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 3p9p_1_A DATA FIRST_RESID 28 DATA SEQUENCE SLAPEDGSHR PAAEPTPPGA QPTAPGSLKA PDTRNEKLNS LEDVRKGSEN DATA SEQUENCE YALTTNQGVR IADDQNSLRA GSRGPTLLED FILREKITHF DHERIPERIV DATA SEQUENCE HARGSAAHGY FQPYKSLSDI TKADFLSDPN KITPVFVRFS TVQGGAGSAD DATA SEQUENCE TVRDIRGFAT KFYTEEGIFD LVGNNTPIFF IQDAHKFPDF VHAVKPEPHW DATA SEQUENCE AIPQGQSAHD TFWDYVSLQP ETLHNVMWAM SDRGIPRSYR TMEGFGVHTF DATA SEQUENCE RLINAEGKAT FVRFHWKPLA GKASLVWDEA QKLTGRDPDF HRRELWEAIE DATA SEQUENCE AGDFPEYELG FQLIPEEDEF KFDFDLLDPT KLIPEELVPV QRVGKMVLNR DATA SEQUENCE NPDNFFAENE QAAFHPGHIV PGLDFTNDPL LQGRLFSYTD TQISRLGGPN DATA SEQUENCE FHEIPINRPT CPYHNFQRDG 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 PCGNIADIAD 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 0.000 174.572 174.600 -0.046 0.000 1.055 28 S CA 0.000 58.180 58.200 -0.034 0.000 1.107 28 S CB 0.000 63.184 63.200 -0.027 0.000 0.593 29 L N -0.377 120.808 121.223 -0.062 0.000 2.322 29 L HA 1.095 5.472 4.340 0.063 0.000 0.252 29 L C 0.395 177.180 176.870 -0.140 0.000 1.055 29 L CA -1.024 53.762 54.840 -0.089 0.000 0.849 29 L CB -0.015 42.000 42.059 -0.073 0.000 1.446 29 L HN 0.361 nan 8.230 nan 0.000 0.416 30 A N 0.660 123.335 122.820 -0.241 0.000 2.507 30 A HA 0.546 4.904 4.320 0.063 0.000 0.235 30 A C -2.012 175.416 177.584 -0.260 0.000 1.070 30 A CA -0.512 51.251 52.037 -0.457 0.000 0.768 30 A CB -1.161 17.287 19.000 -0.921 0.000 1.011 30 A HN 0.739 nan 8.150 nan 0.000 0.502 31 P HA 0.054 nan 4.420 nan 0.000 0.268 31 P C 0.156 177.432 177.300 -0.040 0.000 1.205 31 P CA 0.047 63.108 63.100 -0.065 0.000 0.771 31 P CB 0.746 32.448 31.700 0.004 0.000 0.858 32 E N 1.191 121.381 120.200 -0.017 0.000 2.265 32 E HA -0.207 4.181 4.350 0.063 0.000 0.196 32 E C 0.967 177.586 176.600 0.030 0.000 0.996 32 E CA 1.312 57.713 56.400 0.001 0.000 0.832 32 E CB -0.080 29.619 29.700 -0.002 0.000 0.756 32 E HN 0.496 nan 8.360 nan 0.000 0.491 33 D N -1.547 118.879 120.400 0.043 0.000 2.340 33 D HA 0.040 4.718 4.640 0.063 0.000 0.220 33 D C 1.271 177.621 176.300 0.084 0.000 1.039 33 D CA 0.706 54.737 54.000 0.052 0.000 0.866 33 D CB -0.030 40.793 40.800 0.038 0.000 0.913 33 D HN 0.204 nan 8.370 nan 0.000 0.523 34 G N 0.485 109.379 108.800 0.156 0.000 2.168 34 G HA2 -0.377 3.620 3.960 0.063 0.000 0.263 34 G HA3 -0.377 3.620 3.960 0.063 0.000 0.263 34 G C 1.132 176.121 174.900 0.149 0.000 0.977 34 G CA 0.929 46.161 45.100 0.219 0.000 0.659 34 G HN 0.707 nan 8.290 nan 0.000 0.533 35 S N 0.071 115.869 115.700 0.163 0.000 2.555 35 S HA -0.013 4.495 4.470 0.063 0.000 0.230 35 S C 1.771 176.423 174.600 0.086 0.000 0.978 35 S CA 1.354 59.603 58.200 0.080 0.000 0.934 35 S CB -0.680 62.558 63.200 0.063 0.000 0.766 35 S HN 1.074 nan 8.310 nan 0.000 0.533 36 H N 0.690 119.767 119.070 0.011 0.000 2.491 36 H HA 0.229 4.823 4.556 0.063 0.000 0.290 36 H C 1.164 176.503 175.328 0.019 0.000 1.050 36 H CA 0.588 56.643 56.048 0.013 0.000 1.309 36 H CB -0.114 29.655 29.762 0.011 0.000 1.392 36 H HN 0.383 nan 8.280 nan 0.000 0.554 37 R N 1.923 122.121 120.500 -0.505 0.000 2.343 37 R HA 0.323 4.701 4.340 0.063 0.000 0.320 37 R C -2.819 173.389 176.300 -0.152 0.000 0.956 37 R CA -2.434 53.442 56.100 -0.372 0.000 0.836 37 R CB 0.920 30.906 30.300 -0.524 0.000 1.151 37 R HN 0.085 nan 8.270 nan 0.000 0.450 38 P HA 0.060 nan 4.420 nan 0.000 0.268 38 P C -0.859 176.431 177.300 -0.017 0.000 1.204 38 P CA -0.170 62.918 63.100 -0.019 0.000 0.768 38 P CB 1.004 32.717 31.700 0.021 0.000 0.842 39 A N 3.220 126.036 122.820 -0.007 0.000 2.540 39 A HA 0.339 4.696 4.320 0.063 0.000 0.239 39 A C 0.912 178.505 177.584 0.015 0.000 1.061 39 A CA 0.248 52.286 52.037 0.001 0.000 0.758 39 A CB -0.425 18.577 19.000 0.005 0.000 0.991 39 A HN 0.582 nan 8.150 nan 0.000 0.502 40 A N 3.165 125.995 122.820 0.015 0.000 3.118 40 A HA 0.511 4.868 4.320 0.063 0.000 0.256 40 A C 0.314 177.914 177.584 0.028 0.000 1.667 40 A CA 0.129 52.181 52.037 0.025 0.000 1.338 40 A CB -0.820 18.193 19.000 0.021 0.000 1.127 40 A HN 0.921 nan 8.150 nan 0.000 0.634 41 E N -0.488 119.730 120.200 0.030 0.000 2.430 41 E HA 0.589 4.977 4.350 0.063 0.000 0.279 41 E C -3.266 173.354 176.600 0.033 0.000 1.003 41 E CA -2.527 53.892 56.400 0.031 0.000 0.801 41 E CB 0.923 30.636 29.700 0.022 0.000 1.313 41 E HN 0.058 nan 8.360 nan 0.000 0.459 42 P HA 0.118 nan 4.420 nan 0.000 0.268 42 P C -0.887 176.417 177.300 0.007 0.000 1.204 42 P CA 0.126 63.237 63.100 0.018 0.000 0.768 42 P CB 0.677 32.377 31.700 -0.001 0.000 0.842 43 T N 0.566 115.118 114.554 -0.003 0.000 2.916 43 T HA 0.618 5.006 4.350 0.063 0.000 0.305 43 T C -2.997 171.666 174.700 -0.062 0.000 1.119 43 T CA -2.510 59.583 62.100 -0.013 0.000 1.008 43 T CB 1.681 70.550 68.868 0.001 0.000 1.129 43 T HN 0.067 nan 8.240 nan 0.000 0.480 44 P HA 0.397 nan 4.420 nan 0.000 0.274 44 P C -2.788 174.374 177.300 -0.230 0.000 1.246 44 P CA -1.680 61.251 63.100 -0.281 0.000 0.795 44 P CB -0.951 30.651 31.700 -0.165 0.000 1.006 45 P HA 0.092 nan 4.420 nan 0.000 0.265 45 P C 1.018 178.278 177.300 -0.067 0.000 1.193 45 P CA 1.259 64.272 63.100 -0.145 0.000 0.765 45 P CB -0.174 31.443 31.700 -0.138 0.000 0.823 46 G N 2.383 111.170 108.800 -0.022 0.000 2.205 46 G HA2 -0.337 3.660 3.960 0.063 0.000 0.261 46 G HA3 -0.337 3.660 3.960 0.063 0.000 0.261 46 G C 1.095 175.994 174.900 -0.001 0.000 0.980 46 G CA 0.401 45.500 45.100 -0.002 0.000 0.632 46 G HN 0.681 nan 8.290 nan 0.000 0.533 47 A N -1.264 121.550 122.820 -0.009 0.000 2.021 47 A HA 0.478 4.836 4.320 0.063 0.000 0.216 47 A C 1.262 178.849 177.584 0.005 0.000 1.163 47 A CA 1.844 53.880 52.037 -0.002 0.000 0.676 47 A CB 0.069 19.064 19.000 -0.007 0.000 0.818 47 A HN 0.477 nan 8.150 nan 0.000 0.453 48 Q N -0.927 118.879 119.800 0.010 0.000 2.416 48 Q HA 0.408 4.786 4.340 0.063 0.000 0.281 48 Q C -2.992 173.023 176.000 0.024 0.000 1.067 48 Q CA -2.009 53.804 55.803 0.016 0.000 0.809 48 Q CB 1.157 29.907 28.738 0.020 0.000 1.418 48 Q HN 0.038 nan 8.270 nan 0.000 0.411 49 P HA 0.006 nan 4.420 nan 0.000 0.266 49 P C -0.159 177.174 177.300 0.054 0.000 1.195 49 P CA 0.188 63.302 63.100 0.024 0.000 0.768 49 P CB 0.236 31.947 31.700 0.018 0.000 0.838 50 T N -0.529 114.059 114.554 0.055 0.000 2.813 50 T HA 0.592 4.979 4.350 0.063 0.000 0.297 50 T C -0.016 174.775 174.700 0.152 0.000 1.036 50 T CA -0.481 61.704 62.100 0.141 0.000 1.044 50 T CB 0.667 69.566 68.868 0.051 0.000 0.993 50 T HN 0.565 nan 8.240 nan 0.000 0.535 51 A N 1.591 124.602 122.820 0.318 0.000 2.609 51 A HA 0.764 5.122 4.320 0.063 0.000 0.291 51 A C -3.068 174.779 177.584 0.438 0.000 1.096 51 A CA -2.041 50.153 52.037 0.262 0.000 0.684 51 A CB 0.640 19.746 19.000 0.177 0.000 1.282 51 A HN 0.660 nan 8.150 nan 0.000 0.412 52 P HA 0.111 nan 4.420 nan 0.000 0.265 52 P C 1.255 178.704 177.300 0.249 0.000 1.187 52 P CA 0.969 64.283 63.100 0.357 0.000 0.766 52 P CB 0.573 32.404 31.700 0.219 0.000 0.820 53 G N 2.277 111.184 108.800 0.179 0.000 2.469 53 G HA2 -0.300 3.698 3.960 0.063 0.000 0.219 53 G HA3 -0.300 3.698 3.960 0.063 0.000 0.219 53 G C 1.517 176.434 174.900 0.029 0.000 1.150 53 G CA 1.125 46.244 45.100 0.032 0.000 0.763 53 G HN 0.594 nan 8.290 nan 0.000 0.561 54 S N -0.157 115.565 115.700 0.037 0.000 2.481 54 S HA 0.172 4.680 4.470 0.063 0.000 0.231 54 S C 2.151 176.771 174.600 0.032 0.000 0.996 54 S CA 0.668 58.876 58.200 0.013 0.000 0.942 54 S CB -0.116 63.084 63.200 0.001 0.000 0.768 54 S HN 0.316 nan 8.310 nan 0.000 0.520 55 L N -0.226 121.033 121.223 0.060 0.000 2.357 55 L HA 0.300 4.677 4.340 0.063 0.000 0.211 55 L C 2.601 179.505 176.870 0.056 0.000 1.075 55 L CA 0.660 55.534 54.840 0.057 0.000 0.830 55 L CB -0.250 41.852 42.059 0.071 0.000 0.996 55 L HN 0.236 nan 8.230 nan 0.000 0.467 56 K N 1.383 121.826 120.400 0.072 0.000 2.116 56 K HA 0.044 4.402 4.320 0.063 0.000 0.203 56 K C 0.705 177.334 176.600 0.049 0.000 1.052 56 K CA 1.196 57.524 56.287 0.069 0.000 0.952 56 K CB 0.174 32.730 32.500 0.094 0.000 0.729 56 K HN 0.144 nan 8.250 nan 0.000 0.446 57 A N 0.711 123.552 122.820 0.035 0.000 3.370 57 A HA 0.338 4.696 4.320 0.063 0.000 0.295 57 A C -2.184 175.406 177.584 0.010 0.000 1.030 57 A CA -0.964 51.091 52.037 0.030 0.000 0.883 57 A CB 0.580 19.601 19.000 0.035 0.000 1.191 57 A HN 0.137 nan 8.150 nan 0.000 0.507 58 P HA -0.129 nan 4.420 nan 0.000 0.222 58 P C 0.102 177.397 177.300 -0.009 0.000 1.147 58 P CA 1.191 64.291 63.100 0.000 0.000 0.790 58 P CB 0.309 32.013 31.700 0.008 0.000 0.780 59 D N -0.910 119.489 120.400 -0.001 0.000 2.339 59 D HA 0.021 4.698 4.640 0.063 0.000 0.217 59 D C 0.279 176.569 176.300 -0.017 0.000 1.050 59 D CA 0.567 54.563 54.000 -0.007 0.000 0.856 59 D CB -0.311 40.492 40.800 0.005 0.000 0.922 59 D HN 0.120 nan 8.370 nan 0.000 0.518 60 T N 1.716 116.257 114.554 -0.022 0.000 2.729 60 T HA 0.403 4.790 4.350 0.063 0.000 0.296 60 T C 0.435 175.093 174.700 -0.070 0.000 0.928 60 T CA -0.252 61.823 62.100 -0.042 0.000 1.045 60 T CB 1.147 69.990 68.868 -0.043 0.000 0.902 60 T HN -0.089 nan 8.240 nan 0.000 0.500 61 R N 2.766 123.217 120.500 -0.080 0.000 2.837 61 R HA 0.679 5.056 4.340 0.063 0.000 0.271 61 R C -0.669 175.572 176.300 -0.098 0.000 0.993 61 R CA -1.043 55.002 56.100 -0.092 0.000 0.931 61 R CB 1.614 31.868 30.300 -0.077 0.000 1.206 61 R HN 0.769 nan 8.270 nan 0.000 0.474 62 N N -1.604 117.039 118.700 -0.096 0.000 2.927 62 N HA 0.005 4.783 4.740 0.063 0.000 0.248 62 N C -0.082 175.379 175.510 -0.082 0.000 1.443 62 N CA -0.915 52.090 53.050 -0.075 0.000 0.870 62 N CB 0.884 39.356 38.487 -0.025 0.000 1.444 62 N HN 0.630 nan 8.380 nan 0.000 0.519 63 E N -0.184 119.982 120.200 -0.056 0.000 2.118 63 E HA -0.271 4.117 4.350 0.063 0.000 0.195 63 E C 1.099 177.625 176.600 -0.124 0.000 0.992 63 E CA 1.496 57.857 56.400 -0.065 0.000 0.804 63 E CB 0.107 29.793 29.700 -0.023 0.000 0.741 63 E HN 0.516 nan 8.360 nan 0.000 0.458 64 K N 0.552 120.843 120.400 -0.182 0.000 2.062 64 K HA -0.058 4.299 4.320 0.063 0.000 0.205 64 K C 2.039 178.469 176.600 -0.283 0.000 1.051 64 K CA 0.980 57.066 56.287 -0.336 0.000 0.941 64 K CB -0.316 31.798 32.500 -0.644 0.000 0.719 64 K HN 0.171 nan 8.250 nan 0.000 0.440 65 L N 0.995 122.065 121.223 -0.254 0.000 2.042 65 L HA -0.249 4.128 4.340 0.063 0.000 0.210 65 L C 1.892 178.643 176.870 -0.197 0.000 1.076 65 L CA 1.427 56.091 54.840 -0.292 0.000 0.749 65 L CB -0.660 41.223 42.059 -0.293 0.000 0.893 65 L HN 0.287 nan 8.230 nan 0.000 0.432 66 N N -0.272 118.338 118.700 -0.149 0.000 2.120 66 N HA -0.173 4.605 4.740 0.063 0.000 0.188 66 N C 2.059 177.507 175.510 -0.104 0.000 1.024 66 N CA 1.717 54.702 53.050 -0.109 0.000 0.852 66 N CB -0.595 37.842 38.487 -0.083 0.000 1.003 66 N HN 0.387 nan 8.380 nan 0.000 0.424 67 S N 0.730 116.358 115.700 -0.120 0.000 2.440 67 S HA -0.054 4.454 4.470 0.063 0.000 0.238 67 S C 1.773 176.307 174.600 -0.109 0.000 1.010 67 S CA 0.632 58.767 58.200 -0.109 0.000 0.972 67 S CB -0.570 62.557 63.200 -0.122 0.000 0.774 67 S HN 0.288 nan 8.310 nan 0.000 0.501 68 L N 0.725 121.869 121.223 -0.131 0.000 2.599 68 L HA 0.216 4.594 4.340 0.063 0.000 0.230 68 L C 2.530 179.351 176.870 -0.082 0.000 1.141 68 L CA 0.439 55.211 54.840 -0.113 0.000 0.877 68 L CB -0.375 41.600 42.059 -0.140 0.000 1.009 68 L HN 0.267 nan 8.230 nan 0.000 0.447 69 E N 1.077 121.232 120.200 -0.075 0.000 2.204 69 E HA -0.244 4.143 4.350 0.063 0.000 0.195 69 E C 1.678 178.254 176.600 -0.041 0.000 0.990 69 E CA 1.402 57.770 56.400 -0.052 0.000 0.821 69 E CB -0.018 29.654 29.700 -0.046 0.000 0.750 69 E HN 0.572 nan 8.360 nan 0.000 0.477 70 D N -0.596 119.778 120.400 -0.044 0.000 2.218 70 D HA -0.141 4.536 4.640 0.063 0.000 0.204 70 D C 1.640 177.920 176.300 -0.033 0.000 0.976 70 D CA 1.520 55.499 54.000 -0.035 0.000 0.853 70 D CB -0.377 40.402 40.800 -0.036 0.000 0.939 70 D HN 0.298 nan 8.370 nan 0.000 0.481 71 V N -3.434 116.458 119.914 -0.037 0.000 3.528 71 V HA 0.323 4.480 4.120 0.063 0.000 0.294 71 V C 0.795 176.875 176.094 -0.023 0.000 1.404 71 V CA -0.703 61.579 62.300 -0.030 0.000 1.065 71 V CB -0.533 31.273 31.823 -0.029 0.000 0.904 71 V HN -0.160 nan 8.190 nan 0.000 0.435 72 R N 1.884 122.369 120.500 -0.024 0.000 2.537 72 R HA 0.445 4.823 4.340 0.063 0.000 0.280 72 R C -0.340 175.951 176.300 -0.015 0.000 1.058 72 R CA 0.062 56.155 56.100 -0.011 0.000 1.057 72 R CB 0.665 30.959 30.300 -0.010 0.000 0.973 72 R HN 0.308 nan 8.270 nan 0.000 0.438 73 K N 0.897 121.291 120.400 -0.010 0.000 2.345 73 K HA 0.361 4.719 4.320 0.063 0.000 0.255 73 K C -0.166 176.432 176.600 -0.003 0.000 0.934 73 K CA -0.350 55.916 56.287 -0.036 0.000 0.801 73 K CB 1.916 34.381 32.500 -0.058 0.000 1.137 73 K HN 0.677 nan 8.250 nan 0.000 0.424 74 G N 0.351 109.157 108.800 0.010 0.000 2.531 74 G HA2 0.351 4.349 3.960 0.063 0.000 0.253 74 G HA3 0.351 4.349 3.960 0.063 0.000 0.253 74 G C 0.120 175.088 174.900 0.113 0.000 1.439 74 G CA 0.180 45.340 45.100 0.101 0.000 1.056 74 G HN 0.759 nan 8.290 nan 0.000 0.555 75 S N -2.622 113.232 115.700 0.256 0.000 2.501 75 S HA 0.103 4.611 4.470 0.063 0.000 0.250 75 S C 0.179 174.963 174.600 0.306 0.000 0.959 75 S CA -0.140 58.219 58.200 0.264 0.000 1.250 75 S CB 0.003 63.280 63.200 0.129 0.000 0.933 75 S HN 0.502 nan 8.310 nan 0.000 0.420 76 E N 3.044 123.353 120.200 0.181 0.000 2.414 76 E HA 0.328 4.716 4.350 0.063 0.000 0.263 76 E C -0.212 176.336 176.600 -0.086 0.000 1.000 76 E CA 0.188 56.621 56.400 0.056 0.000 0.914 76 E CB 0.073 29.791 29.700 0.031 0.000 0.948 76 E HN 0.379 nan 8.360 nan 0.000 0.444 77 N N 0.565 119.208 118.700 -0.094 0.000 2.909 77 N HA -0.211 4.567 4.740 0.063 0.000 0.242 77 N C -1.195 174.160 175.510 -0.258 0.000 0.975 77 N CA 1.140 54.074 53.050 -0.194 0.000 0.921 77 N CB -1.379 36.943 38.487 -0.276 0.000 1.112 77 N HN 0.393 nan 8.380 nan 0.000 0.581 78 Y N 0.631 120.937 120.300 0.009 0.000 2.420 78 Y HA 0.648 5.236 4.550 0.064 0.000 0.334 78 Y C 0.879 176.782 175.900 0.005 0.000 1.094 78 Y CA -0.558 57.546 58.100 0.007 0.000 1.126 78 Y CB 1.186 39.651 38.460 0.008 0.000 1.217 78 Y HN 0.128 nan 8.280 nan 0.000 0.462 79 A N 2.813 125.749 122.820 0.194 0.000 2.407 79 A HA 0.390 4.748 4.320 0.063 0.000 0.248 79 A C -0.694 176.942 177.584 0.086 0.000 1.082 79 A CA -0.484 51.615 52.037 0.104 0.000 0.785 79 A CB 0.090 19.138 19.000 0.081 0.000 1.020 79 A HN 0.715 nan 8.150 nan 0.000 0.489 80 L N 2.778 124.031 121.223 0.051 0.000 2.410 80 L HA 0.525 4.902 4.340 0.063 0.000 0.273 80 L C 0.645 177.527 176.870 0.019 0.000 1.152 80 L CA 1.189 56.046 54.840 0.027 0.000 0.855 80 L CB 0.554 42.620 42.059 0.012 0.000 1.129 80 L HN 0.917 nan 8.230 nan 0.000 0.463 81 T N 0.290 114.850 114.554 0.009 0.000 2.883 81 T HA 0.620 5.007 4.350 0.063 0.000 0.296 81 T C 0.105 174.809 174.700 0.008 0.000 1.117 81 T CA -0.210 61.899 62.100 0.015 0.000 1.006 81 T CB 1.033 69.912 68.868 0.019 0.000 1.191 81 T HN 0.838 nan 8.240 nan 0.000 0.508 82 T N 0.488 115.060 114.554 0.031 0.000 2.748 82 T HA 0.188 4.575 4.350 0.063 0.000 0.304 82 T C 1.048 175.768 174.700 0.034 0.000 1.041 82 T CA -0.437 61.691 62.100 0.047 0.000 1.033 82 T CB -0.041 68.900 68.868 0.122 0.000 0.995 82 T HN 0.570 nan 8.240 nan 0.000 0.536 83 N N 0.646 119.367 118.700 0.036 0.000 2.520 83 N HA -0.066 4.711 4.740 0.063 0.000 0.185 83 N C 1.538 177.068 175.510 0.033 0.000 1.068 83 N CA 0.531 53.593 53.050 0.020 0.000 0.911 83 N CB -0.138 38.368 38.487 0.032 0.000 0.961 83 N HN 0.572 nan 8.380 nan 0.000 0.446 84 Q N -0.577 119.255 119.800 0.055 0.000 2.360 84 Q HA 0.179 4.557 4.340 0.063 0.000 0.202 84 Q C 0.868 176.891 176.000 0.039 0.000 0.915 84 Q CA 0.218 56.049 55.803 0.046 0.000 0.943 84 Q CB 0.385 29.155 28.738 0.054 0.000 1.064 84 Q HN 0.390 nan 8.270 nan 0.000 0.511 85 G N 0.497 109.319 108.800 0.037 0.000 2.141 85 G HA2 -0.237 3.760 3.960 0.063 0.000 0.242 85 G HA3 -0.237 3.760 3.960 0.063 0.000 0.242 85 G C 0.098 175.027 174.900 0.047 0.000 0.982 85 G CA 0.152 45.270 45.100 0.030 0.000 0.662 85 G HN 0.224 nan 8.290 nan 0.000 0.527 86 V N 1.626 121.585 119.914 0.075 0.000 2.461 86 V HA 0.358 4.516 4.120 0.063 0.000 0.275 86 V C 1.331 177.469 176.094 0.073 0.000 1.047 86 V CA -0.551 61.806 62.300 0.094 0.000 0.955 86 V CB 1.101 33.028 31.823 0.174 0.000 0.988 86 V HN 0.410 nan 8.190 nan 0.000 0.471 87 R N 4.304 124.839 120.500 0.058 0.000 2.570 87 R HA 0.343 4.721 4.340 0.063 0.000 0.277 87 R C -0.501 175.816 176.300 0.029 0.000 1.039 87 R CA -0.020 56.104 56.100 0.041 0.000 1.065 87 R CB 0.473 30.796 30.300 0.038 0.000 0.964 87 R HN 0.573 nan 8.270 nan 0.000 0.428 88 I N 1.864 122.439 120.570 0.008 0.000 2.385 88 I HA 0.136 4.344 4.170 0.063 0.000 0.294 88 I C 0.915 177.023 176.117 -0.014 0.000 0.988 88 I CA 0.029 61.318 61.300 -0.019 0.000 1.265 88 I CB 1.911 39.889 38.000 -0.036 0.000 1.388 88 I HN 0.768 nan 8.210 nan 0.000 0.480 89 A N 3.852 126.659 122.820 -0.021 0.000 1.956 89 A HA 0.046 4.403 4.320 0.063 0.000 0.212 89 A C 0.579 178.149 177.584 -0.024 0.000 1.188 89 A CA 0.811 52.839 52.037 -0.016 0.000 0.675 89 A CB 0.104 19.097 19.000 -0.011 0.000 0.845 89 A HN 0.679 nan 8.150 nan 0.000 0.455 90 D N -0.538 119.839 120.400 -0.038 0.000 2.421 90 D HA 0.316 4.994 4.640 0.063 0.000 0.254 90 D C -1.415 174.853 176.300 -0.053 0.000 1.238 90 D CA -0.341 53.635 54.000 -0.041 0.000 0.919 90 D CB 1.239 42.015 40.800 -0.040 0.000 1.152 90 D HN 0.039 nan 8.370 nan 0.000 0.552 91 D N 2.045 122.417 120.400 -0.047 0.000 2.395 91 D HA 0.063 4.741 4.640 0.063 0.000 0.226 91 D C 0.548 176.815 176.300 -0.054 0.000 1.146 91 D CA 0.255 54.223 54.000 -0.054 0.000 0.830 91 D CB 0.498 41.271 40.800 -0.045 0.000 0.958 91 D HN 0.220 nan 8.370 nan 0.000 0.501 92 Q N -0.632 119.138 119.800 -0.050 0.000 2.214 92 Q HA 0.275 4.653 4.340 0.063 0.000 0.229 92 Q C -0.230 175.740 176.000 -0.050 0.000 0.835 92 Q CA 0.125 55.900 55.803 -0.048 0.000 0.953 92 Q CB 0.853 29.568 28.738 -0.038 0.000 1.131 92 Q HN 0.182 nan 8.270 nan 0.000 0.501 93 N N 0.138 118.806 118.700 -0.053 0.000 2.264 93 N HA 0.296 5.073 4.740 0.063 0.000 0.288 93 N C -1.004 174.471 175.510 -0.058 0.000 1.094 93 N CA -0.225 52.795 53.050 -0.050 0.000 0.817 93 N CB 2.147 40.609 38.487 -0.041 0.000 1.604 93 N HN -0.175 nan 8.380 nan 0.000 0.473 94 S N 0.855 116.523 115.700 -0.053 0.000 2.592 94 S HA 0.233 4.740 4.470 0.063 0.000 0.271 94 S C 0.266 174.839 174.600 -0.045 0.000 1.326 94 S CA -0.567 57.601 58.200 -0.053 0.000 1.024 94 S CB 0.717 63.892 63.200 -0.041 0.000 0.921 94 S HN 0.401 nan 8.310 nan 0.000 0.527 95 L N 3.769 124.964 121.223 -0.046 0.000 2.360 95 L HA 0.357 4.735 4.340 0.063 0.000 0.276 95 L C 0.173 177.033 176.870 -0.017 0.000 1.121 95 L CA 0.517 55.339 54.840 -0.031 0.000 0.845 95 L CB -0.157 41.884 42.059 -0.030 0.000 1.143 95 L HN 0.714 nan 8.230 nan 0.000 0.452 96 R N 4.212 124.704 120.500 -0.012 0.000 2.836 96 R HA 0.853 5.230 4.340 0.063 0.000 0.269 96 R C -1.128 175.170 176.300 -0.003 0.000 1.010 96 R CA -0.861 55.235 56.100 -0.007 0.000 0.930 96 R CB 1.096 31.390 30.300 -0.010 0.000 1.218 96 R HN 0.577 nan 8.270 nan 0.000 0.473 97 A N 1.244 124.064 122.820 -0.000 0.000 2.666 97 A HA 0.577 4.934 4.320 0.063 0.000 0.312 97 A C 0.619 178.202 177.584 -0.000 0.000 1.471 97 A CA 0.297 52.335 52.037 0.002 0.000 1.134 97 A CB -0.884 18.118 19.000 0.004 0.000 1.129 97 A HN 1.186 nan 8.150 nan 0.000 0.539 98 G N 1.213 110.012 108.800 -0.002 0.000 2.733 98 G HA2 -0.005 3.993 3.960 0.063 0.000 0.686 98 G HA3 -0.005 3.993 3.960 0.063 0.000 0.686 98 G C 0.723 175.620 174.900 -0.006 0.000 1.373 98 G CA 0.143 45.241 45.100 -0.003 0.000 0.838 98 G HN 1.862 nan 8.290 nan 0.000 0.588 99 S N -0.372 115.324 115.700 -0.007 0.000 2.515 99 S HA 0.039 4.546 4.470 0.063 0.000 0.231 99 S C 1.538 176.132 174.600 -0.010 0.000 0.987 99 S CA 1.306 59.501 58.200 -0.009 0.000 0.936 99 S CB 0.118 63.312 63.200 -0.010 0.000 0.766 99 S HN 0.734 nan 8.310 nan 0.000 0.528 100 R N 0.875 121.370 120.500 -0.008 0.000 2.586 100 R HA 0.337 4.714 4.340 0.063 0.000 0.336 100 R C 0.828 177.124 176.300 -0.006 0.000 1.060 100 R CA 0.023 56.118 56.100 -0.007 0.000 1.079 100 R CB 0.786 31.082 30.300 -0.006 0.000 1.317 100 R HN 0.452 nan 8.270 nan 0.000 0.568 101 G N 1.583 110.380 108.800 -0.006 0.000 2.557 101 G HA2 0.401 4.399 3.960 0.063 0.000 0.302 101 G HA3 0.401 4.399 3.960 0.063 0.000 0.302 101 G C -2.423 172.474 174.900 -0.004 0.000 1.311 101 G CA -1.096 44.001 45.100 -0.004 0.000 1.030 101 G HN -0.102 nan 8.290 nan 0.000 0.509 102 P HA 0.230 nan 4.420 nan 0.000 0.274 102 P C -0.206 177.093 177.300 -0.001 0.000 1.231 102 P CA -0.083 63.016 63.100 -0.001 0.000 0.790 102 P CB 0.893 32.594 31.700 0.002 0.000 0.951 103 T N 2.392 116.944 114.554 -0.002 0.000 2.907 103 T HA 0.273 4.661 4.350 0.063 0.000 0.298 103 T C 0.439 175.141 174.700 0.004 0.000 1.017 103 T CA -0.143 61.956 62.100 -0.003 0.000 1.118 103 T CB 0.015 68.879 68.868 -0.007 0.000 0.948 103 T HN 0.187 nan 8.240 nan 0.000 0.531 104 L N 3.535 124.762 121.223 0.007 0.000 2.325 104 L HA 0.340 4.718 4.340 0.063 0.000 0.279 104 L C 1.366 178.251 176.870 0.026 0.000 1.054 104 L CA -0.763 54.087 54.840 0.017 0.000 0.804 104 L CB 1.050 43.121 42.059 0.020 0.000 1.200 104 L HN 0.527 nan 8.230 nan 0.000 0.436 105 L N 2.315 123.557 121.223 0.032 0.000 2.265 105 L HA -0.172 4.205 4.340 0.063 0.000 0.215 105 L C 2.215 179.123 176.870 0.065 0.000 1.117 105 L CA 1.585 56.450 54.840 0.043 0.000 0.782 105 L CB -0.480 41.601 42.059 0.038 0.000 0.914 105 L HN 0.785 nan 8.230 nan 0.000 0.441 106 E N -1.741 118.501 120.200 0.071 0.000 2.511 106 E HA -0.141 4.246 4.350 0.063 0.000 0.196 106 E C 0.220 176.917 176.600 0.161 0.000 1.066 106 E CA 0.112 56.582 56.400 0.116 0.000 0.871 106 E CB -0.452 29.308 29.700 0.101 0.000 0.863 106 E HN 0.339 nan 8.360 nan 0.000 0.520 107 D N 1.293 121.740 120.400 0.078 0.000 2.441 107 D HA -0.057 4.620 4.640 0.063 0.000 0.243 107 D C 0.374 176.681 176.300 0.012 0.000 1.257 107 D CA -0.390 53.608 54.000 -0.003 0.000 1.027 107 D CB -0.153 40.621 40.800 -0.044 0.000 1.084 107 D HN 0.331 nan 8.370 nan 0.000 0.514 108 F N 1.902 121.861 119.950 0.014 0.000 2.456 108 F HA 0.120 4.685 4.527 0.062 0.000 0.298 108 F C 1.609 177.421 175.800 0.021 0.000 1.104 108 F CA 0.063 58.074 58.000 0.020 0.000 1.435 108 F CB -0.534 38.477 39.000 0.018 0.000 1.078 108 F HN 0.177 nan 8.300 nan 0.000 0.546 109 I N 0.362 120.520 120.570 -0.687 0.000 2.233 109 I HA -0.182 4.026 4.170 0.063 0.000 0.243 109 I C 2.446 178.459 176.117 -0.172 0.000 1.093 109 I CA 0.904 61.938 61.300 -0.443 0.000 1.380 109 I CB -0.454 37.217 38.000 -0.548 0.000 1.067 109 I HN 0.263 nan 8.210 nan 0.000 0.413 110 L N 1.078 122.211 121.223 -0.150 0.000 2.012 110 L HA -0.194 4.184 4.340 0.063 0.000 0.210 110 L C 2.626 179.487 176.870 -0.015 0.000 1.073 110 L CA 1.878 56.674 54.840 -0.073 0.000 0.748 110 L CB -0.550 41.471 42.059 -0.064 0.000 0.891 110 L HN 0.052 nan 8.230 nan 0.000 0.431 111 R N -0.647 119.861 120.500 0.014 0.000 2.092 111 R HA -0.170 4.207 4.340 0.063 0.000 0.231 111 R C 2.298 178.653 176.300 0.093 0.000 1.119 111 R CA 1.466 57.604 56.100 0.062 0.000 0.970 111 R CB -0.364 29.987 30.300 0.085 0.000 0.864 111 R HN 0.580 nan 8.270 nan 0.000 0.440 112 E N 1.212 121.471 120.200 0.100 0.000 2.077 112 E HA -0.239 4.149 4.350 0.063 0.000 0.193 112 E C 1.919 178.597 176.600 0.129 0.000 0.989 112 E CA 1.237 57.714 56.400 0.128 0.000 0.800 112 E CB 0.115 29.897 29.700 0.137 0.000 0.746 112 E HN 0.154 nan 8.360 nan 0.000 0.452 113 K N 0.219 120.664 120.400 0.075 0.000 2.026 113 K HA -0.135 4.223 4.320 0.063 0.000 0.208 113 K C 2.107 178.782 176.600 0.126 0.000 1.048 113 K CA 1.316 57.646 56.287 0.073 0.000 0.929 113 K CB -0.014 32.485 32.500 -0.002 0.000 0.713 113 K HN 0.140 nan 8.250 nan 0.000 0.439 114 I N 1.323 121.947 120.570 0.089 0.000 2.439 114 I HA -0.162 4.046 4.170 0.063 0.000 0.251 114 I C 2.088 178.318 176.117 0.189 0.000 1.139 114 I CA 1.252 62.625 61.300 0.123 0.000 1.438 114 I CB -1.358 36.678 38.000 0.059 0.000 1.085 114 I HN 0.231 nan 8.210 nan 0.000 0.427 115 T N -0.270 114.386 114.554 0.169 0.000 2.746 115 T HA -0.220 4.168 4.350 0.063 0.000 0.267 115 T C 1.962 176.799 174.700 0.227 0.000 1.039 115 T CA 1.402 63.624 62.100 0.202 0.000 1.142 115 T CB -0.408 68.583 68.868 0.205 0.000 0.866 115 T HN 0.336 nan 8.240 nan 0.000 0.444 116 H N -0.000 119.168 119.070 0.164 0.000 2.353 116 H HA -0.072 4.521 4.556 0.063 0.000 0.300 116 H C 2.185 177.582 175.328 0.114 0.000 1.090 116 H CA 1.599 57.731 56.048 0.138 0.000 1.327 116 H CB -0.466 29.354 29.762 0.097 0.000 1.383 116 H HN 0.407 nan 8.280 nan 0.000 0.508 117 F N 2.040 122.046 119.950 0.093 0.000 2.126 117 F HA -0.205 4.361 4.527 0.064 0.000 0.299 117 F C 1.948 177.692 175.800 -0.093 0.000 1.096 117 F CA 1.786 59.794 58.000 0.013 0.000 1.255 117 F CB -0.310 38.692 39.000 0.003 0.000 0.997 117 F HN 0.059 nan 8.300 nan 0.000 0.479 118 D N -1.175 119.136 120.400 -0.149 0.000 2.309 118 D HA -0.131 4.546 4.640 0.063 0.000 0.212 118 D C 1.134 177.017 176.300 -0.695 0.000 0.968 118 D CA 1.127 54.864 54.000 -0.439 0.000 0.882 118 D CB -0.362 40.179 40.800 -0.432 0.000 0.918 118 D HN 0.493 nan 8.370 nan 0.000 0.503 119 H N -0.393 118.560 119.070 -0.195 0.000 2.475 119 H HA 0.230 4.824 4.556 0.063 0.000 0.276 119 H C 0.935 176.109 175.328 -0.256 0.000 1.126 119 H CA -0.101 55.831 56.048 -0.194 0.000 1.023 119 H CB 0.482 30.145 29.762 -0.165 0.000 1.669 119 H HN 0.266 nan 8.280 nan 0.000 0.573 120 E N 0.666 120.709 120.200 -0.262 0.000 2.208 120 E HA -0.022 4.365 4.350 0.063 0.000 0.193 120 E C 0.474 176.939 176.600 -0.225 0.000 0.988 120 E CA 0.442 56.672 56.400 -0.284 0.000 0.828 120 E CB 0.491 30.000 29.700 -0.319 0.000 0.763 120 E HN 0.177 nan 8.360 nan 0.000 0.478 121 R N 1.302 121.723 120.500 -0.133 0.000 2.410 121 R HA 0.363 4.740 4.340 0.063 0.000 0.288 121 R C 0.423 176.768 176.300 0.076 0.000 1.051 121 R CA -0.236 55.858 56.100 -0.011 0.000 1.021 121 R CB 0.830 31.111 30.300 -0.031 0.000 1.032 121 R HN 0.141 nan 8.270 nan 0.000 0.481 122 I N -0.967 119.711 120.570 0.180 0.000 2.910 122 I HA 0.606 4.814 4.170 0.063 0.000 0.310 122 I C -2.260 173.922 176.117 0.110 0.000 1.043 122 I CA -3.008 58.384 61.300 0.153 0.000 1.053 122 I CB 1.694 39.818 38.000 0.205 0.000 1.242 122 I HN 0.234 nan 8.210 nan 0.000 0.452 123 P HA 0.115 nan 4.420 nan 0.000 0.268 123 P C -0.967 176.364 177.300 0.052 0.000 1.205 123 P CA -0.129 63.002 63.100 0.051 0.000 0.771 123 P CB 0.449 32.169 31.700 0.032 0.000 0.858 124 E N 2.518 122.750 120.200 0.053 0.000 2.371 124 E HA 0.213 4.600 4.350 0.063 0.000 0.257 124 E C -0.450 176.175 176.600 0.042 0.000 1.134 124 E CA -0.846 55.589 56.400 0.058 0.000 0.919 124 E CB 0.667 30.407 29.700 0.067 0.000 1.025 124 E HN 0.251 nan 8.360 nan 0.000 0.438 125 R N 0.792 121.322 120.500 0.049 0.000 2.623 125 R HA 0.002 4.380 4.340 0.063 0.000 0.271 125 R C 1.279 177.613 176.300 0.055 0.000 1.043 125 R CA -0.425 55.701 56.100 0.044 0.000 1.083 125 R CB 0.300 30.647 30.300 0.078 0.000 0.974 125 R HN 0.587 nan 8.270 nan 0.000 0.436 126 I N 1.836 122.433 120.570 0.044 0.000 2.286 126 I HA -0.132 4.076 4.170 0.063 0.000 0.248 126 I C 1.183 177.352 176.117 0.085 0.000 1.115 126 I CA 1.478 62.813 61.300 0.059 0.000 1.392 126 I CB -1.014 37.023 38.000 0.060 0.000 1.065 126 I HN 0.375 nan 8.210 nan 0.000 0.418 127 V N -3.376 116.622 119.914 0.140 0.000 3.102 127 V HA 0.513 4.671 4.120 0.063 0.000 0.312 127 V C 0.473 176.729 176.094 0.270 0.000 1.135 127 V CA -0.861 61.548 62.300 0.181 0.000 1.022 127 V CB 1.794 33.809 31.823 0.319 0.000 1.056 127 V HN 0.393 nan 8.190 nan 0.000 0.436 128 H N 0.219 119.353 119.070 0.106 0.000 2.899 128 H HA -0.231 4.363 4.556 0.063 0.000 0.282 128 H C 1.597 176.971 175.328 0.077 0.000 1.198 128 H CA 0.833 56.937 56.048 0.093 0.000 1.140 128 H CB -1.192 28.614 29.762 0.074 0.000 1.317 128 H HN 1.168 nan 8.280 nan 0.000 0.375 129 A N 0.735 123.642 122.820 0.144 0.000 2.024 129 A HA -0.130 4.228 4.320 0.063 0.000 0.220 129 A C 1.709 179.380 177.584 0.145 0.000 1.164 129 A CA 1.425 53.537 52.037 0.125 0.000 0.643 129 A CB -0.114 18.939 19.000 0.088 0.000 0.806 129 A HN 0.283 nan 8.150 nan 0.000 0.451 130 R N 0.074 120.661 120.500 0.145 0.000 2.202 130 R HA 0.515 4.893 4.340 0.063 0.000 0.334 130 R C -0.108 176.315 176.300 0.206 0.000 1.036 130 R CA 0.735 56.940 56.100 0.174 0.000 0.878 130 R CB 0.346 30.735 30.300 0.149 0.000 1.067 130 R HN 0.325 nan 8.270 nan 0.000 0.457 131 G N 0.780 109.726 108.800 0.243 0.000 2.646 131 G HA2 0.519 4.516 3.960 0.063 0.000 0.291 131 G HA3 0.519 4.516 3.960 0.063 0.000 0.291 131 G C -1.606 173.444 174.900 0.251 0.000 1.445 131 G CA -0.583 44.624 45.100 0.179 0.000 0.814 131 G HN 0.501 nan 8.290 nan 0.000 0.495 132 S N -1.126 114.655 115.700 0.135 0.000 2.547 132 S HA 0.889 5.397 4.470 0.063 0.000 0.281 132 S C -0.217 174.382 174.600 -0.002 0.000 1.118 132 S CA -0.094 58.252 58.200 0.244 0.000 0.947 132 S CB 1.750 65.190 63.200 0.400 0.000 1.053 132 S HN 1.597 nan 8.310 nan 0.000 0.482 133 A N 1.510 124.302 122.820 -0.046 0.000 2.515 133 A HA 1.032 5.389 4.320 0.063 0.000 0.296 133 A C -0.959 176.424 177.584 -0.334 0.000 1.094 133 A CA -0.664 51.123 52.037 -0.417 0.000 0.718 133 A CB 1.623 20.220 19.000 -0.672 0.000 1.307 133 A HN 1.341 nan 8.150 nan 0.000 0.408 134 A N 0.457 122.911 122.820 -0.609 0.000 2.609 134 A HA 0.735 5.093 4.320 0.063 0.000 0.291 134 A C -1.061 176.312 177.584 -0.351 0.000 1.096 134 A CA -0.651 51.197 52.037 -0.315 0.000 0.684 134 A CB 0.735 19.648 19.000 -0.146 0.000 1.282 134 A HN 0.882 nan 8.150 nan 0.000 0.412 135 H N -0.472 118.620 119.070 0.038 0.000 2.495 135 H HA 0.703 5.297 4.556 0.063 0.000 0.350 135 H C 0.635 175.959 175.328 -0.007 0.000 1.202 135 H CA 0.878 57.001 56.048 0.125 0.000 1.322 135 H CB 1.809 31.644 29.762 0.122 0.000 1.544 135 H HN 1.183 nan 8.280 nan 0.000 0.565 136 G N 0.201 109.103 108.800 0.170 0.000 2.435 136 G HA2 0.337 4.334 3.960 0.063 0.000 0.296 136 G HA3 0.337 4.334 3.960 0.063 0.000 0.296 136 G C -2.099 172.924 174.900 0.206 0.000 1.240 136 G CA -0.621 44.532 45.100 0.087 0.000 0.872 136 G HN 0.630 nan 8.290 nan 0.000 0.480 137 Y N -1.719 118.617 120.300 0.061 0.000 2.597 137 Y HA 0.850 5.437 4.550 0.062 0.000 0.340 137 Y C -1.702 174.338 175.900 0.233 0.000 1.097 137 Y CA -1.986 56.198 58.100 0.140 0.000 1.037 137 Y CB 1.913 40.426 38.460 0.088 0.000 1.305 137 Y HN 0.862 nan 8.280 nan 0.000 0.463 138 F N 2.903 123.011 119.950 0.263 0.000 2.576 138 F HA 0.679 5.244 4.527 0.064 0.000 0.313 138 F C -1.468 174.535 175.800 0.338 0.000 1.078 138 F CA -0.570 57.587 58.000 0.262 0.000 0.921 138 F CB 2.241 41.508 39.000 0.446 0.000 1.232 138 F HN 0.803 nan 8.300 nan 0.000 0.459 139 Q N 5.408 124.684 119.800 -0.873 0.000 2.340 139 Q HA 0.585 4.963 4.340 0.063 0.000 0.276 139 Q C -3.337 172.022 176.000 -1.069 0.000 1.048 139 Q CA -2.253 53.141 55.803 -0.681 0.000 0.832 139 Q CB 2.884 31.534 28.738 -0.146 0.000 1.373 139 Q HN 0.328 nan 8.270 nan 0.000 0.409 140 P HA 0.099 nan 4.420 nan 0.000 0.279 140 P C -0.411 176.743 177.300 -0.242 0.000 1.252 140 P CA -0.248 62.596 63.100 -0.428 0.000 0.811 140 P CB 0.801 32.420 31.700 -0.135 0.000 1.035 141 Y N 0.586 120.822 120.300 -0.106 0.000 2.286 141 Y HA -0.052 4.536 4.550 0.064 0.000 0.293 141 Y C 1.493 177.363 175.900 -0.050 0.000 1.124 141 Y CA 0.594 58.654 58.100 -0.067 0.000 1.178 141 Y CB 0.255 38.684 38.460 -0.052 0.000 1.010 141 Y HN 0.349 nan 8.280 nan 0.000 0.536 142 K N -0.924 119.535 120.400 0.098 0.000 2.533 142 K HA 0.415 4.773 4.320 0.063 0.000 0.272 142 K C -0.842 175.759 176.600 0.002 0.000 0.985 142 K CA -0.949 55.364 56.287 0.042 0.000 0.876 142 K CB 1.708 34.233 32.500 0.041 0.000 1.452 142 K HN -0.242 nan 8.250 nan 0.000 0.439 143 S N 0.946 116.645 115.700 -0.003 0.000 2.549 143 S HA 0.106 4.613 4.470 0.063 0.000 0.286 143 S C 0.474 175.060 174.600 -0.024 0.000 1.314 143 S CA -0.555 57.633 58.200 -0.019 0.000 1.062 143 S CB -0.135 63.059 63.200 -0.011 0.000 0.865 143 S HN 0.567 nan 8.310 nan 0.000 0.498 144 L N 4.629 125.825 121.223 -0.044 0.000 2.791 144 L HA 0.127 4.505 4.340 0.063 0.000 0.239 144 L C 1.979 178.830 176.870 -0.032 0.000 1.203 144 L CA -0.012 54.808 54.840 -0.033 0.000 1.002 144 L CB -0.243 41.793 42.059 -0.038 0.000 1.295 144 L HN 0.854 nan 8.230 nan 0.000 0.504 145 S N -1.999 113.682 115.700 -0.032 0.000 2.442 145 S HA -0.169 4.339 4.470 0.063 0.000 0.236 145 S C 1.272 175.855 174.600 -0.029 0.000 1.007 145 S CA 0.908 59.088 58.200 -0.034 0.000 0.965 145 S CB -0.128 63.056 63.200 -0.026 0.000 0.773 145 S HN 0.374 nan 8.310 nan 0.000 0.504 146 D N 2.086 122.473 120.400 -0.021 0.000 2.219 146 D HA 0.003 4.681 4.640 0.063 0.000 0.205 146 D C 1.769 178.053 176.300 -0.027 0.000 0.970 146 D CA 1.373 55.361 54.000 -0.019 0.000 0.851 146 D CB -0.173 40.621 40.800 -0.010 0.000 0.943 146 D HN 0.807 nan 8.370 nan 0.000 0.488 147 I N -4.328 116.227 120.570 -0.025 0.000 4.323 147 I HA 0.230 4.438 4.170 0.063 0.000 0.328 147 I C 0.423 176.502 176.117 -0.063 0.000 1.310 147 I CA -0.028 61.251 61.300 -0.036 0.000 1.186 147 I CB 1.151 39.151 38.000 -0.001 0.000 1.130 147 I HN -0.250 nan 8.210 nan 0.000 0.411 148 T N 1.529 116.048 114.554 -0.059 0.000 2.982 148 T HA 0.308 4.696 4.350 0.063 0.000 0.321 148 T C -0.050 174.599 174.700 -0.086 0.000 1.229 148 T CA -0.692 61.355 62.100 -0.089 0.000 1.044 148 T CB 1.775 70.583 68.868 -0.099 0.000 1.184 148 T HN 0.423 nan 8.240 nan 0.000 0.477 149 K N 2.473 122.820 120.400 -0.088 0.000 2.458 149 K HA 0.563 4.920 4.320 0.063 0.000 0.194 149 K C 0.744 177.306 176.600 -0.064 0.000 1.024 149 K CA -0.293 55.953 56.287 -0.067 0.000 1.108 149 K CB 0.213 32.679 32.500 -0.057 0.000 0.846 149 K HN 0.498 nan 8.250 nan 0.000 0.518 150 A N 2.085 124.843 122.820 -0.102 0.000 2.524 150 A HA -0.047 4.310 4.320 0.063 0.000 0.250 150 A C 0.532 178.070 177.584 -0.076 0.000 1.078 150 A CA 0.052 52.037 52.037 -0.087 0.000 0.761 150 A CB 0.157 19.042 19.000 -0.192 0.000 1.012 150 A HN 0.460 nan 8.150 nan 0.000 0.500 151 D N 1.989 122.424 120.400 0.058 0.000 2.144 151 D HA -0.209 4.468 4.640 0.063 0.000 0.199 151 D C 1.353 177.722 176.300 0.115 0.000 0.984 151 D CA 2.145 56.195 54.000 0.082 0.000 0.834 151 D CB -0.234 40.639 40.800 0.122 0.000 0.955 151 D HN 0.721 nan 8.370 nan 0.000 0.465 152 F N -0.629 119.344 119.950 0.038 0.000 2.546 152 F HA 0.152 4.717 4.527 0.064 0.000 0.298 152 F C 1.105 177.002 175.800 0.162 0.000 1.120 152 F CA 0.397 58.464 58.000 0.111 0.000 1.456 152 F CB -0.239 38.823 39.000 0.103 0.000 1.088 152 F HN -0.063 nan 8.300 nan 0.000 0.572 153 L N 0.818 121.721 121.223 -0.534 0.000 2.769 153 L HA 0.186 4.564 4.340 0.063 0.000 0.240 153 L C 1.867 178.641 176.870 -0.159 0.000 1.163 153 L CA 0.372 54.979 54.840 -0.388 0.000 0.962 153 L CB -0.116 41.599 42.059 -0.573 0.000 1.258 153 L HN 0.355 nan 8.230 nan 0.000 0.513 154 S N -2.732 112.919 115.700 -0.081 0.000 2.517 154 S HA 0.064 4.572 4.470 0.063 0.000 0.214 154 S C 0.400 174.994 174.600 -0.010 0.000 0.991 154 S CA -0.186 57.990 58.200 -0.039 0.000 0.906 154 S CB 0.287 63.477 63.200 -0.017 0.000 0.789 154 S HN 0.292 nan 8.310 nan 0.000 0.513 155 D N 1.015 121.419 120.400 0.007 0.000 2.764 155 D HA 0.342 5.019 4.640 0.063 0.000 0.227 155 D C -2.558 173.754 176.300 0.019 0.000 1.347 155 D CA -1.857 52.154 54.000 0.019 0.000 0.953 155 D CB 2.244 43.064 40.800 0.034 0.000 1.476 155 D HN -0.134 nan 8.370 nan 0.000 0.585 156 P HA -0.014 nan 4.420 nan 0.000 0.228 156 P C 0.364 177.675 177.300 0.019 0.000 1.151 156 P CA 0.604 63.710 63.100 0.009 0.000 0.770 156 P CB 0.448 32.165 31.700 0.028 0.000 0.786 157 N N -0.674 118.042 118.700 0.028 0.000 2.214 157 N HA 0.071 4.848 4.740 0.063 0.000 0.214 157 N C 0.302 175.837 175.510 0.042 0.000 1.132 157 N CA 0.065 53.134 53.050 0.031 0.000 0.856 157 N CB 0.703 39.205 38.487 0.025 0.000 1.020 157 N HN 0.197 nan 8.380 nan 0.000 0.509 158 K N 1.374 121.810 120.400 0.059 0.000 2.263 158 K HA 0.399 4.756 4.320 0.063 0.000 0.272 158 K C -0.335 176.345 176.600 0.133 0.000 1.033 158 K CA -0.391 55.949 56.287 0.089 0.000 0.884 158 K CB 1.459 34.019 32.500 0.101 0.000 1.107 158 K HN -0.036 nan 8.250 nan 0.000 0.460 159 I N 2.186 122.837 120.570 0.135 0.000 2.440 159 I HA 0.138 4.346 4.170 0.063 0.000 0.294 159 I C 0.178 176.458 176.117 0.273 0.000 0.995 159 I CA -0.182 61.238 61.300 0.199 0.000 1.306 159 I CB 1.798 39.862 38.000 0.107 0.000 1.407 159 I HN 0.409 nan 8.210 nan 0.000 0.501 160 T N 6.930 121.735 114.554 0.418 0.000 2.786 160 T HA 0.366 4.753 4.350 0.063 0.000 0.283 160 T C -2.486 172.477 174.700 0.439 0.000 0.992 160 T CA -1.336 61.036 62.100 0.453 0.000 0.954 160 T CB 1.626 70.878 68.868 0.641 0.000 0.934 160 T HN 0.229 nan 8.240 nan 0.000 0.440 161 P HA 0.294 nan 4.420 nan 0.000 0.272 161 P C -0.721 176.816 177.300 0.395 0.000 1.223 161 P CA -0.466 62.828 63.100 0.324 0.000 0.784 161 P CB 0.577 32.389 31.700 0.187 0.000 0.923 162 V N -0.422 119.669 119.914 0.295 0.000 3.040 162 V HA 0.728 4.886 4.120 0.063 0.000 0.312 162 V C -1.359 174.895 176.094 0.267 0.000 1.115 162 V CA -0.949 61.433 62.300 0.136 0.000 0.998 162 V CB 2.182 33.864 31.823 -0.235 0.000 1.042 162 V HN 0.321 nan 8.190 nan 0.000 0.433 163 F N 2.202 122.142 119.950 -0.016 0.000 2.518 163 F HA 0.850 5.414 4.527 0.062 0.000 0.323 163 F C -0.804 174.897 175.800 -0.166 0.000 1.129 163 F CA -0.719 57.208 58.000 -0.121 0.000 0.920 163 F CB 2.035 40.990 39.000 -0.074 0.000 1.160 163 F HN 0.536 nan 8.300 nan 0.000 0.440 164 V N 6.547 125.982 119.914 -0.798 0.000 2.604 164 V HA 0.576 4.734 4.120 0.063 0.000 0.305 164 V C -0.722 174.699 176.094 -1.122 0.000 1.043 164 V CA -0.834 60.936 62.300 -0.883 0.000 0.888 164 V CB 1.994 33.234 31.823 -0.971 0.000 0.995 164 V HN 0.740 nan 8.190 nan 0.000 0.429 165 R N 3.419 123.255 120.500 -1.107 0.000 2.480 165 R HA 0.639 5.016 4.340 0.063 0.000 0.306 165 R C -1.659 174.007 176.300 -1.056 0.000 0.958 165 R CA -0.431 55.105 56.100 -0.939 0.000 0.861 165 R CB 1.251 31.171 30.300 -0.633 0.000 1.171 165 R HN 0.551 nan 8.270 nan 0.000 0.445 166 F N 1.795 121.304 119.950 -0.734 0.000 2.432 166 F HA 0.539 5.104 4.527 0.064 0.000 0.329 166 F C 0.451 175.888 175.800 -0.605 0.000 1.076 166 F CA -0.266 57.195 58.000 -0.897 0.000 1.018 166 F CB 2.158 40.103 39.000 -1.758 0.000 1.201 166 F HN 0.585 nan 8.300 nan 0.000 0.489 167 S N -1.068 114.569 115.700 -0.106 0.000 2.615 167 S HA 0.682 5.189 4.470 0.063 0.000 0.269 167 S C -0.649 174.109 174.600 0.264 0.000 1.161 167 S CA -0.939 57.343 58.200 0.137 0.000 0.817 167 S CB 1.429 64.756 63.200 0.213 0.000 1.131 167 S HN 0.715 nan 8.310 nan 0.000 0.467 168 T N -1.657 113.038 114.554 0.235 0.000 2.888 168 T HA 0.703 5.090 4.350 0.063 0.000 0.283 168 T C 0.780 175.453 174.700 -0.045 0.000 1.013 168 T CA -0.332 61.864 62.100 0.159 0.000 0.938 168 T CB 0.586 69.546 68.868 0.154 0.000 1.298 168 T HN 0.533 nan 8.240 nan 0.000 0.580 169 V N 0.036 119.875 119.914 -0.126 0.000 2.743 169 V HA 0.095 4.252 4.120 0.063 0.000 0.237 169 V C 2.762 178.764 176.094 -0.152 0.000 1.113 169 V CA 0.494 62.573 62.300 -0.367 0.000 1.141 169 V CB -0.334 31.376 31.823 -0.188 0.000 0.873 169 V HN 0.888 nan 8.190 nan 0.000 0.486 170 Q N 0.934 120.689 119.800 -0.075 0.000 2.089 170 Q HA 0.081 4.458 4.340 0.063 0.000 0.195 170 Q C 1.266 177.238 176.000 -0.046 0.000 0.963 170 Q CA 1.294 57.052 55.803 -0.074 0.000 0.834 170 Q CB -0.113 28.564 28.738 -0.101 0.000 0.906 170 Q HN 0.580 nan 8.270 nan 0.000 0.452 171 G N -0.138 108.649 108.800 -0.021 0.000 2.572 171 G HA2 0.417 4.415 3.960 0.063 0.000 0.261 171 G HA3 0.417 4.415 3.960 0.063 0.000 0.261 171 G C 0.096 175.001 174.900 0.010 0.000 1.197 171 G CA 0.046 45.140 45.100 -0.010 0.000 0.870 171 G HN 0.328 nan 8.290 nan 0.000 0.548 172 G N -1.177 107.626 108.800 0.004 0.000 2.653 172 G HA2 0.473 4.471 3.960 0.063 0.000 0.265 172 G HA3 0.473 4.471 3.960 0.063 0.000 0.265 172 G C 1.332 176.261 174.900 0.048 0.000 1.237 172 G CA 0.434 45.547 45.100 0.022 0.000 0.946 172 G HN 1.066 nan 8.290 nan 0.000 0.522 173 A N -0.757 122.102 122.820 0.065 0.000 2.070 173 A HA 0.112 4.470 4.320 0.063 0.000 0.220 173 A C 2.232 179.856 177.584 0.067 0.000 1.159 173 A CA 2.005 54.100 52.037 0.096 0.000 0.656 173 A CB -0.393 18.682 19.000 0.126 0.000 0.800 173 A HN 1.102 nan 8.150 nan 0.000 0.453 174 G N -0.281 108.540 108.800 0.034 0.000 3.189 174 G HA2 0.322 4.320 3.960 0.063 0.000 0.225 174 G HA3 0.322 4.320 3.960 0.063 0.000 0.225 174 G C 0.734 175.637 174.900 0.005 0.000 1.159 174 G CA 0.661 45.767 45.100 0.009 0.000 0.763 174 G HN 0.655 nan 8.290 nan 0.000 0.549 175 S N -0.123 115.587 115.700 0.017 0.000 2.661 175 S HA 0.729 5.236 4.470 0.063 0.000 0.265 175 S C 0.522 175.136 174.600 0.024 0.000 1.225 175 S CA -0.087 58.119 58.200 0.011 0.000 0.986 175 S CB 1.473 64.681 63.200 0.013 0.000 1.008 175 S HN 0.539 nan 8.310 nan 0.000 0.565 176 A N 0.059 122.888 122.820 0.016 0.000 2.304 176 A HA 0.420 4.778 4.320 0.063 0.000 0.271 176 A C 0.594 178.201 177.584 0.038 0.000 1.091 176 A CA -0.526 51.518 52.037 0.012 0.000 0.812 176 A CB -0.104 18.884 19.000 -0.019 0.000 1.056 176 A HN 0.862 nan 8.150 nan 0.000 0.489 177 D N 0.153 120.564 120.400 0.019 0.000 2.162 177 D HA -0.040 4.638 4.640 0.063 0.000 0.205 177 D C 1.571 177.844 176.300 -0.044 0.000 0.964 177 D CA 2.182 56.204 54.000 0.038 0.000 0.847 177 D CB -0.129 40.657 40.800 -0.023 0.000 0.988 177 D HN 0.666 nan 8.370 nan 0.000 0.480 178 T N -0.128 114.326 114.554 -0.166 0.000 3.284 178 T HA 0.305 4.692 4.350 0.063 0.000 0.249 178 T C 0.809 175.492 174.700 -0.029 0.000 0.944 178 T CA -0.583 61.409 62.100 -0.180 0.000 0.919 178 T CB -0.885 67.796 68.868 -0.311 0.000 1.089 178 T HN -0.092 nan 8.240 nan 0.000 0.576 179 V N -1.170 118.779 119.914 0.058 0.000 3.319 179 V HA 0.431 4.589 4.120 0.063 0.000 0.303 179 V C 0.729 176.966 176.094 0.238 0.000 1.094 179 V CA -1.396 60.993 62.300 0.148 0.000 1.106 179 V CB 0.335 32.231 31.823 0.122 0.000 1.099 179 V HN 0.574 nan 8.190 nan 0.000 0.476 180 R N 1.559 122.254 120.500 0.325 0.000 2.248 180 R HA 0.455 4.833 4.340 0.063 0.000 0.328 180 R C -0.944 175.433 176.300 0.127 0.000 1.067 180 R CA -0.041 56.195 56.100 0.226 0.000 0.924 180 R CB 0.101 30.455 30.300 0.090 0.000 1.013 180 R HN 1.052 nan 8.270 nan 0.000 0.454 181 D N 3.302 123.790 120.400 0.145 0.000 2.710 181 D HA 0.189 4.867 4.640 0.063 0.000 0.276 181 D C -0.610 175.798 176.300 0.181 0.000 1.267 181 D CA -0.609 53.467 54.000 0.125 0.000 0.772 181 D CB 1.236 42.103 40.800 0.110 0.000 1.299 181 D HN 0.226 nan 8.370 nan 0.000 0.421 182 I N 1.413 122.106 120.570 0.205 0.000 2.779 182 I HA 0.213 4.421 4.170 0.063 0.000 0.285 182 I C 0.815 177.075 176.117 0.239 0.000 1.134 182 I CA -0.024 61.413 61.300 0.228 0.000 1.398 182 I CB 0.042 38.205 38.000 0.272 0.000 1.404 182 I HN 0.228 nan 8.210 nan 0.000 0.587 183 R N 2.969 123.636 120.500 0.277 0.000 2.589 183 R HA 0.554 4.931 4.340 0.063 0.000 0.293 183 R C -0.045 176.461 176.300 0.345 0.000 0.963 183 R CA -0.780 55.506 56.100 0.311 0.000 0.905 183 R CB 1.432 31.937 30.300 0.342 0.000 1.144 183 R HN 0.797 nan 8.270 nan 0.000 0.459 184 G N 0.940 109.962 108.800 0.371 0.000 2.448 184 G HA2 0.460 4.458 3.960 0.063 0.000 0.285 184 G HA3 0.460 4.458 3.960 0.063 0.000 0.285 184 G C -1.237 173.743 174.900 0.134 0.000 1.176 184 G CA -0.048 45.220 45.100 0.280 0.000 0.852 184 G HN 0.362 nan 8.290 nan 0.000 0.530 185 F N 1.849 121.694 119.950 -0.174 0.000 3.090 185 F HA 0.627 5.191 4.527 0.062 0.000 0.381 185 F C -0.219 175.280 175.800 -0.503 0.000 1.231 185 F CA -1.761 56.035 58.000 -0.341 0.000 1.177 185 F CB 0.998 39.918 39.000 -0.132 0.000 1.598 185 F HN 0.669 nan 8.300 nan 0.000 0.589 186 A N 3.291 125.839 122.820 -0.453 0.000 2.318 186 A HA 0.801 5.158 4.320 0.063 0.000 0.324 186 A C -0.614 176.532 177.584 -0.730 0.000 1.170 186 A CA -0.447 51.166 52.037 -0.706 0.000 0.810 186 A CB 0.888 19.096 19.000 -1.321 0.000 1.198 186 A HN 0.522 nan 8.150 nan 0.000 0.484 187 T N 2.227 116.534 114.554 -0.411 0.000 2.812 187 T HA 0.404 4.791 4.350 0.063 0.000 0.282 187 T C -0.375 174.158 174.700 -0.279 0.000 0.990 187 T CA -0.489 61.373 62.100 -0.396 0.000 0.960 187 T CB 1.153 69.708 68.868 -0.522 0.000 0.948 187 T HN 0.637 nan 8.240 nan 0.000 0.438 188 K N 3.341 123.628 120.400 -0.188 0.000 2.263 188 K HA 0.476 4.834 4.320 0.063 0.000 0.272 188 K C -1.314 174.950 176.600 -0.560 0.000 1.033 188 K CA -0.587 55.482 56.287 -0.364 0.000 0.884 188 K CB 0.380 32.590 32.500 -0.484 0.000 1.107 188 K HN 0.386 nan 8.250 nan 0.000 0.460 189 F N 4.148 123.796 119.950 -0.502 0.000 2.404 189 F HA 0.257 4.821 4.527 0.061 0.000 0.354 189 F C -0.476 175.116 175.800 -0.347 0.000 1.122 189 F CA -0.596 57.188 58.000 -0.361 0.000 1.080 189 F CB 0.799 39.492 39.000 -0.512 0.000 1.131 189 F HN 0.430 nan 8.300 nan 0.000 0.471 190 Y N 1.830 122.190 120.300 0.099 0.000 2.751 190 Y HA 0.251 4.839 4.550 0.063 0.000 0.333 190 Y C 0.971 176.928 175.900 0.096 0.000 1.122 190 Y CA -0.859 57.279 58.100 0.062 0.000 1.367 190 Y CB 0.107 38.593 38.460 0.043 0.000 1.242 190 Y HN 0.579 nan 8.280 nan 0.000 0.505 191 T N -2.284 112.370 114.554 0.168 0.000 2.847 191 T HA 0.177 4.565 4.350 0.063 0.000 0.279 191 T C 0.976 175.773 174.700 0.161 0.000 0.984 191 T CA -0.686 61.518 62.100 0.173 0.000 0.988 191 T CB 1.069 70.013 68.868 0.126 0.000 1.040 191 T HN 0.645 nan 8.240 nan 0.000 0.528 192 E N -0.067 120.232 120.200 0.165 0.000 2.427 192 E HA -0.020 4.367 4.350 0.063 0.000 0.196 192 E C 0.940 177.609 176.600 0.114 0.000 1.028 192 E CA 0.613 57.091 56.400 0.130 0.000 0.864 192 E CB 0.144 29.917 29.700 0.121 0.000 0.813 192 E HN 0.728 nan 8.360 nan 0.000 0.514 193 E N 0.244 120.515 120.200 0.117 0.000 2.651 193 E HA 0.267 4.655 4.350 0.063 0.000 0.208 193 E C 0.099 176.750 176.600 0.086 0.000 0.997 193 E CA -0.280 56.182 56.400 0.102 0.000 1.020 193 E CB 1.337 31.102 29.700 0.107 0.000 1.052 193 E HN 0.172 nan 8.360 nan 0.000 0.465 194 G N 1.093 109.937 108.800 0.074 0.000 2.357 194 G HA2 -0.089 3.909 3.960 0.063 0.000 0.643 194 G HA3 -0.089 3.909 3.960 0.063 0.000 0.643 194 G C -0.886 174.021 174.900 0.011 0.000 1.358 194 G CA -1.136 43.983 45.100 0.032 0.000 0.986 194 G HN 0.084 nan 8.290 nan 0.000 0.620 195 I N 0.891 121.429 120.570 -0.053 0.000 2.452 195 I HA 0.322 4.529 4.170 0.063 0.000 0.287 195 I C 0.023 176.135 176.117 -0.009 0.000 1.079 195 I CA -0.126 61.111 61.300 -0.105 0.000 1.387 195 I CB 0.656 38.522 38.000 -0.223 0.000 1.404 195 I HN 0.429 nan 8.210 nan 0.000 0.522 196 F N 7.142 126.970 119.950 -0.204 0.000 2.427 196 F HA 0.430 4.993 4.527 0.060 0.000 0.346 196 F C -0.557 175.194 175.800 -0.081 0.000 1.120 196 F CA -1.189 56.686 58.000 -0.208 0.000 1.033 196 F CB 0.751 39.441 39.000 -0.517 0.000 1.126 196 F HN 0.337 nan 8.300 nan 0.000 0.462 197 D N 6.845 127.004 120.400 -0.402 0.000 2.303 197 D HA 0.268 4.945 4.640 0.063 0.000 0.236 197 D C -0.754 175.046 176.300 -0.833 0.000 1.068 197 D CA -0.040 53.685 54.000 -0.459 0.000 0.830 197 D CB 2.354 43.087 40.800 -0.111 0.000 1.109 197 D HN 0.626 nan 8.370 nan 0.000 0.496 198 L N 2.986 123.718 121.223 -0.818 0.000 2.283 198 L HA 0.325 4.703 4.340 0.063 0.000 0.281 198 L C -1.110 175.544 176.870 -0.359 0.000 1.033 198 L CA -0.644 53.786 54.840 -0.683 0.000 0.848 198 L CB 0.765 42.450 42.059 -0.623 0.000 1.226 198 L HN 0.055 nan 8.230 nan 0.000 0.429 199 V N 5.415 125.153 119.914 -0.294 0.000 2.259 199 V HA 0.526 4.684 4.120 0.063 0.000 0.267 199 V C 0.757 176.748 176.094 -0.171 0.000 1.051 199 V CA -0.312 61.824 62.300 -0.273 0.000 0.830 199 V CB 0.597 32.215 31.823 -0.342 0.000 1.080 199 V HN 0.823 nan 8.190 nan 0.000 0.467 200 G N 3.090 111.806 108.800 -0.139 0.000 2.932 200 G HA2 0.672 4.670 3.960 0.063 0.000 0.283 200 G HA3 0.672 4.670 3.960 0.063 0.000 0.283 200 G C -0.896 174.025 174.900 0.035 0.000 1.336 200 G CA -0.585 44.487 45.100 -0.046 0.000 1.056 200 G HN 0.471 nan 8.290 nan 0.000 0.522 201 N N -1.066 117.706 118.700 0.119 0.000 2.966 201 N HA 0.256 5.033 4.740 0.063 0.000 0.314 201 N C 0.369 176.068 175.510 0.315 0.000 1.397 201 N CA -0.768 52.419 53.050 0.228 0.000 0.776 201 N CB 1.311 39.926 38.487 0.213 0.000 1.576 201 N HN 0.525 nan 8.380 nan 0.000 0.592 202 N N -1.269 117.636 118.700 0.341 0.000 2.314 202 N HA 0.006 4.784 4.740 0.063 0.000 0.200 202 N C -0.575 175.203 175.510 0.446 0.000 1.135 202 N CA -0.110 53.198 53.050 0.430 0.000 0.835 202 N CB -0.220 38.497 38.487 0.383 0.000 0.989 202 N HN 0.542 nan 8.380 nan 0.000 0.478 203 T N -3.819 110.813 114.554 0.130 0.000 2.906 203 T HA 0.462 4.850 4.350 0.063 0.000 0.295 203 T C -2.697 171.368 174.700 -1.059 0.000 1.075 203 T CA -1.564 60.163 62.100 -0.621 0.000 1.005 203 T CB 2.892 71.295 68.868 -0.776 0.000 1.136 203 T HN -0.233 nan 8.240 nan 0.000 0.498 204 P HA 0.229 nan 4.420 nan 0.000 0.253 204 P C 0.245 177.025 177.300 -0.868 0.000 1.260 204 P CA 0.001 62.168 63.100 -1.555 0.000 0.800 204 P CB -0.114 30.610 31.700 -1.626 0.000 1.162 205 I N -4.566 115.478 120.570 -0.876 0.000 3.191 205 I HA 0.540 4.748 4.170 0.063 0.000 0.313 205 I C -1.476 174.372 176.117 -0.448 0.000 1.193 205 I CA -1.832 59.097 61.300 -0.619 0.000 0.968 205 I CB 1.640 39.206 38.000 -0.723 0.000 1.262 205 I HN -0.246 nan 8.210 nan 0.000 0.456 206 F N 0.709 120.373 119.950 -0.477 0.000 2.631 206 F HA 0.517 5.083 4.527 0.065 0.000 0.350 206 F C 0.347 175.900 175.800 -0.411 0.000 1.080 206 F CA -0.719 57.033 58.000 -0.413 0.000 1.026 206 F CB 1.894 40.779 39.000 -0.193 0.000 1.347 206 F HN 0.391 nan 8.300 nan 0.000 0.501 207 F N 1.796 121.003 119.950 -1.238 0.000 2.367 207 F HA 0.116 4.680 4.527 0.062 0.000 0.298 207 F C 0.533 176.038 175.800 -0.493 0.000 1.094 207 F CA 0.606 58.049 58.000 -0.928 0.000 1.409 207 F CB 0.053 38.050 39.000 -1.671 0.000 1.064 207 F HN 0.116 nan 8.300 nan 0.000 0.528 208 I N -3.570 116.980 120.570 -0.032 0.000 3.042 208 I HA 0.375 4.583 4.170 0.063 0.000 0.310 208 I C 0.316 176.573 176.117 0.234 0.000 1.117 208 I CA -0.828 60.557 61.300 0.141 0.000 1.003 208 I CB 1.913 40.045 38.000 0.220 0.000 1.228 208 I HN -0.186 nan 8.210 nan 0.000 0.443 209 Q N 0.376 120.316 119.800 0.233 0.000 2.259 209 Q HA 0.141 4.519 4.340 0.063 0.000 0.201 209 Q C -0.326 175.844 176.000 0.283 0.000 0.938 209 Q CA 0.668 56.648 55.803 0.296 0.000 0.872 209 Q CB 0.515 29.494 28.738 0.401 0.000 0.971 209 Q HN 0.659 nan 8.270 nan 0.000 0.494 210 D N -1.236 119.304 120.400 0.233 0.000 2.649 210 D HA 0.294 4.972 4.640 0.063 0.000 0.249 210 D C -0.040 176.379 176.300 0.199 0.000 1.112 210 D CA -0.227 53.881 54.000 0.180 0.000 0.850 210 D CB 1.839 42.720 40.800 0.135 0.000 1.399 210 D HN 0.041 nan 8.370 nan 0.000 0.503 211 A N 3.256 126.163 122.820 0.146 0.000 2.084 211 A HA -0.244 4.113 4.320 0.063 0.000 0.221 211 A C 1.740 179.434 177.584 0.184 0.000 1.161 211 A CA 1.651 53.770 52.037 0.136 0.000 0.653 211 A CB -0.754 18.272 19.000 0.043 0.000 0.802 211 A HN 0.791 nan 8.150 nan 0.000 0.457 212 H N -0.002 119.124 119.070 0.093 0.000 2.489 212 H HA 0.015 4.607 4.556 0.060 0.000 0.293 212 H C 1.539 176.943 175.328 0.126 0.000 1.066 212 H CA 1.751 57.848 56.048 0.082 0.000 1.305 212 H CB 0.079 29.868 29.762 0.045 0.000 1.386 212 H HN 0.415 nan 8.280 nan 0.000 0.551 213 K N -0.652 119.878 120.400 0.216 0.000 2.404 213 K HA -0.032 4.326 4.320 0.063 0.000 0.194 213 K C 1.331 178.074 176.600 0.238 0.000 1.023 213 K CA -0.047 56.371 56.287 0.217 0.000 1.094 213 K CB 0.101 32.781 32.500 0.301 0.000 0.841 213 K HN 0.292 nan 8.250 nan 0.000 0.523 214 F N 2.963 122.969 119.950 0.092 0.000 2.102 214 F HA -0.130 4.435 4.527 0.063 0.000 0.298 214 F C -1.004 174.811 175.800 0.026 0.000 1.105 214 F CA 1.258 59.337 58.000 0.133 0.000 1.239 214 F CB -0.375 38.694 39.000 0.115 0.000 0.991 214 F HN 0.009 nan 8.300 nan 0.000 0.474 215 P HA -0.129 nan 4.420 nan 0.000 0.217 215 P C 1.024 178.020 177.300 -0.506 0.000 1.150 215 P CA 1.681 64.559 63.100 -0.371 0.000 0.832 215 P CB -0.071 31.417 31.700 -0.353 0.000 0.787 216 D N -1.111 119.138 120.400 -0.252 0.000 2.097 216 D HA -0.179 4.499 4.640 0.063 0.000 0.195 216 D C 1.815 177.864 176.300 -0.419 0.000 0.989 216 D CA 1.117 55.013 54.000 -0.173 0.000 0.827 216 D CB -0.856 40.011 40.800 0.111 0.000 0.966 216 D HN 0.163 nan 8.370 nan 0.000 0.456 217 F N 1.839 121.399 119.950 -0.650 0.000 2.102 217 F HA -0.222 4.342 4.527 0.061 0.000 0.298 217 F C 2.278 177.705 175.800 -0.623 0.000 1.105 217 F CA 1.093 58.504 58.000 -0.982 0.000 1.239 217 F CB -0.209 38.411 39.000 -0.633 0.000 0.991 217 F HN -0.249 nan 8.300 nan 0.000 0.474 218 V N 0.408 119.918 119.914 -0.673 0.000 2.295 218 V HA -0.360 3.798 4.120 0.063 0.000 0.246 218 V C 2.310 178.195 176.094 -0.349 0.000 1.049 218 V CA 2.519 64.468 62.300 -0.585 0.000 1.024 218 V CB -1.084 30.413 31.823 -0.544 0.000 0.648 218 V HN 0.480 nan 8.190 nan 0.000 0.447 219 H N -0.359 118.494 119.070 -0.362 0.000 2.387 219 H HA -0.117 4.477 4.556 0.062 0.000 0.299 219 H C 2.321 177.510 175.328 -0.233 0.000 1.090 219 H CA 1.033 56.948 56.048 -0.222 0.000 1.332 219 H CB 0.023 29.704 29.762 -0.135 0.000 1.386 219 H HN 0.486 nan 8.280 nan 0.000 0.516 220 A N 0.420 123.091 122.820 -0.247 0.000 1.969 220 A HA -0.102 4.255 4.320 0.063 0.000 0.218 220 A C 2.453 179.903 177.584 -0.224 0.000 1.169 220 A CA 1.292 53.183 52.037 -0.243 0.000 0.635 220 A CB -0.595 18.157 19.000 -0.413 0.000 0.810 220 A HN 0.306 nan 8.150 nan 0.000 0.445 221 V N -0.398 119.247 119.914 -0.449 0.000 3.052 221 V HA 0.027 4.185 4.120 0.063 0.000 0.254 221 V C 0.836 176.884 176.094 -0.077 0.000 1.100 221 V CA 0.696 62.792 62.300 -0.340 0.000 1.112 221 V CB -0.460 30.955 31.823 -0.681 0.000 0.738 221 V HN 0.319 nan 8.190 nan 0.000 0.469 222 K N 1.033 121.370 120.400 -0.105 0.000 2.149 222 K HA 0.273 4.631 4.320 0.063 0.000 0.245 222 K C -2.338 174.221 176.600 -0.068 0.000 1.024 222 K CA -1.775 54.463 56.287 -0.082 0.000 0.899 222 K CB -0.070 32.375 32.500 -0.092 0.000 1.038 222 K HN 0.135 nan 8.250 nan 0.000 0.496 223 P HA -0.015 nan 4.420 nan 0.000 0.266 223 P C -0.566 176.680 177.300 -0.091 0.000 1.195 223 P CA 0.379 63.349 63.100 -0.216 0.000 0.768 223 P CB 0.378 31.956 31.700 -0.202 0.000 0.838 224 E N 5.018 125.204 120.200 -0.024 0.000 2.398 224 E HA 0.008 4.395 4.350 0.063 0.000 0.263 224 E C -1.293 175.379 176.600 0.120 0.000 1.046 224 E CA -1.328 55.161 56.400 0.147 0.000 0.908 224 E CB 0.138 30.040 29.700 0.337 0.000 0.963 224 E HN 0.423 nan 8.360 nan 0.000 0.431 225 P HA -0.179 nan 4.420 nan 0.000 0.225 225 P C 0.911 178.285 177.300 0.122 0.000 1.156 225 P CA 1.269 64.410 63.100 0.068 0.000 0.787 225 P CB 0.087 31.803 31.700 0.028 0.000 0.802 226 H N -0.842 118.269 119.070 0.068 0.000 2.333 226 H HA -0.059 4.535 4.556 0.062 0.000 0.302 226 H C 1.463 176.895 175.328 0.172 0.000 1.075 226 H CA 1.334 57.410 56.048 0.047 0.000 1.348 226 H CB -1.274 28.442 29.762 -0.077 0.000 1.393 226 H HN 0.292 nan 8.280 nan 0.000 0.509 227 W N 0.021 120.989 121.300 -0.553 0.000 2.870 227 W HA 0.698 5.395 4.660 0.062 0.000 0.358 227 W C 0.458 176.819 176.519 -0.263 0.000 1.043 227 W CA -1.081 56.051 57.345 -0.356 0.000 1.692 227 W CB -0.709 28.525 29.460 -0.376 0.000 1.100 227 W HN 0.419 nan 8.180 nan 0.000 0.557 228 A N 1.364 124.166 122.820 -0.029 0.000 2.667 228 A HA -0.133 4.225 4.320 0.063 0.000 0.298 228 A C -0.448 176.909 177.584 -0.379 0.000 1.483 228 A CA 1.402 53.342 52.037 -0.161 0.000 0.738 228 A CB -2.376 16.555 19.000 -0.114 0.000 1.067 228 A HN 0.471 nan 8.150 nan 0.000 0.451 229 I N 0.784 120.985 120.570 -0.616 0.000 2.686 229 I HA 0.551 4.758 4.170 0.063 0.000 0.295 229 I C -2.556 173.237 176.117 -0.539 0.000 1.114 229 I CA -2.224 58.610 61.300 -0.778 0.000 1.038 229 I CB 3.148 40.151 38.000 -1.661 0.000 1.238 229 I HN 0.239 nan 8.210 nan 0.000 0.420 230 P HA 0.338 nan 4.420 nan 0.000 0.295 230 P C -1.645 175.491 177.300 -0.273 0.000 1.319 230 P CA -0.868 62.007 63.100 -0.375 0.000 0.940 230 P CB 2.024 33.575 31.700 -0.247 0.000 1.192 231 Q N 0.890 120.575 119.800 -0.193 0.000 2.261 231 Q HA 0.494 4.871 4.340 0.063 0.000 0.252 231 Q C 1.105 177.063 176.000 -0.070 0.000 0.915 231 Q CA 1.084 56.811 55.803 -0.128 0.000 0.915 231 Q CB -0.196 28.479 28.738 -0.105 0.000 1.204 231 Q HN 0.821 nan 8.270 nan 0.000 0.421 232 G N 3.019 111.788 108.800 -0.051 0.000 2.198 232 G HA2 -0.280 3.718 3.960 0.063 0.000 0.260 232 G HA3 -0.280 3.718 3.960 0.063 0.000 0.260 232 G C -0.393 174.517 174.900 0.016 0.000 1.025 232 G CA 0.525 45.621 45.100 -0.008 0.000 0.769 232 G HN 0.535 nan 8.290 nan 0.000 0.507 233 Q N -1.135 118.658 119.800 -0.011 0.000 2.309 233 Q HA 0.545 4.923 4.340 0.063 0.000 0.273 233 Q C 0.645 176.648 176.000 0.005 0.000 1.040 233 Q CA -0.126 55.702 55.803 0.041 0.000 0.834 233 Q CB 1.795 30.596 28.738 0.105 0.000 1.345 233 Q HN 0.465 nan 8.270 nan 0.000 0.414 234 S N -0.688 114.924 115.700 -0.146 0.000 2.556 234 S HA 0.248 4.756 4.470 0.063 0.000 0.216 234 S C 0.786 175.335 174.600 -0.084 0.000 0.970 234 S CA -0.096 57.787 58.200 -0.527 0.000 0.912 234 S CB 0.422 62.751 63.200 -1.452 0.000 0.790 234 S HN 0.585 nan 8.310 nan 0.000 0.504 235 A N 2.421 125.387 122.820 0.242 0.000 3.037 235 A HA 0.552 4.909 4.320 0.063 0.000 0.272 235 A C 0.084 177.920 177.584 0.420 0.000 1.723 235 A CA -0.537 51.725 52.037 0.376 0.000 1.413 235 A CB -1.205 17.945 19.000 0.250 0.000 1.112 235 A HN 0.900 nan 8.150 nan 0.000 0.606 236 H N -3.114 116.169 119.070 0.355 0.000 2.987 236 H HA 0.441 5.035 4.556 0.062 0.000 0.316 236 H C -0.325 175.211 175.328 0.347 0.000 1.380 236 H CA -0.718 55.492 56.048 0.271 0.000 1.160 236 H CB 0.176 30.051 29.762 0.187 0.000 1.865 236 H HN 0.089 nan 8.280 nan 0.000 0.521 237 D N 0.297 120.891 120.400 0.323 0.000 2.092 237 D HA -0.196 4.482 4.640 0.063 0.000 0.193 237 D C 2.133 178.510 176.300 0.129 0.000 0.994 237 D CA 3.218 57.337 54.000 0.199 0.000 0.828 237 D CB -0.407 40.485 40.800 0.153 0.000 0.963 237 D HN 0.782 nan 8.370 nan 0.000 0.450 238 T N -1.540 113.092 114.554 0.130 0.000 2.833 238 T HA -0.201 4.187 4.350 0.063 0.000 0.269 238 T C 1.893 176.543 174.700 -0.083 0.000 1.054 238 T CA 0.697 62.832 62.100 0.058 0.000 1.135 238 T CB -0.667 68.280 68.868 0.132 0.000 0.869 238 T HN 0.157 nan 8.240 nan 0.000 0.466 239 F N 0.536 120.184 119.950 -0.504 0.000 2.146 239 F HA 0.140 4.704 4.527 0.062 0.000 0.298 239 F C 1.760 177.285 175.800 -0.458 0.000 1.096 239 F CA 0.368 57.990 58.000 -0.629 0.000 1.275 239 F CB -0.496 37.919 39.000 -0.976 0.000 1.008 239 F HN 0.142 nan 8.300 nan 0.000 0.480 240 W N 0.540 121.746 121.300 -0.157 0.000 2.476 240 W HA -0.046 4.653 4.660 0.065 0.000 0.281 240 W C 2.304 178.731 176.519 -0.153 0.000 1.230 240 W CA 0.991 58.235 57.345 -0.167 0.000 1.287 240 W CB -0.629 28.826 29.460 -0.008 0.000 1.108 240 W HN 0.033 nan 8.180 nan 0.000 0.567 241 D N -0.459 119.979 120.400 0.064 0.000 2.092 241 D HA -0.312 4.366 4.640 0.063 0.000 0.193 241 D C 1.896 178.185 176.300 -0.017 0.000 0.994 241 D CA 1.598 55.618 54.000 0.033 0.000 0.828 241 D CB -0.560 40.273 40.800 0.056 0.000 0.963 241 D HN 0.163 nan 8.370 nan 0.000 0.450 242 Y N 0.337 120.527 120.300 -0.184 0.000 2.128 242 Y HA -0.198 4.390 4.550 0.063 0.000 0.284 242 Y C 2.273 178.029 175.900 -0.241 0.000 1.154 242 Y CA 1.426 59.403 58.100 -0.204 0.000 1.149 242 Y CB -0.418 37.885 38.460 -0.263 0.000 0.976 242 Y HN -0.091 nan 8.280 nan 0.000 0.505 243 V N -0.054 119.722 119.914 -0.230 0.000 2.343 243 V HA -0.318 3.840 4.120 0.063 0.000 0.247 243 V C 2.577 178.613 176.094 -0.097 0.000 1.051 243 V CA 2.156 64.324 62.300 -0.220 0.000 1.036 243 V CB -1.135 30.435 31.823 -0.422 0.000 0.654 243 V HN 0.653 nan 8.190 nan 0.000 0.451 244 S N -0.172 115.511 115.700 -0.029 0.000 2.423 244 S HA -0.050 4.458 4.470 0.063 0.000 0.231 244 S C 1.694 176.260 174.600 -0.057 0.000 1.014 244 S CA 1.278 59.486 58.200 0.013 0.000 0.965 244 S CB -0.441 62.796 63.200 0.061 0.000 0.785 244 S HN 0.560 nan 8.310 nan 0.000 0.495 245 L N -0.019 121.123 121.223 -0.135 0.000 2.607 245 L HA 0.331 4.709 4.340 0.063 0.000 0.228 245 L C 0.548 177.247 176.870 -0.285 0.000 1.123 245 L CA 0.117 54.849 54.840 -0.180 0.000 0.890 245 L CB 0.016 41.970 42.059 -0.174 0.000 1.103 245 L HN 0.242 nan 8.230 nan 0.000 0.468 246 Q N 0.369 119.960 119.800 -0.348 0.000 3.244 246 Q HA 0.220 4.598 4.340 0.063 0.000 0.249 246 Q C -1.919 173.870 176.000 -0.352 0.000 0.951 246 Q CA -1.382 54.177 55.803 -0.406 0.000 0.740 246 Q CB 1.523 29.916 28.738 -0.574 0.000 1.334 246 Q HN -0.007 nan 8.270 nan 0.000 0.448 247 P HA -0.224 nan 4.420 nan 0.000 0.223 247 P C 0.911 177.907 177.300 -0.506 0.000 1.144 247 P CA 1.106 63.964 63.100 -0.403 0.000 0.783 247 P CB 0.258 31.701 31.700 -0.428 0.000 0.771 248 E N 0.791 120.550 120.200 -0.735 0.000 2.267 248 E HA -0.181 4.206 4.350 0.063 0.000 0.197 248 E C 1.474 178.027 176.600 -0.077 0.000 0.998 248 E CA 1.829 58.062 56.400 -0.279 0.000 0.830 248 E CB -1.279 28.333 29.700 -0.147 0.000 0.751 248 E HN 0.296 nan 8.360 nan 0.000 0.491 249 T N -0.747 113.767 114.554 -0.068 0.000 3.072 249 T HA 0.020 4.408 4.350 0.063 0.000 0.266 249 T C 1.905 176.674 174.700 0.115 0.000 1.127 249 T CA 0.382 62.511 62.100 0.050 0.000 1.107 249 T CB -0.291 68.632 68.868 0.092 0.000 0.910 249 T HN 0.155 nan 8.240 nan 0.000 0.513 250 L N -0.059 121.234 121.223 0.116 0.000 2.131 250 L HA -0.045 4.333 4.340 0.063 0.000 0.210 250 L C 2.814 179.856 176.870 0.287 0.000 1.092 250 L CA 1.613 56.594 54.840 0.234 0.000 0.759 250 L CB -0.715 41.493 42.059 0.249 0.000 0.903 250 L HN 0.481 nan 8.230 nan 0.000 0.435 251 H N 0.020 119.138 119.070 0.080 0.000 2.270 251 H HA -0.201 4.392 4.556 0.063 0.000 0.299 251 H C 2.161 177.492 175.328 0.006 0.000 1.077 251 H CA 1.788 57.880 56.048 0.074 0.000 1.294 251 H CB 0.235 29.999 29.762 0.004 0.000 1.371 251 H HN 0.345 nan 8.280 nan 0.000 0.491 252 N N -0.113 118.432 118.700 -0.258 0.000 2.309 252 N HA -0.124 4.653 4.740 0.063 0.000 0.182 252 N C 1.922 177.265 175.510 -0.280 0.000 1.018 252 N CA 0.689 53.353 53.050 -0.642 0.000 0.876 252 N CB 0.287 37.942 38.487 -1.386 0.000 0.972 252 N HN 0.127 nan 8.380 nan 0.000 0.434 253 V N 1.639 121.612 119.914 0.100 0.000 2.343 253 V HA -0.253 3.904 4.120 0.063 0.000 0.247 253 V C 2.500 178.732 176.094 0.230 0.000 1.051 253 V CA 1.242 63.736 62.300 0.323 0.000 1.036 253 V CB -0.365 31.703 31.823 0.409 0.000 0.654 253 V HN 0.402 nan 8.190 nan 0.000 0.451 254 M N -1.536 118.242 119.600 0.297 0.000 2.080 254 M HA -0.216 4.301 4.480 0.063 0.000 0.260 254 M C 2.064 178.363 176.300 -0.002 0.000 1.068 254 M CA 1.879 57.351 55.300 0.287 0.000 1.109 254 M CB -1.303 31.489 32.600 0.319 0.000 1.342 254 M HN 0.477 nan 8.290 nan 0.000 0.405 255 W N 0.430 121.460 121.300 -0.449 0.000 2.358 255 W HA -0.089 4.610 4.660 0.065 0.000 0.303 255 W C 2.785 179.234 176.519 -0.117 0.000 1.208 255 W CA 1.845 58.909 57.345 -0.468 0.000 1.274 255 W CB -1.074 28.034 29.460 -0.588 0.000 1.138 255 W HN 0.296 nan 8.180 nan 0.000 0.515 256 A N -0.672 122.227 122.820 0.132 0.000 1.969 256 A HA -0.167 4.191 4.320 0.063 0.000 0.218 256 A C 1.931 179.563 177.584 0.080 0.000 1.169 256 A CA 1.606 53.722 52.037 0.132 0.000 0.635 256 A CB -0.568 18.540 19.000 0.179 0.000 0.810 256 A HN 0.101 nan 8.150 nan 0.000 0.445 257 M N 0.656 120.262 119.600 0.010 0.000 2.492 257 M HA 0.022 4.539 4.480 0.063 0.000 0.262 257 M C 1.424 177.770 176.300 0.077 0.000 1.090 257 M CA 0.777 56.025 55.300 -0.087 0.000 1.110 257 M CB -1.316 30.984 32.600 -0.500 0.000 1.407 257 M HN 0.543 nan 8.290 nan 0.000 0.470 258 S N 0.198 116.004 115.700 0.177 0.000 2.641 258 S HA 0.103 4.611 4.470 0.063 0.000 0.261 258 S C 0.703 175.437 174.600 0.223 0.000 1.257 258 S CA -0.476 57.869 58.200 0.242 0.000 0.983 258 S CB 0.996 64.390 63.200 0.323 0.000 0.990 258 S HN 0.170 nan 8.310 nan 0.000 0.572 259 D N 0.273 120.824 120.400 0.252 0.000 2.378 259 D HA 0.005 4.683 4.640 0.063 0.000 0.222 259 D C 1.791 178.240 176.300 0.249 0.000 0.980 259 D CA 0.354 54.520 54.000 0.278 0.000 0.907 259 D CB -0.163 40.863 40.800 0.377 0.000 0.899 259 D HN 0.402 nan 8.370 nan 0.000 0.527 260 R N 0.135 120.777 120.500 0.238 0.000 2.200 260 R HA -0.052 4.326 4.340 0.063 0.000 0.234 260 R C 2.039 178.500 176.300 0.268 0.000 1.127 260 R CA 0.922 57.187 56.100 0.276 0.000 0.989 260 R CB -0.705 29.830 30.300 0.392 0.000 0.869 260 R HN 0.176 nan 8.270 nan 0.000 0.459 261 G N 1.343 110.285 108.800 0.238 0.000 2.744 261 G HA2 -0.018 3.980 3.960 0.063 0.000 0.211 261 G HA3 -0.018 3.980 3.960 0.063 0.000 0.211 261 G C 1.033 176.072 174.900 0.232 0.000 1.143 261 G CA 0.076 45.305 45.100 0.215 0.000 0.788 261 G HN 0.410 nan 8.290 nan 0.000 0.534 262 I N -1.993 118.725 120.570 0.247 0.000 2.926 262 I HA 0.350 4.557 4.170 0.063 0.000 0.295 262 I C -2.854 173.415 176.117 0.254 0.000 1.463 262 I CA -2.548 58.904 61.300 0.254 0.000 0.892 262 I CB 1.724 39.878 38.000 0.257 0.000 1.874 262 I HN -0.258 nan 8.210 nan 0.000 0.620 263 P HA 0.066 nan 4.420 nan 0.000 0.269 263 P C 0.547 177.985 177.300 0.231 0.000 1.209 263 P CA -0.149 63.058 63.100 0.178 0.000 0.776 263 P CB 1.289 33.031 31.700 0.071 0.000 0.876 264 R N 1.797 122.417 120.500 0.201 0.000 2.115 264 R HA 0.016 4.393 4.340 0.063 0.000 0.230 264 R C 0.477 176.916 176.300 0.232 0.000 1.111 264 R CA 1.393 57.660 56.100 0.278 0.000 0.976 264 R CB -0.412 30.023 30.300 0.226 0.000 0.870 264 R HN 0.553 nan 8.270 nan 0.000 0.445 265 S N -2.895 112.733 115.700 -0.120 0.000 2.567 265 S HA 0.220 4.728 4.470 0.063 0.000 0.270 265 S C -0.499 173.772 174.600 -0.548 0.000 1.152 265 S CA -0.852 57.114 58.200 -0.390 0.000 0.835 265 S CB 0.132 63.242 63.200 -0.149 0.000 1.115 265 S HN 0.106 nan 8.310 nan 0.000 0.459 266 Y N 2.001 121.928 120.300 -0.622 0.000 2.497 266 Y HA 0.130 4.718 4.550 0.064 0.000 0.292 266 Y C 2.292 177.855 175.900 -0.562 0.000 1.137 266 Y CA 0.782 58.395 58.100 -0.811 0.000 1.285 266 Y CB -0.246 37.309 38.460 -1.509 0.000 0.991 266 Y HN 0.530 nan 8.280 nan 0.000 0.556 267 R N -0.547 119.827 120.500 -0.209 0.000 2.235 267 R HA -0.025 4.352 4.340 0.063 0.000 0.213 267 R C 1.066 177.327 176.300 -0.064 0.000 1.059 267 R CA 1.482 57.511 56.100 -0.119 0.000 0.997 267 R CB -0.335 29.887 30.300 -0.129 0.000 0.884 267 R HN 0.320 nan 8.270 nan 0.000 0.462 268 T N -2.005 112.527 114.554 -0.036 0.000 3.331 268 T HA 0.328 4.716 4.350 0.063 0.000 0.282 268 T C 0.218 174.961 174.700 0.073 0.000 1.010 268 T CA -0.668 61.438 62.100 0.010 0.000 0.928 268 T CB -0.046 68.812 68.868 -0.017 0.000 1.154 268 T HN 0.069 nan 8.240 nan 0.000 0.516 269 M N -0.997 118.690 119.600 0.145 0.000 2.644 269 M HA 0.737 5.254 4.480 0.063 0.000 0.304 269 M C -1.079 175.415 176.300 0.322 0.000 1.215 269 M CA -0.874 54.557 55.300 0.218 0.000 0.871 269 M CB 2.128 34.852 32.600 0.207 0.000 1.740 269 M HN -0.153 nan 8.290 nan 0.000 0.464 270 E N 0.415 120.798 120.200 0.305 0.000 2.345 270 E HA 0.630 5.018 4.350 0.063 0.000 0.259 270 E C -0.286 176.392 176.600 0.130 0.000 1.117 270 E CA -0.510 56.001 56.400 0.186 0.000 0.913 270 E CB 1.612 31.344 29.700 0.054 0.000 1.057 270 E HN 0.857 nan 8.360 nan 0.000 0.432 271 G N 0.762 109.454 108.800 -0.179 0.000 2.519 271 G HA2 0.634 4.631 3.960 0.063 0.000 0.307 271 G HA3 0.634 4.631 3.960 0.063 0.000 0.307 271 G C -1.462 172.972 174.900 -0.776 0.000 1.266 271 G CA -0.469 44.478 45.100 -0.255 0.000 0.970 271 G HN 0.287 nan 8.290 nan 0.000 0.481 272 F N -0.312 119.576 119.950 -0.104 0.000 2.596 272 F HA 0.460 5.024 4.527 0.062 0.000 0.311 272 F C 1.101 176.807 175.800 -0.157 0.000 1.116 272 F CA -0.533 57.331 58.000 -0.225 0.000 0.957 272 F CB 2.529 41.349 39.000 -0.300 0.000 1.250 272 F HN 0.615 nan 8.300 nan 0.000 0.444 273 G N 0.747 109.603 108.800 0.094 0.000 2.598 273 G HA2 0.170 4.167 3.960 0.063 0.000 0.215 273 G HA3 0.170 4.167 3.960 0.063 0.000 0.215 273 G C 1.110 176.065 174.900 0.092 0.000 1.131 273 G CA 0.967 46.179 45.100 0.187 0.000 0.785 273 G HN 0.702 nan 8.290 nan 0.000 0.539 274 V N -0.237 119.652 119.914 -0.040 0.000 0.582 274 V HA -0.309 3.849 4.120 0.063 0.000 0.092 274 V C 0.995 176.942 176.094 -0.244 0.000 1.874 274 V CA 2.039 64.177 62.300 -0.270 0.000 3.418 274 V CB -1.493 30.051 31.823 -0.465 0.000 0.707 274 V HN 0.629 nan 8.190 nan 0.000 0.732 275 H N 1.226 120.301 119.070 0.008 0.000 2.690 275 H HA 0.373 4.968 4.556 0.064 0.000 0.365 275 H C 0.356 175.607 175.328 -0.129 0.000 1.142 275 H CA 0.725 56.676 56.048 -0.163 0.000 1.417 275 H CB 0.456 29.943 29.762 -0.459 0.000 1.446 275 H HN 0.536 nan 8.280 nan 0.000 0.599 276 T N 3.671 118.188 114.554 -0.062 0.000 2.814 276 T HA 0.227 4.614 4.350 0.063 0.000 0.297 276 T C 0.265 174.891 174.700 -0.123 0.000 0.956 276 T CA 0.117 62.176 62.100 -0.070 0.000 1.123 276 T CB -0.129 68.651 68.868 -0.147 0.000 0.902 276 T HN 0.251 nan 8.240 nan 0.000 0.528 277 F N 1.005 120.914 119.950 -0.068 0.000 2.671 277 F HA 0.643 5.206 4.527 0.060 0.000 0.373 277 F C 0.984 176.744 175.800 -0.067 0.000 1.122 277 F CA -1.417 56.570 58.000 -0.021 0.000 1.082 277 F CB 1.473 40.448 39.000 -0.042 0.000 1.399 277 F HN 0.185 nan 8.300 nan 0.000 0.509 278 R N 0.629 121.195 120.500 0.109 0.000 2.711 278 R HA 0.655 5.033 4.340 0.063 0.000 0.284 278 R C -1.525 174.662 176.300 -0.189 0.000 0.968 278 R CA -0.847 55.179 56.100 -0.123 0.000 0.924 278 R CB 1.814 31.976 30.300 -0.229 0.000 1.162 278 R HN 0.436 nan 8.270 nan 0.000 0.465 279 L N 3.482 124.544 121.223 -0.268 0.000 2.322 279 L HA 0.542 4.920 4.340 0.063 0.000 0.279 279 L C -0.518 176.195 176.870 -0.261 0.000 1.036 279 L CA -0.935 53.757 54.840 -0.248 0.000 0.807 279 L CB 1.344 43.265 42.059 -0.231 0.000 1.226 279 L HN 0.364 nan 8.230 nan 0.000 0.433 280 I N 2.617 123.058 120.570 -0.216 0.000 2.478 280 I HA 0.275 4.482 4.170 0.063 0.000 0.287 280 I C -0.341 175.689 176.117 -0.144 0.000 1.042 280 I CA -0.735 60.440 61.300 -0.207 0.000 1.067 280 I CB 1.409 39.296 38.000 -0.189 0.000 1.233 280 I HN 0.627 nan 8.210 nan 0.000 0.431 281 N N 4.812 123.440 118.700 -0.121 0.000 2.491 281 N HA 0.414 5.192 4.740 0.063 0.000 0.279 281 N C 0.795 176.265 175.510 -0.067 0.000 1.236 281 N CA -0.341 52.658 53.050 -0.085 0.000 0.982 281 N CB 0.759 39.203 38.487 -0.071 0.000 1.194 281 N HN 0.510 nan 8.380 nan 0.000 0.582 282 A N -0.661 122.129 122.820 -0.051 0.000 2.067 282 A HA -0.088 4.270 4.320 0.063 0.000 0.219 282 A C 1.254 178.818 177.584 -0.033 0.000 1.158 282 A CA 0.976 52.989 52.037 -0.041 0.000 0.661 282 A CB -0.531 18.451 19.000 -0.030 0.000 0.801 282 A HN 0.675 nan 8.150 nan 0.000 0.452 283 E N -1.058 119.123 120.200 -0.031 0.000 2.502 283 E HA 0.178 4.565 4.350 0.063 0.000 0.194 283 E C 1.312 177.903 176.600 -0.016 0.000 1.062 283 E CA 0.643 57.030 56.400 -0.022 0.000 0.867 283 E CB -0.332 29.356 29.700 -0.020 0.000 0.888 283 E HN 0.777 nan 8.360 nan 0.000 0.510 284 G N 1.862 110.649 108.800 -0.021 0.000 2.176 284 G HA2 -0.341 3.657 3.960 0.063 0.000 0.253 284 G HA3 -0.341 3.657 3.960 0.063 0.000 0.253 284 G C 0.443 175.356 174.900 0.023 0.000 0.979 284 G CA 0.403 45.509 45.100 0.010 0.000 0.641 284 G HN 0.310 nan 8.290 nan 0.000 0.530 285 K N 1.084 121.463 120.400 -0.035 0.000 2.412 285 K HA 0.579 4.936 4.320 0.063 0.000 0.281 285 K C 0.677 177.146 176.600 -0.218 0.000 1.027 285 K CA 0.317 56.554 56.287 -0.083 0.000 0.989 285 K CB 0.348 32.801 32.500 -0.078 0.000 0.935 285 K HN 0.611 nan 8.250 nan 0.000 0.475 286 A N 3.677 126.259 122.820 -0.397 0.000 2.301 286 A HA 0.378 4.736 4.320 0.063 0.000 0.298 286 A C -0.677 176.598 177.584 -0.514 0.000 1.185 286 A CA -0.463 51.180 52.037 -0.656 0.000 0.830 286 A CB 1.030 19.208 19.000 -1.370 0.000 1.112 286 A HN 0.727 nan 8.150 nan 0.000 0.508 287 T N 2.425 116.711 114.554 -0.447 0.000 2.841 287 T HA 0.547 4.935 4.350 0.063 0.000 0.283 287 T C -0.588 173.891 174.700 -0.368 0.000 1.000 287 T CA -0.078 61.814 62.100 -0.347 0.000 0.977 287 T CB 0.486 69.243 68.868 -0.184 0.000 0.979 287 T HN 0.343 nan 8.240 nan 0.000 0.446 288 F N 1.931 121.790 119.950 -0.151 0.000 2.418 288 F HA 0.546 5.110 4.527 0.061 0.000 0.341 288 F C 0.568 176.252 175.800 -0.194 0.000 1.120 288 F CA -0.451 57.454 58.000 -0.159 0.000 1.232 288 F CB 0.712 39.640 39.000 -0.119 0.000 1.175 288 F HN 0.191 nan 8.300 nan 0.000 0.569 289 V N 4.296 124.174 119.914 -0.060 0.000 2.888 289 V HA 0.604 4.762 4.120 0.063 0.000 0.309 289 V C -1.040 174.845 176.094 -0.348 0.000 1.114 289 V CA -0.754 61.359 62.300 -0.311 0.000 0.940 289 V CB 2.112 33.534 31.823 -0.668 0.000 1.021 289 V HN 0.777 nan 8.190 nan 0.000 0.426 290 R N 4.619 124.961 120.500 -0.262 0.000 2.599 290 R HA 0.567 4.945 4.340 0.063 0.000 0.295 290 R C -1.645 174.586 176.300 -0.114 0.000 0.963 290 R CA -0.480 55.501 56.100 -0.198 0.000 0.883 290 R CB 2.113 32.420 30.300 0.012 0.000 1.171 290 R HN 0.600 nan 8.270 nan 0.000 0.450 291 F N 2.130 122.118 119.950 0.063 0.000 2.394 291 F HA 0.353 4.917 4.527 0.062 0.000 0.340 291 F C 0.936 176.670 175.800 -0.109 0.000 1.105 291 F CA -0.074 57.932 58.000 0.011 0.000 1.124 291 F CB 0.875 39.770 39.000 -0.175 0.000 1.145 291 F HN 0.191 nan 8.300 nan 0.000 0.505 292 H N 1.186 120.252 119.070 -0.006 0.000 2.717 292 H HA 0.234 4.828 4.556 0.063 0.000 0.366 292 H C -1.500 173.610 175.328 -0.363 0.000 1.132 292 H CA -0.997 54.935 56.048 -0.193 0.000 1.180 292 H CB 1.868 31.612 29.762 -0.029 0.000 1.678 292 H HN 0.677 nan 8.280 nan 0.000 0.537 293 W N 2.512 123.674 121.300 -0.229 0.000 2.475 293 W HA 0.321 5.018 4.660 0.061 0.000 0.317 293 W C 0.000 176.541 176.519 0.036 0.000 1.046 293 W CA -0.776 56.505 57.345 -0.107 0.000 1.215 293 W CB 1.697 30.910 29.460 -0.412 0.000 1.335 293 W HN 0.295 nan 8.180 nan 0.000 0.471 294 K N 5.625 126.297 120.400 0.455 0.000 2.235 294 K HA 0.415 4.773 4.320 0.063 0.000 0.266 294 K C -2.480 174.351 176.600 0.385 0.000 0.980 294 K CA -1.881 54.611 56.287 0.341 0.000 0.849 294 K CB 1.515 34.166 32.500 0.251 0.000 1.098 294 K HN 0.045 nan 8.250 nan 0.000 0.445 295 P HA 0.092 nan 4.420 nan 0.000 0.287 295 P C 0.290 177.597 177.300 0.011 0.000 1.294 295 P CA -0.225 62.936 63.100 0.102 0.000 0.776 295 P CB 0.874 32.650 31.700 0.127 0.000 0.889 296 L N 2.521 123.693 121.223 -0.086 0.000 2.465 296 L HA -0.044 4.334 4.340 0.063 0.000 0.224 296 L C 2.163 179.010 176.870 -0.040 0.000 1.145 296 L CA 0.958 55.783 54.840 -0.024 0.000 0.834 296 L CB -0.593 41.462 42.059 -0.007 0.000 0.944 296 L HN 0.345 nan 8.230 nan 0.000 0.451 297 A N 0.041 122.810 122.820 -0.085 0.000 2.208 297 A HA 0.405 4.763 4.320 0.063 0.000 0.209 297 A C 1.270 178.849 177.584 -0.010 0.000 1.161 297 A CA 0.706 52.711 52.037 -0.054 0.000 0.782 297 A CB -0.322 18.627 19.000 -0.084 0.000 0.816 297 A HN 0.453 nan 8.150 nan 0.000 0.477 298 G N -0.748 108.059 108.800 0.013 0.000 2.712 298 G HA2 -0.113 3.884 3.960 0.063 0.000 0.683 298 G HA3 -0.113 3.884 3.960 0.063 0.000 0.683 298 G C -0.674 174.254 174.900 0.048 0.000 1.320 298 G CA -0.453 44.675 45.100 0.048 0.000 0.847 298 G HN 0.438 nan 8.290 nan 0.000 0.553 299 K N 0.160 120.596 120.400 0.059 0.000 2.201 299 K HA 0.716 5.074 4.320 0.063 0.000 0.278 299 K C 0.229 176.826 176.600 -0.006 0.000 1.027 299 K CA 0.226 56.534 56.287 0.035 0.000 0.909 299 K CB 1.725 34.233 32.500 0.014 0.000 1.062 299 K HN 1.429 nan 8.250 nan 0.000 0.465 300 A N 1.751 124.555 122.820 -0.026 0.000 2.566 300 A HA 0.618 4.976 4.320 0.063 0.000 0.297 300 A C -1.146 176.485 177.584 0.078 0.000 1.059 300 A CA -0.664 51.313 52.037 -0.100 0.000 0.691 300 A CB 1.763 20.488 19.000 -0.457 0.000 1.282 300 A HN 0.518 nan 8.150 nan 0.000 0.401 301 S N 0.338 116.245 115.700 0.346 0.000 2.627 301 S HA 0.748 5.256 4.470 0.063 0.000 0.283 301 S C -0.230 174.687 174.600 0.529 0.000 1.127 301 S CA -0.611 57.826 58.200 0.394 0.000 0.863 301 S CB 1.210 64.633 63.200 0.372 0.000 1.121 301 S HN 0.657 nan 8.310 nan 0.000 0.479 302 L N 1.360 122.784 121.223 0.334 0.000 2.490 302 L HA 0.551 4.928 4.340 0.063 0.000 0.245 302 L C 0.118 177.100 176.870 0.186 0.000 1.185 302 L CA -0.798 54.158 54.840 0.193 0.000 0.813 302 L CB 0.206 42.290 42.059 0.041 0.000 1.233 302 L HN 0.504 nan 8.230 nan 0.000 0.489 303 V N -2.881 117.037 119.914 0.007 0.000 2.850 303 V HA 0.177 4.334 4.120 0.063 0.000 0.315 303 V C 0.696 176.719 176.094 -0.118 0.000 1.064 303 V CA -0.744 61.527 62.300 -0.049 0.000 0.979 303 V CB 1.604 33.366 31.823 -0.102 0.000 1.039 303 V HN 0.944 nan 8.190 nan 0.000 0.452 304 W N 1.841 123.002 121.300 -0.232 0.000 2.333 304 W HA -0.209 4.488 4.660 0.062 0.000 0.316 304 W C 1.802 178.161 176.519 -0.267 0.000 1.215 304 W CA 2.501 59.707 57.345 -0.232 0.000 1.278 304 W CB -0.125 29.188 29.460 -0.245 0.000 1.154 304 W HN 0.997 nan 8.180 nan 0.000 0.486 305 D N 0.257 120.362 120.400 -0.492 0.000 2.149 305 D HA -0.292 4.386 4.640 0.063 0.000 0.198 305 D C 2.163 178.104 176.300 -0.599 0.000 0.990 305 D CA 2.113 55.789 54.000 -0.540 0.000 0.839 305 D CB -0.459 40.273 40.800 -0.114 0.000 0.948 305 D HN 0.367 nan 8.370 nan 0.000 0.460 306 E N -0.255 119.467 120.200 -0.798 0.000 2.031 306 E HA -0.214 4.173 4.350 0.063 0.000 0.193 306 E C 2.060 178.319 176.600 -0.569 0.000 0.994 306 E CA 1.081 56.982 56.400 -0.833 0.000 0.800 306 E CB -0.256 28.787 29.700 -1.096 0.000 0.752 306 E HN 0.299 nan 8.360 nan 0.000 0.447 307 A N 1.271 123.774 122.820 -0.528 0.000 1.892 307 A HA -0.279 4.078 4.320 0.063 0.000 0.218 307 A C 2.190 179.432 177.584 -0.570 0.000 1.188 307 A CA 1.979 53.748 52.037 -0.447 0.000 0.631 307 A CB -0.743 18.113 19.000 -0.240 0.000 0.822 307 A HN 0.479 nan 8.150 nan 0.000 0.447 308 Q N -0.786 118.458 119.800 -0.926 0.000 2.172 308 Q HA -0.114 4.264 4.340 0.063 0.000 0.200 308 Q C 2.128 177.843 176.000 -0.475 0.000 0.964 308 Q CA 1.463 56.752 55.803 -0.857 0.000 0.855 308 Q CB -0.097 27.814 28.738 -1.378 0.000 0.918 308 Q HN 0.678 nan 8.270 nan 0.000 0.444 309 K N 0.100 120.242 120.400 -0.430 0.000 2.097 309 K HA -0.128 4.230 4.320 0.063 0.000 0.205 309 K C 2.020 178.478 176.600 -0.235 0.000 1.050 309 K CA 0.619 56.751 56.287 -0.258 0.000 0.938 309 K CB 0.014 32.408 32.500 -0.176 0.000 0.718 309 K HN 0.172 nan 8.250 nan 0.000 0.442 310 L N 1.431 122.472 121.223 -0.303 0.000 2.201 310 L HA -0.123 4.254 4.340 0.063 0.000 0.212 310 L C 2.165 178.902 176.870 -0.222 0.000 1.105 310 L CA 2.078 56.740 54.840 -0.297 0.000 0.775 310 L CB -0.895 40.894 42.059 -0.450 0.000 0.913 310 L HN 0.308 nan 8.230 nan 0.000 0.440 311 T N -4.237 110.187 114.554 -0.216 0.000 2.849 311 T HA -0.092 4.295 4.350 0.063 0.000 0.270 311 T C 1.829 176.468 174.700 -0.102 0.000 1.066 311 T CA 1.091 63.107 62.100 -0.140 0.000 1.130 311 T CB -0.940 67.856 68.868 -0.120 0.000 0.864 311 T HN 0.389 nan 8.240 nan 0.000 0.481 312 G N 0.850 109.583 108.800 -0.112 0.000 2.441 312 G HA2 0.032 4.030 3.960 0.063 0.000 0.212 312 G HA3 0.032 4.030 3.960 0.063 0.000 0.212 312 G C 1.892 176.751 174.900 -0.068 0.000 1.164 312 G CA -0.309 44.743 45.100 -0.080 0.000 0.811 312 G HN 0.302 nan 8.290 nan 0.000 0.535 313 R N 0.201 120.651 120.500 -0.083 0.000 2.119 313 R HA 0.074 4.451 4.340 0.063 0.000 0.222 313 R C -0.245 176.034 176.300 -0.035 0.000 1.088 313 R CA 0.610 56.675 56.100 -0.058 0.000 0.984 313 R CB -0.103 30.156 30.300 -0.069 0.000 0.884 313 R HN 0.293 nan 8.270 nan 0.000 0.447 314 D N -0.468 119.907 120.400 -0.042 0.000 2.411 314 D HA 0.140 4.818 4.640 0.063 0.000 0.239 314 D C -2.136 174.171 176.300 0.011 0.000 1.307 314 D CA -1.691 52.319 54.000 0.016 0.000 0.930 314 D CB 1.487 42.349 40.800 0.103 0.000 1.395 314 D HN -0.135 nan 8.370 nan 0.000 0.536 315 P HA 0.031 nan 4.420 nan 0.000 0.230 315 P C 0.034 177.342 177.300 0.014 0.000 1.158 315 P CA 0.557 63.649 63.100 -0.014 0.000 0.769 315 P CB 0.540 32.227 31.700 -0.021 0.000 0.807 316 D N -1.260 119.159 120.400 0.032 0.000 2.525 316 D HA 0.080 4.757 4.640 0.063 0.000 0.229 316 D C 1.131 177.468 176.300 0.062 0.000 1.202 316 D CA -0.474 53.549 54.000 0.039 0.000 0.828 316 D CB -0.539 40.260 40.800 -0.002 0.000 1.008 316 D HN 0.105 nan 8.370 nan 0.000 0.493 317 F N 1.209 121.105 119.950 -0.091 0.000 2.126 317 F HA -0.230 4.334 4.527 0.063 0.000 0.299 317 F C 2.029 177.813 175.800 -0.027 0.000 1.096 317 F CA 1.879 59.821 58.000 -0.096 0.000 1.255 317 F CB 0.073 38.961 39.000 -0.186 0.000 0.997 317 F HN 0.124 nan 8.300 nan 0.000 0.479 318 H N -1.258 117.738 119.070 -0.123 0.000 2.395 318 H HA -0.057 4.537 4.556 0.062 0.000 0.299 318 H C 2.372 177.614 175.328 -0.143 0.000 1.070 318 H CA 0.789 56.627 56.048 -0.350 0.000 1.356 318 H CB -0.101 29.283 29.762 -0.630 0.000 1.401 318 H HN 0.176 nan 8.280 nan 0.000 0.524 319 R N 1.315 121.922 120.500 0.178 0.000 2.073 319 R HA -0.140 4.237 4.340 0.063 0.000 0.234 319 R C 2.457 178.858 176.300 0.168 0.000 1.134 319 R CA 1.457 57.706 56.100 0.250 0.000 0.952 319 R CB -0.036 30.389 30.300 0.208 0.000 0.850 319 R HN 0.189 nan 8.270 nan 0.000 0.433 320 R N 0.288 120.807 120.500 0.033 0.000 2.066 320 R HA -0.138 4.240 4.340 0.063 0.000 0.232 320 R C 2.189 178.481 176.300 -0.013 0.000 1.131 320 R CA 1.667 57.769 56.100 0.003 0.000 0.955 320 R CB -0.235 30.023 30.300 -0.070 0.000 0.851 320 R HN 0.268 nan 8.270 nan 0.000 0.432 321 E N 0.680 120.757 120.200 -0.204 0.000 2.110 321 E HA -0.202 4.186 4.350 0.063 0.000 0.193 321 E C 1.989 178.563 176.600 -0.043 0.000 0.988 321 E CA 1.059 57.324 56.400 -0.226 0.000 0.804 321 E CB -0.040 29.352 29.700 -0.513 0.000 0.745 321 E HN 0.279 nan 8.360 nan 0.000 0.458 322 L N 0.721 121.965 121.223 0.035 0.000 2.027 322 L HA -0.139 4.239 4.340 0.063 0.000 0.206 322 L C 2.251 179.226 176.870 0.175 0.000 1.074 322 L CA 1.808 56.712 54.840 0.107 0.000 0.745 322 L CB -0.914 41.267 42.059 0.203 0.000 0.898 322 L HN 0.295 nan 8.230 nan 0.000 0.433 323 W N 0.940 122.273 121.300 0.055 0.000 2.338 323 W HA -0.211 4.486 4.660 0.062 0.000 0.304 323 W C 2.173 178.722 176.519 0.049 0.000 1.212 323 W CA 2.185 59.575 57.345 0.074 0.000 1.264 323 W CB -0.086 29.419 29.460 0.076 0.000 1.142 323 W HN 0.366 nan 8.180 nan 0.000 0.512 324 E N -0.099 120.273 120.200 0.287 0.000 2.152 324 E HA -0.120 4.268 4.350 0.063 0.000 0.192 324 E C 2.366 178.997 176.600 0.052 0.000 0.983 324 E CA 1.020 57.512 56.400 0.153 0.000 0.818 324 E CB -0.332 29.412 29.700 0.074 0.000 0.758 324 E HN 0.177 nan 8.360 nan 0.000 0.467 325 A N 1.266 124.114 122.820 0.048 0.000 1.902 325 A HA -0.168 4.189 4.320 0.063 0.000 0.217 325 A C 2.150 179.760 177.584 0.043 0.000 1.181 325 A CA 1.017 53.075 52.037 0.035 0.000 0.623 325 A CB -0.516 18.506 19.000 0.037 0.000 0.818 325 A HN 0.128 nan 8.150 nan 0.000 0.443 326 I N -0.431 120.183 120.570 0.073 0.000 2.179 326 I HA -0.244 3.964 4.170 0.063 0.000 0.242 326 I C 2.462 178.645 176.117 0.110 0.000 1.088 326 I CA 1.461 62.852 61.300 0.151 0.000 1.357 326 I CB -0.429 37.592 38.000 0.035 0.000 1.051 326 I HN 0.418 nan 8.210 nan 0.000 0.409 327 E N 0.793 121.005 120.200 0.019 0.000 2.160 327 E HA -0.222 4.166 4.350 0.063 0.000 0.195 327 E C 2.114 178.723 176.600 0.015 0.000 0.991 327 E CA 1.318 57.740 56.400 0.037 0.000 0.810 327 E CB -0.130 29.622 29.700 0.087 0.000 0.742 327 E HN 0.523 nan 8.360 nan 0.000 0.466 328 A N -0.063 122.740 122.820 -0.029 0.000 2.208 328 A HA 0.220 4.577 4.320 0.063 0.000 0.209 328 A C 1.811 179.317 177.584 -0.129 0.000 1.161 328 A CA 0.969 52.965 52.037 -0.069 0.000 0.782 328 A CB -0.073 18.866 19.000 -0.102 0.000 0.816 328 A HN 0.346 nan 8.150 nan 0.000 0.477 329 G N -0.436 108.203 108.800 -0.268 0.000 2.176 329 G HA2 -0.209 3.788 3.960 0.063 0.000 0.253 329 G HA3 -0.209 3.788 3.960 0.063 0.000 0.253 329 G C -0.174 174.223 174.900 -0.838 0.000 0.979 329 G CA 0.244 44.882 45.100 -0.770 0.000 0.641 329 G HN 0.454 nan 8.290 nan 0.000 0.530 330 D N 1.128 121.317 120.400 -0.353 0.000 2.801 330 D HA 0.296 4.973 4.640 0.063 0.000 0.232 330 D C 0.709 176.953 176.300 -0.094 0.000 1.128 330 D CA -0.084 53.805 54.000 -0.185 0.000 1.003 330 D CB -0.733 40.059 40.800 -0.013 0.000 1.110 330 D HN 0.421 nan 8.370 nan 0.000 0.477 331 F N 1.371 121.322 119.950 0.001 0.000 2.578 331 F HA 0.107 4.672 4.527 0.063 0.000 0.376 331 F C -1.346 174.423 175.800 -0.052 0.000 1.085 331 F CA -2.011 55.980 58.000 -0.015 0.000 1.260 331 F CB 0.101 39.101 39.000 -0.000 0.000 1.095 331 F HN -0.080 nan 8.300 nan 0.000 0.573 332 P HA 0.016 nan 4.420 nan 0.000 0.262 332 P C -1.078 176.161 177.300 -0.101 0.000 1.199 332 P CA 0.406 63.487 63.100 -0.030 0.000 0.763 332 P CB 0.410 32.187 31.700 0.128 0.000 0.790 333 E N 2.440 122.439 120.200 -0.336 0.000 2.238 333 E HA 0.489 4.877 4.350 0.063 0.000 0.267 333 E C -1.017 175.266 176.600 -0.528 0.000 0.887 333 E CA -0.575 55.681 56.400 -0.239 0.000 0.769 333 E CB 1.461 31.117 29.700 -0.075 0.000 1.187 333 E HN 0.382 nan 8.360 nan 0.000 0.416 334 Y N 0.192 120.562 120.300 0.117 0.000 2.534 334 Y HA 0.231 4.819 4.550 0.064 0.000 0.345 334 Y C -0.373 175.756 175.900 0.381 0.000 1.031 334 Y CA -0.977 57.266 58.100 0.237 0.000 1.022 334 Y CB 2.037 40.612 38.460 0.192 0.000 1.292 334 Y HN 0.454 nan 8.280 nan 0.000 0.459 335 E N 2.670 123.211 120.200 0.568 0.000 2.134 335 E HA 0.388 4.776 4.350 0.063 0.000 0.278 335 E C -1.495 175.394 176.600 0.480 0.000 0.959 335 E CA -0.923 55.760 56.400 0.472 0.000 0.783 335 E CB 0.993 30.903 29.700 0.350 0.000 1.095 335 E HN 0.583 nan 8.360 nan 0.000 0.399 336 L N 4.372 125.805 121.223 0.350 0.000 2.416 336 L HA 0.499 4.876 4.340 0.063 0.000 0.272 336 L C -0.039 176.780 176.870 -0.084 0.000 1.161 336 L CA 0.661 55.413 54.840 -0.146 0.000 0.845 336 L CB 1.037 42.965 42.059 -0.218 0.000 1.119 336 L HN 0.588 nan 8.230 nan 0.000 0.464 337 G N 4.349 113.111 108.800 -0.064 0.000 2.612 337 G HA2 0.563 4.561 3.960 0.063 0.000 0.298 337 G HA3 0.563 4.561 3.960 0.063 0.000 0.298 337 G C -1.651 173.403 174.900 0.257 0.000 1.336 337 G CA -0.513 44.589 45.100 0.003 0.000 0.953 337 G HN 0.463 nan 8.290 nan 0.000 0.482 338 F N 0.146 120.114 119.950 0.030 0.000 2.520 338 F HA 0.389 4.954 4.527 0.063 0.000 0.322 338 F C 0.295 176.088 175.800 -0.011 0.000 1.103 338 F CA -0.984 57.034 58.000 0.030 0.000 0.926 338 F CB 2.657 41.657 39.000 0.001 0.000 1.154 338 F HN 0.150 nan 8.300 nan 0.000 0.453 339 Q N 4.244 124.156 119.800 0.186 0.000 2.274 339 Q HA 0.510 4.888 4.340 0.063 0.000 0.256 339 Q C -1.086 174.953 176.000 0.065 0.000 0.927 339 Q CA -0.442 55.417 55.803 0.094 0.000 0.939 339 Q CB 2.190 30.986 28.738 0.098 0.000 1.201 339 Q HN 0.520 nan 8.270 nan 0.000 0.426 340 L N 4.271 125.541 121.223 0.079 0.000 2.341 340 L HA 0.600 4.978 4.340 0.063 0.000 0.278 340 L C -0.625 176.299 176.870 0.089 0.000 1.005 340 L CA -0.599 54.277 54.840 0.060 0.000 0.818 340 L CB 1.413 43.517 42.059 0.075 0.000 1.259 340 L HN 0.513 nan 8.230 nan 0.000 0.418 341 I N 4.504 125.143 120.570 0.115 0.000 2.466 341 I HA 0.377 4.584 4.170 0.063 0.000 0.289 341 I C -2.234 173.997 176.117 0.190 0.000 1.026 341 I CA -2.035 59.376 61.300 0.184 0.000 1.078 341 I CB 2.575 40.704 38.000 0.216 0.000 1.249 341 I HN 0.310 nan 8.210 nan 0.000 0.429 342 P HA 0.059 nan 4.420 nan 0.000 0.272 342 P C 0.451 177.831 177.300 0.133 0.000 1.230 342 P CA -0.124 63.017 63.100 0.069 0.000 0.788 342 P CB 0.915 32.646 31.700 0.051 0.000 0.949 343 E N 1.438 121.627 120.200 -0.017 0.000 2.118 343 E HA -0.231 4.156 4.350 0.063 0.000 0.195 343 E C 1.441 178.149 176.600 0.180 0.000 0.992 343 E CA 1.062 57.458 56.400 -0.007 0.000 0.804 343 E CB -0.020 29.593 29.700 -0.146 0.000 0.741 343 E HN 0.489 nan 8.360 nan 0.000 0.458 344 E N 0.136 120.406 120.200 0.117 0.000 2.472 344 E HA -0.174 4.214 4.350 0.063 0.000 0.200 344 E C 0.279 176.960 176.600 0.136 0.000 1.046 344 E CA 0.830 57.307 56.400 0.127 0.000 0.871 344 E CB 0.080 29.828 29.700 0.079 0.000 0.806 344 E HN 0.234 nan 8.360 nan 0.000 0.533 345 D N 1.109 121.597 120.400 0.148 0.000 2.402 345 D HA 0.011 4.689 4.640 0.063 0.000 0.216 345 D C 1.287 177.652 176.300 0.108 0.000 1.128 345 D CA -0.032 54.029 54.000 0.102 0.000 0.833 345 D CB 0.253 41.116 40.800 0.104 0.000 0.971 345 D HN 0.391 nan 8.370 nan 0.000 0.503 346 E N -0.148 120.100 120.200 0.080 0.000 2.114 346 E HA -0.207 4.181 4.350 0.063 0.000 0.199 346 E C 0.495 176.843 176.600 -0.419 0.000 1.008 346 E CA 1.188 57.426 56.400 -0.270 0.000 0.810 346 E CB 0.014 29.467 29.700 -0.410 0.000 0.739 346 E HN 0.250 nan 8.360 nan 0.000 0.456 347 F N -0.346 119.610 119.950 0.011 0.000 2.639 347 F HA 0.271 4.835 4.527 0.062 0.000 0.302 347 F C 1.383 177.123 175.800 -0.102 0.000 1.097 347 F CA -0.222 57.759 58.000 -0.031 0.000 1.294 347 F CB 0.585 39.574 39.000 -0.019 0.000 1.027 347 F HN -0.172 nan 8.300 nan 0.000 0.550 348 K N 0.001 120.354 120.400 -0.079 0.000 2.487 348 K HA 0.092 4.449 4.320 0.063 0.000 0.192 348 K C -0.212 175.993 176.600 -0.658 0.000 1.027 348 K CA 0.376 56.447 56.287 -0.360 0.000 1.054 348 K CB 0.137 32.377 32.500 -0.434 0.000 0.824 348 K HN 0.130 nan 8.250 nan 0.000 0.510 349 F N 0.550 120.343 119.950 -0.261 0.000 2.509 349 F HA 0.080 4.644 4.527 0.063 0.000 0.334 349 F C 1.271 176.858 175.800 -0.355 0.000 1.060 349 F CA -1.276 56.463 58.000 -0.435 0.000 0.997 349 F CB 0.626 38.998 39.000 -1.046 0.000 1.271 349 F HN -0.032 nan 8.300 nan 0.000 0.488 350 D N -0.445 119.937 120.400 -0.030 0.000 2.336 350 D HA 0.019 4.697 4.640 0.063 0.000 0.229 350 D C -0.370 176.024 176.300 0.156 0.000 1.061 350 D CA 0.257 54.307 54.000 0.083 0.000 0.875 350 D CB -0.840 40.045 40.800 0.141 0.000 0.904 350 D HN 0.243 nan 8.370 nan 0.000 0.525 351 F N -1.745 118.292 119.950 0.145 0.000 2.611 351 F HA 0.533 5.097 4.527 0.062 0.000 0.324 351 F C -0.291 175.504 175.800 -0.008 0.000 1.061 351 F CA -1.762 56.245 58.000 0.012 0.000 0.954 351 F CB 0.889 39.855 39.000 -0.056 0.000 1.301 351 F HN -0.342 nan 8.300 nan 0.000 0.482 352 D N 1.629 122.050 120.400 0.036 0.000 2.264 352 D HA 0.210 4.887 4.640 0.063 0.000 0.250 352 D C 0.931 177.171 176.300 -0.100 0.000 1.113 352 D CA -0.059 53.902 54.000 -0.064 0.000 0.871 352 D CB 1.558 42.347 40.800 -0.018 0.000 1.167 352 D HN 0.749 nan 8.370 nan 0.000 0.447 353 L N 3.398 124.490 121.223 -0.218 0.000 2.275 353 L HA -0.097 4.281 4.340 0.063 0.000 0.215 353 L C 1.920 178.655 176.870 -0.226 0.000 1.119 353 L CA 0.623 55.321 54.840 -0.238 0.000 0.790 353 L CB -0.016 41.758 42.059 -0.475 0.000 0.919 353 L HN 0.434 nan 8.230 nan 0.000 0.443 354 L N -0.808 120.299 121.223 -0.193 0.000 2.612 354 L HA 0.072 4.449 4.340 0.063 0.000 0.230 354 L C 0.282 177.062 176.870 -0.150 0.000 1.140 354 L CA -0.127 54.664 54.840 -0.082 0.000 0.896 354 L CB -0.205 41.917 42.059 0.104 0.000 1.065 354 L HN 0.090 nan 8.230 nan 0.000 0.447 355 D N 1.538 121.619 120.400 -0.530 0.000 2.359 355 D HA 0.152 4.829 4.640 0.063 0.000 0.230 355 D C -1.727 174.333 176.300 -0.400 0.000 1.118 355 D CA -2.305 51.130 54.000 -0.943 0.000 0.844 355 D CB 1.731 41.701 40.800 -1.383 0.000 1.059 355 D HN -0.102 nan 8.370 nan 0.000 0.493 356 P HA 0.000 nan 4.420 nan 0.000 0.245 356 P C 0.761 177.964 177.300 -0.162 0.000 1.212 356 P CA 0.443 63.469 63.100 -0.124 0.000 0.774 356 P CB -0.063 31.655 31.700 0.031 0.000 0.999 357 T N -4.443 110.000 114.554 -0.186 0.000 3.086 357 T HA 0.167 4.554 4.350 0.063 0.000 0.250 357 T C 0.710 175.313 174.700 -0.162 0.000 1.074 357 T CA -0.152 61.853 62.100 -0.159 0.000 0.988 357 T CB -0.133 68.691 68.868 -0.073 0.000 0.988 357 T HN -0.131 nan 8.240 nan 0.000 0.530 358 K N 2.167 122.377 120.400 -0.317 0.000 2.182 358 K HA 0.583 4.941 4.320 0.063 0.000 0.262 358 K C -0.273 176.142 176.600 -0.308 0.000 0.957 358 K CA -0.820 55.161 56.287 -0.510 0.000 0.842 358 K CB 2.159 34.219 32.500 -0.734 0.000 1.099 358 K HN 0.287 nan 8.250 nan 0.000 0.438 359 L N -0.485 120.697 121.223 -0.069 0.000 2.400 359 L HA 0.646 5.024 4.340 0.063 0.000 0.264 359 L C -0.012 176.685 176.870 -0.288 0.000 1.061 359 L CA -0.545 54.206 54.840 -0.149 0.000 0.799 359 L CB 0.296 42.334 42.059 -0.036 0.000 1.240 359 L HN 0.441 nan 8.230 nan 0.000 0.461 360 I N 1.359 121.851 120.570 -0.130 0.000 2.328 360 I HA 0.377 4.584 4.170 0.063 0.000 0.287 360 I C -2.145 173.991 176.117 0.031 0.000 1.012 360 I CA -1.699 59.576 61.300 -0.040 0.000 1.195 360 I CB 1.280 39.275 38.000 -0.009 0.000 1.350 360 I HN 0.447 nan 8.210 nan 0.000 0.464 361 P HA 0.062 nan 4.420 nan 0.000 0.268 361 P C 0.297 177.663 177.300 0.110 0.000 1.204 361 P CA -0.013 63.133 63.100 0.077 0.000 0.768 361 P CB 0.630 32.369 31.700 0.065 0.000 0.842 362 E N 1.748 122.020 120.200 0.121 0.000 2.204 362 E HA -0.200 4.188 4.350 0.063 0.000 0.195 362 E C 1.351 178.005 176.600 0.090 0.000 0.990 362 E CA 0.824 57.283 56.400 0.100 0.000 0.821 362 E CB -0.027 29.733 29.700 0.100 0.000 0.750 362 E HN 0.514 nan 8.360 nan 0.000 0.477 363 E N 0.382 120.636 120.200 0.090 0.000 2.204 363 E HA -0.146 4.242 4.350 0.063 0.000 0.195 363 E C 2.031 178.695 176.600 0.107 0.000 0.990 363 E CA 0.757 57.207 56.400 0.084 0.000 0.821 363 E CB 0.073 29.816 29.700 0.072 0.000 0.750 363 E HN 0.383 nan 8.360 nan 0.000 0.477 364 L N -0.419 120.890 121.223 0.143 0.000 2.221 364 L HA 0.065 4.443 4.340 0.063 0.000 0.202 364 L C 0.615 177.611 176.870 0.209 0.000 1.074 364 L CA 0.401 55.366 54.840 0.208 0.000 0.795 364 L CB 0.485 42.741 42.059 0.328 0.000 0.960 364 L HN -0.203 nan 8.230 nan 0.000 0.458 365 V N 1.621 121.631 119.914 0.160 0.000 2.462 365 V HA 0.307 4.465 4.120 0.063 0.000 0.288 365 V C -2.353 173.789 176.094 0.080 0.000 1.020 365 V CA -1.393 60.985 62.300 0.130 0.000 0.857 365 V CB 1.666 33.556 31.823 0.113 0.000 1.013 365 V HN -0.033 nan 8.190 nan 0.000 0.431 366 P HA 0.175 nan 4.420 nan 0.000 0.272 366 P C -0.285 177.017 177.300 0.004 0.000 1.223 366 P CA -0.023 63.099 63.100 0.036 0.000 0.784 366 P CB 1.321 33.045 31.700 0.041 0.000 0.923 367 V N 3.207 123.091 119.914 -0.049 0.000 2.427 367 V HA 0.061 4.219 4.120 0.063 0.000 0.268 367 V C 0.950 177.034 176.094 -0.016 0.000 1.046 367 V CA 0.123 62.359 62.300 -0.106 0.000 0.970 367 V CB 0.070 31.747 31.823 -0.242 0.000 1.001 367 V HN 0.559 nan 8.190 nan 0.000 0.476 368 Q N 6.291 126.105 119.800 0.023 0.000 2.294 368 Q HA 0.314 4.691 4.340 0.063 0.000 0.257 368 Q C -0.071 175.928 176.000 -0.000 0.000 0.955 368 Q CA -0.693 55.126 55.803 0.028 0.000 0.936 368 Q CB 0.662 29.430 28.738 0.051 0.000 1.188 368 Q HN 0.682 nan 8.270 nan 0.000 0.420 369 R N 2.618 123.140 120.500 0.036 0.000 2.489 369 R HA 0.063 4.440 4.340 0.063 0.000 0.287 369 R C 0.221 176.566 176.300 0.075 0.000 1.053 369 R CA -0.265 55.899 56.100 0.105 0.000 1.036 369 R CB 0.673 31.087 30.300 0.190 0.000 0.966 369 R HN 0.508 nan 8.270 nan 0.000 0.432 370 V N 1.161 121.039 119.914 -0.061 0.000 3.250 370 V HA 0.296 4.454 4.120 0.063 0.000 0.240 370 V C 0.777 176.649 176.094 -0.370 0.000 1.275 370 V CA 1.102 63.241 62.300 -0.268 0.000 1.206 370 V CB 1.027 32.406 31.823 -0.739 0.000 0.976 370 V HN 1.034 nan 8.190 nan 0.000 0.467 371 G N -0.294 108.178 108.800 -0.546 0.000 2.430 371 G HA2 0.497 4.495 3.960 0.063 0.000 0.300 371 G HA3 0.497 4.495 3.960 0.063 0.000 0.300 371 G C -1.854 172.676 174.900 -0.616 0.000 1.330 371 G CA -0.509 43.953 45.100 -1.064 0.000 0.813 371 G HN 0.058 nan 8.290 nan 0.000 0.487 372 K N -0.481 119.600 120.400 -0.532 0.000 2.371 372 K HA 0.739 5.096 4.320 0.063 0.000 0.251 372 K C -0.972 175.682 176.600 0.091 0.000 0.934 372 K CA -0.791 55.479 56.287 -0.028 0.000 0.798 372 K CB 2.107 34.636 32.500 0.047 0.000 1.204 372 K HN 0.591 nan 8.250 nan 0.000 0.427 373 M N 4.506 124.287 119.600 0.301 0.000 2.393 373 M HA 0.422 4.940 4.480 0.063 0.000 0.316 373 M C -1.787 174.505 176.300 -0.014 0.000 1.087 373 M CA -0.794 54.622 55.300 0.194 0.000 0.937 373 M CB 1.822 34.575 32.600 0.254 0.000 1.668 373 M HN 0.369 nan 8.290 nan 0.000 0.438 374 V N 6.140 125.872 119.914 -0.304 0.000 2.531 374 V HA 0.450 4.608 4.120 0.063 0.000 0.301 374 V C -0.632 175.301 176.094 -0.269 0.000 1.034 374 V CA -0.703 61.409 62.300 -0.312 0.000 0.865 374 V CB 1.878 33.350 31.823 -0.585 0.000 0.995 374 V HN 0.805 nan 8.190 nan 0.000 0.424 375 L N 5.554 126.718 121.223 -0.098 0.000 2.257 375 L HA 0.511 4.889 4.340 0.063 0.000 0.290 375 L C 0.422 177.178 176.870 -0.190 0.000 1.044 375 L CA -0.295 54.489 54.840 -0.094 0.000 0.810 375 L CB 1.118 43.179 42.059 0.003 0.000 1.193 375 L HN 0.874 nan 8.230 nan 0.000 0.425 376 N N 2.626 121.133 118.700 -0.321 0.000 2.184 376 N HA 0.148 4.926 4.740 0.063 0.000 0.234 376 N C -0.102 175.208 175.510 -0.333 0.000 1.282 376 N CA -0.411 52.178 53.050 -0.769 0.000 0.877 376 N CB 0.790 38.547 38.487 -1.216 0.000 1.184 376 N HN 0.485 nan 8.380 nan 0.000 0.510 377 R N 0.137 120.559 120.500 -0.131 0.000 2.561 377 R HA 0.311 4.688 4.340 0.063 0.000 0.266 377 R C -1.333 174.919 176.300 -0.081 0.000 1.091 377 R CA -0.556 55.491 56.100 -0.089 0.000 0.927 377 R CB 1.284 31.540 30.300 -0.074 0.000 1.240 377 R HN 0.038 nan 8.270 nan 0.000 0.449 378 N N 2.893 121.431 118.700 -0.270 0.000 2.467 378 N HA 0.303 5.081 4.740 0.063 0.000 0.262 378 N C -2.338 173.098 175.510 -0.122 0.000 1.234 378 N CA -1.328 51.421 53.050 -0.501 0.000 0.952 378 N CB 0.650 38.186 38.487 -1.585 0.000 1.158 378 N HN 0.300 nan 8.380 nan 0.000 0.463 379 P HA 0.115 nan 4.420 nan 0.000 0.273 379 P C 0.248 177.732 177.300 0.308 0.000 1.250 379 P CA -0.118 63.174 63.100 0.321 0.000 0.793 379 P CB 0.902 32.841 31.700 0.398 0.000 1.011 380 D N -1.083 119.472 120.400 0.258 0.000 2.201 380 D HA -0.022 4.655 4.640 0.063 0.000 0.209 380 D C 0.387 176.863 176.300 0.293 0.000 0.961 380 D CA 1.402 55.550 54.000 0.248 0.000 0.861 380 D CB 0.172 41.057 40.800 0.141 0.000 0.997 380 D HN 0.375 nan 8.370 nan 0.000 0.486 381 N N -0.346 118.519 118.700 0.275 0.000 2.410 381 N HA 0.006 4.784 4.740 0.063 0.000 0.287 381 N C -0.076 175.641 175.510 0.346 0.000 1.044 381 N CA -0.360 52.865 53.050 0.291 0.000 0.881 381 N CB 1.667 40.290 38.487 0.227 0.000 1.405 381 N HN -0.180 nan 8.380 nan 0.000 0.490 382 F N 4.246 124.345 119.950 0.249 0.000 2.102 382 F HA -0.104 4.461 4.527 0.063 0.000 0.298 382 F C 1.700 177.633 175.800 0.223 0.000 1.105 382 F CA 1.356 59.504 58.000 0.247 0.000 1.239 382 F CB -0.142 38.977 39.000 0.197 0.000 0.991 382 F HN 0.615 nan 8.300 nan 0.000 0.474 383 F N 0.846 121.023 119.950 0.378 0.000 2.069 383 F HA -0.165 4.399 4.527 0.063 0.000 0.298 383 F C 2.317 178.167 175.800 0.083 0.000 1.113 383 F CA 1.892 60.030 58.000 0.230 0.000 1.214 383 F CB -0.896 38.227 39.000 0.205 0.000 0.978 383 F HN -0.010 nan 8.300 nan 0.000 0.474 384 A N -0.540 122.433 122.820 0.256 0.000 1.969 384 A HA -0.124 4.234 4.320 0.063 0.000 0.218 384 A C 2.061 179.590 177.584 -0.092 0.000 1.169 384 A CA 1.870 53.965 52.037 0.097 0.000 0.635 384 A CB -0.596 18.503 19.000 0.164 0.000 0.810 384 A HN 0.586 nan 8.150 nan 0.000 0.445 385 E N -1.197 118.957 120.200 -0.077 0.000 2.110 385 E HA -0.063 4.325 4.350 0.063 0.000 0.193 385 E C 1.967 178.479 176.600 -0.146 0.000 0.950 385 E CA 0.470 56.767 56.400 -0.172 0.000 0.840 385 E CB -0.152 29.502 29.700 -0.078 0.000 0.809 385 E HN 0.543 nan 8.360 nan 0.000 0.465 386 N N 1.320 119.923 118.700 -0.161 0.000 2.132 386 N HA -0.166 4.612 4.740 0.063 0.000 0.187 386 N C 1.828 177.151 175.510 -0.312 0.000 1.038 386 N CA 1.378 54.275 53.050 -0.255 0.000 0.846 386 N CB 0.048 37.985 38.487 -0.917 0.000 1.012 386 N HN -0.060 nan 8.380 nan 0.000 0.429 387 E N 0.796 120.731 120.200 -0.443 0.000 2.118 387 E HA -0.110 4.277 4.350 0.063 0.000 0.195 387 E C 1.629 178.023 176.600 -0.344 0.000 0.992 387 E CA 1.473 57.679 56.400 -0.324 0.000 0.804 387 E CB -0.148 29.353 29.700 -0.332 0.000 0.741 387 E HN 0.491 nan 8.360 nan 0.000 0.458 388 Q N -0.410 119.125 119.800 -0.441 0.000 2.403 388 Q HA 0.243 4.620 4.340 0.063 0.000 0.203 388 Q C -0.099 175.782 176.000 -0.199 0.000 0.932 388 Q CA 0.184 55.787 55.803 -0.332 0.000 0.945 388 Q CB 0.526 29.054 28.738 -0.350 0.000 1.045 388 Q HN 0.213 nan 8.270 nan 0.000 0.511 389 A N 1.063 123.788 122.820 -0.158 0.000 2.462 389 A HA 0.505 4.863 4.320 0.063 0.000 0.243 389 A C -0.212 177.275 177.584 -0.162 0.000 1.076 389 A CA 0.051 51.979 52.037 -0.182 0.000 0.773 389 A CB 0.332 19.293 19.000 -0.066 0.000 1.010 389 A HN 0.261 nan 8.150 nan 0.000 0.493 390 A N 2.181 124.853 122.820 -0.247 0.000 2.319 390 A HA 0.723 5.080 4.320 0.063 0.000 0.310 390 A C -0.830 176.634 177.584 -0.199 0.000 1.152 390 A CA -0.404 51.551 52.037 -0.137 0.000 0.783 390 A CB 0.359 19.283 19.000 -0.126 0.000 1.184 390 A HN 0.650 nan 8.150 nan 0.000 0.474 391 F N 0.894 120.850 119.950 0.010 0.000 2.492 391 F HA 0.653 5.218 4.527 0.062 0.000 0.327 391 F C 0.278 176.041 175.800 -0.061 0.000 1.079 391 F CA -0.103 57.872 58.000 -0.041 0.000 0.967 391 F CB 2.117 41.038 39.000 -0.131 0.000 1.169 391 F HN 0.760 nan 8.300 nan 0.000 0.472 392 H N 3.201 122.122 119.070 -0.248 0.000 3.099 392 H HA 0.279 4.878 4.556 0.071 0.000 0.342 392 H C -2.455 172.480 175.328 -0.655 0.000 1.054 392 H CA -1.711 53.943 56.048 -0.656 0.000 1.328 392 H CB 2.741 32.052 29.762 -0.752 0.000 1.876 392 H HN 0.185 nan 8.280 nan 0.000 0.495 393 P HA 0.005 nan 4.420 nan 0.000 0.230 393 P C 1.127 178.303 177.300 -0.207 0.000 1.158 393 P CA 1.218 63.995 63.100 -0.537 0.000 0.769 393 P CB 0.156 31.595 31.700 -0.435 0.000 0.807 394 G N -1.006 107.500 108.800 -0.491 0.000 2.679 394 G HA2 -0.145 3.853 3.960 0.063 0.000 0.212 394 G HA3 -0.145 3.853 3.960 0.063 0.000 0.212 394 G C 0.402 175.534 174.900 0.386 0.000 1.137 394 G CA -0.015 45.178 45.100 0.155 0.000 0.787 394 G HN 0.438 nan 8.290 nan 0.000 0.534 395 H N 0.683 119.883 119.070 0.216 0.000 3.118 395 H HA 0.353 4.944 4.556 0.057 0.000 0.266 395 H C 0.542 175.979 175.328 0.181 0.000 1.465 395 H CA -0.775 55.358 56.048 0.141 0.000 1.460 395 H CB 0.062 29.867 29.762 0.072 0.000 1.661 395 H HN 0.365 nan 8.280 nan 0.000 0.516 396 I N -0.159 120.548 120.570 0.228 0.000 3.217 396 I HA 0.699 4.906 4.170 0.063 0.000 0.308 396 I C -0.152 175.956 176.117 -0.014 0.000 1.091 396 I CA -1.368 59.990 61.300 0.098 0.000 1.013 396 I CB 1.873 39.804 38.000 -0.115 0.000 1.250 396 I HN 0.146 nan 8.210 nan 0.000 0.496 397 V N -2.322 117.565 119.914 -0.045 0.000 3.141 397 V HA 0.681 4.838 4.120 0.063 0.000 0.312 397 V C -2.850 173.358 176.094 0.190 0.000 1.157 397 V CA -2.548 59.791 62.300 0.066 0.000 1.041 397 V CB 0.984 32.823 31.823 0.026 0.000 1.071 397 V HN 0.628 nan 8.190 nan 0.000 0.441 398 P HA 0.356 nan 4.420 nan 0.000 0.262 398 P C 0.897 178.193 177.300 -0.006 0.000 1.182 398 P CA 2.061 65.227 63.100 0.111 0.000 0.761 398 P CB 0.655 32.398 31.700 0.070 0.000 0.795 399 G N 1.720 110.469 108.800 -0.086 0.000 2.213 399 G HA2 -0.173 3.825 3.960 0.063 0.000 0.226 399 G HA3 -0.173 3.825 3.960 0.063 0.000 0.226 399 G C -0.230 174.583 174.900 -0.146 0.000 0.992 399 G CA -0.377 44.654 45.100 -0.115 0.000 0.632 399 G HN 0.449 nan 8.290 nan 0.000 0.511 400 L N 0.052 121.200 121.223 -0.124 0.000 2.323 400 L HA 0.921 5.298 4.340 0.063 0.000 0.265 400 L C -0.439 176.369 176.870 -0.103 0.000 1.012 400 L CA -1.071 53.675 54.840 -0.157 0.000 0.820 400 L CB 2.034 43.926 42.059 -0.277 0.000 1.334 400 L HN 0.088 nan 8.230 nan 0.000 0.427 401 D N -0.527 119.794 120.400 -0.131 0.000 2.665 401 D HA 0.481 5.158 4.640 0.063 0.000 0.287 401 D C -1.253 174.977 176.300 -0.117 0.000 1.266 401 D CA -0.352 53.531 54.000 -0.196 0.000 0.830 401 D CB 1.948 42.717 40.800 -0.051 0.000 1.356 401 D HN 0.123 nan 8.370 nan 0.000 0.437 402 F N -0.252 119.832 119.950 0.224 0.000 2.364 402 F HA 0.519 5.084 4.527 0.064 0.000 0.316 402 F C 1.474 177.305 175.800 0.052 0.000 1.133 402 F CA -0.298 57.773 58.000 0.118 0.000 1.051 402 F CB 1.280 40.316 39.000 0.061 0.000 1.342 402 F HN 0.201 nan 8.300 nan 0.000 0.507 403 T N -3.133 111.526 114.554 0.174 0.000 2.773 403 T HA 0.313 4.700 4.350 0.063 0.000 0.278 403 T C -0.059 174.677 174.700 0.061 0.000 1.011 403 T CA -0.977 61.202 62.100 0.131 0.000 1.014 403 T CB 1.121 70.035 68.868 0.076 0.000 1.293 403 T HN 0.347 nan 8.240 nan 0.000 0.554 404 N N 1.363 120.101 118.700 0.063 0.000 2.362 404 N HA 0.080 4.857 4.740 0.063 0.000 0.204 404 N C -0.062 175.453 175.510 0.009 0.000 1.166 404 N CA 0.008 53.076 53.050 0.031 0.000 0.831 404 N CB -0.421 38.100 38.487 0.056 0.000 1.008 404 N HN 0.681 nan 8.380 nan 0.000 0.472 405 D N 2.008 122.393 120.400 -0.026 0.000 2.581 405 D HA -0.060 4.617 4.640 0.063 0.000 0.238 405 D C -1.476 174.811 176.300 -0.023 0.000 1.145 405 D CA -0.969 53.037 54.000 0.010 0.000 0.866 405 D CB 1.361 42.109 40.800 -0.087 0.000 1.151 405 D HN 0.135 nan 8.370 nan 0.000 0.500 406 P HA -0.058 nan 4.420 nan 0.000 0.236 406 P C 1.453 178.763 177.300 0.016 0.000 1.177 406 P CA 0.030 63.142 63.100 0.021 0.000 0.773 406 P CB 0.474 32.190 31.700 0.027 0.000 0.878 407 L N -0.170 121.077 121.223 0.039 0.000 2.102 407 L HA 0.023 4.401 4.340 0.063 0.000 0.202 407 L C 2.331 179.105 176.870 -0.160 0.000 1.076 407 L CA 1.215 56.069 54.840 0.024 0.000 0.761 407 L CB -1.540 40.616 42.059 0.162 0.000 0.921 407 L HN -0.180 nan 8.230 nan 0.000 0.444 408 L N -0.477 120.468 121.223 -0.464 0.000 2.042 408 L HA -0.239 4.138 4.340 0.063 0.000 0.210 408 L C 2.450 179.059 176.870 -0.434 0.000 1.076 408 L CA 1.813 56.173 54.840 -0.801 0.000 0.749 408 L CB -0.895 40.450 42.059 -1.191 0.000 0.893 408 L HN 0.380 nan 8.230 nan 0.000 0.432 409 Q N -0.200 119.421 119.800 -0.298 0.000 2.096 409 Q HA -0.160 4.217 4.340 0.063 0.000 0.204 409 Q C 2.117 178.031 176.000 -0.144 0.000 0.982 409 Q CA 1.810 57.481 55.803 -0.220 0.000 0.850 409 Q CB -0.809 27.853 28.738 -0.128 0.000 0.901 409 Q HN 0.706 nan 8.270 nan 0.000 0.422 410 G N 0.455 109.201 108.800 -0.090 0.000 2.421 410 G HA2 -0.214 3.783 3.960 0.063 0.000 0.217 410 G HA3 -0.214 3.783 3.960 0.063 0.000 0.217 410 G C 1.519 176.433 174.900 0.024 0.000 1.143 410 G CA 0.178 45.271 45.100 -0.012 0.000 0.784 410 G HN 0.249 nan 8.290 nan 0.000 0.541 411 R N -0.131 120.331 120.500 -0.063 0.000 2.127 411 R HA 0.036 4.414 4.340 0.063 0.000 0.238 411 R C 2.438 178.801 176.300 0.105 0.000 1.134 411 R CA 0.803 56.920 56.100 0.029 0.000 0.975 411 R CB -0.420 29.841 30.300 -0.065 0.000 0.865 411 R HN 0.355 nan 8.270 nan 0.000 0.447 412 L N -0.380 120.802 121.223 -0.068 0.000 2.265 412 L HA -0.166 4.212 4.340 0.063 0.000 0.215 412 L C 2.162 179.168 176.870 0.227 0.000 1.117 412 L CA 0.847 55.671 54.840 -0.026 0.000 0.782 412 L CB -0.428 41.467 42.059 -0.272 0.000 0.914 412 L HN 0.147 nan 8.230 nan 0.000 0.441 413 F N 0.194 120.181 119.950 0.062 0.000 2.128 413 F HA -0.178 4.370 4.527 0.036 0.000 0.295 413 F C 2.762 178.616 175.800 0.089 0.000 1.100 413 F CA 1.589 59.625 58.000 0.059 0.000 1.260 413 F CB -0.196 38.813 39.000 0.015 0.000 1.009 413 F HN -0.046 nan 8.300 nan 0.000 0.476 414 S N -0.871 114.844 115.700 0.025 0.000 2.371 414 S HA -0.194 4.314 4.470 0.063 0.000 0.224 414 S C 1.992 176.468 174.600 -0.206 0.000 1.029 414 S CA 1.250 59.348 58.200 -0.171 0.000 0.978 414 S CB -0.768 62.365 63.200 -0.111 0.000 0.833 414 S HN 0.530 nan 8.310 nan 0.000 0.466 415 Y N 1.847 122.177 120.300 0.050 0.000 2.509 415 Y HA -0.022 4.562 4.550 0.058 0.000 0.293 415 Y C 2.907 178.524 175.900 -0.471 0.000 1.133 415 Y CA 1.225 59.380 58.100 0.093 0.000 1.283 415 Y CB -0.373 39.096 38.460 1.682 0.000 1.001 415 Y HN 0.508 nan 8.280 nan 0.000 0.555 416 T N -3.402 110.819 114.554 -0.554 0.000 2.976 416 T HA -0.099 4.289 4.350 0.063 0.000 0.257 416 T C 1.500 176.009 174.700 -0.319 0.000 1.051 416 T CA 0.992 62.844 62.100 -0.415 0.000 1.141 416 T CB -0.366 68.326 68.868 -0.294 0.000 0.881 416 T HN 0.190 nan 8.240 nan 0.000 0.461 417 D N 1.629 121.776 120.400 -0.422 0.000 2.092 417 D HA -0.147 4.531 4.640 0.063 0.000 0.193 417 D C 2.266 178.412 176.300 -0.256 0.000 0.994 417 D CA 1.904 55.672 54.000 -0.386 0.000 0.828 417 D CB -0.834 39.562 40.800 -0.674 0.000 0.963 417 D HN 0.355 nan 8.370 nan 0.000 0.450 418 T N -0.967 113.426 114.554 -0.268 0.000 2.881 418 T HA -0.126 4.262 4.350 0.063 0.000 0.270 418 T C 1.558 176.134 174.700 -0.208 0.000 1.068 418 T CA 1.087 63.069 62.100 -0.197 0.000 1.131 418 T CB -0.183 68.565 68.868 -0.200 0.000 0.871 418 T HN 0.148 nan 8.240 nan 0.000 0.479 419 Q N 0.565 120.167 119.800 -0.330 0.000 2.297 419 Q HA 0.047 4.425 4.340 0.063 0.000 0.204 419 Q C 2.235 178.120 176.000 -0.191 0.000 0.962 419 Q CA 0.521 56.079 55.803 -0.408 0.000 0.879 419 Q CB -0.366 27.726 28.738 -1.076 0.000 0.947 419 Q HN 0.511 nan 8.270 nan 0.000 0.462 420 I N 1.136 121.650 120.570 -0.095 0.000 2.264 420 I HA -0.239 3.969 4.170 0.063 0.000 0.248 420 I C 2.338 178.467 176.117 0.019 0.000 1.111 420 I CA 1.852 63.161 61.300 0.016 0.000 1.382 420 I CB -1.451 36.561 38.000 0.021 0.000 1.060 420 I HN 0.203 nan 8.210 nan 0.000 0.418 421 S N 0.384 116.077 115.700 -0.012 0.000 2.404 421 S HA -0.080 4.427 4.470 0.063 0.000 0.223 421 S C 2.186 176.787 174.600 0.002 0.000 1.040 421 S CA 0.238 58.443 58.200 0.007 0.000 0.957 421 S CB -0.370 62.834 63.200 0.006 0.000 0.826 421 S HN 0.318 nan 8.310 nan 0.000 0.491 422 R N 0.828 121.306 120.500 -0.036 0.000 2.081 422 R HA 0.161 4.538 4.340 0.063 0.000 0.235 422 R C 1.484 177.771 176.300 -0.022 0.000 1.131 422 R CA 1.460 57.539 56.100 -0.033 0.000 0.960 422 R CB -0.228 30.027 30.300 -0.075 0.000 0.856 422 R HN 0.462 nan 8.270 nan 0.000 0.436 423 L N -1.179 120.022 121.223 -0.036 0.000 2.808 423 L HA 0.335 4.713 4.340 0.063 0.000 0.246 423 L C 0.847 177.751 176.870 0.056 0.000 1.153 423 L CA 0.317 55.149 54.840 -0.013 0.000 0.956 423 L CB 1.233 43.273 42.059 -0.033 0.000 1.270 423 L HN 0.566 nan 8.230 nan 0.000 0.528 424 G N -0.091 108.767 108.800 0.097 0.000 2.175 424 G HA2 -0.095 3.902 3.960 0.063 0.000 0.244 424 G HA3 -0.095 3.902 3.960 0.063 0.000 0.244 424 G C 0.429 175.477 174.900 0.247 0.000 0.982 424 G CA -0.070 45.147 45.100 0.195 0.000 0.641 424 G HN 0.763 nan 8.290 nan 0.000 0.527 425 G N -1.444 107.486 108.800 0.217 0.000 2.345 425 G HA2 0.597 4.594 3.960 0.063 0.000 0.285 425 G HA3 0.597 4.594 3.960 0.063 0.000 0.285 425 G C -2.303 172.759 174.900 0.270 0.000 1.297 425 G CA 0.429 45.651 45.100 0.203 0.000 0.875 425 G HN 0.475 nan 8.290 nan 0.000 0.506 426 P HA 0.146 nan 4.420 nan 0.000 0.255 426 P C 0.272 177.594 177.300 0.037 0.000 1.248 426 P CA 0.294 63.506 63.100 0.186 0.000 0.807 426 P CB 0.217 31.980 31.700 0.104 0.000 1.150 427 N N 0.464 119.194 118.700 0.050 0.000 2.327 427 N HA 0.056 4.833 4.740 0.063 0.000 0.231 427 N C 1.056 176.409 175.510 -0.262 0.000 1.130 427 N CA -0.137 52.828 53.050 -0.141 0.000 0.845 427 N CB -0.599 37.842 38.487 -0.076 0.000 1.073 427 N HN 0.269 nan 8.380 nan 0.000 0.496 428 F N 0.822 120.754 119.950 -0.030 0.000 2.333 428 F HA -0.091 4.463 4.527 0.046 0.000 0.300 428 F C 2.216 177.942 175.800 -0.123 0.000 1.083 428 F CA 0.800 58.753 58.000 -0.078 0.000 1.395 428 F CB -0.793 38.185 39.000 -0.038 0.000 1.056 428 F HN 0.178 nan 8.300 nan 0.000 0.529 429 H N 0.345 119.054 119.070 -0.602 0.000 2.546 429 H HA 0.079 4.671 4.556 0.060 0.000 0.277 429 H C 0.780 175.951 175.328 -0.262 0.000 1.004 429 H CA 1.289 57.075 56.048 -0.437 0.000 1.231 429 H CB -0.720 28.644 29.762 -0.663 0.000 1.382 429 H HN 0.533 nan 8.280 nan 0.000 0.580 430 E N 0.959 120.737 120.200 -0.704 0.000 2.479 430 E HA 0.196 4.583 4.350 0.063 0.000 0.193 430 E C 0.287 176.765 176.600 -0.204 0.000 1.049 430 E CA -0.298 55.861 56.400 -0.401 0.000 0.870 430 E CB 0.584 30.049 29.700 -0.392 0.000 0.944 430 E HN 0.432 nan 8.360 nan 0.000 0.492 431 I N 2.603 123.075 120.570 -0.164 0.000 2.618 431 I HA -0.040 4.168 4.170 0.063 0.000 0.284 431 I C -1.555 174.500 176.117 -0.104 0.000 1.146 431 I CA -1.453 59.783 61.300 -0.106 0.000 1.425 431 I CB 0.627 38.579 38.000 -0.080 0.000 1.383 431 I HN -0.207 nan 8.210 nan 0.000 0.562 432 P HA -0.220 nan 4.420 nan 0.000 0.215 432 P C 1.750 178.975 177.300 -0.125 0.000 1.157 432 P CA 1.185 64.225 63.100 -0.099 0.000 0.874 432 P CB 0.180 31.829 31.700 -0.086 0.000 0.790 433 I N -0.557 119.912 120.570 -0.168 0.000 2.423 433 I HA -0.208 3.999 4.170 0.063 0.000 0.254 433 I C 1.292 177.333 176.117 -0.127 0.000 1.151 433 I CA 1.711 62.864 61.300 -0.245 0.000 1.421 433 I CB -0.619 37.123 38.000 -0.430 0.000 1.079 433 I HN -0.093 nan 8.210 nan 0.000 0.431 434 N N 0.528 119.172 118.700 -0.094 0.000 2.412 434 N HA 0.048 4.826 4.740 0.063 0.000 0.184 434 N C 0.284 175.801 175.510 0.011 0.000 1.101 434 N CA 0.182 53.207 53.050 -0.042 0.000 0.881 434 N CB -0.066 38.414 38.487 -0.012 0.000 0.969 434 N HN 0.369 nan 8.380 nan 0.000 0.459 435 R N 1.606 122.108 120.500 0.004 0.000 2.537 435 R HA 0.162 4.539 4.340 0.063 0.000 0.280 435 R C -2.203 174.155 176.300 0.096 0.000 1.058 435 R CA -1.220 54.884 56.100 0.006 0.000 1.057 435 R CB -0.077 30.213 30.300 -0.017 0.000 0.973 435 R HN 0.022 nan 8.270 nan 0.000 0.438 436 P HA -0.029 nan 4.420 nan 0.000 0.270 436 P C 0.508 177.877 177.300 0.114 0.000 1.223 436 P CA 0.098 63.276 63.100 0.130 0.000 0.785 436 P CB 0.626 32.361 31.700 0.059 0.000 0.923 437 T N -3.063 111.571 114.554 0.133 0.000 3.040 437 T HA 0.089 4.477 4.350 0.063 0.000 0.250 437 T C 0.882 175.624 174.700 0.070 0.000 1.058 437 T CA -0.075 62.059 62.100 0.057 0.000 0.988 437 T CB -1.052 67.828 68.868 0.020 0.000 0.993 437 T HN 0.578 nan 8.240 nan 0.000 0.519 438 C N 1.111 120.468 119.300 0.095 0.000 2.396 438 C HA 0.757 5.254 4.460 0.063 0.000 0.359 438 C C -2.435 172.611 174.990 0.093 0.000 1.307 438 C CA -2.373 56.699 59.018 0.090 0.000 2.392 438 C CB -0.106 27.693 27.740 0.099 0.000 2.245 438 C HN 0.156 nan 8.230 nan 0.000 0.615 439 P HA 0.332 nan 4.420 nan 0.000 0.271 439 P C -1.274 176.090 177.300 0.106 0.000 1.218 439 P CA 0.361 63.522 63.100 0.102 0.000 0.780 439 P CB 0.049 31.858 31.700 0.181 0.000 0.901 440 Y N 0.672 120.845 120.300 -0.211 0.000 2.396 440 Y HA 0.645 5.232 4.550 0.062 0.000 0.332 440 Y C -1.514 174.065 175.900 -0.535 0.000 1.034 440 Y CA -0.867 57.099 58.100 -0.223 0.000 1.057 440 Y CB 1.304 39.659 38.460 -0.176 0.000 1.220 440 Y HN 0.448 nan 8.280 nan 0.000 0.440 441 H N 3.857 122.799 119.070 -0.213 0.000 2.947 441 H HA 0.553 5.147 4.556 0.063 0.000 0.354 441 H C -1.148 174.052 175.328 -0.215 0.000 1.085 441 H CA -0.741 55.099 56.048 -0.347 0.000 1.253 441 H CB 1.722 31.326 29.762 -0.263 0.000 1.757 441 H HN 0.899 nan 8.280 nan 0.000 0.523 442 N N 0.441 119.022 118.700 -0.198 0.000 3.449 442 N HA 0.162 4.939 4.740 0.063 0.000 0.312 442 N C -1.277 174.000 175.510 -0.389 0.000 1.557 442 N CA -0.911 51.978 53.050 -0.268 0.000 0.864 442 N CB 0.573 39.069 38.487 0.015 0.000 1.799 442 N HN 0.315 nan 8.380 nan 0.000 0.554 443 F N -0.293 119.697 119.950 0.067 0.000 2.639 443 F HA 0.379 4.939 4.527 0.056 0.000 0.302 443 F C 0.563 176.404 175.800 0.068 0.000 1.097 443 F CA -0.320 57.714 58.000 0.056 0.000 1.294 443 F CB 0.248 39.276 39.000 0.047 0.000 1.027 443 F HN 0.152 nan 8.300 nan 0.000 0.550 444 Q N 1.272 121.178 119.800 0.176 0.000 2.340 444 Q HA 0.471 4.848 4.340 0.063 0.000 0.249 444 Q C 0.027 176.103 176.000 0.127 0.000 0.957 444 Q CA -0.181 55.708 55.803 0.143 0.000 0.882 444 Q CB 1.108 29.907 28.738 0.102 0.000 1.235 444 Q HN 0.080 nan 8.270 nan 0.000 0.439 445 R N 1.347 121.915 120.500 0.113 0.000 2.764 445 R HA 0.333 4.711 4.340 0.063 0.000 0.270 445 R C -0.789 175.558 176.300 0.078 0.000 1.014 445 R CA -0.646 55.513 56.100 0.097 0.000 0.904 445 R CB 1.154 31.513 30.300 0.098 0.000 1.236 445 R HN 0.726 nan 8.270 nan 0.000 0.466 446 D N -0.157 120.282 120.400 0.065 0.000 3.369 446 D HA -0.161 4.517 4.640 0.063 0.000 0.217 446 D C 0.331 176.658 176.300 0.045 0.000 1.532 446 D CA 2.055 56.082 54.000 0.047 0.000 1.126 446 D CB -1.055 39.770 40.800 0.042 0.000 0.683 446 D HN 0.922 nan 8.370 nan 0.000 0.827 447 G N -1.314 107.505 108.800 0.031 0.000 2.716 447 G HA2 0.160 4.157 3.960 0.063 0.000 0.686 447 G HA3 0.160 4.157 3.960 0.063 0.000 0.686 447 G C -0.186 174.713 174.900 -0.002 0.000 1.337 447 G CA 0.089 45.205 45.100 0.026 0.000 0.829 447 G HN 0.782 nan 8.290 nan 0.000 0.599 448 M N 2.327 121.906 119.600 -0.036 0.000 2.252 448 M HA 0.389 4.907 4.480 0.063 0.000 0.329 448 M C 1.373 177.611 176.300 -0.104 0.000 1.101 448 M CA 0.893 56.090 55.300 -0.172 0.000 1.117 448 M CB -0.424 31.997 32.600 -0.298 0.000 1.563 448 M HN 1.181 nan 8.290 nan 0.000 0.445 449 H N 0.425 119.499 119.070 0.007 0.000 2.826 449 H HA -0.159 4.434 4.556 0.060 0.000 0.306 449 H C -0.420 174.898 175.328 -0.018 0.000 1.235 449 H CA 0.688 56.736 56.048 -0.002 0.000 1.150 449 H CB -1.825 27.938 29.762 0.002 0.000 1.409 449 H HN 0.598 nan 8.280 nan 0.000 0.420 450 R N 1.219 121.753 120.500 0.057 0.000 2.316 450 R HA 0.157 4.534 4.340 0.063 0.000 0.314 450 R C 1.306 177.621 176.300 0.025 0.000 1.069 450 R CA -0.167 55.954 56.100 0.034 0.000 0.959 450 R CB 0.342 30.660 30.300 0.029 0.000 0.987 450 R HN 0.123 nan 8.270 nan 0.000 0.446 451 M N 2.380 121.984 119.600 0.005 0.000 2.429 451 M HA 0.226 4.744 4.480 0.063 0.000 0.265 451 M C 0.930 177.230 176.300 0.001 0.000 1.120 451 M CA 0.893 56.192 55.300 -0.001 0.000 1.173 451 M CB -0.697 31.888 32.600 -0.025 0.000 1.343 451 M HN 0.684 nan 8.290 nan 0.000 0.464 452 G N 1.760 110.564 108.800 0.007 0.000 2.378 452 G HA2 0.434 4.431 3.960 0.063 0.000 0.255 452 G HA3 0.434 4.431 3.960 0.063 0.000 0.255 452 G C -0.410 174.491 174.900 0.001 0.000 1.270 452 G CA -0.406 44.695 45.100 0.002 0.000 0.876 452 G HN 0.296 nan 8.290 nan 0.000 0.521 453 I N 2.803 123.367 120.570 -0.010 0.000 2.306 453 I HA 0.107 4.314 4.170 0.063 0.000 0.288 453 I C -0.294 175.817 176.117 -0.011 0.000 1.036 453 I CA -0.556 60.742 61.300 -0.003 0.000 1.221 453 I CB 1.010 39.009 38.000 -0.003 0.000 1.385 453 I HN 0.347 nan 8.210 nan 0.000 0.472 454 D N 4.735 125.133 120.400 -0.003 0.000 2.351 454 D HA 0.076 4.753 4.640 0.063 0.000 0.251 454 D C 1.165 177.467 176.300 0.003 0.000 1.137 454 D CA 0.242 54.237 54.000 -0.008 0.000 0.879 454 D CB 1.854 42.656 40.800 0.003 0.000 1.181 454 D HN 0.569 nan 8.370 nan 0.000 0.448 455 T N -0.916 113.636 114.554 -0.004 0.000 3.040 455 T HA -0.048 4.339 4.350 0.063 0.000 0.250 455 T C 0.855 175.564 174.700 0.014 0.000 1.058 455 T CA -0.531 61.571 62.100 0.003 0.000 0.988 455 T CB 0.190 69.053 68.868 -0.008 0.000 0.993 455 T HN 0.125 nan 8.240 nan 0.000 0.519 456 N N 3.541 122.249 118.700 0.015 0.000 2.411 456 N HA 0.069 4.847 4.740 0.063 0.000 0.261 456 N C -1.453 174.094 175.510 0.062 0.000 1.248 456 N CA -1.426 51.646 53.050 0.036 0.000 0.885 456 N CB 1.433 39.943 38.487 0.038 0.000 1.062 456 N HN 0.103 nan 8.380 nan 0.000 0.471 457 P HA -0.007 nan 4.420 nan 0.000 0.222 457 P C -0.397 176.959 177.300 0.094 0.000 1.147 457 P CA 0.709 63.852 63.100 0.072 0.000 0.790 457 P CB 0.189 31.927 31.700 0.063 0.000 0.780 458 A N 1.152 124.016 122.820 0.073 0.000 2.301 458 A HA 0.373 4.731 4.320 0.063 0.000 0.312 458 A C 0.560 178.240 177.584 0.160 0.000 1.182 458 A CA -0.664 51.367 52.037 -0.010 0.000 0.826 458 A CB -0.201 18.639 19.000 -0.266 0.000 1.134 458 A HN 0.292 nan 8.150 nan 0.000 0.501 459 N N 0.489 119.317 118.700 0.212 0.000 2.416 459 N HA 0.395 5.172 4.740 0.063 0.000 0.267 459 N C -0.905 174.764 175.510 0.265 0.000 1.294 459 N CA -0.400 52.861 53.050 0.351 0.000 0.891 459 N CB 0.284 38.932 38.487 0.268 0.000 1.238 459 N HN 0.686 nan 8.380 nan 0.000 0.508 460 Y N -1.340 118.818 120.300 -0.235 0.000 2.638 460 Y HA 0.656 5.241 4.550 0.058 0.000 0.335 460 Y C -1.515 173.744 175.900 -1.068 0.000 1.155 460 Y CA -1.410 56.362 58.100 -0.546 0.000 1.046 460 Y CB 0.930 39.246 38.460 -0.239 0.000 1.303 460 Y HN 0.085 nan 8.280 nan 0.000 0.460 461 E N 0.637 120.343 120.200 -0.824 0.000 2.383 461 E HA 0.661 5.049 4.350 0.063 0.000 0.275 461 E C -3.182 173.316 176.600 -0.170 0.000 0.918 461 E CA -2.035 54.000 56.400 -0.609 0.000 0.764 461 E CB 1.749 31.034 29.700 -0.691 0.000 1.252 461 E HN 0.573 nan 8.360 nan 0.000 0.449 462 P HA 0.279 nan 4.420 nan 0.000 0.275 462 P C -1.290 175.972 177.300 -0.064 0.000 1.228 462 P CA -0.459 62.578 63.100 -0.105 0.000 0.786 462 P CB 0.538 32.208 31.700 -0.050 0.000 0.927 463 N N -1.277 117.308 118.700 -0.191 0.000 2.229 463 N HA 0.321 5.098 4.740 0.063 0.000 0.298 463 N C 0.387 175.852 175.510 -0.076 0.000 1.114 463 N CA -0.771 52.176 53.050 -0.171 0.000 0.776 463 N CB 1.500 39.602 38.487 -0.643 0.000 1.501 463 N HN 0.196 nan 8.380 nan 0.000 0.474 464 S N 0.839 116.540 115.700 0.001 0.000 2.492 464 S HA -0.027 4.480 4.470 0.063 0.000 0.218 464 S C 1.553 176.165 174.600 0.020 0.000 1.016 464 S CA 0.103 58.306 58.200 0.005 0.000 0.916 464 S CB -0.795 62.420 63.200 0.025 0.000 0.791 464 S HN 0.719 nan 8.310 nan 0.000 0.513 465 I N -0.820 119.768 120.570 0.031 0.000 2.830 465 I HA 0.228 4.435 4.170 0.063 0.000 0.263 465 I C 1.254 177.401 176.117 0.050 0.000 1.230 465 I CA 1.191 62.521 61.300 0.050 0.000 1.480 465 I CB -0.377 37.671 38.000 0.080 0.000 1.095 465 I HN 0.170 nan 8.210 nan 0.000 0.455 466 N N 1.230 119.957 118.700 0.044 0.000 2.351 466 N HA 0.039 4.817 4.740 0.063 0.000 0.254 466 N C -0.072 175.546 175.510 0.179 0.000 1.241 466 N CA -0.048 53.070 53.050 0.113 0.000 0.883 466 N CB 0.013 38.578 38.487 0.129 0.000 1.202 466 N HN 0.197 nan 8.380 nan 0.000 0.512 467 D N 0.812 121.263 120.400 0.086 0.000 2.751 467 D HA -0.262 4.416 4.640 0.063 0.000 0.233 467 D C -0.151 176.038 176.300 -0.184 0.000 1.149 467 D CA 1.072 55.086 54.000 0.022 0.000 0.682 467 D CB -1.316 39.579 40.800 0.159 0.000 1.068 467 D HN 0.489 nan 8.370 nan 0.000 0.429 468 N N -1.711 116.912 118.700 -0.128 0.000 2.800 468 N HA -0.241 4.537 4.740 0.063 0.000 0.250 468 N C -0.810 174.604 175.510 -0.159 0.000 1.078 468 N CA 1.355 54.295 53.050 -0.184 0.000 0.804 468 N CB -1.350 36.983 38.487 -0.258 0.000 1.135 468 N HN 0.535 nan 8.380 nan 0.000 0.565 469 W N 0.909 122.257 121.300 0.080 0.000 2.375 469 W HA 0.462 5.158 4.660 0.061 0.000 0.336 469 W C -1.644 174.912 176.519 0.061 0.000 1.160 469 W CA -1.644 55.728 57.345 0.045 0.000 1.266 469 W CB 0.623 30.061 29.460 -0.036 0.000 1.195 469 W HN -0.046 nan 8.180 nan 0.000 0.599 470 P HA 0.184 nan 4.420 nan 0.000 0.274 470 P C -0.708 176.716 177.300 0.206 0.000 1.231 470 P CA -0.113 63.117 63.100 0.216 0.000 0.790 470 P CB 0.919 32.590 31.700 -0.050 0.000 0.951 471 R N 1.028 121.631 120.500 0.173 0.000 2.598 471 R HA 0.323 4.701 4.340 0.063 0.000 0.279 471 R C 0.410 176.742 176.300 0.053 0.000 0.984 471 R CA -0.800 55.285 56.100 -0.024 0.000 0.999 471 R CB 1.045 31.112 30.300 -0.388 0.000 1.114 471 R HN 0.489 nan 8.270 nan 0.000 0.493 472 E N 0.619 120.839 120.200 0.033 0.000 2.422 472 E HA 0.033 4.421 4.350 0.063 0.000 0.260 472 E C -0.538 176.085 176.600 0.038 0.000 1.108 472 E CA 0.636 57.067 56.400 0.052 0.000 0.943 472 E CB 0.699 30.419 29.700 0.034 0.000 0.961 472 E HN 0.349 nan 8.360 nan 0.000 0.443 473 T N 3.357 117.945 114.554 0.057 0.000 2.879 473 T HA 0.325 4.713 4.350 0.063 0.000 0.290 473 T C -2.444 172.281 174.700 0.041 0.000 0.993 473 T CA -1.528 60.603 62.100 0.053 0.000 0.975 473 T CB 1.458 70.370 68.868 0.073 0.000 0.981 473 T HN 0.252 nan 8.240 nan 0.000 0.439 474 P HA 0.224 nan 4.420 nan 0.000 0.268 474 P C -2.480 174.826 177.300 0.010 0.000 1.208 474 P CA -1.196 61.912 63.100 0.014 0.000 0.777 474 P CB -0.386 31.317 31.700 0.005 0.000 0.875 475 P HA 0.308 nan 4.420 nan 0.000 0.272 475 P C 0.025 177.313 177.300 -0.020 0.000 1.230 475 P CA 0.328 63.413 63.100 -0.025 0.000 0.788 475 P CB 0.690 32.355 31.700 -0.060 0.000 0.949 476 G N 0.567 109.353 108.800 -0.022 0.000 2.489 476 G HA2 0.370 4.368 3.960 0.063 0.000 0.305 476 G HA3 0.370 4.368 3.960 0.063 0.000 0.305 476 G C -2.599 172.289 174.900 -0.019 0.000 1.311 476 G CA -0.680 44.410 45.100 -0.016 0.000 0.813 476 G HN 0.092 nan 8.290 nan 0.000 0.480 477 P HA 0.135 nan 4.420 nan 0.000 0.219 477 P C 0.130 177.425 177.300 -0.008 0.000 1.150 477 P CA 1.146 64.237 63.100 -0.015 0.000 0.814 477 P CB 0.153 31.847 31.700 -0.010 0.000 0.787 478 K N -2.051 118.351 120.400 0.003 0.000 2.532 478 K HA 0.417 4.775 4.320 0.063 0.000 0.265 478 K C -0.228 176.388 176.600 0.026 0.000 0.948 478 K CA -0.894 55.402 56.287 0.015 0.000 0.842 478 K CB 1.833 34.343 32.500 0.018 0.000 1.392 478 K HN -0.377 nan 8.250 nan 0.000 0.436 479 R N -0.637 119.887 120.500 0.039 0.000 3.863 479 R HA -0.141 4.236 4.340 0.063 0.000 0.313 479 R C 0.008 176.339 176.300 0.051 0.000 1.202 479 R CA 1.058 57.188 56.100 0.051 0.000 0.852 479 R CB -2.264 28.065 30.300 0.048 0.000 1.292 479 R HN 0.974 nan 8.270 nan 0.000 0.519 480 G N -0.690 108.134 108.800 0.041 0.000 2.502 480 G HA2 0.579 4.577 3.960 0.063 0.000 0.305 480 G HA3 0.579 4.577 3.960 0.063 0.000 0.305 480 G C 0.389 175.322 174.900 0.055 0.000 1.190 480 G CA 0.111 45.233 45.100 0.036 0.000 0.933 480 G HN 0.244 nan 8.290 nan 0.000 0.503 481 G N -1.181 107.652 108.800 0.056 0.000 2.527 481 G HA2 0.394 4.391 3.960 0.063 0.000 0.248 481 G HA3 0.394 4.391 3.960 0.063 0.000 0.248 481 G C -0.554 174.397 174.900 0.085 0.000 1.231 481 G CA -0.531 44.624 45.100 0.091 0.000 0.838 481 G HN 0.457 nan 8.290 nan 0.000 0.570 482 F N 0.554 120.521 119.950 0.028 0.000 2.495 482 F HA 0.357 4.924 4.527 0.067 0.000 0.365 482 F C 0.597 176.413 175.800 0.026 0.000 1.090 482 F CA -0.070 57.943 58.000 0.021 0.000 1.235 482 F CB 0.830 39.846 39.000 0.027 0.000 1.119 482 F HN 0.468 nan 8.300 nan 0.000 0.562 483 E N 3.911 123.723 120.200 -0.646 0.000 2.272 483 E HA 0.330 4.717 4.350 0.063 0.000 0.269 483 E C -1.159 175.097 176.600 -0.573 0.000 0.877 483 E CA -0.822 55.369 56.400 -0.347 0.000 0.755 483 E CB 1.652 31.239 29.700 -0.188 0.000 1.192 483 E HN 0.613 nan 8.360 nan 0.000 0.422 484 S N 2.320 117.922 115.700 -0.164 0.000 2.576 484 S HA 0.032 4.540 4.470 0.063 0.000 0.276 484 S C -0.655 173.932 174.600 -0.021 0.000 1.339 484 S CA -0.365 57.824 58.200 -0.018 0.000 1.039 484 S CB 0.167 63.473 63.200 0.177 0.000 0.902 484 S HN 0.464 nan 8.310 nan 0.000 0.516 485 Y N 2.483 122.723 120.300 -0.100 0.000 2.620 485 Y HA 0.011 4.598 4.550 0.061 0.000 0.330 485 Y C 0.830 176.712 175.900 -0.030 0.000 1.186 485 Y CA 0.116 58.165 58.100 -0.085 0.000 1.467 485 Y CB 0.227 38.635 38.460 -0.086 0.000 1.262 485 Y HN 0.578 nan 8.280 nan 0.000 0.550 486 Q N 5.313 124.730 119.800 -0.638 0.000 3.254 486 Q HA 0.021 4.399 4.340 0.063 0.000 0.315 486 Q C -0.256 175.437 176.000 -0.512 0.000 1.405 486 Q CA -0.069 55.480 55.803 -0.424 0.000 0.966 486 Q CB -0.173 28.382 28.738 -0.304 0.000 1.706 486 Q HN 0.657 nan 8.270 nan 0.000 0.525 487 E N 1.450 121.434 120.200 -0.361 0.000 2.414 487 E HA -0.022 4.366 4.350 0.063 0.000 0.263 487 E C -0.183 176.385 176.600 -0.054 0.000 1.000 487 E CA -0.361 55.967 56.400 -0.119 0.000 0.914 487 E CB 0.633 30.406 29.700 0.122 0.000 0.948 487 E HN 0.131 nan 8.360 nan 0.000 0.444 488 R N 2.832 123.324 120.500 -0.013 0.000 2.438 488 R HA 0.230 4.607 4.340 0.063 0.000 0.287 488 R C -1.457 174.867 176.300 0.039 0.000 1.077 488 R CA -0.202 55.902 56.100 0.006 0.000 1.034 488 R CB 0.931 31.244 30.300 0.022 0.000 0.993 488 R HN 0.294 nan 8.270 nan 0.000 0.459 489 V N 4.673 124.604 119.914 0.028 0.000 2.444 489 V HA 0.416 4.574 4.120 0.063 0.000 0.294 489 V C -0.635 175.473 176.094 0.024 0.000 1.022 489 V CA -0.584 61.736 62.300 0.034 0.000 0.850 489 V CB 1.661 33.500 31.823 0.028 0.000 0.992 489 V HN 0.818 nan 8.190 nan 0.000 0.426 490 E N 2.874 123.090 120.200 0.027 0.000 2.317 490 E HA 0.676 5.064 4.350 0.063 0.000 0.270 490 E C -0.144 176.463 176.600 0.012 0.000 0.899 490 E CA -0.357 56.052 56.400 0.016 0.000 0.814 490 E CB 2.240 31.950 29.700 0.017 0.000 1.296 490 E HN 0.972 nan 8.360 nan 0.000 0.404 491 G N 2.412 111.215 108.800 0.004 0.000 2.328 491 G HA2 0.176 4.173 3.960 0.063 0.000 0.295 491 G HA3 0.176 4.173 3.960 0.063 0.000 0.295 491 G C -1.449 173.447 174.900 -0.008 0.000 1.413 491 G CA -0.978 44.121 45.100 -0.002 0.000 0.817 491 G HN 0.343 nan 8.290 nan 0.000 0.546 492 N N -0.118 118.574 118.700 -0.013 0.000 2.482 492 N HA 0.443 5.221 4.740 0.063 0.000 0.279 492 N C -0.252 175.246 175.510 -0.020 0.000 1.182 492 N CA -0.578 52.463 53.050 -0.015 0.000 0.969 492 N CB 1.066 39.542 38.487 -0.017 0.000 1.201 492 N HN 0.391 nan 8.380 nan 0.000 0.523 493 K N 1.084 121.472 120.400 -0.021 0.000 2.336 493 K HA 0.185 4.543 4.320 0.063 0.000 0.290 493 K C -0.733 175.847 176.600 -0.034 0.000 1.067 493 K CA -0.189 56.082 56.287 -0.026 0.000 0.962 493 K CB -0.217 32.269 32.500 -0.024 0.000 1.008 493 K HN 0.340 nan 8.250 nan 0.000 0.467 494 V N 0.333 120.222 119.914 -0.042 0.000 2.876 494 V HA 0.497 4.654 4.120 0.063 0.000 0.312 494 V C -0.481 175.574 176.094 -0.065 0.000 1.085 494 V CA -1.333 60.937 62.300 -0.049 0.000 0.945 494 V CB 2.033 33.827 31.823 -0.047 0.000 1.017 494 V HN 0.612 nan 8.190 nan 0.000 0.428 495 R N 2.368 122.825 120.500 -0.072 0.000 2.522 495 R HA 0.596 4.973 4.340 0.063 0.000 0.290 495 R C -0.503 175.747 176.300 -0.083 0.000 1.216 495 R CA -0.141 55.903 56.100 -0.093 0.000 1.250 495 R CB 0.782 31.014 30.300 -0.115 0.000 1.143 495 R HN 0.941 nan 8.270 nan 0.000 0.553 496 E N 2.014 122.161 120.200 -0.088 0.000 2.335 496 E HA 0.233 4.621 4.350 0.063 0.000 0.280 496 E C -1.299 175.230 176.600 -0.118 0.000 0.918 496 E CA -1.018 55.332 56.400 -0.082 0.000 0.765 496 E CB 1.721 31.380 29.700 -0.069 0.000 1.218 496 E HN 0.131 nan 8.360 nan 0.000 0.425 497 R N 1.614 122.047 120.500 -0.111 0.000 2.390 497 R HA 0.214 4.591 4.340 0.063 0.000 0.291 497 R C -0.490 175.681 176.300 -0.215 0.000 1.070 497 R CA 0.085 56.076 56.100 -0.180 0.000 1.014 497 R CB 1.188 31.442 30.300 -0.077 0.000 1.007 497 R HN 0.397 nan 8.270 nan 0.000 0.466 498 S N 4.815 120.265 115.700 -0.417 0.000 2.552 498 S HA 0.091 4.598 4.470 0.063 0.000 0.289 498 S C -1.530 173.029 174.600 -0.069 0.000 1.304 498 S CA -1.160 56.882 58.200 -0.264 0.000 1.063 498 S CB 0.625 63.599 63.200 -0.375 0.000 0.848 498 S HN 0.549 nan 8.310 nan 0.000 0.499 499 P HA -0.083 nan 4.420 nan 0.000 0.219 499 P C 1.409 178.762 177.300 0.089 0.000 1.146 499 P CA 1.103 64.224 63.100 0.035 0.000 0.808 499 P CB -0.130 31.582 31.700 0.020 0.000 0.779 500 S N -2.263 113.529 115.700 0.154 0.000 2.547 500 S HA -0.063 4.445 4.470 0.063 0.000 0.235 500 S C 1.319 176.097 174.600 0.296 0.000 0.980 500 S CA 0.624 58.949 58.200 0.209 0.000 0.941 500 S CB -1.257 62.098 63.200 0.259 0.000 0.763 500 S HN -0.036 nan 8.310 nan 0.000 0.532 501 F N 2.152 122.092 119.950 -0.016 0.000 2.765 501 F HA 0.411 4.975 4.527 0.062 0.000 0.302 501 F C 1.826 177.557 175.800 -0.115 0.000 1.111 501 F CA -1.032 56.953 58.000 -0.025 0.000 1.359 501 F CB -0.383 38.634 39.000 0.028 0.000 1.097 501 F HN 0.349 nan 8.300 nan 0.000 0.577 502 G N 0.490 109.288 108.800 -0.004 0.000 3.741 502 G HA2 0.146 4.144 3.960 0.063 0.000 0.263 502 G HA3 0.146 4.144 3.960 0.063 0.000 0.263 502 G C -0.126 174.349 174.900 -0.708 0.000 1.175 502 G CA 0.068 44.985 45.100 -0.306 0.000 1.642 502 G HN 0.032 nan 8.290 nan 0.000 0.644 503 E N 0.175 119.871 120.200 -0.841 0.000 2.275 503 E HA 0.373 4.760 4.350 0.063 0.000 0.270 503 E C -0.951 175.186 176.600 -0.771 0.000 0.882 503 E CA -0.758 55.210 56.400 -0.720 0.000 0.758 503 E CB 1.727 31.272 29.700 -0.259 0.000 1.195 503 E HN 0.209 nan 8.360 nan 0.000 0.419 504 Y N 2.357 122.442 120.300 -0.358 0.000 2.499 504 Y HA 0.199 4.787 4.550 0.062 0.000 0.253 504 Y C 0.640 176.277 175.900 -0.439 0.000 1.105 504 Y CA -0.153 57.656 58.100 -0.485 0.000 1.240 504 Y CB 0.434 38.451 38.460 -0.738 0.000 1.289 504 Y HN 0.417 nan 8.280 nan 0.000 0.534 505 Y N -1.191 119.196 120.300 0.145 0.000 2.483 505 Y HA 0.079 4.667 4.550 0.063 0.000 0.258 505 Y C 2.427 178.388 175.900 0.101 0.000 1.083 505 Y CA 0.258 58.438 58.100 0.132 0.000 1.283 505 Y CB -0.308 38.236 38.460 0.140 0.000 1.178 505 Y HN 0.060 nan 8.280 nan 0.000 0.515 506 S N -0.738 115.095 115.700 0.221 0.000 2.383 506 S HA -0.180 4.328 4.470 0.063 0.000 0.227 506 S C 1.588 176.264 174.600 0.128 0.000 1.026 506 S CA 1.430 59.740 58.200 0.184 0.000 0.981 506 S CB -0.769 62.547 63.200 0.193 0.000 0.818 506 S HN 0.552 nan 8.310 nan 0.000 0.472 507 H N 2.276 121.258 119.070 -0.147 0.000 2.395 507 H HA 0.071 4.665 4.556 0.063 0.000 0.299 507 H C -0.579 174.526 175.328 -0.372 0.000 1.070 507 H CA 1.106 56.921 56.048 -0.388 0.000 1.356 507 H CB -1.108 28.200 29.762 -0.756 0.000 1.401 507 H HN 0.432 nan 8.280 nan 0.000 0.524 508 P HA -0.157 nan 4.420 nan 0.000 0.215 508 P C 1.629 179.105 177.300 0.294 0.000 1.153 508 P CA 1.330 64.558 63.100 0.213 0.000 0.853 508 P CB -0.097 31.764 31.700 0.269 0.000 0.788 509 R N -0.317 120.312 120.500 0.214 0.000 2.073 509 R HA -0.153 4.224 4.340 0.063 0.000 0.234 509 R C 2.129 178.559 176.300 0.216 0.000 1.134 509 R CA 1.322 57.556 56.100 0.222 0.000 0.952 509 R CB -1.118 29.276 30.300 0.156 0.000 0.850 509 R HN 0.055 nan 8.270 nan 0.000 0.433 510 L N 0.491 121.783 121.223 0.116 0.000 2.042 510 L HA -0.152 4.225 4.340 0.063 0.000 0.210 510 L C 1.987 178.915 176.870 0.097 0.000 1.076 510 L CA 1.753 56.625 54.840 0.054 0.000 0.749 510 L CB -0.811 41.210 42.059 -0.064 0.000 0.893 510 L HN 0.246 nan 8.230 nan 0.000 0.432 511 F N -0.827 119.147 119.950 0.039 0.000 2.102 511 F HA -0.278 4.288 4.527 0.064 0.000 0.298 511 F C 2.349 178.148 175.800 -0.002 0.000 1.105 511 F CA 2.168 60.169 58.000 0.001 0.000 1.239 511 F CB -0.615 38.419 39.000 0.057 0.000 0.991 511 F HN 0.385 nan 8.300 nan 0.000 0.474 512 W N 1.268 122.566 121.300 -0.004 0.000 2.335 512 W HA -0.233 4.465 4.660 0.062 0.000 0.311 512 W C 1.654 178.057 176.519 -0.193 0.000 1.213 512 W CA 1.648 58.940 57.345 -0.089 0.000 1.274 512 W CB -0.650 28.840 29.460 0.050 0.000 1.148 512 W HN 0.073 nan 8.180 nan 0.000 0.498 513 L N 1.043 122.189 121.223 -0.128 0.000 2.376 513 L HA -0.127 4.250 4.340 0.063 0.000 0.219 513 L C 2.222 178.900 176.870 -0.321 0.000 1.133 513 L CA 0.928 55.622 54.840 -0.244 0.000 0.816 513 L CB -0.586 41.457 42.059 -0.027 0.000 0.933 513 L HN -0.137 nan 8.230 nan 0.000 0.449 514 S N -1.415 114.076 115.700 -0.348 0.000 2.575 514 S HA 0.070 4.578 4.470 0.063 0.000 0.215 514 S C 0.674 174.987 174.600 -0.478 0.000 0.966 514 S CA -0.040 57.953 58.200 -0.345 0.000 0.911 514 S CB 0.068 63.094 63.200 -0.289 0.000 0.780 514 S HN 0.280 nan 8.310 nan 0.000 0.514 515 Q N 2.271 121.684 119.800 -0.644 0.000 2.260 515 Q HA 0.284 4.661 4.340 0.063 0.000 0.242 515 Q C 0.697 176.313 176.000 -0.639 0.000 0.932 515 Q CA -0.095 55.293 55.803 -0.693 0.000 0.891 515 Q CB 0.426 28.686 28.738 -0.797 0.000 1.222 515 Q HN 0.434 nan 8.270 nan 0.000 0.453 516 T N -1.668 112.469 114.554 -0.695 0.000 2.701 516 T HA 0.121 4.508 4.350 0.063 0.000 0.303 516 T C -1.715 172.532 174.700 -0.755 0.000 1.030 516 T CA -1.168 60.484 62.100 -0.747 0.000 1.010 516 T CB 0.128 68.273 68.868 -1.205 0.000 1.007 516 T HN 0.239 nan 8.240 nan 0.000 0.532 517 P HA -0.001 nan 4.420 nan 0.000 0.216 517 P C 1.419 178.484 177.300 -0.392 0.000 1.153 517 P CA 0.983 63.853 63.100 -0.382 0.000 0.848 517 P CB -0.252 31.345 31.700 -0.172 0.000 0.787 518 F N -0.193 119.549 119.950 -0.348 0.000 2.259 518 F HA 0.043 4.608 4.527 0.063 0.000 0.298 518 F C 1.796 177.223 175.800 -0.622 0.000 1.088 518 F CA 0.847 58.570 58.000 -0.461 0.000 1.358 518 F CB -1.632 37.079 39.000 -0.481 0.000 1.040 518 F HN -0.092 nan 8.300 nan 0.000 0.505 519 E N 0.524 120.144 120.200 -0.966 0.000 2.106 519 E HA -0.184 4.203 4.350 0.063 0.000 0.192 519 E C 2.208 178.610 176.600 -0.330 0.000 0.984 519 E CA 1.233 57.297 56.400 -0.560 0.000 0.806 519 E CB -0.250 29.085 29.700 -0.607 0.000 0.750 519 E HN 0.619 nan 8.360 nan 0.000 0.458 520 Q N 0.368 119.890 119.800 -0.463 0.000 2.084 520 Q HA -0.167 4.210 4.340 0.063 0.000 0.202 520 Q C 2.295 178.318 176.000 0.038 0.000 0.978 520 Q CA 0.995 56.569 55.803 -0.380 0.000 0.844 520 Q CB -0.165 28.069 28.738 -0.840 0.000 0.898 520 Q HN 0.141 nan 8.270 nan 0.000 0.426 521 R N 0.379 120.866 120.500 -0.021 0.000 2.083 521 R HA -0.184 4.194 4.340 0.063 0.000 0.237 521 R C 1.744 178.207 176.300 0.271 0.000 1.137 521 R CA 1.731 57.905 56.100 0.124 0.000 0.951 521 R CB -0.210 30.132 30.300 0.071 0.000 0.851 521 R HN 0.506 nan 8.270 nan 0.000 0.434 522 H N -0.481 118.678 119.070 0.148 0.000 2.423 522 H HA -0.050 4.544 4.556 0.063 0.000 0.297 522 H C 2.208 177.652 175.328 0.195 0.000 1.075 522 H CA 1.114 57.267 56.048 0.174 0.000 1.342 522 H CB 0.068 29.936 29.762 0.177 0.000 1.395 522 H HN 0.231 nan 8.280 nan 0.000 0.530 523 I N 0.184 120.972 120.570 0.364 0.000 2.179 523 I HA -0.254 3.954 4.170 0.063 0.000 0.242 523 I C 2.299 178.711 176.117 0.491 0.000 1.088 523 I CA 0.789 62.343 61.300 0.423 0.000 1.357 523 I CB -0.159 38.180 38.000 0.565 0.000 1.051 523 I HN 0.076 nan 8.210 nan 0.000 0.409 524 V N 0.962 121.153 119.914 0.462 0.000 2.324 524 V HA -0.334 3.823 4.120 0.063 0.000 0.250 524 V C 2.046 178.314 176.094 0.291 0.000 1.060 524 V CA 2.142 64.654 62.300 0.354 0.000 1.042 524 V CB -0.713 31.279 31.823 0.281 0.000 0.650 524 V HN 0.426 nan 8.190 nan 0.000 0.450 525 D N 0.400 120.958 120.400 0.263 0.000 2.144 525 D HA -0.098 4.580 4.640 0.063 0.000 0.199 525 D C 2.176 178.566 176.300 0.149 0.000 0.984 525 D CA 1.550 55.675 54.000 0.207 0.000 0.834 525 D CB -0.592 40.337 40.800 0.214 0.000 0.955 525 D HN 0.484 nan 8.370 nan 0.000 0.465 526 G N -0.134 108.736 108.800 0.117 0.000 2.404 526 G HA2 -0.231 3.767 3.960 0.063 0.000 0.215 526 G HA3 -0.231 3.767 3.960 0.063 0.000 0.215 526 G C 1.453 176.357 174.900 0.007 0.000 1.174 526 G CA 0.116 45.190 45.100 -0.044 0.000 0.780 526 G HN 0.168 nan 8.290 nan 0.000 0.537 527 F N 1.808 121.800 119.950 0.070 0.000 2.134 527 F HA -0.062 4.503 4.527 0.063 0.000 0.299 527 F C 3.133 178.853 175.800 -0.133 0.000 1.097 527 F CA 1.562 59.536 58.000 -0.042 0.000 1.264 527 F CB -0.233 38.745 39.000 -0.036 0.000 1.001 527 F HN 0.083 nan 8.300 nan 0.000 0.479 528 S N -0.189 115.606 115.700 0.157 0.000 2.368 528 S HA -0.197 4.310 4.470 0.063 0.000 0.224 528 S C 1.873 176.487 174.600 0.023 0.000 1.029 528 S CA 1.171 59.409 58.200 0.063 0.000 0.988 528 S CB -0.741 62.519 63.200 0.102 0.000 0.838 528 S HN 0.392 nan 8.310 nan 0.000 0.462 529 F N 2.650 122.565 119.950 -0.059 0.000 2.075 529 F HA -0.128 4.437 4.527 0.062 0.000 0.297 529 F C 2.363 178.105 175.800 -0.096 0.000 1.113 529 F CA 1.582 59.537 58.000 -0.076 0.000 1.218 529 F CB -0.305 38.597 39.000 -0.164 0.000 0.984 529 F HN 0.138 nan 8.300 nan 0.000 0.472 530 E N 0.529 120.698 120.200 -0.052 0.000 2.051 530 E HA -0.213 4.175 4.350 0.063 0.000 0.192 530 E C 2.331 178.731 176.600 -0.333 0.000 0.991 530 E CA 1.691 58.025 56.400 -0.109 0.000 0.799 530 E CB -0.565 29.227 29.700 0.153 0.000 0.748 530 E HN 0.473 nan 8.360 nan 0.000 0.449 531 L N 1.027 121.972 121.223 -0.464 0.000 2.376 531 L HA -0.073 4.304 4.340 0.063 0.000 0.219 531 L C 2.331 179.032 176.870 -0.282 0.000 1.133 531 L CA 0.346 54.888 54.840 -0.496 0.000 0.816 531 L CB -0.139 41.644 42.059 -0.460 0.000 0.933 531 L HN -0.001 nan 8.230 nan 0.000 0.449 532 S N -0.399 115.147 115.700 -0.256 0.000 2.447 532 S HA -0.063 4.444 4.470 0.063 0.000 0.233 532 S C 1.646 176.129 174.600 -0.194 0.000 1.006 532 S CA 0.908 58.988 58.200 -0.201 0.000 0.957 532 S CB -0.014 63.068 63.200 -0.197 0.000 0.773 532 S HN 0.284 nan 8.310 nan 0.000 0.507 533 K N 1.197 121.459 120.400 -0.231 0.000 2.404 533 K HA 0.263 4.620 4.320 0.063 0.000 0.194 533 K C -0.079 176.510 176.600 -0.018 0.000 1.023 533 K CA 0.016 56.224 56.287 -0.131 0.000 1.094 533 K CB -0.025 32.385 32.500 -0.150 0.000 0.841 533 K HN 0.179 nan 8.250 nan 0.000 0.523 534 V N 1.988 121.871 119.914 -0.051 0.000 2.455 534 V HA 0.012 4.169 4.120 0.063 0.000 0.273 534 V C 1.684 177.766 176.094 -0.020 0.000 1.045 534 V CA -0.076 62.224 62.300 -0.000 0.000 0.976 534 V CB 1.441 33.229 31.823 -0.058 0.000 0.993 534 V HN -0.122 nan 8.190 nan 0.000 0.475 535 V N 5.178 125.104 119.914 0.020 0.000 2.591 535 V HA -0.003 4.154 4.120 0.063 0.000 0.249 535 V C 1.289 177.372 176.094 -0.018 0.000 1.053 535 V CA 1.175 63.483 62.300 0.012 0.000 1.068 535 V CB -0.433 31.416 31.823 0.043 0.000 0.689 535 V HN 0.741 nan 8.190 nan 0.000 0.462 536 R N 0.824 121.289 120.500 -0.059 0.000 2.210 536 R HA 0.206 4.584 4.340 0.063 0.000 0.338 536 R C -1.789 174.394 176.300 -0.195 0.000 1.062 536 R CA -1.482 54.558 56.100 -0.100 0.000 0.902 536 R CB 0.811 31.003 30.300 -0.179 0.000 1.050 536 R HN 0.211 nan 8.270 nan 0.000 0.461 537 P HA -0.173 nan 4.420 nan 0.000 0.220 537 P C 0.636 177.892 177.300 -0.073 0.000 1.148 537 P CA 1.010 64.074 63.100 -0.060 0.000 0.803 537 P CB 0.035 31.738 31.700 0.005 0.000 0.782 538 Y N -1.616 118.684 120.300 0.000 0.000 2.403 538 Y HA -0.063 4.525 4.550 0.062 0.000 0.291 538 Y C 1.881 177.786 175.900 0.009 0.000 1.143 538 Y CA 0.675 58.776 58.100 0.001 0.000 1.257 538 Y CB -1.705 36.756 38.460 0.002 0.000 0.984 538 Y HN -0.106 nan 8.280 nan 0.000 0.550 539 I N 0.790 120.938 120.570 -0.703 0.000 2.286 539 I HA -0.217 3.991 4.170 0.063 0.000 0.245 539 I C 2.488 178.515 176.117 -0.151 0.000 1.104 539 I CA 1.149 62.213 61.300 -0.393 0.000 1.397 539 I CB -0.332 37.434 38.000 -0.390 0.000 1.072 539 I HN 0.182 nan 8.210 nan 0.000 0.417 540 R N 0.877 121.278 120.500 -0.166 0.000 2.083 540 R HA -0.212 4.166 4.340 0.063 0.000 0.237 540 R C 2.130 178.379 176.300 -0.084 0.000 1.137 540 R CA 1.690 57.707 56.100 -0.138 0.000 0.951 540 R CB -0.505 29.712 30.300 -0.139 0.000 0.851 540 R HN 0.438 nan 8.270 nan 0.000 0.434 541 E N 0.430 120.601 120.200 -0.048 0.000 2.085 541 E HA -0.182 4.205 4.350 0.063 0.000 0.194 541 E C 2.169 178.773 176.600 0.006 0.000 0.994 541 E CA 1.170 57.563 56.400 -0.012 0.000 0.801 541 E CB -0.060 29.657 29.700 0.027 0.000 0.743 541 E HN 0.276 nan 8.360 nan 0.000 0.453 542 R N 0.261 120.780 120.500 0.031 0.000 2.096 542 R HA -0.108 4.270 4.340 0.063 0.000 0.235 542 R C 2.395 178.719 176.300 0.041 0.000 1.127 542 R CA 1.105 57.236 56.100 0.051 0.000 0.968 542 R CB -0.259 30.091 30.300 0.083 0.000 0.861 542 R HN 0.066 nan 8.270 nan 0.000 0.440 543 V N 0.251 120.185 119.914 0.034 0.000 2.358 543 V HA -0.186 3.972 4.120 0.063 0.000 0.246 543 V C 2.255 178.334 176.094 -0.026 0.000 1.047 543 V CA 1.411 63.745 62.300 0.056 0.000 1.035 543 V CB -0.232 31.638 31.823 0.079 0.000 0.658 543 V HN 0.128 nan 8.190 nan 0.000 0.452 544 V N 0.525 120.398 119.914 -0.069 0.000 2.407 544 V HA -0.305 3.853 4.120 0.063 0.000 0.248 544 V C 2.283 178.335 176.094 -0.070 0.000 1.055 544 V CA 2.448 64.682 62.300 -0.110 0.000 1.049 544 V CB -0.635 31.128 31.823 -0.099 0.000 0.662 544 V HN 0.660 nan 8.190 nan 0.000 0.455 545 D N -0.918 119.474 120.400 -0.014 0.000 2.144 545 D HA -0.191 4.487 4.640 0.063 0.000 0.199 545 D C 2.275 178.651 176.300 0.128 0.000 0.984 545 D CA 1.052 55.077 54.000 0.042 0.000 0.834 545 D CB 0.020 40.862 40.800 0.070 0.000 0.955 545 D HN 0.339 nan 8.370 nan 0.000 0.465 546 Q N -0.052 119.799 119.800 0.084 0.000 2.050 546 Q HA -0.125 4.252 4.340 0.063 0.000 0.202 546 Q C 2.603 178.634 176.000 0.052 0.000 0.980 546 Q CA 0.796 56.663 55.803 0.106 0.000 0.840 546 Q CB -0.423 28.391 28.738 0.128 0.000 0.898 546 Q HN 0.456 nan 8.270 nan 0.000 0.424 547 L N 0.228 121.414 121.223 -0.062 0.000 2.079 547 L HA -0.180 4.198 4.340 0.063 0.000 0.210 547 L C 2.425 179.177 176.870 -0.196 0.000 1.081 547 L CA 1.101 55.825 54.840 -0.194 0.000 0.752 547 L CB -0.744 41.097 42.059 -0.362 0.000 0.896 547 L HN 0.130 nan 8.230 nan 0.000 0.433 548 A N -0.707 122.016 122.820 -0.162 0.000 2.070 548 A HA -0.221 4.136 4.320 0.063 0.000 0.220 548 A C 1.774 179.162 177.584 -0.328 0.000 1.159 548 A CA 1.461 53.362 52.037 -0.226 0.000 0.656 548 A CB -0.756 18.119 19.000 -0.208 0.000 0.800 548 A HN 0.472 nan 8.150 nan 0.000 0.453 549 H N -1.203 117.661 119.070 -0.344 0.000 2.548 549 H HA 0.246 4.840 4.556 0.063 0.000 0.268 549 H C 1.619 176.678 175.328 -0.448 0.000 0.975 549 H CA 1.004 56.715 56.048 -0.561 0.000 1.195 549 H CB 0.048 29.046 29.762 -1.273 0.000 1.397 549 H HN 0.508 nan 8.280 nan 0.000 0.572 550 I N -1.075 119.395 120.570 -0.166 0.000 2.681 550 I HA 0.060 4.268 4.170 0.063 0.000 0.247 550 I C -0.089 175.956 176.117 -0.120 0.000 1.091 550 I CA 0.539 61.809 61.300 -0.051 0.000 1.442 550 I CB 0.576 38.570 38.000 -0.009 0.000 1.219 550 I HN 0.098 nan 8.210 nan 0.000 0.451 551 D N -0.795 119.457 120.400 -0.246 0.000 2.861 551 D HA 0.224 4.901 4.640 0.063 0.000 0.216 551 D C 0.273 176.404 176.300 -0.282 0.000 1.323 551 D CA -0.384 53.453 54.000 -0.271 0.000 0.917 551 D CB 1.344 41.846 40.800 -0.498 0.000 1.582 551 D HN -0.193 nan 8.370 nan 0.000 0.576 552 L N 2.510 123.627 121.223 -0.176 0.000 2.141 552 L HA -0.007 4.371 4.340 0.063 0.000 0.209 552 L C 2.134 178.923 176.870 -0.135 0.000 1.094 552 L CA 1.523 56.271 54.840 -0.154 0.000 0.763 552 L CB -1.390 40.606 42.059 -0.105 0.000 0.908 552 L HN 0.607 nan 8.230 nan 0.000 0.437 553 T N 0.119 114.619 114.554 -0.089 0.000 2.777 553 T HA -0.172 4.216 4.350 0.063 0.000 0.266 553 T C 1.925 176.562 174.700 -0.105 0.000 1.040 553 T CA 1.269 63.361 62.100 -0.014 0.000 1.141 553 T CB -0.278 68.679 68.868 0.148 0.000 0.868 553 T HN 0.199 nan 8.240 nan 0.000 0.444 554 L N 1.676 122.665 121.223 -0.390 0.000 2.012 554 L HA 0.003 4.381 4.340 0.063 0.000 0.210 554 L C 2.572 179.203 176.870 -0.400 0.000 1.073 554 L CA 2.163 56.596 54.840 -0.679 0.000 0.748 554 L CB -1.084 40.127 42.059 -1.413 0.000 0.891 554 L HN 0.206 nan 8.230 nan 0.000 0.431 555 A N -1.094 121.511 122.820 -0.358 0.000 1.873 555 A HA -0.236 4.122 4.320 0.063 0.000 0.215 555 A C 2.208 179.686 177.584 -0.176 0.000 1.186 555 A CA 1.770 53.644 52.037 -0.272 0.000 0.616 555 A CB -0.656 18.203 19.000 -0.235 0.000 0.823 555 A HN 0.687 nan 8.150 nan 0.000 0.442 556 Q N -0.714 119.006 119.800 -0.133 0.000 2.124 556 Q HA -0.082 4.296 4.340 0.063 0.000 0.202 556 Q C 2.355 178.323 176.000 -0.053 0.000 0.977 556 Q CA 1.283 57.039 55.803 -0.079 0.000 0.850 556 Q CB -0.344 28.363 28.738 -0.051 0.000 0.901 556 Q HN 0.696 nan 8.270 nan 0.000 0.429 557 A N 0.162 122.954 122.820 -0.046 0.000 1.929 557 A HA -0.091 4.267 4.320 0.063 0.000 0.216 557 A C 2.282 179.863 177.584 -0.005 0.000 1.176 557 A CA 0.981 53.020 52.037 0.004 0.000 0.628 557 A CB -0.437 18.599 19.000 0.060 0.000 0.816 557 A HN 0.195 nan 8.150 nan 0.000 0.444 558 V N -0.077 119.803 119.914 -0.057 0.000 2.358 558 V HA -0.211 3.946 4.120 0.063 0.000 0.246 558 V C 3.030 179.087 176.094 -0.061 0.000 1.047 558 V CA 1.811 64.076 62.300 -0.060 0.000 1.035 558 V CB -1.165 30.567 31.823 -0.151 0.000 0.658 558 V HN 0.589 nan 8.190 nan 0.000 0.452 559 A N -0.253 122.521 122.820 -0.078 0.000 1.933 559 A HA -0.255 4.103 4.320 0.063 0.000 0.218 559 A C 2.345 179.908 177.584 -0.035 0.000 1.175 559 A CA 2.111 54.111 52.037 -0.063 0.000 0.628 559 A CB -0.475 18.485 19.000 -0.066 0.000 0.814 559 A HN 0.514 nan 8.150 nan 0.000 0.444 560 K N -0.296 120.091 120.400 -0.022 0.000 2.032 560 K HA -0.194 4.163 4.320 0.063 0.000 0.209 560 K C 1.451 178.054 176.600 0.005 0.000 1.048 560 K CA 1.623 57.907 56.287 -0.004 0.000 0.927 560 K CB -0.223 32.282 32.500 0.007 0.000 0.712 560 K HN 0.398 nan 8.250 nan 0.000 0.441 561 N N 0.716 119.423 118.700 0.011 0.000 2.443 561 N HA -0.109 4.669 4.740 0.063 0.000 0.184 561 N C 1.250 176.762 175.510 0.002 0.000 1.037 561 N CA 0.856 53.919 53.050 0.021 0.000 0.896 561 N CB 0.073 38.585 38.487 0.041 0.000 0.959 561 N HN 0.280 nan 8.380 nan 0.000 0.442 562 L N -1.230 119.983 121.223 -0.017 0.000 2.693 562 L HA 0.274 4.651 4.340 0.063 0.000 0.235 562 L C 0.952 177.807 176.870 -0.025 0.000 1.127 562 L CA -0.072 54.749 54.840 -0.033 0.000 0.914 562 L CB 0.082 42.106 42.059 -0.058 0.000 1.193 562 L HN 0.052 nan 8.230 nan 0.000 0.502 563 G N 1.593 110.385 108.800 -0.015 0.000 2.221 563 G HA2 -0.281 3.717 3.960 0.063 0.000 0.265 563 G HA3 -0.281 3.717 3.960 0.063 0.000 0.265 563 G C -0.019 174.872 174.900 -0.015 0.000 1.041 563 G CA 0.131 45.224 45.100 -0.010 0.000 0.807 563 G HN 0.315 nan 8.290 nan 0.000 0.502 564 I N -0.267 120.290 120.570 -0.022 0.000 2.493 564 I HA 0.522 4.730 4.170 0.063 0.000 0.298 564 I C 0.207 176.309 176.117 -0.025 0.000 0.998 564 I CA -0.904 60.382 61.300 -0.025 0.000 1.137 564 I CB 1.978 39.956 38.000 -0.036 0.000 1.310 564 I HN 0.262 nan 8.210 nan 0.000 0.445 565 E N 6.513 126.700 120.200 -0.022 0.000 2.158 565 E HA 0.446 4.834 4.350 0.063 0.000 0.271 565 E C -1.257 175.326 176.600 -0.028 0.000 0.911 565 E CA -0.679 55.707 56.400 -0.023 0.000 0.767 565 E CB 1.316 31.006 29.700 -0.016 0.000 1.120 565 E HN 0.494 nan 8.360 nan 0.000 0.405 566 L N 3.904 125.105 121.223 -0.037 0.000 2.456 566 L HA 0.143 4.521 4.340 0.063 0.000 0.272 566 L C 0.979 177.827 176.870 -0.036 0.000 1.189 566 L CA -0.165 54.648 54.840 -0.044 0.000 0.846 566 L CB 0.525 42.549 42.059 -0.059 0.000 1.111 566 L HN 0.761 nan 8.230 nan 0.000 0.475 567 T N -2.160 112.373 114.554 -0.035 0.000 2.788 567 T HA 0.050 4.438 4.350 0.063 0.000 0.287 567 T C 0.778 175.457 174.700 -0.036 0.000 1.007 567 T CA -0.794 61.289 62.100 -0.029 0.000 1.005 567 T CB 1.059 69.913 68.868 -0.024 0.000 1.012 567 T HN 0.491 nan 8.240 nan 0.000 0.530 568 D N 0.470 120.853 120.400 -0.029 0.000 2.117 568 D HA -0.079 4.598 4.640 0.063 0.000 0.197 568 D C 1.704 177.980 176.300 -0.041 0.000 0.987 568 D CA 1.163 55.144 54.000 -0.032 0.000 0.829 568 D CB -0.332 40.454 40.800 -0.024 0.000 0.961 568 D HN 0.601 nan 8.370 nan 0.000 0.460 569 D N 0.484 120.861 120.400 -0.038 0.000 2.123 569 D HA -0.134 4.543 4.640 0.063 0.000 0.196 569 D C 2.118 178.372 176.300 -0.076 0.000 0.992 569 D CA 0.813 54.786 54.000 -0.046 0.000 0.833 569 D CB -0.252 40.529 40.800 -0.031 0.000 0.954 569 D HN 0.341 nan 8.370 nan 0.000 0.455 570 Q N -0.199 119.555 119.800 -0.077 0.000 2.084 570 Q HA -0.052 4.326 4.340 0.063 0.000 0.202 570 Q C 2.386 178.309 176.000 -0.127 0.000 0.978 570 Q CA 0.659 56.392 55.803 -0.117 0.000 0.844 570 Q CB -0.109 28.573 28.738 -0.093 0.000 0.898 570 Q HN 0.314 nan 8.270 nan 0.000 0.426 571 L N 0.750 121.918 121.223 -0.091 0.000 2.265 571 L HA -0.150 4.228 4.340 0.063 0.000 0.215 571 L C 1.251 178.069 176.870 -0.086 0.000 1.117 571 L CA 0.529 55.318 54.840 -0.084 0.000 0.782 571 L CB -0.209 41.815 42.059 -0.058 0.000 0.914 571 L HN 0.213 nan 8.230 nan 0.000 0.441 572 N N -0.150 118.497 118.700 -0.087 0.000 2.230 572 N HA 0.235 5.012 4.740 0.063 0.000 0.202 572 N C 0.344 175.793 175.510 -0.102 0.000 1.119 572 N CA 0.037 53.041 53.050 -0.078 0.000 0.851 572 N CB 0.478 38.932 38.487 -0.055 0.000 0.990 572 N HN 0.238 nan 8.380 nan 0.000 0.497 573 I N 1.758 122.232 120.570 -0.160 0.000 2.668 573 I HA -0.066 4.142 4.170 0.063 0.000 0.285 573 I C 0.450 176.473 176.117 -0.157 0.000 1.168 573 I CA 0.464 61.635 61.300 -0.216 0.000 1.424 573 I CB 0.250 37.987 38.000 -0.438 0.000 1.377 573 I HN -0.158 nan 8.210 nan 0.000 0.560 574 T N 8.161 122.652 114.554 -0.105 0.000 2.834 574 T HA 0.164 4.552 4.350 0.063 0.000 0.298 574 T C -2.016 172.648 174.700 -0.059 0.000 0.966 574 T CA -0.875 61.189 62.100 -0.060 0.000 1.141 574 T CB 0.216 69.071 68.868 -0.023 0.000 0.905 574 T HN 0.371 nan 8.240 nan 0.000 0.535 575 P HA 0.165 nan 4.420 nan 0.000 0.267 575 P C -2.254 175.061 177.300 0.025 0.000 1.200 575 P CA -1.178 61.910 63.100 -0.020 0.000 0.772 575 P CB -0.391 31.309 31.700 -0.000 0.000 0.855 576 P HA 0.252 nan 4.420 nan 0.000 0.274 576 P C -2.490 174.865 177.300 0.092 0.000 1.246 576 P CA -1.406 61.761 63.100 0.112 0.000 0.795 576 P CB -0.919 30.896 31.700 0.191 0.000 1.006 577 P HA 0.111 nan 4.420 nan 0.000 0.270 577 P C -0.265 177.086 177.300 0.086 0.000 1.223 577 P CA 0.170 63.319 63.100 0.082 0.000 0.785 577 P CB 0.135 31.886 31.700 0.086 0.000 0.923 578 D N -0.102 120.340 120.400 0.071 0.000 2.378 578 D HA 0.048 4.726 4.640 0.063 0.000 0.238 578 D C -0.151 176.199 176.300 0.082 0.000 1.180 578 D CA 0.145 54.183 54.000 0.064 0.000 0.895 578 D CB 0.326 41.158 40.800 0.053 0.000 1.192 578 D HN -0.041 nan 8.370 nan 0.000 0.438 579 V N 2.860 122.813 119.914 0.064 0.000 2.353 579 V HA 0.051 4.208 4.120 0.063 0.000 0.264 579 V C 0.308 176.492 176.094 0.150 0.000 1.049 579 V CA -0.479 61.886 62.300 0.108 0.000 0.896 579 V CB -0.353 31.440 31.823 -0.049 0.000 1.025 579 V HN 0.604 nan 8.190 nan 0.000 0.475 580 N N 4.494 123.301 118.700 0.178 0.000 2.707 580 N HA -0.233 4.545 4.740 0.063 0.000 0.253 580 N C 1.163 176.734 175.510 0.101 0.000 0.998 580 N CA 1.023 54.160 53.050 0.146 0.000 0.751 580 N CB -0.874 37.737 38.487 0.206 0.000 0.920 580 N HN 1.280 nan 8.380 nan 0.000 0.539 581 G N -2.091 106.756 108.800 0.078 0.000 2.179 581 G HA2 -0.324 3.673 3.960 0.063 0.000 0.260 581 G HA3 -0.324 3.673 3.960 0.063 0.000 0.260 581 G C 0.112 175.042 174.900 0.049 0.000 0.977 581 G CA 0.328 45.461 45.100 0.055 0.000 0.641 581 G HN 0.401 nan 8.290 nan 0.000 0.533 582 L N 0.257 121.512 121.223 0.054 0.000 2.349 582 L HA 0.415 4.793 4.340 0.063 0.000 0.275 582 L C 1.529 178.413 176.870 0.024 0.000 1.115 582 L CA -0.471 54.391 54.840 0.037 0.000 0.820 582 L CB 1.075 43.156 42.059 0.036 0.000 1.135 582 L HN 0.007 nan 8.230 nan 0.000 0.445 583 K N 2.584 122.992 120.400 0.014 0.000 2.354 583 K HA 0.129 4.487 4.320 0.063 0.000 0.194 583 K C -0.200 176.393 176.600 -0.012 0.000 1.038 583 K CA 0.219 56.510 56.287 0.007 0.000 1.052 583 K CB 0.538 33.040 32.500 0.004 0.000 0.861 583 K HN 0.601 nan 8.250 nan 0.000 0.535 584 K N 0.031 120.420 120.400 -0.018 0.000 2.660 584 K HA 0.204 4.562 4.320 0.063 0.000 0.285 584 K C -2.247 174.336 176.600 -0.028 0.000 0.997 584 K CA -0.863 55.397 56.287 -0.045 0.000 0.861 584 K CB 1.483 33.937 32.500 -0.077 0.000 1.469 584 K HN -0.247 nan 8.250 nan 0.000 0.395 585 D N 2.035 122.413 120.400 -0.037 0.000 2.479 585 D HA 0.321 4.998 4.640 0.063 0.000 0.246 585 D C -2.211 174.075 176.300 -0.022 0.000 1.336 585 D CA -2.013 51.984 54.000 -0.005 0.000 0.967 585 D CB 2.264 43.083 40.800 0.032 0.000 1.275 585 D HN 0.272 nan 8.370 nan 0.000 0.577 586 P HA -0.052 nan 4.420 nan 0.000 0.230 586 P C 1.273 178.566 177.300 -0.010 0.000 1.158 586 P CA 0.625 63.698 63.100 -0.045 0.000 0.769 586 P CB 0.210 31.893 31.700 -0.028 0.000 0.807 587 S N -0.934 114.794 115.700 0.046 0.000 2.507 587 S HA -0.053 4.454 4.470 0.063 0.000 0.235 587 S C 1.632 176.321 174.600 0.149 0.000 0.988 587 S CA 0.740 59.005 58.200 0.108 0.000 0.944 587 S CB -1.364 61.925 63.200 0.149 0.000 0.762 587 S HN 0.145 nan 8.310 nan 0.000 0.526 588 L N 1.276 122.548 121.223 0.081 0.000 2.492 588 L HA 0.206 4.584 4.340 0.063 0.000 0.223 588 L C 1.439 178.206 176.870 -0.171 0.000 1.132 588 L CA 0.135 55.012 54.840 0.061 0.000 0.850 588 L CB -0.298 41.773 42.059 0.021 0.000 0.966 588 L HN 0.342 nan 8.230 nan 0.000 0.454 589 S N -0.453 115.136 115.700 -0.185 0.000 2.585 589 S HA 0.317 4.824 4.470 0.063 0.000 0.277 589 S C 1.042 175.530 174.600 -0.188 0.000 1.241 589 S CA -0.656 57.377 58.200 -0.279 0.000 1.041 589 S CB 1.474 64.509 63.200 -0.275 0.000 0.987 589 S HN 0.162 nan 8.310 nan 0.000 0.512 590 L N 2.885 123.917 121.223 -0.319 0.000 2.156 590 L HA 0.025 4.403 4.340 0.063 0.000 0.208 590 L C 0.788 177.387 176.870 -0.452 0.000 1.095 590 L CA 1.109 55.659 54.840 -0.483 0.000 0.770 590 L CB -0.246 41.199 42.059 -1.025 0.000 0.914 590 L HN 0.768 nan 8.230 nan 0.000 0.439 591 Y N -2.519 117.785 120.300 0.007 0.000 2.448 591 Y HA 0.325 4.913 4.550 0.063 0.000 0.257 591 Y C 2.096 178.026 175.900 0.049 0.000 1.089 591 Y CA -0.162 57.993 58.100 0.092 0.000 1.245 591 Y CB -0.364 38.190 38.460 0.157 0.000 1.282 591 Y HN -0.060 nan 8.280 nan 0.000 0.529 592 A N 0.465 123.323 122.820 0.064 0.000 1.972 592 A HA -0.044 4.314 4.320 0.063 0.000 0.219 592 A C 0.861 178.486 177.584 0.067 0.000 1.169 592 A CA 1.179 53.227 52.037 0.018 0.000 0.635 592 A CB -0.451 18.502 19.000 -0.078 0.000 0.810 592 A HN 0.149 nan 8.150 nan 0.000 0.446 593 I N 0.645 121.262 120.570 0.079 0.000 2.354 593 I HA 0.285 4.493 4.170 0.063 0.000 0.286 593 I C -2.639 173.552 176.117 0.123 0.000 1.007 593 I CA -2.664 58.687 61.300 0.086 0.000 1.167 593 I CB 0.605 38.645 38.000 0.066 0.000 1.320 593 I HN -0.041 nan 8.210 nan 0.000 0.458 594 P HA 0.021 nan 4.420 nan 0.000 0.263 594 P C -0.023 177.349 177.300 0.121 0.000 1.175 594 P CA 0.542 63.729 63.100 0.145 0.000 0.761 594 P CB 0.483 32.251 31.700 0.114 0.000 0.794 595 D N 0.874 121.353 120.400 0.132 0.000 2.848 595 D HA 0.078 4.756 4.640 0.063 0.000 0.303 595 D C 0.334 176.694 176.300 0.099 0.000 1.665 595 D CA -0.368 53.695 54.000 0.104 0.000 0.807 595 D CB -0.559 40.302 40.800 0.101 0.000 1.288 595 D HN 0.339 nan 8.370 nan 0.000 0.441 596 G N 0.082 108.947 108.800 0.109 0.000 2.483 596 G HA2 0.394 4.391 3.960 0.063 0.000 0.248 596 G HA3 0.394 4.391 3.960 0.063 0.000 0.248 596 G C -0.755 174.180 174.900 0.060 0.000 1.248 596 G CA -0.061 45.097 45.100 0.097 0.000 0.838 596 G HN 0.152 nan 8.290 nan 0.000 0.566 597 D N 0.595 121.022 120.400 0.045 0.000 2.602 597 D HA 0.182 4.860 4.640 0.063 0.000 0.245 597 D C 0.888 177.196 176.300 0.014 0.000 1.325 597 D CA -0.570 53.443 54.000 0.021 0.000 0.952 597 D CB 1.688 42.494 40.800 0.011 0.000 1.317 597 D HN 0.296 nan 8.370 nan 0.000 0.577 598 V N 1.780 121.696 119.914 0.003 0.000 3.406 598 V HA 0.248 4.406 4.120 0.063 0.000 0.263 598 V C 1.037 177.109 176.094 -0.035 0.000 1.172 598 V CA 0.078 62.375 62.300 -0.005 0.000 1.140 598 V CB -0.724 31.092 31.823 -0.012 0.000 0.784 598 V HN 0.393 nan 8.190 nan 0.000 0.467 599 K N 1.334 121.706 120.400 -0.047 0.000 2.472 599 K HA 0.363 4.721 4.320 0.063 0.000 0.280 599 K C 1.276 177.828 176.600 -0.080 0.000 1.028 599 K CA 1.112 57.348 56.287 -0.084 0.000 1.045 599 K CB 0.061 32.519 32.500 -0.069 0.000 0.902 599 K HN 0.711 nan 8.250 nan 0.000 0.478 600 G N 3.190 111.903 108.800 -0.146 0.000 2.195 600 G HA2 -0.215 3.782 3.960 0.063 0.000 0.246 600 G HA3 -0.215 3.782 3.960 0.063 0.000 0.246 600 G C 0.083 175.010 174.900 0.046 0.000 0.984 600 G CA -0.232 44.849 45.100 -0.031 0.000 0.633 600 G HN 0.565 nan 8.290 nan 0.000 0.525 601 R N -0.127 120.372 120.500 -0.000 0.000 2.726 601 R HA 0.636 5.013 4.340 0.063 0.000 0.272 601 R C 0.093 176.438 176.300 0.075 0.000 1.097 601 R CA -0.015 56.119 56.100 0.057 0.000 1.198 601 R CB 0.913 31.242 30.300 0.048 0.000 1.114 601 R HN 0.676 nan 8.270 nan 0.000 0.550 602 V N 0.715 120.698 119.914 0.115 0.000 2.709 602 V HA 0.441 4.598 4.120 0.063 0.000 0.308 602 V C -0.966 175.192 176.094 0.107 0.000 1.062 602 V CA -0.731 61.651 62.300 0.137 0.000 0.901 602 V CB 2.349 34.280 31.823 0.180 0.000 1.003 602 V HN 0.359 nan 8.190 nan 0.000 0.425 603 V N 5.808 125.779 119.914 0.095 0.000 2.581 603 V HA 0.819 4.976 4.120 0.063 0.000 0.303 603 V C 0.522 176.673 176.094 0.095 0.000 1.041 603 V CA -0.150 62.197 62.300 0.079 0.000 0.907 603 V CB 1.792 33.646 31.823 0.052 0.000 0.994 603 V HN 1.178 nan 8.190 nan 0.000 0.442 604 A N 5.580 128.464 122.820 0.106 0.000 2.331 604 A HA 0.778 5.136 4.320 0.063 0.000 0.283 604 A C -0.478 177.125 177.584 0.031 0.000 1.142 604 A CA -0.299 51.790 52.037 0.087 0.000 0.812 604 A CB 0.166 19.248 19.000 0.137 0.000 1.074 604 A HN 0.750 nan 8.150 nan 0.000 0.497 605 I N 3.395 123.978 120.570 0.021 0.000 2.382 605 I HA 0.195 4.403 4.170 0.063 0.000 0.285 605 I C -0.676 175.453 176.117 0.020 0.000 1.007 605 I CA -0.231 61.082 61.300 0.021 0.000 1.142 605 I CB 1.353 39.376 38.000 0.039 0.000 1.289 605 I HN 0.493 nan 8.210 nan 0.000 0.453 606 L N 7.222 128.443 121.223 -0.003 0.000 2.325 606 L HA 0.380 4.757 4.340 0.063 0.000 0.284 606 L C 0.060 177.032 176.870 0.170 0.000 1.089 606 L CA -0.294 54.600 54.840 0.091 0.000 0.836 606 L CB 0.137 42.114 42.059 -0.137 0.000 1.184 606 L HN 0.436 nan 8.230 nan 0.000 0.444 607 L N 3.604 124.972 121.223 0.243 0.000 2.456 607 L HA 0.309 4.687 4.340 0.063 0.000 0.257 607 L C 0.209 177.260 176.870 0.301 0.000 1.162 607 L CA -0.409 54.530 54.840 0.166 0.000 0.808 607 L CB 0.894 42.954 42.059 0.000 0.000 1.136 607 L HN 0.702 nan 8.230 nan 0.000 0.466 608 N N -2.023 116.755 118.700 0.130 0.000 2.701 608 N HA 0.239 5.017 4.740 0.063 0.000 0.290 608 N C -0.297 175.169 175.510 -0.074 0.000 1.338 608 N CA -0.744 52.422 53.050 0.193 0.000 0.799 608 N CB 0.658 39.258 38.487 0.187 0.000 1.491 608 N HN 0.546 nan 8.380 nan 0.000 0.540 609 D N -2.073 118.333 120.400 0.011 0.000 2.363 609 D HA -0.038 4.640 4.640 0.063 0.000 0.226 609 D C -0.245 176.016 176.300 -0.065 0.000 1.020 609 D CA 0.673 54.613 54.000 -0.099 0.000 0.892 609 D CB -0.071 40.749 40.800 0.034 0.000 0.900 609 D HN 0.711 nan 8.370 nan 0.000 0.531 610 E N 0.416 120.597 120.200 -0.032 0.000 3.626 610 E HA 0.240 4.628 4.350 0.063 0.000 0.245 610 E C -1.241 175.345 176.600 -0.024 0.000 1.236 610 E CA -0.477 55.906 56.400 -0.029 0.000 1.072 610 E CB 0.569 30.262 29.700 -0.011 0.000 1.309 610 E HN -0.112 nan 8.360 nan 0.000 0.400 611 V N 2.118 122.009 119.914 -0.038 0.000 2.763 611 V HA 0.057 4.215 4.120 0.063 0.000 0.306 611 V C 0.880 176.960 176.094 -0.023 0.000 1.059 611 V CA 0.195 62.481 62.300 -0.024 0.000 1.138 611 V CB 0.871 32.674 31.823 -0.034 0.000 0.940 611 V HN 0.506 nan 8.190 nan 0.000 0.489 612 R N 3.004 123.492 120.500 -0.020 0.000 2.345 612 R HA 0.075 4.452 4.340 0.063 0.000 0.331 612 R C 1.554 177.835 176.300 -0.032 0.000 1.067 612 R CA 0.483 56.566 56.100 -0.028 0.000 0.962 612 R CB 0.459 30.738 30.300 -0.036 0.000 0.987 612 R HN 1.002 nan 8.270 nan 0.000 0.451 613 S N 3.436 119.118 115.700 -0.029 0.000 2.399 613 S HA -0.185 4.322 4.470 0.063 0.000 0.231 613 S C 1.937 176.520 174.600 -0.029 0.000 1.022 613 S CA 0.900 59.083 58.200 -0.027 0.000 0.983 613 S CB -0.044 63.141 63.200 -0.024 0.000 0.803 613 S HN 0.689 nan 8.310 nan 0.000 0.480 614 A N 1.999 124.798 122.820 -0.034 0.000 1.972 614 A HA -0.087 4.271 4.320 0.063 0.000 0.219 614 A C 1.955 179.508 177.584 -0.053 0.000 1.169 614 A CA 1.600 53.614 52.037 -0.039 0.000 0.635 614 A CB -0.745 18.230 19.000 -0.041 0.000 0.810 614 A HN 0.495 nan 8.150 nan 0.000 0.446 615 D N -0.498 119.862 120.400 -0.066 0.000 2.097 615 D HA -0.106 4.572 4.640 0.063 0.000 0.197 615 D C 1.848 178.116 176.300 -0.053 0.000 0.984 615 D CA 1.112 55.055 54.000 -0.095 0.000 0.826 615 D CB -0.357 40.377 40.800 -0.110 0.000 0.973 615 D HN 0.326 nan 8.370 nan 0.000 0.460 616 L N 0.430 121.635 121.223 -0.030 0.000 2.046 616 L HA -0.107 4.271 4.340 0.063 0.000 0.208 616 L C 2.120 178.988 176.870 -0.002 0.000 1.077 616 L CA 1.109 55.944 54.840 -0.009 0.000 0.747 616 L CB -0.598 41.455 42.059 -0.010 0.000 0.896 616 L HN -0.033 nan 8.230 nan 0.000 0.432 617 L N -0.206 121.011 121.223 -0.010 0.000 1.990 617 L HA -0.246 4.132 4.340 0.063 0.000 0.213 617 L C 2.614 179.484 176.870 0.001 0.000 1.072 617 L CA 2.275 57.112 54.840 -0.005 0.000 0.755 617 L CB -1.194 40.858 42.059 -0.011 0.000 0.889 617 L HN 0.357 nan 8.230 nan 0.000 0.432 618 A N -1.071 121.745 122.820 -0.006 0.000 1.933 618 A HA -0.165 4.193 4.320 0.063 0.000 0.218 618 A C 2.277 179.882 177.584 0.036 0.000 1.175 618 A CA 1.869 53.910 52.037 0.006 0.000 0.628 618 A CB -0.718 18.273 19.000 -0.015 0.000 0.814 618 A HN 0.446 nan 8.150 nan 0.000 0.444 619 I N -0.404 120.190 120.570 0.040 0.000 2.193 619 I HA -0.210 3.998 4.170 0.063 0.000 0.240 619 I C 2.300 178.450 176.117 0.055 0.000 1.084 619 I CA 0.999 62.346 61.300 0.079 0.000 1.365 619 I CB -0.294 37.758 38.000 0.087 0.000 1.064 619 I HN 0.265 nan 8.210 nan 0.000 0.410 620 L N 0.660 121.905 121.223 0.037 0.000 2.083 620 L HA -0.222 4.156 4.340 0.063 0.000 0.209 620 L C 2.593 179.477 176.870 0.024 0.000 1.083 620 L CA 1.362 56.221 54.840 0.030 0.000 0.752 620 L CB -0.672 41.402 42.059 0.025 0.000 0.899 620 L HN 0.258 nan 8.230 nan 0.000 0.433 621 K N 0.801 121.214 120.400 0.022 0.000 2.057 621 K HA -0.176 4.181 4.320 0.063 0.000 0.207 621 K C 2.143 178.754 176.600 0.018 0.000 1.049 621 K CA 1.432 57.729 56.287 0.017 0.000 0.931 621 K CB -0.089 32.419 32.500 0.014 0.000 0.714 621 K HN 0.236 nan 8.250 nan 0.000 0.440 622 A N 1.168 124.005 122.820 0.027 0.000 1.929 622 A HA -0.035 4.322 4.320 0.063 0.000 0.216 622 A C 2.106 179.697 177.584 0.012 0.000 1.176 622 A CA 1.030 53.083 52.037 0.026 0.000 0.628 622 A CB -0.489 18.539 19.000 0.046 0.000 0.816 622 A HN 0.316 nan 8.150 nan 0.000 0.444 623 L N -0.667 120.565 121.223 0.014 0.000 2.056 623 L HA -0.181 4.197 4.340 0.063 0.000 0.207 623 L C 2.623 179.478 176.870 -0.025 0.000 1.078 623 L CA 1.870 56.706 54.840 -0.006 0.000 0.749 623 L CB -0.464 41.599 42.059 0.007 0.000 0.901 623 L HN 0.431 nan 8.230 nan 0.000 0.433 624 K N 0.535 120.929 120.400 -0.010 0.000 2.063 624 K HA -0.206 4.152 4.320 0.063 0.000 0.208 624 K C 2.077 178.664 176.600 -0.022 0.000 1.048 624 K CA 1.452 57.730 56.287 -0.014 0.000 0.928 624 K CB -0.118 32.385 32.500 0.004 0.000 0.713 624 K HN 0.280 nan 8.250 nan 0.000 0.442 625 A N 0.887 123.699 122.820 -0.013 0.000 2.070 625 A HA -0.117 4.241 4.320 0.063 0.000 0.220 625 A C 1.509 179.079 177.584 -0.023 0.000 1.159 625 A CA 1.323 53.352 52.037 -0.013 0.000 0.656 625 A CB -0.076 18.922 19.000 -0.004 0.000 0.800 625 A HN 0.193 nan 8.150 nan 0.000 0.453 626 K N -1.562 118.816 120.400 -0.035 0.000 2.387 626 K HA 0.217 4.575 4.320 0.063 0.000 0.203 626 K C 0.853 177.405 176.600 -0.079 0.000 1.030 626 K CA 0.545 56.805 56.287 -0.045 0.000 1.099 626 K CB 0.308 32.786 32.500 -0.036 0.000 0.863 626 K HN 0.626 nan 8.250 nan 0.000 0.529 627 G N 1.880 110.619 108.800 -0.102 0.000 2.198 627 G HA2 -0.234 3.764 3.960 0.063 0.000 0.260 627 G HA3 -0.234 3.764 3.960 0.063 0.000 0.260 627 G C 0.069 174.768 174.900 -0.336 0.000 1.025 627 G CA 0.253 45.245 45.100 -0.180 0.000 0.769 627 G HN 0.117 nan 8.290 nan 0.000 0.507 628 V N 2.181 121.938 119.914 -0.260 0.000 2.439 628 V HA 0.464 4.622 4.120 0.063 0.000 0.282 628 V C 0.644 176.579 176.094 -0.265 0.000 1.039 628 V CA -1.158 60.980 62.300 -0.270 0.000 0.913 628 V CB 1.291 33.051 31.823 -0.105 0.000 0.983 628 V HN 0.364 nan 8.190 nan 0.000 0.460 629 H N 2.438 121.520 119.070 0.019 0.000 2.508 629 H HA 0.764 5.357 4.556 0.063 0.000 0.358 629 H C 0.135 175.483 175.328 0.033 0.000 1.212 629 H CA -0.227 55.835 56.048 0.023 0.000 1.356 629 H CB 1.841 31.617 29.762 0.024 0.000 1.525 629 H HN 0.766 nan 8.280 nan 0.000 0.578 630 A N 1.496 124.414 122.820 0.164 0.000 2.374 630 A HA 0.541 4.898 4.320 0.063 0.000 0.317 630 A C -0.589 177.052 177.584 0.095 0.000 1.094 630 A CA -0.925 51.176 52.037 0.106 0.000 0.765 630 A CB 1.204 20.250 19.000 0.077 0.000 1.268 630 A HN 0.744 nan 8.150 nan 0.000 0.438 631 K N 2.302 122.753 120.400 0.085 0.000 2.376 631 K HA 0.691 5.049 4.320 0.063 0.000 0.257 631 K C -1.610 175.021 176.600 0.053 0.000 0.939 631 K CA -0.479 55.851 56.287 0.071 0.000 0.809 631 K CB 1.444 33.997 32.500 0.088 0.000 1.121 631 K HN 0.507 nan 8.250 nan 0.000 0.425 632 L N 5.233 126.477 121.223 0.035 0.000 2.265 632 L HA 0.410 4.788 4.340 0.063 0.000 0.288 632 L C -0.499 176.378 176.870 0.012 0.000 1.058 632 L CA -0.830 54.023 54.840 0.022 0.000 0.809 632 L CB 0.543 42.606 42.059 0.006 0.000 1.179 632 L HN 0.544 nan 8.230 nan 0.000 0.429 633 L N 3.523 124.757 121.223 0.018 0.000 2.333 633 L HA 0.611 4.989 4.340 0.063 0.000 0.269 633 L C -0.916 175.883 176.870 -0.117 0.000 1.010 633 L CA -0.801 54.010 54.840 -0.048 0.000 0.818 633 L CB 2.061 44.121 42.059 0.002 0.000 1.306 633 L HN 0.400 nan 8.230 nan 0.000 0.430 634 Y N -0.597 119.295 120.300 -0.681 0.000 2.900 634 Y HA 0.195 4.782 4.550 0.063 0.000 0.318 634 Y C 0.731 175.860 175.900 -1.286 0.000 1.457 634 Y CA -0.683 56.894 58.100 -0.873 0.000 1.082 634 Y CB 1.592 39.861 38.460 -0.318 0.000 1.419 634 Y HN 0.548 nan 8.280 nan 0.000 0.459 635 S N 0.578 115.396 115.700 -1.469 0.000 2.593 635 S HA 0.280 4.787 4.470 0.063 0.000 0.217 635 S C 0.021 174.339 174.600 -0.470 0.000 0.966 635 S CA 0.218 57.908 58.200 -0.850 0.000 0.914 635 S CB -0.174 62.671 63.200 -0.591 0.000 0.776 635 S HN 0.606 nan 8.310 nan 0.000 0.523 636 R N -1.224 119.069 120.500 -0.346 0.000 2.795 636 R HA 0.665 5.043 4.340 0.063 0.000 0.268 636 R C -0.834 175.454 176.300 -0.020 0.000 1.041 636 R CA -1.132 54.901 56.100 -0.112 0.000 0.927 636 R CB 0.507 30.789 30.300 -0.030 0.000 1.235 636 R HN -0.059 nan 8.270 nan 0.000 0.463 637 M N -0.093 119.503 119.600 -0.006 0.000 2.336 637 M HA 0.561 5.079 4.480 0.063 0.000 0.256 637 M C 0.928 177.243 176.300 0.025 0.000 1.176 637 M CA 0.649 55.952 55.300 0.006 0.000 0.948 637 M CB 0.643 33.239 32.600 -0.006 0.000 1.393 637 M HN 1.042 nan 8.290 nan 0.000 0.528 638 G N 0.880 109.686 108.800 0.011 0.000 2.601 638 G HA2 -0.129 3.869 3.960 0.063 0.000 0.224 638 G HA3 -0.129 3.869 3.960 0.063 0.000 0.224 638 G C -0.925 173.969 174.900 -0.009 0.000 1.171 638 G CA -0.486 44.617 45.100 0.005 0.000 1.009 638 G HN 0.624 nan 8.290 nan 0.000 0.589 639 E N -0.972 119.215 120.200 -0.022 0.000 2.369 639 E HA 0.628 5.016 4.350 0.063 0.000 0.270 639 E C -0.376 176.164 176.600 -0.101 0.000 0.909 639 E CA -0.529 55.838 56.400 -0.054 0.000 0.775 639 E CB 2.930 32.606 29.700 -0.041 0.000 1.270 639 E HN 1.265 nan 8.360 nan 0.000 0.445 640 V N -1.804 118.015 119.914 -0.158 0.000 3.001 640 V HA 0.707 4.864 4.120 0.063 0.000 0.314 640 V C -0.477 175.534 176.094 -0.139 0.000 1.099 640 V CA -0.705 61.469 62.300 -0.210 0.000 0.989 640 V CB 1.944 33.512 31.823 -0.425 0.000 1.040 640 V HN 0.623 nan 8.190 nan 0.000 0.434 641 T N 2.729 117.216 114.554 -0.112 0.000 2.794 641 T HA 0.773 5.161 4.350 0.063 0.000 0.280 641 T C 0.386 175.042 174.700 -0.072 0.000 0.987 641 T CA 0.322 62.377 62.100 -0.075 0.000 0.993 641 T CB 1.377 70.215 68.868 -0.051 0.000 0.939 641 T HN 1.355 nan 8.240 nan 0.000 0.449 642 A N 2.259 125.043 122.820 -0.059 0.000 2.292 642 A HA 0.348 4.705 4.320 0.063 0.000 0.265 642 A C 1.536 179.098 177.584 -0.036 0.000 1.133 642 A CA -0.328 51.679 52.037 -0.049 0.000 0.807 642 A CB 0.028 19.003 19.000 -0.041 0.000 1.102 642 A HN 0.900 nan 8.150 nan 0.000 0.502 643 D N -0.425 119.957 120.400 -0.030 0.000 2.263 643 D HA -0.169 4.509 4.640 0.063 0.000 0.208 643 D C 0.543 176.830 176.300 -0.022 0.000 0.971 643 D CA 1.465 55.451 54.000 -0.024 0.000 0.867 643 D CB -0.244 40.543 40.800 -0.021 0.000 0.929 643 D HN 0.575 nan 8.370 nan 0.000 0.492 644 D N -1.469 118.918 120.400 -0.022 0.000 2.368 644 D HA 0.210 4.888 4.640 0.063 0.000 0.218 644 D C 1.593 177.882 176.300 -0.019 0.000 1.112 644 D CA 0.307 54.295 54.000 -0.019 0.000 0.834 644 D CB -0.030 40.760 40.800 -0.018 0.000 0.953 644 D HN 0.334 nan 8.370 nan 0.000 0.505 645 G N -0.130 108.657 108.800 -0.022 0.000 2.175 645 G HA2 -0.260 3.737 3.960 0.063 0.000 0.244 645 G HA3 -0.260 3.737 3.960 0.063 0.000 0.244 645 G C 0.407 175.293 174.900 -0.023 0.000 0.982 645 G CA 0.206 45.293 45.100 -0.021 0.000 0.641 645 G HN 0.421 nan 8.290 nan 0.000 0.527 646 T N 1.593 116.132 114.554 -0.025 0.000 2.853 646 T HA 0.412 4.800 4.350 0.063 0.000 0.298 646 T C 0.694 175.374 174.700 -0.033 0.000 0.978 646 T CA 0.072 62.157 62.100 -0.025 0.000 1.152 646 T CB 1.920 70.774 68.868 -0.023 0.000 0.914 646 T HN 0.415 nan 8.240 nan 0.000 0.539 647 V N 6.267 126.163 119.914 -0.029 0.000 2.427 647 V HA 0.220 4.378 4.120 0.063 0.000 0.268 647 V C 0.319 176.390 176.094 -0.038 0.000 1.046 647 V CA -0.352 61.927 62.300 -0.036 0.000 0.970 647 V CB 0.340 32.146 31.823 -0.028 0.000 1.001 647 V HN 0.685 nan 8.190 nan 0.000 0.476 648 L N 8.749 129.940 121.223 -0.055 0.000 2.262 648 L HA 0.433 4.810 4.340 0.063 0.000 0.288 648 L C -2.222 174.616 176.870 -0.053 0.000 1.035 648 L CA -1.795 53.013 54.840 -0.053 0.000 0.820 648 L CB 1.717 43.732 42.059 -0.073 0.000 1.204 648 L HN 0.436 nan 8.230 nan 0.000 0.424 649 P HA 0.206 nan 4.420 nan 0.000 0.275 649 P C -0.516 176.768 177.300 -0.026 0.000 1.227 649 P CA -0.074 63.011 63.100 -0.026 0.000 0.781 649 P CB 1.010 32.702 31.700 -0.013 0.000 0.906 650 I N 1.803 122.360 120.570 -0.023 0.000 2.331 650 I HA 0.251 4.458 4.170 0.063 0.000 0.292 650 I C 1.513 177.625 176.117 -0.008 0.000 0.998 650 I CA -0.468 60.821 61.300 -0.017 0.000 1.267 650 I CB 1.518 39.515 38.000 -0.005 0.000 1.386 650 I HN 0.362 nan 8.210 nan 0.000 0.476 651 A N 5.256 128.074 122.820 -0.003 0.000 1.930 651 A HA 0.546 4.903 4.320 0.063 0.000 0.215 651 A C 0.959 178.547 177.584 0.006 0.000 1.176 651 A CA 1.227 53.269 52.037 0.008 0.000 0.632 651 A CB 0.018 19.032 19.000 0.022 0.000 0.819 651 A HN 0.826 nan 8.150 nan 0.000 0.445 652 A N -2.053 120.763 122.820 -0.006 0.000 2.586 652 A HA 0.553 4.911 4.320 0.063 0.000 0.291 652 A C -0.044 177.500 177.584 -0.067 0.000 1.062 652 A CA 0.036 52.068 52.037 -0.009 0.000 0.666 652 A CB -0.289 18.733 19.000 0.037 0.000 1.281 652 A HN 0.771 nan 8.150 nan 0.000 0.421 653 T N -1.277 113.230 114.554 -0.078 0.000 2.816 653 T HA 0.534 4.921 4.350 0.063 0.000 0.282 653 T C 1.026 175.683 174.700 -0.072 0.000 0.993 653 T CA 0.159 62.145 62.100 -0.191 0.000 0.994 653 T CB 0.018 68.805 68.868 -0.136 0.000 1.025 653 T HN 0.482 nan 8.240 nan 0.000 0.529 654 F N 0.532 120.503 119.950 0.034 0.000 2.120 654 F HA -0.056 4.509 4.527 0.063 0.000 0.300 654 F C 2.956 178.886 175.800 0.217 0.000 1.095 654 F CA 1.054 59.124 58.000 0.118 0.000 1.249 654 F CB -0.636 38.408 39.000 0.073 0.000 0.995 654 F HN 0.704 nan 8.300 nan 0.000 0.480 655 A N 0.200 123.192 122.820 0.288 0.000 1.968 655 A HA 0.052 4.410 4.320 0.063 0.000 0.217 655 A C 2.416 180.074 177.584 0.122 0.000 1.169 655 A CA 1.363 53.508 52.037 0.180 0.000 0.638 655 A CB -1.363 17.702 19.000 0.108 0.000 0.812 655 A HN 0.391 nan 8.150 nan 0.000 0.446 656 G N -0.775 108.085 108.800 0.101 0.000 2.421 656 G HA2 0.276 4.273 3.960 0.063 0.000 0.217 656 G HA3 0.276 4.273 3.960 0.063 0.000 0.217 656 G C 0.654 175.608 174.900 0.090 0.000 1.143 656 G CA 0.978 46.118 45.100 0.067 0.000 0.784 656 G HN 1.084 nan 8.290 nan 0.000 0.541 657 A N 1.037 123.947 122.820 0.150 0.000 2.893 657 A HA 0.683 5.040 4.320 0.063 0.000 0.333 657 A C -2.591 175.147 177.584 0.256 0.000 1.152 657 A CA -1.167 50.971 52.037 0.168 0.000 0.782 657 A CB 1.354 20.451 19.000 0.162 0.000 1.108 657 A HN 0.123 nan 8.150 nan 0.000 0.469 658 P HA 0.063 nan 4.420 nan 0.000 0.271 658 P C 1.304 178.448 177.300 -0.260 0.000 1.244 658 P CA 0.267 63.331 63.100 -0.060 0.000 0.793 658 P CB 0.725 32.372 31.700 -0.088 0.000 0.984 659 S N 0.281 115.470 115.700 -0.853 0.000 2.440 659 S HA -0.155 4.353 4.470 0.063 0.000 0.238 659 S C 1.897 176.356 174.600 -0.235 0.000 1.010 659 S CA 1.029 58.864 58.200 -0.608 0.000 0.972 659 S CB -1.406 61.343 63.200 -0.752 0.000 0.774 659 S HN 0.359 nan 8.310 nan 0.000 0.501 660 L N 1.882 122.972 121.223 -0.222 0.000 2.129 660 L HA -0.111 4.267 4.340 0.063 0.000 0.212 660 L C 2.957 179.663 176.870 -0.274 0.000 1.087 660 L CA 1.679 56.386 54.840 -0.222 0.000 0.757 660 L CB -1.519 40.384 42.059 -0.260 0.000 0.896 660 L HN 0.637 nan 8.230 nan 0.000 0.434 661 T N -3.176 111.287 114.554 -0.153 0.000 3.129 661 T HA 0.203 4.591 4.350 0.063 0.000 0.251 661 T C 0.403 175.204 174.700 0.168 0.000 1.117 661 T CA 0.197 62.299 62.100 0.003 0.000 1.034 661 T CB -0.395 68.562 68.868 0.150 0.000 0.968 661 T HN 0.176 nan 8.240 nan 0.000 0.526 662 V N -2.665 117.303 119.914 0.090 0.000 3.126 662 V HA 0.576 4.733 4.120 0.063 0.000 0.314 662 V C -0.197 175.943 176.094 0.076 0.000 1.138 662 V CA -0.978 61.398 62.300 0.127 0.000 1.034 662 V CB 2.134 34.047 31.823 0.150 0.000 1.075 662 V HN -0.005 nan 8.190 nan 0.000 0.442 663 D N 0.892 121.339 120.400 0.078 0.000 2.367 663 D HA 0.506 5.183 4.640 0.063 0.000 0.207 663 D C 0.540 176.825 176.300 -0.025 0.000 1.034 663 D CA 1.430 55.450 54.000 0.032 0.000 0.861 663 D CB 1.494 42.336 40.800 0.070 0.000 0.943 663 D HN 1.004 nan 8.370 nan 0.000 0.515 664 A N 0.148 122.969 122.820 0.001 0.000 2.597 664 A HA 0.515 4.873 4.320 0.063 0.000 0.292 664 A C -1.572 176.026 177.584 0.023 0.000 1.057 664 A CA -0.563 51.461 52.037 -0.022 0.000 0.674 664 A CB 1.424 20.397 19.000 -0.044 0.000 1.278 664 A HN -0.102 nan 8.150 nan 0.000 0.416 665 V N 1.376 121.296 119.914 0.011 0.000 2.656 665 V HA 0.626 4.784 4.120 0.063 0.000 0.307 665 V C -0.602 175.494 176.094 0.004 0.000 1.051 665 V CA -0.265 62.056 62.300 0.035 0.000 0.893 665 V CB 1.603 33.462 31.823 0.060 0.000 0.999 665 V HN 0.719 nan 8.190 nan 0.000 0.426 666 I N 3.890 124.470 120.570 0.017 0.000 2.545 666 I HA 0.599 4.806 4.170 0.063 0.000 0.292 666 I C -1.024 175.120 176.117 0.044 0.000 1.040 666 I CA -0.973 60.364 61.300 0.061 0.000 1.068 666 I CB 2.460 40.525 38.000 0.108 0.000 1.251 666 I HN 0.276 nan 8.210 nan 0.000 0.424 667 V N 6.909 126.869 119.914 0.077 0.000 2.409 667 V HA 0.366 4.524 4.120 0.063 0.000 0.290 667 V C -2.199 173.956 176.094 0.100 0.000 1.017 667 V CA -1.503 60.829 62.300 0.053 0.000 0.841 667 V CB 1.448 33.276 31.823 0.008 0.000 1.003 667 V HN 0.551 nan 8.190 nan 0.000 0.426 668 P HA 0.255 nan 4.420 nan 0.000 0.276 668 P C 0.153 177.474 177.300 0.035 0.000 1.261 668 P CA -0.274 62.843 63.100 0.028 0.000 0.800 668 P CB 1.281 32.988 31.700 0.011 0.000 1.066 669 C N -0.293 119.003 119.300 -0.007 0.000 2.705 669 C HA 0.755 5.252 4.460 0.063 0.000 0.311 669 C C 1.273 176.270 174.990 0.011 0.000 1.576 669 C CA 1.458 60.479 59.018 0.006 0.000 2.161 669 C CB -0.443 27.280 27.740 -0.027 0.000 2.032 669 C HN 0.929 nan 8.230 nan 0.000 0.616 670 G N 1.254 110.059 108.800 0.008 0.000 2.240 670 G HA2 -0.008 3.989 3.960 0.063 0.000 0.199 670 G HA3 -0.008 3.989 3.960 0.063 0.000 0.199 670 G C -0.965 173.945 174.900 0.017 0.000 1.342 670 G CA 0.035 45.140 45.100 0.008 0.000 1.145 670 G HN 0.905 nan 8.290 nan 0.000 0.477 671 N N 1.814 120.530 118.700 0.027 0.000 2.895 671 N HA 0.259 5.036 4.740 0.063 0.000 0.277 671 N C 1.689 177.232 175.510 0.055 0.000 1.185 671 N CA -0.423 52.647 53.050 0.033 0.000 1.106 671 N CB -0.217 38.291 38.487 0.035 0.000 1.422 671 N HN 0.401 nan 8.380 nan 0.000 0.521 672 I N 1.056 121.647 120.570 0.036 0.000 2.454 672 I HA -0.184 4.024 4.170 0.063 0.000 0.254 672 I C 1.968 178.088 176.117 0.006 0.000 1.156 672 I CA 0.628 61.951 61.300 0.038 0.000 1.433 672 I CB -1.369 36.626 38.000 -0.008 0.000 1.082 672 I HN 0.483 nan 8.210 nan 0.000 0.432 673 A N 0.636 123.452 122.820 -0.005 0.000 2.024 673 A HA -0.273 4.085 4.320 0.063 0.000 0.220 673 A C 2.057 179.659 177.584 0.030 0.000 1.164 673 A CA 2.007 54.038 52.037 -0.011 0.000 0.643 673 A CB -0.688 18.307 19.000 -0.009 0.000 0.806 673 A HN 0.424 nan 8.150 nan 0.000 0.451 674 D N 0.190 120.634 120.400 0.074 0.000 2.178 674 D HA -0.133 4.545 4.640 0.063 0.000 0.201 674 D C 1.540 177.925 176.300 0.141 0.000 0.980 674 D CA 1.691 55.762 54.000 0.119 0.000 0.842 674 D CB -0.173 40.732 40.800 0.175 0.000 0.948 674 D HN 0.654 nan 8.370 nan 0.000 0.472 675 I N -4.261 116.407 120.570 0.163 0.000 4.288 675 I HA 0.477 4.685 4.170 0.063 0.000 0.331 675 I C 1.945 178.176 176.117 0.191 0.000 1.322 675 I CA -0.051 61.376 61.300 0.212 0.000 1.149 675 I CB 0.057 38.243 38.000 0.310 0.000 1.112 675 I HN -0.100 nan 8.210 nan 0.000 0.403 676 A N 1.796 124.636 122.820 0.033 0.000 1.948 676 A HA -0.207 4.151 4.320 0.063 0.000 0.220 676 A C 1.572 179.121 177.584 -0.058 0.000 1.177 676 A CA 2.358 54.287 52.037 -0.178 0.000 0.636 676 A CB -0.577 18.268 19.000 -0.258 0.000 0.815 676 A HN 0.543 nan 8.150 nan 0.000 0.449 677 D N -0.784 119.617 120.400 0.002 0.000 2.402 677 D HA 0.043 4.720 4.640 0.063 0.000 0.216 677 D C 0.031 176.359 176.300 0.047 0.000 1.128 677 D CA -0.189 53.821 54.000 0.017 0.000 0.833 677 D CB -0.228 40.573 40.800 0.003 0.000 0.971 677 D HN 0.376 nan 8.370 nan 0.000 0.503 678 N N 0.985 119.730 118.700 0.076 0.000 2.430 678 N HA 0.045 4.823 4.740 0.063 0.000 0.265 678 N C 1.328 176.878 175.510 0.066 0.000 1.100 678 N CA 0.033 53.127 53.050 0.074 0.000 0.961 678 N CB 1.591 40.140 38.487 0.103 0.000 1.075 678 N HN -0.000 nan 8.380 nan 0.000 0.478 679 G N 3.192 112.028 108.800 0.060 0.000 2.418 679 G HA2 -0.241 3.757 3.960 0.063 0.000 0.217 679 G HA3 -0.241 3.757 3.960 0.063 0.000 0.217 679 G C 0.960 175.910 174.900 0.084 0.000 1.158 679 G CA 0.491 45.629 45.100 0.062 0.000 0.771 679 G HN 0.604 nan 8.290 nan 0.000 0.545 680 D N 0.933 121.387 120.400 0.091 0.000 2.117 680 D HA -0.007 4.671 4.640 0.063 0.000 0.197 680 D C 2.807 179.096 176.300 -0.018 0.000 0.987 680 D CA 1.179 55.260 54.000 0.135 0.000 0.829 680 D CB -0.401 40.548 40.800 0.248 0.000 0.961 680 D HN 0.298 nan 8.370 nan 0.000 0.460 681 A N 0.987 123.623 122.820 -0.305 0.000 1.898 681 A HA -0.175 4.182 4.320 0.063 0.000 0.216 681 A C 2.026 179.406 177.584 -0.339 0.000 1.181 681 A CA 1.195 52.820 52.037 -0.685 0.000 0.620 681 A CB -0.442 18.105 19.000 -0.755 0.000 0.819 681 A HN 0.145 nan 8.150 nan 0.000 0.442 682 N N -1.490 117.165 118.700 -0.075 0.000 2.120 682 N HA -0.180 4.597 4.740 0.063 0.000 0.188 682 N C 1.677 177.180 175.510 -0.012 0.000 1.024 682 N CA 1.730 54.789 53.050 0.015 0.000 0.852 682 N CB -0.446 38.118 38.487 0.129 0.000 1.003 682 N HN 0.684 nan 8.380 nan 0.000 0.424 683 Y N 0.571 120.836 120.300 -0.058 0.000 2.224 683 Y HA -0.276 4.312 4.550 0.063 0.000 0.289 683 Y C 2.378 178.227 175.900 -0.085 0.000 1.146 683 Y CA 1.260 59.322 58.100 -0.063 0.000 1.182 683 Y CB -0.361 38.071 38.460 -0.048 0.000 0.983 683 Y HN 0.033 nan 8.280 nan 0.000 0.524 684 Y N 0.358 120.517 120.300 -0.235 0.000 2.114 684 Y HA -0.339 4.249 4.550 0.063 0.000 0.282 684 Y C 2.071 177.761 175.900 -0.350 0.000 1.165 684 Y CA 2.182 60.113 58.100 -0.281 0.000 1.148 684 Y CB -0.477 37.814 38.460 -0.282 0.000 0.972 684 Y HN 0.136 nan 8.280 nan 0.000 0.504 685 L N -1.258 119.874 121.223 -0.151 0.000 2.109 685 L HA -0.224 4.153 4.340 0.063 0.000 0.207 685 L C 2.390 179.130 176.870 -0.216 0.000 1.086 685 L CA 1.197 55.930 54.840 -0.177 0.000 0.760 685 L CB -0.444 41.470 42.059 -0.242 0.000 0.910 685 L HN 0.284 nan 8.230 nan 0.000 0.437 686 M N -0.622 118.793 119.600 -0.308 0.000 2.132 686 M HA -0.211 4.307 4.480 0.063 0.000 0.263 686 M C 2.234 178.275 176.300 -0.432 0.000 1.065 686 M CA 1.631 56.748 55.300 -0.306 0.000 1.122 686 M CB -0.337 32.087 32.600 -0.294 0.000 1.365 686 M HN 0.197 nan 8.290 nan 0.000 0.411 687 E N 0.634 120.368 120.200 -0.777 0.000 2.051 687 E HA -0.206 4.182 4.350 0.063 0.000 0.192 687 E C 1.986 178.214 176.600 -0.621 0.000 0.991 687 E CA 1.418 57.332 56.400 -0.811 0.000 0.799 687 E CB 0.007 29.175 29.700 -0.886 0.000 0.748 687 E HN 0.475 nan 8.360 nan 0.000 0.449 688 A N 0.221 122.795 122.820 -0.411 0.000 1.902 688 A HA -0.212 4.146 4.320 0.063 0.000 0.217 688 A C 2.038 179.521 177.584 -0.168 0.000 1.181 688 A CA 1.501 53.394 52.037 -0.239 0.000 0.623 688 A CB -0.925 17.988 19.000 -0.145 0.000 0.818 688 A HN 0.556 nan 8.150 nan 0.000 0.443 689 Y N 0.568 120.709 120.300 -0.266 0.000 2.145 689 Y HA -0.226 4.362 4.550 0.063 0.000 0.286 689 Y C 2.406 178.187 175.900 -0.199 0.000 1.145 689 Y CA 2.358 60.333 58.100 -0.208 0.000 1.148 689 Y CB -0.252 38.099 38.460 -0.181 0.000 0.981 689 Y HN 0.326 nan 8.280 nan 0.000 0.507 690 K N -0.657 119.632 120.400 -0.183 0.000 2.103 690 K HA -0.231 4.127 4.320 0.063 0.000 0.207 690 K C 1.062 177.570 176.600 -0.153 0.000 1.048 690 K CA 2.068 58.230 56.287 -0.209 0.000 0.930 690 K CB -0.436 31.886 32.500 -0.296 0.000 0.716 690 K HN 0.590 nan 8.250 nan 0.000 0.444 691 H N 0.248 119.196 119.070 -0.203 0.000 2.538 691 H HA 0.185 4.779 4.556 0.063 0.000 0.286 691 H C -0.040 175.124 175.328 -0.273 0.000 1.035 691 H CA 0.118 56.041 56.048 -0.207 0.000 1.169 691 H CB 0.140 29.778 29.762 -0.207 0.000 1.417 691 H HN 0.121 nan 8.280 nan 0.000 0.567 692 L N -0.035 121.043 121.223 -0.242 0.000 4.089 692 L HA -0.271 4.107 4.340 0.063 0.000 0.408 692 L C -0.329 176.281 176.870 -0.433 0.000 1.184 692 L CA 0.590 55.193 54.840 -0.396 0.000 0.947 692 L CB -1.715 40.084 42.059 -0.433 0.000 2.066 692 L HN 0.312 nan 8.230 nan 0.000 0.851 693 K N 0.901 121.114 120.400 -0.310 0.000 2.174 693 K HA 0.447 4.804 4.320 0.063 0.000 0.275 693 K C -2.105 174.360 176.600 -0.226 0.000 1.015 693 K CA -1.767 54.358 56.287 -0.271 0.000 0.933 693 K CB 0.668 33.064 32.500 -0.174 0.000 1.025 693 K HN -0.205 nan 8.250 nan 0.000 0.463 694 P HA 0.029 nan 4.420 nan 0.000 0.266 694 P C -0.723 176.509 177.300 -0.112 0.000 1.195 694 P CA 0.443 63.440 63.100 -0.171 0.000 0.768 694 P CB 0.457 32.054 31.700 -0.171 0.000 0.838 695 I N 1.581 122.097 120.570 -0.089 0.000 2.582 695 I HA 0.641 4.848 4.170 0.063 0.000 0.292 695 I C -0.444 175.622 176.117 -0.085 0.000 1.066 695 I CA -0.894 60.371 61.300 -0.058 0.000 1.053 695 I CB 2.287 40.279 38.000 -0.012 0.000 1.241 695 I HN 0.269 nan 8.210 nan 0.000 0.421 696 A N 7.376 130.154 122.820 -0.070 0.000 2.374 696 A HA 0.892 5.250 4.320 0.063 0.000 0.305 696 A C -1.255 176.421 177.584 0.154 0.000 1.053 696 A CA -0.422 51.545 52.037 -0.116 0.000 0.726 696 A CB 1.166 19.938 19.000 -0.380 0.000 1.229 696 A HN 0.645 nan 8.150 nan 0.000 0.431 697 L N 2.052 123.438 121.223 0.271 0.000 2.406 697 L HA 0.737 5.114 4.340 0.063 0.000 0.272 697 L C 0.170 177.242 176.870 0.337 0.000 0.980 697 L CA -0.591 54.415 54.840 0.276 0.000 0.831 697 L CB 2.042 44.209 42.059 0.181 0.000 1.253 697 L HN 0.796 nan 8.230 nan 0.000 0.406 698 A N 2.239 125.166 122.820 0.178 0.000 2.330 698 A HA 0.881 5.238 4.320 0.063 0.000 0.327 698 A C 0.588 178.157 177.584 -0.025 0.000 1.155 698 A CA 0.271 52.271 52.037 -0.062 0.000 0.803 698 A CB 1.230 20.029 19.000 -0.334 0.000 1.208 698 A HN 1.008 nan 8.150 nan 0.000 0.477 699 G N 1.839 110.612 108.800 -0.045 0.000 2.574 699 G HA2 -0.310 3.688 3.960 0.063 0.000 0.286 699 G HA3 -0.310 3.688 3.960 0.063 0.000 0.286 699 G C 0.433 175.334 174.900 0.000 0.000 1.212 699 G CA 0.773 45.855 45.100 -0.029 0.000 0.979 699 G HN 0.708 nan 8.290 nan 0.000 0.557 700 D N 1.249 121.646 120.400 -0.005 0.000 2.378 700 D HA 0.248 4.926 4.640 0.063 0.000 0.222 700 D C 2.521 178.823 176.300 0.003 0.000 0.980 700 D CA 1.474 55.466 54.000 -0.012 0.000 0.907 700 D CB -0.572 40.215 40.800 -0.022 0.000 0.899 700 D HN 0.808 nan 8.370 nan 0.000 0.527 701 A N 0.269 123.129 122.820 0.066 0.000 2.172 701 A HA -0.125 4.233 4.320 0.063 0.000 0.216 701 A C 2.036 179.730 177.584 0.184 0.000 1.154 701 A CA 0.599 52.749 52.037 0.189 0.000 0.701 701 A CB -0.311 18.822 19.000 0.222 0.000 0.789 701 A HN 0.108 nan 8.150 nan 0.000 0.465 702 R N -0.190 120.363 120.500 0.089 0.000 2.241 702 R HA -0.045 4.333 4.340 0.063 0.000 0.224 702 R C 1.394 177.706 176.300 0.020 0.000 1.101 702 R CA 0.795 56.938 56.100 0.073 0.000 0.995 702 R CB -0.039 30.290 30.300 0.047 0.000 0.870 702 R HN 0.324 nan 8.270 nan 0.000 0.463 703 K N -0.126 120.239 120.400 -0.059 0.000 2.360 703 K HA -0.119 4.239 4.320 0.063 0.000 0.201 703 K C 1.367 177.855 176.600 -0.187 0.000 1.046 703 K CA 1.084 57.280 56.287 -0.152 0.000 0.945 703 K CB -0.074 32.276 32.500 -0.250 0.000 0.750 703 K HN 0.258 nan 8.250 nan 0.000 0.464 704 F N 1.420 121.347 119.950 -0.039 0.000 2.604 704 F HA -0.046 4.519 4.527 0.063 0.000 0.298 704 F C 2.079 177.831 175.800 -0.079 0.000 1.131 704 F CA 0.628 58.592 58.000 -0.060 0.000 1.457 704 F CB 0.004 38.967 39.000 -0.061 0.000 1.095 704 F HN -0.045 nan 8.300 nan 0.000 0.574 705 K N 0.330 120.779 120.400 0.083 0.000 2.160 705 K HA -0.228 4.129 4.320 0.063 0.000 0.206 705 K C 2.286 178.862 176.600 -0.039 0.000 1.047 705 K CA 1.207 57.496 56.287 0.002 0.000 0.930 705 K CB -0.342 32.155 32.500 -0.005 0.000 0.720 705 K HN 0.276 nan 8.250 nan 0.000 0.450 706 A N 0.626 123.428 122.820 -0.030 0.000 1.930 706 A HA -0.132 4.226 4.320 0.063 0.000 0.217 706 A C 2.105 179.661 177.584 -0.047 0.000 1.175 706 A CA 1.854 53.864 52.037 -0.046 0.000 0.627 706 A CB -0.739 18.232 19.000 -0.050 0.000 0.815 706 A HN 0.262 nan 8.150 nan 0.000 0.443 707 T N 0.691 115.237 114.554 -0.014 0.000 2.833 707 T HA -0.084 4.303 4.350 0.063 0.000 0.269 707 T C 1.397 176.032 174.700 -0.108 0.000 1.054 707 T CA 1.574 63.664 62.100 -0.017 0.000 1.135 707 T CB -0.475 68.436 68.868 0.071 0.000 0.869 707 T HN 0.733 nan 8.240 nan 0.000 0.466 708 I N -1.980 118.470 120.570 -0.200 0.000 3.927 708 I HA 0.456 4.664 4.170 0.063 0.000 0.332 708 I C -0.189 175.670 176.117 -0.431 0.000 1.485 708 I CA -0.674 60.362 61.300 -0.440 0.000 1.131 708 I CB -0.236 37.308 38.000 -0.761 0.000 1.092 708 I HN -0.093 nan 8.210 nan 0.000 0.410 709 K N 2.009 122.279 120.400 -0.217 0.000 3.148 709 K HA -0.118 4.240 4.320 0.063 0.000 0.267 709 K C -0.423 176.103 176.600 -0.123 0.000 0.996 709 K CA 0.329 56.534 56.287 -0.137 0.000 0.737 709 K CB -1.187 31.256 32.500 -0.095 0.000 1.308 709 K HN 0.377 nan 8.250 nan 0.000 0.470 710 I N 0.895 121.392 120.570 -0.122 0.000 2.395 710 I HA 0.229 4.437 4.170 0.063 0.000 0.289 710 I C 1.362 177.461 176.117 -0.031 0.000 1.023 710 I CA -0.633 60.629 61.300 -0.064 0.000 1.350 710 I CB 0.495 38.462 38.000 -0.054 0.000 1.409 710 I HN 0.280 nan 8.210 nan 0.000 0.507 711 A N 4.712 127.526 122.820 -0.011 0.000 2.483 711 A HA 0.057 4.414 4.320 0.063 0.000 0.238 711 A C 1.122 178.704 177.584 -0.003 0.000 1.070 711 A CA -0.162 51.871 52.037 -0.005 0.000 0.770 711 A CB -0.015 18.986 19.000 0.002 0.000 1.008 711 A HN 0.771 nan 8.150 nan 0.000 0.497 712 D N 0.363 120.761 120.400 -0.004 0.000 2.149 712 D HA -0.174 4.504 4.640 0.063 0.000 0.194 712 D C 1.755 178.058 176.300 0.004 0.000 1.001 712 D CA 1.932 55.931 54.000 -0.001 0.000 0.849 712 D CB 0.058 40.857 40.800 -0.002 0.000 0.939 712 D HN 0.580 nan 8.370 nan 0.000 0.449 713 Q N -0.107 119.696 119.800 0.005 0.000 2.364 713 Q HA 0.145 4.523 4.340 0.063 0.000 0.207 713 Q C 1.366 177.372 176.000 0.009 0.000 0.970 713 Q CA 0.987 56.794 55.803 0.007 0.000 0.888 713 Q CB -0.345 28.397 28.738 0.007 0.000 0.951 713 Q HN 0.300 nan 8.270 nan 0.000 0.469 714 G N 0.753 109.558 108.800 0.009 0.000 2.631 714 G HA2 -0.171 3.826 3.960 0.063 0.000 0.504 714 G HA3 -0.171 3.826 3.960 0.063 0.000 0.504 714 G C -1.246 173.662 174.900 0.013 0.000 1.306 714 G CA -0.278 44.828 45.100 0.011 0.000 0.897 714 G HN 0.176 nan 8.290 nan 0.000 0.520 715 E N -0.593 119.615 120.200 0.013 0.000 2.321 715 E HA 0.461 4.848 4.350 0.063 0.000 0.278 715 E C -0.406 176.193 176.600 -0.002 0.000 0.902 715 E CA -0.620 55.791 56.400 0.018 0.000 0.758 715 E CB 1.510 31.241 29.700 0.052 0.000 1.213 715 E HN 0.578 nan 8.360 nan 0.000 0.426 716 E N 1.031 121.222 120.200 -0.015 0.000 2.465 716 E HA 0.231 4.619 4.350 0.063 0.000 0.260 716 E C 0.672 177.235 176.600 -0.063 0.000 0.980 716 E CA 1.898 58.273 56.400 -0.041 0.000 0.927 716 E CB 0.574 30.247 29.700 -0.044 0.000 0.934 716 E HN 0.786 nan 8.360 nan 0.000 0.459 717 G N 3.326 112.075 108.800 -0.085 0.000 2.201 717 G HA2 -0.185 3.812 3.960 0.063 0.000 0.212 717 G HA3 -0.185 3.812 3.960 0.063 0.000 0.212 717 G C -0.058 174.794 174.900 -0.081 0.000 0.994 717 G CA -0.409 44.620 45.100 -0.118 0.000 0.644 717 G HN 0.404 nan 8.290 nan 0.000 0.508 718 I N 2.060 122.604 120.570 -0.043 0.000 2.382 718 I HA 0.498 4.706 4.170 0.063 0.000 0.286 718 I C 0.371 176.450 176.117 -0.064 0.000 1.002 718 I CA -1.247 60.036 61.300 -0.030 0.000 1.135 718 I CB 1.306 39.320 38.000 0.023 0.000 1.288 718 I HN -0.104 nan 8.210 nan 0.000 0.448 719 V N 7.323 127.159 119.914 -0.131 0.000 2.465 719 V HA 0.424 4.582 4.120 0.063 0.000 0.279 719 V C 0.200 176.250 176.094 -0.074 0.000 1.045 719 V CA -0.457 61.725 62.300 -0.197 0.000 0.938 719 V CB 1.377 32.913 31.823 -0.477 0.000 0.986 719 V HN 0.864 nan 8.190 nan 0.000 0.467 720 E N 4.042 124.280 120.200 0.063 0.000 2.366 720 E HA 0.899 5.287 4.350 0.063 0.000 0.278 720 E C -0.940 175.818 176.600 0.263 0.000 0.923 720 E CA -0.993 55.534 56.400 0.212 0.000 0.761 720 E CB 2.645 32.414 29.700 0.115 0.000 1.231 720 E HN 0.822 nan 8.360 nan 0.000 0.443 721 A N 1.629 124.606 122.820 0.261 0.000 2.540 721 A HA 0.351 4.708 4.320 0.063 0.000 0.291 721 A C -0.673 176.925 177.584 0.023 0.000 1.083 721 A CA -0.601 51.519 52.037 0.138 0.000 0.650 721 A CB 1.048 20.162 19.000 0.189 0.000 1.292 721 A HN 0.585 nan 8.150 nan 0.000 0.435 722 D N 0.488 120.881 120.400 -0.011 0.000 2.144 722 D HA 0.056 4.734 4.640 0.063 0.000 0.200 722 D C 1.114 177.355 176.300 -0.099 0.000 0.978 722 D CA 2.290 56.266 54.000 -0.040 0.000 0.833 722 D CB 0.092 40.874 40.800 -0.029 0.000 0.961 722 D HN 0.764 nan 8.370 nan 0.000 0.470 723 S N -1.189 114.420 115.700 -0.153 0.000 2.627 723 S HA 0.728 5.236 4.470 0.063 0.000 0.283 723 S C -0.677 173.627 174.600 -0.493 0.000 1.127 723 S CA -0.908 57.142 58.200 -0.251 0.000 0.863 723 S CB 2.412 65.518 63.200 -0.157 0.000 1.121 723 S HN 0.065 nan 8.310 nan 0.000 0.479 724 A N 1.590 124.026 122.820 -0.640 0.000 2.401 724 A HA 0.684 5.042 4.320 0.063 0.000 0.259 724 A C -0.034 177.369 177.584 -0.301 0.000 1.103 724 A CA 0.041 51.558 52.037 -0.866 0.000 0.789 724 A CB -0.507 18.133 19.000 -0.599 0.000 1.035 724 A HN 1.071 nan 8.150 nan 0.000 0.491 725 D N 0.342 120.683 120.400 -0.097 0.000 3.145 725 D HA 0.402 5.079 4.640 0.063 0.000 0.345 725 D C 0.972 177.329 176.300 0.095 0.000 1.391 725 D CA 0.151 54.154 54.000 0.003 0.000 0.930 725 D CB -0.080 40.716 40.800 -0.008 0.000 1.451 725 D HN 0.391 nan 8.370 nan 0.000 0.555 726 G N -0.375 108.464 108.800 0.066 0.000 2.404 726 G HA2 -0.214 3.784 3.960 0.063 0.000 0.215 726 G HA3 -0.214 3.784 3.960 0.063 0.000 0.215 726 G C 1.430 176.381 174.900 0.086 0.000 1.174 726 G CA 1.482 46.621 45.100 0.066 0.000 0.780 726 G HN 0.434 nan 8.290 nan 0.000 0.537 727 S N -0.269 115.485 115.700 0.090 0.000 2.356 727 S HA -0.114 4.393 4.470 0.063 0.000 0.223 727 S C 2.063 176.740 174.600 0.128 0.000 1.032 727 S CA 1.433 59.686 58.200 0.088 0.000 1.005 727 S CB -0.451 62.794 63.200 0.075 0.000 0.867 727 S HN 0.365 nan 8.310 nan 0.000 0.449 728 F N 1.876 121.824 119.950 -0.003 0.000 2.065 728 F HA -0.147 4.418 4.527 0.063 0.000 0.298 728 F C 2.161 177.957 175.800 -0.006 0.000 1.112 728 F CA 1.917 59.914 58.000 -0.004 0.000 1.212 728 F CB -0.268 38.731 39.000 -0.002 0.000 0.975 728 F HN 0.213 nan 8.300 nan 0.000 0.476 729 M N 0.019 119.764 119.600 0.242 0.000 2.254 729 M HA -0.147 4.371 4.480 0.063 0.000 0.265 729 M C 1.700 177.999 176.300 -0.001 0.000 1.066 729 M CA 1.243 56.604 55.300 0.102 0.000 1.123 729 M CB -1.269 31.424 32.600 0.155 0.000 1.388 729 M HN 0.151 nan 8.290 nan 0.000 0.425 730 D N 0.359 120.768 120.400 0.016 0.000 2.149 730 D HA -0.107 4.571 4.640 0.063 0.000 0.201 730 D C 1.963 178.239 176.300 -0.041 0.000 0.972 730 D CA 0.979 54.976 54.000 -0.006 0.000 0.835 730 D CB -0.027 40.778 40.800 0.008 0.000 0.966 730 D HN 0.455 nan 8.370 nan 0.000 0.476 731 E N 0.430 120.592 120.200 -0.064 0.000 2.077 731 E HA -0.119 4.269 4.350 0.063 0.000 0.193 731 E C 2.133 178.648 176.600 -0.142 0.000 0.989 731 E CA 0.229 56.570 56.400 -0.098 0.000 0.800 731 E CB -0.025 29.603 29.700 -0.119 0.000 0.746 731 E HN 0.178 nan 8.360 nan 0.000 0.452 732 L N 1.054 122.153 121.223 -0.206 0.000 2.056 732 L HA -0.159 4.219 4.340 0.063 0.000 0.207 732 L C 2.153 178.947 176.870 -0.126 0.000 1.078 732 L CA 1.431 56.144 54.840 -0.212 0.000 0.749 732 L CB -0.339 41.551 42.059 -0.281 0.000 0.901 732 L HN 0.222 nan 8.230 nan 0.000 0.433 733 L N -0.462 120.708 121.223 -0.089 0.000 2.141 733 L HA -0.191 4.186 4.340 0.063 0.000 0.209 733 L C 2.475 179.317 176.870 -0.048 0.000 1.094 733 L CA 1.456 56.264 54.840 -0.055 0.000 0.763 733 L CB -0.688 41.352 42.059 -0.033 0.000 0.908 733 L HN 0.246 nan 8.230 nan 0.000 0.437 734 T N 0.221 114.744 114.554 -0.052 0.000 2.708 734 T HA -0.154 4.234 4.350 0.063 0.000 0.266 734 T C 1.955 176.621 174.700 -0.056 0.000 1.037 734 T CA 1.207 63.282 62.100 -0.042 0.000 1.146 734 T CB -0.256 68.589 68.868 -0.039 0.000 0.865 734 T HN 0.190 nan 8.240 nan 0.000 0.435 735 L N 0.392 121.563 121.223 -0.088 0.000 2.013 735 L HA -0.158 4.219 4.340 0.063 0.000 0.212 735 L C 2.734 179.536 176.870 -0.114 0.000 1.073 735 L CA 1.515 56.283 54.840 -0.120 0.000 0.753 735 L CB -0.661 41.306 42.059 -0.152 0.000 0.890 735 L HN 0.317 nan 8.230 nan 0.000 0.432 736 M N -0.656 118.892 119.600 -0.085 0.000 2.159 736 M HA -0.165 4.352 4.480 0.063 0.000 0.263 736 M C 2.481 178.779 176.300 -0.003 0.000 1.063 736 M CA 1.708 56.977 55.300 -0.052 0.000 1.110 736 M CB -0.541 32.038 32.600 -0.036 0.000 1.374 736 M HN 0.327 nan 8.290 nan 0.000 0.411 737 A N 0.299 123.119 122.820 -0.000 0.000 2.019 737 A HA 0.043 4.401 4.320 0.063 0.000 0.219 737 A C 2.164 179.787 177.584 0.066 0.000 1.164 737 A CA 1.708 53.765 52.037 0.034 0.000 0.644 737 A CB -0.620 18.393 19.000 0.022 0.000 0.805 737 A HN 0.507 nan 8.150 nan 0.000 0.449 738 A N -2.769 120.068 122.820 0.028 0.000 2.275 738 A HA 0.360 4.718 4.320 0.063 0.000 0.212 738 A C 0.939 178.546 177.584 0.037 0.000 1.201 738 A CA 1.250 53.317 52.037 0.049 0.000 0.843 738 A CB -0.413 18.572 19.000 -0.025 0.000 0.873 738 A HN 0.972 nan 8.150 nan 0.000 0.492 739 H N -1.346 117.660 119.070 -0.107 0.000 4.823 739 H HA -0.180 4.414 4.556 0.063 0.000 0.064 739 H C 0.098 175.200 175.328 -0.377 0.000 0.599 739 H CA 2.347 58.316 56.048 -0.131 0.000 0.956 739 H CB -0.614 29.181 29.762 0.055 0.000 0.432 739 H HN 0.455 nan 8.280 nan 0.000 0.798 740 R N -0.400 119.516 120.500 -0.973 0.000 2.855 740 R HA 0.632 5.010 4.340 0.063 0.000 0.266 740 R C -0.661 174.785 176.300 -1.423 0.000 1.034 740 R CA -0.282 55.006 56.100 -1.352 0.000 0.944 740 R CB 1.706 30.869 30.300 -1.895 0.000 1.219 740 R HN 0.062 nan 8.270 nan 0.000 0.474 741 V N 2.119 121.408 119.914 -1.041 0.000 2.184 741 V HA 0.125 4.282 4.120 0.063 0.000 0.262 741 V C 0.619 176.350 176.094 -0.605 0.000 1.209 741 V CA -0.457 61.427 62.300 -0.693 0.000 1.070 741 V CB -0.213 31.344 31.823 -0.443 0.000 1.244 741 V HN 0.713 nan 8.190 nan 0.000 0.477 742 W N 1.463 122.487 121.300 -0.460 0.000 2.392 742 W HA -0.167 4.530 4.660 0.063 0.000 0.279 742 W C 2.510 178.820 176.519 -0.350 0.000 1.225 742 W CA 0.840 57.822 57.345 -0.606 0.000 1.233 742 W CB -0.347 28.360 29.460 -1.255 0.000 1.122 742 W HN 0.643 nan 8.180 nan 0.000 0.561 743 S N 0.616 116.267 115.700 -0.082 0.000 2.507 743 S HA -0.136 4.372 4.470 0.063 0.000 0.235 743 S C 1.678 176.239 174.600 -0.064 0.000 0.988 743 S CA 0.834 59.007 58.200 -0.045 0.000 0.944 743 S CB -0.374 62.800 63.200 -0.043 0.000 0.762 743 S HN 0.401 nan 8.310 nan 0.000 0.526 744 R N 0.487 120.907 120.500 -0.133 0.000 2.297 744 R HA 0.308 4.686 4.340 0.063 0.000 0.197 744 R C 1.751 177.986 176.300 -0.108 0.000 0.943 744 R CA 0.232 56.235 56.100 -0.162 0.000 1.038 744 R CB -0.308 29.778 30.300 -0.356 0.000 0.957 744 R HN 0.464 nan 8.270 nan 0.000 0.484 745 I N 2.038 122.583 120.570 -0.042 0.000 2.151 745 I HA -0.235 3.973 4.170 0.063 0.000 0.243 745 I C -0.773 175.367 176.117 0.039 0.000 1.080 745 I CA 1.363 62.678 61.300 0.027 0.000 1.339 745 I CB -0.803 37.262 38.000 0.108 0.000 1.039 745 I HN 0.161 nan 8.210 nan 0.000 0.409 746 P HA -0.146 nan 4.420 nan 0.000 0.222 746 P C 1.249 178.578 177.300 0.049 0.000 1.147 746 P CA 1.429 64.558 63.100 0.049 0.000 0.790 746 P CB -0.076 31.650 31.700 0.044 0.000 0.780 747 K N -0.268 120.157 120.400 0.042 0.000 2.418 747 K HA 0.062 4.420 4.320 0.063 0.000 0.195 747 K C 1.988 178.655 176.600 0.111 0.000 1.035 747 K CA 0.386 56.721 56.287 0.080 0.000 1.003 747 K CB -0.325 32.245 32.500 0.117 0.000 0.793 747 K HN 0.260 nan 8.250 nan 0.000 0.494 748 I N -2.604 118.002 120.570 0.060 0.000 2.876 748 I HA -0.017 4.191 4.170 0.063 0.000 0.264 748 I C 0.941 177.104 176.117 0.076 0.000 1.204 748 I CA 0.916 62.258 61.300 0.069 0.000 1.485 748 I CB 0.029 38.023 38.000 -0.010 0.000 1.103 748 I HN -0.155 nan 8.210 nan 0.000 0.446 749 D N 2.214 122.659 120.400 0.075 0.000 2.265 749 D HA -0.134 4.543 4.640 0.063 0.000 0.208 749 D C 1.950 178.291 176.300 0.068 0.000 0.977 749 D CA 1.188 55.233 54.000 0.075 0.000 0.871 749 D CB -0.007 40.839 40.800 0.076 0.000 0.925 749 D HN 0.471 nan 8.370 nan 0.000 0.485 750 K N -0.297 120.143 120.400 0.067 0.000 2.361 750 K HA 0.129 4.486 4.320 0.063 0.000 0.196 750 K C 0.894 177.527 176.600 0.055 0.000 1.039 750 K CA -0.168 56.153 56.287 0.057 0.000 1.001 750 K CB 0.892 33.423 32.500 0.052 0.000 0.795 750 K HN 0.182 nan 8.250 nan 0.000 0.495 751 I N 4.107 124.717 120.570 0.068 0.000 2.471 751 I HA 0.063 4.270 4.170 0.063 0.000 0.286 751 I C -2.268 173.880 176.117 0.051 0.000 1.079 751 I CA -2.030 59.306 61.300 0.059 0.000 1.398 751 I CB 0.916 38.972 38.000 0.094 0.000 1.403 751 I HN -0.089 nan 8.210 nan 0.000 0.530 752 P HA 0.370 nan 4.420 nan 0.000 0.256 752 P C -0.961 176.395 177.300 0.093 0.000 1.689 752 P CA -0.093 63.043 63.100 0.060 0.000 1.124 752 P CB 0.512 32.242 31.700 0.050 0.000 1.766 753 A N 0.000 122.877 122.820 0.094 0.000 2.254 753 A HA 0.000 4.358 4.320 0.063 0.000 0.244 753 A CA 0.000 52.134 52.037 0.161 0.000 0.836 753 A CB 0.000 18.985 19.000 -0.026 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486