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 3n1c_1_D DATA FIRST_RESID 1 DATA SEQUENCE MVRIYTLTLA PSLDSATITP QIYPEGKLRC TAPVFEPGGG GINVARAIAH DATA SEQUENCE LGGSATAIFP AGGATGEHLV SLLADENVPV ATVEAKDWTR QNLHVHVEAS DATA SEQUENCE GEQYRFVMPG AALNEDEFRQ LEEQVLEIES GAILVISGSL PPGVKLEKLT DATA SEQUENCE QLISAAQKQG IRCIVDSSGE ALSAALAIGN IELVKPNQKE LSALVNRELT DATA SEQUENCE QPDDVRKAAQ EIVNSGKAKR VVVSLGPQGA LGVDSENCIQ VVPPPVKSQS DATA SEQUENCE TVGAGDSMVG AMTLKLAENA SLEEMVRFGV AAGSAATLNQ GTRLCSHDDT DATA SEQUENCE QKIYAYLSR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.298 176.300 -0.003 0.000 1.140 1 M CA 0.000 55.294 55.300 -0.009 0.000 0.988 1 M CB 0.000 32.590 32.600 -0.017 0.000 1.302 2 V N 1.526 121.443 119.914 0.004 0.000 3.083 2 V HA 0.666 4.785 4.120 -0.000 0.000 0.306 2 V C 0.227 176.328 176.094 0.012 0.000 1.077 2 V CA -0.597 61.713 62.300 0.017 0.000 1.073 2 V CB 1.066 32.906 31.823 0.030 0.000 1.081 2 V HN 1.039 nan 8.190 nan 0.000 0.474 3 R N 1.609 122.126 120.500 0.028 0.000 2.539 3 R HA 0.592 4.931 4.340 -0.000 0.000 0.275 3 R C -0.680 175.615 176.300 -0.008 0.000 1.077 3 R CA -0.274 55.813 56.100 -0.021 0.000 1.097 3 R CB 0.709 31.005 30.300 -0.007 0.000 1.018 3 R HN 0.703 nan 8.270 nan 0.000 0.483 4 I N 2.234 122.721 120.570 -0.138 0.000 2.474 4 I HA 0.346 4.516 4.170 -0.000 0.000 0.294 4 I C -0.926 175.047 176.117 -0.239 0.000 1.005 4 I CA -0.828 60.431 61.300 -0.067 0.000 1.113 4 I CB 1.289 39.265 38.000 -0.040 0.000 1.289 4 I HN 0.404 nan 8.210 nan 0.000 0.436 5 Y N 2.241 122.551 120.300 0.017 0.000 2.570 5 Y HA 0.646 5.196 4.550 -0.000 0.000 0.345 5 Y C 0.334 176.250 175.900 0.027 0.000 1.014 5 Y CA -0.883 57.230 58.100 0.022 0.000 1.063 5 Y CB 2.367 40.836 38.460 0.015 0.000 1.272 5 Y HN 0.537 nan 8.280 nan 0.000 0.477 6 T N -0.106 114.565 114.554 0.196 0.000 2.907 6 T HA 0.693 5.043 4.350 -0.000 0.000 0.292 6 T C -1.776 173.011 174.700 0.144 0.000 1.043 6 T CA -0.786 61.394 62.100 0.134 0.000 1.003 6 T CB 1.719 70.638 68.868 0.084 0.000 1.084 6 T HN 0.483 nan 8.240 nan 0.000 0.483 7 L N 2.160 123.449 121.223 0.109 0.000 2.325 7 L HA 0.691 5.031 4.340 -0.000 0.000 0.281 7 L C -0.580 176.353 176.870 0.104 0.000 1.004 7 L CA -0.099 54.806 54.840 0.108 0.000 0.823 7 L CB 1.925 44.027 42.059 0.072 0.000 1.236 7 L HN 0.958 nan 8.230 nan 0.000 0.415 8 T N 6.487 121.123 114.554 0.136 0.000 2.977 8 T HA 0.330 4.680 4.350 -0.000 0.000 0.346 8 T C 1.378 176.160 174.700 0.137 0.000 1.140 8 T CA -0.308 61.854 62.100 0.103 0.000 1.040 8 T CB 0.597 69.488 68.868 0.039 0.000 1.046 8 T HN 0.545 nan 8.240 nan 0.000 0.494 9 L N 1.281 122.576 121.223 0.121 0.000 2.291 9 L HA 0.175 4.514 4.340 -0.000 0.000 0.214 9 L C 1.509 178.454 176.870 0.125 0.000 1.120 9 L CA 0.575 55.500 54.840 0.142 0.000 0.799 9 L CB -0.006 42.147 42.059 0.156 0.000 0.925 9 L HN 0.619 nan 8.230 nan 0.000 0.446 10 A N -0.126 122.750 122.820 0.094 0.000 3.030 10 A HA 0.530 4.850 4.320 -0.000 0.000 0.335 10 A C -2.491 175.123 177.584 0.050 0.000 1.089 10 A CA -1.147 50.937 52.037 0.077 0.000 0.807 10 A CB 0.012 19.050 19.000 0.064 0.000 1.099 10 A HN -0.109 nan 8.150 nan 0.000 0.474 11 P HA 0.352 nan 4.420 nan 0.000 0.273 11 P C 0.056 177.353 177.300 -0.005 0.000 1.250 11 P CA -0.071 63.007 63.100 -0.037 0.000 0.793 11 P CB 0.923 32.575 31.700 -0.079 0.000 1.011 12 S N 0.234 115.915 115.700 -0.032 0.000 2.546 12 S HA 0.453 4.923 4.470 -0.000 0.000 0.272 12 S C -1.496 173.109 174.600 0.008 0.000 1.140 12 S CA -0.684 57.527 58.200 0.019 0.000 0.920 12 S CB 0.287 63.517 63.200 0.049 0.000 1.083 12 S HN 0.284 nan 8.310 nan 0.000 0.476 13 L N 4.574 125.823 121.223 0.044 0.000 2.312 13 L HA 0.515 4.855 4.340 -0.000 0.000 0.287 13 L C -0.838 176.104 176.870 0.120 0.000 1.091 13 L CA 0.117 54.986 54.840 0.049 0.000 0.846 13 L CB 0.087 42.170 42.059 0.040 0.000 1.219 13 L HN 0.553 nan 8.230 nan 0.000 0.439 14 D N 2.599 123.064 120.400 0.107 0.000 2.304 14 D HA 0.329 4.969 4.640 -0.000 0.000 0.250 14 D C -0.259 176.109 176.300 0.112 0.000 1.107 14 D CA 0.219 54.313 54.000 0.158 0.000 0.885 14 D CB 1.279 42.150 40.800 0.119 0.000 1.192 14 D HN 0.589 nan 8.370 nan 0.000 0.436 15 S N 0.058 115.811 115.700 0.089 0.000 2.498 15 S HA 0.747 5.216 4.470 -0.000 0.000 0.317 15 S C -0.396 174.201 174.600 -0.005 0.000 1.090 15 S CA -1.053 57.068 58.200 -0.133 0.000 1.089 15 S CB 1.773 64.805 63.200 -0.280 0.000 0.997 15 S HN 0.442 nan 8.310 nan 0.000 0.470 16 A N 2.456 125.239 122.820 -0.062 0.000 2.292 16 A HA 0.830 5.149 4.320 -0.000 0.000 0.319 16 A C 0.139 177.712 177.584 -0.018 0.000 1.206 16 A CA -0.634 51.412 52.037 0.014 0.000 0.835 16 A CB 1.283 20.269 19.000 -0.022 0.000 1.164 16 A HN 0.855 nan 8.150 nan 0.000 0.505 17 T N 1.511 116.089 114.554 0.040 0.000 2.887 17 T HA 0.717 5.067 4.350 -0.000 0.000 0.292 17 T C -0.995 173.754 174.700 0.083 0.000 1.087 17 T CA -0.400 61.717 62.100 0.028 0.000 1.009 17 T CB 0.647 69.517 68.868 0.004 0.000 1.203 17 T HN 0.491 nan 8.240 nan 0.000 0.518 18 I N 1.584 122.196 120.570 0.070 0.000 2.608 18 I HA 0.573 4.742 4.170 -0.000 0.000 0.295 18 I C -0.338 175.811 176.117 0.052 0.000 1.049 18 I CA -0.770 60.593 61.300 0.106 0.000 1.063 18 I CB 2.470 40.546 38.000 0.126 0.000 1.248 18 I HN 0.525 nan 8.210 nan 0.000 0.424 19 T N 5.058 119.631 114.554 0.032 0.000 2.956 19 T HA 0.374 4.724 4.350 -0.000 0.000 0.312 19 T C -2.241 172.452 174.700 -0.012 0.000 1.151 19 T CA -1.588 60.509 62.100 -0.004 0.000 1.024 19 T CB 2.032 70.877 68.868 -0.039 0.000 1.140 19 T HN 0.204 nan 8.240 nan 0.000 0.473 20 P HA -0.088 nan 4.420 nan 0.000 0.215 20 P C 0.054 177.362 177.300 0.013 0.000 1.163 20 P CA 1.369 64.478 63.100 0.016 0.000 0.894 20 P CB 0.169 31.891 31.700 0.037 0.000 0.791 21 Q N -2.260 117.554 119.800 0.023 0.000 2.626 21 Q HA 0.610 4.950 4.340 -0.000 0.000 0.300 21 Q C -1.307 174.667 176.000 -0.044 0.000 0.988 21 Q CA -1.052 54.776 55.803 0.042 0.000 0.761 21 Q CB 1.567 30.392 28.738 0.144 0.000 1.494 21 Q HN -0.043 nan 8.270 nan 0.000 0.439 22 I N 1.512 122.067 120.570 -0.025 0.000 2.436 22 I HA 0.635 4.805 4.170 -0.000 0.000 0.289 22 I C -1.903 174.198 176.117 -0.025 0.000 1.010 22 I CA -0.709 60.483 61.300 -0.179 0.000 1.098 22 I CB 1.308 39.136 38.000 -0.288 0.000 1.266 22 I HN 0.751 nan 8.210 nan 0.000 0.434 23 Y N 5.446 125.696 120.300 -0.083 0.000 2.624 23 Y HA 0.761 5.311 4.550 0.000 0.000 0.334 23 Y C -2.980 172.886 175.900 -0.058 0.000 1.155 23 Y CA -2.276 55.790 58.100 -0.058 0.000 1.046 23 Y CB -0.034 38.403 38.460 -0.038 0.000 1.316 23 Y HN 0.301 nan 8.280 nan 0.000 0.457 24 P HA 0.260 nan 4.420 nan 0.000 0.274 24 P C -0.160 177.207 177.300 0.111 0.000 1.237 24 P CA 0.249 63.384 63.100 0.058 0.000 0.793 24 P CB 1.315 33.046 31.700 0.052 0.000 0.977 25 E N -1.653 118.567 120.200 0.034 0.000 4.625 25 E HA -0.170 4.179 4.350 -0.000 0.000 0.165 25 E C 0.934 177.560 176.600 0.042 0.000 1.173 25 E CA 2.140 58.564 56.400 0.040 0.000 2.452 25 E CB -2.152 27.584 29.700 0.061 0.000 1.745 25 E HN 0.741 nan 8.360 nan 0.000 0.486 26 G N 1.681 110.555 108.800 0.123 0.000 2.539 26 G HA2 0.343 4.303 3.960 -0.000 0.000 0.258 26 G HA3 0.343 4.303 3.960 -0.000 0.000 0.258 26 G C -0.232 174.650 174.900 -0.029 0.000 1.202 26 G CA -0.251 44.927 45.100 0.131 0.000 0.851 26 G HN -0.019 nan 8.290 nan 0.000 0.556 27 K N 0.710 121.101 120.400 -0.014 0.000 2.378 27 K HA 0.142 4.462 4.320 -0.000 0.000 0.288 27 K C -0.202 176.331 176.600 -0.111 0.000 1.057 27 K CA 0.128 56.377 56.287 -0.065 0.000 0.971 27 K CB 0.742 33.224 32.500 -0.030 0.000 0.975 27 K HN 0.233 nan 8.250 nan 0.000 0.475 28 L N 4.951 126.061 121.223 -0.189 0.000 2.268 28 L HA 0.234 4.573 4.340 -0.000 0.000 0.289 28 L C 0.520 177.322 176.870 -0.114 0.000 1.064 28 L CA -0.740 53.972 54.840 -0.214 0.000 0.824 28 L CB 0.304 42.181 42.059 -0.304 0.000 1.202 28 L HN 0.302 nan 8.230 nan 0.000 0.433 29 R N 2.302 122.762 120.500 -0.067 0.000 2.399 29 R HA 0.192 4.532 4.340 -0.000 0.000 0.324 29 R C -0.642 175.639 176.300 -0.032 0.000 1.030 29 R CA -0.096 55.982 56.100 -0.036 0.000 0.984 29 R CB 0.348 30.641 30.300 -0.011 0.000 0.961 29 R HN 0.588 nan 8.270 nan 0.000 0.433 30 C N 1.915 121.197 119.300 -0.030 0.000 2.397 30 C HA 0.406 4.866 4.460 -0.000 0.000 0.343 30 C C 1.037 176.022 174.990 -0.008 0.000 1.188 30 C CA -0.706 58.300 59.018 -0.019 0.000 1.992 30 C CB 1.580 29.304 27.740 -0.027 0.000 2.358 30 C HN 0.811 nan 8.230 nan 0.000 0.518 31 T N 0.377 114.931 114.554 0.001 0.000 2.860 31 T HA 0.499 4.848 4.350 -0.000 0.000 0.299 31 T C 0.310 175.004 174.700 -0.010 0.000 1.045 31 T CA -0.336 61.766 62.100 0.002 0.000 1.071 31 T CB 0.563 69.438 68.868 0.011 0.000 0.985 31 T HN 1.101 nan 8.240 nan 0.000 0.537 32 A N 3.251 126.068 122.820 -0.005 0.000 2.580 32 A HA 0.377 4.697 4.320 -0.000 0.000 0.244 32 A C -1.931 175.622 177.584 -0.052 0.000 1.045 32 A CA -0.920 51.110 52.037 -0.010 0.000 0.761 32 A CB -1.169 17.840 19.000 0.016 0.000 0.962 32 A HN 0.741 nan 8.150 nan 0.000 0.512 33 P HA 0.273 nan 4.420 nan 0.000 0.271 33 P C -0.719 176.383 177.300 -0.330 0.000 1.216 33 P CA -0.170 62.768 63.100 -0.270 0.000 0.776 33 P CB 0.766 32.188 31.700 -0.463 0.000 0.881 34 V N 4.629 124.384 119.914 -0.264 0.000 2.370 34 V HA 0.271 4.391 4.120 -0.000 0.000 0.279 34 V C 0.043 175.998 176.094 -0.232 0.000 1.029 34 V CA -0.302 61.900 62.300 -0.164 0.000 0.870 34 V CB -0.144 31.643 31.823 -0.059 0.000 0.984 34 V HN 0.373 nan 8.190 nan 0.000 0.451 35 F N 3.488 123.442 119.950 0.006 0.000 2.412 35 F HA 0.481 5.008 4.527 -0.000 0.000 0.348 35 F C 0.874 176.630 175.800 -0.073 0.000 1.102 35 F CA -0.017 57.942 58.000 -0.070 0.000 1.196 35 F CB 0.828 39.711 39.000 -0.195 0.000 1.144 35 F HN 0.463 nan 8.300 nan 0.000 0.541 36 E N 3.605 123.854 120.200 0.082 0.000 2.331 36 E HA 0.296 4.645 4.350 -0.000 0.000 0.275 36 E C -2.819 173.775 176.600 -0.009 0.000 0.895 36 E CA -2.413 54.000 56.400 0.022 0.000 0.753 36 E CB 2.113 31.803 29.700 -0.017 0.000 1.216 36 E HN 0.167 nan 8.360 nan 0.000 0.434 37 P HA 0.133 nan 4.420 nan 0.000 0.271 37 P C -0.389 176.858 177.300 -0.089 0.000 1.226 37 P CA 0.134 63.190 63.100 -0.075 0.000 0.765 37 P CB 0.767 32.418 31.700 -0.081 0.000 0.835 38 G N 1.206 109.950 108.800 -0.093 0.000 3.042 38 G HA2 0.762 4.722 3.960 -0.000 0.000 0.278 38 G HA3 0.762 4.722 3.960 -0.000 0.000 0.278 38 G C -0.507 174.338 174.900 -0.092 0.000 1.371 38 G CA -0.758 44.301 45.100 -0.070 0.000 1.009 38 G HN 0.744 nan 8.290 nan 0.000 0.523 39 G N -2.263 106.507 108.800 -0.050 0.000 2.697 39 G HA2 0.400 4.360 3.960 -0.000 0.000 0.686 39 G HA3 0.400 4.360 3.960 -0.000 0.000 0.686 39 G C 0.942 175.811 174.900 -0.051 0.000 1.179 39 G CA 0.191 45.263 45.100 -0.047 0.000 0.765 39 G HN 1.731 nan 8.290 nan 0.000 0.649 40 G N 0.442 109.228 108.800 -0.024 0.000 2.511 40 G HA2 0.184 4.144 3.960 -0.000 0.000 0.216 40 G HA3 0.184 4.144 3.960 -0.000 0.000 0.216 40 G C 2.042 176.927 174.900 -0.026 0.000 1.218 40 G CA 2.143 47.231 45.100 -0.020 0.000 0.788 40 G HN 2.011 nan 8.290 nan 0.000 0.560 41 G N 0.616 109.411 108.800 -0.009 0.000 2.450 41 G HA2 -0.143 3.816 3.960 -0.000 0.000 0.220 41 G HA3 -0.143 3.816 3.960 -0.000 0.000 0.220 41 G C 1.798 176.684 174.900 -0.024 0.000 1.130 41 G CA 0.813 45.916 45.100 0.005 0.000 0.760 41 G HN 0.458 nan 8.290 nan 0.000 0.557 42 I N 0.820 121.343 120.570 -0.078 0.000 2.252 42 I HA -0.142 4.028 4.170 -0.000 0.000 0.245 42 I C 2.466 178.517 176.117 -0.110 0.000 1.102 42 I CA 0.714 61.934 61.300 -0.134 0.000 1.385 42 I CB -0.178 37.658 38.000 -0.273 0.000 1.064 42 I HN 0.056 nan 8.210 nan 0.000 0.414 43 N N 0.559 119.197 118.700 -0.104 0.000 2.166 43 N HA -0.133 4.606 4.740 -0.000 0.000 0.186 43 N C 1.940 177.382 175.510 -0.114 0.000 1.019 43 N CA 1.093 54.074 53.050 -0.114 0.000 0.856 43 N CB -0.524 37.904 38.487 -0.099 0.000 0.993 43 N HN 0.151 nan 8.380 nan 0.000 0.426 44 V N 1.589 121.458 119.914 -0.075 0.000 2.287 44 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 44 V C 2.375 178.433 176.094 -0.060 0.000 1.053 44 V CA 1.925 64.190 62.300 -0.058 0.000 1.027 44 V CB -0.912 30.896 31.823 -0.024 0.000 0.646 44 V HN 0.322 nan 8.190 nan 0.000 0.447 45 A N -0.331 122.460 122.820 -0.048 0.000 1.969 45 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 45 A C 2.342 179.890 177.584 -0.059 0.000 1.169 45 A CA 1.554 53.571 52.037 -0.034 0.000 0.635 45 A CB -0.414 18.583 19.000 -0.004 0.000 0.810 45 A HN 0.536 nan 8.150 nan 0.000 0.445 46 R N -0.420 120.012 120.500 -0.113 0.000 2.075 46 R HA 0.001 4.340 4.340 -0.000 0.000 0.232 46 R C 2.495 178.564 176.300 -0.386 0.000 1.126 46 R CA 1.110 57.095 56.100 -0.191 0.000 0.963 46 R CB -0.457 29.705 30.300 -0.231 0.000 0.858 46 R HN 0.481 nan 8.270 nan 0.000 0.435 47 A N 1.422 124.037 122.820 -0.341 0.000 1.883 47 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 47 A C 2.168 179.694 177.584 -0.097 0.000 1.186 47 A CA 1.315 53.178 52.037 -0.291 0.000 0.624 47 A CB -0.539 18.349 19.000 -0.186 0.000 0.822 47 A HN 0.186 nan 8.150 nan 0.000 0.444 48 I N -0.283 120.257 120.570 -0.049 0.000 2.286 48 I HA -0.298 3.872 4.170 -0.000 0.000 0.248 48 I C 2.939 179.091 176.117 0.059 0.000 1.115 48 I CA 1.025 62.337 61.300 0.020 0.000 1.392 48 I CB -0.260 37.745 38.000 0.009 0.000 1.065 48 I HN 0.376 nan 8.210 nan 0.000 0.418 49 A N -0.007 122.848 122.820 0.057 0.000 1.873 49 A HA -0.239 4.081 4.320 -0.000 0.000 0.215 49 A C 2.143 179.845 177.584 0.197 0.000 1.186 49 A CA 1.549 53.653 52.037 0.112 0.000 0.616 49 A CB -1.169 17.905 19.000 0.122 0.000 0.823 49 A HN 0.477 nan 8.150 nan 0.000 0.442 50 H N -0.583 118.501 119.070 0.023 0.000 2.426 50 H HA -0.059 4.496 4.556 -0.000 0.000 0.298 50 H C 1.343 176.730 175.328 0.099 0.000 1.107 50 H CA 1.221 57.292 56.048 0.039 0.000 1.298 50 H CB -0.120 29.652 29.762 0.017 0.000 1.377 50 H HN 0.367 nan 8.280 nan 0.000 0.519 51 L N -0.203 121.163 121.223 0.238 0.000 2.612 51 L HA 0.116 4.456 4.340 -0.000 0.000 0.230 51 L C 1.457 178.502 176.870 0.291 0.000 1.140 51 L CA 0.431 55.435 54.840 0.272 0.000 0.896 51 L CB 0.447 42.627 42.059 0.203 0.000 1.065 51 L HN 0.467 nan 8.230 nan 0.000 0.447 52 G N -0.342 108.563 108.800 0.174 0.000 2.157 52 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.239 52 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.239 52 G C 0.423 175.362 174.900 0.064 0.000 0.982 52 G CA -0.176 44.979 45.100 0.091 0.000 0.650 52 G HN 0.512 nan 8.290 nan 0.000 0.527 53 G N -0.982 107.861 108.800 0.071 0.000 2.642 53 G HA2 0.766 4.726 3.960 -0.000 0.000 0.291 53 G HA3 0.766 4.726 3.960 -0.000 0.000 0.291 53 G C -0.282 174.628 174.900 0.017 0.000 1.345 53 G CA 0.440 45.561 45.100 0.036 0.000 1.043 53 G HN 1.254 nan 8.290 nan 0.000 0.528 54 S N -1.785 113.909 115.700 -0.010 0.000 2.548 54 S HA 0.725 5.195 4.470 -0.000 0.000 0.276 54 S C -0.753 173.808 174.600 -0.065 0.000 1.129 54 S CA -0.019 58.163 58.200 -0.030 0.000 0.931 54 S CB 1.375 64.550 63.200 -0.041 0.000 1.068 54 S HN 1.622 nan 8.310 nan 0.000 0.480 55 A N 2.920 125.699 122.820 -0.068 0.000 2.455 55 A HA 0.715 5.035 4.320 -0.000 0.000 0.300 55 A C -0.510 177.015 177.584 -0.099 0.000 1.040 55 A CA -0.638 51.336 52.037 -0.106 0.000 0.697 55 A CB 1.604 20.574 19.000 -0.049 0.000 1.265 55 A HN 0.643 nan 8.150 nan 0.000 0.407 56 T N 2.305 116.746 114.554 -0.188 0.000 2.743 56 T HA 0.530 4.880 4.350 -0.000 0.000 0.293 56 T C 0.380 175.131 174.700 0.084 0.000 0.945 56 T CA 0.382 62.438 62.100 -0.073 0.000 1.030 56 T CB 0.910 69.691 68.868 -0.145 0.000 0.912 56 T HN 1.112 nan 8.240 nan 0.000 0.483 57 A N 4.935 127.844 122.820 0.149 0.000 2.269 57 A HA 0.587 4.907 4.320 -0.000 0.000 0.302 57 A C 0.107 177.894 177.584 0.338 0.000 1.266 57 A CA -0.593 51.599 52.037 0.259 0.000 0.894 57 A CB -0.199 18.968 19.000 0.279 0.000 1.147 57 A HN 0.890 nan 8.150 nan 0.000 0.537 58 I N 3.691 124.427 120.570 0.276 0.000 2.331 58 I HA 0.588 4.758 4.170 -0.000 0.000 0.292 58 I C -0.453 175.826 176.117 0.270 0.000 0.998 58 I CA -0.108 61.279 61.300 0.145 0.000 1.267 58 I CB 0.584 38.635 38.000 0.084 0.000 1.386 58 I HN 0.723 nan 8.210 nan 0.000 0.476 59 F N 5.540 125.499 119.950 0.014 0.000 2.770 59 F HA 0.635 5.162 4.527 -0.000 0.000 0.313 59 F C -3.283 172.523 175.800 0.009 0.000 1.154 59 F CA -2.755 55.254 58.000 0.015 0.000 0.923 59 F CB 0.673 39.685 39.000 0.021 0.000 1.301 59 F HN 0.060 nan 8.300 nan 0.000 0.449 60 P HA 0.548 nan 4.420 nan 0.000 0.285 60 P C -1.269 176.152 177.300 0.202 0.000 1.259 60 P CA -0.206 62.952 63.100 0.097 0.000 0.794 60 P CB 1.539 33.309 31.700 0.117 0.000 0.940 61 A N 2.663 125.532 122.820 0.081 0.000 2.355 61 A HA 0.819 5.138 4.320 -0.000 0.000 0.317 61 A C -0.224 177.363 177.584 0.006 0.000 1.094 61 A CA -0.620 51.482 52.037 0.108 0.000 0.764 61 A CB 1.380 20.444 19.000 0.106 0.000 1.230 61 A HN 0.571 nan 8.150 nan 0.000 0.448 62 G N 0.246 109.028 108.800 -0.031 0.000 2.620 62 G HA2 0.754 4.714 3.960 -0.000 0.000 0.301 62 G HA3 0.754 4.714 3.960 -0.000 0.000 0.301 62 G C 0.227 174.868 174.900 -0.433 0.000 1.347 62 G CA 0.272 45.296 45.100 -0.128 0.000 0.971 62 G HN 2.257 nan 8.290 nan 0.000 0.488 63 G N -0.026 108.335 108.800 -0.733 0.000 2.752 63 G HA2 0.232 4.191 3.960 -0.000 0.000 0.234 63 G HA3 0.232 4.191 3.960 -0.000 0.000 0.234 63 G C 1.349 175.521 174.900 -1.215 0.000 1.367 63 G CA 0.574 44.642 45.100 -1.720 0.000 0.879 63 G HN 1.959 nan 8.290 nan 0.000 0.563 64 A N -1.473 120.392 122.820 -1.591 0.000 1.930 64 A HA 0.131 4.451 4.320 -0.000 0.000 0.217 64 A C 2.771 180.147 177.584 -0.348 0.000 1.175 64 A CA 3.353 55.003 52.037 -0.644 0.000 0.627 64 A CB -1.155 17.657 19.000 -0.314 0.000 0.815 64 A HN 2.262 nan 8.150 nan 0.000 0.443 65 T N -2.230 112.130 114.554 -0.324 0.000 2.746 65 T HA -0.028 4.322 4.350 -0.000 0.000 0.267 65 T C 1.951 176.618 174.700 -0.054 0.000 1.039 65 T CA 1.567 63.646 62.100 -0.036 0.000 1.142 65 T CB -1.091 67.854 68.868 0.128 0.000 0.866 65 T HN 0.419 nan 8.240 nan 0.000 0.444 66 G N 1.833 110.545 108.800 -0.147 0.000 2.459 66 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.217 66 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.217 66 G C 1.508 176.394 174.900 -0.023 0.000 1.183 66 G CA 0.940 46.003 45.100 -0.061 0.000 0.776 66 G HN 0.663 nan 8.290 nan 0.000 0.552 67 E N -0.490 119.651 120.200 -0.099 0.000 2.110 67 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 67 E C 2.302 178.910 176.600 0.014 0.000 0.988 67 E CA 0.929 57.295 56.400 -0.057 0.000 0.804 67 E CB -0.244 29.386 29.700 -0.116 0.000 0.745 67 E HN 0.446 nan 8.360 nan 0.000 0.458 68 H N 1.115 120.113 119.070 -0.119 0.000 2.321 68 H HA -0.113 4.442 4.556 -0.000 0.000 0.300 68 H C 2.128 177.418 175.328 -0.064 0.000 1.087 68 H CA 1.351 57.324 56.048 -0.124 0.000 1.319 68 H CB -0.301 29.335 29.762 -0.211 0.000 1.379 68 H HN 0.159 nan 8.280 nan 0.000 0.501 69 L N 0.200 121.468 121.223 0.076 0.000 1.989 69 L HA -0.143 4.196 4.340 -0.000 0.000 0.211 69 L C 2.535 179.456 176.870 0.085 0.000 1.071 69 L CA 1.603 56.456 54.840 0.022 0.000 0.749 69 L CB -0.991 41.068 42.059 0.000 0.000 0.890 69 L HN 0.102 nan 8.230 nan 0.000 0.431 70 V N -0.772 119.226 119.914 0.141 0.000 2.332 70 V HA -0.298 3.821 4.120 -0.000 0.000 0.248 70 V C 2.799 178.957 176.094 0.108 0.000 1.055 70 V CA 1.919 64.322 62.300 0.170 0.000 1.038 70 V CB -0.982 30.921 31.823 0.133 0.000 0.651 70 V HN 0.675 nan 8.190 nan 0.000 0.450 71 S N -0.557 115.195 115.700 0.087 0.000 2.382 71 S HA -0.121 4.349 4.470 -0.000 0.000 0.228 71 S C 1.903 176.553 174.600 0.083 0.000 1.027 71 S CA 1.501 59.741 58.200 0.067 0.000 0.991 71 S CB -0.294 62.931 63.200 0.041 0.000 0.823 71 S HN 0.528 nan 8.310 nan 0.000 0.469 72 L N 0.765 122.054 121.223 0.110 0.000 2.093 72 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 72 L C 2.346 179.256 176.870 0.067 0.000 1.085 72 L CA 0.904 55.800 54.840 0.092 0.000 0.755 72 L CB -0.422 41.684 42.059 0.078 0.000 0.904 72 L HN 0.333 nan 8.230 nan 0.000 0.435 73 L N -0.622 120.641 121.223 0.067 0.000 2.141 73 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 73 L C 2.859 179.769 176.870 0.067 0.000 1.094 73 L CA 0.912 55.792 54.840 0.067 0.000 0.763 73 L CB -0.677 41.438 42.059 0.094 0.000 0.908 73 L HN 0.232 nan 8.230 nan 0.000 0.437 74 A N 0.145 123.004 122.820 0.065 0.000 1.877 74 A HA -0.241 4.079 4.320 -0.000 0.000 0.216 74 A C 1.915 179.522 177.584 0.038 0.000 1.186 74 A CA 2.011 54.077 52.037 0.047 0.000 0.620 74 A CB -0.538 18.485 19.000 0.039 0.000 0.822 74 A HN 0.343 nan 8.150 nan 0.000 0.443 75 D N -0.035 120.390 120.400 0.042 0.000 2.123 75 D HA -0.140 4.500 4.640 -0.000 0.000 0.196 75 D C 1.566 177.886 176.300 0.033 0.000 0.992 75 D CA 1.477 55.498 54.000 0.035 0.000 0.833 75 D CB -0.418 40.408 40.800 0.043 0.000 0.954 75 D HN 0.668 nan 8.370 nan 0.000 0.455 76 E N 0.275 120.503 120.200 0.046 0.000 2.502 76 E HA 0.004 4.354 4.350 -0.000 0.000 0.194 76 E C -0.165 176.465 176.600 0.050 0.000 1.062 76 E CA -0.163 56.270 56.400 0.054 0.000 0.867 76 E CB 0.011 29.764 29.700 0.089 0.000 0.888 76 E HN 0.152 nan 8.360 nan 0.000 0.510 77 N N 0.322 119.045 118.700 0.039 0.000 2.725 77 N HA -0.154 4.586 4.740 -0.000 0.000 0.249 77 N C -0.975 174.556 175.510 0.036 0.000 1.103 77 N CA 0.547 53.616 53.050 0.031 0.000 0.707 77 N CB -1.377 37.121 38.487 0.018 0.000 1.043 77 N HN -0.014 nan 8.380 nan 0.000 0.553 78 V N 1.478 121.420 119.914 0.047 0.000 2.368 78 V HA 0.247 4.367 4.120 -0.000 0.000 0.266 78 V C -1.701 174.425 176.094 0.053 0.000 1.045 78 V CA -1.175 61.153 62.300 0.047 0.000 0.899 78 V CB 1.254 33.108 31.823 0.051 0.000 1.006 78 V HN -0.027 nan 8.190 nan 0.000 0.470 79 P HA 0.206 nan 4.420 nan 0.000 0.268 79 P C -0.540 176.800 177.300 0.066 0.000 1.204 79 P CA 0.210 63.327 63.100 0.029 0.000 0.768 79 P CB 0.723 32.418 31.700 -0.009 0.000 0.842 80 V N -0.488 119.466 119.914 0.068 0.000 3.074 80 V HA 0.962 5.082 4.120 -0.000 0.000 0.314 80 V C -0.852 175.232 176.094 -0.018 0.000 1.117 80 V CA -1.512 60.838 62.300 0.083 0.000 1.014 80 V CB 1.953 33.857 31.823 0.134 0.000 1.057 80 V HN 0.551 nan 8.190 nan 0.000 0.438 81 A N 1.847 124.611 122.820 -0.094 0.000 2.457 81 A HA 0.807 5.127 4.320 -0.000 0.000 0.283 81 A C -0.067 177.325 177.584 -0.320 0.000 1.166 81 A CA 0.054 52.010 52.037 -0.135 0.000 0.740 81 A CB 0.760 19.741 19.000 -0.031 0.000 1.181 81 A HN 1.591 nan 8.150 nan 0.000 0.446 82 T N -0.967 113.366 114.554 -0.368 0.000 2.925 82 T HA 0.752 5.102 4.350 -0.000 0.000 0.285 82 T C -0.446 174.090 174.700 -0.274 0.000 1.021 82 T CA -0.727 61.068 62.100 -0.509 0.000 1.042 82 T CB 1.615 70.167 68.868 -0.526 0.000 1.037 82 T HN 0.563 nan 8.240 nan 0.000 0.481 83 V N 2.050 121.823 119.914 -0.234 0.000 2.540 83 V HA 0.396 4.516 4.120 -0.000 0.000 0.302 83 V C -0.010 176.032 176.094 -0.087 0.000 1.035 83 V CA -0.941 61.284 62.300 -0.126 0.000 0.873 83 V CB 1.721 33.490 31.823 -0.090 0.000 0.992 83 V HN 0.905 nan 8.190 nan 0.000 0.428 84 E N 3.090 123.253 120.200 -0.063 0.000 2.324 84 E HA 0.480 4.830 4.350 -0.000 0.000 0.271 84 E C -0.051 176.543 176.600 -0.010 0.000 1.028 84 E CA 0.115 56.490 56.400 -0.041 0.000 0.890 84 E CB 1.576 31.254 29.700 -0.037 0.000 1.004 84 E HN 0.793 nan 8.360 nan 0.000 0.431 85 A N 4.187 127.010 122.820 0.004 0.000 2.355 85 A HA 0.352 4.672 4.320 -0.000 0.000 0.324 85 A C 0.947 178.564 177.584 0.053 0.000 1.117 85 A CA -0.636 51.424 52.037 0.039 0.000 0.785 85 A CB 1.083 20.120 19.000 0.062 0.000 1.254 85 A HN 0.430 nan 8.150 nan 0.000 0.453 86 K N 0.519 120.965 120.400 0.077 0.000 2.025 86 K HA -0.074 4.245 4.320 -0.000 0.000 0.207 86 K C 0.064 176.772 176.600 0.181 0.000 1.049 86 K CA 1.006 57.358 56.287 0.108 0.000 0.933 86 K CB -0.170 32.385 32.500 0.092 0.000 0.714 86 K HN 0.802 nan 8.250 nan 0.000 0.438 87 D N -0.213 120.287 120.400 0.168 0.000 2.382 87 D HA -0.015 4.625 4.640 -0.000 0.000 0.245 87 D C -0.614 175.866 176.300 0.301 0.000 1.120 87 D CA -0.244 53.890 54.000 0.223 0.000 0.890 87 D CB 0.397 41.287 40.800 0.149 0.000 1.201 87 D HN -0.141 nan 8.370 nan 0.000 0.433 88 W N 2.232 123.557 121.300 0.042 0.000 2.210 88 W HA 0.128 4.788 4.660 -0.000 0.000 0.330 88 W C 0.835 177.387 176.519 0.055 0.000 1.334 88 W CA -0.445 56.929 57.345 0.047 0.000 1.227 88 W CB -0.119 29.366 29.460 0.042 0.000 1.178 88 W HN 0.197 nan 8.180 nan 0.000 0.560 89 T N 5.011 119.678 114.554 0.188 0.000 2.905 89 T HA 0.012 4.361 4.350 -0.000 0.000 0.299 89 T C 0.712 175.519 174.700 0.180 0.000 1.024 89 T CA -0.145 62.041 62.100 0.144 0.000 1.151 89 T CB -0.016 68.901 68.868 0.083 0.000 0.987 89 T HN 0.363 nan 8.240 nan 0.000 0.535 90 R N 2.942 123.526 120.500 0.141 0.000 2.707 90 R HA 0.295 4.635 4.340 -0.000 0.000 0.270 90 R C -0.414 175.963 176.300 0.127 0.000 1.083 90 R CA -0.580 55.600 56.100 0.132 0.000 1.182 90 R CB 0.599 30.958 30.300 0.099 0.000 1.084 90 R HN 0.573 nan 8.270 nan 0.000 0.528 91 Q N 1.129 121.005 119.800 0.126 0.000 2.325 91 Q HA 0.326 4.666 4.340 -0.000 0.000 0.270 91 Q C -1.317 174.742 176.000 0.098 0.000 1.020 91 Q CA -0.980 54.902 55.803 0.132 0.000 0.785 91 Q CB 2.206 31.044 28.738 0.166 0.000 1.259 91 Q HN 0.534 nan 8.270 nan 0.000 0.452 92 N N 2.035 120.790 118.700 0.092 0.000 2.405 92 N HA 0.423 5.163 4.740 -0.000 0.000 0.299 92 N C -1.307 174.208 175.510 0.010 0.000 1.075 92 N CA -0.604 52.466 53.050 0.033 0.000 0.884 92 N CB 1.501 39.991 38.487 0.004 0.000 1.194 92 N HN 0.408 nan 8.380 nan 0.000 0.491 93 L N 2.440 123.648 121.223 -0.024 0.000 2.282 93 L HA 0.379 4.719 4.340 -0.000 0.000 0.288 93 L C -0.930 175.900 176.870 -0.066 0.000 1.033 93 L CA -0.398 54.460 54.840 0.030 0.000 0.807 93 L CB 0.379 42.489 42.059 0.085 0.000 1.209 93 L HN 0.540 nan 8.230 nan 0.000 0.423 94 H N 3.533 122.672 119.070 0.115 0.000 2.511 94 H HA 0.606 5.162 4.556 -0.000 0.000 0.328 94 H C -0.910 174.495 175.328 0.129 0.000 1.044 94 H CA -0.581 55.528 56.048 0.102 0.000 1.212 94 H CB 1.637 31.423 29.762 0.040 0.000 1.428 94 H HN 0.352 nan 8.280 nan 0.000 0.483 95 V N 3.332 123.408 119.914 0.271 0.000 2.350 95 V HA 0.103 4.223 4.120 -0.000 0.000 0.285 95 V C -0.325 175.925 176.094 0.259 0.000 1.014 95 V CA -0.778 61.667 62.300 0.242 0.000 0.831 95 V CB 0.643 32.619 31.823 0.254 0.000 1.000 95 V HN 0.794 nan 8.190 nan 0.000 0.433 96 H N 4.378 123.522 119.070 0.123 0.000 2.604 96 H HA 0.553 5.109 4.556 -0.000 0.000 0.306 96 H C -0.702 174.685 175.328 0.099 0.000 1.075 96 H CA -0.318 55.791 56.048 0.102 0.000 1.357 96 H CB 1.434 31.230 29.762 0.057 0.000 1.426 96 H HN 0.418 nan 8.280 nan 0.000 0.470 97 V N 6.583 126.269 119.914 -0.380 0.000 2.348 97 V HA 0.038 4.158 4.120 -0.000 0.000 0.270 97 V C 1.181 177.002 176.094 -0.455 0.000 1.037 97 V CA -0.246 61.893 62.300 -0.270 0.000 0.872 97 V CB 1.060 32.855 31.823 -0.047 0.000 1.002 97 V HN 0.964 nan 8.190 nan 0.000 0.464 98 E N 3.732 123.782 120.200 -0.250 0.000 2.085 98 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 98 E C 2.250 178.818 176.600 -0.053 0.000 0.994 98 E CA 1.520 57.856 56.400 -0.106 0.000 0.801 98 E CB -0.031 29.679 29.700 0.016 0.000 0.743 98 E HN 0.878 nan 8.360 nan 0.000 0.453 99 A N 0.973 123.773 122.820 -0.034 0.000 1.940 99 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 99 A C 2.245 179.828 177.584 -0.001 0.000 1.176 99 A CA 2.150 54.186 52.037 -0.001 0.000 0.631 99 A CB -0.340 18.671 19.000 0.018 0.000 0.814 99 A HN 0.339 nan 8.150 nan 0.000 0.446 100 S N -3.345 112.343 115.700 -0.019 0.000 2.512 100 S HA 0.416 4.886 4.470 -0.000 0.000 0.216 100 S C 1.462 176.057 174.600 -0.010 0.000 1.006 100 S CA 1.098 59.298 58.200 0.000 0.000 0.915 100 S CB 0.114 63.332 63.200 0.030 0.000 0.824 100 S HN 1.907 nan 8.310 nan 0.000 0.497 101 G N 1.306 110.071 108.800 -0.059 0.000 2.168 101 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.263 101 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.263 101 G C -0.180 174.743 174.900 0.037 0.000 0.977 101 G CA 0.475 45.595 45.100 0.032 0.000 0.659 101 G HN 0.628 nan 8.290 nan 0.000 0.533 102 E N -0.102 120.071 120.200 -0.046 0.000 2.373 102 E HA 0.485 4.834 4.350 -0.000 0.000 0.263 102 E C 0.251 176.853 176.600 0.002 0.000 1.073 102 E CA -0.193 56.186 56.400 -0.036 0.000 0.894 102 E CB 0.759 30.439 29.700 -0.033 0.000 1.008 102 E HN 0.394 nan 8.360 nan 0.000 0.420 103 Q N 1.923 121.691 119.800 -0.053 0.000 2.353 103 Q HA 0.294 4.634 4.340 -0.000 0.000 0.268 103 Q C -1.783 174.107 176.000 -0.183 0.000 1.045 103 Q CA -0.658 55.165 55.803 0.034 0.000 0.811 103 Q CB 1.017 29.817 28.738 0.103 0.000 1.305 103 Q HN 0.466 nan 8.270 nan 0.000 0.447 104 Y N 1.519 121.787 120.300 -0.053 0.000 2.377 104 Y HA 0.502 5.051 4.550 -0.001 0.000 0.339 104 Y C -0.440 175.234 175.900 -0.376 0.000 1.011 104 Y CA -0.704 57.247 58.100 -0.247 0.000 1.093 104 Y CB 1.785 40.091 38.460 -0.256 0.000 1.201 104 Y HN 0.444 nan 8.280 nan 0.000 0.455 105 R N 3.345 123.572 120.500 -0.455 0.000 2.388 105 R HA 0.427 4.767 4.340 -0.000 0.000 0.314 105 R C -1.859 174.081 176.300 -0.599 0.000 0.959 105 R CA -0.529 55.302 56.100 -0.449 0.000 0.851 105 R CB 0.926 31.101 30.300 -0.209 0.000 1.168 105 R HN 0.477 nan 8.270 nan 0.000 0.472 106 F N 2.602 122.454 119.950 -0.164 0.000 2.313 106 F HA 0.272 4.799 4.527 -0.001 0.000 0.369 106 F C 0.189 175.917 175.800 -0.121 0.000 1.109 106 F CA -0.948 56.991 58.000 -0.101 0.000 1.132 106 F CB 1.275 40.231 39.000 -0.072 0.000 1.291 106 F HN 0.099 nan 8.300 nan 0.000 0.496 107 V N 5.512 125.445 119.914 0.031 0.000 2.318 107 V HA 0.246 4.366 4.120 -0.000 0.000 0.271 107 V C 0.465 176.585 176.094 0.044 0.000 1.030 107 V CA -0.729 61.577 62.300 0.010 0.000 0.844 107 V CB 0.464 32.281 31.823 -0.011 0.000 1.015 107 V HN 0.593 nan 8.190 nan 0.000 0.460 108 M N 5.777 125.407 119.600 0.050 0.000 2.114 108 M HA 0.421 4.900 4.480 -0.000 0.000 0.293 108 M C -2.259 174.068 176.300 0.046 0.000 1.201 108 M CA -2.380 52.950 55.300 0.050 0.000 1.107 108 M CB -0.600 32.032 32.600 0.053 0.000 1.405 108 M HN 0.210 nan 8.290 nan 0.000 0.486 109 P HA 0.212 nan 4.420 nan 0.000 0.275 109 P C 0.102 177.433 177.300 0.053 0.000 1.228 109 P CA -0.181 62.945 63.100 0.042 0.000 0.786 109 P CB 0.201 31.924 31.700 0.037 0.000 0.927 110 G N 1.712 110.544 108.800 0.053 0.000 2.630 110 G HA2 0.349 4.309 3.960 -0.000 0.000 0.236 110 G HA3 0.349 4.309 3.960 -0.000 0.000 0.236 110 G C -0.061 174.883 174.900 0.074 0.000 1.248 110 G CA -0.162 44.977 45.100 0.065 0.000 0.844 110 G HN 0.658 nan 8.290 nan 0.000 0.588 111 A N 0.574 123.449 122.820 0.092 0.000 2.498 111 A HA 0.570 4.890 4.320 -0.000 0.000 0.239 111 A C 1.099 178.738 177.584 0.091 0.000 1.068 111 A CA 0.398 52.497 52.037 0.104 0.000 0.766 111 A CB -0.055 19.023 19.000 0.130 0.000 1.003 111 A HN 1.948 nan 8.150 nan 0.000 0.497 112 A N 1.614 124.484 122.820 0.083 0.000 2.466 112 A HA 0.518 4.838 4.320 -0.000 0.000 0.238 112 A C -0.059 177.574 177.584 0.082 0.000 1.074 112 A CA 0.126 52.205 52.037 0.070 0.000 0.774 112 A CB -0.011 19.024 19.000 0.058 0.000 1.015 112 A HN 0.874 nan 8.150 nan 0.000 0.498 113 L N 2.268 123.538 121.223 0.078 0.000 2.376 113 L HA 0.274 4.614 4.340 -0.000 0.000 0.275 113 L C -0.185 176.734 176.870 0.081 0.000 0.987 113 L CA -0.917 53.981 54.840 0.097 0.000 0.828 113 L CB 1.758 43.901 42.059 0.140 0.000 1.249 113 L HN 1.012 nan 8.230 nan 0.000 0.409 114 N N 1.997 120.745 118.700 0.081 0.000 2.381 114 N HA 0.065 4.805 4.740 -0.000 0.000 0.254 114 N C 0.623 176.189 175.510 0.093 0.000 1.264 114 N CA -0.450 52.641 53.050 0.067 0.000 0.942 114 N CB 0.650 39.170 38.487 0.055 0.000 1.190 114 N HN 0.434 nan 8.380 nan 0.000 0.495 115 E N -0.406 119.838 120.200 0.073 0.000 2.110 115 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 115 E C 0.711 177.390 176.600 0.132 0.000 0.988 115 E CA 1.552 58.011 56.400 0.099 0.000 0.804 115 E CB -0.385 29.350 29.700 0.059 0.000 0.745 115 E HN 0.843 nan 8.360 nan 0.000 0.458 116 D N 1.070 121.522 120.400 0.088 0.000 2.117 116 D HA -0.155 4.485 4.640 -0.000 0.000 0.197 116 D C 1.751 178.092 176.300 0.068 0.000 0.987 116 D CA 1.256 55.297 54.000 0.068 0.000 0.829 116 D CB 0.112 40.938 40.800 0.044 0.000 0.961 116 D HN 0.179 nan 8.370 nan 0.000 0.460 117 E N -0.903 119.347 120.200 0.082 0.000 2.106 117 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 117 E C 1.808 178.461 176.600 0.089 0.000 0.984 117 E CA 0.597 57.040 56.400 0.071 0.000 0.806 117 E CB -0.274 29.474 29.700 0.079 0.000 0.750 117 E HN 0.389 nan 8.360 nan 0.000 0.458 118 F N 1.707 121.664 119.950 0.011 0.000 2.134 118 F HA -0.158 4.369 4.527 -0.000 0.000 0.299 118 F C 2.426 178.228 175.800 0.003 0.000 1.097 118 F CA 1.343 59.349 58.000 0.011 0.000 1.264 118 F CB 0.114 39.122 39.000 0.013 0.000 1.001 118 F HN -0.193 nan 8.300 nan 0.000 0.479 119 R N 0.282 120.811 120.500 0.048 0.000 2.091 119 R HA -0.217 4.123 4.340 -0.000 0.000 0.238 119 R C 2.215 178.436 176.300 -0.132 0.000 1.136 119 R CA 2.184 58.257 56.100 -0.044 0.000 0.959 119 R CB -0.376 29.945 30.300 0.035 0.000 0.856 119 R HN 0.454 nan 8.270 nan 0.000 0.437 120 Q N 0.112 119.856 119.800 -0.094 0.000 2.084 120 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 120 Q C 2.315 178.225 176.000 -0.150 0.000 0.978 120 Q CA 1.417 57.161 55.803 -0.098 0.000 0.844 120 Q CB -0.080 28.620 28.738 -0.063 0.000 0.898 120 Q HN 0.369 nan 8.270 nan 0.000 0.426 121 L N 0.533 121.635 121.223 -0.201 0.000 2.012 121 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 121 L C 2.468 179.155 176.870 -0.304 0.000 1.073 121 L CA 1.404 56.100 54.840 -0.240 0.000 0.748 121 L CB -0.388 41.515 42.059 -0.261 0.000 0.891 121 L HN 0.304 nan 8.230 nan 0.000 0.431 122 E N 0.094 120.020 120.200 -0.456 0.000 2.085 122 E HA -0.277 4.073 4.350 -0.000 0.000 0.194 122 E C 2.259 178.735 176.600 -0.207 0.000 0.994 122 E CA 1.682 57.861 56.400 -0.370 0.000 0.801 122 E CB 0.071 29.533 29.700 -0.397 0.000 0.743 122 E HN 0.520 nan 8.360 nan 0.000 0.453 123 E N 0.897 120.994 120.200 -0.171 0.000 2.058 123 E HA -0.276 4.074 4.350 -0.000 0.000 0.194 123 E C 1.913 178.443 176.600 -0.117 0.000 0.997 123 E CA 1.633 57.962 56.400 -0.117 0.000 0.801 123 E CB -0.785 28.860 29.700 -0.092 0.000 0.746 123 E HN 0.257 nan 8.360 nan 0.000 0.450 124 Q N -0.162 119.563 119.800 -0.126 0.000 2.084 124 Q HA -0.087 4.253 4.340 -0.000 0.000 0.202 124 Q C 2.561 178.473 176.000 -0.148 0.000 0.978 124 Q CA 1.573 57.305 55.803 -0.117 0.000 0.844 124 Q CB -0.539 28.135 28.738 -0.106 0.000 0.898 124 Q HN 0.508 nan 8.270 nan 0.000 0.426 125 V N 1.222 121.041 119.914 -0.158 0.000 2.343 125 V HA -0.211 3.909 4.120 -0.000 0.000 0.247 125 V C 2.189 178.174 176.094 -0.183 0.000 1.051 125 V CA 1.317 63.511 62.300 -0.176 0.000 1.036 125 V CB -0.424 31.313 31.823 -0.143 0.000 0.654 125 V HN 0.286 nan 8.190 nan 0.000 0.451 126 L N -0.340 120.797 121.223 -0.143 0.000 2.599 126 L HA 0.054 4.394 4.340 -0.000 0.000 0.230 126 L C 1.909 178.711 176.870 -0.114 0.000 1.141 126 L CA 0.530 55.300 54.840 -0.117 0.000 0.877 126 L CB -0.360 41.647 42.059 -0.087 0.000 1.009 126 L HN 0.403 nan 8.230 nan 0.000 0.447 127 E N 0.185 120.304 120.200 -0.135 0.000 2.479 127 E HA 0.119 4.469 4.350 -0.000 0.000 0.193 127 E C 0.513 177.015 176.600 -0.163 0.000 1.049 127 E CA -0.173 56.157 56.400 -0.117 0.000 0.870 127 E CB 0.424 30.069 29.700 -0.092 0.000 0.944 127 E HN 0.433 nan 8.360 nan 0.000 0.492 128 I N 3.443 123.852 120.570 -0.268 0.000 2.648 128 I HA -0.074 4.096 4.170 -0.000 0.000 0.284 128 I C 1.006 177.020 176.117 -0.172 0.000 1.153 128 I CA 0.061 61.129 61.300 -0.387 0.000 1.426 128 I CB 0.357 38.010 38.000 -0.578 0.000 1.381 128 I HN 0.105 nan 8.210 nan 0.000 0.571 129 E N 4.981 125.132 120.200 -0.082 0.000 2.383 129 E HA 0.101 4.450 4.350 -0.000 0.000 0.264 129 E C -0.205 176.390 176.600 -0.009 0.000 1.050 129 E CA -0.588 55.803 56.400 -0.014 0.000 0.896 129 E CB 0.846 30.569 29.700 0.039 0.000 0.982 129 E HN 0.482 nan 8.360 nan 0.000 0.424 130 S N 1.365 117.062 115.700 -0.006 0.000 2.552 130 S HA 0.298 4.768 4.470 -0.000 0.000 0.289 130 S C 1.185 175.794 174.600 0.015 0.000 1.304 130 S CA 0.815 59.014 58.200 -0.001 0.000 1.063 130 S CB -0.245 62.954 63.200 -0.002 0.000 0.848 130 S HN 0.943 nan 8.310 nan 0.000 0.499 131 G N 2.736 111.546 108.800 0.016 0.000 2.225 131 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.254 131 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.254 131 G C 0.382 175.308 174.900 0.044 0.000 0.988 131 G CA 0.191 45.306 45.100 0.025 0.000 0.625 131 G HN 1.427 nan 8.290 nan 0.000 0.527 132 A N -0.157 122.702 122.820 0.064 0.000 2.366 132 A HA 0.690 5.010 4.320 -0.000 0.000 0.250 132 A C 0.442 178.089 177.584 0.106 0.000 1.099 132 A CA 0.344 52.453 52.037 0.119 0.000 0.794 132 A CB 0.304 19.439 19.000 0.225 0.000 1.056 132 A HN 0.829 nan 8.150 nan 0.000 0.499 133 I N 0.370 121.024 120.570 0.140 0.000 2.377 133 I HA 0.339 4.508 4.170 -0.000 0.000 0.293 133 I C -0.756 175.454 176.117 0.155 0.000 0.987 133 I CA -0.484 60.882 61.300 0.109 0.000 1.185 133 I CB 1.618 39.664 38.000 0.076 0.000 1.341 133 I HN 0.527 nan 8.210 nan 0.000 0.455 134 L N 8.241 129.524 121.223 0.100 0.000 2.325 134 L HA 0.519 4.858 4.340 -0.000 0.000 0.281 134 L C -0.867 176.048 176.870 0.074 0.000 1.004 134 L CA -0.383 54.517 54.840 0.101 0.000 0.823 134 L CB 1.605 43.689 42.059 0.042 0.000 1.236 134 L HN 0.283 nan 8.230 nan 0.000 0.415 135 V N 6.923 126.886 119.914 0.081 0.000 2.364 135 V HA 0.385 4.505 4.120 -0.000 0.000 0.272 135 V C 0.320 176.448 176.094 0.057 0.000 1.036 135 V CA -0.313 62.022 62.300 0.058 0.000 0.880 135 V CB 0.984 32.836 31.823 0.048 0.000 0.991 135 V HN 0.592 nan 8.190 nan 0.000 0.460 136 I N 4.487 125.086 120.570 0.049 0.000 2.297 136 I HA 0.436 4.606 4.170 -0.000 0.000 0.291 136 I C 0.272 176.414 176.117 0.042 0.000 1.033 136 I CA 0.345 61.676 61.300 0.051 0.000 1.253 136 I CB 1.295 39.326 38.000 0.052 0.000 1.396 136 I HN 0.623 nan 8.210 nan 0.000 0.476 137 S N 4.734 120.458 115.700 0.041 0.000 2.571 137 S HA 0.903 5.373 4.470 -0.000 0.000 0.284 137 S C -0.372 174.244 174.600 0.028 0.000 1.128 137 S CA 0.114 58.330 58.200 0.028 0.000 0.970 137 S CB 1.620 64.830 63.200 0.016 0.000 1.039 137 S HN 1.107 nan 8.310 nan 0.000 0.485 138 G N 2.384 111.198 108.800 0.024 0.000 2.479 138 G HA2 0.115 4.075 3.960 -0.000 0.000 0.686 138 G HA3 0.115 4.075 3.960 -0.000 0.000 0.686 138 G C -0.351 174.567 174.900 0.031 0.000 1.295 138 G CA -0.335 44.779 45.100 0.024 0.000 0.922 138 G HN 1.804 nan 8.290 nan 0.000 0.582 139 S N -0.853 114.865 115.700 0.031 0.000 2.600 139 S HA 0.632 5.101 4.470 -0.000 0.000 0.265 139 S C 0.276 174.901 174.600 0.042 0.000 1.325 139 S CA -0.458 57.761 58.200 0.032 0.000 1.002 139 S CB 1.322 64.539 63.200 0.028 0.000 0.921 139 S HN 1.124 nan 8.310 nan 0.000 0.554 140 L N 2.615 123.860 121.223 0.036 0.000 2.331 140 L HA 0.469 4.809 4.340 -0.000 0.000 0.278 140 L C -2.003 174.889 176.870 0.036 0.000 1.106 140 L CA -1.699 53.164 54.840 0.039 0.000 0.824 140 L CB 0.006 42.077 42.059 0.019 0.000 1.142 140 L HN 0.585 nan 8.230 nan 0.000 0.443 141 P HA 0.327 nan 4.420 nan 0.000 0.277 141 P C -2.641 174.676 177.300 0.029 0.000 1.240 141 P CA -1.834 61.296 63.100 0.050 0.000 0.798 141 P CB -0.099 31.647 31.700 0.076 0.000 0.979 142 P HA 0.073 nan 4.420 nan 0.000 0.264 142 P C 1.050 178.356 177.300 0.010 0.000 1.183 142 P CA 1.395 64.504 63.100 0.016 0.000 0.763 142 P CB -0.066 31.648 31.700 0.024 0.000 0.807 143 G N 1.090 109.883 108.800 -0.012 0.000 2.254 143 G HA2 -0.200 3.759 3.960 -0.000 0.000 0.225 143 G HA3 -0.200 3.759 3.960 -0.000 0.000 0.225 143 G C -0.081 174.771 174.900 -0.079 0.000 1.003 143 G CA -0.179 44.906 45.100 -0.026 0.000 0.622 143 G HN 0.536 nan 8.290 nan 0.000 0.507 144 V N 2.665 122.521 119.914 -0.096 0.000 2.348 144 V HA 0.402 4.522 4.120 -0.000 0.000 0.270 144 V C 0.756 176.748 176.094 -0.169 0.000 1.037 144 V CA -0.500 61.679 62.300 -0.203 0.000 0.872 144 V CB 1.283 32.999 31.823 -0.179 0.000 1.002 144 V HN 0.327 nan 8.190 nan 0.000 0.464 145 K N 2.716 122.994 120.400 -0.204 0.000 2.295 145 K HA 0.171 4.491 4.320 -0.000 0.000 0.270 145 K C 0.906 177.429 176.600 -0.129 0.000 1.011 145 K CA -0.546 55.658 56.287 -0.137 0.000 0.953 145 K CB 0.928 33.356 32.500 -0.120 0.000 0.956 145 K HN 0.461 nan 8.250 nan 0.000 0.477 146 L N 3.236 124.416 121.223 -0.072 0.000 2.083 146 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 146 L C 1.435 178.282 176.870 -0.038 0.000 1.083 146 L CA 1.937 56.750 54.840 -0.044 0.000 0.752 146 L CB -0.333 41.712 42.059 -0.023 0.000 0.899 146 L HN 0.645 nan 8.230 nan 0.000 0.433 147 E N -0.319 119.855 120.200 -0.043 0.000 2.118 147 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 147 E C 2.134 178.722 176.600 -0.021 0.000 0.992 147 E CA 1.458 57.842 56.400 -0.026 0.000 0.804 147 E CB -0.201 29.483 29.700 -0.027 0.000 0.741 147 E HN 0.456 nan 8.360 nan 0.000 0.458 148 K N 0.028 120.382 120.400 -0.076 0.000 2.097 148 K HA -0.105 4.215 4.320 -0.000 0.000 0.205 148 K C 2.085 178.743 176.600 0.097 0.000 1.050 148 K CA 0.788 57.036 56.287 -0.064 0.000 0.938 148 K CB -0.184 32.075 32.500 -0.402 0.000 0.718 148 K HN 0.084 nan 8.250 nan 0.000 0.442 149 L N 1.333 122.587 121.223 0.052 0.000 2.056 149 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 149 L C 2.103 179.035 176.870 0.102 0.000 1.078 149 L CA 1.902 56.828 54.840 0.142 0.000 0.749 149 L CB -0.782 41.328 42.059 0.085 0.000 0.901 149 L HN 0.041 nan 8.230 nan 0.000 0.433 150 T N -0.659 113.929 114.554 0.057 0.000 2.708 150 T HA -0.222 4.128 4.350 -0.000 0.000 0.266 150 T C 1.824 176.554 174.700 0.050 0.000 1.037 150 T CA 1.878 64.004 62.100 0.043 0.000 1.146 150 T CB -0.104 68.779 68.868 0.024 0.000 0.865 150 T HN 0.489 nan 8.240 nan 0.000 0.435 151 Q N 0.243 120.079 119.800 0.060 0.000 2.119 151 Q HA 0.020 4.359 4.340 -0.000 0.000 0.201 151 Q C 2.366 178.407 176.000 0.068 0.000 0.972 151 Q CA 1.021 56.860 55.803 0.060 0.000 0.847 151 Q CB -0.312 28.465 28.738 0.065 0.000 0.903 151 Q HN 0.461 nan 8.270 nan 0.000 0.433 152 L N 0.473 121.759 121.223 0.106 0.000 2.046 152 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 152 L C 2.078 178.973 176.870 0.041 0.000 1.077 152 L CA 1.287 56.176 54.840 0.081 0.000 0.747 152 L CB -0.125 42.012 42.059 0.130 0.000 0.896 152 L HN 0.224 nan 8.230 nan 0.000 0.432 153 I N -0.716 119.883 120.570 0.049 0.000 2.226 153 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 153 I C 2.542 178.670 176.117 0.020 0.000 1.100 153 I CA 1.371 62.689 61.300 0.030 0.000 1.374 153 I CB -0.414 37.606 38.000 0.034 0.000 1.057 153 I HN 0.254 nan 8.210 nan 0.000 0.413 154 S N 0.846 116.560 115.700 0.023 0.000 2.359 154 S HA -0.196 4.274 4.470 -0.000 0.000 0.224 154 S C 2.283 176.889 174.600 0.009 0.000 1.035 154 S CA 1.460 59.670 58.200 0.016 0.000 1.018 154 S CB -0.429 62.782 63.200 0.018 0.000 0.876 154 S HN 0.554 nan 8.310 nan 0.000 0.448 155 A N 1.537 124.363 122.820 0.010 0.000 1.908 155 A HA 0.045 4.365 4.320 -0.000 0.000 0.218 155 A C 2.347 179.925 177.584 -0.011 0.000 1.181 155 A CA 1.829 53.867 52.037 0.000 0.000 0.627 155 A CB -1.089 17.911 19.000 0.000 0.000 0.818 155 A HN 0.526 nan 8.150 nan 0.000 0.445 156 A N -0.785 122.028 122.820 -0.013 0.000 1.902 156 A HA -0.204 4.115 4.320 -0.000 0.000 0.217 156 A C 2.115 179.689 177.584 -0.017 0.000 1.181 156 A CA 1.621 53.643 52.037 -0.025 0.000 0.623 156 A CB -0.575 18.409 19.000 -0.027 0.000 0.818 156 A HN 0.647 nan 8.150 nan 0.000 0.443 157 Q N -0.721 119.075 119.800 -0.006 0.000 2.167 157 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 157 Q C 2.100 178.098 176.000 -0.003 0.000 0.970 157 Q CA 1.513 57.315 55.803 -0.002 0.000 0.855 157 Q CB -0.169 28.572 28.738 0.004 0.000 0.911 157 Q HN 0.725 nan 8.270 nan 0.000 0.438 158 K N 1.235 121.633 120.400 -0.004 0.000 2.147 158 K HA -0.189 4.131 4.320 -0.000 0.000 0.205 158 K C 1.424 178.020 176.600 -0.008 0.000 1.049 158 K CA 1.406 57.691 56.287 -0.004 0.000 0.936 158 K CB 0.149 32.647 32.500 -0.004 0.000 0.722 158 K HN 0.270 nan 8.250 nan 0.000 0.446 159 Q N -1.244 118.548 119.800 -0.014 0.000 2.201 159 Q HA 0.209 4.549 4.340 -0.000 0.000 0.236 159 Q C 0.445 176.436 176.000 -0.016 0.000 0.857 159 Q CA 0.243 56.036 55.803 -0.017 0.000 1.025 159 Q CB 0.810 29.532 28.738 -0.026 0.000 1.124 159 Q HN 0.337 nan 8.270 nan 0.000 0.473 160 G N 1.334 110.128 108.800 -0.010 0.000 2.179 160 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.260 160 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.260 160 G C 0.110 175.007 174.900 -0.004 0.000 0.977 160 G CA 0.033 45.130 45.100 -0.005 0.000 0.641 160 G HN 0.477 nan 8.290 nan 0.000 0.533 161 I N 1.227 121.789 120.570 -0.013 0.000 2.533 161 I HA 0.232 4.402 4.170 -0.000 0.000 0.284 161 I C 1.017 177.136 176.117 0.002 0.000 1.109 161 I CA -0.143 61.149 61.300 -0.013 0.000 1.412 161 I CB 0.520 38.495 38.000 -0.040 0.000 1.396 161 I HN 0.054 nan 8.210 nan 0.000 0.543 162 R N 5.478 125.988 120.500 0.016 0.000 2.196 162 R HA 0.410 4.750 4.340 -0.000 0.000 0.340 162 R C -1.153 175.164 176.300 0.027 0.000 1.043 162 R CA -0.504 55.609 56.100 0.022 0.000 0.883 162 R CB 0.753 31.069 30.300 0.026 0.000 1.078 162 R HN 0.586 nan 8.270 nan 0.000 0.462 163 C N 4.968 124.282 119.300 0.023 0.000 2.319 163 C HA 0.504 4.963 4.460 -0.000 0.000 0.335 163 C C 0.461 175.468 174.990 0.028 0.000 1.274 163 C CA -0.692 58.342 59.018 0.026 0.000 1.806 163 C CB -0.130 27.623 27.740 0.021 0.000 2.329 163 C HN 0.737 nan 8.230 nan 0.000 0.524 164 I N 3.167 123.757 120.570 0.033 0.000 2.404 164 I HA 0.485 4.655 4.170 -0.000 0.000 0.293 164 I C -0.541 175.594 176.117 0.030 0.000 0.992 164 I CA -0.339 60.979 61.300 0.030 0.000 1.149 164 I CB 1.505 39.524 38.000 0.031 0.000 1.315 164 I HN 0.271 nan 8.210 nan 0.000 0.446 165 V N 4.656 124.586 119.914 0.026 0.000 2.444 165 V HA 0.350 4.470 4.120 -0.000 0.000 0.294 165 V C -0.944 175.163 176.094 0.021 0.000 1.022 165 V CA -0.368 61.948 62.300 0.026 0.000 0.850 165 V CB 1.838 33.676 31.823 0.026 0.000 0.992 165 V HN 0.650 nan 8.190 nan 0.000 0.426 166 D N 3.146 123.559 120.400 0.021 0.000 2.389 166 D HA 0.611 5.251 4.640 -0.000 0.000 0.256 166 D C -0.386 175.924 176.300 0.017 0.000 1.239 166 D CA 0.281 54.290 54.000 0.015 0.000 0.925 166 D CB 1.751 42.557 40.800 0.010 0.000 1.145 166 D HN 0.520 nan 8.370 nan 0.000 0.542 167 S N 1.525 117.235 115.700 0.016 0.000 3.341 167 S HA 0.614 5.084 4.470 -0.000 0.000 0.326 167 S C -0.671 173.938 174.600 0.014 0.000 1.178 167 S CA -0.164 58.047 58.200 0.018 0.000 1.002 167 S CB 0.114 63.330 63.200 0.026 0.000 1.385 167 S HN 0.372 nan 8.310 nan 0.000 0.710 168 S N 0.336 116.045 115.700 0.015 0.000 2.589 168 S HA 0.384 4.854 4.470 -0.000 0.000 0.265 168 S C 1.468 176.074 174.600 0.010 0.000 1.342 168 S CA 0.209 58.415 58.200 0.011 0.000 1.005 168 S CB 0.200 63.406 63.200 0.011 0.000 0.909 168 S HN 1.159 nan 8.310 nan 0.000 0.555 169 G N 0.642 109.446 108.800 0.007 0.000 2.422 169 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.218 169 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.218 169 G C 1.090 175.994 174.900 0.007 0.000 1.146 169 G CA 0.895 45.998 45.100 0.006 0.000 0.769 169 G HN 0.778 nan 8.290 nan 0.000 0.547 170 E N 0.990 121.193 120.200 0.006 0.000 2.051 170 E HA 0.061 4.411 4.350 -0.000 0.000 0.192 170 E C 2.803 179.408 176.600 0.008 0.000 0.991 170 E CA 1.194 57.597 56.400 0.005 0.000 0.799 170 E CB -0.577 29.125 29.700 0.003 0.000 0.748 170 E HN 0.352 nan 8.360 nan 0.000 0.449 171 A N 0.793 123.619 122.820 0.011 0.000 1.933 171 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 171 A C 2.133 179.726 177.584 0.016 0.000 1.175 171 A CA 1.236 53.282 52.037 0.016 0.000 0.628 171 A CB -0.636 18.377 19.000 0.021 0.000 0.814 171 A HN 0.245 nan 8.150 nan 0.000 0.444 172 L N -0.002 121.229 121.223 0.014 0.000 1.976 172 L HA -0.132 4.208 4.340 -0.000 0.000 0.209 172 L C 2.645 179.522 176.870 0.012 0.000 1.071 172 L CA 2.731 57.579 54.840 0.013 0.000 0.746 172 L CB -1.128 40.937 42.059 0.011 0.000 0.890 172 L HN 0.371 nan 8.230 nan 0.000 0.432 173 S N -0.806 114.900 115.700 0.009 0.000 2.365 173 S HA -0.239 4.231 4.470 -0.000 0.000 0.225 173 S C 2.138 176.744 174.600 0.009 0.000 1.039 173 S CA 1.604 59.809 58.200 0.008 0.000 1.033 173 S CB -0.605 62.599 63.200 0.006 0.000 0.887 173 S HN 0.663 nan 8.310 nan 0.000 0.447 174 A N 1.185 124.011 122.820 0.010 0.000 1.933 174 A HA 0.207 4.527 4.320 -0.000 0.000 0.218 174 A C 2.472 180.064 177.584 0.014 0.000 1.175 174 A CA 1.910 53.954 52.037 0.011 0.000 0.628 174 A CB -1.343 17.663 19.000 0.010 0.000 0.814 174 A HN 0.802 nan 8.150 nan 0.000 0.444 175 A N -0.194 122.636 122.820 0.016 0.000 1.898 175 A HA 0.002 4.322 4.320 -0.000 0.000 0.216 175 A C 2.119 179.712 177.584 0.015 0.000 1.181 175 A CA 1.385 53.433 52.037 0.018 0.000 0.620 175 A CB -0.594 18.419 19.000 0.021 0.000 0.819 175 A HN 0.465 nan 8.150 nan 0.000 0.442 176 L N -0.738 120.493 121.223 0.013 0.000 2.131 176 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 176 L C 3.012 179.889 176.870 0.010 0.000 1.092 176 L CA 0.898 55.745 54.840 0.011 0.000 0.759 176 L CB -0.564 41.501 42.059 0.010 0.000 0.903 176 L HN 0.457 nan 8.230 nan 0.000 0.435 177 A N 0.144 122.970 122.820 0.010 0.000 1.930 177 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 177 A C 2.116 179.706 177.584 0.010 0.000 1.175 177 A CA 1.389 53.432 52.037 0.009 0.000 0.627 177 A CB -0.434 18.571 19.000 0.008 0.000 0.815 177 A HN 0.254 nan 8.150 nan 0.000 0.443 178 I N -0.963 119.614 120.570 0.011 0.000 2.252 178 I HA 0.101 4.270 4.170 -0.000 0.000 0.245 178 I C 1.479 177.602 176.117 0.011 0.000 1.102 178 I CA 1.298 62.606 61.300 0.012 0.000 1.385 178 I CB -0.727 37.282 38.000 0.015 0.000 1.064 178 I HN 0.584 nan 8.210 nan 0.000 0.414 179 G N -0.089 108.718 108.800 0.011 0.000 2.746 179 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.685 179 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.685 179 G C 0.189 175.095 174.900 0.011 0.000 1.350 179 G CA -0.269 44.837 45.100 0.010 0.000 0.837 179 G HN 0.274 nan 8.290 nan 0.000 0.564 180 N N -1.692 117.014 118.700 0.010 0.000 2.741 180 N HA -0.167 4.572 4.740 -0.000 0.000 0.250 180 N C 0.744 176.262 175.510 0.013 0.000 1.115 180 N CA 1.431 54.487 53.050 0.011 0.000 0.724 180 N CB -0.821 37.672 38.487 0.010 0.000 1.090 180 N HN 0.848 nan 8.380 nan 0.000 0.558 181 I N 1.393 121.971 120.570 0.014 0.000 2.598 181 I HA -0.025 4.145 4.170 -0.000 0.000 0.284 181 I C 1.945 178.072 176.117 0.016 0.000 1.140 181 I CA 0.276 61.585 61.300 0.016 0.000 1.420 181 I CB 0.570 38.580 38.000 0.017 0.000 1.387 181 I HN 0.036 nan 8.210 nan 0.000 0.553 182 E N 4.336 124.547 120.200 0.018 0.000 2.110 182 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 182 E C 0.238 176.849 176.600 0.019 0.000 0.988 182 E CA 1.098 57.509 56.400 0.019 0.000 0.804 182 E CB 0.196 29.909 29.700 0.022 0.000 0.745 182 E HN 0.526 nan 8.360 nan 0.000 0.458 183 L N -1.020 120.215 121.223 0.020 0.000 2.643 183 L HA 0.227 4.567 4.340 -0.000 0.000 0.257 183 L C -1.442 175.439 176.870 0.018 0.000 0.922 183 L CA -0.708 54.144 54.840 0.020 0.000 0.909 183 L CB 2.087 44.159 42.059 0.022 0.000 1.424 183 L HN -0.175 nan 8.230 nan 0.000 0.422 184 V N 1.164 121.088 119.914 0.016 0.000 2.962 184 V HA 0.702 4.822 4.120 -0.000 0.000 0.313 184 V C -0.787 175.314 176.094 0.013 0.000 1.099 184 V CA -0.705 61.603 62.300 0.014 0.000 0.971 184 V CB 1.991 33.822 31.823 0.013 0.000 1.028 184 V HN 0.875 nan 8.190 nan 0.000 0.430 185 K N 2.749 123.155 120.400 0.010 0.000 2.954 185 K HA 0.466 4.786 4.320 -0.000 0.000 0.171 185 K C -2.791 173.812 176.600 0.005 0.000 1.079 185 K CA -1.487 54.805 56.287 0.008 0.000 0.908 185 K CB 1.267 33.770 32.500 0.006 0.000 1.142 185 K HN 0.688 nan 8.250 nan 0.000 0.613 186 P HA 0.061 nan 4.420 nan 0.000 0.275 186 P C -0.715 176.586 177.300 0.001 0.000 1.228 186 P CA -0.290 62.812 63.100 0.003 0.000 0.786 186 P CB 0.569 32.272 31.700 0.004 0.000 0.927 187 N N 1.060 119.760 118.700 -0.001 0.000 2.366 187 N HA 0.046 4.786 4.740 -0.000 0.000 0.277 187 N C 0.942 176.451 175.510 -0.002 0.000 1.275 187 N CA -0.187 52.861 53.050 -0.003 0.000 0.964 187 N CB -0.145 38.338 38.487 -0.007 0.000 1.167 187 N HN 0.340 nan 8.380 nan 0.000 0.568 188 Q N -0.700 119.098 119.800 -0.002 0.000 2.119 188 Q HA -0.017 4.323 4.340 -0.000 0.000 0.201 188 Q C 1.458 177.457 176.000 -0.002 0.000 0.972 188 Q CA 1.151 56.953 55.803 -0.001 0.000 0.847 188 Q CB -0.113 28.624 28.738 -0.002 0.000 0.903 188 Q HN 0.547 nan 8.270 nan 0.000 0.433 189 K N 0.954 121.352 120.400 -0.003 0.000 2.057 189 K HA -0.169 4.150 4.320 -0.000 0.000 0.207 189 K C 1.918 178.517 176.600 -0.001 0.000 1.049 189 K CA 1.315 57.600 56.287 -0.003 0.000 0.931 189 K CB 0.002 32.499 32.500 -0.005 0.000 0.714 189 K HN 0.254 nan 8.250 nan 0.000 0.440 190 E N 0.724 120.923 120.200 -0.001 0.000 2.150 190 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 190 E C 1.939 178.540 176.600 0.002 0.000 0.985 190 E CA 0.639 57.039 56.400 0.000 0.000 0.814 190 E CB -0.012 29.688 29.700 0.001 0.000 0.752 190 E HN 0.088 nan 8.360 nan 0.000 0.466 191 L N 0.613 121.837 121.223 0.002 0.000 2.056 191 L HA -0.128 4.211 4.340 -0.000 0.000 0.207 191 L C 2.338 179.209 176.870 0.002 0.000 1.078 191 L CA 1.790 56.632 54.840 0.003 0.000 0.749 191 L CB -0.690 41.370 42.059 0.003 0.000 0.901 191 L HN -0.027 nan 8.230 nan 0.000 0.433 192 S N -0.649 115.052 115.700 0.002 0.000 2.370 192 S HA -0.177 4.292 4.470 -0.000 0.000 0.226 192 S C 2.139 176.740 174.600 0.002 0.000 1.033 192 S CA 1.263 59.464 58.200 0.001 0.000 1.011 192 S CB -0.487 62.713 63.200 0.001 0.000 0.852 192 S HN 0.642 nan 8.310 nan 0.000 0.457 193 A N 0.800 123.621 122.820 0.001 0.000 2.015 193 A HA 0.084 4.404 4.320 -0.000 0.000 0.219 193 A C 2.069 179.654 177.584 0.002 0.000 1.163 193 A CA 1.215 53.254 52.037 0.002 0.000 0.646 193 A CB -0.621 18.380 19.000 0.001 0.000 0.806 193 A HN 0.524 nan 8.150 nan 0.000 0.448 194 L N 0.041 121.266 121.223 0.003 0.000 2.023 194 L HA -0.077 4.263 4.340 -0.000 0.000 0.205 194 L C 2.360 179.232 176.870 0.004 0.000 1.073 194 L CA 2.404 57.246 54.840 0.004 0.000 0.745 194 L CB -0.353 41.709 42.059 0.004 0.000 0.900 194 L HN 0.410 nan 8.230 nan 0.000 0.435 195 V N -3.166 116.750 119.914 0.003 0.000 3.647 195 V HA 0.247 4.367 4.120 -0.000 0.000 0.279 195 V C 0.375 176.471 176.094 0.003 0.000 1.314 195 V CA 0.439 62.741 62.300 0.003 0.000 1.125 195 V CB -1.405 30.421 31.823 0.003 0.000 0.907 195 V HN 0.711 nan 8.190 nan 0.000 0.434 196 N N 1.416 120.117 118.700 0.002 0.000 2.740 196 N HA -0.218 4.522 4.740 -0.000 0.000 0.248 196 N C 0.002 175.513 175.510 0.002 0.000 1.062 196 N CA 0.992 54.043 53.050 0.002 0.000 0.704 196 N CB -1.018 37.471 38.487 0.002 0.000 0.968 196 N HN 0.969 nan 8.380 nan 0.000 0.547 197 R N -1.326 119.175 120.500 0.002 0.000 2.680 197 R HA 0.441 4.781 4.340 -0.000 0.000 0.269 197 R C -1.522 174.779 176.300 0.001 0.000 1.026 197 R CA -1.065 55.036 56.100 0.002 0.000 0.889 197 R CB 1.337 31.639 30.300 0.002 0.000 1.241 197 R HN 0.015 nan 8.270 nan 0.000 0.463 198 E N 2.079 122.280 120.200 0.001 0.000 2.316 198 E HA 0.140 4.490 4.350 -0.000 0.000 0.275 198 E C -0.498 176.103 176.600 0.001 0.000 1.029 198 E CA -0.274 56.127 56.400 0.001 0.000 0.871 198 E CB 1.039 30.739 29.700 0.001 0.000 1.022 198 E HN 0.321 nan 8.360 nan 0.000 0.418 199 L N 3.880 125.104 121.223 0.001 0.000 2.397 199 L HA 0.146 4.486 4.340 -0.000 0.000 0.263 199 L C 1.199 178.069 176.870 0.001 0.000 1.136 199 L CA -0.173 54.668 54.840 0.001 0.000 1.019 199 L CB -0.134 41.926 42.059 0.002 0.000 1.352 199 L HN 0.684 nan 8.230 nan 0.000 0.420 200 T N -2.994 111.561 114.554 0.001 0.000 3.023 200 T HA 0.131 4.481 4.350 -0.000 0.000 0.249 200 T C 0.886 175.587 174.700 0.001 0.000 1.050 200 T CA -0.227 61.873 62.100 0.001 0.000 1.088 200 T CB 0.346 69.215 68.868 0.001 0.000 0.946 200 T HN 0.245 nan 8.240 nan 0.000 0.480 201 Q N 1.619 121.420 119.800 0.001 0.000 2.306 201 Q HA 0.324 4.664 4.340 -0.000 0.000 0.241 201 Q C -1.831 174.170 176.000 0.002 0.000 0.948 201 Q CA -2.377 53.427 55.803 0.002 0.000 0.886 201 Q CB 1.096 29.835 28.738 0.002 0.000 1.227 201 Q HN 0.085 nan 8.270 nan 0.000 0.457 202 P HA -0.168 nan 4.420 nan 0.000 0.216 202 P C 0.461 177.762 177.300 0.002 0.000 1.150 202 P CA 1.433 64.535 63.100 0.002 0.000 0.843 202 P CB 0.327 32.028 31.700 0.002 0.000 0.787 203 D N -2.141 118.261 120.400 0.002 0.000 2.339 203 D HA -0.054 4.586 4.640 -0.000 0.000 0.217 203 D C 1.193 177.495 176.300 0.003 0.000 1.050 203 D CA 0.219 54.221 54.000 0.003 0.000 0.856 203 D CB -0.420 40.382 40.800 0.002 0.000 0.922 203 D HN -0.085 nan 8.370 nan 0.000 0.518 204 D N -0.659 119.742 120.400 0.003 0.000 2.117 204 D HA -0.123 4.517 4.640 -0.000 0.000 0.197 204 D C 2.158 178.460 176.300 0.003 0.000 0.987 204 D CA 0.671 54.672 54.000 0.003 0.000 0.829 204 D CB -0.052 40.749 40.800 0.002 0.000 0.961 204 D HN 0.104 nan 8.370 nan 0.000 0.460 205 V N 0.943 120.859 119.914 0.003 0.000 2.295 205 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 205 V C 2.592 178.689 176.094 0.005 0.000 1.049 205 V CA 1.673 63.976 62.300 0.004 0.000 1.024 205 V CB -0.436 31.389 31.823 0.004 0.000 0.648 205 V HN 0.165 nan 8.190 nan 0.000 0.447 206 R N 0.208 120.711 120.500 0.005 0.000 2.083 206 R HA -0.206 4.134 4.340 -0.000 0.000 0.237 206 R C 2.421 178.724 176.300 0.005 0.000 1.137 206 R CA 1.923 58.026 56.100 0.005 0.000 0.951 206 R CB -0.213 30.090 30.300 0.005 0.000 0.851 206 R HN 0.471 nan 8.270 nan 0.000 0.434 207 K N -0.212 120.191 120.400 0.004 0.000 2.057 207 K HA -0.109 4.211 4.320 -0.000 0.000 0.207 207 K C 2.103 178.705 176.600 0.004 0.000 1.049 207 K CA 1.442 57.731 56.287 0.004 0.000 0.931 207 K CB -0.140 32.362 32.500 0.003 0.000 0.714 207 K HN 0.236 nan 8.250 nan 0.000 0.440 208 A N 1.425 124.247 122.820 0.004 0.000 1.877 208 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 208 A C 2.365 179.953 177.584 0.005 0.000 1.186 208 A CA 1.846 53.886 52.037 0.004 0.000 0.620 208 A CB -0.711 18.291 19.000 0.004 0.000 0.822 208 A HN 0.336 nan 8.150 nan 0.000 0.443 209 A N -1.064 121.760 122.820 0.006 0.000 1.877 209 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 209 A C 2.160 179.749 177.584 0.007 0.000 1.186 209 A CA 2.116 54.157 52.037 0.007 0.000 0.620 209 A CB -0.551 18.453 19.000 0.008 0.000 0.822 209 A HN 0.519 nan 8.150 nan 0.000 0.443 210 Q N -0.052 119.752 119.800 0.007 0.000 2.124 210 Q HA -0.184 4.156 4.340 -0.000 0.000 0.202 210 Q C 1.920 177.923 176.000 0.006 0.000 0.977 210 Q CA 2.127 57.934 55.803 0.006 0.000 0.850 210 Q CB -0.325 28.417 28.738 0.006 0.000 0.901 210 Q HN 0.782 nan 8.270 nan 0.000 0.429 211 E N -0.507 119.696 120.200 0.005 0.000 2.077 211 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 211 E C 1.810 178.413 176.600 0.006 0.000 0.989 211 E CA 1.297 57.700 56.400 0.005 0.000 0.800 211 E CB -0.177 29.526 29.700 0.005 0.000 0.746 211 E HN 0.505 nan 8.360 nan 0.000 0.452 212 I N 0.330 120.903 120.570 0.006 0.000 2.226 212 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 212 I C 2.334 178.455 176.117 0.007 0.000 1.100 212 I CA 0.680 61.984 61.300 0.007 0.000 1.374 212 I CB -0.099 37.906 38.000 0.007 0.000 1.057 212 I HN 0.071 nan 8.210 nan 0.000 0.413 213 V N 0.971 120.889 119.914 0.008 0.000 2.307 213 V HA -0.280 3.840 4.120 -0.000 0.000 0.245 213 V C 1.947 178.046 176.094 0.007 0.000 1.045 213 V CA 2.268 64.573 62.300 0.008 0.000 1.024 213 V CB -0.945 30.883 31.823 0.009 0.000 0.651 213 V HN 0.475 nan 8.190 nan 0.000 0.449 214 N N 0.854 119.558 118.700 0.006 0.000 2.223 214 N HA -0.153 4.586 4.740 -0.000 0.000 0.185 214 N C 1.771 177.285 175.510 0.005 0.000 1.016 214 N CA 1.429 54.483 53.050 0.006 0.000 0.863 214 N CB -0.163 38.327 38.487 0.005 0.000 0.983 214 N HN 0.595 nan 8.380 nan 0.000 0.429 215 S N -0.362 115.342 115.700 0.006 0.000 2.607 215 S HA 0.163 4.633 4.470 -0.000 0.000 0.224 215 S C 1.526 176.130 174.600 0.006 0.000 0.969 215 S CA 0.421 58.625 58.200 0.005 0.000 0.927 215 S CB 0.190 63.394 63.200 0.005 0.000 0.772 215 S HN 0.454 nan 8.310 nan 0.000 0.533 216 G N 1.546 110.350 108.800 0.007 0.000 2.159 216 G HA2 -0.321 3.638 3.960 -0.000 0.000 0.256 216 G HA3 -0.321 3.638 3.960 -0.000 0.000 0.256 216 G C 0.792 175.696 174.900 0.008 0.000 0.977 216 G CA 0.562 45.666 45.100 0.007 0.000 0.652 216 G HN 0.552 nan 8.290 nan 0.000 0.531 217 K N 0.026 120.431 120.400 0.008 0.000 2.026 217 K HA 0.337 4.657 4.320 -0.000 0.000 0.208 217 K C 1.332 177.939 176.600 0.010 0.000 1.048 217 K CA 1.466 57.758 56.287 0.009 0.000 0.929 217 K CB 0.015 32.520 32.500 0.009 0.000 0.713 217 K HN 0.880 nan 8.250 nan 0.000 0.439 218 A N 0.253 123.079 122.820 0.010 0.000 2.475 218 A HA 0.339 4.659 4.320 -0.000 0.000 0.301 218 A C -0.224 177.367 177.584 0.011 0.000 1.059 218 A CA -0.716 51.328 52.037 0.012 0.000 0.710 218 A CB 1.566 20.573 19.000 0.012 0.000 1.288 218 A HN 0.011 nan 8.150 nan 0.000 0.408 219 K N 0.040 120.447 120.400 0.012 0.000 2.228 219 K HA 0.049 4.369 4.320 -0.000 0.000 0.202 219 K C 0.135 176.743 176.600 0.013 0.000 1.051 219 K CA 1.035 57.329 56.287 0.012 0.000 0.960 219 K CB 0.096 32.604 32.500 0.012 0.000 0.743 219 K HN 0.618 nan 8.250 nan 0.000 0.458 220 R N 0.192 120.700 120.500 0.014 0.000 2.604 220 R HA 0.406 4.746 4.340 -0.000 0.000 0.281 220 R C -1.595 174.714 176.300 0.015 0.000 1.020 220 R CA -0.621 55.488 56.100 0.015 0.000 0.899 220 R CB 2.661 32.972 30.300 0.018 0.000 1.205 220 R HN -0.211 nan 8.270 nan 0.000 0.450 221 V N 3.085 123.008 119.914 0.015 0.000 2.483 221 V HA 0.354 4.474 4.120 -0.000 0.000 0.297 221 V C -0.700 175.403 176.094 0.015 0.000 1.027 221 V CA -0.785 61.523 62.300 0.014 0.000 0.855 221 V CB 2.111 33.941 31.823 0.011 0.000 0.995 221 V HN 0.485 nan 8.190 nan 0.000 0.424 222 V N 5.959 125.882 119.914 0.015 0.000 2.304 222 V HA 0.333 4.453 4.120 -0.000 0.000 0.278 222 V C -0.012 176.089 176.094 0.012 0.000 1.018 222 V CA -0.598 61.711 62.300 0.016 0.000 0.814 222 V CB 1.758 33.592 31.823 0.019 0.000 1.021 222 V HN 0.629 nan 8.190 nan 0.000 0.440 223 V N 3.885 123.805 119.914 0.011 0.000 2.455 223 V HA 0.211 4.331 4.120 -0.000 0.000 0.273 223 V C 0.836 176.934 176.094 0.006 0.000 1.045 223 V CA 0.166 62.470 62.300 0.007 0.000 0.976 223 V CB 1.441 33.268 31.823 0.007 0.000 0.993 223 V HN 0.829 nan 8.190 nan 0.000 0.475 224 S N 4.925 120.626 115.700 0.003 0.000 2.499 224 S HA 0.478 4.948 4.470 -0.000 0.000 0.275 224 S C 0.345 174.945 174.600 -0.001 0.000 1.257 224 S CA -0.522 57.678 58.200 0.000 0.000 1.050 224 S CB 0.205 63.403 63.200 -0.004 0.000 0.937 224 S HN 0.635 nan 8.310 nan 0.000 0.490 225 L N 5.053 126.276 121.223 -0.000 0.000 3.168 225 L HA 0.354 4.694 4.340 -0.000 0.000 0.277 225 L C 1.452 178.321 176.870 -0.003 0.000 1.245 225 L CA -0.065 54.775 54.840 -0.000 0.000 1.035 225 L CB -0.593 41.468 42.059 0.003 0.000 1.399 225 L HN 1.027 nan 8.230 nan 0.000 0.580 226 G N 1.735 110.531 108.800 -0.007 0.000 2.596 226 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.304 226 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.304 226 G C -1.512 173.384 174.900 -0.007 0.000 1.189 226 G CA 0.369 45.462 45.100 -0.010 0.000 0.986 226 G HN 0.295 nan 8.290 nan 0.000 0.548 227 P HA 0.079 nan 4.420 nan 0.000 0.223 227 P C 1.511 178.812 177.300 0.003 0.000 1.151 227 P CA 1.493 64.591 63.100 -0.004 0.000 0.787 227 P CB -0.024 31.673 31.700 -0.005 0.000 0.788 228 Q N -0.774 119.028 119.800 0.003 0.000 2.322 228 Q HA 0.251 4.591 4.340 -0.000 0.000 0.203 228 Q C 1.169 177.176 176.000 0.011 0.000 0.923 228 Q CA 0.287 56.095 55.803 0.008 0.000 0.949 228 Q CB -0.179 28.562 28.738 0.006 0.000 1.039 228 Q HN 0.192 nan 8.270 nan 0.000 0.496 229 G N 1.298 110.104 108.800 0.011 0.000 2.527 229 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.262 229 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.262 229 G C -0.473 174.434 174.900 0.012 0.000 1.153 229 G CA -0.387 44.721 45.100 0.015 0.000 0.954 229 G HN 0.622 nan 8.290 nan 0.000 0.552 230 A N -1.139 121.691 122.820 0.017 0.000 2.549 230 A HA 0.795 5.115 4.320 -0.000 0.000 0.297 230 A C -0.985 176.610 177.584 0.018 0.000 1.061 230 A CA 0.303 52.350 52.037 0.016 0.000 0.690 230 A CB 1.830 20.841 19.000 0.019 0.000 1.287 230 A HN 1.927 nan 8.150 nan 0.000 0.402 231 L N 2.170 123.402 121.223 0.015 0.000 2.319 231 L HA 0.755 5.095 4.340 -0.000 0.000 0.281 231 L C 0.198 177.078 176.870 0.016 0.000 1.005 231 L CA -0.272 54.577 54.840 0.015 0.000 0.828 231 L CB 1.455 43.521 42.059 0.011 0.000 1.227 231 L HN 0.902 nan 8.230 nan 0.000 0.415 232 G N 4.087 112.898 108.800 0.019 0.000 2.452 232 G HA2 0.618 4.577 3.960 -0.000 0.000 0.324 232 G HA3 0.618 4.577 3.960 -0.000 0.000 0.324 232 G C -1.264 173.647 174.900 0.018 0.000 1.214 232 G CA -0.454 44.658 45.100 0.020 0.000 0.947 232 G HN 0.614 nan 8.290 nan 0.000 0.478 233 V N -0.032 119.892 119.914 0.016 0.000 2.841 233 V HA 0.875 4.995 4.120 -0.000 0.000 0.310 233 V C -0.933 175.169 176.094 0.014 0.000 1.090 233 V CA -0.959 61.349 62.300 0.013 0.000 0.930 233 V CB 1.887 33.716 31.823 0.011 0.000 1.014 233 V HN 0.843 nan 8.190 nan 0.000 0.425 234 D N 2.412 122.820 120.400 0.013 0.000 2.808 234 D HA 0.407 5.047 4.640 -0.000 0.000 0.249 234 D C 1.301 177.607 176.300 0.010 0.000 1.151 234 D CA 0.272 54.279 54.000 0.012 0.000 1.089 234 D CB 0.730 41.537 40.800 0.013 0.000 1.295 234 D HN 0.712 nan 8.370 nan 0.000 0.631 235 S N -1.523 114.182 115.700 0.009 0.000 2.474 235 S HA -0.061 4.409 4.470 -0.000 0.000 0.235 235 S C 1.032 175.636 174.600 0.006 0.000 0.997 235 S CA 0.905 59.109 58.200 0.007 0.000 0.949 235 S CB -0.391 62.813 63.200 0.007 0.000 0.766 235 S HN 0.528 nan 8.310 nan 0.000 0.517 236 E N 0.311 120.515 120.200 0.007 0.000 2.399 236 E HA 0.247 4.596 4.350 -0.000 0.000 0.206 236 E C -0.271 176.332 176.600 0.006 0.000 0.812 236 E CA -0.035 56.368 56.400 0.006 0.000 1.138 236 E CB 0.352 30.056 29.700 0.005 0.000 1.140 236 E HN 0.528 nan 8.360 nan 0.000 0.536 237 N N -0.476 118.228 118.700 0.008 0.000 2.457 237 N HA 0.432 5.172 4.740 -0.000 0.000 0.290 237 N C -1.464 174.051 175.510 0.009 0.000 1.232 237 N CA -0.514 52.540 53.050 0.008 0.000 0.852 237 N CB 2.655 41.148 38.487 0.009 0.000 1.313 237 N HN -0.025 nan 8.380 nan 0.000 0.522 238 C N 1.524 120.829 119.300 0.009 0.000 2.752 238 C HA 0.728 5.188 4.460 -0.000 0.000 0.360 238 C C -1.566 173.430 174.990 0.010 0.000 1.081 238 C CA -0.577 58.447 59.018 0.010 0.000 1.272 238 C CB -0.620 27.124 27.740 0.008 0.000 1.754 238 C HN 0.782 nan 8.230 nan 0.000 0.483 239 I N 5.248 125.827 120.570 0.014 0.000 2.644 239 I HA 0.441 4.611 4.170 -0.000 0.000 0.291 239 I C -1.054 175.073 176.117 0.017 0.000 1.180 239 I CA -0.056 61.253 61.300 0.014 0.000 1.040 239 I CB 1.841 39.852 38.000 0.019 0.000 1.255 239 I HN 0.868 nan 8.210 nan 0.000 0.422 240 Q N 6.466 126.274 119.800 0.013 0.000 2.307 240 Q HA 0.619 4.959 4.340 -0.000 0.000 0.262 240 Q C -1.991 174.020 176.000 0.018 0.000 0.961 240 Q CA -0.670 55.142 55.803 0.015 0.000 0.882 240 Q CB 1.968 30.713 28.738 0.012 0.000 1.264 240 Q HN 0.590 nan 8.270 nan 0.000 0.446 241 V N 4.559 124.488 119.914 0.026 0.000 2.417 241 V HA 0.433 4.552 4.120 -0.000 0.000 0.291 241 V C -0.470 175.644 176.094 0.035 0.000 1.024 241 V CA -0.736 61.584 62.300 0.032 0.000 0.861 241 V CB 1.790 33.642 31.823 0.049 0.000 0.985 241 V HN 0.621 nan 8.190 nan 0.000 0.436 242 V N 7.011 126.949 119.914 0.039 0.000 2.435 242 V HA 0.442 4.562 4.120 -0.000 0.000 0.290 242 V C -2.175 173.960 176.094 0.068 0.000 1.030 242 V CA -1.864 60.462 62.300 0.044 0.000 0.881 242 V CB 1.833 33.679 31.823 0.039 0.000 0.983 242 V HN 0.761 nan 8.190 nan 0.000 0.445 243 P HA 0.330 nan 4.420 nan 0.000 0.272 243 P C -2.651 174.693 177.300 0.074 0.000 1.230 243 P CA -1.298 61.841 63.100 0.065 0.000 0.788 243 P CB -0.227 31.489 31.700 0.027 0.000 0.949 244 P HA 0.221 nan 4.420 nan 0.000 0.272 244 P C -2.323 174.951 177.300 -0.044 0.000 1.240 244 P CA -1.349 61.744 63.100 -0.013 0.000 0.791 244 P CB -1.098 30.460 31.700 -0.237 0.000 0.978 245 P HA 0.076 nan 4.420 nan 0.000 0.238 245 P C -0.369 176.892 177.300 -0.065 0.000 1.794 245 P CA 0.013 63.086 63.100 -0.046 0.000 1.088 245 P CB -0.221 31.459 31.700 -0.033 0.000 1.923 246 V N -1.332 118.545 119.914 -0.062 0.000 3.369 246 V HA 0.831 4.951 4.120 -0.000 0.000 0.301 246 V C 1.105 177.175 176.094 -0.041 0.000 1.184 246 V CA -0.826 61.436 62.300 -0.062 0.000 1.013 246 V CB -0.263 31.517 31.823 -0.072 0.000 1.230 246 V HN 0.249 nan 8.190 nan 0.000 0.464 247 K N 0.144 120.521 120.400 -0.038 0.000 2.643 247 K HA 0.434 4.754 4.320 -0.000 0.000 0.289 247 K C 0.829 177.415 176.600 -0.023 0.000 1.110 247 K CA 0.778 57.048 56.287 -0.027 0.000 0.890 247 K CB -1.039 31.446 32.500 -0.026 0.000 1.010 247 K HN 2.512 nan 8.250 nan 0.000 0.478 248 S N -1.757 113.932 115.700 -0.018 0.000 3.040 248 S HA 0.093 4.563 4.470 -0.000 0.000 0.135 248 S C 0.586 175.181 174.600 -0.008 0.000 0.857 248 S CA 0.201 58.392 58.200 -0.016 0.000 0.850 248 S CB -0.361 62.831 63.200 -0.012 0.000 1.514 248 S HN 0.563 nan 8.310 nan 0.000 0.622 249 Q N 1.265 121.055 119.800 -0.017 0.000 2.083 249 Q HA 0.062 4.402 4.340 -0.000 0.000 0.198 249 Q C 0.525 176.513 176.000 -0.020 0.000 0.969 249 Q CA 1.429 57.221 55.803 -0.018 0.000 0.838 249 Q CB 0.116 28.823 28.738 -0.050 0.000 0.900 249 Q HN 0.827 nan 8.270 nan 0.000 0.436 250 S N -0.721 114.958 115.700 -0.034 0.000 2.382 250 S HA 0.086 4.555 4.470 -0.000 0.000 0.228 250 S C 0.356 174.933 174.600 -0.039 0.000 0.996 250 S CA -0.073 58.108 58.200 -0.031 0.000 1.094 250 S CB 0.767 63.933 63.200 -0.057 0.000 1.209 250 S HN 0.283 nan 8.310 nan 0.000 0.420 251 T N 1.417 115.950 114.554 -0.034 0.000 3.025 251 T HA -0.044 4.306 4.350 -0.000 0.000 0.270 251 T C 1.719 176.393 174.700 -0.043 0.000 1.126 251 T CA 1.461 63.538 62.100 -0.039 0.000 1.105 251 T CB -0.341 68.502 68.868 -0.042 0.000 0.884 251 T HN 0.457 nan 8.240 nan 0.000 0.522 252 V N 1.712 121.599 119.914 -0.045 0.000 2.261 252 V HA 0.039 4.159 4.120 -0.000 0.000 0.246 252 V C 2.825 178.886 176.094 -0.055 0.000 1.047 252 V CA 2.054 64.328 62.300 -0.044 0.000 1.015 252 V CB -1.122 30.675 31.823 -0.043 0.000 0.642 252 V HN 0.698 nan 8.190 nan 0.000 0.446 253 G N -1.551 107.206 108.800 -0.071 0.000 3.181 253 G HA2 0.228 4.188 3.960 -0.000 0.000 0.219 253 G HA3 0.228 4.188 3.960 -0.000 0.000 0.219 253 G C 1.431 176.288 174.900 -0.071 0.000 1.182 253 G CA 0.671 45.724 45.100 -0.078 0.000 0.791 253 G HN 0.555 nan 8.290 nan 0.000 0.537 254 A N 0.900 123.685 122.820 -0.059 0.000 1.873 254 A HA 0.169 4.489 4.320 -0.000 0.000 0.215 254 A C 2.610 180.162 177.584 -0.054 0.000 1.186 254 A CA 1.945 53.948 52.037 -0.056 0.000 0.616 254 A CB -0.875 18.098 19.000 -0.046 0.000 0.823 254 A HN 0.427 nan 8.150 nan 0.000 0.442 255 G N 0.048 108.821 108.800 -0.045 0.000 2.480 255 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.216 255 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.216 255 G C 1.124 175.999 174.900 -0.042 0.000 1.200 255 G CA 1.251 46.328 45.100 -0.037 0.000 0.782 255 G HN 0.454 nan 8.290 nan 0.000 0.554 256 D N 0.512 120.882 120.400 -0.049 0.000 2.178 256 D HA -0.044 4.595 4.640 -0.000 0.000 0.201 256 D C 2.849 179.107 176.300 -0.071 0.000 0.980 256 D CA 1.088 55.055 54.000 -0.055 0.000 0.842 256 D CB -0.260 40.502 40.800 -0.063 0.000 0.948 256 D HN 0.256 nan 8.370 nan 0.000 0.472 257 S N 0.453 116.102 115.700 -0.086 0.000 2.368 257 S HA -0.131 4.339 4.470 -0.000 0.000 0.224 257 S C 1.894 176.434 174.600 -0.101 0.000 1.029 257 S CA 0.746 58.882 58.200 -0.107 0.000 0.988 257 S CB -0.139 62.993 63.200 -0.113 0.000 0.838 257 S HN 0.291 nan 8.310 nan 0.000 0.462 258 M N 1.401 120.953 119.600 -0.080 0.000 2.086 258 M HA -0.117 4.363 4.480 -0.000 0.000 0.261 258 M C 1.892 178.169 176.300 -0.039 0.000 1.067 258 M CA 1.572 56.832 55.300 -0.066 0.000 1.116 258 M CB -0.328 32.246 32.600 -0.043 0.000 1.348 258 M HN 0.144 nan 8.290 nan 0.000 0.407 259 V N 0.575 120.472 119.914 -0.029 0.000 2.343 259 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 259 V C 2.620 178.711 176.094 -0.005 0.000 1.051 259 V CA 2.060 64.354 62.300 -0.010 0.000 1.036 259 V CB -1.792 30.026 31.823 -0.008 0.000 0.654 259 V HN 0.757 nan 8.190 nan 0.000 0.451 260 G N -0.376 108.409 108.800 -0.024 0.000 2.421 260 G HA2 -0.216 3.743 3.960 -0.000 0.000 0.216 260 G HA3 -0.216 3.743 3.960 -0.000 0.000 0.216 260 G C 1.780 176.690 174.900 0.018 0.000 1.171 260 G CA 1.079 46.170 45.100 -0.016 0.000 0.775 260 G HN 0.609 nan 8.290 nan 0.000 0.543 261 A N 0.612 123.426 122.820 -0.010 0.000 1.902 261 A HA 0.035 4.355 4.320 -0.000 0.000 0.217 261 A C 2.485 180.189 177.584 0.200 0.000 1.181 261 A CA 1.841 53.912 52.037 0.058 0.000 0.623 261 A CB -0.357 18.492 19.000 -0.251 0.000 0.818 261 A HN 0.383 nan 8.150 nan 0.000 0.443 262 M N -0.911 118.747 119.600 0.097 0.000 2.175 262 M HA -0.113 4.366 4.480 -0.000 0.000 0.264 262 M C 2.187 178.528 176.300 0.068 0.000 1.063 262 M CA 1.862 57.217 55.300 0.091 0.000 1.119 262 M CB -0.807 31.826 32.600 0.055 0.000 1.377 262 M HN 0.416 nan 8.290 nan 0.000 0.415 263 T N 1.426 116.012 114.554 0.053 0.000 2.788 263 T HA -0.103 4.247 4.350 -0.000 0.000 0.268 263 T C 1.853 176.576 174.700 0.038 0.000 1.044 263 T CA 0.936 63.060 62.100 0.040 0.000 1.139 263 T CB -0.243 68.645 68.868 0.033 0.000 0.867 263 T HN 0.328 nan 8.240 nan 0.000 0.454 264 L N 0.519 121.777 121.223 0.058 0.000 2.012 264 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 264 L C 2.621 179.485 176.870 -0.009 0.000 1.073 264 L CA 1.452 56.317 54.840 0.042 0.000 0.748 264 L CB -0.235 41.887 42.059 0.105 0.000 0.891 264 L HN 0.135 nan 8.230 nan 0.000 0.431 265 K N -0.217 120.177 120.400 -0.011 0.000 2.057 265 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 265 K C 1.996 178.580 176.600 -0.027 0.000 1.050 265 K CA 0.913 57.158 56.287 -0.070 0.000 0.935 265 K CB -0.576 31.884 32.500 -0.067 0.000 0.715 265 K HN 0.321 nan 8.250 nan 0.000 0.439 266 L N 0.768 121.994 121.223 0.004 0.000 2.042 266 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 266 L C 2.224 179.097 176.870 0.004 0.000 1.076 266 L CA 1.604 56.450 54.840 0.009 0.000 0.749 266 L CB -0.471 41.600 42.059 0.021 0.000 0.893 266 L HN 0.113 nan 8.230 nan 0.000 0.432 267 A N -0.402 122.420 122.820 0.003 0.000 1.972 267 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 267 A C 1.847 179.425 177.584 -0.010 0.000 1.169 267 A CA 1.585 53.623 52.037 0.002 0.000 0.635 267 A CB -0.400 18.601 19.000 0.001 0.000 0.810 267 A HN 0.593 nan 8.150 nan 0.000 0.446 268 E N -0.816 119.368 120.200 -0.026 0.000 2.476 268 E HA -0.001 4.348 4.350 -0.000 0.000 0.191 268 E C 0.107 176.691 176.600 -0.027 0.000 1.064 268 E CA 0.043 56.422 56.400 -0.035 0.000 0.866 268 E CB -0.051 29.610 29.700 -0.066 0.000 0.952 268 E HN 0.539 nan 8.360 nan 0.000 0.492 269 N N 0.401 119.091 118.700 -0.016 0.000 2.740 269 N HA -0.206 4.534 4.740 -0.000 0.000 0.248 269 N C -0.785 174.717 175.510 -0.013 0.000 1.062 269 N CA 0.651 53.696 53.050 -0.009 0.000 0.704 269 N CB -1.163 37.320 38.487 -0.006 0.000 0.968 269 N HN 0.313 nan 8.380 nan 0.000 0.547 270 A N -0.297 122.512 122.820 -0.020 0.000 2.280 270 A HA 0.617 4.936 4.320 -0.000 0.000 0.268 270 A C 0.862 178.446 177.584 0.000 0.000 1.111 270 A CA 0.218 52.244 52.037 -0.018 0.000 0.814 270 A CB 0.173 19.149 19.000 -0.040 0.000 1.093 270 A HN 0.935 nan 8.150 nan 0.000 0.498 271 S N -0.601 115.105 115.700 0.009 0.000 2.603 271 S HA 0.237 4.707 4.470 -0.000 0.000 0.268 271 S C 1.017 175.634 174.600 0.027 0.000 1.317 271 S CA 0.024 58.234 58.200 0.017 0.000 1.012 271 S CB 0.550 63.761 63.200 0.019 0.000 0.926 271 S HN 1.132 nan 8.310 nan 0.000 0.539 272 L N 1.333 122.572 121.223 0.026 0.000 2.043 272 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 272 L C 2.631 179.529 176.870 0.047 0.000 1.075 272 L CA 2.183 57.043 54.840 0.032 0.000 0.752 272 L CB -0.956 41.117 42.059 0.025 0.000 0.891 272 L HN 0.896 nan 8.230 nan 0.000 0.432 273 E N -0.689 119.538 120.200 0.045 0.000 2.107 273 E HA -0.242 4.108 4.350 -0.000 0.000 0.191 273 E C 1.961 178.622 176.600 0.103 0.000 0.982 273 E CA 1.430 57.865 56.400 0.057 0.000 0.809 273 E CB -0.600 29.120 29.700 0.034 0.000 0.756 273 E HN 0.671 nan 8.360 nan 0.000 0.459 274 E N 0.831 121.095 120.200 0.107 0.000 2.051 274 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 274 E C 2.166 178.876 176.600 0.183 0.000 0.991 274 E CA 1.319 57.828 56.400 0.181 0.000 0.799 274 E CB -0.197 29.565 29.700 0.103 0.000 0.748 274 E HN 0.214 nan 8.360 nan 0.000 0.449 275 M N 0.583 120.246 119.600 0.106 0.000 2.065 275 M HA -0.194 4.285 4.480 -0.000 0.000 0.259 275 M C 2.198 178.579 176.300 0.135 0.000 1.069 275 M CA 1.557 56.918 55.300 0.102 0.000 1.110 275 M CB 0.003 32.640 32.600 0.062 0.000 1.328 275 M HN 0.007 nan 8.290 nan 0.000 0.405 276 V N 0.415 120.397 119.914 0.114 0.000 2.358 276 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 276 V C 2.416 178.592 176.094 0.137 0.000 1.047 276 V CA 1.860 64.220 62.300 0.100 0.000 1.035 276 V CB -0.890 30.975 31.823 0.070 0.000 0.658 276 V HN 0.491 nan 8.190 nan 0.000 0.452 277 R N -1.212 119.408 120.500 0.201 0.000 2.081 277 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 277 R C 2.241 178.776 176.300 0.392 0.000 1.131 277 R CA 1.791 58.058 56.100 0.279 0.000 0.960 277 R CB -0.416 30.066 30.300 0.303 0.000 0.856 277 R HN 0.472 nan 8.270 nan 0.000 0.436 278 F N 0.636 120.681 119.950 0.159 0.000 2.186 278 F HA -0.034 4.493 4.527 -0.000 0.000 0.299 278 F C 2.178 177.942 175.800 -0.060 0.000 1.090 278 F CA 1.477 59.389 58.000 -0.146 0.000 1.307 278 F CB -0.648 38.109 39.000 -0.405 0.000 1.019 278 F HN 0.011 nan 8.300 nan 0.000 0.489 279 G N -0.552 108.281 108.800 0.054 0.000 2.418 279 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.217 279 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.217 279 G C 1.769 176.639 174.900 -0.050 0.000 1.158 279 G CA 1.153 46.236 45.100 -0.027 0.000 0.771 279 G HN 0.304 nan 8.290 nan 0.000 0.545 280 V N 1.318 121.236 119.914 0.008 0.000 2.453 280 V HA -0.020 4.100 4.120 -0.000 0.000 0.247 280 V C 3.271 179.358 176.094 -0.011 0.000 1.048 280 V CA 1.699 64.004 62.300 0.009 0.000 1.049 280 V CB -0.574 31.277 31.823 0.047 0.000 0.672 280 V HN 0.465 nan 8.190 nan 0.000 0.457 281 A N 0.320 123.138 122.820 -0.004 0.000 1.883 281 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 281 A C 2.424 179.921 177.584 -0.146 0.000 1.186 281 A CA 2.309 54.328 52.037 -0.030 0.000 0.624 281 A CB -0.819 18.204 19.000 0.039 0.000 0.822 281 A HN 0.558 nan 8.150 nan 0.000 0.444 282 A N -0.678 121.977 122.820 -0.276 0.000 1.898 282 A HA 0.172 4.492 4.320 -0.000 0.000 0.216 282 A C 2.433 179.924 177.584 -0.155 0.000 1.181 282 A CA 1.851 53.720 52.037 -0.280 0.000 0.620 282 A CB -1.393 17.374 19.000 -0.388 0.000 0.819 282 A HN 0.756 nan 8.150 nan 0.000 0.442 283 G N -0.949 107.780 108.800 -0.118 0.000 2.422 283 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.218 283 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.218 283 G C 1.930 176.793 174.900 -0.062 0.000 1.146 283 G CA 1.505 46.558 45.100 -0.078 0.000 0.769 283 G HN 0.546 nan 8.290 nan 0.000 0.547 284 S N 0.609 116.277 115.700 -0.055 0.000 2.355 284 S HA 0.091 4.561 4.470 -0.000 0.000 0.222 284 S C 2.774 177.345 174.600 -0.048 0.000 1.031 284 S CA 1.480 59.656 58.200 -0.041 0.000 0.993 284 S CB -0.487 62.699 63.200 -0.023 0.000 0.859 284 S HN 0.542 nan 8.310 nan 0.000 0.453 285 A N 1.440 124.223 122.820 -0.061 0.000 1.948 285 A HA 0.054 4.374 4.320 -0.000 0.000 0.220 285 A C 2.419 179.973 177.584 -0.050 0.000 1.177 285 A CA 2.010 54.013 52.037 -0.058 0.000 0.636 285 A CB -1.341 17.613 19.000 -0.077 0.000 0.815 285 A HN 0.763 nan 8.150 nan 0.000 0.449 286 A N -0.356 122.429 122.820 -0.059 0.000 1.972 286 A HA -0.098 4.221 4.320 -0.000 0.000 0.219 286 A C 2.363 179.917 177.584 -0.050 0.000 1.169 286 A CA 2.376 54.381 52.037 -0.054 0.000 0.635 286 A CB -1.343 17.617 19.000 -0.066 0.000 0.810 286 A HN 0.868 nan 8.150 nan 0.000 0.446 287 T N -1.993 112.532 114.554 -0.047 0.000 3.072 287 T HA 0.079 4.428 4.350 -0.000 0.000 0.266 287 T C 1.572 176.247 174.700 -0.042 0.000 1.127 287 T CA 1.111 63.185 62.100 -0.043 0.000 1.107 287 T CB -0.458 68.388 68.868 -0.037 0.000 0.910 287 T HN 0.333 nan 8.240 nan 0.000 0.513 288 L N 0.259 121.457 121.223 -0.041 0.000 2.313 288 L HA 0.193 4.533 4.340 -0.000 0.000 0.214 288 L C 1.244 178.087 176.870 -0.045 0.000 1.119 288 L CA 0.240 55.056 54.840 -0.040 0.000 0.809 288 L CB -0.449 41.588 42.059 -0.036 0.000 0.933 288 L HN 0.251 nan 8.230 nan 0.000 0.449 289 N N -0.115 118.557 118.700 -0.048 0.000 2.538 289 N HA 0.282 5.021 4.740 -0.000 0.000 0.292 289 N C 0.269 175.731 175.510 -0.081 0.000 1.262 289 N CA -0.106 52.910 53.050 -0.056 0.000 0.976 289 N CB 0.139 38.604 38.487 -0.037 0.000 1.161 289 N HN -0.003 nan 8.380 nan 0.000 0.598 290 Q N -0.581 119.161 119.800 -0.096 0.000 2.417 290 Q HA 0.381 4.721 4.340 -0.000 0.000 0.241 290 Q C 1.459 177.397 176.000 -0.104 0.000 1.008 290 Q CA 0.164 55.893 55.803 -0.124 0.000 0.901 290 Q CB -0.754 27.906 28.738 -0.130 0.000 1.259 290 Q HN 0.711 nan 8.270 nan 0.000 0.489 291 G N -0.099 108.635 108.800 -0.109 0.000 2.513 291 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.219 291 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.219 291 G C 1.509 176.308 174.900 -0.169 0.000 1.160 291 G CA 2.041 47.068 45.100 -0.122 0.000 0.767 291 G HN 1.141 nan 8.290 nan 0.000 0.571 292 T N -1.256 113.173 114.554 -0.207 0.000 3.085 292 T HA 0.217 4.567 4.350 -0.000 0.000 0.263 292 T C 1.141 175.776 174.700 -0.109 0.000 1.127 292 T CA 0.012 61.987 62.100 -0.209 0.000 1.103 292 T CB 0.142 68.873 68.868 -0.229 0.000 0.921 292 T HN 0.199 nan 8.240 nan 0.000 0.510 293 R N 0.889 121.344 120.500 -0.074 0.000 2.265 293 R HA 0.628 4.968 4.340 -0.000 0.000 0.319 293 R C -0.010 176.274 176.300 -0.026 0.000 1.006 293 R CA -0.529 55.565 56.100 -0.011 0.000 0.880 293 R CB 1.178 31.477 30.300 -0.002 0.000 1.077 293 R HN 0.234 nan 8.270 nan 0.000 0.454 294 L N 1.719 122.935 121.223 -0.012 0.000 2.744 294 L HA 0.379 4.719 4.340 -0.000 0.000 0.218 294 L C 0.557 177.436 176.870 0.015 0.000 1.190 294 L CA -1.048 53.754 54.840 -0.063 0.000 0.869 294 L CB 0.153 42.087 42.059 -0.209 0.000 1.652 294 L HN 0.707 nan 8.230 nan 0.000 0.519 295 C N -0.183 119.108 119.300 -0.015 0.000 2.676 295 C HA 0.402 4.861 4.460 -0.000 0.000 0.416 295 C C 0.789 175.852 174.990 0.122 0.000 1.299 295 C CA -1.231 57.791 59.018 0.005 0.000 2.048 295 C CB -0.479 27.215 27.740 -0.076 0.000 2.713 295 C HN 0.730 nan 8.230 nan 0.000 0.624 296 S N 0.079 115.820 115.700 0.068 0.000 2.608 296 S HA 0.322 4.791 4.470 -0.000 0.000 0.291 296 S C 0.572 175.216 174.600 0.073 0.000 1.146 296 S CA -0.014 58.234 58.200 0.081 0.000 1.043 296 S CB 0.689 63.907 63.200 0.031 0.000 1.037 296 S HN 0.981 nan 8.310 nan 0.000 0.520 297 H N 1.308 120.388 119.070 0.018 0.000 2.290 297 H HA -0.111 4.444 4.556 -0.000 0.000 0.298 297 H C 1.052 176.400 175.328 0.033 0.000 1.087 297 H CA 2.679 58.746 56.048 0.032 0.000 1.291 297 H CB -0.270 29.512 29.762 0.033 0.000 1.369 297 H HN 0.731 nan 8.280 nan 0.000 0.492 298 D N 0.018 120.485 120.400 0.112 0.000 2.117 298 D HA -0.126 4.514 4.640 -0.000 0.000 0.198 298 D C 1.779 178.074 176.300 -0.008 0.000 0.982 298 D CA 1.301 55.339 54.000 0.062 0.000 0.828 298 D CB -0.320 40.537 40.800 0.095 0.000 0.967 298 D HN 0.490 nan 8.370 nan 0.000 0.464 299 D N -0.227 120.167 120.400 -0.010 0.000 2.117 299 D HA -0.081 4.558 4.640 -0.000 0.000 0.198 299 D C 1.983 178.259 176.300 -0.041 0.000 0.982 299 D CA 1.097 55.084 54.000 -0.022 0.000 0.828 299 D CB -0.481 40.305 40.800 -0.023 0.000 0.967 299 D HN 0.153 nan 8.370 nan 0.000 0.464 300 T N 1.028 115.531 114.554 -0.085 0.000 2.684 300 T HA -0.217 4.133 4.350 -0.000 0.000 0.267 300 T C 1.899 176.568 174.700 -0.052 0.000 1.036 300 T CA 1.472 63.487 62.100 -0.141 0.000 1.148 300 T CB -0.250 68.455 68.868 -0.273 0.000 0.863 300 T HN 0.253 nan 8.240 nan 0.000 0.436 301 Q N 0.871 120.629 119.800 -0.071 0.000 2.084 301 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 301 Q C 2.362 178.431 176.000 0.116 0.000 0.978 301 Q CA 1.511 57.336 55.803 0.036 0.000 0.844 301 Q CB -0.106 28.553 28.738 -0.131 0.000 0.898 301 Q HN 0.445 nan 8.270 nan 0.000 0.426 302 K N 0.209 120.646 120.400 0.061 0.000 2.057 302 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 302 K C 2.028 178.692 176.600 0.107 0.000 1.050 302 K CA 1.250 57.580 56.287 0.071 0.000 0.935 302 K CB -0.092 32.428 32.500 0.033 0.000 0.715 302 K HN 0.297 nan 8.250 nan 0.000 0.439 303 I N 0.254 120.882 120.570 0.097 0.000 2.315 303 I HA -0.257 3.912 4.170 -0.000 0.000 0.248 303 I C 2.289 178.541 176.117 0.225 0.000 1.117 303 I CA 1.064 62.443 61.300 0.132 0.000 1.404 303 I CB -0.306 37.734 38.000 0.066 0.000 1.071 303 I HN 0.248 nan 8.210 nan 0.000 0.419 304 Y N 1.697 122.048 120.300 0.085 0.000 2.163 304 Y HA -0.275 4.275 4.550 -0.000 0.000 0.288 304 Y C 2.639 178.605 175.900 0.110 0.000 1.136 304 Y CA 1.614 59.788 58.100 0.124 0.000 1.147 304 Y CB -0.107 38.481 38.460 0.214 0.000 0.987 304 Y HN 0.106 nan 8.280 nan 0.000 0.509 305 A N -0.263 122.582 122.820 0.041 0.000 1.908 305 A HA -0.287 4.033 4.320 -0.000 0.000 0.218 305 A C 2.090 179.647 177.584 -0.046 0.000 1.181 305 A CA 1.844 53.843 52.037 -0.062 0.000 0.627 305 A CB -1.611 17.411 19.000 0.037 0.000 0.818 305 A HN 0.789 nan 8.150 nan 0.000 0.445 306 Y N 0.407 120.675 120.300 -0.053 0.000 2.145 306 Y HA -0.134 4.416 4.550 -0.000 0.000 0.286 306 Y C 1.897 177.760 175.900 -0.061 0.000 1.145 306 Y CA 1.908 59.981 58.100 -0.044 0.000 1.148 306 Y CB -0.294 38.155 38.460 -0.018 0.000 0.981 306 Y HN 0.191 nan 8.280 nan 0.000 0.507 307 L N -0.440 120.731 121.223 -0.087 0.000 2.265 307 L HA -0.181 4.159 4.340 -0.000 0.000 0.215 307 L C 1.826 178.541 176.870 -0.258 0.000 1.117 307 L CA 1.341 56.079 54.840 -0.170 0.000 0.782 307 L CB -0.426 41.657 42.059 0.041 0.000 0.914 307 L HN 0.162 nan 8.230 nan 0.000 0.441 308 S N -1.122 114.393 115.700 -0.310 0.000 2.597 308 S HA 0.159 4.628 4.470 -0.000 0.000 0.224 308 S C 0.847 175.302 174.600 -0.242 0.000 0.955 308 S CA -0.290 57.721 58.200 -0.316 0.000 0.933 308 S CB -0.004 62.891 63.200 -0.508 0.000 0.788 308 S HN 0.281 nan 8.310 nan 0.000 0.488 309 R N 0.000 120.342 120.500 -0.264 0.000 2.786 309 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 309 R CA 0.000 55.976 56.100 -0.207 0.000 0.921 309 R CB 0.000 30.152 30.300 -0.246 0.000 0.687 309 R HN 0.000 nan 8.270 nan 0.000 0.535