033 0.000 1.158 671 N CB -0.252 38.258 38.487 0.038 0.000 1.455 671 N HN 0.377 nan 8.380 nan 0.000 0.524 672 I N 1.283 121.870 120.570 0.028 0.000 2.756 672 I HA -0.181 4.017 4.170 0.046 0.000 0.262 672 I C 2.301 178.412 176.117 -0.010 0.000 1.225 672 I CA 0.557 61.871 61.300 0.024 0.000 1.472 672 I CB -1.325 36.647 38.000 -0.045 0.000 1.094 672 I HN 0.414 nan 8.210 nan 0.000 0.454 673 A N 0.861 123.674 122.820 -0.011 0.000 1.969 673 A HA -0.255 4.093 4.320 0.046 0.000 0.218 673 A C 2.093 179.692 177.584 0.024 0.000 1.169 673 A CA 1.855 53.881 52.037 -0.018 0.000 0.635 673 A CB -0.608 18.384 19.000 -0.012 0.000 0.810 673 A HN 0.402 nan 8.150 nan 0.000 0.445 674 D N 0.609 121.049 120.400 0.067 0.000 2.133 674 D HA -0.187 4.480 4.640 0.046 0.000 0.195 674 D C 1.546 177.923 176.300 0.128 0.000 0.997 674 D CA 2.000 56.068 54.000 0.114 0.000 0.840 674 D CB -0.229 40.675 40.800 0.174 0.000 0.947 674 D HN 0.641 nan 8.370 nan 0.000 0.452 675 I N -3.972 116.692 120.570 0.156 0.000 4.139 675 I HA 0.475 4.672 4.170 0.046 0.000 0.335 675 I C 1.923 178.157 176.117 0.195 0.000 1.327 675 I CA 0.025 61.437 61.300 0.187 0.000 1.112 675 I CB 0.045 38.201 38.000 0.260 0.000 1.058 675 I HN -0.067 nan 8.210 nan 0.000 0.396 676 A N 1.542 124.400 122.820 0.064 0.000 2.024 676 A HA -0.160 4.188 4.320 0.046 0.000 0.220 676 A C 1.388 178.968 177.584 -0.007 0.000 1.164 676 A CA 1.985 53.955 52.037 -0.113 0.000 0.643 676 A CB -0.450 18.393 19.000 -0.261 0.000 0.806 676 A HN 0.540 nan 8.150 nan 0.000 0.451 677 D N -0.937 119.478 120.400 0.025 0.000 2.501 677 D HA 0.050 4.717 4.640 0.046 0.000 0.224 677 D C -0.192 176.132 176.300 0.041 0.000 1.202 677 D CA -0.245 53.770 54.000 0.024 0.000 0.829 677 D CB -0.208 40.595 40.800 0.005 0.000 1.023 677 D HN 0.288 nan 8.370 nan 0.000 0.499 678 N N 1.224 119.961 118.700 0.061 0.000 2.405 678 N HA 0.042 4.809 4.740 0.046 0.000 0.260 678 N C 1.407 176.941 175.510 0.040 0.000 1.152 678 N CA 0.055 53.135 53.050 0.049 0.000 0.948 678 N CB 1.398 39.916 38.487 0.052 0.000 1.111 678 N HN 0.037 nan 8.380 nan 0.000 0.485 679 G N 3.371 112.197 108.800 0.042 0.000 2.440 679 G HA2 -0.272 3.715 3.960 0.046 0.000 0.218 679 G HA3 -0.272 3.715 3.960 0.046 0.000 0.218 679 G C 0.985 175.926 174.900 0.068 0.000 1.154 679 G CA 0.587 45.716 45.100 0.048 0.000 0.767 679 G HN 0.580 nan 8.290 nan 0.000 0.552 680 D N 0.909 121.350 120.400 0.070 0.000 2.117 680 D HA -0.020 4.647 4.640 0.046 0.000 0.197 680 D C 2.810 179.080 176.300 -0.050 0.000 0.987 680 D CA 1.273 55.344 54.000 0.119 0.000 0.829 680 D CB -0.481 40.461 40.800 0.236 0.000 0.961 680 D HN 0.316 nan 8.370 nan 0.000 0.460 681 A N 0.962 123.576 122.820 -0.344 0.000 1.898 681 A HA -0.172 4.176 4.320 0.046 0.000 0.216 681 A C 2.029 179.383 177.584 -0.384 0.000 1.181 681 A CA 1.214 52.811 52.037 -0.734 0.000 0.620 681 A CB -0.459 18.051 19.000 -0.817 0.000 0.819 681 A HN 0.141 nan 8.150 nan 0.000 0.442 682 N N -1.480 117.149 118.700 -0.118 0.000 2.120 682 N HA -0.181 4.587 4.740 0.046 0.000 0.188 682 N C 1.686 177.179 175.510 -0.028 0.000 1.024 682 N CA 1.736 54.775 53.050 -0.017 0.000 0.852 682 N CB -0.449 38.108 38.487 0.116 0.000 1.003 682 N HN 0.684 nan 8.380 nan 0.000 0.424 683 Y N 0.522 120.780 120.300 -0.069 0.000 2.274 683 Y HA -0.277 4.300 4.550 0.046 0.000 0.290 683 Y C 2.380 178.229 175.900 -0.085 0.000 1.145 683 Y CA 1.249 59.309 58.100 -0.066 0.000 1.203 683 Y CB -0.313 38.117 38.460 -0.049 0.000 0.984 683 Y HN 0.038 nan 8.280 nan 0.000 0.533 684 Y N -0.144 120.000 120.300 -0.259 0.000 2.114 684 Y HA -0.326 4.252 4.550 0.046 0.000 0.282 684 Y C 2.102 177.791 175.900 -0.352 0.000 1.165 684 Y CA 1.757 59.679 58.100 -0.297 0.000 1.148 684 Y CB -0.376 37.921 38.460 -0.272 0.000 0.972 684 Y HN 0.101 nan 8.280 nan 0.000 0.504 685 L N -0.639 120.493 121.223 -0.151 0.000 2.109 685 L HA -0.223 4.144 4.340 0.046 0.000 0.207 685 L C 2.289 179.038 176.870 -0.201 0.000 1.086 685 L CA 1.655 56.395 54.840 -0.167 0.000 0.760 685 L CB -1.380 40.545 42.059 -0.222 0.000 0.910 685 L HN 0.413 nan 8.230 nan 0.000 0.437 686 M N -0.677 118.754 119.600 -0.282 0.000 2.117 686 M HA -0.231 4.276 4.480 0.046 0.000 0.262 686 M C 2.176 178.229 176.300 -0.411 0.000 1.065 686 M CA 1.629 56.758 55.300 -0.285 0.000 1.114 686 M CB -0.351 32.099 32.600 -0.249 0.000 1.361 686 M HN 0.244 nan 8.290 nan 0.000 0.408 687 E N 0.516 120.275 120.200 -0.736 0.000 2.028 687 E HA -0.179 4.199 4.350 0.046 0.000 0.191 687 E C 2.020 178.250 176.600 -0.617 0.000 0.988 687 E CA 1.295 57.218 56.400 -0.796 0.000 0.799 687 E CB -0.005 29.164 29.700 -0.885 0.000 0.755 687 E HN 0.458 nan 8.360 nan 0.000 0.447 688 A N 0.282 122.850 122.820 -0.421 0.000 1.940 688 A HA -0.219 4.129 4.320 0.046 0.000 0.219 688 A C 2.044 179.515 177.584 -0.190 0.000 1.176 688 A CA 1.558 53.444 52.037 -0.252 0.000 0.631 688 A CB -0.910 18.000 19.000 -0.151 0.000 0.814 688 A HN 0.569 nan 8.150 nan 0.000 0.446 689 Y N 0.445 120.578 120.300 -0.279 0.000 2.163 689 Y HA -0.187 4.390 4.550 0.046 0.000 0.288 689 Y C 2.381 178.152 175.900 -0.215 0.000 1.136 689 Y CA 2.269 60.240 58.100 -0.214 0.000 1.147 689 Y CB -0.265 38.089 38.460 -0.178 0.000 0.987 689 Y HN 0.308 nan 8.280 nan 0.000 0.509 690 K N -0.555 119.721 120.400 -0.207 0.000 2.074 690 K HA -0.243 4.104 4.320 0.046 0.000 0.209 690 K C 1.090 177.557 176.600 -0.222 0.000 1.048 690 K CA 2.132 58.263 56.287 -0.260 0.000 0.926 690 K CB -0.443 31.854 32.500 -0.339 0.000 0.713 690 K HN 0.587 nan 8.250 nan 0.000 0.444 691 H N 0.242 119.193 119.070 -0.198 0.000 2.555 691 H HA 0.171 4.754 4.556 0.046 0.000 0.283 691 H C -0.006 175.164 175.328 -0.264 0.000 1.037 691 H CA 0.180 56.109 56.048 -0.197 0.000 1.169 691 H CB 0.036 29.680 29.762 -0.197 0.000 1.375 691 H HN 0.134 nan 8.280 nan 0.000 0.582 692 L N -0.387 120.684 121.223 -0.253 0.000 4.291 692 L HA -0.285 4.083 4.340 0.046 0.000 0.413 692 L C -0.269 176.341 176.870 -0.434 0.000 1.162 692 L CA 0.599 55.202 54.840 -0.395 0.000 0.961 692 L CB -1.809 39.990 42.059 -0.432 0.000 2.095 692 L HN 0.280 nan 8.230 nan 0.000 0.838 693 K N 0.756 120.967 120.400 -0.314 0.000 2.144 693 K HA 0.467 4.814 4.320 0.046 0.000 0.270 693 K C -2.121 174.340 176.600 -0.231 0.000 1.005 693 K CA -1.747 54.373 56.287 -0.278 0.000 0.932 693 K CB 0.634 33.026 32.500 -0.180 0.000 1.021 693 K HN -0.210 nan 8.250 nan 0.000 0.462 694 P HA 0.040 nan 4.420 nan 0.000 0.265 694 P C -0.805 176.427 177.300 -0.113 0.000 1.193 694 P CA 0.372 63.370 63.100 -0.172 0.000 0.765 694 P CB 0.430 32.028 31.700 -0.170 0.000 0.823 695 I N 1.831 122.350 120.570 -0.085 0.000 2.545 695 I HA 0.638 4.835 4.170 0.046 0.000 0.292 695 I C -0.267 175.802 176.117 -0.080 0.000 1.040 695 I CA -0.832 60.437 61.300 -0.052 0.000 1.068 695 I CB 2.205 40.203 38.000 -0.003 0.000 1.251 695 I HN 0.255 nan 8.210 nan 0.000 0.424 696 A N 7.453 130.232 122.820 -0.069 0.000 2.343 696 A HA 0.887 5.235 4.320 0.046 0.000 0.308 696 A C -1.130 176.537 177.584 0.140 0.000 1.092 696 A CA -0.435 51.538 52.037 -0.106 0.000 0.751 696 A CB 0.957 19.741 19.000 -0.360 0.000 1.203 696 A HN 0.651 nan 8.150 nan 0.000 0.452 697 L N 2.034 123.398 121.223 0.235 0.000 2.356 697 L HA 0.775 5.142 4.340 0.046 0.000 0.277 697 L C 0.198 177.277 176.870 0.349 0.000 0.996 697 L CA -0.591 54.411 54.840 0.270 0.000 0.822 697 L CB 2.053 44.221 42.059 0.180 0.000 1.256 697 L HN 0.768 nan 8.230 nan 0.000 0.413 698 A N 2.132 125.068 122.820 0.193 0.000 2.342 698 A HA 0.885 5.232 4.320 0.046 0.000 0.323 698 A C 0.532 178.106 177.584 -0.018 0.000 1.125 698 A CA 0.212 52.231 52.037 -0.031 0.000 0.785 698 A CB 1.286 20.049 19.000 -0.395 0.000 1.221 698 A HN 1.012 nan 8.150 nan 0.000 0.463 699 G N 1.731 110.513 108.800 -0.030 0.000 2.583 699 G HA2 -0.313 3.675 3.960 0.046 0.000 0.292 699 G HA3 -0.313 3.675 3.960 0.046 0.000 0.292 699 G C 0.568 175.469 174.900 0.001 0.000 1.203 699 G CA 0.717 45.804 45.100 -0.022 0.000 0.987 699 G HN 0.690 nan 8.290 nan 0.000 0.554 700 D N 1.264 121.660 120.400 -0.006 0.000 2.264 700 D HA 0.126 4.794 4.640 0.046 0.000 0.208 700 D C 2.692 178.988 176.300 -0.007 0.000 0.966 700 D CA 1.544 55.534 54.000 -0.018 0.000 0.864 700 D CB -0.619 40.164 40.800 -0.029 0.000 0.933 700 D HN 0.779 nan 8.370 nan 0.000 0.499 701 A N 0.956 123.812 122.820 0.060 0.000 2.076 701 A HA -0.210 4.138 4.320 0.046 0.000 0.220 701 A C 2.056 179.742 177.584 0.169 0.000 1.160 701 A CA 0.899 53.043 52.037 0.178 0.000 0.653 701 A CB -0.503 18.635 19.000 0.230 0.000 0.801 701 A HN 0.163 nan 8.150 nan 0.000 0.455 702 R N -0.259 120.293 120.500 0.086 0.000 2.261 702 R HA -0.140 4.228 4.340 0.046 0.000 0.236 702 R C 1.823 178.123 176.300 0.001 0.000 1.141 702 R CA 1.331 57.467 56.100 0.059 0.000 1.001 702 R CB -0.233 30.091 30.300 0.039 0.000 0.866 702 R HN 0.531 nan 8.270 nan 0.000 0.468 703 K N -0.202 120.149 120.400 -0.082 0.000 2.152 703 K HA -0.148 4.199 4.320 0.046 0.000 0.206 703 K C 1.428 177.898 176.600 -0.216 0.000 1.048 703 K CA 1.265 57.438 56.287 -0.190 0.000 0.933 703 K CB -0.114 32.203 32.500 -0.305 0.000 0.721 703 K HN 0.204 nan 8.250 nan 0.000 0.447 704 F N 1.311 121.238 119.950 -0.039 0.000 2.641 704 F HA -0.085 4.469 4.527 0.046 0.000 0.298 704 F C 2.002 177.754 175.800 -0.080 0.000 1.146 704 F CA 0.738 58.702 58.000 -0.059 0.000 1.464 704 F CB 0.003 38.968 39.000 -0.059 0.000 1.101 704 F HN -0.063 nan 8.300 nan 0.000 0.585 705 K N 0.247 120.687 120.400 0.067 0.000 2.152 705 K HA -0.178 4.170 4.320 0.046 0.000 0.206 705 K C 2.319 178.891 176.600 -0.045 0.000 1.048 705 K CA 1.035 57.318 56.287 -0.007 0.000 0.933 705 K CB -0.278 32.215 32.500 -0.011 0.000 0.721 705 K HN 0.265 nan 8.250 nan 0.000 0.447 706 A N 0.317 123.115 122.820 -0.036 0.000 1.898 706 A HA -0.169 4.178 4.320 0.046 0.000 0.216 706 A C 2.216 179.774 177.584 -0.043 0.000 1.181 706 A CA 2.059 54.068 52.037 -0.046 0.000 0.620 706 A CB -0.892 18.078 19.000 -0.051 0.000 0.819 706 A HN 0.284 nan 8.150 nan 0.000 0.442 707 T N 0.224 114.773 114.554 -0.009 0.000 2.833 707 T HA -0.062 4.316 4.350 0.046 0.000 0.269 707 T C 1.337 175.984 174.700 -0.088 0.000 1.054 707 T CA 1.503 63.599 62.100 -0.006 0.000 1.135 707 T CB -0.559 68.356 68.868 0.079 0.000 0.869 707 T HN 0.603 nan 8.240 nan 0.000 0.466 708 I N -2.413 118.052 120.570 -0.175 0.000 3.914 708 I HA 0.466 4.664 4.170 0.046 0.000 0.333 708 I C 0.167 176.045 176.117 -0.398 0.000 1.449 708 I CA -0.486 60.577 61.300 -0.396 0.000 1.135 708 I CB -0.125 37.452 38.000 -0.705 0.000 1.073 708 I HN -0.046 nan 8.210 nan 0.000 0.401 709 K N 1.771 122.051 120.400 -0.201 0.000 3.096 709 K HA -0.096 4.252 4.320 0.046 0.000 0.266 709 K C -0.456 176.070 176.600 -0.123 0.000 1.043 709 K CA 0.395 56.604 56.287 -0.131 0.000 0.758 709 K CB -1.126 31.318 32.500 -0.093 0.000 1.260 709 K HN 0.389 nan 8.250 nan 0.000 0.481 710 I N 0.829 121.323 120.570 -0.126 0.000 2.365 710 I HA 0.309 4.506 4.170 0.046 0.000 0.291 710 I C 1.340 177.434 176.117 -0.039 0.000 1.004 710 I CA -0.622 60.630 61.300 -0.080 0.000 1.311 710 I CB 0.712 38.663 38.000 -0.081 0.000 1.401 710 I HN 0.264 nan 8.210 nan 0.000 0.491 711 A N 5.026 127.835 122.820 -0.017 0.000 2.366 711 A HA 0.166 4.514 4.320 0.046 0.000 0.249 711 A C 0.996 178.576 177.584 -0.007 0.000 1.084 711 A CA -0.275 51.756 52.037 -0.009 0.000 0.794 711 A CB 0.185 19.184 19.000 -0.001 0.000 1.034 711 A HN 0.750 nan 8.150 nan 0.000 0.491 712 D N 0.177 120.574 120.400 -0.006 0.000 2.144 712 D HA -0.167 4.501 4.640 0.046 0.000 0.199 712 D C 1.990 178.291 176.300 0.002 0.000 0.984 712 D CA 1.802 55.800 54.000 -0.003 0.000 0.834 712 D CB -0.098 40.700 40.800 -0.005 0.000 0.955 712 D HN 0.796 nan 8.370 nan 0.000 0.465 713 Q N 0.750 120.552 119.800 0.003 0.000 2.515 713 Q HA 0.115 4.483 4.340 0.046 0.000 0.212 713 Q C 0.878 176.883 176.000 0.008 0.000 0.970 713 Q CA 0.925 56.731 55.803 0.006 0.000 0.941 713 Q CB -0.001 28.740 28.738 0.006 0.000 0.998 713 Q HN 0.106 nan 8.270 nan 0.000 0.518 714 G N 1.528 110.332 108.800 0.008 0.000 2.760 714 G HA2 -0.239 3.748 3.960 0.046 0.000 0.246 714 G HA3 -0.239 3.748 3.960 0.046 0.000 0.246 714 G C -1.078 173.829 174.900 0.012 0.000 1.359 714 G CA -0.188 44.918 45.100 0.010 0.000 0.861 714 G HN 0.657 nan 8.290 nan 0.000 0.541 715 E N -0.999 119.209 120.200 0.014 0.000 2.392 715 E HA 0.565 4.942 4.350 0.046 0.000 0.279 715 E C -0.838 175.764 176.600 0.003 0.000 0.964 715 E CA -1.118 55.292 56.400 0.017 0.000 0.777 715 E CB 1.444 31.168 29.700 0.040 0.000 1.249 715 E HN 0.396 nan 8.360 nan 0.000 0.449 716 E N 0.829 121.023 120.200 -0.011 0.000 2.558 716 E HA 0.177 4.555 4.350 0.046 0.000 0.255 716 E C 0.935 177.502 176.600 -0.056 0.000 0.968 716 E CA 1.726 58.104 56.400 -0.036 0.000 0.939 716 E CB 0.781 30.458 29.700 -0.039 0.000 0.921 716 E HN 0.939 nan 8.360 nan 0.000 0.477 717 G N 2.869 111.621 108.800 -0.079 0.000 2.195 717 G HA2 -0.200 3.788 3.960 0.046 0.000 0.224 717 G HA3 -0.200 3.788 3.960 0.046 0.000 0.224 717 G C 0.138 174.992 174.900 -0.076 0.000 0.990 717 G CA -0.289 44.744 45.100 -0.112 0.000 0.639 717 G HN 0.407 nan 8.290 nan 0.000 0.514 718 I N 2.091 122.638 120.570 -0.038 0.000 2.382 718 I HA 0.464 4.662 4.170 0.046 0.000 0.285 718 I C 0.357 176.440 176.117 -0.057 0.000 1.007 718 I CA -1.018 60.268 61.300 -0.023 0.000 1.142 718 I CB 1.381 39.397 38.000 0.026 0.000 1.289 718 I HN -0.104 nan 8.210 nan 0.000 0.453 719 V N 7.328 127.171 119.914 -0.119 0.000 2.465 719 V HA 0.405 4.553 4.120 0.046 0.000 0.279 719 V C 0.221 176.269 176.094 -0.076 0.000 1.045 719 V CA -0.422 61.765 62.300 -0.187 0.000 0.938 719 V CB 1.313 32.859 31.823 -0.461 0.000 0.986 719 V HN 0.865 nan 8.190 nan 0.000 0.467 720 E N 4.129 124.363 120.200 0.056 0.000 2.366 720 E HA 0.882 5.260 4.350 0.046 0.000 0.278 720 E C -1.020 175.730 176.600 0.250 0.000 0.923 720 E CA -0.984 55.536 56.400 0.202 0.000 0.761 720 E CB 2.586 32.351 29.700 0.108 0.000 1.231 720 E HN 0.832 nan 8.360 nan 0.000 0.443 721 A N 1.773 124.750 122.820 0.262 0.000 2.566 721 A HA 0.328 4.676 4.320 0.046 0.000 0.290 721 A C -0.541 177.062 177.584 0.031 0.000 1.071 721 A CA -0.597 51.529 52.037 0.147 0.000 0.658 721 A CB 1.089 20.216 19.000 0.212 0.000 1.285 721 A HN 0.621 nan 8.150 nan 0.000 0.427 722 D N 0.531 120.927 120.400 -0.007 0.000 2.178 722 D HA 0.018 4.685 4.640 0.046 0.000 0.201 722 D C 1.060 177.302 176.300 -0.097 0.000 0.980 722 D CA 2.267 56.244 54.000 -0.038 0.000 0.842 722 D CB 0.050 40.833 40.800 -0.029 0.000 0.948 722 D HN 0.785 nan 8.370 nan 0.000 0.472 723 S N -1.598 114.007 115.700 -0.159 0.000 2.618 723 S HA 0.644 5.142 4.470 0.046 0.000 0.277 723 S C -0.041 174.256 174.600 -0.505 0.000 1.138 723 S CA -0.574 57.476 58.200 -0.251 0.000 0.844 723 S CB 2.189 65.295 63.200 -0.157 0.000 1.127 723 S HN -0.032 nan 8.310 nan 0.000 0.474 724 A N 0.555 123.014 122.820 -0.601 0.000 2.346 724 A HA 0.437 4.785 4.320 0.046 0.000 0.242 724 A C 0.243 177.618 177.584 -0.347 0.000 1.323 724 A CA 0.244 51.731 52.037 -0.916 0.000 0.940 724 A CB -1.089 17.518 19.000 -0.655 0.000 0.943 724 A HN 0.789 nan 8.150 nan 0.000 0.501 725 D N -2.604 117.684 120.400 -0.186 0.000 4.137 725 D HA 0.471 5.139 4.640 0.046 0.000 0.235 725 D C 1.479 177.804 176.300 0.041 0.000 1.592 725 D CA 1.036 55.029 54.000 -0.012 0.000 1.092 725 D CB -0.344 40.472 40.800 0.026 0.000 1.405 725 D HN 0.460 nan 8.370 nan 0.000 0.611 726 G N 0.368 109.188 108.800 0.033 0.000 2.665 726 G HA2 -0.323 3.665 3.960 0.046 0.000 0.326 726 G HA3 -0.323 3.665 3.960 0.046 0.000 0.326 726 G C 0.795 175.742 174.900 0.079 0.000 1.231 726 G CA 2.050 47.177 45.100 0.046 0.000 0.992 726 G HN 1.028 nan 8.290 nan 0.000 0.549 727 S N 0.043 115.800 115.700 0.096 0.000 2.582 727 S HA 0.469 4.967 4.470 0.046 0.000 0.234 727 S C 1.542 176.221 174.600 0.132 0.000 0.961 727 S CA 0.844 59.098 58.200 0.089 0.000 0.953 727 S CB 0.166 63.399 63.200 0.054 0.000 0.800 727 S HN 0.894 nan 8.310 nan 0.000 0.471 728 F N 2.596 122.545 119.950 -0.003 0.000 2.084 728 F HA 0.040 4.594 4.527 0.046 0.000 0.296 728 F C 2.144 177.941 175.800 -0.005 0.000 1.111 728 F CA 1.440 59.438 58.000 -0.003 0.000 1.224 728 F CB -0.199 38.800 39.000 -0.001 0.000 0.991 728 F HN 0.144 nan 8.300 nan 0.000 0.471 729 M N 0.328 120.090 119.600 0.271 0.000 2.229 729 M HA -0.162 4.346 4.480 0.046 0.000 0.264 729 M C 1.712 178.017 176.300 0.008 0.000 1.063 729 M CA 1.251 56.617 55.300 0.110 0.000 1.114 729 M CB -1.327 31.368 32.600 0.160 0.000 1.387 729 M HN 0.167 nan 8.290 nan 0.000 0.420 730 D N 0.586 121.000 120.400 0.024 0.000 2.117 730 D HA -0.153 4.515 4.640 0.046 0.000 0.197 730 D C 1.938 178.214 176.300 -0.040 0.000 0.987 730 D CA 1.172 55.170 54.000 -0.003 0.000 0.829 730 D CB -0.187 40.618 40.800 0.010 0.000 0.961 730 D HN 0.483 nan 8.370 nan 0.000 0.460 731 E N 0.432 120.594 120.200 -0.064 0.000 2.058 731 E HA -0.133 4.244 4.350 0.046 0.000 0.194 731 E C 2.147 178.661 176.600 -0.144 0.000 0.997 731 E CA 0.262 56.601 56.400 -0.102 0.000 0.801 731 E CB -0.051 29.575 29.700 -0.124 0.000 0.746 731 E HN 0.153 nan 8.360 nan 0.000 0.450 732 L N 0.879 121.978 121.223 -0.207 0.000 2.017 732 L HA -0.174 4.193 4.340 0.046 0.000 0.208 732 L C 2.130 178.926 176.870 -0.123 0.000 1.073 732 L CA 1.374 56.090 54.840 -0.208 0.000 0.745 732 L CB -0.406 41.487 42.059 -0.276 0.000 0.894 732 L HN 0.231 nan 8.230 nan 0.000 0.432 733 L N 0.012 121.184 121.223 -0.086 0.000 2.083 733 L HA -0.179 4.188 4.340 0.046 0.000 0.209 733 L C 2.659 179.501 176.870 -0.047 0.000 1.083 733 L CA 1.759 56.567 54.840 -0.053 0.000 0.752 733 L CB -1.781 40.260 42.059 -0.031 0.000 0.899 733 L HN 0.268 nan 8.230 nan 0.000 0.433 734 T N -0.142 114.382 114.554 -0.051 0.000 2.746 734 T HA -0.172 4.206 4.350 0.046 0.000 0.267 734 T C 2.091 176.757 174.700 -0.057 0.000 1.039 734 T CA 1.172 63.247 62.100 -0.042 0.000 1.142 734 T CB -0.181 68.663 68.868 -0.040 0.000 0.866 734 T HN 0.210 nan 8.240 nan 0.000 0.444 735 L N 0.170 121.339 121.223 -0.089 0.000 2.056 735 L HA -0.045 4.322 4.340 0.046 0.000 0.207 735 L C 2.678 179.476 176.870 -0.120 0.000 1.078 735 L CA 1.245 56.012 54.840 -0.122 0.000 0.749 735 L CB -0.531 41.436 42.059 -0.153 0.000 0.901 735 L HN 0.297 nan 8.230 nan 0.000 0.433 736 M N -0.617 118.928 119.600 -0.092 0.000 2.213 736 M HA -0.170 4.337 4.480 0.046 0.000 0.263 736 M C 2.459 178.754 176.300 -0.009 0.000 1.062 736 M CA 1.674 56.938 55.300 -0.060 0.000 1.105 736 M CB -0.513 32.064 32.600 -0.038 0.000 1.385 736 M HN 0.313 nan 8.290 nan 0.000 0.417 737 A N 0.315 123.131 122.820 -0.005 0.000 2.019 737 A HA 0.024 4.372 4.320 0.046 0.000 0.219 737 A C 2.145 179.767 177.584 0.065 0.000 1.164 737 A CA 1.742 53.798 52.037 0.032 0.000 0.644 737 A CB -0.638 18.375 19.000 0.023 0.000 0.805 737 A HN 0.507 nan 8.150 nan 0.000 0.449 738 A N -2.809 120.025 122.820 0.023 0.000 2.307 738 A HA 0.380 4.727 4.320 0.046 0.000 0.218 738 A C 0.885 178.479 177.584 0.017 0.000 1.228 738 A CA 1.191 53.253 52.037 0.043 0.000 0.857 738 A CB -0.433 18.554 19.000 -0.021 0.000 0.897 738 A HN 0.955 nan 8.150 nan 0.000 0.495 739 H N -1.311 117.698 119.070 -0.102 0.000 4.823 739 H HA -0.174 4.409 4.556 0.046 0.000 0.064 739 H C 0.016 175.125 175.328 -0.365 0.000 0.599 739 H CA 2.335 58.308 56.048 -0.125 0.000 0.956 739 H CB -0.597 29.209 29.762 0.073 0.000 0.432 739 H HN 0.457 nan 8.280 nan 0.000 0.798 740 R N -0.390 119.505 120.500 -1.007 0.000 2.799 740 R HA 0.625 4.992 4.340 0.046 0.000 0.270 740 R C -0.773 174.659 176.300 -1.446 0.000 1.010 740 R CA -0.283 55.002 56.100 -1.358 0.000 0.916 740 R CB 1.709 30.881 30.300 -1.880 0.000 1.228 740 R HN 0.067 nan 8.270 nan 0.000 0.469 741 V N 2.264 121.558 119.914 -1.035 0.000 2.221 741 V HA 0.130 4.277 4.120 0.046 0.000 0.258 741 V C 0.546 176.264 176.094 -0.625 0.000 1.179 741 V CA -0.399 61.482 62.300 -0.698 0.000 1.022 741 V CB -0.083 31.473 31.823 -0.446 0.000 1.228 741 V HN 0.709 nan 8.190 nan 0.000 0.487 742 W N 1.569 122.589 121.300 -0.466 0.000 2.425 742 W HA -0.134 4.554 4.660 0.046 0.000 0.277 742 W C 2.494 178.801 176.519 -0.353 0.000 1.231 742 W CA 0.758 57.734 57.345 -0.615 0.000 1.248 742 W CB -0.277 28.415 29.460 -1.279 0.000 1.117 742 W HN 0.653 nan 8.180 nan 0.000 0.568 743 S N 0.751 116.400 115.700 -0.085 0.000 2.507 743 S HA -0.156 4.341 4.470 0.046 0.000 0.235 743 S C 1.706 176.268 174.600 -0.064 0.000 0.988 743 S CA 0.890 59.064 58.200 -0.042 0.000 0.944 743 S CB -0.398 62.777 63.200 -0.042 0.000 0.762 743 S HN 0.425 nan 8.310 nan 0.000 0.526 744 R N 0.658 121.077 120.500 -0.134 0.000 2.275 744 R HA 0.266 4.634 4.340 0.046 0.000 0.199 744 R C 1.805 178.036 176.300 -0.115 0.000 0.989 744 R CA 0.369 56.367 56.100 -0.170 0.000 1.016 744 R CB -0.336 29.749 30.300 -0.358 0.000 0.918 744 R HN 0.469 nan 8.270 nan 0.000 0.473 745 I N 2.092 122.634 120.570 -0.048 0.000 2.151 745 I HA -0.223 3.974 4.170 0.046 0.000 0.243 745 I C -0.742 175.396 176.117 0.035 0.000 1.080 745 I CA 1.282 62.594 61.300 0.021 0.000 1.339 745 I CB -0.866 37.191 38.000 0.096 0.000 1.039 745 I HN 0.183 nan 8.210 nan 0.000 0.409 746 P HA -0.154 nan 4.420 nan 0.000 0.220 746 P C 1.243 178.571 177.300 0.047 0.000 1.148 746 P CA 1.481 64.609 63.100 0.047 0.000 0.803 746 P CB -0.069 31.657 31.700 0.043 0.000 0.782 747 K N -0.143 120.280 120.400 0.039 0.000 2.288 747 K HA -0.005 4.342 4.320 0.046 0.000 0.201 747 K C 2.110 178.772 176.600 0.102 0.000 1.048 747 K CA 0.750 57.084 56.287 0.079 0.000 0.956 747 K CB -0.597 31.980 32.500 0.128 0.000 0.746 747 K HN 0.283 nan 8.250 nan 0.000 0.461 748 I N -1.426 119.173 120.570 0.049 0.000 2.546 748 I HA -0.139 4.059 4.170 0.046 0.000 0.255 748 I C 0.981 177.143 176.117 0.074 0.000 1.163 748 I CA 1.301 62.635 61.300 0.056 0.000 1.457 748 I CB -0.121 37.863 38.000 -0.026 0.000 1.092 748 I HN -0.103 nan 8.210 nan 0.000 0.434 749 D N 1.935 122.377 120.400 0.071 0.000 2.182 749 D HA -0.160 4.508 4.640 0.046 0.000 0.201 749 D C 2.002 178.342 176.300 0.066 0.000 0.986 749 D CA 1.243 55.285 54.000 0.071 0.000 0.847 749 D CB -0.118 40.725 40.800 0.072 0.000 0.942 749 D HN 0.332 nan 8.370 nan 0.000 0.467 750 K N 0.255 120.695 120.400 0.067 0.000 2.283 750 K HA 0.074 4.422 4.320 0.046 0.000 0.202 750 K C 0.958 177.591 176.600 0.055 0.000 1.048 750 K CA 0.007 56.329 56.287 0.057 0.000 0.948 750 K CB 0.146 32.678 32.500 0.053 0.000 0.742 750 K HN 0.232 nan 8.250 nan 0.000 0.458 751 I N 2.667 123.278 120.570 0.070 0.000 2.371 751 I HA 0.170 4.368 4.170 0.046 0.000 0.290 751 I C -2.297 173.854 176.117 0.055 0.000 1.028 751 I CA -2.323 59.012 61.300 0.059 0.000 1.345 751 I CB 1.093 39.140 38.000 0.079 0.000 1.407 751 I HN -0.020 nan 8.210 nan 0.000 0.501 752 P HA 0.341 nan 4.420 nan 0.000 0.256 752 P C -0.937 176.422 177.300 0.099 0.000 1.689 752 P CA -0.023 63.114 63.100 0.062 0.000 1.124 752 P CB 0.500 32.229 31.700 0.048 0.000 1.766 753 A N 0.000 122.884 122.820 0.106 0.000 2.254 753 A HA 0.000 4.348 4.320 0.046 0.000 0.244 753 A CA 0.000 52.153 52.037 0.193 0.000 0.836 753 A CB 0.000 19.021 19.000 0.034 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486