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 3p9c_1_A DATA FIRST_RESID 9 DATA SEQUENCE AASADEDACM FALQLASSSV LPMTLKNAIE LGLLEILVAA GGKSLTPTEV DATA SEQUENCE AAKLPSAANP EAPDMVDRIL RLLASYNVVT CLVEEGKDGR LSRSYGAAPV DATA SEQUENCE CKFLTPNEDG VSMAALALMN QDKVLMESWY YLKDAVLDGG IPFNKAYGMS DATA SEQUENCE AFEYHGTDPR FNRVFNEGMK NHSIIITKKL LELYHGFEGL GTLVDVGGGV DATA SEQUENCE GATVAAIAAH YPTIKGVNFD LPHVISEAPQ FPGVTHVGGD MFKEVPSGDT DATA SEQUENCE ILMKWILHDW SDQHCATLLK NCYDALPAHG KVVLVQCILP VNPEANPSSQ DATA SEQUENCE GVFHVDMIML AHNPGGRERY EREFQALARG AGFTGVKSTY IYANAWAIEF DATA SEQUENCE TK 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.588 177.584 0.007 0.000 1.274 9 A CA 0.000 52.041 52.037 0.007 0.000 0.836 9 A CB 0.000 19.004 19.000 0.006 0.000 0.831 10 A N 1.064 123.888 122.820 0.006 0.000 1.841 10 A HA 0.037 4.357 4.320 -0.000 0.000 0.214 10 A C 2.231 179.819 177.584 0.007 0.000 1.195 10 A CA 2.650 54.691 52.037 0.006 0.000 0.611 10 A CB -0.844 18.159 19.000 0.004 0.000 0.835 10 A HN 1.460 nan 8.150 nan 0.000 0.443 11 S N -0.743 114.960 115.700 0.006 0.000 2.593 11 S HA 0.450 4.920 4.470 -0.000 0.000 0.217 11 S C 1.634 176.239 174.600 0.008 0.000 0.966 11 S CA 0.720 58.924 58.200 0.006 0.000 0.914 11 S CB 0.039 63.241 63.200 0.002 0.000 0.776 11 S HN 0.736 nan 8.310 nan 0.000 0.523 12 A N 2.261 125.087 122.820 0.009 0.000 1.898 12 A HA 0.043 4.363 4.320 -0.000 0.000 0.214 12 A C 1.798 179.395 177.584 0.021 0.000 1.183 12 A CA 1.317 53.361 52.037 0.012 0.000 0.622 12 A CB -0.566 18.440 19.000 0.010 0.000 0.824 12 A HN 0.450 nan 8.150 nan 0.000 0.444 13 D N -0.999 119.414 120.400 0.021 0.000 2.323 13 D HA 0.002 4.642 4.640 -0.000 0.000 0.209 13 D C 1.800 178.119 176.300 0.032 0.000 0.973 13 D CA 1.001 55.018 54.000 0.027 0.000 0.874 13 D CB 0.008 40.821 40.800 0.021 0.000 0.930 13 D HN 0.513 nan 8.370 nan 0.000 0.521 14 E N 0.847 121.062 120.200 0.026 0.000 2.107 14 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 14 E C 1.142 177.765 176.600 0.038 0.000 0.982 14 E CA 1.108 57.525 56.400 0.027 0.000 0.809 14 E CB -0.016 29.695 29.700 0.018 0.000 0.756 14 E HN 0.050 nan 8.360 nan 0.000 0.459 15 D N -0.205 120.216 120.400 0.035 0.000 2.097 15 D HA -0.109 4.531 4.640 -0.000 0.000 0.195 15 D C 1.763 178.118 176.300 0.091 0.000 0.989 15 D CA 1.827 55.851 54.000 0.040 0.000 0.827 15 D CB -0.409 40.399 40.800 0.013 0.000 0.966 15 D HN 0.309 nan 8.370 nan 0.000 0.456 16 A N -0.054 122.823 122.820 0.095 0.000 1.902 16 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 16 A C 2.419 180.086 177.584 0.138 0.000 1.181 16 A CA 1.542 53.669 52.037 0.150 0.000 0.623 16 A CB -1.155 17.906 19.000 0.102 0.000 0.818 16 A HN 0.465 nan 8.150 nan 0.000 0.443 17 C N -0.803 118.548 119.300 0.084 0.000 2.446 17 C HA -0.073 4.387 4.460 -0.000 0.000 0.277 17 C C 2.725 177.757 174.990 0.070 0.000 1.275 17 C CA 1.553 60.605 59.018 0.057 0.000 1.727 17 C CB -1.069 26.693 27.740 0.037 0.000 2.010 17 C HN 0.573 nan 8.230 nan 0.000 0.486 18 M N -0.289 119.366 119.600 0.091 0.000 2.175 18 M HA -0.005 4.475 4.480 -0.000 0.000 0.264 18 M C 2.009 178.411 176.300 0.170 0.000 1.063 18 M CA 1.426 56.785 55.300 0.098 0.000 1.119 18 M CB -1.843 30.805 32.600 0.079 0.000 1.377 18 M HN 0.598 nan 8.290 nan 0.000 0.415 19 F N 0.939 120.895 119.950 0.010 0.000 2.134 19 F HA -0.185 4.342 4.527 -0.000 0.000 0.299 19 F C 2.257 178.066 175.800 0.015 0.000 1.097 19 F CA 1.103 59.113 58.000 0.016 0.000 1.264 19 F CB 0.090 39.099 39.000 0.015 0.000 1.001 19 F HN 0.157 nan 8.300 nan 0.000 0.479 20 A N 0.356 123.146 122.820 -0.049 0.000 1.933 20 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 20 A C 1.947 179.473 177.584 -0.097 0.000 1.175 20 A CA 1.554 53.490 52.037 -0.170 0.000 0.628 20 A CB -1.049 17.899 19.000 -0.087 0.000 0.814 20 A HN 0.474 nan 8.150 nan 0.000 0.444 21 L N -0.165 121.048 121.223 -0.017 0.000 2.056 21 L HA -0.180 4.159 4.340 -0.000 0.000 0.207 21 L C 2.595 179.473 176.870 0.013 0.000 1.078 21 L CA 2.534 57.375 54.840 0.000 0.000 0.749 21 L CB -0.712 41.361 42.059 0.023 0.000 0.901 21 L HN 0.641 nan 8.230 nan 0.000 0.433 22 Q N -0.787 119.044 119.800 0.052 0.000 2.050 22 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 22 Q C 2.280 178.304 176.000 0.040 0.000 0.980 22 Q CA 2.020 57.879 55.803 0.093 0.000 0.840 22 Q CB -0.242 28.615 28.738 0.198 0.000 0.898 22 Q HN 0.571 nan 8.270 nan 0.000 0.424 23 L N 0.420 121.609 121.223 -0.057 0.000 2.079 23 L HA -0.168 4.171 4.340 -0.000 0.000 0.210 23 L C 2.538 179.351 176.870 -0.095 0.000 1.081 23 L CA 0.994 55.755 54.840 -0.132 0.000 0.752 23 L CB -0.585 41.274 42.059 -0.333 0.000 0.896 23 L HN 0.322 nan 8.230 nan 0.000 0.433 24 A N -0.584 122.188 122.820 -0.080 0.000 2.125 24 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 24 A C 1.801 179.364 177.584 -0.036 0.000 1.156 24 A CA 1.646 53.648 52.037 -0.058 0.000 0.671 24 A CB -0.357 18.616 19.000 -0.047 0.000 0.794 24 A HN 0.510 nan 8.150 nan 0.000 0.459 25 S N -1.254 114.435 115.700 -0.019 0.000 2.977 25 S HA 0.163 4.633 4.470 -0.000 0.000 0.250 25 S C 0.723 175.321 174.600 -0.003 0.000 1.005 25 S CA 0.371 58.568 58.200 -0.006 0.000 1.081 25 S CB -0.394 62.813 63.200 0.012 0.000 1.018 25 S HN 0.631 nan 8.310 nan 0.000 0.539 26 S N 1.315 117.000 115.700 -0.024 0.000 2.603 26 S HA -0.046 4.424 4.470 -0.000 0.000 0.229 26 S C 1.632 176.188 174.600 -0.074 0.000 0.972 26 S CA 0.472 58.653 58.200 -0.032 0.000 0.935 26 S CB -0.725 62.451 63.200 -0.039 0.000 0.769 26 S HN 0.730 nan 8.310 nan 0.000 0.536 27 S N 0.659 116.319 115.700 -0.067 0.000 2.527 27 S HA 0.079 4.548 4.470 -0.000 0.000 0.222 27 S C 1.570 176.136 174.600 -0.055 0.000 0.985 27 S CA 0.380 58.535 58.200 -0.075 0.000 0.921 27 S CB -0.623 62.545 63.200 -0.054 0.000 0.772 27 S HN 0.354 nan 8.310 nan 0.000 0.529 28 V N 1.805 121.698 119.914 -0.036 0.000 2.295 28 V HA -0.136 3.984 4.120 -0.000 0.000 0.246 28 V C 2.438 178.500 176.094 -0.054 0.000 1.049 28 V CA 1.824 64.113 62.300 -0.019 0.000 1.024 28 V CB -0.847 30.992 31.823 0.026 0.000 0.648 28 V HN 0.498 nan 8.190 nan 0.000 0.447 29 L N 1.751 122.896 121.223 -0.131 0.000 1.994 29 L HA -0.052 4.288 4.340 -0.000 0.000 0.208 29 L C 0.234 177.015 176.870 -0.147 0.000 1.071 29 L CA 2.515 57.215 54.840 -0.233 0.000 0.745 29 L CB -1.858 39.875 42.059 -0.543 0.000 0.892 29 L HN 0.265 nan 8.230 nan 0.000 0.431 30 P HA -0.171 nan 4.420 nan 0.000 0.217 30 P C 1.709 178.984 177.300 -0.041 0.000 1.150 30 P CA 1.630 64.682 63.100 -0.079 0.000 0.832 30 P CB -0.178 31.468 31.700 -0.090 0.000 0.787 31 M N -0.829 118.750 119.600 -0.036 0.000 2.288 31 M HA -0.011 4.469 4.480 -0.000 0.000 0.266 31 M C 2.040 178.337 176.300 -0.005 0.000 1.072 31 M CA 1.451 56.746 55.300 -0.009 0.000 1.132 31 M CB -2.273 30.326 32.600 -0.001 0.000 1.386 31 M HN -0.077 nan 8.290 nan 0.000 0.432 32 T N 1.566 116.111 114.554 -0.015 0.000 2.777 32 T HA -0.072 4.278 4.350 -0.000 0.000 0.266 32 T C 1.888 176.582 174.700 -0.010 0.000 1.040 32 T CA 0.985 63.080 62.100 -0.009 0.000 1.141 32 T CB -0.306 68.559 68.868 -0.005 0.000 0.868 32 T HN 0.236 nan 8.240 nan 0.000 0.444 33 L N 1.722 122.934 121.223 -0.018 0.000 2.046 33 L HA 0.006 4.346 4.340 -0.000 0.000 0.208 33 L C 2.345 179.216 176.870 0.003 0.000 1.077 33 L CA 1.894 56.729 54.840 -0.010 0.000 0.747 33 L CB -0.580 41.468 42.059 -0.018 0.000 0.896 33 L HN 0.087 nan 8.230 nan 0.000 0.432 34 K N -0.665 119.739 120.400 0.006 0.000 2.032 34 K HA -0.227 4.093 4.320 -0.000 0.000 0.209 34 K C 1.931 178.542 176.600 0.019 0.000 1.048 34 K CA 1.880 58.179 56.287 0.019 0.000 0.927 34 K CB -0.225 32.292 32.500 0.028 0.000 0.712 34 K HN 0.498 nan 8.250 nan 0.000 0.441 35 N N 0.299 119.007 118.700 0.014 0.000 2.188 35 N HA -0.113 4.627 4.740 -0.000 0.000 0.184 35 N C 1.749 177.262 175.510 0.005 0.000 1.018 35 N CA 1.093 54.150 53.050 0.012 0.000 0.858 35 N CB -0.097 38.396 38.487 0.009 0.000 0.989 35 N HN 0.299 nan 8.380 nan 0.000 0.426 36 A N 1.510 124.329 122.820 -0.001 0.000 1.902 36 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 36 A C 2.273 179.858 177.584 0.002 0.000 1.181 36 A CA 0.856 52.889 52.037 -0.007 0.000 0.623 36 A CB -0.541 18.451 19.000 -0.014 0.000 0.818 36 A HN 0.162 nan 8.150 nan 0.000 0.443 37 I N -0.479 120.097 120.570 0.010 0.000 2.163 37 I HA -0.255 3.915 4.170 -0.000 0.000 0.240 37 I C 2.482 178.609 176.117 0.015 0.000 1.081 37 I CA 1.648 62.957 61.300 0.015 0.000 1.353 37 I CB -0.484 37.529 38.000 0.022 0.000 1.054 37 I HN 0.415 nan 8.210 nan 0.000 0.407 38 E N 0.704 120.914 120.200 0.017 0.000 2.118 38 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 38 E C 2.220 178.828 176.600 0.013 0.000 0.992 38 E CA 1.107 57.518 56.400 0.018 0.000 0.804 38 E CB -0.117 29.596 29.700 0.022 0.000 0.741 38 E HN 0.488 nan 8.360 nan 0.000 0.458 39 L N -0.581 120.648 121.223 0.009 0.000 2.395 39 L HA 0.027 4.366 4.340 -0.000 0.000 0.218 39 L C 1.476 178.350 176.870 0.005 0.000 1.130 39 L CA 0.588 55.431 54.840 0.006 0.000 0.826 39 L CB -0.077 41.982 42.059 0.000 0.000 0.941 39 L HN 0.346 nan 8.230 nan 0.000 0.451 40 G N -0.550 108.254 108.800 0.006 0.000 2.132 40 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.234 40 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.234 40 G C 0.803 175.706 174.900 0.004 0.000 0.989 40 G CA 0.292 45.396 45.100 0.007 0.000 0.676 40 G HN 0.270 nan 8.290 nan 0.000 0.522 41 L N -0.447 120.775 121.223 -0.001 0.000 2.046 41 L HA -0.024 4.316 4.340 -0.000 0.000 0.208 41 L C 3.011 179.881 176.870 0.000 0.000 1.077 41 L CA 1.621 56.456 54.840 -0.008 0.000 0.747 41 L CB -0.514 41.529 42.059 -0.027 0.000 0.896 41 L HN 0.370 nan 8.230 nan 0.000 0.432 42 L N -0.573 120.654 121.223 0.005 0.000 2.093 42 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 42 L C 2.472 179.350 176.870 0.013 0.000 1.085 42 L CA 1.135 55.983 54.840 0.014 0.000 0.755 42 L CB -0.572 41.499 42.059 0.021 0.000 0.904 42 L HN 0.303 nan 8.230 nan 0.000 0.435 43 E N 0.621 120.827 120.200 0.010 0.000 2.077 43 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 43 E C 2.299 178.904 176.600 0.009 0.000 0.989 43 E CA 1.144 57.548 56.400 0.007 0.000 0.800 43 E CB -0.091 29.613 29.700 0.006 0.000 0.746 43 E HN 0.479 nan 8.360 nan 0.000 0.452 44 I N 1.031 121.607 120.570 0.011 0.000 2.226 44 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 44 I C 2.333 178.463 176.117 0.021 0.000 1.100 44 I CA 1.045 62.353 61.300 0.014 0.000 1.374 44 I CB -0.189 37.820 38.000 0.014 0.000 1.057 44 I HN 0.120 nan 8.210 nan 0.000 0.413 45 L N -0.245 120.993 121.223 0.025 0.000 2.093 45 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 45 L C 2.548 179.434 176.870 0.028 0.000 1.085 45 L CA 0.857 55.719 54.840 0.037 0.000 0.755 45 L CB -0.538 41.549 42.059 0.047 0.000 0.904 45 L HN 0.082 nan 8.230 nan 0.000 0.435 46 V N 0.146 120.070 119.914 0.018 0.000 2.515 46 V HA -0.241 3.879 4.120 -0.000 0.000 0.250 46 V C 2.646 178.743 176.094 0.005 0.000 1.058 46 V CA 1.698 64.002 62.300 0.007 0.000 1.064 46 V CB -0.675 31.146 31.823 -0.004 0.000 0.675 46 V HN 0.474 nan 8.190 nan 0.000 0.461 47 A N -0.120 122.705 122.820 0.007 0.000 2.066 47 A HA 0.105 4.425 4.320 -0.000 0.000 0.218 47 A C 2.248 179.838 177.584 0.010 0.000 1.157 47 A CA 1.253 53.294 52.037 0.006 0.000 0.670 47 A CB -0.468 18.536 19.000 0.007 0.000 0.804 47 A HN 0.550 nan 8.150 nan 0.000 0.453 48 A N -0.514 122.316 122.820 0.016 0.000 2.248 48 A HA 0.358 4.677 4.320 -0.000 0.000 0.210 48 A C 1.620 179.213 177.584 0.015 0.000 1.174 48 A CA 0.909 52.957 52.037 0.019 0.000 0.750 48 A CB -1.416 17.601 19.000 0.029 0.000 0.780 48 A HN 1.800 nan 8.150 nan 0.000 0.478 49 G N -1.075 107.731 108.800 0.011 0.000 2.247 49 G HA2 0.151 4.111 3.960 -0.000 0.000 0.265 49 G HA3 0.151 4.111 3.960 -0.000 0.000 0.265 49 G C 1.401 176.307 174.900 0.010 0.000 0.861 49 G CA 0.819 45.924 45.100 0.007 0.000 1.289 49 G HN 2.042 nan 8.290 nan 0.000 0.403 50 G N -0.364 108.444 108.800 0.013 0.000 2.184 50 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.264 50 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.264 50 G C 0.520 175.430 174.900 0.016 0.000 0.975 50 G CA 1.308 46.417 45.100 0.015 0.000 0.642 50 G HN 1.021 nan 8.290 nan 0.000 0.536 51 K N 0.254 120.665 120.400 0.018 0.000 2.166 51 K HA 0.645 4.964 4.320 -0.000 0.000 0.245 51 K C -0.273 176.343 176.600 0.026 0.000 0.967 51 K CA -0.514 55.783 56.287 0.018 0.000 0.863 51 K CB 1.614 34.123 32.500 0.015 0.000 1.107 51 K HN 0.093 nan 8.250 nan 0.000 0.436 52 S N 1.474 117.187 115.700 0.021 0.000 2.508 52 S HA 0.443 4.913 4.470 -0.000 0.000 0.284 52 S C -0.325 174.296 174.600 0.036 0.000 1.192 52 S CA -0.793 57.424 58.200 0.029 0.000 1.070 52 S CB 0.504 63.702 63.200 -0.003 0.000 1.004 52 S HN 0.309 nan 8.310 nan 0.000 0.493 53 L N 2.333 123.598 121.223 0.070 0.000 2.334 53 L HA 0.548 4.888 4.340 -0.000 0.000 0.273 53 L C 0.761 177.694 176.870 0.104 0.000 1.013 53 L CA -0.946 53.938 54.840 0.074 0.000 0.816 53 L CB 1.816 43.922 42.059 0.077 0.000 1.278 53 L HN 0.656 nan 8.230 nan 0.000 0.431 54 T N -2.251 112.350 114.554 0.078 0.000 2.882 54 T HA 0.238 4.587 4.350 -0.000 0.000 0.287 54 T C -1.734 173.044 174.700 0.129 0.000 1.014 54 T CA -1.637 60.517 62.100 0.092 0.000 1.049 54 T CB 1.186 70.085 68.868 0.051 0.000 1.001 54 T HN 0.427 nan 8.240 nan 0.000 0.525 55 P HA -0.090 nan 4.420 nan 0.000 0.219 55 P C 1.421 178.763 177.300 0.070 0.000 1.146 55 P CA 1.077 64.253 63.100 0.126 0.000 0.808 55 P CB -0.287 31.496 31.700 0.139 0.000 0.779 56 T N 0.138 114.729 114.554 0.061 0.000 2.777 56 T HA -0.105 4.244 4.350 -0.000 0.000 0.266 56 T C 1.767 176.489 174.700 0.036 0.000 1.040 56 T CA 1.283 63.408 62.100 0.041 0.000 1.141 56 T CB -0.454 68.434 68.868 0.034 0.000 0.868 56 T HN 0.317 nan 8.240 nan 0.000 0.444 57 E N 0.357 120.583 120.200 0.042 0.000 2.106 57 E HA -0.077 4.272 4.350 -0.000 0.000 0.192 57 E C 2.322 178.943 176.600 0.035 0.000 0.984 57 E CA 0.783 57.205 56.400 0.036 0.000 0.806 57 E CB -0.123 29.601 29.700 0.039 0.000 0.750 57 E HN 0.227 nan 8.360 nan 0.000 0.458 58 V N 1.242 121.182 119.914 0.044 0.000 2.307 58 V HA -0.254 3.866 4.120 -0.000 0.000 0.245 58 V C 2.305 178.411 176.094 0.021 0.000 1.045 58 V CA 1.839 64.159 62.300 0.033 0.000 1.024 58 V CB -0.663 31.180 31.823 0.033 0.000 0.651 58 V HN 0.320 nan 8.190 nan 0.000 0.449 59 A N -0.012 122.821 122.820 0.021 0.000 1.972 59 A HA -0.083 4.236 4.320 -0.000 0.000 0.219 59 A C 2.374 179.967 177.584 0.015 0.000 1.169 59 A CA 1.842 53.888 52.037 0.015 0.000 0.635 59 A CB -0.669 18.341 19.000 0.016 0.000 0.810 59 A HN 0.581 nan 8.150 nan 0.000 0.446 60 A N -0.180 122.650 122.820 0.018 0.000 2.019 60 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 60 A C 1.927 179.519 177.584 0.013 0.000 1.164 60 A CA 1.609 53.655 52.037 0.015 0.000 0.644 60 A CB -0.324 18.686 19.000 0.017 0.000 0.805 60 A HN 0.540 nan 8.150 nan 0.000 0.449 61 K N -0.790 119.618 120.400 0.014 0.000 2.444 61 K HA 0.301 4.621 4.320 -0.000 0.000 0.193 61 K C -0.436 176.170 176.600 0.010 0.000 1.024 61 K CA -0.012 56.282 56.287 0.012 0.000 1.077 61 K CB -0.005 32.503 32.500 0.013 0.000 0.833 61 K HN 0.408 nan 8.250 nan 0.000 0.517 62 L N 1.709 122.938 121.223 0.010 0.000 2.330 62 L HA 0.324 4.664 4.340 -0.000 0.000 0.271 62 L C -2.070 174.805 176.870 0.008 0.000 1.013 62 L CA -2.244 52.601 54.840 0.008 0.000 0.816 62 L CB 1.391 43.455 42.059 0.007 0.000 1.287 62 L HN -0.160 nan 8.230 nan 0.000 0.435 63 P HA 0.046 nan 4.420 nan 0.000 0.226 63 P C 0.092 177.397 177.300 0.008 0.000 1.783 63 P CA -0.085 63.020 63.100 0.008 0.000 0.980 63 P CB 0.021 31.726 31.700 0.008 0.000 1.967 64 S N -1.065 114.640 115.700 0.008 0.000 2.601 64 S HA 0.373 4.843 4.470 -0.000 0.000 0.244 64 S C 1.639 176.244 174.600 0.008 0.000 1.001 64 S CA 0.034 58.239 58.200 0.008 0.000 0.984 64 S CB 0.076 63.280 63.200 0.008 0.000 0.842 64 S HN 0.163 nan 8.310 nan 0.000 0.474 65 A N 2.009 124.834 122.820 0.008 0.000 1.948 65 A HA 0.077 4.396 4.320 -0.000 0.000 0.220 65 A C 2.375 179.963 177.584 0.008 0.000 1.177 65 A CA 1.767 53.809 52.037 0.008 0.000 0.636 65 A CB -1.307 17.698 19.000 0.008 0.000 0.815 65 A HN 1.058 nan 8.150 nan 0.000 0.449 66 A N -0.893 121.932 122.820 0.007 0.000 2.172 66 A HA -0.012 4.308 4.320 -0.000 0.000 0.216 66 A C 1.054 178.643 177.584 0.007 0.000 1.154 66 A CA 1.113 53.154 52.037 0.007 0.000 0.701 66 A CB -0.426 18.578 19.000 0.007 0.000 0.789 66 A HN 0.500 nan 8.150 nan 0.000 0.465 67 N N 0.006 118.710 118.700 0.008 0.000 2.558 67 N HA 0.280 5.019 4.740 -0.000 0.000 0.242 67 N C -1.892 173.624 175.510 0.009 0.000 0.979 67 N CA -2.268 50.788 53.050 0.008 0.000 0.931 67 N CB 1.529 40.021 38.487 0.008 0.000 1.122 67 N HN -0.022 nan 8.380 nan 0.000 0.508 68 P HA -0.049 nan 4.420 nan 0.000 0.230 68 P C 0.044 177.351 177.300 0.012 0.000 1.158 68 P CA 1.000 64.106 63.100 0.010 0.000 0.769 68 P CB 0.527 32.232 31.700 0.009 0.000 0.807 69 E N -0.541 119.666 120.200 0.011 0.000 2.474 69 E HA 0.170 4.520 4.350 -0.000 0.000 0.195 69 E C 1.944 178.552 176.600 0.013 0.000 1.039 69 E CA -0.041 56.367 56.400 0.012 0.000 0.881 69 E CB -0.042 29.665 29.700 0.011 0.000 0.970 69 E HN 0.145 nan 8.360 nan 0.000 0.486 70 A N 2.418 125.245 122.820 0.012 0.000 1.873 70 A HA -0.166 4.153 4.320 -0.000 0.000 0.218 70 A C -0.324 177.268 177.584 0.013 0.000 1.193 70 A CA 1.424 53.467 52.037 0.010 0.000 0.629 70 A CB -1.441 17.565 19.000 0.010 0.000 0.826 70 A HN 0.141 nan 8.150 nan 0.000 0.447 71 P HA -0.130 nan 4.420 nan 0.000 0.215 71 P C 0.696 178.014 177.300 0.030 0.000 1.153 71 P CA 1.487 64.603 63.100 0.027 0.000 0.853 71 P CB -0.085 31.633 31.700 0.030 0.000 0.788 72 D N -1.400 119.016 120.400 0.027 0.000 2.117 72 D HA -0.107 4.533 4.640 -0.000 0.000 0.197 72 D C 1.940 178.253 176.300 0.021 0.000 0.987 72 D CA 1.242 55.260 54.000 0.029 0.000 0.829 72 D CB -0.500 40.315 40.800 0.025 0.000 0.961 72 D HN 0.185 nan 8.370 nan 0.000 0.460 73 M N -0.005 119.602 119.600 0.012 0.000 2.117 73 M HA -0.126 4.354 4.480 -0.000 0.000 0.262 73 M C 2.349 178.642 176.300 -0.011 0.000 1.065 73 M CA 0.809 56.112 55.300 0.004 0.000 1.114 73 M CB -0.125 32.477 32.600 0.003 0.000 1.361 73 M HN -0.118 nan 8.290 nan 0.000 0.408 74 V N 0.518 120.422 119.914 -0.015 0.000 2.407 74 V HA -0.272 3.847 4.120 -0.000 0.000 0.248 74 V C 2.052 178.093 176.094 -0.088 0.000 1.055 74 V CA 2.046 64.317 62.300 -0.048 0.000 1.049 74 V CB -0.708 31.096 31.823 -0.032 0.000 0.662 74 V HN 0.452 nan 8.190 nan 0.000 0.455 75 D N 0.276 120.665 120.400 -0.018 0.000 2.104 75 D HA -0.188 4.452 4.640 -0.000 0.000 0.194 75 D C 2.392 178.694 176.300 0.004 0.000 0.994 75 D CA 1.573 55.595 54.000 0.037 0.000 0.830 75 D CB -0.108 40.757 40.800 0.109 0.000 0.959 75 D HN 0.365 nan 8.370 nan 0.000 0.452 76 R N -0.228 120.277 120.500 0.008 0.000 2.081 76 R HA -0.024 4.315 4.340 -0.000 0.000 0.235 76 R C 2.673 178.963 176.300 -0.015 0.000 1.131 76 R CA 0.970 57.078 56.100 0.014 0.000 0.960 76 R CB -0.237 30.074 30.300 0.018 0.000 0.856 76 R HN 0.304 nan 8.270 nan 0.000 0.436 77 I N 0.781 121.321 120.570 -0.050 0.000 2.142 77 I HA -0.287 3.883 4.170 -0.000 0.000 0.240 77 I C 2.166 178.213 176.117 -0.117 0.000 1.078 77 I CA 1.364 62.627 61.300 -0.062 0.000 1.343 77 I CB -0.219 37.742 38.000 -0.064 0.000 1.046 77 I HN 0.137 nan 8.210 nan 0.000 0.405 78 L N 0.086 121.143 121.223 -0.277 0.000 2.141 78 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 78 L C 2.712 179.407 176.870 -0.292 0.000 1.094 78 L CA 1.026 55.569 54.840 -0.495 0.000 0.763 78 L CB -0.580 40.738 42.059 -1.235 0.000 0.908 78 L HN 0.238 nan 8.230 nan 0.000 0.437 79 R N 0.383 120.825 120.500 -0.097 0.000 2.081 79 R HA -0.178 4.161 4.340 -0.000 0.000 0.235 79 R C 2.371 178.739 176.300 0.113 0.000 1.131 79 R CA 1.168 57.368 56.100 0.166 0.000 0.960 79 R CB -0.158 30.244 30.300 0.171 0.000 0.856 79 R HN 0.256 nan 8.270 nan 0.000 0.436 80 L N 1.153 122.421 121.223 0.075 0.000 2.017 80 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 80 L C 1.954 178.934 176.870 0.182 0.000 1.073 80 L CA 1.784 56.697 54.840 0.121 0.000 0.745 80 L CB -0.868 41.253 42.059 0.103 0.000 0.894 80 L HN 0.357 nan 8.230 nan 0.000 0.432 81 L N 0.177 121.469 121.223 0.116 0.000 2.083 81 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 81 L C 2.852 179.819 176.870 0.162 0.000 1.083 81 L CA 1.116 56.037 54.840 0.134 0.000 0.752 81 L CB -0.796 41.290 42.059 0.045 0.000 0.899 81 L HN 0.344 nan 8.230 nan 0.000 0.433 82 A N 0.158 123.066 122.820 0.146 0.000 1.969 82 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 82 A C 2.488 180.136 177.584 0.107 0.000 1.169 82 A CA 1.759 53.894 52.037 0.164 0.000 0.635 82 A CB -0.579 18.576 19.000 0.259 0.000 0.810 82 A HN 0.523 nan 8.150 nan 0.000 0.445 83 S N -2.052 113.691 115.700 0.071 0.000 2.474 83 S HA -0.085 4.385 4.470 -0.000 0.000 0.235 83 S C 1.225 175.713 174.600 -0.187 0.000 0.997 83 S CA 0.960 59.120 58.200 -0.067 0.000 0.949 83 S CB -0.615 62.507 63.200 -0.129 0.000 0.766 83 S HN 0.591 nan 8.310 nan 0.000 0.517 84 Y N 1.673 122.001 120.300 0.046 0.000 2.555 84 Y HA 0.368 4.917 4.550 -0.000 0.000 0.259 84 Y C 0.502 176.427 175.900 0.042 0.000 1.179 84 Y CA -0.648 57.477 58.100 0.041 0.000 1.230 84 Y CB 0.003 38.487 38.460 0.039 0.000 1.146 84 Y HN 0.131 nan 8.280 nan 0.000 0.526 85 N N -0.865 117.922 118.700 0.145 0.000 2.741 85 N HA -0.186 4.554 4.740 -0.000 0.000 0.250 85 N C 0.763 176.346 175.510 0.122 0.000 1.115 85 N CA 0.968 54.086 53.050 0.114 0.000 0.724 85 N CB -1.477 37.063 38.487 0.088 0.000 1.090 85 N HN 0.238 nan 8.380 nan 0.000 0.558 86 V N -0.921 119.076 119.914 0.137 0.000 2.788 86 V HA 0.008 4.128 4.120 -0.000 0.000 0.251 86 V C 1.240 177.394 176.094 0.099 0.000 1.068 86 V CA 1.516 63.882 62.300 0.111 0.000 1.090 86 V CB 0.264 32.145 31.823 0.098 0.000 0.710 86 V HN 0.370 nan 8.190 nan 0.000 0.467 87 V N -3.089 116.891 119.914 0.110 0.000 3.181 87 V HA 0.813 4.933 4.120 -0.000 0.000 0.308 87 V C -0.429 175.752 176.094 0.144 0.000 1.214 87 V CA -0.228 62.143 62.300 0.119 0.000 1.053 87 V CB 1.693 33.586 31.823 0.116 0.000 1.069 87 V HN 0.214 nan 8.190 nan 0.000 0.441 88 T N -0.974 113.669 114.554 0.148 0.000 2.943 88 T HA 0.714 5.064 4.350 -0.000 0.000 0.284 88 T C -0.414 174.370 174.700 0.140 0.000 1.015 88 T CA -0.448 61.722 62.100 0.117 0.000 1.042 88 T CB 1.343 70.252 68.868 0.069 0.000 1.055 88 T HN 1.597 nan 8.240 nan 0.000 0.500 89 C N 3.459 122.781 119.300 0.036 0.000 2.481 89 C HA 0.754 5.214 4.460 -0.000 0.000 0.324 89 C C -1.090 173.807 174.990 -0.154 0.000 1.170 89 C CA -0.868 58.062 59.018 -0.145 0.000 1.361 89 C CB 0.193 27.879 27.740 -0.090 0.000 1.977 89 C HN 1.022 nan 8.230 nan 0.000 0.459 90 L N 7.146 128.235 121.223 -0.224 0.000 2.305 90 L HA 0.782 5.122 4.340 -0.000 0.000 0.284 90 L C -0.654 176.119 176.870 -0.163 0.000 1.013 90 L CA 0.000 54.755 54.840 -0.142 0.000 0.819 90 L CB 1.683 43.679 42.059 -0.104 0.000 1.227 90 L HN 0.574 nan 8.230 nan 0.000 0.417 91 V N 4.750 124.599 119.914 -0.108 0.000 2.427 91 V HA 0.549 4.669 4.120 -0.000 0.000 0.286 91 V C -0.248 175.810 176.094 -0.060 0.000 1.034 91 V CA -0.646 61.600 62.300 -0.090 0.000 0.893 91 V CB 1.506 33.290 31.823 -0.064 0.000 0.982 91 V HN 0.777 nan 8.190 nan 0.000 0.452 92 E N 2.737 122.905 120.200 -0.053 0.000 2.266 92 E HA 0.474 4.823 4.350 -0.000 0.000 0.268 92 E C -1.002 175.583 176.600 -0.026 0.000 0.879 92 E CA -0.685 55.693 56.400 -0.035 0.000 0.762 92 E CB 2.990 32.669 29.700 -0.034 0.000 1.199 92 E HN 0.727 nan 8.360 nan 0.000 0.422 93 E N 1.747 121.936 120.200 -0.018 0.000 2.133 93 E HA 0.388 4.738 4.350 -0.000 0.000 0.274 93 E C -0.206 176.388 176.600 -0.010 0.000 0.930 93 E CA -0.553 55.839 56.400 -0.013 0.000 0.770 93 E CB 1.129 30.822 29.700 -0.011 0.000 1.104 93 E HN 0.668 nan 8.360 nan 0.000 0.403 94 G N 2.818 111.614 108.800 -0.007 0.000 2.653 94 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.265 94 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.265 94 G C 0.718 175.616 174.900 -0.004 0.000 1.237 94 G CA -0.350 44.747 45.100 -0.005 0.000 0.946 94 G HN 0.532 nan 8.290 nan 0.000 0.522 95 K N -0.152 120.246 120.400 -0.003 0.000 2.209 95 K HA -0.083 4.237 4.320 -0.000 0.000 0.204 95 K C 1.987 178.586 176.600 -0.001 0.000 1.048 95 K CA 1.750 58.035 56.287 -0.002 0.000 0.940 95 K CB -0.235 32.264 32.500 -0.001 0.000 0.729 95 K HN 0.760 nan 8.250 nan 0.000 0.451 96 D N -2.082 118.318 120.400 -0.001 0.000 2.333 96 D HA 0.059 4.699 4.640 -0.000 0.000 0.208 96 D C 1.115 177.415 176.300 0.000 0.000 0.984 96 D CA 0.804 54.804 54.000 0.000 0.000 0.873 96 D CB 0.379 41.180 40.800 0.001 0.000 0.935 96 D HN 0.177 nan 8.370 nan 0.000 0.521 97 G N 0.254 109.054 108.800 -0.001 0.000 2.255 97 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.196 97 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.196 97 G C 0.341 175.240 174.900 -0.001 0.000 0.998 97 G CA -0.307 44.792 45.100 -0.001 0.000 0.656 97 G HN 0.382 nan 8.290 nan 0.000 0.490 98 R N 1.357 121.857 120.500 0.000 0.000 2.486 98 R HA 0.418 4.758 4.340 -0.000 0.000 0.303 98 R C 0.309 176.608 176.300 -0.001 0.000 0.958 98 R CA 0.201 56.302 56.100 0.001 0.000 1.077 98 R CB -0.320 29.981 30.300 0.003 0.000 0.921 98 R HN 0.329 nan 8.270 nan 0.000 0.406 99 L N 4.167 125.390 121.223 -0.000 0.000 2.292 99 L HA 0.395 4.734 4.340 -0.000 0.000 0.284 99 L C -0.013 176.854 176.870 -0.005 0.000 1.065 99 L CA -0.432 54.405 54.840 -0.005 0.000 0.806 99 L CB 1.591 43.648 42.059 -0.003 0.000 1.175 99 L HN 0.882 nan 8.230 nan 0.000 0.431 100 S N 3.007 118.697 115.700 -0.017 0.000 2.538 100 S HA 0.747 5.217 4.470 -0.000 0.000 0.288 100 S C -0.693 173.873 174.600 -0.057 0.000 1.108 100 S CA -1.106 57.083 58.200 -0.019 0.000 0.971 100 S CB 2.197 65.389 63.200 -0.014 0.000 1.041 100 S HN 0.582 nan 8.310 nan 0.000 0.483 101 R N 1.092 121.547 120.500 -0.076 0.000 2.711 101 R HA 0.774 5.114 4.340 -0.000 0.000 0.284 101 R C -0.711 175.411 176.300 -0.296 0.000 0.968 101 R CA -0.583 55.380 56.100 -0.229 0.000 0.924 101 R CB 2.174 32.309 30.300 -0.275 0.000 1.162 101 R HN 0.898 nan 8.270 nan 0.000 0.465 102 S N 1.132 116.573 115.700 -0.432 0.000 2.526 102 S HA 0.599 5.069 4.470 -0.000 0.000 0.293 102 S C -1.200 173.123 174.600 -0.462 0.000 1.092 102 S CA -0.876 57.156 58.200 -0.279 0.000 0.980 102 S CB 1.049 64.180 63.200 -0.114 0.000 1.048 102 S HN 0.463 nan 8.310 nan 0.000 0.483 103 Y N 0.255 120.565 120.300 0.016 0.000 2.485 103 Y HA 0.795 5.344 4.550 -0.000 0.000 0.345 103 Y C 0.785 176.696 175.900 0.018 0.000 0.998 103 Y CA -0.561 57.551 58.100 0.019 0.000 1.059 103 Y CB 2.410 40.884 38.460 0.022 0.000 1.234 103 Y HN 1.110 nan 8.280 nan 0.000 0.461 104 G N 0.105 109.010 108.800 0.174 0.000 2.658 104 G HA2 0.668 4.628 3.960 -0.000 0.000 0.292 104 G HA3 0.668 4.628 3.960 -0.000 0.000 0.292 104 G C -1.448 173.512 174.900 0.101 0.000 1.320 104 G CA -1.038 44.126 45.100 0.106 0.000 0.933 104 G HN 0.796 nan 8.290 nan 0.000 0.476 105 A N -0.616 122.246 122.820 0.069 0.000 2.388 105 A HA 0.732 5.052 4.320 -0.000 0.000 0.257 105 A C 0.707 178.329 177.584 0.063 0.000 1.095 105 A CA 0.520 52.594 52.037 0.061 0.000 0.791 105 A CB 0.356 19.379 19.000 0.039 0.000 1.029 105 A HN 1.823 nan 8.150 nan 0.000 0.489 106 A N 3.070 125.933 122.820 0.072 0.000 2.269 106 A HA 0.738 5.058 4.320 -0.000 0.000 0.327 106 A C -1.572 176.062 177.584 0.082 0.000 1.112 106 A CA -1.695 50.388 52.037 0.077 0.000 0.865 106 A CB 0.134 19.187 19.000 0.088 0.000 1.227 106 A HN 0.536 nan 8.150 nan 0.000 0.498 107 P HA -0.171 nan 4.420 nan 0.000 0.216 107 P C 1.447 178.866 177.300 0.199 0.000 1.154 107 P CA 1.409 64.585 63.100 0.126 0.000 0.865 107 P CB 0.111 31.889 31.700 0.130 0.000 0.789 108 V N -0.993 119.040 119.914 0.197 0.000 2.759 108 V HA -0.242 3.877 4.120 -0.000 0.000 0.256 108 V C 1.967 178.200 176.094 0.233 0.000 1.080 108 V CA 1.755 64.215 62.300 0.267 0.000 1.101 108 V CB -1.225 30.695 31.823 0.162 0.000 0.698 108 V HN 0.206 nan 8.190 nan 0.000 0.477 109 C N -0.087 119.290 119.300 0.127 0.000 2.411 109 C HA -0.146 4.314 4.460 -0.000 0.000 0.279 109 C C 2.602 177.599 174.990 0.011 0.000 1.288 109 C CA 1.577 60.637 59.018 0.071 0.000 1.764 109 C CB -1.160 26.608 27.740 0.047 0.000 1.974 109 C HN 0.669 nan 8.230 nan 0.000 0.498 110 K N -0.047 120.309 120.400 -0.073 0.000 2.211 110 K HA -0.138 4.182 4.320 -0.000 0.000 0.204 110 K C 1.007 177.352 176.600 -0.424 0.000 1.047 110 K CA 1.538 57.646 56.287 -0.299 0.000 0.935 110 K CB -0.189 32.016 32.500 -0.492 0.000 0.728 110 K HN 0.505 nan 8.250 nan 0.000 0.452 111 F N 0.078 120.058 119.950 0.050 0.000 2.727 111 F HA 0.176 4.703 4.527 -0.000 0.000 0.302 111 F C 1.077 176.906 175.800 0.048 0.000 1.097 111 F CA 0.111 58.146 58.000 0.059 0.000 1.330 111 F CB 0.473 39.511 39.000 0.063 0.000 1.084 111 F HN -0.097 nan 8.300 nan 0.000 0.578 112 L N -0.198 121.109 121.223 0.140 0.000 2.959 112 L HA 0.254 4.594 4.340 -0.000 0.000 0.259 112 L C 0.137 177.038 176.870 0.052 0.000 1.185 112 L CA -0.045 54.854 54.840 0.098 0.000 0.998 112 L CB 0.095 42.209 42.059 0.091 0.000 1.337 112 L HN 0.030 nan 8.230 nan 0.000 0.555 113 T N -4.039 110.531 114.554 0.026 0.000 2.903 113 T HA 0.508 4.858 4.350 -0.000 0.000 0.299 113 T C -2.934 171.762 174.700 -0.007 0.000 1.093 113 T CA -2.234 59.869 62.100 0.006 0.000 1.002 113 T CB 1.915 70.779 68.868 -0.008 0.000 1.127 113 T HN -0.329 nan 8.240 nan 0.000 0.488 114 P HA 0.110 nan 4.420 nan 0.000 0.260 114 P C -0.216 177.067 177.300 -0.027 0.000 1.172 114 P CA 0.053 63.149 63.100 -0.007 0.000 0.760 114 P CB 0.258 31.956 31.700 -0.004 0.000 0.773 115 N N 2.358 121.042 118.700 -0.026 0.000 2.531 115 N HA 0.045 4.785 4.740 -0.000 0.000 0.301 115 N C 1.063 176.553 175.510 -0.032 0.000 1.310 115 N CA -0.398 52.623 53.050 -0.047 0.000 0.949 115 N CB -0.292 38.166 38.487 -0.048 0.000 1.111 115 N HN 0.424 nan 8.380 nan 0.000 0.565 116 E N -1.673 118.506 120.200 -0.035 0.000 2.265 116 E HA -0.164 4.186 4.350 -0.000 0.000 0.196 116 E C -0.195 176.394 176.600 -0.018 0.000 0.996 116 E CA 1.281 57.665 56.400 -0.026 0.000 0.832 116 E CB -0.352 29.330 29.700 -0.029 0.000 0.756 116 E HN 0.486 nan 8.360 nan 0.000 0.491 117 D N 0.134 120.525 120.400 -0.016 0.000 2.340 117 D HA 0.090 4.729 4.640 -0.000 0.000 0.217 117 D C 0.984 177.283 176.300 -0.001 0.000 1.081 117 D CA 0.720 54.714 54.000 -0.009 0.000 0.842 117 D CB 0.845 41.638 40.800 -0.011 0.000 0.934 117 D HN 0.408 nan 8.370 nan 0.000 0.511 118 G N 1.128 109.927 108.800 -0.002 0.000 2.143 118 G HA2 -0.256 3.703 3.960 -0.000 0.000 0.248 118 G HA3 -0.256 3.703 3.960 -0.000 0.000 0.248 118 G C 0.479 175.386 174.900 0.011 0.000 0.991 118 G CA 0.719 45.821 45.100 0.003 0.000 0.689 118 G HN 0.413 nan 8.290 nan 0.000 0.522 119 V N -2.830 117.095 119.914 0.018 0.000 3.046 119 V HA 1.032 5.152 4.120 -0.000 0.000 0.316 119 V C 0.115 176.242 176.094 0.055 0.000 1.104 119 V CA 0.281 62.603 62.300 0.037 0.000 1.006 119 V CB 1.884 33.735 31.823 0.045 0.000 1.058 119 V HN 1.998 nan 8.190 nan 0.000 0.440 120 S N 1.719 117.465 115.700 0.077 0.000 2.669 120 S HA 0.439 4.908 4.470 -0.000 0.000 0.266 120 S C 0.111 174.782 174.600 0.120 0.000 1.149 120 S CA -0.594 57.673 58.200 0.112 0.000 0.842 120 S CB 1.332 64.581 63.200 0.082 0.000 1.160 120 S HN 0.697 nan 8.310 nan 0.000 0.487 121 M N 1.096 120.780 119.600 0.140 0.000 2.595 121 M HA 0.270 4.749 4.480 -0.000 0.000 0.248 121 M C 2.179 178.519 176.300 0.066 0.000 1.119 121 M CA 1.132 56.494 55.300 0.103 0.000 1.079 121 M CB -1.901 30.764 32.600 0.109 0.000 1.472 121 M HN 0.872 nan 8.290 nan 0.000 0.501 122 A N 0.956 123.815 122.820 0.066 0.000 1.917 122 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 122 A C 2.459 180.063 177.584 0.033 0.000 1.182 122 A CA 2.203 54.268 52.037 0.047 0.000 0.633 122 A CB -0.786 18.238 19.000 0.041 0.000 0.819 122 A HN 0.469 nan 8.150 nan 0.000 0.448 123 A N -0.543 122.293 122.820 0.027 0.000 1.933 123 A HA -0.045 4.274 4.320 -0.000 0.000 0.218 123 A C 2.165 179.748 177.584 -0.001 0.000 1.175 123 A CA 1.508 53.550 52.037 0.009 0.000 0.628 123 A CB -0.537 18.462 19.000 -0.001 0.000 0.814 123 A HN 0.494 nan 8.150 nan 0.000 0.444 124 L N -1.050 120.170 121.223 -0.004 0.000 2.093 124 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 124 L C 3.085 179.966 176.870 0.017 0.000 1.085 124 L CA 0.907 55.734 54.840 -0.021 0.000 0.755 124 L CB -0.488 41.533 42.059 -0.062 0.000 0.904 124 L HN 0.450 nan 8.230 nan 0.000 0.435 125 A N 0.160 122.996 122.820 0.028 0.000 1.933 125 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 125 A C 2.182 179.798 177.584 0.053 0.000 1.175 125 A CA 1.319 53.380 52.037 0.040 0.000 0.628 125 A CB -0.608 18.414 19.000 0.036 0.000 0.814 125 A HN 0.382 nan 8.150 nan 0.000 0.444 126 L N -1.298 119.954 121.223 0.048 0.000 2.217 126 L HA -0.089 4.250 4.340 -0.000 0.000 0.211 126 L C 2.715 179.640 176.870 0.092 0.000 1.107 126 L CA 1.261 56.138 54.840 0.061 0.000 0.783 126 L CB -0.414 41.672 42.059 0.046 0.000 0.919 126 L HN 0.568 nan 8.230 nan 0.000 0.442 127 M N -0.048 119.602 119.600 0.084 0.000 2.134 127 M HA -0.120 4.360 4.480 -0.000 0.000 0.262 127 M C 1.956 178.379 176.300 0.204 0.000 1.076 127 M CA 1.569 56.949 55.300 0.134 0.000 1.143 127 M CB -0.071 32.568 32.600 0.066 0.000 1.346 127 M HN 0.214 nan 8.290 nan 0.000 0.421 128 N N 0.551 119.349 118.700 0.162 0.000 2.223 128 N HA -0.159 4.581 4.740 -0.000 0.000 0.185 128 N C 1.031 176.666 175.510 0.208 0.000 1.016 128 N CA 1.248 54.420 53.050 0.204 0.000 0.863 128 N CB -0.227 38.361 38.487 0.168 0.000 0.983 128 N HN 0.462 nan 8.380 nan 0.000 0.429 129 Q N 0.528 120.418 119.800 0.151 0.000 2.246 129 Q HA 0.139 4.478 4.340 -0.000 0.000 0.202 129 Q C -0.705 175.378 176.000 0.139 0.000 0.883 129 Q CA -0.108 55.772 55.803 0.129 0.000 0.952 129 Q CB 0.186 28.970 28.738 0.075 0.000 1.078 129 Q HN 0.278 nan 8.270 nan 0.000 0.493 130 D N -0.165 120.341 120.400 0.176 0.000 2.372 130 D HA -0.020 4.620 4.640 -0.000 0.000 0.243 130 D C 1.078 177.468 176.300 0.150 0.000 1.121 130 D CA 0.085 54.196 54.000 0.184 0.000 0.898 130 D CB 0.885 41.862 40.800 0.295 0.000 1.202 130 D HN -0.069 nan 8.370 nan 0.000 0.428 131 K N 1.993 122.470 120.400 0.127 0.000 2.113 131 K HA -0.174 4.146 4.320 -0.000 0.000 0.208 131 K C 1.568 178.213 176.600 0.076 0.000 1.047 131 K CA 1.164 57.519 56.287 0.114 0.000 0.928 131 K CB -0.045 32.517 32.500 0.104 0.000 0.716 131 K HN 0.392 nan 8.250 nan 0.000 0.446 132 V N 1.588 121.484 119.914 -0.028 0.000 2.255 132 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 132 V C 2.290 178.257 176.094 -0.213 0.000 1.051 132 V CA 1.776 63.918 62.300 -0.263 0.000 1.018 132 V CB -0.323 30.977 31.823 -0.872 0.000 0.641 132 V HN 0.355 nan 8.190 nan 0.000 0.445 133 L N -1.228 119.901 121.223 -0.157 0.000 2.156 133 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 133 L C 2.532 179.485 176.870 0.138 0.000 1.095 133 L CA 0.831 55.627 54.840 -0.074 0.000 0.770 133 L CB -0.463 41.577 42.059 -0.031 0.000 0.914 133 L HN 0.303 nan 8.230 nan 0.000 0.439 134 M N -0.353 119.364 119.600 0.196 0.000 2.279 134 M HA -0.203 4.276 4.480 -0.000 0.000 0.264 134 M C 2.066 178.442 176.300 0.126 0.000 1.062 134 M CA 1.348 56.826 55.300 0.296 0.000 1.099 134 M CB -0.897 31.839 32.600 0.227 0.000 1.394 134 M HN 0.160 nan 8.290 nan 0.000 0.426 135 E N 0.508 120.778 120.200 0.116 0.000 2.160 135 E HA -0.111 4.239 4.350 -0.000 0.000 0.195 135 E C 1.902 178.519 176.600 0.027 0.000 0.991 135 E CA 1.613 58.096 56.400 0.137 0.000 0.810 135 E CB -0.036 29.666 29.700 0.003 0.000 0.742 135 E HN 0.370 nan 8.360 nan 0.000 0.466 136 S N -0.320 115.335 115.700 -0.075 0.000 2.383 136 S HA -0.181 4.288 4.470 -0.000 0.000 0.229 136 S C 1.459 175.933 174.600 -0.209 0.000 1.030 136 S CA 1.348 59.465 58.200 -0.137 0.000 1.002 136 S CB -0.597 62.533 63.200 -0.117 0.000 0.829 136 S HN 0.487 nan 8.310 nan 0.000 0.467 137 W N 0.630 121.824 121.300 -0.177 0.000 2.364 137 W HA -0.088 4.572 4.660 -0.000 0.000 0.281 137 W C 1.558 177.893 176.519 -0.308 0.000 1.219 137 W CA 0.296 57.471 57.345 -0.285 0.000 1.220 137 W CB -0.707 28.515 29.460 -0.396 0.000 1.127 137 W HN 0.391 nan 8.180 nan 0.000 0.556 138 Y N -2.455 117.934 120.300 0.150 0.000 2.616 138 Y HA -0.126 4.424 4.550 -0.000 0.000 0.296 138 Y C 0.913 176.589 175.900 -0.374 0.000 1.154 138 Y CA 0.527 58.551 58.100 -0.126 0.000 1.325 138 Y CB -0.527 37.785 38.460 -0.247 0.000 1.007 138 Y HN 0.012 nan 8.280 nan 0.000 0.542 139 Y N -2.130 118.191 120.300 0.034 0.000 2.557 139 Y HA 0.119 4.669 4.550 -0.000 0.000 0.247 139 Y C 1.513 177.398 175.900 -0.024 0.000 1.164 139 Y CA -0.695 57.399 58.100 -0.009 0.000 1.218 139 Y CB 0.106 38.529 38.460 -0.061 0.000 1.210 139 Y HN 0.059 nan 8.280 nan 0.000 0.529 140 L N 1.798 123.073 121.223 0.088 0.000 2.046 140 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 140 L C 2.332 179.232 176.870 0.051 0.000 1.077 140 L CA 2.029 56.903 54.840 0.055 0.000 0.747 140 L CB -0.553 41.568 42.059 0.102 0.000 0.896 140 L HN 0.250 nan 8.230 nan 0.000 0.432 141 K N -1.512 118.915 120.400 0.044 0.000 2.103 141 K HA -0.189 4.131 4.320 -0.000 0.000 0.207 141 K C 1.637 178.253 176.600 0.026 0.000 1.048 141 K CA 1.731 58.034 56.287 0.027 0.000 0.930 141 K CB -0.764 31.743 32.500 0.011 0.000 0.716 141 K HN 0.286 nan 8.250 nan 0.000 0.444 142 D N 1.475 121.898 120.400 0.038 0.000 2.117 142 D HA -0.110 4.530 4.640 -0.000 0.000 0.197 142 D C 2.077 178.405 176.300 0.047 0.000 0.987 142 D CA 1.653 55.683 54.000 0.051 0.000 0.829 142 D CB -0.218 40.642 40.800 0.101 0.000 0.961 142 D HN 0.439 nan 8.370 nan 0.000 0.460 143 A N 0.597 123.447 122.820 0.049 0.000 1.969 143 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 143 A C 2.503 180.098 177.584 0.018 0.000 1.169 143 A CA 0.863 52.917 52.037 0.028 0.000 0.635 143 A CB -0.547 18.462 19.000 0.016 0.000 0.810 143 A HN 0.139 nan 8.150 nan 0.000 0.445 144 V N 0.004 119.929 119.914 0.019 0.000 2.427 144 V HA -0.206 3.913 4.120 -0.000 0.000 0.248 144 V C 2.461 178.562 176.094 0.012 0.000 1.051 144 V CA 1.827 64.136 62.300 0.014 0.000 1.048 144 V CB -0.590 31.243 31.823 0.016 0.000 0.666 144 V HN 0.558 nan 8.190 nan 0.000 0.456 145 L N -0.555 120.676 121.223 0.014 0.000 2.127 145 L HA 0.022 4.362 4.340 -0.000 0.000 0.203 145 L C 1.785 178.661 176.870 0.011 0.000 1.080 145 L CA 1.163 56.010 54.840 0.011 0.000 0.768 145 L CB -0.417 41.648 42.059 0.010 0.000 0.924 145 L HN 0.320 nan 8.230 nan 0.000 0.444 146 D N -0.378 120.031 120.400 0.015 0.000 2.379 146 D HA 0.221 4.861 4.640 -0.000 0.000 0.208 146 D C 0.967 177.274 176.300 0.012 0.000 1.065 146 D CA 0.806 54.814 54.000 0.014 0.000 0.848 146 D CB 0.860 41.670 40.800 0.018 0.000 0.949 146 D HN 0.267 nan 8.370 nan 0.000 0.509 147 G N 0.159 108.966 108.800 0.012 0.000 2.781 147 G HA2 0.321 4.281 3.960 -0.000 0.000 0.683 147 G HA3 0.321 4.281 3.960 -0.000 0.000 0.683 147 G C 0.311 175.216 174.900 0.008 0.000 1.390 147 G CA -0.384 44.721 45.100 0.008 0.000 0.850 147 G HN 0.849 nan 8.290 nan 0.000 0.557 148 G N -1.312 107.491 108.800 0.004 0.000 2.466 148 G HA2 0.376 4.336 3.960 -0.000 0.000 0.316 148 G HA3 0.376 4.336 3.960 -0.000 0.000 0.316 148 G C -0.540 174.359 174.900 -0.003 0.000 1.270 148 G CA -0.103 44.998 45.100 0.002 0.000 0.982 148 G HN 1.747 nan 8.290 nan 0.000 0.506 149 I N 1.427 121.997 120.570 0.000 0.000 2.406 149 I HA 0.334 4.504 4.170 -0.000 0.000 0.290 149 I C -1.519 174.600 176.117 0.004 0.000 0.999 149 I CA -2.245 59.055 61.300 -0.000 0.000 1.124 149 I CB 2.498 40.511 38.000 0.021 0.000 1.289 149 I HN 0.286 nan 8.210 nan 0.000 0.441 150 P HA -0.226 nan 4.420 nan 0.000 0.215 150 P C 1.622 178.894 177.300 -0.046 0.000 1.157 150 P CA 1.498 64.584 63.100 -0.023 0.000 0.874 150 P CB 0.130 31.770 31.700 -0.101 0.000 0.790 151 F N 0.644 120.539 119.950 -0.091 0.000 2.095 151 F HA -0.253 4.274 4.527 -0.000 0.000 0.298 151 F C 1.727 177.496 175.800 -0.052 0.000 1.104 151 F CA 1.715 59.702 58.000 -0.023 0.000 1.232 151 F CB -0.766 38.258 39.000 0.040 0.000 0.987 151 F HN -0.155 nan 8.300 nan 0.000 0.475 152 N N 0.486 119.303 118.700 0.195 0.000 2.166 152 N HA -0.165 4.575 4.740 -0.000 0.000 0.186 152 N C 1.571 177.004 175.510 -0.128 0.000 1.019 152 N CA 1.536 54.641 53.050 0.092 0.000 0.856 152 N CB -0.281 38.263 38.487 0.094 0.000 0.993 152 N HN 0.343 nan 8.380 nan 0.000 0.426 153 K N 0.160 120.423 120.400 -0.229 0.000 2.097 153 K HA 0.083 4.402 4.320 -0.000 0.000 0.205 153 K C 1.949 178.055 176.600 -0.824 0.000 1.050 153 K CA 1.069 57.131 56.287 -0.375 0.000 0.938 153 K CB -0.065 32.283 32.500 -0.252 0.000 0.718 153 K HN 0.164 nan 8.250 nan 0.000 0.442 154 A N 0.253 122.410 122.820 -1.104 0.000 1.929 154 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 154 A C 1.348 178.238 177.584 -1.156 0.000 1.176 154 A CA 1.143 52.309 52.037 -1.452 0.000 0.628 154 A CB -0.319 17.924 19.000 -1.263 0.000 0.816 154 A HN 0.320 nan 8.150 nan 0.000 0.444 155 Y N -1.752 118.177 120.300 -0.618 0.000 2.445 155 Y HA 0.382 4.932 4.550 -0.000 0.000 0.247 155 Y C 1.734 177.520 175.900 -0.189 0.000 1.129 155 Y CA 0.157 58.007 58.100 -0.417 0.000 1.251 155 Y CB 0.499 38.605 38.460 -0.590 0.000 1.176 155 Y HN 0.407 nan 8.280 nan 0.000 0.522 156 G N 1.521 110.272 108.800 -0.083 0.000 2.155 156 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.257 156 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.257 156 G C 0.075 175.009 174.900 0.058 0.000 0.983 156 G CA 0.800 45.888 45.100 -0.020 0.000 0.676 156 G HN 0.411 nan 8.290 nan 0.000 0.528 157 M N -1.872 117.803 119.600 0.126 0.000 2.773 157 M HA 0.706 5.186 4.480 -0.000 0.000 0.270 157 M C 0.150 176.618 176.300 0.280 0.000 1.238 157 M CA -0.364 55.041 55.300 0.176 0.000 0.832 157 M CB 1.115 33.828 32.600 0.190 0.000 1.672 157 M HN 0.825 nan 8.290 nan 0.000 0.480 158 S N 0.899 116.735 115.700 0.226 0.000 2.600 158 S HA 0.613 5.082 4.470 -0.000 0.000 0.265 158 S C 1.029 175.735 174.600 0.178 0.000 1.325 158 S CA -0.069 58.249 58.200 0.196 0.000 1.002 158 S CB 1.265 64.535 63.200 0.116 0.000 0.921 158 S HN 1.030 nan 8.310 nan 0.000 0.554 159 A N 1.274 123.956 122.820 -0.230 0.000 1.933 159 A HA 0.030 4.349 4.320 -0.000 0.000 0.218 159 A C 1.801 179.317 177.584 -0.113 0.000 1.175 159 A CA 1.399 53.039 52.037 -0.662 0.000 0.628 159 A CB -1.153 17.248 19.000 -1.000 0.000 0.814 159 A HN 0.940 nan 8.150 nan 0.000 0.444 160 F N 1.232 121.028 119.950 -0.257 0.000 2.095 160 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 160 F C 2.191 177.950 175.800 -0.069 0.000 1.104 160 F CA 2.298 60.153 58.000 -0.242 0.000 1.232 160 F CB -0.407 38.488 39.000 -0.176 0.000 0.987 160 F HN 0.400 nan 8.300 nan 0.000 0.475 161 E N -1.491 118.719 120.200 0.017 0.000 2.106 161 E HA -0.266 4.084 4.350 -0.000 0.000 0.192 161 E C 2.044 178.643 176.600 -0.003 0.000 0.984 161 E CA 1.363 57.740 56.400 -0.037 0.000 0.806 161 E CB -0.602 29.149 29.700 0.085 0.000 0.750 161 E HN 0.593 nan 8.360 nan 0.000 0.458 162 Y N 1.146 121.462 120.300 0.025 0.000 2.224 162 Y HA -0.253 4.296 4.550 -0.000 0.000 0.289 162 Y C 2.003 177.905 175.900 0.003 0.000 1.146 162 Y CA 1.829 59.944 58.100 0.025 0.000 1.182 162 Y CB -0.169 38.353 38.460 0.102 0.000 0.983 162 Y HN 0.089 nan 8.280 nan 0.000 0.524 163 H N -1.133 117.867 119.070 -0.116 0.000 2.390 163 H HA -0.105 4.451 4.556 -0.000 0.000 0.298 163 H C 2.331 177.519 175.328 -0.233 0.000 1.106 163 H CA 1.475 57.432 56.048 -0.151 0.000 1.297 163 H CB -0.787 28.843 29.762 -0.221 0.000 1.375 163 H HN 0.429 nan 8.280 nan 0.000 0.509 164 G N -1.031 107.675 108.800 -0.156 0.000 2.744 164 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.211 164 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.211 164 G C 1.470 176.256 174.900 -0.190 0.000 1.143 164 G CA 1.120 46.117 45.100 -0.171 0.000 0.788 164 G HN 0.562 nan 8.290 nan 0.000 0.534 165 T N -4.114 110.262 114.554 -0.297 0.000 3.001 165 T HA 0.170 4.520 4.350 -0.000 0.000 0.251 165 T C 0.199 174.678 174.700 -0.368 0.000 1.040 165 T CA 0.142 62.052 62.100 -0.318 0.000 0.985 165 T CB 0.648 69.303 68.868 -0.355 0.000 1.011 165 T HN -0.005 nan 8.240 nan 0.000 0.509 166 D N 1.594 121.739 120.400 -0.424 0.000 2.375 166 D HA 0.382 5.021 4.640 -0.000 0.000 0.259 166 D C -2.249 173.983 176.300 -0.112 0.000 1.235 166 D CA -2.242 51.590 54.000 -0.279 0.000 0.924 166 D CB 2.040 42.607 40.800 -0.388 0.000 1.143 166 D HN -0.063 nan 8.370 nan 0.000 0.529 167 P HA -0.124 nan 4.420 nan 0.000 0.215 167 P C 1.473 178.766 177.300 -0.012 0.000 1.153 167 P CA 0.809 63.885 63.100 -0.040 0.000 0.853 167 P CB 0.373 32.053 31.700 -0.033 0.000 0.788 168 R N -1.047 119.464 120.500 0.018 0.000 2.080 168 R HA -0.185 4.155 4.340 -0.000 0.000 0.236 168 R C 2.180 178.519 176.300 0.066 0.000 1.137 168 R CA 1.687 57.814 56.100 0.046 0.000 0.943 168 R CB -1.071 29.272 30.300 0.072 0.000 0.846 168 R HN 0.104 nan 8.270 nan 0.000 0.431 169 F N 1.959 121.893 119.950 -0.026 0.000 2.234 169 F HA -0.149 4.377 4.527 -0.000 0.000 0.299 169 F C 1.965 177.729 175.800 -0.060 0.000 1.087 169 F CA 1.845 59.829 58.000 -0.027 0.000 1.340 169 F CB -0.560 38.435 39.000 -0.007 0.000 1.031 169 F HN 0.135 nan 8.300 nan 0.000 0.500 170 N N 0.367 118.944 118.700 -0.205 0.000 2.104 170 N HA -0.192 4.548 4.740 -0.000 0.000 0.190 170 N C 1.946 177.391 175.510 -0.107 0.000 1.024 170 N CA 1.618 54.546 53.050 -0.203 0.000 0.853 170 N CB -0.139 38.315 38.487 -0.055 0.000 1.008 170 N HN 0.266 nan 8.380 nan 0.000 0.424 171 R N -0.497 119.950 120.500 -0.088 0.000 2.092 171 R HA 0.000 4.340 4.340 -0.000 0.000 0.231 171 R C 2.045 178.288 176.300 -0.094 0.000 1.119 171 R CA 1.034 57.101 56.100 -0.056 0.000 0.970 171 R CB -0.372 29.910 30.300 -0.029 0.000 0.864 171 R HN 0.125 nan 8.270 nan 0.000 0.440 172 V N 0.941 120.763 119.914 -0.153 0.000 2.343 172 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 172 V C 1.955 177.922 176.094 -0.210 0.000 1.051 172 V CA 1.766 63.975 62.300 -0.151 0.000 1.036 172 V CB -0.545 31.208 31.823 -0.116 0.000 0.654 172 V HN 0.205 nan 8.190 nan 0.000 0.451 173 F N 1.858 121.470 119.950 -0.563 0.000 2.102 173 F HA -0.173 4.354 4.527 -0.000 0.000 0.298 173 F C 2.340 178.040 175.800 -0.166 0.000 1.105 173 F CA 1.977 59.719 58.000 -0.430 0.000 1.239 173 F CB -0.442 38.220 39.000 -0.564 0.000 0.991 173 F HN 0.177 nan 8.300 nan 0.000 0.474 174 N N 0.555 119.170 118.700 -0.142 0.000 2.166 174 N HA -0.193 4.547 4.740 -0.000 0.000 0.186 174 N C 1.819 177.230 175.510 -0.165 0.000 1.019 174 N CA 1.455 54.410 53.050 -0.159 0.000 0.856 174 N CB -0.533 37.958 38.487 0.006 0.000 0.993 174 N HN 0.396 nan 8.380 nan 0.000 0.426 175 E N 0.562 120.689 120.200 -0.123 0.000 2.072 175 E HA -0.035 4.315 4.350 -0.000 0.000 0.191 175 E C 1.926 178.467 176.600 -0.098 0.000 0.985 175 E CA 1.362 57.713 56.400 -0.081 0.000 0.801 175 E CB -0.750 28.920 29.700 -0.051 0.000 0.750 175 E HN 0.325 nan 8.360 nan 0.000 0.452 176 G N 0.496 109.204 108.800 -0.152 0.000 2.433 176 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 176 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 176 G C 1.476 176.279 174.900 -0.162 0.000 1.186 176 G CA 1.305 46.318 45.100 -0.144 0.000 0.779 176 G HN 0.188 nan 8.290 nan 0.000 0.543 177 M N 0.380 119.791 119.600 -0.314 0.000 2.159 177 M HA 0.035 4.515 4.480 -0.000 0.000 0.263 177 M C 2.308 178.574 176.300 -0.057 0.000 1.063 177 M CA 1.203 56.353 55.300 -0.250 0.000 1.110 177 M CB -0.818 31.499 32.600 -0.472 0.000 1.374 177 M HN 0.204 nan 8.290 nan 0.000 0.411 178 K N 0.827 121.189 120.400 -0.064 0.000 2.057 178 K HA -0.036 4.284 4.320 -0.000 0.000 0.206 178 K C 1.694 178.316 176.600 0.037 0.000 1.050 178 K CA 1.268 57.556 56.287 0.003 0.000 0.935 178 K CB -0.272 32.224 32.500 -0.007 0.000 0.715 178 K HN 0.326 nan 8.250 nan 0.000 0.439 179 N N -0.275 118.446 118.700 0.034 0.000 2.120 179 N HA -0.200 4.539 4.740 -0.000 0.000 0.188 179 N C 1.811 177.400 175.510 0.132 0.000 1.024 179 N CA 1.266 54.356 53.050 0.066 0.000 0.852 179 N CB -0.270 38.250 38.487 0.056 0.000 1.003 179 N HN 0.444 nan 8.380 nan 0.000 0.424 180 H N 0.226 119.310 119.070 0.024 0.000 2.321 180 H HA -0.057 4.499 4.556 -0.000 0.000 0.300 180 H C 2.232 177.676 175.328 0.192 0.000 1.087 180 H CA 1.286 57.376 56.048 0.071 0.000 1.319 180 H CB 0.185 29.926 29.762 -0.036 0.000 1.379 180 H HN 0.094 nan 8.280 nan 0.000 0.501 181 S N 0.077 115.883 115.700 0.176 0.000 2.368 181 S HA -0.107 4.363 4.470 -0.000 0.000 0.225 181 S C 2.287 176.905 174.600 0.029 0.000 1.030 181 S CA 1.157 59.460 58.200 0.171 0.000 0.999 181 S CB -0.281 63.034 63.200 0.191 0.000 0.844 181 S HN 0.400 nan 8.310 nan 0.000 0.459 182 I N 0.985 121.574 120.570 0.031 0.000 2.226 182 I HA -0.163 4.007 4.170 -0.000 0.000 0.245 182 I C 2.149 178.256 176.117 -0.017 0.000 1.100 182 I CA 1.210 62.509 61.300 -0.002 0.000 1.374 182 I CB -0.334 37.673 38.000 0.012 0.000 1.057 182 I HN 0.335 nan 8.210 nan 0.000 0.413 183 I N 0.413 120.995 120.570 0.021 0.000 2.179 183 I HA -0.301 3.869 4.170 -0.000 0.000 0.242 183 I C 2.376 178.478 176.117 -0.024 0.000 1.088 183 I CA 1.245 62.564 61.300 0.032 0.000 1.357 183 I CB -0.231 37.857 38.000 0.146 0.000 1.051 183 I HN 0.169 nan 8.210 nan 0.000 0.409 184 I N 0.415 120.955 120.570 -0.049 0.000 2.252 184 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 184 I C 2.614 178.634 176.117 -0.162 0.000 1.102 184 I CA 1.683 62.920 61.300 -0.105 0.000 1.385 184 I CB -1.696 36.209 38.000 -0.157 0.000 1.064 184 I HN 0.222 nan 8.210 nan 0.000 0.414 185 T N 1.297 115.757 114.554 -0.157 0.000 2.746 185 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 185 T C 1.955 176.564 174.700 -0.152 0.000 1.039 185 T CA 1.090 63.093 62.100 -0.161 0.000 1.142 185 T CB -0.018 68.762 68.868 -0.146 0.000 0.866 185 T HN 0.186 nan 8.240 nan 0.000 0.444 186 K N 1.166 121.480 120.400 -0.144 0.000 2.057 186 K HA -0.007 4.313 4.320 -0.000 0.000 0.207 186 K C 2.276 178.756 176.600 -0.201 0.000 1.049 186 K CA 0.977 57.167 56.287 -0.161 0.000 0.931 186 K CB -0.173 32.248 32.500 -0.131 0.000 0.714 186 K HN 0.241 nan 8.250 nan 0.000 0.440 187 K N 0.934 121.196 120.400 -0.229 0.000 2.155 187 K HA -0.072 4.248 4.320 -0.000 0.000 0.203 187 K C 2.158 178.633 176.600 -0.209 0.000 1.052 187 K CA 0.449 56.567 56.287 -0.282 0.000 0.948 187 K CB -0.536 31.727 32.500 -0.393 0.000 0.728 187 K HN 0.040 nan 8.250 nan 0.000 0.448 188 L N 1.270 122.389 121.223 -0.173 0.000 2.046 188 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 188 L C 2.040 178.891 176.870 -0.033 0.000 1.077 188 L CA 1.422 56.199 54.840 -0.105 0.000 0.747 188 L CB -0.435 41.573 42.059 -0.085 0.000 0.896 188 L HN 0.053 nan 8.230 nan 0.000 0.432 189 L N -0.859 120.291 121.223 -0.122 0.000 2.291 189 L HA -0.145 4.195 4.340 -0.000 0.000 0.214 189 L C 2.426 179.137 176.870 -0.265 0.000 1.120 189 L CA 1.309 55.994 54.840 -0.259 0.000 0.799 189 L CB -0.434 41.277 42.059 -0.580 0.000 0.925 189 L HN 0.466 nan 8.230 nan 0.000 0.446 190 E N 0.492 120.572 120.200 -0.200 0.000 2.190 190 E HA -0.087 4.263 4.350 -0.000 0.000 0.191 190 E C 1.968 178.484 176.600 -0.140 0.000 0.978 190 E CA 0.571 56.884 56.400 -0.144 0.000 0.839 190 E CB 0.294 29.906 29.700 -0.147 0.000 0.787 190 E HN 0.491 nan 8.360 nan 0.000 0.473 191 L N -0.322 120.796 121.223 -0.176 0.000 2.672 191 L HA 0.242 4.582 4.340 -0.000 0.000 0.236 191 L C 0.167 176.844 176.870 -0.322 0.000 1.092 191 L CA -0.399 54.313 54.840 -0.212 0.000 0.887 191 L CB 0.453 42.421 42.059 -0.151 0.000 1.168 191 L HN 0.092 nan 8.230 nan 0.000 0.502 192 Y N 0.459 120.508 120.300 -0.418 0.000 2.330 192 Y HA 0.319 4.868 4.550 -0.000 0.000 0.336 192 Y C 0.947 176.579 175.900 -0.446 0.000 1.036 192 Y CA -0.755 57.085 58.100 -0.433 0.000 1.125 192 Y CB 0.577 38.828 38.460 -0.347 0.000 1.194 192 Y HN 0.039 nan 8.280 nan 0.000 0.469 193 H N 3.360 122.059 119.070 -0.619 0.000 2.652 193 H HA 0.187 4.743 4.556 -0.000 0.000 0.274 193 H C 1.712 176.562 175.328 -0.797 0.000 1.021 193 H CA 0.619 56.367 56.048 -0.500 0.000 1.187 193 H CB 0.324 29.931 29.762 -0.259 0.000 1.505 193 H HN 0.977 nan 8.280 nan 0.000 0.530 194 G N -0.111 107.684 108.800 -1.674 0.000 2.625 194 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.214 194 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.214 194 G C 0.924 175.381 174.900 -0.739 0.000 1.132 194 G CA 0.117 44.464 45.100 -1.256 0.000 0.782 194 G HN 0.296 nan 8.290 nan 0.000 0.538 195 F N 0.425 120.125 119.950 -0.417 0.000 2.727 195 F HA 0.269 4.795 4.527 -0.000 0.000 0.302 195 F C 1.050 176.485 175.800 -0.609 0.000 1.097 195 F CA -0.528 57.240 58.000 -0.387 0.000 1.330 195 F CB 0.477 39.291 39.000 -0.312 0.000 1.084 195 F HN 0.075 nan 8.300 nan 0.000 0.578 196 E N 0.347 120.347 120.200 -0.333 0.000 2.354 196 E HA 0.312 4.662 4.350 -0.000 0.000 0.269 196 E C 1.028 177.525 176.600 -0.171 0.000 1.036 196 E CA 0.403 56.637 56.400 -0.277 0.000 0.876 196 E CB 0.847 30.493 29.700 -0.089 0.000 1.009 196 E HN 0.322 nan 8.360 nan 0.000 0.416 197 G N 2.523 111.246 108.800 -0.128 0.000 2.147 197 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.244 197 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.244 197 G C 0.058 174.922 174.900 -0.060 0.000 1.005 197 G CA -0.190 44.870 45.100 -0.067 0.000 0.713 197 G HN 0.382 nan 8.290 nan 0.000 0.515 198 L N -0.333 120.829 121.223 -0.102 0.000 2.375 198 L HA 0.593 4.933 4.340 -0.000 0.000 0.271 198 L C 1.652 178.493 176.870 -0.048 0.000 1.107 198 L CA 0.403 55.198 54.840 -0.075 0.000 0.806 198 L CB 1.300 43.298 42.059 -0.101 0.000 1.146 198 L HN 0.207 nan 8.230 nan 0.000 0.447 199 G N 1.040 109.821 108.800 -0.030 0.000 2.598 199 G HA2 0.079 4.039 3.960 -0.000 0.000 0.225 199 G HA3 0.079 4.039 3.960 -0.000 0.000 0.225 199 G C -0.060 174.820 174.900 -0.032 0.000 1.631 199 G CA 0.117 45.205 45.100 -0.020 0.000 0.821 199 G HN 0.482 nan 8.290 nan 0.000 0.610 200 T N 1.258 115.791 114.554 -0.036 0.000 2.758 200 T HA 0.523 4.872 4.350 -0.000 0.000 0.285 200 T C -1.266 173.398 174.700 -0.059 0.000 0.981 200 T CA -0.188 61.884 62.100 -0.047 0.000 0.965 200 T CB 1.846 70.689 68.868 -0.042 0.000 0.927 200 T HN 0.210 nan 8.240 nan 0.000 0.448 201 L N 5.722 126.900 121.223 -0.076 0.000 2.298 201 L HA 0.631 4.971 4.340 -0.000 0.000 0.284 201 L C -0.903 175.913 176.870 -0.091 0.000 1.013 201 L CA -0.522 54.263 54.840 -0.091 0.000 0.824 201 L CB 1.087 43.052 42.059 -0.157 0.000 1.221 201 L HN 0.401 nan 8.230 nan 0.000 0.418 202 V N 4.440 124.310 119.914 -0.073 0.000 2.350 202 V HA 0.324 4.444 4.120 -0.000 0.000 0.276 202 V C -0.380 175.687 176.094 -0.045 0.000 1.028 202 V CA -0.600 61.663 62.300 -0.061 0.000 0.860 202 V CB 1.267 33.042 31.823 -0.081 0.000 0.990 202 V HN 0.678 nan 8.190 nan 0.000 0.453 203 D N 4.532 124.915 120.400 -0.028 0.000 2.428 203 D HA 0.237 4.877 4.640 -0.000 0.000 0.221 203 D C -0.302 176.040 176.300 0.070 0.000 1.123 203 D CA -0.088 53.900 54.000 -0.021 0.000 0.869 203 D CB 1.475 42.238 40.800 -0.061 0.000 1.032 203 D HN 0.266 nan 8.370 nan 0.000 0.506 204 V N 3.429 123.390 119.914 0.078 0.000 2.455 204 V HA 0.408 4.528 4.120 -0.000 0.000 0.273 204 V C 1.483 177.646 176.094 0.114 0.000 1.045 204 V CA 0.317 62.726 62.300 0.181 0.000 0.976 204 V CB 0.893 32.787 31.823 0.119 0.000 0.993 204 V HN 0.856 nan 8.190 nan 0.000 0.475 205 G N 4.343 113.200 108.800 0.095 0.000 2.225 205 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.264 205 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.264 205 G C 0.828 175.758 174.900 0.050 0.000 1.060 205 G CA 0.139 45.263 45.100 0.039 0.000 0.833 205 G HN 1.318 nan 8.290 nan 0.000 0.498 206 G N -0.609 108.214 108.800 0.039 0.000 2.956 206 G HA2 0.499 4.459 3.960 -0.000 0.000 0.207 206 G HA3 0.499 4.459 3.960 -0.000 0.000 0.207 206 G C 1.737 176.658 174.900 0.035 0.000 1.162 206 G CA 1.436 46.551 45.100 0.026 0.000 0.796 206 G HN 2.051 nan 8.290 nan 0.000 0.527 207 G N -0.181 108.639 108.800 0.034 0.000 2.561 207 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.289 207 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.289 207 G C 1.276 176.201 174.900 0.041 0.000 1.169 207 G CA 1.801 46.923 45.100 0.037 0.000 0.980 207 G HN 1.238 nan 8.290 nan 0.000 0.550 208 V N -0.922 119.036 119.914 0.073 0.000 3.646 208 V HA 0.544 4.664 4.120 -0.000 0.000 0.277 208 V C 2.007 178.268 176.094 0.278 0.000 1.274 208 V CA 1.320 63.689 62.300 0.115 0.000 1.164 208 V CB -0.408 31.490 31.823 0.124 0.000 0.926 208 V HN 2.893 nan 8.190 nan 0.000 0.442 209 G N -0.195 108.688 108.800 0.139 0.000 2.136 209 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.242 209 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.242 209 G C 0.956 175.615 174.900 -0.401 0.000 0.989 209 G CA 0.367 45.463 45.100 -0.007 0.000 0.682 209 G HN 1.319 nan 8.290 nan 0.000 0.522 210 A N -0.580 122.074 122.820 -0.277 0.000 1.972 210 A HA 0.148 4.467 4.320 -0.000 0.000 0.219 210 A C 2.451 179.834 177.584 -0.335 0.000 1.169 210 A CA 2.760 54.567 52.037 -0.383 0.000 0.635 210 A CB -0.611 18.347 19.000 -0.071 0.000 0.810 210 A HN 0.777 nan 8.150 nan 0.000 0.446 211 T N -0.980 113.434 114.554 -0.234 0.000 2.732 211 T HA -0.105 4.245 4.350 -0.000 0.000 0.261 211 T C 1.846 176.385 174.700 -0.269 0.000 1.040 211 T CA 1.407 63.374 62.100 -0.221 0.000 1.145 211 T CB -0.538 68.215 68.868 -0.192 0.000 0.866 211 T HN 0.178 nan 8.240 nan 0.000 0.427 212 V N 1.445 121.193 119.914 -0.276 0.000 2.626 212 V HA -0.055 4.065 4.120 -0.000 0.000 0.252 212 V C 2.546 178.464 176.094 -0.295 0.000 1.067 212 V CA 1.660 63.792 62.300 -0.280 0.000 1.081 212 V CB -0.912 30.777 31.823 -0.222 0.000 0.686 212 V HN 0.513 nan 8.190 nan 0.000 0.468 213 A N -0.207 122.359 122.820 -0.423 0.000 1.898 213 A HA 0.011 4.331 4.320 -0.000 0.000 0.216 213 A C 2.419 179.862 177.584 -0.235 0.000 1.181 213 A CA 1.833 53.609 52.037 -0.435 0.000 0.620 213 A CB -0.859 17.500 19.000 -1.068 0.000 0.819 213 A HN 0.753 nan 8.150 nan 0.000 0.442 214 A N -0.017 122.665 122.820 -0.230 0.000 1.933 214 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 214 A C 2.096 179.622 177.584 -0.095 0.000 1.175 214 A CA 1.480 53.438 52.037 -0.132 0.000 0.628 214 A CB -0.577 18.341 19.000 -0.137 0.000 0.814 214 A HN 0.499 nan 8.150 nan 0.000 0.444 215 I N -0.337 120.149 120.570 -0.141 0.000 2.252 215 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 215 I C 2.929 179.073 176.117 0.046 0.000 1.102 215 I CA 1.017 62.266 61.300 -0.084 0.000 1.385 215 I CB -0.335 37.465 38.000 -0.333 0.000 1.064 215 I HN 0.342 nan 8.210 nan 0.000 0.414 216 A N 0.729 123.526 122.820 -0.038 0.000 1.972 216 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 216 A C 2.500 180.101 177.584 0.029 0.000 1.169 216 A CA 1.697 53.737 52.037 0.005 0.000 0.635 216 A CB -0.658 18.315 19.000 -0.045 0.000 0.810 216 A HN 0.431 nan 8.150 nan 0.000 0.446 217 A N -1.405 121.420 122.820 0.007 0.000 1.968 217 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 217 A C 1.971 179.546 177.584 -0.015 0.000 1.169 217 A CA 1.839 53.879 52.037 0.006 0.000 0.638 217 A CB -0.685 18.320 19.000 0.009 0.000 0.812 217 A HN 0.711 nan 8.150 nan 0.000 0.446 218 H N -2.169 116.819 119.070 -0.137 0.000 2.436 218 H HA 0.059 4.615 4.556 -0.000 0.000 0.294 218 H C -0.522 174.552 175.328 -0.422 0.000 1.048 218 H CA 1.150 57.014 56.048 -0.306 0.000 1.353 218 H CB -0.050 29.463 29.762 -0.415 0.000 1.414 218 H HN 0.487 nan 8.280 nan 0.000 0.536 219 Y N -0.165 120.141 120.300 0.009 0.000 2.805 219 Y HA 0.266 4.816 4.550 -0.000 0.000 0.339 219 Y C -1.784 174.096 175.900 -0.034 0.000 1.012 219 Y CA -2.641 55.443 58.100 -0.027 0.000 1.262 219 Y CB 1.427 39.900 38.460 0.023 0.000 1.100 219 Y HN 0.150 nan 8.280 nan 0.000 0.559 220 P HA -0.188 nan 4.420 nan 0.000 0.217 220 P C 1.403 178.727 177.300 0.040 0.000 1.148 220 P CA 1.782 64.900 63.100 0.030 0.000 0.834 220 P CB 0.305 32.005 31.700 -0.000 0.000 0.783 221 T N -0.743 113.848 114.554 0.060 0.000 2.867 221 T HA -0.019 4.331 4.350 -0.000 0.000 0.268 221 T C 0.981 175.695 174.700 0.023 0.000 1.057 221 T CA 0.464 62.587 62.100 0.037 0.000 1.136 221 T CB -0.587 68.304 68.868 0.038 0.000 0.874 221 T HN 0.065 nan 8.240 nan 0.000 0.466 222 I N 1.804 122.395 120.570 0.034 0.000 2.692 222 I HA 0.052 4.222 4.170 -0.000 0.000 0.284 222 I C 0.426 176.534 176.117 -0.015 0.000 1.159 222 I CA 0.302 61.601 61.300 -0.002 0.000 1.423 222 I CB 0.522 38.517 38.000 -0.008 0.000 1.380 222 I HN -0.083 nan 8.210 nan 0.000 0.580 223 K N 4.805 125.187 120.400 -0.031 0.000 2.334 223 K HA 0.381 4.701 4.320 -0.000 0.000 0.265 223 K C 0.002 176.568 176.600 -0.056 0.000 1.039 223 K CA -0.353 55.913 56.287 -0.035 0.000 0.920 223 K CB 1.538 34.021 32.500 -0.028 0.000 1.160 223 K HN 0.793 nan 8.250 nan 0.000 0.451 224 G N 1.461 110.220 108.800 -0.068 0.000 2.377 224 G HA2 0.440 4.400 3.960 -0.000 0.000 0.299 224 G HA3 0.440 4.400 3.960 -0.000 0.000 0.299 224 G C -0.730 174.114 174.900 -0.094 0.000 1.150 224 G CA -0.397 44.645 45.100 -0.097 0.000 0.847 224 G HN 0.333 nan 8.290 nan 0.000 0.501 225 V N 2.386 122.249 119.914 -0.084 0.000 2.443 225 V HA 0.256 4.376 4.120 -0.000 0.000 0.293 225 V C -0.413 175.669 176.094 -0.020 0.000 1.021 225 V CA -1.123 61.146 62.300 -0.052 0.000 0.848 225 V CB 1.563 33.367 31.823 -0.031 0.000 0.998 225 V HN 0.781 nan 8.190 nan 0.000 0.424 226 N N 3.872 122.570 118.700 -0.005 0.000 2.422 226 N HA 0.445 5.185 4.740 -0.000 0.000 0.266 226 N C -1.350 174.288 175.510 0.213 0.000 1.007 226 N CA -0.228 52.873 53.050 0.086 0.000 0.941 226 N CB 0.889 39.461 38.487 0.141 0.000 1.115 226 N HN 0.494 nan 8.380 nan 0.000 0.492 227 F N 3.431 123.391 119.950 0.017 0.000 2.467 227 F HA 0.563 5.090 4.527 -0.000 0.000 0.336 227 F C -0.422 175.383 175.800 0.009 0.000 1.123 227 F CA -0.512 57.495 58.000 0.013 0.000 0.964 227 F CB 1.064 40.054 39.000 -0.017 0.000 1.136 227 F HN 0.471 nan 8.300 nan 0.000 0.447 228 D N 3.604 123.620 120.400 -0.640 0.000 2.851 228 D HA 0.300 4.939 4.640 -0.000 0.000 0.339 228 D C -1.193 174.775 176.300 -0.553 0.000 1.347 228 D CA -0.416 53.265 54.000 -0.531 0.000 0.888 228 D CB 1.641 42.309 40.800 -0.219 0.000 1.431 228 D HN 0.490 nan 8.370 nan 0.000 0.509 229 L N 1.666 122.677 121.223 -0.353 0.000 2.461 229 L HA 0.150 4.489 4.340 -0.000 0.000 0.272 229 L C -1.324 175.414 176.870 -0.220 0.000 1.197 229 L CA -1.097 53.593 54.840 -0.251 0.000 0.836 229 L CB 0.378 42.329 42.059 -0.179 0.000 1.105 229 L HN 0.327 nan 8.230 nan 0.000 0.477 230 P HA -0.232 nan 4.420 nan 0.000 0.216 230 P C 1.338 178.630 177.300 -0.013 0.000 1.157 230 P CA 1.537 64.625 63.100 -0.020 0.000 0.880 230 P CB -0.126 31.605 31.700 0.050 0.000 0.791 231 H N -1.658 117.409 119.070 -0.005 0.000 2.545 231 H HA 0.044 4.599 4.556 -0.000 0.000 0.282 231 H C 1.414 176.744 175.328 0.003 0.000 1.020 231 H CA 0.814 56.865 56.048 0.006 0.000 1.243 231 H CB -0.977 28.800 29.762 0.024 0.000 1.377 231 H HN 0.017 nan 8.280 nan 0.000 0.581 232 V N 1.364 120.977 119.914 -0.501 0.000 2.426 232 V HA -0.130 3.990 4.120 -0.000 0.000 0.242 232 V C 2.762 178.750 176.094 -0.177 0.000 1.036 232 V CA 0.619 62.722 62.300 -0.328 0.000 1.044 232 V CB -0.214 31.404 31.823 -0.342 0.000 0.688 232 V HN 0.241 nan 8.190 nan 0.000 0.462 233 I N 1.653 122.122 120.570 -0.169 0.000 2.286 233 I HA -0.186 3.984 4.170 -0.000 0.000 0.248 233 I C 2.716 178.746 176.117 -0.144 0.000 1.115 233 I CA 2.130 63.343 61.300 -0.145 0.000 1.392 233 I CB -1.416 36.542 38.000 -0.071 0.000 1.065 233 I HN 0.520 nan 8.210 nan 0.000 0.418 234 S N 0.561 116.212 115.700 -0.081 0.000 2.442 234 S HA -0.128 4.341 4.470 -0.000 0.000 0.236 234 S C 1.393 175.954 174.600 -0.064 0.000 1.007 234 S CA 0.908 59.079 58.200 -0.049 0.000 0.965 234 S CB -0.258 62.941 63.200 -0.003 0.000 0.773 234 S HN 0.451 nan 8.310 nan 0.000 0.504 235 E N 1.279 121.433 120.200 -0.077 0.000 2.481 235 E HA 0.451 4.800 4.350 -0.000 0.000 0.198 235 E C 0.504 177.043 176.600 -0.102 0.000 1.027 235 E CA 0.221 56.583 56.400 -0.065 0.000 0.900 235 E CB 0.339 30.023 29.700 -0.028 0.000 0.993 235 E HN 0.648 nan 8.360 nan 0.000 0.482 236 A N 2.939 125.645 122.820 -0.191 0.000 2.407 236 A HA 0.412 4.732 4.320 -0.000 0.000 0.248 236 A C -2.101 175.346 177.584 -0.229 0.000 1.082 236 A CA -0.906 50.975 52.037 -0.259 0.000 0.785 236 A CB -0.061 18.547 19.000 -0.655 0.000 1.020 236 A HN -0.104 nan 8.150 nan 0.000 0.489 237 P HA 0.217 nan 4.420 nan 0.000 0.277 237 P C -0.618 176.499 177.300 -0.305 0.000 1.271 237 P CA -0.580 62.341 63.100 -0.298 0.000 0.795 237 P CB 0.421 31.837 31.700 -0.474 0.000 1.101 238 Q N 0.835 120.436 119.800 -0.330 0.000 2.243 238 Q HA 0.354 4.694 4.340 -0.000 0.000 0.252 238 Q C -1.712 174.046 176.000 -0.402 0.000 0.909 238 Q CA -0.075 55.625 55.803 -0.173 0.000 0.922 238 Q CB 0.238 28.927 28.738 -0.083 0.000 1.215 238 Q HN 0.318 nan 8.270 nan 0.000 0.427 239 F N 3.439 123.423 119.950 0.057 0.000 2.565 239 F HA 0.446 4.973 4.527 -0.000 0.000 0.313 239 F C -1.998 173.792 175.800 -0.016 0.000 1.091 239 F CA -2.214 55.795 58.000 0.014 0.000 0.915 239 F CB 1.808 40.809 39.000 0.002 0.000 1.208 239 F HN 0.447 nan 8.300 nan 0.000 0.453 240 P HA 0.223 nan 4.420 nan 0.000 0.267 240 P C 0.583 177.921 177.300 0.063 0.000 1.205 240 P CA 0.677 63.828 63.100 0.085 0.000 0.765 240 P CB 0.636 32.375 31.700 0.064 0.000 0.828 241 G N 1.413 110.232 108.800 0.030 0.000 2.162 241 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.260 241 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.260 241 G C -0.023 174.864 174.900 -0.022 0.000 0.976 241 G CA -0.070 45.032 45.100 0.003 0.000 0.655 241 G HN 0.525 nan 8.290 nan 0.000 0.533 242 V N 0.690 120.593 119.914 -0.019 0.000 2.495 242 V HA 0.720 4.840 4.120 -0.000 0.000 0.298 242 V C 0.213 176.210 176.094 -0.161 0.000 1.031 242 V CA -0.237 62.004 62.300 -0.099 0.000 0.871 242 V CB 2.008 33.770 31.823 -0.102 0.000 0.988 242 V HN 0.248 nan 8.190 nan 0.000 0.432 243 T N 4.067 118.514 114.554 -0.179 0.000 2.792 243 T HA 0.462 4.812 4.350 -0.000 0.000 0.280 243 T C -0.555 174.047 174.700 -0.164 0.000 0.990 243 T CA -0.420 61.599 62.100 -0.133 0.000 0.960 243 T CB 0.401 69.245 68.868 -0.040 0.000 0.939 243 T HN 0.598 nan 8.240 nan 0.000 0.439 244 H N 1.935 121.051 119.070 0.077 0.000 2.527 244 H HA 0.511 5.067 4.556 -0.000 0.000 0.321 244 H C -0.475 174.904 175.328 0.086 0.000 1.087 244 H CA -0.304 55.793 56.048 0.081 0.000 1.337 244 H CB 1.211 31.017 29.762 0.073 0.000 1.440 244 H HN 0.253 nan 8.280 nan 0.000 0.490 245 V N 2.559 122.618 119.914 0.242 0.000 2.638 245 V HA 0.420 4.539 4.120 -0.000 0.000 0.306 245 V C 0.613 176.837 176.094 0.217 0.000 1.052 245 V CA -0.968 61.477 62.300 0.241 0.000 0.885 245 V CB 2.090 34.087 31.823 0.289 0.000 0.999 245 V HN 0.929 nan 8.190 nan 0.000 0.424 246 G N 1.754 110.631 108.800 0.129 0.000 2.389 246 G HA2 0.803 4.763 3.960 -0.000 0.000 0.328 246 G HA3 0.803 4.763 3.960 -0.000 0.000 0.328 246 G C -0.003 174.932 174.900 0.058 0.000 1.133 246 G CA 0.158 45.252 45.100 -0.009 0.000 0.891 246 G HN 1.268 nan 8.290 nan 0.000 0.485 247 G N -0.023 108.693 108.800 -0.139 0.000 2.393 247 G HA2 0.419 4.379 3.960 -0.000 0.000 0.264 247 G HA3 0.419 4.379 3.960 -0.000 0.000 0.264 247 G C -2.065 172.805 174.900 -0.049 0.000 1.221 247 G CA -0.364 44.776 45.100 0.067 0.000 0.912 247 G HN 0.696 nan 8.290 nan 0.000 0.483 248 D N 0.510 121.011 120.400 0.168 0.000 2.473 248 D HA 0.316 4.956 4.640 -0.000 0.000 0.253 248 D C 1.692 178.109 176.300 0.194 0.000 1.233 248 D CA -0.543 53.524 54.000 0.111 0.000 0.908 248 D CB 1.187 42.063 40.800 0.126 0.000 1.170 248 D HN 0.557 nan 8.370 nan 0.000 0.558 249 M N 1.249 120.903 119.600 0.091 0.000 2.358 249 M HA -0.014 4.466 4.480 -0.000 0.000 0.264 249 M C 0.404 176.557 176.300 -0.245 0.000 1.064 249 M CA 1.252 56.565 55.300 0.021 0.000 1.093 249 M CB -0.412 32.092 32.600 -0.161 0.000 1.401 249 M HN 0.139 nan 8.290 nan 0.000 0.440 250 F N 1.127 121.067 119.950 -0.017 0.000 2.780 250 F HA 0.139 4.666 4.527 -0.000 0.000 0.299 250 F C 2.073 177.873 175.800 0.001 0.000 1.146 250 F CA 0.613 58.580 58.000 -0.055 0.000 1.428 250 F CB 0.011 38.928 39.000 -0.137 0.000 1.115 250 F HN 0.151 nan 8.300 nan 0.000 0.583 251 K N -0.542 119.949 120.400 0.151 0.000 2.344 251 K HA 0.157 4.476 4.320 -0.000 0.000 0.200 251 K C 0.302 176.945 176.600 0.072 0.000 1.132 251 K CA 0.303 56.658 56.287 0.113 0.000 0.935 251 K CB 0.890 33.457 32.500 0.110 0.000 1.089 251 K HN 0.039 nan 8.250 nan 0.000 0.496 252 E N 0.602 120.839 120.200 0.061 0.000 2.388 252 E HA 0.180 4.530 4.350 -0.000 0.000 0.282 252 E C -1.788 174.745 176.600 -0.110 0.000 1.026 252 E CA -0.676 55.720 56.400 -0.006 0.000 0.820 252 E CB 1.964 31.663 29.700 -0.000 0.000 1.226 252 E HN -0.047 nan 8.360 nan 0.000 0.432 253 V N 0.111 119.881 119.914 -0.240 0.000 2.864 253 V HA 0.746 4.866 4.120 -0.000 0.000 0.314 253 V C -2.655 173.140 176.094 -0.499 0.000 1.073 253 V CA -2.241 59.713 62.300 -0.577 0.000 0.956 253 V CB 1.120 32.717 31.823 -0.377 0.000 1.023 253 V HN 0.555 nan 8.190 nan 0.000 0.435 254 P HA 0.276 nan 4.420 nan 0.000 0.269 254 P C -0.200 176.970 177.300 -0.216 0.000 1.209 254 P CA 0.265 63.151 63.100 -0.356 0.000 0.776 254 P CB 0.481 31.982 31.700 -0.332 0.000 0.876 255 S N 0.722 116.340 115.700 -0.136 0.000 2.580 255 S HA 0.633 5.103 4.470 -0.000 0.000 0.274 255 S C 0.505 175.055 174.600 -0.083 0.000 1.329 255 S CA 0.265 58.408 58.200 -0.095 0.000 1.036 255 S CB 0.586 63.746 63.200 -0.066 0.000 0.919 255 S HN 0.727 nan 8.310 nan 0.000 0.515 256 G N 0.815 109.570 108.800 -0.075 0.000 2.550 256 G HA2 0.365 4.325 3.960 -0.000 0.000 0.293 256 G HA3 0.365 4.325 3.960 -0.000 0.000 0.293 256 G C -0.595 174.260 174.900 -0.075 0.000 1.402 256 G CA -0.607 44.453 45.100 -0.067 0.000 0.784 256 G HN 0.512 nan 8.290 nan 0.000 0.482 257 D N -0.511 119.842 120.400 -0.079 0.000 2.213 257 D HA 0.104 4.744 4.640 -0.000 0.000 0.205 257 D C 0.548 176.766 176.300 -0.137 0.000 0.961 257 D CA 1.386 55.306 54.000 -0.133 0.000 0.853 257 D CB 0.459 41.198 40.800 -0.101 0.000 0.967 257 D HN 0.258 nan 8.370 nan 0.000 0.496 258 T N 0.565 115.076 114.554 -0.072 0.000 2.916 258 T HA 0.511 4.861 4.350 -0.000 0.000 0.298 258 T C -0.249 174.440 174.700 -0.019 0.000 1.031 258 T CA -0.511 61.570 62.100 -0.032 0.000 0.993 258 T CB 2.396 71.284 68.868 0.034 0.000 1.045 258 T HN -0.167 nan 8.240 nan 0.000 0.454 259 I N 3.140 123.701 120.570 -0.015 0.000 2.378 259 I HA 0.484 4.653 4.170 -0.000 0.000 0.291 259 I C -0.953 175.150 176.117 -0.023 0.000 0.992 259 I CA -0.999 60.287 61.300 -0.024 0.000 1.154 259 I CB 1.732 39.721 38.000 -0.019 0.000 1.315 259 I HN 0.347 nan 8.210 nan 0.000 0.448 260 L N 7.980 129.188 121.223 -0.024 0.000 2.307 260 L HA 0.602 4.942 4.340 -0.000 0.000 0.284 260 L C -0.959 175.869 176.870 -0.070 0.000 1.023 260 L CA -0.060 54.757 54.840 -0.038 0.000 0.810 260 L CB 1.297 43.337 42.059 -0.030 0.000 1.231 260 L HN 0.542 nan 8.230 nan 0.000 0.423 261 M N 5.720 125.253 119.600 -0.112 0.000 2.007 261 M HA 0.325 4.804 4.480 -0.000 0.000 0.285 261 M C -0.910 175.297 176.300 -0.155 0.000 0.893 261 M CA -0.446 54.803 55.300 -0.084 0.000 0.925 261 M CB 1.421 33.995 32.600 -0.043 0.000 1.568 261 M HN 0.547 nan 8.290 nan 0.000 0.414 262 K N 3.580 123.869 120.400 -0.184 0.000 2.267 262 K HA 0.170 4.490 4.320 -0.000 0.000 0.282 262 K C -0.601 175.899 176.600 -0.167 0.000 1.078 262 K CA 0.025 56.076 56.287 -0.393 0.000 0.903 262 K CB 0.685 32.885 32.500 -0.501 0.000 1.111 262 K HN 0.604 nan 8.250 nan 0.000 0.475 263 W N 4.562 125.806 121.300 -0.095 0.000 5.563 263 W HA -0.252 4.407 4.660 -0.000 0.000 0.396 263 W C -0.109 176.470 176.519 0.099 0.000 1.519 263 W CA -0.075 57.175 57.345 -0.159 0.000 0.953 263 W CB -1.976 27.419 29.460 -0.108 0.000 2.691 263 W HN 0.566 nan 8.180 nan 0.000 1.444 264 I N -0.822 119.943 120.570 0.325 0.000 2.900 264 I HA -0.097 4.073 4.170 -0.000 0.000 0.251 264 I C 2.511 178.982 176.117 0.592 0.000 1.102 264 I CA 0.473 62.029 61.300 0.427 0.000 1.457 264 I CB -1.276 36.886 38.000 0.269 0.000 1.285 264 I HN -0.074 nan 8.210 nan 0.000 0.459 265 L N 1.171 122.681 121.223 0.479 0.000 2.081 265 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 265 L C 2.644 179.868 176.870 0.589 0.000 1.080 265 L CA 2.073 57.242 54.840 0.548 0.000 0.754 265 L CB -1.239 41.125 42.059 0.508 0.000 0.893 265 L HN 0.536 nan 8.230 nan 0.000 0.433 266 H N -1.948 117.346 119.070 0.375 0.000 2.518 266 H HA -0.119 4.437 4.556 -0.000 0.000 0.289 266 H C 1.100 176.525 175.328 0.161 0.000 1.051 266 H CA 0.873 57.080 56.048 0.265 0.000 1.280 266 H CB -0.112 29.803 29.762 0.254 0.000 1.380 266 H HN 0.280 nan 8.280 nan 0.000 0.566 267 D N -0.353 120.132 120.400 0.142 0.000 2.339 267 D HA 0.045 4.685 4.640 -0.000 0.000 0.217 267 D C -0.539 175.532 176.300 -0.382 0.000 1.050 267 D CA 0.261 54.097 54.000 -0.273 0.000 0.856 267 D CB 0.154 40.739 40.800 -0.359 0.000 0.922 267 D HN 0.416 nan 8.370 nan 0.000 0.518 268 W N 0.754 122.161 121.300 0.178 0.000 2.799 268 W HA 0.319 4.979 4.660 -0.000 0.000 0.349 268 W C 0.602 177.238 176.519 0.194 0.000 1.100 268 W CA -0.939 56.538 57.345 0.219 0.000 1.174 268 W CB 0.635 30.296 29.460 0.336 0.000 1.427 268 W HN -0.345 nan 8.180 nan 0.000 0.547 269 S N 0.178 116.160 115.700 0.470 0.000 2.589 269 S HA 0.018 4.487 4.470 -0.000 0.000 0.265 269 S C 0.680 175.403 174.600 0.205 0.000 1.342 269 S CA -0.060 58.280 58.200 0.234 0.000 1.005 269 S CB 0.831 64.096 63.200 0.109 0.000 0.909 269 S HN 0.524 nan 8.310 nan 0.000 0.555 270 D N 1.085 121.548 120.400 0.106 0.000 2.123 270 D HA -0.111 4.528 4.640 -0.000 0.000 0.196 270 D C 2.034 178.376 176.300 0.071 0.000 0.992 270 D CA 1.552 55.607 54.000 0.093 0.000 0.833 270 D CB -0.452 40.376 40.800 0.046 0.000 0.954 270 D HN 0.608 nan 8.370 nan 0.000 0.455 271 Q N -0.081 119.705 119.800 -0.023 0.000 2.061 271 Q HA -0.140 4.199 4.340 -0.000 0.000 0.204 271 Q C 2.128 178.105 176.000 -0.039 0.000 0.984 271 Q CA 1.187 56.935 55.803 -0.092 0.000 0.846 271 Q CB -0.517 28.077 28.738 -0.240 0.000 0.902 271 Q HN 0.510 nan 8.270 nan 0.000 0.421 272 H N -1.138 117.992 119.070 0.101 0.000 2.389 272 H HA -0.004 4.552 4.556 -0.000 0.000 0.299 272 H C 2.143 177.624 175.328 0.254 0.000 1.081 272 H CA 1.056 57.156 56.048 0.087 0.000 1.345 272 H CB -0.544 29.236 29.762 0.031 0.000 1.393 272 H HN 0.292 nan 8.280 nan 0.000 0.520 273 C N 0.821 120.339 119.300 0.363 0.000 2.425 273 C HA -0.039 4.420 4.460 -0.000 0.000 0.277 273 C C 3.111 178.244 174.990 0.238 0.000 1.280 273 C CA 0.768 59.972 59.018 0.309 0.000 1.744 273 C CB -1.032 26.892 27.740 0.307 0.000 1.989 273 C HN 0.632 nan 8.230 nan 0.000 0.491 274 A N 0.336 123.268 122.820 0.186 0.000 1.877 274 A HA -0.185 4.134 4.320 -0.000 0.000 0.216 274 A C 2.203 179.875 177.584 0.147 0.000 1.186 274 A CA 2.575 54.696 52.037 0.139 0.000 0.620 274 A CB -1.171 17.879 19.000 0.084 0.000 0.822 274 A HN 0.552 nan 8.150 nan 0.000 0.443 275 T N 0.175 114.833 114.554 0.173 0.000 2.684 275 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 275 T C 1.863 176.677 174.700 0.190 0.000 1.036 275 T CA 1.614 63.826 62.100 0.187 0.000 1.148 275 T CB -0.441 68.578 68.868 0.252 0.000 0.863 275 T HN 0.340 nan 8.240 nan 0.000 0.436 276 L N 1.025 122.374 121.223 0.209 0.000 2.017 276 L HA 0.032 4.372 4.340 -0.000 0.000 0.208 276 L C 2.171 179.109 176.870 0.113 0.000 1.073 276 L CA 1.625 56.497 54.840 0.052 0.000 0.745 276 L CB -0.868 41.136 42.059 -0.092 0.000 0.894 276 L HN 0.252 nan 8.230 nan 0.000 0.432 277 L N -0.487 120.851 121.223 0.192 0.000 2.131 277 L HA -0.201 4.138 4.340 -0.000 0.000 0.210 277 L C 2.563 179.634 176.870 0.335 0.000 1.092 277 L CA 1.387 56.409 54.840 0.303 0.000 0.759 277 L CB -0.585 41.676 42.059 0.337 0.000 0.903 277 L HN 0.298 nan 8.230 nan 0.000 0.435 278 K N 0.484 121.004 120.400 0.200 0.000 2.097 278 K HA -0.127 4.193 4.320 -0.000 0.000 0.205 278 K C 1.780 178.464 176.600 0.140 0.000 1.050 278 K CA 1.338 57.700 56.287 0.125 0.000 0.938 278 K CB -0.171 32.361 32.500 0.053 0.000 0.718 278 K HN 0.163 nan 8.250 nan 0.000 0.442 279 N N 0.046 118.816 118.700 0.117 0.000 2.223 279 N HA -0.137 4.603 4.740 -0.000 0.000 0.185 279 N C 1.701 177.261 175.510 0.084 0.000 1.016 279 N CA 1.351 54.446 53.050 0.075 0.000 0.863 279 N CB -0.665 37.843 38.487 0.034 0.000 0.983 279 N HN 0.239 nan 8.380 nan 0.000 0.429 280 C N -0.062 119.327 119.300 0.148 0.000 2.446 280 C HA -0.071 4.389 4.460 -0.000 0.000 0.277 280 C C 2.471 177.597 174.990 0.227 0.000 1.275 280 C CA -0.103 59.020 59.018 0.175 0.000 1.727 280 C CB -1.252 26.640 27.740 0.253 0.000 2.010 280 C HN 0.451 nan 8.230 nan 0.000 0.486 281 Y N 2.274 122.663 120.300 0.147 0.000 2.081 281 Y HA -0.243 4.307 4.550 -0.000 0.000 0.280 281 Y C 2.154 178.001 175.900 -0.089 0.000 1.163 281 Y CA 2.183 60.212 58.100 -0.119 0.000 1.135 281 Y CB -0.333 37.876 38.460 -0.418 0.000 0.970 281 Y HN 0.340 nan 8.280 nan 0.000 0.498 282 D N -0.249 120.258 120.400 0.178 0.000 2.264 282 D HA -0.105 4.535 4.640 -0.000 0.000 0.208 282 D C 1.934 178.234 176.300 0.001 0.000 0.966 282 D CA 1.203 55.260 54.000 0.094 0.000 0.864 282 D CB -0.336 40.515 40.800 0.086 0.000 0.933 282 D HN 0.486 nan 8.370 nan 0.000 0.499 283 A N -0.120 122.691 122.820 -0.014 0.000 2.178 283 A HA 0.157 4.477 4.320 -0.000 0.000 0.211 283 A C 1.044 178.587 177.584 -0.067 0.000 1.157 283 A CA 0.048 52.056 52.037 -0.050 0.000 0.780 283 A CB 0.018 18.974 19.000 -0.073 0.000 0.828 283 A HN 0.113 nan 8.150 nan 0.000 0.476 284 L N 1.021 122.190 121.223 -0.089 0.000 2.344 284 L HA 0.373 4.713 4.340 -0.000 0.000 0.272 284 L C -1.976 174.809 176.870 -0.141 0.000 1.035 284 L CA -2.369 52.401 54.840 -0.116 0.000 0.807 284 L CB 1.493 43.485 42.059 -0.113 0.000 1.237 284 L HN 0.086 nan 8.230 nan 0.000 0.442 285 P HA 0.110 nan 4.420 nan 0.000 0.279 285 P C 0.020 177.287 177.300 -0.054 0.000 1.282 285 P CA -0.400 62.680 63.100 -0.033 0.000 0.788 285 P CB 0.847 32.593 31.700 0.077 0.000 1.139 286 A N 0.477 123.317 122.820 0.034 0.000 1.933 286 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 286 A C 1.828 179.451 177.584 0.065 0.000 1.175 286 A CA 1.661 53.705 52.037 0.011 0.000 0.628 286 A CB -1.660 17.362 19.000 0.036 0.000 0.814 286 A HN 0.787 nan 8.150 nan 0.000 0.444 287 H N -0.726 118.319 119.070 -0.042 0.000 2.524 287 H HA 0.344 4.900 4.556 -0.000 0.000 0.280 287 H C 0.704 176.025 175.328 -0.011 0.000 1.018 287 H CA 0.190 56.227 56.048 -0.019 0.000 1.165 287 H CB -1.129 28.623 29.762 -0.017 0.000 1.411 287 H HN 0.259 nan 8.280 nan 0.000 0.569 288 G N 0.879 109.493 108.800 -0.310 0.000 2.616 288 G HA2 0.448 4.408 3.960 -0.000 0.000 0.268 288 G HA3 0.448 4.408 3.960 -0.000 0.000 0.268 288 G C -0.545 174.309 174.900 -0.077 0.000 1.213 288 G CA -0.618 44.309 45.100 -0.288 0.000 0.926 288 G HN 0.537 nan 8.290 nan 0.000 0.523 289 K N -2.139 118.237 120.400 -0.041 0.000 2.575 289 K HA 0.612 4.932 4.320 -0.000 0.000 0.279 289 K C -1.872 174.718 176.600 -0.016 0.000 0.969 289 K CA -0.941 55.362 56.287 0.028 0.000 0.868 289 K CB 1.911 34.404 32.500 -0.011 0.000 1.457 289 K HN 0.299 nan 8.250 nan 0.000 0.426 290 V N 1.606 121.457 119.914 -0.105 0.000 2.483 290 V HA 0.441 4.561 4.120 -0.000 0.000 0.295 290 V C -0.890 175.007 176.094 -0.329 0.000 1.035 290 V CA -0.741 61.441 62.300 -0.197 0.000 0.896 290 V CB 1.715 33.373 31.823 -0.275 0.000 0.986 290 V HN 0.569 nan 8.190 nan 0.000 0.447 291 V N 6.411 126.163 119.914 -0.271 0.000 2.407 291 V HA 0.483 4.603 4.120 -0.000 0.000 0.291 291 V C -0.262 175.603 176.094 -0.381 0.000 1.018 291 V CA -0.446 61.655 62.300 -0.332 0.000 0.842 291 V CB 1.554 33.272 31.823 -0.176 0.000 0.996 291 V HN 0.614 nan 8.190 nan 0.000 0.426 292 L N 4.779 125.679 121.223 -0.538 0.000 2.344 292 L HA 0.711 5.050 4.340 -0.000 0.000 0.272 292 L C -0.580 176.017 176.870 -0.455 0.000 1.035 292 L CA -0.934 53.618 54.840 -0.479 0.000 0.807 292 L CB 2.021 43.718 42.059 -0.603 0.000 1.237 292 L HN 0.313 nan 8.230 nan 0.000 0.442 293 V N 2.429 122.086 119.914 -0.427 0.000 2.349 293 V HA 0.485 4.604 4.120 -0.000 0.000 0.284 293 V C -0.301 175.565 176.094 -0.380 0.000 1.014 293 V CA -0.469 61.548 62.300 -0.472 0.000 0.826 293 V CB 1.251 32.673 31.823 -0.668 0.000 1.009 293 V HN 0.731 nan 8.190 nan 0.000 0.431 294 Q N 2.068 121.781 119.800 -0.144 0.000 2.648 294 Q HA 0.490 4.830 4.340 -0.000 0.000 0.300 294 Q C -1.149 174.995 176.000 0.241 0.000 0.954 294 Q CA -0.510 55.354 55.803 0.101 0.000 0.757 294 Q CB 2.388 31.131 28.738 0.007 0.000 1.482 294 Q HN 0.640 nan 8.270 nan 0.000 0.437 295 C N 0.769 120.255 119.300 0.309 0.000 2.422 295 C HA 0.686 5.146 4.460 -0.000 0.000 0.364 295 C C 0.341 175.477 174.990 0.244 0.000 1.251 295 C CA -0.294 58.919 59.018 0.325 0.000 2.441 295 C CB -0.036 27.845 27.740 0.235 0.000 2.393 295 C HN 0.514 nan 8.230 nan 0.000 0.606 296 I N 2.000 122.632 120.570 0.102 0.000 2.478 296 I HA 0.292 4.461 4.170 -0.000 0.000 0.287 296 I C -0.597 175.445 176.117 -0.125 0.000 1.042 296 I CA -0.273 60.978 61.300 -0.081 0.000 1.067 296 I CB 1.100 38.756 38.000 -0.573 0.000 1.233 296 I HN 0.422 nan 8.210 nan 0.000 0.431 297 L N 7.849 128.950 121.223 -0.204 0.000 2.410 297 L HA 0.271 4.611 4.340 -0.000 0.000 0.273 297 L C -1.952 174.854 176.870 -0.107 0.000 1.152 297 L CA -1.505 53.140 54.840 -0.325 0.000 0.855 297 L CB 0.253 41.859 42.059 -0.754 0.000 1.129 297 L HN 0.280 nan 8.230 nan 0.000 0.463 298 P HA 0.047 nan 4.420 nan 0.000 0.275 298 P C 0.899 178.418 177.300 0.364 0.000 1.227 298 P CA -0.380 62.803 63.100 0.139 0.000 0.781 298 P CB 1.589 33.340 31.700 0.085 0.000 0.906 299 V N 2.715 122.805 119.914 0.292 0.000 2.380 299 V HA -0.219 3.901 4.120 -0.000 0.000 0.251 299 V C 0.817 177.039 176.094 0.213 0.000 1.063 299 V CA 1.872 64.309 62.300 0.229 0.000 1.055 299 V CB -1.216 30.652 31.823 0.075 0.000 0.657 299 V HN 0.640 nan 8.190 nan 0.000 0.455 300 N N 0.616 119.434 118.700 0.196 0.000 2.446 300 N HA 0.312 5.052 4.740 -0.000 0.000 0.265 300 N C -2.696 172.959 175.510 0.242 0.000 0.975 300 N CA -1.399 51.753 53.050 0.169 0.000 0.928 300 N CB 1.384 39.933 38.487 0.103 0.000 1.160 300 N HN 0.143 nan 8.380 nan 0.000 0.495 301 P HA -0.032 nan 4.420 nan 0.000 0.258 301 P C -0.575 176.872 177.300 0.244 0.000 1.563 301 P CA 0.408 63.719 63.100 0.353 0.000 1.241 301 P CB 0.201 31.854 31.700 -0.080 0.000 1.811 302 E N 1.589 121.931 120.200 0.238 0.000 2.371 302 E HA 0.308 4.658 4.350 -0.000 0.000 0.257 302 E C 0.489 177.168 176.600 0.132 0.000 1.134 302 E CA -0.558 55.926 56.400 0.140 0.000 0.919 302 E CB 0.814 30.572 29.700 0.097 0.000 1.025 302 E HN 0.291 nan 8.360 nan 0.000 0.438 303 A N 2.789 125.657 122.820 0.081 0.000 3.168 303 A HA 0.176 4.495 4.320 -0.000 0.000 0.260 303 A C -0.473 177.135 177.584 0.041 0.000 1.598 303 A CA -0.389 51.688 52.037 0.066 0.000 1.285 303 A CB -1.095 17.929 19.000 0.040 0.000 1.149 303 A HN 0.556 nan 8.150 nan 0.000 0.630 304 N N -1.534 117.189 118.700 0.039 0.000 2.416 304 N HA 0.560 5.300 4.740 -0.000 0.000 0.276 304 N C -2.825 172.676 175.510 -0.015 0.000 1.261 304 N CA -1.864 51.190 53.050 0.007 0.000 0.790 304 N CB 1.102 39.585 38.487 -0.006 0.000 1.554 304 N HN -0.182 nan 8.380 nan 0.000 0.481 305 P HA -0.228 nan 4.420 nan 0.000 0.216 305 P C 1.151 178.381 177.300 -0.116 0.000 1.150 305 P CA 1.522 64.577 63.100 -0.076 0.000 0.843 305 P CB 0.202 31.862 31.700 -0.068 0.000 0.787 306 S N -1.313 114.327 115.700 -0.101 0.000 2.356 306 S HA -0.160 4.310 4.470 -0.000 0.000 0.223 306 S C 2.252 176.770 174.600 -0.137 0.000 1.032 306 S CA 1.860 59.992 58.200 -0.112 0.000 1.005 306 S CB -1.125 62.009 63.200 -0.110 0.000 0.867 306 S HN 0.099 nan 8.310 nan 0.000 0.449 307 S N 0.495 116.128 115.700 -0.111 0.000 2.345 307 S HA -0.129 4.340 4.470 -0.000 0.000 0.220 307 S C 2.042 176.518 174.600 -0.207 0.000 1.031 307 S CA 1.631 59.733 58.200 -0.163 0.000 0.996 307 S CB -0.625 62.593 63.200 0.030 0.000 0.882 307 S HN 0.704 nan 8.310 nan 0.000 0.445 308 Q N 0.132 119.911 119.800 -0.034 0.000 2.096 308 Q HA -0.049 4.290 4.340 -0.000 0.000 0.204 308 Q C 2.394 178.215 176.000 -0.298 0.000 0.982 308 Q CA 1.431 57.241 55.803 0.012 0.000 0.850 308 Q CB -0.755 27.980 28.738 -0.005 0.000 0.901 308 Q HN 0.702 nan 8.270 nan 0.000 0.422 309 G N 0.195 108.750 108.800 -0.408 0.000 2.432 309 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.219 309 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.219 309 G C 1.467 176.226 174.900 -0.235 0.000 1.135 309 G CA 0.938 45.762 45.100 -0.461 0.000 0.767 309 G HN 0.232 nan 8.290 nan 0.000 0.550 310 V N 0.235 119.984 119.914 -0.274 0.000 2.548 310 V HA -0.022 4.098 4.120 -0.000 0.000 0.249 310 V C 2.354 178.321 176.094 -0.211 0.000 1.055 310 V CA 1.026 63.169 62.300 -0.263 0.000 1.065 310 V CB -0.607 30.968 31.823 -0.413 0.000 0.681 310 V HN 0.275 nan 8.190 nan 0.000 0.462 311 F N -0.129 119.849 119.950 0.046 0.000 2.407 311 F HA 0.012 4.539 4.527 -0.000 0.000 0.299 311 F C 2.292 178.203 175.800 0.186 0.000 1.097 311 F CA 0.768 58.824 58.000 0.092 0.000 1.422 311 F CB -1.066 37.987 39.000 0.089 0.000 1.067 311 F HN 0.280 nan 8.300 nan 0.000 0.539 312 H N -0.927 118.242 119.070 0.164 0.000 2.293 312 H HA -0.129 4.426 4.556 -0.000 0.000 0.300 312 H C 2.346 177.750 175.328 0.128 0.000 1.082 312 H CA 1.452 57.578 56.048 0.129 0.000 1.308 312 H CB -0.187 29.619 29.762 0.074 0.000 1.375 312 H HN 0.016 nan 8.280 nan 0.000 0.495 313 V N 1.012 121.060 119.914 0.224 0.000 2.282 313 V HA -0.283 3.837 4.120 -0.000 0.000 0.249 313 V C 1.998 178.177 176.094 0.142 0.000 1.057 313 V CA 2.255 64.642 62.300 0.146 0.000 1.032 313 V CB -0.473 31.408 31.823 0.096 0.000 0.645 313 V HN 0.457 nan 8.190 nan 0.000 0.447 314 D N -0.920 119.574 120.400 0.156 0.000 2.144 314 D HA -0.178 4.462 4.640 -0.000 0.000 0.199 314 D C 2.100 178.473 176.300 0.122 0.000 0.984 314 D CA 1.195 55.278 54.000 0.138 0.000 0.834 314 D CB -0.063 40.844 40.800 0.179 0.000 0.955 314 D HN 0.165 nan 8.370 nan 0.000 0.465 315 M N -0.125 119.581 119.600 0.178 0.000 2.254 315 M HA 0.005 4.485 4.480 -0.000 0.000 0.265 315 M C 2.162 178.531 176.300 0.115 0.000 1.066 315 M CA 0.801 56.212 55.300 0.184 0.000 1.123 315 M CB -0.586 32.181 32.600 0.279 0.000 1.388 315 M HN 0.218 nan 8.290 nan 0.000 0.425 316 I N -0.488 120.159 120.570 0.128 0.000 2.315 316 I HA -0.296 3.874 4.170 -0.000 0.000 0.248 316 I C 2.374 178.406 176.117 -0.142 0.000 1.117 316 I CA 0.783 62.085 61.300 0.003 0.000 1.404 316 I CB -0.229 37.872 38.000 0.169 0.000 1.071 316 I HN 0.217 nan 8.210 nan 0.000 0.419 317 M N -0.251 119.321 119.600 -0.046 0.000 2.117 317 M HA -0.181 4.299 4.480 -0.000 0.000 0.262 317 M C 2.430 178.650 176.300 -0.135 0.000 1.065 317 M CA 1.639 56.891 55.300 -0.081 0.000 1.114 317 M CB -1.056 31.512 32.600 -0.054 0.000 1.361 317 M HN 0.263 nan 8.290 nan 0.000 0.408 318 L N 0.814 121.966 121.223 -0.118 0.000 2.083 318 L HA -0.053 4.287 4.340 -0.000 0.000 0.209 318 L C 2.428 179.152 176.870 -0.243 0.000 1.083 318 L CA 2.040 56.804 54.840 -0.126 0.000 0.752 318 L CB -0.965 41.059 42.059 -0.059 0.000 0.899 318 L HN 0.213 nan 8.230 nan 0.000 0.433 319 A N -1.413 121.122 122.820 -0.475 0.000 1.898 319 A HA -0.151 4.168 4.320 -0.000 0.000 0.216 319 A C 1.850 179.078 177.584 -0.593 0.000 1.181 319 A CA 1.771 53.324 52.037 -0.806 0.000 0.620 319 A CB -0.604 17.404 19.000 -1.653 0.000 0.819 319 A HN 0.733 nan 8.150 nan 0.000 0.442 320 H N -2.509 116.460 119.070 -0.169 0.000 3.241 320 H HA 0.171 4.726 4.556 -0.000 0.000 0.260 320 H C 0.057 175.277 175.328 -0.179 0.000 1.084 320 H CA -0.346 55.623 56.048 -0.131 0.000 1.203 320 H CB -0.149 29.502 29.762 -0.185 0.000 1.524 320 H HN 0.366 nan 8.280 nan 0.000 0.521 321 N N 3.403 122.056 118.700 -0.078 0.000 2.498 321 N HA 0.090 4.830 4.740 -0.000 0.000 0.287 321 N C -2.520 172.916 175.510 -0.124 0.000 1.097 321 N CA -1.436 51.538 53.050 -0.127 0.000 0.973 321 N CB 2.195 40.588 38.487 -0.157 0.000 1.153 321 N HN -0.010 nan 8.380 nan 0.000 0.472 322 P HA 0.188 nan 4.420 nan 0.000 0.247 322 P C 0.474 177.695 177.300 -0.132 0.000 1.756 322 P CA 0.150 63.175 63.100 -0.124 0.000 1.117 322 P CB -0.059 31.557 31.700 -0.140 0.000 1.869 323 G N 2.577 111.322 108.800 -0.092 0.000 2.299 323 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.237 323 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.237 323 G C 0.581 175.441 174.900 -0.067 0.000 1.027 323 G CA -0.219 44.843 45.100 -0.063 0.000 0.619 323 G HN 0.792 nan 8.290 nan 0.000 0.513 324 G N 0.556 109.279 108.800 -0.128 0.000 2.484 324 G HA2 0.565 4.525 3.960 -0.000 0.000 0.235 324 G HA3 0.565 4.525 3.960 -0.000 0.000 0.235 324 G C 0.224 175.079 174.900 -0.075 0.000 1.282 324 G CA 0.973 45.993 45.100 -0.133 0.000 0.857 324 G HN 1.492 nan 8.290 nan 0.000 0.571 325 R N 0.132 120.620 120.500 -0.020 0.000 2.716 325 R HA 0.468 4.808 4.340 -0.000 0.000 0.271 325 R C -1.269 175.073 176.300 0.070 0.000 1.028 325 R CA -1.011 55.100 56.100 0.018 0.000 0.883 325 R CB 1.232 31.543 30.300 0.018 0.000 1.250 325 R HN 0.334 nan 8.270 nan 0.000 0.465 326 E N 1.596 121.834 120.200 0.064 0.000 2.319 326 E HA 0.396 4.746 4.350 -0.000 0.000 0.268 326 E C -0.482 176.073 176.600 -0.075 0.000 1.050 326 E CA -0.578 55.860 56.400 0.064 0.000 0.878 326 E CB 1.244 30.979 29.700 0.059 0.000 1.066 326 E HN 0.424 nan 8.360 nan 0.000 0.406 327 R N 0.909 121.313 120.500 -0.161 0.000 2.854 327 R HA 0.404 4.744 4.340 -0.000 0.000 0.271 327 R C -0.615 175.486 176.300 -0.332 0.000 0.996 327 R CA -0.841 55.049 56.100 -0.350 0.000 0.961 327 R CB 1.096 30.950 30.300 -0.743 0.000 1.182 327 R HN 0.403 nan 8.270 nan 0.000 0.479 328 Y N 0.782 120.998 120.300 -0.140 0.000 2.300 328 Y HA -0.025 4.525 4.550 -0.000 0.000 0.328 328 Y C 1.838 177.715 175.900 -0.038 0.000 1.270 328 Y CA 0.056 58.123 58.100 -0.055 0.000 1.352 328 Y CB 0.730 39.173 38.460 -0.028 0.000 1.286 328 Y HN 0.724 nan 8.280 nan 0.000 0.536 329 E N 1.829 122.140 120.200 0.184 0.000 2.130 329 E HA -0.277 4.073 4.350 -0.000 0.000 0.196 329 E C 1.932 178.646 176.600 0.190 0.000 0.998 329 E CA 1.770 58.288 56.400 0.196 0.000 0.806 329 E CB 0.031 29.750 29.700 0.031 0.000 0.738 329 E HN 0.773 nan 8.360 nan 0.000 0.459 330 R N 0.184 120.760 120.500 0.128 0.000 2.189 330 R HA -0.104 4.236 4.340 -0.000 0.000 0.223 330 R C 1.732 178.072 176.300 0.068 0.000 1.092 330 R CA 1.494 57.642 56.100 0.081 0.000 0.989 330 R CB -0.274 30.046 30.300 0.032 0.000 0.876 330 R HN 0.229 nan 8.270 nan 0.000 0.457 331 E N 0.528 120.756 120.200 0.047 0.000 2.107 331 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 331 E C 1.665 178.259 176.600 -0.011 0.000 0.982 331 E CA 1.070 57.453 56.400 -0.027 0.000 0.809 331 E CB -0.166 29.469 29.700 -0.109 0.000 0.756 331 E HN 0.357 nan 8.360 nan 0.000 0.459 332 F N 1.676 121.693 119.950 0.112 0.000 2.171 332 F HA -0.192 4.335 4.527 -0.000 0.000 0.300 332 F C 2.556 178.386 175.800 0.050 0.000 1.090 332 F CA 0.979 59.078 58.000 0.164 0.000 1.293 332 F CB -0.010 39.131 39.000 0.236 0.000 1.013 332 F HN -0.014 nan 8.300 nan 0.000 0.486 333 Q N 0.115 120.042 119.800 0.211 0.000 2.084 333 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 333 Q C 2.541 178.522 176.000 -0.031 0.000 0.978 333 Q CA 1.433 57.264 55.803 0.046 0.000 0.844 333 Q CB -0.464 28.316 28.738 0.071 0.000 0.898 333 Q HN 0.458 nan 8.270 nan 0.000 0.426 334 A N 0.924 123.750 122.820 0.010 0.000 1.902 334 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 334 A C 2.085 179.660 177.584 -0.014 0.000 1.181 334 A CA 1.073 53.107 52.037 -0.004 0.000 0.623 334 A CB -0.652 18.352 19.000 0.006 0.000 0.818 334 A HN 0.274 nan 8.150 nan 0.000 0.443 335 L N -0.883 120.344 121.223 0.007 0.000 2.046 335 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 335 L C 3.140 179.982 176.870 -0.046 0.000 1.077 335 L CA 1.062 55.920 54.840 0.031 0.000 0.747 335 L CB -0.581 41.558 42.059 0.133 0.000 0.896 335 L HN 0.452 nan 8.230 nan 0.000 0.432 336 A N 0.258 122.903 122.820 -0.291 0.000 1.858 336 A HA -0.234 4.086 4.320 -0.000 0.000 0.216 336 A C 2.348 179.889 177.584 -0.071 0.000 1.190 336 A CA 1.739 53.446 52.037 -0.550 0.000 0.617 336 A CB -0.518 17.532 19.000 -1.583 0.000 0.827 336 A HN 0.298 nan 8.150 nan 0.000 0.443 337 R N -0.843 119.605 120.500 -0.088 0.000 2.148 337 R HA -0.056 4.284 4.340 -0.000 0.000 0.227 337 R C 2.205 178.490 176.300 -0.026 0.000 1.103 337 R CA 0.952 57.042 56.100 -0.017 0.000 0.983 337 R CB -0.510 29.777 30.300 -0.021 0.000 0.874 337 R HN 0.541 nan 8.270 nan 0.000 0.451 338 G N -0.068 108.720 108.800 -0.021 0.000 2.471 338 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.219 338 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.219 338 G C 1.163 176.037 174.900 -0.043 0.000 1.125 338 G CA 0.640 45.725 45.100 -0.025 0.000 0.775 338 G HN 0.391 nan 8.290 nan 0.000 0.548 339 A N -0.820 121.993 122.820 -0.012 0.000 2.308 339 A HA 0.528 4.848 4.320 -0.000 0.000 0.217 339 A C 1.863 179.214 177.584 -0.388 0.000 1.216 339 A CA 1.134 53.134 52.037 -0.062 0.000 0.864 339 A CB -0.142 18.967 19.000 0.182 0.000 0.902 339 A HN 1.425 nan 8.150 nan 0.000 0.499 340 G N -1.602 106.991 108.800 -0.345 0.000 2.218 340 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 340 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 340 G C 0.106 174.847 174.900 -0.264 0.000 0.994 340 G CA -0.079 44.674 45.100 -0.578 0.000 0.637 340 G HN 0.307 nan 8.290 nan 0.000 0.505 341 F N 1.386 121.374 119.950 0.064 0.000 2.485 341 F HA 0.446 4.973 4.527 -0.000 0.000 0.327 341 F C 2.026 177.855 175.800 0.049 0.000 1.203 341 F CA 1.190 59.287 58.000 0.161 0.000 1.295 341 F CB 1.101 40.146 39.000 0.076 0.000 1.191 341 F HN 0.166 nan 8.300 nan 0.000 0.588 342 T N -1.834 112.887 114.554 0.278 0.000 3.182 342 T HA 0.309 4.659 4.350 -0.000 0.000 0.244 342 T C 0.901 175.682 174.700 0.136 0.000 0.981 342 T CA 0.321 62.512 62.100 0.152 0.000 1.182 342 T CB -0.614 68.328 68.868 0.123 0.000 1.043 342 T HN 0.650 nan 8.240 nan 0.000 0.424 343 G N 1.629 110.527 108.800 0.164 0.000 2.390 343 G HA2 0.543 4.503 3.960 -0.000 0.000 0.270 343 G HA3 0.543 4.503 3.960 -0.000 0.000 0.270 343 G C -1.104 173.899 174.900 0.172 0.000 1.211 343 G CA -0.356 44.829 45.100 0.141 0.000 0.842 343 G HN 0.467 nan 8.290 nan 0.000 0.519 344 V N 2.354 122.361 119.914 0.155 0.000 2.525 344 V HA 0.482 4.602 4.120 -0.000 0.000 0.299 344 V C -0.112 176.074 176.094 0.154 0.000 1.034 344 V CA -0.888 61.544 62.300 0.220 0.000 0.863 344 V CB 1.737 33.684 31.823 0.208 0.000 0.999 344 V HN 0.795 nan 8.190 nan 0.000 0.423 345 K N 2.875 123.353 120.400 0.130 0.000 2.463 345 K HA 0.637 4.956 4.320 -0.000 0.000 0.255 345 K C -0.831 175.817 176.600 0.080 0.000 0.942 345 K CA -0.244 56.101 56.287 0.097 0.000 0.814 345 K CB 1.666 34.216 32.500 0.084 0.000 1.122 345 K HN 0.664 nan 8.250 nan 0.000 0.425 346 S N 2.131 117.900 115.700 0.116 0.000 2.437 346 S HA 0.359 4.829 4.470 -0.000 0.000 0.305 346 S C -0.920 173.889 174.600 0.348 0.000 1.109 346 S CA -0.536 57.767 58.200 0.173 0.000 1.099 346 S CB 1.695 64.937 63.200 0.070 0.000 1.004 346 S HN 0.554 nan 8.310 nan 0.000 0.475 347 T N 3.370 118.124 114.554 0.333 0.000 2.809 347 T HA 0.305 4.655 4.350 -0.000 0.000 0.284 347 T C -0.875 173.866 174.700 0.068 0.000 0.992 347 T CA -0.391 61.845 62.100 0.227 0.000 0.957 347 T CB 0.473 69.406 68.868 0.108 0.000 0.942 347 T HN 0.530 nan 8.240 nan 0.000 0.439 348 Y N 4.755 124.793 120.300 -0.438 0.000 2.425 348 Y HA 0.225 4.775 4.550 -0.000 0.000 0.331 348 Y C 0.376 175.967 175.900 -0.514 0.000 1.157 348 Y CA -0.449 57.002 58.100 -1.082 0.000 1.372 348 Y CB 0.255 37.933 38.460 -1.304 0.000 1.253 348 Y HN 0.518 nan 8.280 nan 0.000 0.536 349 I N 4.671 124.549 120.570 -1.152 0.000 3.744 349 I HA 0.154 4.324 4.170 -0.000 0.000 0.240 349 I C -0.791 174.911 176.117 -0.692 0.000 1.096 349 I CA 0.294 61.175 61.300 -0.698 0.000 1.558 349 I CB -0.664 37.047 38.000 -0.482 0.000 1.531 349 I HN 0.593 nan 8.210 nan 0.000 0.459 350 Y N -0.417 119.290 120.300 -0.989 0.000 2.638 350 Y HA 0.520 5.070 4.550 -0.000 0.000 0.334 350 Y C -0.137 175.542 175.900 -0.369 0.000 1.182 350 Y CA -0.855 56.894 58.100 -0.585 0.000 1.102 350 Y CB 0.975 39.259 38.460 -0.293 0.000 1.343 350 Y HN 0.247 nan 8.280 nan 0.000 0.463 351 A N 4.053 126.523 122.820 -0.583 0.000 2.560 351 A HA -0.274 4.046 4.320 -0.000 0.000 0.299 351 A C 0.781 178.350 177.584 -0.024 0.000 1.484 351 A CA 1.496 53.363 52.037 -0.282 0.000 0.749 351 A CB -2.041 16.892 19.000 -0.111 0.000 1.072 351 A HN 1.393 nan 8.150 nan 0.000 0.426 352 N N -3.796 114.948 118.700 0.074 0.000 2.778 352 N HA -0.221 4.519 4.740 -0.000 0.000 0.249 352 N C 0.135 175.776 175.510 0.218 0.000 1.069 352 N CA 1.922 55.117 53.050 0.241 0.000 0.831 352 N CB -1.631 36.955 38.487 0.166 0.000 1.142 352 N HN 2.028 nan 8.380 nan 0.000 0.573 353 A N -0.463 122.336 122.820 -0.034 0.000 2.290 353 A HA 0.604 4.923 4.320 -0.000 0.000 0.310 353 A C -0.407 177.040 177.584 -0.228 0.000 1.202 353 A CA -0.301 51.744 52.037 0.014 0.000 0.837 353 A CB 0.489 19.481 19.000 -0.013 0.000 1.139 353 A HN 0.261 nan 8.150 nan 0.000 0.509 354 W N 0.887 122.101 121.300 -0.143 0.000 2.689 354 W HA 0.600 5.260 4.660 -0.000 0.000 0.340 354 W C 0.102 176.425 176.519 -0.327 0.000 1.060 354 W CA -0.273 56.962 57.345 -0.183 0.000 1.218 354 W CB 2.094 31.513 29.460 -0.069 0.000 1.410 354 W HN 0.841 nan 8.180 nan 0.000 0.528 355 A N 4.041 126.763 122.820 -0.163 0.000 2.253 355 A HA 0.729 5.049 4.320 -0.000 0.000 0.316 355 A C -0.875 176.541 177.584 -0.280 0.000 1.327 355 A CA -0.526 51.248 52.037 -0.438 0.000 0.917 355 A CB -0.151 18.314 19.000 -0.890 0.000 1.162 355 A HN 0.602 nan 8.150 nan 0.000 0.535 356 I N 2.709 123.052 120.570 -0.377 0.000 2.355 356 I HA 0.251 4.421 4.170 -0.000 0.000 0.288 356 I C -0.170 175.625 176.117 -0.537 0.000 0.999 356 I CA -0.175 60.891 61.300 -0.389 0.000 1.163 356 I CB 1.577 39.251 38.000 -0.544 0.000 1.316 356 I HN 0.655 nan 8.210 nan 0.000 0.454 357 E N 6.063 126.080 120.200 -0.304 0.000 2.175 357 E HA 0.461 4.811 4.350 -0.000 0.000 0.278 357 E C -1.392 175.159 176.600 -0.082 0.000 0.969 357 E CA -0.642 55.605 56.400 -0.255 0.000 0.796 357 E CB 1.681 31.340 29.700 -0.069 0.000 1.104 357 E HN 0.252 nan 8.360 nan 0.000 0.395 358 F N 1.714 121.522 119.950 -0.235 0.000 2.426 358 F HA 0.289 4.816 4.527 -0.000 0.000 0.348 358 F C 0.706 176.421 175.800 -0.142 0.000 1.124 358 F CA -1.119 56.688 58.000 -0.321 0.000 1.008 358 F CB 1.425 39.885 39.000 -0.900 0.000 1.139 358 F HN 0.256 nan 8.300 nan 0.000 0.452 359 T N 0.024 114.755 114.554 0.295 0.000 2.940 359 T HA 0.672 5.022 4.350 -0.000 0.000 0.288 359 T C -0.204 174.753 174.700 0.428 0.000 1.045 359 T CA -1.132 61.155 62.100 0.312 0.000 1.018 359 T CB 2.381 71.350 68.868 0.168 0.000 1.151 359 T HN 0.380 nan 8.240 nan 0.000 0.529 360 K N 0.000 120.560 120.400 0.266 0.000 2.780 360 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 360 K CA 0.000 56.397 56.287 0.183 0.000 0.838 360 K CB 0.000 32.499 32.500 -0.002 0.000 1.064 360 K HN 0.000 nan 8.250 nan 0.000 0.543