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 2wyo_1_B DATA FIRST_RESID 0 DATA SEQUENCE HMVLKLLLEL GAERYAEQFA AKCHELGMVM KESAGPGRVP VPVTLQPSMI DATA SEQUENCE SRGEFGTLCC MQPLWNEAVD NTARNFTFLR DALQETAASD VNFTGKLLNM DATA SEQUENCE LQEVYLSGGP FQQLMLGIFR TDYMREGVXX XXXXXXXXRW KNVEINTISC DATA SEQUENCE SFAGLSPLIT EFHQHIAAYL QVLQKARGKE DDDGVENMSW IWGKGNCRLE DATA SEQUENCE RSVSGDVVPK AIADAVRAWV EQQKFASLRA SWEQXXXXXX XXXXXXXLGV DATA SEQUENCE LDTAPVVLVV VQENERNTAD QYALLMRVLE EHRIRFIFRT LQELHLSLKL DATA SEQUENCE HSISPEQPPL AVVDGHYPIA VAYFRSTYVP EDFPTDATWA ARLSLERSSA DATA SEQUENCE IKCPSIPYHL LTFKKLQQLL CDVDRVLVPV AFCGDSDKAG LLQRHFVPQY DATA SEQUENCE SXXXXXXGEE AVEKVIHDVL QRPDQFXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXYVVMS RIQFHVSTGS LLARGDVVQL ERNMCSEVGI DATA SEQUENCE FGVILSAAKG SSVGTNGSSV LFNTFAGYTV RSKPADADDG GVMAGVAALD DATA SEQUENCE SLAVVP 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.379 175.328 0.084 0.000 0.993 0 H CA 0.000 56.098 56.048 0.083 0.000 1.023 0 H CB 0.000 29.804 29.762 0.071 0.000 1.292 1 M N 0.677 120.418 119.600 0.235 0.000 2.464 1 M HA 0.431 4.911 4.480 -0.000 0.000 0.308 1 M C 0.725 177.095 176.300 0.115 0.000 1.127 1 M CA -0.454 54.930 55.300 0.139 0.000 0.913 1 M CB 3.326 35.980 32.600 0.091 0.000 1.689 1 M HN 0.172 nan 8.290 nan 0.000 0.445 2 V N 1.336 121.312 119.914 0.104 0.000 2.374 2 V HA -0.107 4.013 4.120 -0.000 0.000 0.241 2 V C 1.795 177.908 176.094 0.031 0.000 1.034 2 V CA 1.067 63.414 62.300 0.078 0.000 1.037 2 V CB -0.302 31.594 31.823 0.121 0.000 0.682 2 V HN 0.864 nan 8.190 nan 0.000 0.463 3 L N 0.439 121.692 121.223 0.050 0.000 2.089 3 L HA -0.235 4.104 4.340 -0.000 0.000 0.213 3 L C 2.411 179.282 176.870 0.001 0.000 1.079 3 L CA 2.110 56.965 54.840 0.025 0.000 0.758 3 L CB -0.577 41.534 42.059 0.086 0.000 0.891 3 L HN 0.208 nan 8.230 nan 0.000 0.433 4 K N -0.899 119.514 120.400 0.022 0.000 2.062 4 K HA -0.122 4.198 4.320 -0.000 0.000 0.205 4 K C 2.150 178.748 176.600 -0.003 0.000 1.051 4 K CA 1.348 57.644 56.287 0.016 0.000 0.941 4 K CB -0.176 32.339 32.500 0.025 0.000 0.719 4 K HN 0.371 nan 8.250 nan 0.000 0.440 5 L N 0.899 122.119 121.223 -0.004 0.000 2.083 5 L HA -0.200 4.139 4.340 -0.000 0.000 0.209 5 L C 2.172 178.992 176.870 -0.083 0.000 1.083 5 L CA 0.658 55.481 54.840 -0.028 0.000 0.752 5 L CB -0.216 41.825 42.059 -0.031 0.000 0.899 5 L HN 0.181 nan 8.230 nan 0.000 0.433 6 L N -0.723 120.424 121.223 -0.127 0.000 2.191 6 L HA -0.216 4.123 4.340 -0.000 0.000 0.212 6 L C 2.214 178.995 176.870 -0.148 0.000 1.103 6 L CA 1.543 56.246 54.840 -0.227 0.000 0.769 6 L CB -0.512 41.258 42.059 -0.482 0.000 0.908 6 L HN 0.177 nan 8.230 nan 0.000 0.438 7 L N -1.424 119.757 121.223 -0.070 0.000 2.034 7 L HA -0.133 4.206 4.340 -0.000 0.000 0.203 7 L C 2.333 179.199 176.870 -0.007 0.000 1.074 7 L CA 0.996 55.833 54.840 -0.006 0.000 0.748 7 L CB -0.531 41.539 42.059 0.019 0.000 0.905 7 L HN 0.154 nan 8.230 nan 0.000 0.439 8 E N 0.226 120.418 120.200 -0.013 0.000 2.204 8 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 8 E C 1.894 178.483 176.600 -0.019 0.000 0.990 8 E CA 0.847 57.242 56.400 -0.008 0.000 0.821 8 E CB 0.030 29.729 29.700 -0.002 0.000 0.750 8 E HN 0.432 nan 8.360 nan 0.000 0.477 9 L N -0.632 120.566 121.223 -0.042 0.000 2.592 9 L HA 0.221 4.561 4.340 -0.000 0.000 0.227 9 L C 1.121 177.955 176.870 -0.061 0.000 1.127 9 L CA 0.288 55.091 54.840 -0.061 0.000 0.884 9 L CB -0.046 41.951 42.059 -0.103 0.000 1.065 9 L HN 0.280 nan 8.230 nan 0.000 0.457 10 G N 0.911 109.693 108.800 -0.030 0.000 2.147 10 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.244 10 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.244 10 G C 0.522 175.438 174.900 0.028 0.000 1.005 10 G CA 0.178 45.280 45.100 0.004 0.000 0.713 10 G HN 0.521 nan 8.290 nan 0.000 0.515 11 A N -0.578 122.247 122.820 0.008 0.000 2.492 11 A HA 0.583 4.903 4.320 -0.000 0.000 0.236 11 A C 0.590 178.341 177.584 0.277 0.000 1.078 11 A CA 1.138 53.235 52.037 0.099 0.000 0.773 11 A CB 0.462 19.463 19.000 0.002 0.000 1.023 11 A HN 0.937 nan 8.150 nan 0.000 0.504 12 E N 0.187 120.595 120.200 0.347 0.000 2.321 12 E HA 0.356 4.706 4.350 -0.000 0.000 0.281 12 E C -0.819 175.856 176.600 0.125 0.000 0.910 12 E CA -0.753 55.773 56.400 0.210 0.000 0.770 12 E CB 0.888 30.661 29.700 0.123 0.000 1.225 12 E HN 0.692 nan 8.360 nan 0.000 0.417 13 R N 2.621 123.102 120.500 -0.031 0.000 3.301 13 R HA -0.252 4.088 4.340 -0.000 0.000 0.249 13 R C 0.349 176.540 176.300 -0.181 0.000 0.964 13 R CA 1.266 57.285 56.100 -0.135 0.000 0.653 13 R CB -2.355 27.906 30.300 -0.066 0.000 1.043 13 R HN 0.572 nan 8.270 nan 0.000 0.454 14 Y N -3.264 116.924 120.300 -0.187 0.000 2.314 14 Y HA 0.243 4.793 4.550 -0.000 0.000 0.294 14 Y C 2.280 177.821 175.900 -0.599 0.000 1.119 14 Y CA 0.338 58.138 58.100 -0.499 0.000 1.179 14 Y CB -0.490 37.715 38.460 -0.425 0.000 1.025 14 Y HN 0.138 nan 8.280 nan 0.000 0.541 15 A N 1.329 123.865 122.820 -0.474 0.000 1.869 15 A HA -0.305 4.015 4.320 -0.000 0.000 0.218 15 A C 1.967 179.502 177.584 -0.080 0.000 1.203 15 A CA 2.449 54.389 52.037 -0.162 0.000 0.638 15 A CB -0.935 17.946 19.000 -0.199 0.000 0.831 15 A HN 0.491 nan 8.150 nan 0.000 0.450 16 E N -0.764 119.357 120.200 -0.132 0.000 2.130 16 E HA -0.237 4.112 4.350 -0.000 0.000 0.196 16 E C 2.153 178.731 176.600 -0.036 0.000 0.998 16 E CA 1.677 58.039 56.400 -0.064 0.000 0.806 16 E CB -0.279 29.375 29.700 -0.078 0.000 0.738 16 E HN 0.842 nan 8.360 nan 0.000 0.459 17 Q N -0.976 118.753 119.800 -0.119 0.000 2.137 17 Q HA -0.100 4.240 4.340 -0.000 0.000 0.198 17 Q C 1.426 177.474 176.000 0.080 0.000 0.960 17 Q CA 0.927 56.673 55.803 -0.094 0.000 0.847 17 Q CB -0.035 28.542 28.738 -0.269 0.000 0.915 17 Q HN 0.228 nan 8.270 nan 0.000 0.448 18 F N 0.402 120.409 119.950 0.094 0.000 2.259 18 F HA 0.090 4.616 4.527 -0.000 0.000 0.298 18 F C 2.328 178.230 175.800 0.170 0.000 1.088 18 F CA 0.642 58.757 58.000 0.193 0.000 1.358 18 F CB -1.109 38.095 39.000 0.340 0.000 1.040 18 F HN 0.197 nan 8.300 nan 0.000 0.505 19 A N 0.059 123.044 122.820 0.276 0.000 1.972 19 A HA -0.008 4.312 4.320 -0.000 0.000 0.219 19 A C 2.470 180.181 177.584 0.211 0.000 1.169 19 A CA 1.695 53.840 52.037 0.180 0.000 0.635 19 A CB -1.063 18.030 19.000 0.155 0.000 0.810 19 A HN 0.270 nan 8.150 nan 0.000 0.446 20 A N -0.313 122.612 122.820 0.175 0.000 1.897 20 A HA -0.060 4.260 4.320 -0.000 0.000 0.215 20 A C 2.053 179.707 177.584 0.116 0.000 1.181 20 A CA 2.099 54.223 52.037 0.145 0.000 0.620 20 A CB -0.345 18.698 19.000 0.072 0.000 0.821 20 A HN 0.385 nan 8.150 nan 0.000 0.443 21 K N -0.050 120.396 120.400 0.078 0.000 2.097 21 K HA -0.094 4.225 4.320 -0.000 0.000 0.206 21 K C 1.778 178.416 176.600 0.064 0.000 1.049 21 K CA 1.748 58.049 56.287 0.024 0.000 0.933 21 K CB -1.172 31.240 32.500 -0.146 0.000 0.717 21 K HN 0.473 nan 8.250 nan 0.000 0.442 22 C N 0.001 119.320 119.300 0.031 0.000 2.413 22 C HA -0.095 4.365 4.460 -0.000 0.000 0.276 22 C C 2.335 177.227 174.990 -0.163 0.000 1.236 22 C CA 1.204 60.126 59.018 -0.159 0.000 1.735 22 C CB -1.087 26.474 27.740 -0.298 0.000 2.031 22 C HN 0.595 nan 8.230 nan 0.000 0.474 23 H N -0.193 118.864 119.070 -0.023 0.000 2.389 23 H HA -0.106 4.450 4.556 -0.000 0.000 0.299 23 H C 2.254 177.573 175.328 -0.016 0.000 1.081 23 H CA 1.596 57.631 56.048 -0.021 0.000 1.345 23 H CB -0.154 29.599 29.762 -0.015 0.000 1.393 23 H HN 0.557 nan 8.280 nan 0.000 0.520 24 E N 0.700 120.964 120.200 0.107 0.000 2.085 24 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 24 E C 1.379 177.999 176.600 0.033 0.000 0.994 24 E CA 1.081 57.517 56.400 0.060 0.000 0.801 24 E CB 0.033 29.761 29.700 0.046 0.000 0.743 24 E HN 0.466 nan 8.360 nan 0.000 0.453 25 L N -1.191 120.042 121.223 0.016 0.000 2.529 25 L HA 0.232 4.571 4.340 -0.000 0.000 0.223 25 L C 1.337 178.197 176.870 -0.017 0.000 1.113 25 L CA 0.359 55.200 54.840 0.002 0.000 0.861 25 L CB 0.418 42.478 42.059 0.003 0.000 1.012 25 L HN 0.336 nan 8.230 nan 0.000 0.461 26 G N 0.660 109.444 108.800 -0.026 0.000 2.171 26 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.238 26 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.238 26 G C 0.229 175.090 174.900 -0.066 0.000 1.039 26 G CA -0.187 44.893 45.100 -0.034 0.000 0.759 26 G HN 0.250 nan 8.290 nan 0.000 0.501 27 M N 0.933 120.464 119.600 -0.115 0.000 3.436 27 M HA 0.423 4.902 4.480 -0.000 0.000 0.240 27 M C 0.683 176.873 176.300 -0.184 0.000 1.469 27 M CA -0.031 55.180 55.300 -0.149 0.000 1.622 27 M CB 0.210 32.674 32.600 -0.227 0.000 1.098 27 M HN 0.520 nan 8.290 nan 0.000 0.568 28 V N 0.148 119.988 119.914 -0.124 0.000 3.102 28 V HA 0.872 4.992 4.120 -0.000 0.000 0.312 28 V C -0.693 175.370 176.094 -0.052 0.000 1.135 28 V CA -1.215 61.008 62.300 -0.129 0.000 1.022 28 V CB 2.276 34.026 31.823 -0.121 0.000 1.056 28 V HN 0.694 nan 8.190 nan 0.000 0.436 29 M N 0.188 119.764 119.600 -0.040 0.000 2.619 29 M HA 0.659 5.139 4.480 -0.000 0.000 0.297 29 M C -0.617 175.682 176.300 -0.002 0.000 1.229 29 M CA -0.750 54.545 55.300 -0.008 0.000 0.860 29 M CB 2.068 34.672 32.600 0.006 0.000 1.741 29 M HN 0.707 nan 8.290 nan 0.000 0.462 30 K N 1.885 122.285 120.400 0.001 0.000 2.382 30 K HA 0.107 4.426 4.320 -0.000 0.000 0.275 30 K C 0.146 176.749 176.600 0.004 0.000 1.009 30 K CA -0.121 56.166 56.287 0.001 0.000 0.970 30 K CB 0.753 33.249 32.500 -0.006 0.000 0.934 30 K HN 0.873 nan 8.250 nan 0.000 0.479 31 E N 2.062 122.266 120.200 0.007 0.000 4.068 31 E HA 0.018 4.367 4.350 -0.000 0.000 0.355 31 E C 0.178 176.779 176.600 0.002 0.000 1.511 31 E CA -0.413 55.991 56.400 0.008 0.000 1.957 31 E CB 0.266 29.973 29.700 0.012 0.000 1.345 31 E HN 0.475 nan 8.360 nan 0.000 0.796 32 S N -0.581 115.120 115.700 0.001 0.000 2.452 32 S HA 0.204 4.673 4.470 -0.000 0.000 0.225 32 S C 0.690 175.287 174.600 -0.005 0.000 1.057 32 S CA 0.187 58.386 58.200 -0.002 0.000 0.949 32 S CB 0.268 63.468 63.200 -0.000 0.000 0.836 32 S HN 0.628 nan 8.310 nan 0.000 0.518 33 A N 1.929 124.746 122.820 -0.004 0.000 2.539 33 A HA 0.581 4.901 4.320 -0.000 0.000 0.306 33 A C 1.246 178.826 177.584 -0.008 0.000 1.392 33 A CA 0.211 52.244 52.037 -0.006 0.000 1.060 33 A CB -1.259 17.737 19.000 -0.005 0.000 1.134 33 A HN 0.674 nan 8.150 nan 0.000 0.542 34 G N 3.769 112.562 108.800 -0.011 0.000 2.611 34 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.301 34 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.301 34 G C -0.711 174.181 174.900 -0.013 0.000 1.233 34 G CA 0.435 45.527 45.100 -0.013 0.000 0.993 34 G HN 0.692 nan 8.290 nan 0.000 0.553 35 P HA 0.219 nan 4.420 nan 0.000 0.239 35 P C 1.179 178.472 177.300 -0.012 0.000 1.188 35 P CA 1.409 64.498 63.100 -0.017 0.000 0.794 35 P CB -0.094 31.594 31.700 -0.020 0.000 0.937 36 G N 1.126 109.923 108.800 -0.005 0.000 2.491 36 G HA2 0.224 4.184 3.960 -0.000 0.000 0.242 36 G HA3 0.224 4.184 3.960 -0.000 0.000 0.242 36 G C -0.434 174.478 174.900 0.020 0.000 1.266 36 G CA -0.112 44.991 45.100 0.004 0.000 0.844 36 G HN 0.060 nan 8.290 nan 0.000 0.571 37 R N -0.643 119.884 120.500 0.045 0.000 2.604 37 R HA 0.620 4.959 4.340 -0.000 0.000 0.287 37 R C 0.126 176.518 176.300 0.154 0.000 0.970 37 R CA -0.439 55.703 56.100 0.071 0.000 0.946 37 R CB 1.942 32.284 30.300 0.070 0.000 1.127 37 R HN 0.627 nan 8.270 nan 0.000 0.473 38 V N -0.356 119.610 119.914 0.087 0.000 3.141 38 V HA 0.790 4.910 4.120 -0.000 0.000 0.312 38 V C -2.653 173.373 176.094 -0.114 0.000 1.157 38 V CA -3.051 59.296 62.300 0.078 0.000 1.041 38 V CB 2.296 34.151 31.823 0.052 0.000 1.071 38 V HN 0.563 nan 8.190 nan 0.000 0.441 39 P HA 0.298 nan 4.420 nan 0.000 0.275 39 P C -0.027 177.178 177.300 -0.158 0.000 1.227 39 P CA -0.029 62.908 63.100 -0.272 0.000 0.781 39 P CB 0.842 32.397 31.700 -0.242 0.000 0.906 40 V N 1.511 121.325 119.914 -0.166 0.000 2.999 40 V HA 0.270 4.389 4.120 -0.000 0.000 0.307 40 V C -2.173 173.839 176.094 -0.136 0.000 1.084 40 V CA -1.509 60.724 62.300 -0.112 0.000 1.155 40 V CB -0.644 31.122 31.823 -0.094 0.000 0.975 40 V HN 0.445 nan 8.190 nan 0.000 0.490 41 P HA 0.376 nan 4.420 nan 0.000 0.276 41 P C -0.717 176.501 177.300 -0.135 0.000 1.243 41 P CA 0.123 63.170 63.100 -0.088 0.000 0.768 41 P CB 1.416 33.086 31.700 -0.050 0.000 0.856 42 V N 3.607 123.434 119.914 -0.146 0.000 2.876 42 V HA 0.481 4.600 4.120 -0.000 0.000 0.312 42 V C -0.039 176.066 176.094 0.018 0.000 1.085 42 V CA -0.596 61.614 62.300 -0.150 0.000 0.945 42 V CB 2.377 33.960 31.823 -0.400 0.000 1.017 42 V HN 0.744 nan 8.190 nan 0.000 0.428 43 T N 3.991 118.604 114.554 0.098 0.000 2.930 43 T HA 0.246 4.596 4.350 -0.000 0.000 0.306 43 T C 0.957 175.839 174.700 0.304 0.000 1.045 43 T CA -0.225 61.974 62.100 0.163 0.000 1.134 43 T CB 0.569 69.510 68.868 0.122 0.000 0.961 43 T HN 0.593 nan 8.240 nan 0.000 0.545 44 L N 1.638 122.959 121.223 0.164 0.000 2.650 44 L HA 0.145 4.484 4.340 -0.000 0.000 0.235 44 L C 1.057 177.845 176.870 -0.138 0.000 1.149 44 L CA 0.139 55.032 54.840 0.089 0.000 0.887 44 L CB -0.635 41.501 42.059 0.128 0.000 1.021 44 L HN 0.787 nan 8.230 nan 0.000 0.441 45 Q N -0.948 118.617 119.800 -0.391 0.000 2.527 45 Q HA 0.442 4.781 4.340 -0.000 0.000 0.280 45 Q C -3.145 172.216 176.000 -1.065 0.000 0.977 45 Q CA -2.154 53.090 55.803 -0.931 0.000 0.837 45 Q CB 1.704 30.169 28.738 -0.456 0.000 1.454 45 Q HN -0.253 nan 8.270 nan 0.000 0.387 46 P HA 0.209 nan 4.420 nan 0.000 0.277 46 P C -0.410 176.633 177.300 -0.429 0.000 1.240 46 P CA -0.173 62.530 63.100 -0.661 0.000 0.798 46 P CB 0.905 32.218 31.700 -0.644 0.000 0.979 47 S N 1.560 117.147 115.700 -0.188 0.000 2.565 47 S HA 0.452 4.922 4.470 -0.000 0.000 0.274 47 S C 0.014 174.548 174.600 -0.109 0.000 1.309 47 S CA -0.485 57.654 58.200 -0.101 0.000 1.043 47 S CB -0.319 62.874 63.200 -0.011 0.000 0.939 47 S HN 0.215 nan 8.310 nan 0.000 0.504 48 M N 3.998 123.565 119.600 -0.056 0.000 2.367 48 M HA 0.557 5.036 4.480 -0.000 0.000 0.339 48 M C -0.295 176.016 176.300 0.018 0.000 1.177 48 M CA -0.334 54.940 55.300 -0.044 0.000 1.068 48 M CB 0.998 33.587 32.600 -0.019 0.000 1.602 48 M HN 0.687 nan 8.290 nan 0.000 0.457 49 I N 0.440 121.006 120.570 -0.007 0.000 3.004 49 I HA 0.324 4.493 4.170 -0.000 0.000 0.305 49 I C -0.260 175.882 176.117 0.041 0.000 1.312 49 I CA -0.297 61.042 61.300 0.065 0.000 0.992 49 I CB 2.332 40.321 38.000 -0.019 0.000 1.282 49 I HN 0.846 nan 8.210 nan 0.000 0.449 50 S N 5.564 121.326 115.700 0.104 0.000 2.584 50 S HA 0.342 4.812 4.470 -0.000 0.000 0.273 50 S C 1.092 175.737 174.600 0.075 0.000 1.311 50 S CA -0.325 57.922 58.200 0.078 0.000 1.034 50 S CB 1.595 64.854 63.200 0.097 0.000 0.939 50 S HN 0.833 nan 8.310 nan 0.000 0.513 51 R N 2.109 122.644 120.500 0.059 0.000 2.091 51 R HA -0.102 4.238 4.340 -0.000 0.000 0.238 51 R C 2.212 178.564 176.300 0.087 0.000 1.136 51 R CA 1.830 57.980 56.100 0.083 0.000 0.959 51 R CB -1.379 28.955 30.300 0.057 0.000 0.856 51 R HN 0.924 nan 8.270 nan 0.000 0.437 52 G N 0.815 109.651 108.800 0.060 0.000 2.587 52 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.217 52 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.217 52 G C 1.181 176.100 174.900 0.032 0.000 1.240 52 G CA 1.104 46.229 45.100 0.042 0.000 0.794 52 G HN 0.428 nan 8.290 nan 0.000 0.580 53 E N -0.436 119.809 120.200 0.075 0.000 2.070 53 E HA -0.176 4.173 4.350 -0.000 0.000 0.197 53 E C 2.123 178.623 176.600 -0.166 0.000 1.004 53 E CA 1.153 57.584 56.400 0.051 0.000 0.805 53 E CB -0.295 29.580 29.700 0.291 0.000 0.744 53 E HN 0.386 nan 8.360 nan 0.000 0.451 54 F N 1.242 121.027 119.950 -0.276 0.000 2.065 54 F HA -0.184 4.343 4.527 -0.000 0.000 0.298 54 F C 2.173 177.787 175.800 -0.311 0.000 1.112 54 F CA 1.955 59.736 58.000 -0.365 0.000 1.212 54 F CB -0.978 37.861 39.000 -0.267 0.000 0.975 54 F HN 0.000 nan 8.300 nan 0.000 0.476 55 G N -0.570 108.093 108.800 -0.227 0.000 2.631 55 G HA2 -0.458 3.502 3.960 -0.000 0.000 0.219 55 G HA3 -0.458 3.502 3.960 -0.000 0.000 0.219 55 G C 1.673 176.380 174.900 -0.321 0.000 1.214 55 G CA 2.534 47.459 45.100 -0.293 0.000 0.785 55 G HN 0.541 nan 8.290 nan 0.000 0.596 56 T N -0.136 114.298 114.554 -0.200 0.000 2.720 56 T HA -0.048 4.302 4.350 -0.000 0.000 0.268 56 T C 2.479 177.048 174.700 -0.217 0.000 1.037 56 T CA 1.452 63.475 62.100 -0.128 0.000 1.144 56 T CB -0.400 68.477 68.868 0.014 0.000 0.864 56 T HN 0.170 nan 8.240 nan 0.000 0.444 57 L N 0.532 121.514 121.223 -0.402 0.000 1.990 57 L HA -0.131 4.209 4.340 -0.000 0.000 0.213 57 L C 3.317 179.955 176.870 -0.387 0.000 1.072 57 L CA 1.773 56.276 54.840 -0.561 0.000 0.755 57 L CB -0.817 40.726 42.059 -0.860 0.000 0.889 57 L HN 0.441 nan 8.230 nan 0.000 0.432 58 C N -1.246 117.700 119.300 -0.590 0.000 2.436 58 C HA -0.198 4.262 4.460 -0.000 0.000 0.277 58 C C 2.946 177.740 174.990 -0.327 0.000 1.241 58 C CA 0.697 59.322 59.018 -0.655 0.000 1.721 58 C CB -1.061 25.827 27.740 -1.420 0.000 2.043 58 C HN 0.669 nan 8.230 nan 0.000 0.472 59 C N 0.313 119.435 119.300 -0.297 0.000 2.472 59 C HA -0.012 4.447 4.460 -0.000 0.000 0.278 59 C C 2.599 177.588 174.990 -0.001 0.000 1.447 59 C CA 0.696 59.636 59.018 -0.129 0.000 1.773 59 C CB -1.208 26.455 27.740 -0.128 0.000 1.793 59 C HN 0.582 nan 8.230 nan 0.000 0.544 60 M N 0.168 119.793 119.600 0.042 0.000 2.514 60 M HA -0.001 4.479 4.480 -0.000 0.000 0.258 60 M C 2.154 178.639 176.300 0.309 0.000 1.119 60 M CA 0.926 56.321 55.300 0.157 0.000 1.111 60 M CB -1.015 31.706 32.600 0.201 0.000 1.390 60 M HN 0.319 nan 8.290 nan 0.000 0.475 61 Q N 1.457 121.451 119.800 0.324 0.000 2.226 61 Q HA -0.071 4.269 4.340 -0.000 0.000 0.204 61 Q C -1.143 175.079 176.000 0.370 0.000 0.975 61 Q CA 1.774 57.831 55.803 0.423 0.000 0.866 61 Q CB -1.150 27.820 28.738 0.386 0.000 0.915 61 Q HN 0.223 nan 8.270 nan 0.000 0.440 62 P HA -0.043 nan 4.420 nan 0.000 0.229 62 P C 0.589 178.026 177.300 0.229 0.000 1.160 62 P CA 0.914 64.151 63.100 0.229 0.000 0.777 62 P CB 0.024 31.827 31.700 0.171 0.000 0.814 63 L N -3.494 117.861 121.223 0.220 0.000 2.270 63 L HA 0.024 4.364 4.340 -0.000 0.000 0.210 63 L C 2.074 179.076 176.870 0.221 0.000 1.104 63 L CA 0.999 55.982 54.840 0.239 0.000 0.804 63 L CB -0.719 41.397 42.059 0.095 0.000 0.937 63 L HN 0.031 nan 8.230 nan 0.000 0.450 64 W N 0.875 122.314 121.300 0.232 0.000 2.418 64 W HA -0.091 4.569 4.660 -0.000 0.000 0.292 64 W C 2.475 179.066 176.519 0.120 0.000 1.213 64 W CA 0.441 57.877 57.345 0.153 0.000 1.283 64 W CB -0.174 29.366 29.460 0.132 0.000 1.119 64 W HN 0.164 nan 8.180 nan 0.000 0.542 65 N N 0.208 119.165 118.700 0.427 0.000 2.120 65 N HA -0.192 4.547 4.740 -0.000 0.000 0.188 65 N C 1.555 177.198 175.510 0.222 0.000 1.024 65 N CA 1.572 54.859 53.050 0.396 0.000 0.852 65 N CB -0.759 37.912 38.487 0.307 0.000 1.003 65 N HN 0.314 nan 8.380 nan 0.000 0.424 66 E N 0.545 120.841 120.200 0.161 0.000 2.107 66 E HA -0.026 4.324 4.350 -0.000 0.000 0.191 66 E C 1.775 178.303 176.600 -0.120 0.000 0.982 66 E CA 0.671 57.114 56.400 0.073 0.000 0.809 66 E CB 0.038 29.837 29.700 0.165 0.000 0.756 66 E HN 0.275 nan 8.360 nan 0.000 0.459 67 A N 0.715 123.384 122.820 -0.253 0.000 1.873 67 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 67 A C 2.406 179.806 177.584 -0.306 0.000 1.193 67 A CA 1.792 53.488 52.037 -0.569 0.000 0.629 67 A CB -0.861 17.824 19.000 -0.524 0.000 0.826 67 A HN 0.220 nan 8.150 nan 0.000 0.447 68 V N 0.425 120.240 119.914 -0.166 0.000 2.358 68 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 68 V C 2.361 178.303 176.094 -0.252 0.000 1.047 68 V CA 2.415 64.571 62.300 -0.240 0.000 1.035 68 V CB -0.908 30.667 31.823 -0.414 0.000 0.658 68 V HN 0.705 nan 8.190 nan 0.000 0.452 69 D N 0.441 120.743 120.400 -0.163 0.000 2.158 69 D HA -0.188 4.452 4.640 -0.000 0.000 0.197 69 D C 1.897 178.170 176.300 -0.045 0.000 0.995 69 D CA 1.637 55.595 54.000 -0.069 0.000 0.846 69 D CB -0.109 40.721 40.800 0.050 0.000 0.941 69 D HN 0.407 nan 8.370 nan 0.000 0.456 70 N N -1.074 117.556 118.700 -0.117 0.000 2.336 70 N HA -0.032 4.708 4.740 -0.000 0.000 0.177 70 N C 1.742 177.143 175.510 -0.180 0.000 1.018 70 N CA 1.069 54.035 53.050 -0.139 0.000 0.878 70 N CB -0.582 37.807 38.487 -0.165 0.000 0.997 70 N HN 0.182 nan 8.380 nan 0.000 0.433 71 T N 1.318 115.750 114.554 -0.204 0.000 2.746 71 T HA -0.039 4.311 4.350 -0.000 0.000 0.267 71 T C 2.008 176.667 174.700 -0.068 0.000 1.039 71 T CA 1.313 63.306 62.100 -0.178 0.000 1.142 71 T CB -0.287 68.485 68.868 -0.160 0.000 0.866 71 T HN 0.301 nan 8.240 nan 0.000 0.444 72 A N 2.052 124.836 122.820 -0.059 0.000 1.851 72 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 72 A C 2.305 179.862 177.584 -0.046 0.000 1.195 72 A CA 1.448 53.508 52.037 0.038 0.000 0.622 72 A CB -0.554 18.534 19.000 0.147 0.000 0.831 72 A HN 0.401 nan 8.150 nan 0.000 0.444 73 R N -0.120 120.304 120.500 -0.126 0.000 2.328 73 R HA -0.029 4.311 4.340 -0.000 0.000 0.207 73 R C 0.619 176.364 176.300 -0.926 0.000 1.056 73 R CA 0.692 56.533 56.100 -0.431 0.000 1.016 73 R CB -0.409 29.803 30.300 -0.146 0.000 0.872 73 R HN 0.663 nan 8.270 nan 0.000 0.471 74 N N 0.717 119.095 118.700 -0.536 0.000 2.949 74 N HA 0.005 4.745 4.740 -0.000 0.000 0.243 74 N C 0.114 175.490 175.510 -0.224 0.000 1.113 74 N CA -0.255 52.556 53.050 -0.399 0.000 0.980 74 N CB 0.326 38.698 38.487 -0.191 0.000 1.256 74 N HN -0.094 nan 8.380 nan 0.000 0.508 75 F N 1.131 121.103 119.950 0.037 0.000 2.102 75 F HA -0.129 4.398 4.527 -0.000 0.000 0.298 75 F C 2.626 178.437 175.800 0.018 0.000 1.105 75 F CA 0.742 58.738 58.000 -0.006 0.000 1.239 75 F CB -1.097 37.871 39.000 -0.053 0.000 0.991 75 F HN 0.301 nan 8.300 nan 0.000 0.474 76 T N 0.922 115.599 114.554 0.205 0.000 2.594 76 T HA -0.350 4.000 4.350 -0.000 0.000 0.266 76 T C 1.740 176.494 174.700 0.090 0.000 1.070 76 T CA 2.194 64.366 62.100 0.121 0.000 1.166 76 T CB -0.873 68.060 68.868 0.108 0.000 0.862 76 T HN 0.277 nan 8.240 nan 0.000 0.436 77 F N 1.197 121.140 119.950 -0.013 0.000 2.120 77 F HA -0.118 4.409 4.527 -0.001 0.000 0.300 77 F C 2.065 177.848 175.800 -0.028 0.000 1.095 77 F CA 1.267 59.250 58.000 -0.029 0.000 1.249 77 F CB -0.478 38.492 39.000 -0.050 0.000 0.995 77 F HN 0.120 nan 8.300 nan 0.000 0.480 78 L N -0.121 121.125 121.223 0.038 0.000 1.955 78 L HA -0.259 4.081 4.340 -0.000 0.000 0.213 78 L C 2.819 179.597 176.870 -0.153 0.000 1.072 78 L CA 1.900 56.705 54.840 -0.059 0.000 0.755 78 L CB -0.781 41.308 42.059 0.050 0.000 0.888 78 L HN 0.079 nan 8.230 nan 0.000 0.432 79 R N 0.053 120.502 120.500 -0.084 0.000 2.105 79 R HA -0.194 4.146 4.340 -0.000 0.000 0.239 79 R C 1.817 178.028 176.300 -0.149 0.000 1.135 79 R CA 1.825 57.860 56.100 -0.108 0.000 0.967 79 R CB -0.264 29.999 30.300 -0.061 0.000 0.861 79 R HN 0.433 nan 8.270 nan 0.000 0.442 80 D N 0.197 120.496 120.400 -0.169 0.000 2.084 80 D HA -0.139 4.501 4.640 -0.000 0.000 0.194 80 D C 1.779 177.911 176.300 -0.281 0.000 0.990 80 D CA 1.602 55.480 54.000 -0.203 0.000 0.826 80 D CB -0.369 40.314 40.800 -0.195 0.000 0.971 80 D HN 0.311 nan 8.370 nan 0.000 0.453 81 A N 0.672 123.224 122.820 -0.447 0.000 1.927 81 A HA -0.160 4.160 4.320 -0.000 0.000 0.220 81 A C 2.092 179.513 177.584 -0.271 0.000 1.185 81 A CA 1.235 53.003 52.037 -0.448 0.000 0.639 81 A CB -0.694 17.949 19.000 -0.595 0.000 0.820 81 A HN 0.281 nan 8.150 nan 0.000 0.451 82 L N -0.735 120.338 121.223 -0.250 0.000 2.791 82 L HA 0.117 4.457 4.340 -0.000 0.000 0.239 82 L C 1.944 178.693 176.870 -0.201 0.000 1.203 82 L CA -0.163 54.535 54.840 -0.236 0.000 1.002 82 L CB -0.045 41.835 42.059 -0.298 0.000 1.295 82 L HN 0.449 nan 8.230 nan 0.000 0.504 83 Q N 0.647 120.344 119.800 -0.171 0.000 2.002 83 Q HA -0.272 4.068 4.340 -0.000 0.000 0.204 83 Q C 1.912 177.838 176.000 -0.123 0.000 0.988 83 Q CA 2.041 57.761 55.803 -0.138 0.000 0.843 83 Q CB 0.069 28.736 28.738 -0.118 0.000 0.908 83 Q HN 0.490 nan 8.270 nan 0.000 0.420 84 E N -0.751 119.380 120.200 -0.115 0.000 2.274 84 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 84 E C 1.610 178.155 176.600 -0.092 0.000 0.996 84 E CA 1.120 57.461 56.400 -0.098 0.000 0.840 84 E CB 0.255 29.895 29.700 -0.099 0.000 0.772 84 E HN 0.287 nan 8.360 nan 0.000 0.491 85 T N 0.241 114.730 114.554 -0.110 0.000 2.708 85 T HA -0.120 4.230 4.350 -0.000 0.000 0.266 85 T C 1.821 176.454 174.700 -0.111 0.000 1.037 85 T CA 1.270 63.309 62.100 -0.101 0.000 1.146 85 T CB -0.194 68.572 68.868 -0.171 0.000 0.865 85 T HN 0.280 nan 8.240 nan 0.000 0.435 86 A N 1.061 123.790 122.820 -0.151 0.000 2.119 86 A HA 0.371 4.691 4.320 -0.000 0.000 0.217 86 A C 2.523 180.045 177.584 -0.103 0.000 1.153 86 A CA 1.326 53.275 52.037 -0.147 0.000 0.692 86 A CB -0.761 18.133 19.000 -0.177 0.000 0.799 86 A HN 0.483 nan 8.150 nan 0.000 0.458 87 A N -0.233 122.536 122.820 -0.085 0.000 1.972 87 A HA 0.116 4.436 4.320 -0.000 0.000 0.219 87 A C 1.607 179.168 177.584 -0.037 0.000 1.169 87 A CA 1.332 53.333 52.037 -0.061 0.000 0.635 87 A CB -0.385 18.581 19.000 -0.056 0.000 0.810 87 A HN 0.431 nan 8.150 nan 0.000 0.446 88 S N -0.538 115.147 115.700 -0.025 0.000 2.707 88 S HA 0.420 4.889 4.470 -0.000 0.000 0.276 88 S C -0.033 174.573 174.600 0.010 0.000 1.179 88 S CA -0.089 58.118 58.200 0.011 0.000 0.992 88 S CB 0.533 63.763 63.200 0.049 0.000 1.030 88 S HN 0.441 nan 8.310 nan 0.000 0.554 89 D N -0.153 120.277 120.400 0.049 0.000 2.737 89 D HA -0.133 4.507 4.640 -0.000 0.000 0.233 89 D C 0.659 176.971 176.300 0.020 0.000 1.155 89 D CA 0.676 54.726 54.000 0.083 0.000 0.667 89 D CB -1.873 39.024 40.800 0.161 0.000 1.060 89 D HN 0.258 nan 8.370 nan 0.000 0.427 90 V N -0.133 119.768 119.914 -0.021 0.000 2.418 90 V HA -0.388 3.732 4.120 -0.000 0.000 0.258 90 V C 1.594 177.612 176.094 -0.127 0.000 1.088 90 V CA 2.546 64.799 62.300 -0.077 0.000 1.091 90 V CB -0.055 31.730 31.823 -0.064 0.000 0.669 90 V HN 0.389 nan 8.190 nan 0.000 0.461 91 N N -2.187 116.474 118.700 -0.064 0.000 2.280 91 N HA 0.124 4.864 4.740 -0.000 0.000 0.192 91 N C 0.812 176.315 175.510 -0.011 0.000 1.109 91 N CA 0.659 53.651 53.050 -0.097 0.000 0.855 91 N CB 0.671 39.167 38.487 0.016 0.000 0.974 91 N HN 0.655 nan 8.380 nan 0.000 0.482 92 F N 0.252 120.146 119.950 -0.092 0.000 2.282 92 F HA 0.196 4.723 4.527 -0.000 0.000 0.255 92 F C 1.907 177.697 175.800 -0.016 0.000 0.959 92 F CA 0.633 58.675 58.000 0.071 0.000 1.170 92 F CB -0.344 38.774 39.000 0.196 0.000 1.376 92 F HN -0.219 nan 8.300 nan 0.000 0.709 93 T N 0.154 114.600 114.554 -0.180 0.000 2.867 93 T HA -0.016 4.334 4.350 -0.000 0.000 0.268 93 T C 1.936 176.429 174.700 -0.345 0.000 1.057 93 T CA 1.387 63.261 62.100 -0.377 0.000 1.136 93 T CB -0.949 67.736 68.868 -0.305 0.000 0.874 93 T HN 0.443 nan 8.240 nan 0.000 0.466 94 G N 0.924 109.571 108.800 -0.255 0.000 2.534 94 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.217 94 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.217 94 G C 1.575 176.258 174.900 -0.363 0.000 1.128 94 G CA 0.262 45.205 45.100 -0.261 0.000 0.784 94 G HN 0.403 nan 8.290 nan 0.000 0.542 95 K N -0.561 119.510 120.400 -0.549 0.000 2.242 95 K HA 0.305 4.625 4.320 -0.000 0.000 0.200 95 K C 2.294 178.492 176.600 -0.670 0.000 1.050 95 K CA -0.112 55.671 56.287 -0.839 0.000 0.981 95 K CB -0.020 31.434 32.500 -1.743 0.000 0.795 95 K HN 0.213 nan 8.250 nan 0.000 0.477 96 L N 0.696 121.601 121.223 -0.531 0.000 2.027 96 L HA -0.159 4.181 4.340 -0.000 0.000 0.206 96 L C 2.211 178.929 176.870 -0.254 0.000 1.074 96 L CA 0.697 55.348 54.840 -0.315 0.000 0.745 96 L CB -0.172 41.658 42.059 -0.382 0.000 0.898 96 L HN 0.129 nan 8.230 nan 0.000 0.433 97 L N -0.025 121.027 121.223 -0.285 0.000 2.191 97 L HA -0.192 4.147 4.340 -0.000 0.000 0.212 97 L C 2.216 178.979 176.870 -0.178 0.000 1.103 97 L CA 1.328 56.037 54.840 -0.218 0.000 0.769 97 L CB -0.689 41.231 42.059 -0.231 0.000 0.908 97 L HN 0.257 nan 8.230 nan 0.000 0.438 98 N N -0.626 117.945 118.700 -0.216 0.000 2.043 98 N HA -0.213 4.527 4.740 -0.000 0.000 0.193 98 N C 1.863 177.297 175.510 -0.127 0.000 1.037 98 N CA 1.865 54.805 53.050 -0.183 0.000 0.851 98 N CB -0.194 38.148 38.487 -0.241 0.000 1.027 98 N HN 0.351 nan 8.380 nan 0.000 0.422 99 M N -0.031 119.502 119.600 -0.111 0.000 2.080 99 M HA -0.193 4.287 4.480 -0.000 0.000 0.260 99 M C 1.996 178.294 176.300 -0.003 0.000 1.068 99 M CA 1.031 56.308 55.300 -0.039 0.000 1.109 99 M CB -0.292 32.320 32.600 0.020 0.000 1.342 99 M HN 0.115 nan 8.290 nan 0.000 0.405 100 L N 0.712 121.938 121.223 0.004 0.000 1.978 100 L HA -0.308 4.032 4.340 -0.000 0.000 0.218 100 L C 2.354 179.219 176.870 -0.008 0.000 1.075 100 L CA 2.039 56.902 54.840 0.039 0.000 0.767 100 L CB -0.997 41.038 42.059 -0.040 0.000 0.890 100 L HN 0.367 nan 8.230 nan 0.000 0.434 101 Q N -0.587 119.179 119.800 -0.058 0.000 2.014 101 Q HA -0.281 4.059 4.340 -0.000 0.000 0.207 101 Q C 2.124 178.069 176.000 -0.091 0.000 0.993 101 Q CA 2.509 58.269 55.803 -0.071 0.000 0.850 101 Q CB -0.292 28.400 28.738 -0.077 0.000 0.916 101 Q HN 0.683 nan 8.270 nan 0.000 0.417 102 E N -0.438 119.705 120.200 -0.094 0.000 2.208 102 E HA -0.092 4.257 4.350 -0.000 0.000 0.193 102 E C 2.001 178.507 176.600 -0.155 0.000 0.988 102 E CA 0.798 57.137 56.400 -0.102 0.000 0.828 102 E CB 0.282 29.934 29.700 -0.081 0.000 0.763 102 E HN 0.116 nan 8.360 nan 0.000 0.478 103 V N -0.235 119.534 119.914 -0.242 0.000 2.426 103 V HA -0.140 3.980 4.120 -0.000 0.000 0.242 103 V C 1.413 177.075 176.094 -0.721 0.000 1.036 103 V CA 1.361 63.377 62.300 -0.473 0.000 1.044 103 V CB -0.286 31.125 31.823 -0.687 0.000 0.688 103 V HN 0.220 nan 8.190 nan 0.000 0.462 104 Y N -0.936 119.004 120.300 -0.601 0.000 2.479 104 Y HA 0.284 4.833 4.550 -0.001 0.000 0.283 104 Y C 1.980 177.479 175.900 -0.668 0.000 1.109 104 Y CA 0.619 58.042 58.100 -1.128 0.000 1.239 104 Y CB 0.174 37.654 38.460 -1.634 0.000 1.108 104 Y HN 0.047 nan 8.280 nan 0.000 0.548 105 L N -2.029 119.055 121.223 -0.231 0.000 2.575 105 L HA 0.072 4.412 4.340 -0.000 0.000 0.228 105 L C 1.929 178.773 176.870 -0.042 0.000 1.075 105 L CA 0.269 55.063 54.840 -0.077 0.000 0.867 105 L CB -0.142 41.901 42.059 -0.028 0.000 1.097 105 L HN -0.033 nan 8.230 nan 0.000 0.485 106 S N 0.211 115.869 115.700 -0.071 0.000 2.474 106 S HA -0.015 4.455 4.470 -0.000 0.000 0.235 106 S C 1.527 176.119 174.600 -0.013 0.000 0.997 106 S CA 1.103 59.278 58.200 -0.042 0.000 0.949 106 S CB -0.069 63.097 63.200 -0.056 0.000 0.766 106 S HN 0.683 nan 8.310 nan 0.000 0.517 107 G N 0.473 109.274 108.800 0.002 0.000 2.144 107 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.218 107 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.218 107 G C 0.207 175.141 174.900 0.056 0.000 0.988 107 G CA -0.266 44.864 45.100 0.049 0.000 0.659 107 G HN 0.797 nan 8.290 nan 0.000 0.522 108 G N 0.435 109.255 108.800 0.035 0.000 2.476 108 G HA2 0.676 4.635 3.960 -0.000 0.000 0.269 108 G HA3 0.676 4.635 3.960 -0.000 0.000 0.269 108 G C -1.254 173.721 174.900 0.125 0.000 1.195 108 G CA -0.429 44.697 45.100 0.044 0.000 0.843 108 G HN 0.285 nan 8.290 nan 0.000 0.545 109 P HA 0.403 nan 4.420 nan 0.000 0.272 109 P C -0.985 176.420 177.300 0.174 0.000 1.230 109 P CA -0.113 63.045 63.100 0.096 0.000 0.788 109 P CB 0.813 32.517 31.700 0.007 0.000 0.949 110 F N -2.665 117.248 119.950 -0.062 0.000 2.631 110 F HA 0.492 5.018 4.527 -0.001 0.000 0.308 110 F C -0.348 175.456 175.800 0.007 0.000 1.097 110 F CA -1.792 56.152 58.000 -0.093 0.000 0.952 110 F CB 1.022 39.859 39.000 -0.272 0.000 1.307 110 F HN 0.098 nan 8.300 nan 0.000 0.450 111 Q N 2.306 122.199 119.800 0.155 0.000 2.257 111 Q HA 0.070 4.409 4.340 -0.000 0.000 0.273 111 Q C 0.832 176.948 176.000 0.193 0.000 1.153 111 Q CA 0.538 56.418 55.803 0.128 0.000 0.922 111 Q CB 1.193 30.044 28.738 0.189 0.000 1.242 111 Q HN 0.788 nan 8.270 nan 0.000 0.409 112 Q N 3.402 123.218 119.800 0.025 0.000 2.297 112 Q HA 0.114 4.453 4.340 -0.000 0.000 0.204 112 Q C -0.271 175.811 176.000 0.137 0.000 0.962 112 Q CA 0.683 56.532 55.803 0.077 0.000 0.879 112 Q CB 0.217 28.913 28.738 -0.070 0.000 0.947 112 Q HN 0.746 nan 8.270 nan 0.000 0.462 113 L N 1.273 122.554 121.223 0.097 0.000 2.319 113 L HA 0.278 4.617 4.340 -0.000 0.000 0.280 113 L C -0.318 176.588 176.870 0.060 0.000 1.099 113 L CA 0.099 54.980 54.840 0.069 0.000 0.828 113 L CB 0.667 42.764 42.059 0.062 0.000 1.150 113 L HN 0.193 nan 8.230 nan 0.000 0.442 114 M N 5.323 124.915 119.600 -0.014 0.000 2.151 114 M HA 0.291 4.771 4.480 -0.000 0.000 0.290 114 M C -0.910 175.306 176.300 -0.139 0.000 0.965 114 M CA -0.774 54.432 55.300 -0.156 0.000 0.930 114 M CB 2.367 34.702 32.600 -0.443 0.000 1.560 114 M HN 0.333 nan 8.290 nan 0.000 0.438 115 L N 2.843 124.016 121.223 -0.085 0.000 2.436 115 L HA 0.853 5.193 4.340 -0.000 0.000 0.265 115 L C 0.019 176.922 176.870 0.054 0.000 1.168 115 L CA 0.519 55.337 54.840 -0.038 0.000 0.815 115 L CB 1.257 43.303 42.059 -0.021 0.000 1.109 115 L HN 0.735 nan 8.230 nan 0.000 0.462 116 G N 5.412 114.199 108.800 -0.021 0.000 2.739 116 G HA2 0.580 4.539 3.960 -0.000 0.000 0.291 116 G HA3 0.580 4.539 3.960 -0.000 0.000 0.291 116 G C -1.277 173.294 174.900 -0.549 0.000 1.478 116 G CA -0.372 44.577 45.100 -0.252 0.000 1.062 116 G HN 0.590 nan 8.290 nan 0.000 0.532 117 I N 3.310 123.717 120.570 -0.273 0.000 2.428 117 I HA 0.365 4.535 4.170 -0.000 0.000 0.279 117 I C -0.785 175.430 176.117 0.163 0.000 1.040 117 I CA -0.504 60.726 61.300 -0.116 0.000 1.171 117 I CB 0.685 38.689 38.000 0.007 0.000 1.312 117 I HN 0.191 nan 8.210 nan 0.000 0.470 118 F N 4.252 124.285 119.950 0.138 0.000 2.518 118 F HA 0.699 5.226 4.527 -0.001 0.000 0.338 118 F C 0.319 176.207 175.800 0.146 0.000 1.065 118 F CA -1.653 56.408 58.000 0.102 0.000 1.012 118 F CB 0.998 40.030 39.000 0.053 0.000 1.297 118 F HN 0.258 nan 8.300 nan 0.000 0.489 119 R N -0.365 120.271 120.500 0.227 0.000 2.508 119 R HA 0.443 4.782 4.340 -0.000 0.000 0.283 119 R C -1.866 174.331 176.300 -0.173 0.000 1.120 119 R CA -0.323 55.773 56.100 -0.007 0.000 0.958 119 R CB 1.590 31.821 30.300 -0.114 0.000 1.215 119 R HN 0.732 nan 8.270 nan 0.000 0.427 120 T N 3.441 117.841 114.554 -0.256 0.000 2.781 120 T HA 0.214 4.564 4.350 -0.000 0.000 0.305 120 T C -0.757 173.652 174.700 -0.485 0.000 1.001 120 T CA -0.670 61.086 62.100 -0.574 0.000 0.950 120 T CB 0.641 68.951 68.868 -0.929 0.000 0.955 120 T HN 0.379 nan 8.240 nan 0.000 0.471 121 D N 2.520 122.640 120.400 -0.467 0.000 2.345 121 D HA 0.331 4.971 4.640 -0.000 0.000 0.247 121 D C -0.221 175.847 176.300 -0.387 0.000 1.108 121 D CA 0.203 54.034 54.000 -0.281 0.000 0.894 121 D CB 0.920 41.593 40.800 -0.212 0.000 1.203 121 D HN 0.481 nan 8.370 nan 0.000 0.430 122 Y N -0.105 120.149 120.300 -0.075 0.000 2.634 122 Y HA 0.574 5.124 4.550 -0.001 0.000 0.340 122 Y C 0.146 176.129 175.900 0.139 0.000 1.058 122 Y CA -1.140 57.007 58.100 0.079 0.000 1.081 122 Y CB 1.998 40.597 38.460 0.231 0.000 1.295 122 Y HN 0.089 nan 8.280 nan 0.000 0.487 123 M N 1.102 120.928 119.600 0.377 0.000 2.421 123 M HA 0.387 4.866 4.480 -0.000 0.000 0.287 123 M C -1.318 175.098 176.300 0.194 0.000 1.183 123 M CA -0.575 54.811 55.300 0.143 0.000 0.916 123 M CB 2.694 34.991 32.600 -0.505 0.000 1.701 123 M HN 0.657 nan 8.290 nan 0.000 0.470 124 R N 2.656 123.041 120.500 -0.191 0.000 2.297 124 R HA 0.307 4.646 4.340 -0.000 0.000 0.308 124 R C -0.538 175.732 176.300 -0.049 0.000 1.029 124 R CA -0.313 55.437 56.100 -0.585 0.000 0.929 124 R CB 0.964 30.429 30.300 -1.391 0.000 1.046 124 R HN 0.693 nan 8.270 nan 0.000 0.461 125 E N 1.443 121.609 120.200 -0.057 0.000 2.458 125 E HA -0.066 4.284 4.350 -0.000 0.000 0.264 125 E C 0.391 176.961 176.600 -0.050 0.000 1.097 125 E CA 0.663 57.022 56.400 -0.068 0.000 0.973 125 E CB 0.477 30.118 29.700 -0.099 0.000 0.963 125 E HN 0.835 nan 8.360 nan 0.000 0.451 126 G N 1.078 109.867 108.800 -0.018 0.000 4.432 126 G HA2 0.315 4.275 3.960 -0.000 0.000 0.294 126 G HA3 0.315 4.275 3.960 -0.000 0.000 0.294 126 G C 0.011 174.917 174.900 0.010 0.000 1.141 126 G CA -0.302 44.828 45.100 0.050 0.000 0.895 126 G HN 0.194 nan 8.290 nan 0.000 0.548 139 W N 4.335 125.787 121.300 0.253 0.000 2.367 139 W HA 0.473 5.133 4.660 -0.001 0.000 0.329 139 W C -0.255 176.602 176.519 0.564 0.000 1.066 139 W CA -0.450 57.105 57.345 0.350 0.000 1.435 139 W CB 1.073 30.670 29.460 0.229 0.000 1.296 139 W HN -0.301 nan 8.180 nan 0.000 0.401 140 K N 3.131 123.915 120.400 0.640 0.000 2.174 140 K HA 0.106 4.426 4.320 -0.000 0.000 0.275 140 K C 0.117 177.016 176.600 0.498 0.000 1.015 140 K CA -0.644 55.987 56.287 0.574 0.000 0.933 140 K CB 0.910 33.701 32.500 0.486 0.000 1.025 140 K HN 0.445 nan 8.250 nan 0.000 0.463 141 N N 2.227 121.107 118.700 0.300 0.000 2.458 141 N HA 0.022 4.762 4.740 -0.000 0.000 0.270 141 N C -0.000 175.440 175.510 -0.117 0.000 1.102 141 N CA -0.001 52.946 53.050 -0.172 0.000 0.967 141 N CB 1.157 39.465 38.487 -0.297 0.000 1.078 141 N HN 0.191 nan 8.380 nan 0.000 0.471 142 V N 2.435 122.227 119.914 -0.204 0.000 3.455 142 V HA 0.222 4.341 4.120 -0.000 0.000 0.250 142 V C -0.227 175.748 176.094 -0.198 0.000 1.230 142 V CA 0.806 63.019 62.300 -0.146 0.000 1.105 142 V CB 0.052 31.767 31.823 -0.180 0.000 0.850 142 V HN 0.797 nan 8.190 nan 0.000 0.461 143 E N -0.029 119.994 120.200 -0.295 0.000 2.321 143 E HA 0.469 4.818 4.350 -0.000 0.000 0.278 143 E C -1.565 174.793 176.600 -0.403 0.000 0.902 143 E CA -0.436 55.793 56.400 -0.285 0.000 0.758 143 E CB 1.930 31.505 29.700 -0.209 0.000 1.213 143 E HN 0.118 nan 8.360 nan 0.000 0.426 144 I N 3.898 124.251 120.570 -0.362 0.000 2.362 144 I HA 0.549 4.719 4.170 -0.000 0.000 0.289 144 I C -1.601 174.336 176.117 -0.301 0.000 0.994 144 I CA -0.633 60.426 61.300 -0.402 0.000 1.158 144 I CB 0.968 38.744 38.000 -0.374 0.000 1.315 144 I HN 0.449 nan 8.210 nan 0.000 0.451 145 N N 4.628 123.162 118.700 -0.276 0.000 2.410 145 N HA 0.394 5.134 4.740 -0.000 0.000 0.287 145 N C 0.068 175.496 175.510 -0.137 0.000 1.044 145 N CA -0.124 52.805 53.050 -0.202 0.000 0.881 145 N CB 2.089 40.484 38.487 -0.154 0.000 1.405 145 N HN 0.702 nan 8.380 nan 0.000 0.490 146 T N -1.574 112.890 114.554 -0.150 0.000 2.986 146 T HA 0.312 4.661 4.350 -0.000 0.000 0.264 146 T C 0.654 175.434 174.700 0.134 0.000 0.964 146 T CA 0.012 62.106 62.100 -0.009 0.000 0.895 146 T CB 0.459 69.133 68.868 -0.323 0.000 1.163 146 T HN 0.409 nan 8.240 nan 0.000 0.517 147 I N 1.945 122.469 120.570 -0.076 0.000 2.377 147 I HA 0.548 4.718 4.170 -0.000 0.000 0.293 147 I C 0.379 176.381 176.117 -0.191 0.000 0.987 147 I CA -0.289 60.924 61.300 -0.145 0.000 1.185 147 I CB 1.587 39.327 38.000 -0.435 0.000 1.341 147 I HN 0.252 nan 8.210 nan 0.000 0.455 148 S N 4.912 120.552 115.700 -0.101 0.000 3.477 148 S HA -0.195 4.275 4.470 -0.000 0.000 0.371 148 S C 0.051 174.527 174.600 -0.207 0.000 0.965 148 S CA 0.169 58.254 58.200 -0.191 0.000 1.239 148 S CB -1.648 61.378 63.200 -0.290 0.000 0.918 148 S HN 0.747 nan 8.310 nan 0.000 0.498 149 C N 3.022 122.296 119.300 -0.044 0.000 2.648 149 C HA 0.483 4.943 4.460 -0.000 0.000 0.419 149 C C 1.267 176.262 174.990 0.010 0.000 1.352 149 C CA -0.364 58.674 59.018 0.032 0.000 1.816 149 C CB 0.132 28.009 27.740 0.229 0.000 2.598 149 C HN 0.764 nan 8.230 nan 0.000 0.598 150 S N 1.545 117.221 115.700 -0.039 0.000 2.651 150 S HA 0.674 5.144 4.470 -0.000 0.000 0.291 150 S C -0.082 174.491 174.600 -0.044 0.000 1.141 150 S CA -0.407 57.593 58.200 -0.333 0.000 1.027 150 S CB 0.394 63.077 63.200 -0.862 0.000 1.043 150 S HN 0.737 nan 8.310 nan 0.000 0.530 151 F N -1.450 118.557 119.950 0.095 0.000 2.965 151 F HA -0.249 4.277 4.527 -0.001 0.000 0.287 151 F C 1.337 177.208 175.800 0.118 0.000 0.790 151 F CA 0.327 58.389 58.000 0.103 0.000 1.279 151 F CB -2.203 36.865 39.000 0.114 0.000 1.409 151 F HN 0.602 nan 8.300 nan 0.000 0.446 152 A N -0.062 122.713 122.820 -0.075 0.000 2.123 152 A HA 0.447 4.767 4.320 -0.000 0.000 0.214 152 A C 2.267 179.684 177.584 -0.278 0.000 1.152 152 A CA 1.272 52.976 52.037 -0.556 0.000 0.728 152 A CB -0.558 17.857 19.000 -0.975 0.000 0.814 152 A HN 0.614 nan 8.150 nan 0.000 0.464 153 G N -0.749 107.964 108.800 -0.144 0.000 2.576 153 G HA2 0.137 4.097 3.960 -0.000 0.000 0.210 153 G HA3 0.137 4.097 3.960 -0.000 0.000 0.210 153 G C 1.311 176.183 174.900 -0.046 0.000 1.143 153 G CA 0.361 45.398 45.100 -0.104 0.000 0.819 153 G HN 0.363 nan 8.290 nan 0.000 0.534 154 L N 0.783 122.019 121.223 0.021 0.000 2.529 154 L HA 0.160 4.500 4.340 -0.000 0.000 0.223 154 L C 2.754 179.630 176.870 0.010 0.000 1.113 154 L CA 0.368 55.230 54.840 0.038 0.000 0.861 154 L CB 0.203 42.338 42.059 0.127 0.000 1.012 154 L HN 0.278 nan 8.230 nan 0.000 0.461 155 S N 0.587 116.297 115.700 0.016 0.000 2.428 155 S HA 0.004 4.474 4.470 -0.000 0.000 0.230 155 S C -0.641 173.882 174.600 -0.128 0.000 1.014 155 S CA 0.619 58.790 58.200 -0.048 0.000 0.957 155 S CB -0.454 62.732 63.200 -0.024 0.000 0.784 155 S HN 0.203 nan 8.310 nan 0.000 0.499 156 P HA 0.076 nan 4.420 nan 0.000 0.229 156 P C 0.983 178.246 177.300 -0.061 0.000 1.160 156 P CA 0.664 63.706 63.100 -0.096 0.000 0.777 156 P CB -0.053 31.601 31.700 -0.077 0.000 0.814 157 L N -1.418 119.770 121.223 -0.059 0.000 2.270 157 L HA -0.013 4.327 4.340 -0.000 0.000 0.210 157 L C 2.074 178.915 176.870 -0.049 0.000 1.104 157 L CA 0.558 55.373 54.840 -0.042 0.000 0.804 157 L CB -0.572 41.459 42.059 -0.047 0.000 0.937 157 L HN -0.099 nan 8.230 nan 0.000 0.450 158 I N -0.316 120.195 120.570 -0.098 0.000 2.394 158 I HA -0.208 3.962 4.170 -0.000 0.000 0.251 158 I C 2.451 178.457 176.117 -0.185 0.000 1.136 158 I CA 1.385 62.580 61.300 -0.176 0.000 1.425 158 I CB -1.376 36.488 38.000 -0.226 0.000 1.079 158 I HN 0.214 nan 8.210 nan 0.000 0.425 159 T N 0.843 115.351 114.554 -0.076 0.000 2.746 159 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 159 T C 1.774 176.503 174.700 0.048 0.000 1.039 159 T CA 1.423 63.527 62.100 0.007 0.000 1.142 159 T CB -0.114 68.775 68.868 0.035 0.000 0.866 159 T HN 0.428 nan 8.240 nan 0.000 0.444 160 E N -0.105 120.120 120.200 0.043 0.000 2.150 160 E HA -0.053 4.297 4.350 -0.000 0.000 0.193 160 E C 1.795 178.465 176.600 0.116 0.000 0.985 160 E CA 0.629 57.074 56.400 0.074 0.000 0.814 160 E CB -0.188 29.546 29.700 0.057 0.000 0.752 160 E HN 0.453 nan 8.360 nan 0.000 0.466 161 F N 1.248 121.152 119.950 -0.078 0.000 2.113 161 F HA -0.167 4.360 4.527 -0.001 0.000 0.297 161 F C 1.925 177.762 175.800 0.062 0.000 1.103 161 F CA 1.815 59.766 58.000 -0.081 0.000 1.248 161 F CB -0.262 38.618 39.000 -0.200 0.000 0.999 161 F HN 0.052 nan 8.300 nan 0.000 0.475 162 H N -1.015 118.042 119.070 -0.022 0.000 2.395 162 H HA -0.119 4.437 4.556 -0.001 0.000 0.299 162 H C 2.193 177.568 175.328 0.078 0.000 1.070 162 H CA 0.903 56.915 56.048 -0.059 0.000 1.356 162 H CB -0.112 29.621 29.762 -0.048 0.000 1.401 162 H HN 0.374 nan 8.280 nan 0.000 0.524 163 Q N -0.210 119.711 119.800 0.201 0.000 2.152 163 Q HA -0.263 4.076 4.340 -0.000 0.000 0.206 163 Q C 2.039 178.098 176.000 0.098 0.000 0.985 163 Q CA 1.944 57.834 55.803 0.146 0.000 0.863 163 Q CB -0.068 28.738 28.738 0.113 0.000 0.904 163 Q HN 0.629 nan 8.270 nan 0.000 0.422 164 H N 0.159 119.210 119.070 -0.033 0.000 2.284 164 H HA -0.048 4.508 4.556 -0.001 0.000 0.304 164 H C 1.856 177.154 175.328 -0.050 0.000 1.069 164 H CA 1.714 57.729 56.048 -0.055 0.000 1.327 164 H CB -0.121 29.574 29.762 -0.111 0.000 1.387 164 H HN 0.126 nan 8.280 nan 0.000 0.498 165 I N 0.900 121.403 120.570 -0.113 0.000 2.185 165 I HA -0.344 3.826 4.170 -0.000 0.000 0.246 165 I C 2.726 178.765 176.117 -0.130 0.000 1.088 165 I CA 1.282 62.517 61.300 -0.108 0.000 1.347 165 I CB -0.899 37.019 38.000 -0.138 0.000 1.041 165 I HN 0.512 nan 8.210 nan 0.000 0.415 166 A N 0.836 123.574 122.820 -0.137 0.000 1.908 166 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 166 A C 2.545 179.930 177.584 -0.332 0.000 1.181 166 A CA 2.061 53.869 52.037 -0.383 0.000 0.627 166 A CB -0.718 18.132 19.000 -0.251 0.000 0.818 166 A HN 0.475 nan 8.150 nan 0.000 0.445 167 A N -1.988 120.719 122.820 -0.188 0.000 1.970 167 A HA 0.043 4.363 4.320 -0.000 0.000 0.216 167 A C 2.090 179.605 177.584 -0.116 0.000 1.170 167 A CA 1.434 53.386 52.037 -0.141 0.000 0.645 167 A CB -0.679 18.277 19.000 -0.072 0.000 0.816 167 A HN 0.638 nan 8.150 nan 0.000 0.447 168 Y N 0.759 120.874 120.300 -0.310 0.000 2.089 168 Y HA -0.178 4.372 4.550 -0.000 0.000 0.282 168 Y C 1.981 177.766 175.900 -0.192 0.000 1.139 168 Y CA 1.747 59.700 58.100 -0.246 0.000 1.123 168 Y CB -0.577 37.731 38.460 -0.254 0.000 0.980 168 Y HN 0.211 nan 8.280 nan 0.000 0.493 169 L N -0.114 120.946 121.223 -0.271 0.000 2.042 169 L HA -0.311 4.029 4.340 -0.000 0.000 0.210 169 L C 2.569 179.223 176.870 -0.360 0.000 1.076 169 L CA 1.771 56.370 54.840 -0.401 0.000 0.749 169 L CB -0.680 41.097 42.059 -0.469 0.000 0.893 169 L HN 0.348 nan 8.230 nan 0.000 0.432 170 Q N -0.660 118.923 119.800 -0.361 0.000 2.030 170 Q HA -0.210 4.129 4.340 -0.000 0.000 0.204 170 Q C 2.339 178.288 176.000 -0.084 0.000 0.986 170 Q CA 1.746 57.425 55.803 -0.207 0.000 0.843 170 Q CB -0.270 28.353 28.738 -0.191 0.000 0.904 170 Q HN 0.334 nan 8.270 nan 0.000 0.420 171 V N 1.136 120.987 119.914 -0.105 0.000 2.407 171 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 171 V C 2.179 178.209 176.094 -0.108 0.000 1.055 171 V CA 1.433 63.692 62.300 -0.069 0.000 1.049 171 V CB -0.435 31.368 31.823 -0.033 0.000 0.662 171 V HN 0.349 nan 8.190 nan 0.000 0.455 172 L N -0.894 120.198 121.223 -0.218 0.000 2.141 172 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 172 L C 2.658 179.453 176.870 -0.125 0.000 1.094 172 L CA 1.468 56.161 54.840 -0.246 0.000 0.763 172 L CB -0.398 41.396 42.059 -0.443 0.000 0.908 172 L HN 0.395 nan 8.230 nan 0.000 0.437 173 Q N -0.163 119.598 119.800 -0.065 0.000 1.969 173 Q HA -0.214 4.126 4.340 -0.000 0.000 0.198 173 Q C 2.250 178.256 176.000 0.010 0.000 0.978 173 Q CA 1.341 57.154 55.803 0.017 0.000 0.830 173 Q CB -0.014 28.816 28.738 0.153 0.000 0.896 173 Q HN 0.365 nan 8.270 nan 0.000 0.431 174 K N 0.143 120.556 120.400 0.021 0.000 2.107 174 K HA -0.241 4.079 4.320 -0.000 0.000 0.211 174 K C 1.987 178.582 176.600 -0.008 0.000 1.049 174 K CA 1.442 57.734 56.287 0.008 0.000 0.927 174 K CB -0.192 32.316 32.500 0.013 0.000 0.714 174 K HN 0.179 nan 8.250 nan 0.000 0.452 175 A N 0.913 123.722 122.820 -0.019 0.000 1.873 175 A HA -0.138 4.181 4.320 -0.000 0.000 0.215 175 A C 1.964 179.536 177.584 -0.020 0.000 1.186 175 A CA 1.271 53.296 52.037 -0.021 0.000 0.616 175 A CB -0.311 18.671 19.000 -0.030 0.000 0.823 175 A HN 0.209 nan 8.150 nan 0.000 0.442 176 R N -0.728 119.756 120.500 -0.026 0.000 2.328 176 R HA 0.195 4.535 4.340 -0.000 0.000 0.206 176 R C 0.943 177.234 176.300 -0.015 0.000 0.990 176 R CA 0.809 56.897 56.100 -0.021 0.000 1.085 176 R CB -0.483 29.802 30.300 -0.027 0.000 0.998 176 R HN 0.745 nan 8.270 nan 0.000 0.484 177 G N 0.340 109.132 108.800 -0.013 0.000 2.132 177 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.234 177 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.234 177 G C -0.041 174.848 174.900 -0.018 0.000 0.989 177 G CA 0.443 45.535 45.100 -0.014 0.000 0.676 177 G HN 0.359 nan 8.290 nan 0.000 0.522 178 K N 0.615 121.006 120.400 -0.016 0.000 2.502 178 K HA 0.852 5.172 4.320 -0.000 0.000 0.256 178 K C 0.606 177.181 176.600 -0.043 0.000 1.053 178 K CA -0.136 56.135 56.287 -0.027 0.000 1.002 178 K CB 0.732 33.225 32.500 -0.013 0.000 1.384 178 K HN 0.539 nan 8.250 nan 0.000 0.537 179 E N -1.372 118.771 120.200 -0.094 0.000 2.439 179 E HA 0.140 4.490 4.350 -0.000 0.000 0.279 179 E C -0.649 175.706 176.600 -0.409 0.000 1.077 179 E CA -0.457 55.834 56.400 -0.182 0.000 0.849 179 E CB 0.370 29.977 29.700 -0.155 0.000 1.408 179 E HN 0.480 nan 8.360 nan 0.000 0.457 180 D N 0.426 120.427 120.400 -0.665 0.000 2.263 180 D HA -0.216 4.424 4.640 -0.000 0.000 0.208 180 D C 1.307 177.160 176.300 -0.744 0.000 0.971 180 D CA 1.409 54.684 54.000 -1.208 0.000 0.867 180 D CB -0.201 39.867 40.800 -1.220 0.000 0.929 180 D HN 0.560 nan 8.370 nan 0.000 0.492 181 D N 1.081 121.228 120.400 -0.421 0.000 2.228 181 D HA -0.246 4.394 4.640 -0.000 0.000 0.203 181 D C 0.997 177.158 176.300 -0.231 0.000 0.988 181 D CA 1.151 54.990 54.000 -0.268 0.000 0.864 181 D CB -0.183 40.512 40.800 -0.176 0.000 0.928 181 D HN 0.285 nan 8.370 nan 0.000 0.469 182 D N 1.009 121.258 120.400 -0.252 0.000 2.113 182 D HA -0.056 4.583 4.640 -0.000 0.000 0.206 182 D C 2.234 178.457 176.300 -0.129 0.000 0.979 182 D CA 1.582 55.495 54.000 -0.146 0.000 0.862 182 D CB -0.763 39.982 40.800 -0.092 0.000 1.013 182 D HN 0.427 nan 8.370 nan 0.000 0.455 183 G N 0.967 109.660 108.800 -0.179 0.000 2.776 183 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.209 183 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.209 183 G C 1.732 176.622 174.900 -0.016 0.000 1.145 183 G CA -0.002 45.123 45.100 0.042 0.000 0.791 183 G HN 0.077 nan 8.290 nan 0.000 0.530 184 V N 1.149 120.907 119.914 -0.261 0.000 2.215 184 V HA -0.252 3.868 4.120 -0.000 0.000 0.249 184 V C 2.354 178.426 176.094 -0.037 0.000 1.054 184 V CA 2.388 64.593 62.300 -0.158 0.000 1.012 184 V CB -0.339 31.368 31.823 -0.193 0.000 0.639 184 V HN 0.561 nan 8.190 nan 0.000 0.448 185 E N -0.652 119.517 120.200 -0.051 0.000 2.403 185 E HA 0.030 4.380 4.350 -0.000 0.000 0.187 185 E C 1.192 177.759 176.600 -0.056 0.000 1.073 185 E CA 0.092 56.471 56.400 -0.035 0.000 0.888 185 E CB -0.124 29.554 29.700 -0.037 0.000 1.035 185 E HN 0.745 nan 8.360 nan 0.000 0.471 186 N N 0.215 118.884 118.700 -0.052 0.000 2.652 186 N HA 0.193 4.932 4.740 -0.000 0.000 0.226 186 N C 0.020 175.524 175.510 -0.010 0.000 1.023 186 N CA 0.209 53.175 53.050 -0.140 0.000 1.126 186 N CB 0.400 38.795 38.487 -0.154 0.000 1.476 186 N HN -0.056 nan 8.380 nan 0.000 0.537 187 M N 0.169 119.831 119.600 0.103 0.000 2.093 187 M HA 0.292 4.772 4.480 -0.000 0.000 0.297 187 M C -0.039 176.351 176.300 0.151 0.000 0.938 187 M CA -0.218 55.185 55.300 0.171 0.000 0.920 187 M CB 2.518 35.195 32.600 0.128 0.000 1.517 187 M HN -0.016 nan 8.290 nan 0.000 0.427 188 S N 2.587 118.405 115.700 0.195 0.000 2.470 188 S HA 0.008 4.478 4.470 -0.000 0.000 0.222 188 S C 1.577 176.254 174.600 0.130 0.000 1.024 188 S CA 0.413 58.717 58.200 0.174 0.000 0.931 188 S CB 0.098 63.383 63.200 0.142 0.000 0.791 188 S HN 0.921 nan 8.310 nan 0.000 0.513 189 W N 1.745 123.056 121.300 0.018 0.000 2.331 189 W HA -0.125 4.535 4.660 -0.001 0.000 0.291 189 W C 1.244 177.707 176.519 -0.094 0.000 1.214 189 W CA 0.548 57.874 57.345 -0.032 0.000 1.228 189 W CB -1.242 28.180 29.460 -0.063 0.000 1.135 189 W HN 0.261 nan 8.180 nan 0.000 0.537 190 I N -0.709 119.114 120.570 -1.246 0.000 2.264 190 I HA -0.200 3.969 4.170 -0.000 0.000 0.248 190 I C 1.566 177.099 176.117 -0.973 0.000 1.111 190 I CA 1.486 61.864 61.300 -1.537 0.000 1.382 190 I CB -0.427 36.413 38.000 -1.933 0.000 1.060 190 I HN -0.107 nan 8.210 nan 0.000 0.418 191 W N 0.091 121.213 121.300 -0.297 0.000 2.758 191 W HA 0.462 5.122 4.660 -0.000 0.000 0.355 191 W C 0.549 177.012 176.519 -0.094 0.000 1.223 191 W CA -0.903 56.340 57.345 -0.170 0.000 1.182 191 W CB 0.618 29.990 29.460 -0.147 0.000 1.464 191 W HN -0.222 nan 8.180 nan 0.000 0.630 192 G N 2.038 110.957 108.800 0.199 0.000 2.741 192 G HA2 0.357 4.316 3.960 -0.000 0.000 0.301 192 G HA3 0.357 4.316 3.960 -0.000 0.000 0.301 192 G C -0.493 174.461 174.900 0.089 0.000 0.834 192 G CA -0.248 44.916 45.100 0.106 0.000 1.683 192 G HN 0.186 nan 8.290 nan 0.000 0.506 193 K N 2.131 122.583 120.400 0.085 0.000 2.565 193 K HA 0.317 4.636 4.320 -0.000 0.000 0.249 193 K C 1.123 177.757 176.600 0.058 0.000 0.958 193 K CA -0.809 55.517 56.287 0.065 0.000 0.806 193 K CB 2.295 34.839 32.500 0.073 0.000 1.194 193 K HN 0.262 nan 8.250 nan 0.000 0.434 194 G N 2.533 111.358 108.800 0.042 0.000 2.450 194 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.220 194 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.220 194 G C 1.108 176.031 174.900 0.039 0.000 1.130 194 G CA 0.985 46.108 45.100 0.038 0.000 0.760 194 G HN 0.752 nan 8.290 nan 0.000 0.557 195 N N -0.417 118.307 118.700 0.039 0.000 2.627 195 N HA -0.023 4.717 4.740 -0.000 0.000 0.196 195 N C -0.037 175.504 175.510 0.052 0.000 1.268 195 N CA 0.503 53.576 53.050 0.039 0.000 0.904 195 N CB -0.596 37.911 38.487 0.033 0.000 1.016 195 N HN 0.243 nan 8.380 nan 0.000 0.448 196 C N -0.314 119.024 119.300 0.064 0.000 3.181 196 C HA 0.687 5.147 4.460 -0.000 0.000 0.362 196 C C -1.639 173.400 174.990 0.082 0.000 1.125 196 C CA -0.959 58.106 59.018 0.079 0.000 1.265 196 C CB 1.071 28.885 27.740 0.124 0.000 1.632 196 C HN 0.616 nan 8.230 nan 0.000 0.525 197 R N 4.878 125.417 120.500 0.066 0.000 2.572 197 R HA 0.525 4.864 4.340 -0.000 0.000 0.273 197 R C -1.856 174.467 176.300 0.039 0.000 1.168 197 R CA -0.606 55.530 56.100 0.061 0.000 1.021 197 R CB 0.763 31.088 30.300 0.041 0.000 1.249 197 R HN 0.771 nan 8.270 nan 0.000 0.423 198 L N 3.259 124.527 121.223 0.076 0.000 2.477 198 L HA 0.230 4.570 4.340 -0.000 0.000 0.272 198 L C 0.296 177.195 176.870 0.048 0.000 1.157 198 L CA 0.059 54.937 54.840 0.064 0.000 0.889 198 L CB 0.684 42.816 42.059 0.123 0.000 1.158 198 L HN 0.572 nan 8.230 nan 0.000 0.473 199 E N 3.978 124.188 120.200 0.018 0.000 2.174 199 E HA 0.201 4.550 4.350 -0.000 0.000 0.282 199 E C -0.426 176.279 176.600 0.176 0.000 0.992 199 E CA -0.537 55.898 56.400 0.057 0.000 0.803 199 E CB 0.802 30.434 29.700 -0.113 0.000 1.090 199 E HN 0.344 nan 8.360 nan 0.000 0.396 200 R N 3.819 124.400 120.500 0.135 0.000 2.234 200 R HA 0.201 4.541 4.340 -0.000 0.000 0.324 200 R C -0.425 175.905 176.300 0.051 0.000 1.054 200 R CA -0.244 55.900 56.100 0.074 0.000 0.912 200 R CB 0.694 31.022 30.300 0.048 0.000 1.030 200 R HN 0.555 nan 8.270 nan 0.000 0.455 201 S N 3.154 118.751 115.700 -0.171 0.000 2.629 201 S HA -0.041 4.428 4.470 -0.000 0.000 0.302 201 S C 1.162 175.706 174.600 -0.093 0.000 1.244 201 S CA -0.395 57.626 58.200 -0.298 0.000 1.098 201 S CB 0.617 63.481 63.200 -0.561 0.000 0.858 201 S HN 0.575 nan 8.310 nan 0.000 0.502 202 V N 5.571 125.487 119.914 0.004 0.000 3.510 202 V HA -0.075 4.045 4.120 -0.000 0.000 0.270 202 V C 2.312 178.336 176.094 -0.117 0.000 1.201 202 V CA 1.501 63.790 62.300 -0.017 0.000 1.166 202 V CB -0.947 30.920 31.823 0.072 0.000 0.825 202 V HN 1.059 nan 8.190 nan 0.000 0.484 203 S N 0.814 116.415 115.700 -0.165 0.000 2.383 203 S HA -0.163 4.307 4.470 -0.000 0.000 0.229 203 S C 2.099 176.543 174.600 -0.259 0.000 1.030 203 S CA 1.545 59.587 58.200 -0.262 0.000 1.002 203 S CB -0.847 62.156 63.200 -0.329 0.000 0.829 203 S HN 0.543 nan 8.310 nan 0.000 0.467 204 G N 1.310 109.995 108.800 -0.191 0.000 2.498 204 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.219 204 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.219 204 G C 1.024 175.837 174.900 -0.145 0.000 1.119 204 G CA 1.001 46.002 45.100 -0.165 0.000 0.766 204 G HN 0.605 nan 8.290 nan 0.000 0.552 205 D N -0.176 120.148 120.400 -0.127 0.000 2.490 205 D HA 0.024 4.664 4.640 -0.000 0.000 0.244 205 D C 2.706 178.945 176.300 -0.102 0.000 0.979 205 D CA 0.167 54.108 54.000 -0.098 0.000 0.924 205 D CB -0.287 40.474 40.800 -0.066 0.000 1.075 205 D HN 0.153 nan 8.370 nan 0.000 0.488 206 V N 1.347 121.179 119.914 -0.137 0.000 2.358 206 V HA -0.163 3.957 4.120 -0.000 0.000 0.246 206 V C 2.611 178.589 176.094 -0.194 0.000 1.047 206 V CA 1.075 63.278 62.300 -0.162 0.000 1.035 206 V CB -0.260 31.456 31.823 -0.179 0.000 0.658 206 V HN 0.026 nan 8.190 nan 0.000 0.452 207 V N -0.111 119.669 119.914 -0.223 0.000 2.323 207 V HA -0.079 4.040 4.120 -0.000 0.000 0.244 207 V C 0.117 176.074 176.094 -0.229 0.000 1.041 207 V CA 2.014 64.164 62.300 -0.251 0.000 1.025 207 V CB -1.648 29.977 31.823 -0.329 0.000 0.656 207 V HN 0.480 nan 8.190 nan 0.000 0.451 208 P HA -0.244 nan 4.420 nan 0.000 0.217 208 P C 1.742 179.017 177.300 -0.042 0.000 1.158 208 P CA 1.742 64.774 63.100 -0.114 0.000 0.887 208 P CB -0.064 31.590 31.700 -0.076 0.000 0.792 209 K N -0.676 119.702 120.400 -0.037 0.000 2.097 209 K HA -0.129 4.190 4.320 -0.000 0.000 0.206 209 K C 1.962 178.370 176.600 -0.319 0.000 1.049 209 K CA 1.374 57.534 56.287 -0.212 0.000 0.933 209 K CB -0.565 31.830 32.500 -0.175 0.000 0.717 209 K HN -0.036 nan 8.250 nan 0.000 0.442 210 A N 1.765 124.417 122.820 -0.280 0.000 1.873 210 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 210 A C 2.095 179.629 177.584 -0.084 0.000 1.193 210 A CA 1.802 53.715 52.037 -0.207 0.000 0.629 210 A CB -0.709 18.237 19.000 -0.090 0.000 0.826 210 A HN 0.334 nan 8.150 nan 0.000 0.447 211 I N -0.313 120.153 120.570 -0.173 0.000 2.163 211 I HA -0.309 3.860 4.170 -0.000 0.000 0.243 211 I C 2.946 178.972 176.117 -0.152 0.000 1.085 211 I CA 1.255 62.434 61.300 -0.201 0.000 1.347 211 I CB -0.414 37.398 38.000 -0.313 0.000 1.044 211 I HN 0.373 nan 8.210 nan 0.000 0.408 212 A N 0.228 122.941 122.820 -0.179 0.000 1.969 212 A HA -0.201 4.118 4.320 -0.000 0.000 0.218 212 A C 1.901 179.384 177.584 -0.168 0.000 1.169 212 A CA 1.869 53.789 52.037 -0.195 0.000 0.635 212 A CB -0.457 18.317 19.000 -0.378 0.000 0.810 212 A HN 0.343 nan 8.150 nan 0.000 0.445 213 D N 0.026 120.330 120.400 -0.160 0.000 2.149 213 D HA 0.043 4.683 4.640 -0.000 0.000 0.201 213 D C 2.228 178.583 176.300 0.092 0.000 0.972 213 D CA 1.298 55.273 54.000 -0.042 0.000 0.835 213 D CB -0.434 40.317 40.800 -0.083 0.000 0.966 213 D HN 0.386 nan 8.370 nan 0.000 0.476 214 A N 0.645 123.530 122.820 0.108 0.000 1.978 214 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 214 A C 2.458 180.078 177.584 0.059 0.000 1.170 214 A CA 1.186 53.272 52.037 0.082 0.000 0.636 214 A CB -0.699 18.320 19.000 0.031 0.000 0.810 214 A HN 0.158 nan 8.150 nan 0.000 0.448 215 V N -0.523 119.392 119.914 0.001 0.000 2.358 215 V HA -0.194 3.925 4.120 -0.000 0.000 0.246 215 V C 2.595 178.734 176.094 0.076 0.000 1.047 215 V CA 2.138 64.438 62.300 -0.000 0.000 1.035 215 V CB -0.668 31.109 31.823 -0.077 0.000 0.658 215 V HN 0.613 nan 8.190 nan 0.000 0.452 216 R N -0.324 120.202 120.500 0.043 0.000 2.148 216 R HA -0.099 4.241 4.340 -0.000 0.000 0.227 216 R C 2.263 178.612 176.300 0.080 0.000 1.103 216 R CA 1.295 57.426 56.100 0.051 0.000 0.983 216 R CB -0.295 30.014 30.300 0.015 0.000 0.874 216 R HN 0.535 nan 8.270 nan 0.000 0.451 217 A N 0.025 122.903 122.820 0.097 0.000 1.855 217 A HA -0.214 4.105 4.320 -0.000 0.000 0.215 217 A C 1.862 179.505 177.584 0.097 0.000 1.191 217 A CA 1.202 53.290 52.037 0.084 0.000 0.613 217 A CB -1.102 17.947 19.000 0.082 0.000 0.829 217 A HN 0.667 nan 8.150 nan 0.000 0.442 218 W N 0.439 121.724 121.300 -0.025 0.000 2.325 218 W HA -0.208 4.452 4.660 -0.000 0.000 0.299 218 W C 1.952 178.462 176.519 -0.016 0.000 1.215 218 W CA 2.379 59.707 57.345 -0.028 0.000 1.244 218 W CB -0.110 29.315 29.460 -0.058 0.000 1.140 218 W HN 0.127 nan 8.180 nan 0.000 0.523 219 V N 0.126 120.167 119.914 0.212 0.000 2.346 219 V HA -0.233 3.887 4.120 -0.000 0.000 0.244 219 V C 2.130 178.221 176.094 -0.005 0.000 1.037 219 V CA 2.283 64.644 62.300 0.103 0.000 1.029 219 V CB -0.763 31.162 31.823 0.169 0.000 0.663 219 V HN 0.086 nan 8.190 nan 0.000 0.454 220 E N 0.414 120.620 120.200 0.010 0.000 2.110 220 E HA -0.277 4.073 4.350 -0.000 0.000 0.193 220 E C 2.223 178.788 176.600 -0.057 0.000 0.988 220 E CA 1.668 58.063 56.400 -0.007 0.000 0.804 220 E CB -0.326 29.378 29.700 0.008 0.000 0.745 220 E HN 0.667 nan 8.360 nan 0.000 0.458 221 Q N -0.349 119.387 119.800 -0.106 0.000 2.226 221 Q HA -0.157 4.182 4.340 -0.000 0.000 0.204 221 Q C 1.151 177.027 176.000 -0.208 0.000 0.975 221 Q CA 1.350 57.062 55.803 -0.152 0.000 0.866 221 Q CB 0.112 28.741 28.738 -0.181 0.000 0.915 221 Q HN 0.350 nan 8.270 nan 0.000 0.440 222 Q N -0.308 119.327 119.800 -0.275 0.000 2.159 222 Q HA 0.141 4.480 4.340 -0.000 0.000 0.217 222 Q C -0.831 175.108 176.000 -0.101 0.000 0.818 222 Q CA -0.215 55.434 55.803 -0.256 0.000 1.008 222 Q CB 0.900 29.333 28.738 -0.509 0.000 1.148 222 Q HN 0.204 nan 8.270 nan 0.000 0.491 223 K N 0.540 120.911 120.400 -0.049 0.000 3.540 223 K HA -0.242 4.078 4.320 -0.000 0.000 0.274 223 K C 0.351 176.981 176.600 0.049 0.000 0.890 223 K CA 0.076 56.367 56.287 0.006 0.000 0.701 223 K CB -1.271 31.218 32.500 -0.017 0.000 1.523 223 K HN 0.259 nan 8.250 nan 0.000 0.450 224 F N 0.773 120.696 119.950 -0.045 0.000 2.236 224 F HA -0.292 4.234 4.527 -0.001 0.000 0.302 224 F C 2.300 178.112 175.800 0.020 0.000 1.073 224 F CA 1.857 59.852 58.000 -0.008 0.000 1.336 224 F CB -0.103 38.942 39.000 0.076 0.000 1.040 224 F HN 0.426 nan 8.300 nan 0.000 0.507 225 A N -0.752 122.097 122.820 0.048 0.000 1.908 225 A HA -0.204 4.115 4.320 -0.000 0.000 0.218 225 A C 2.376 179.906 177.584 -0.089 0.000 1.181 225 A CA 2.175 54.199 52.037 -0.022 0.000 0.627 225 A CB -1.149 17.871 19.000 0.033 0.000 0.818 225 A HN 0.426 nan 8.150 nan 0.000 0.445 226 S N -0.498 115.160 115.700 -0.071 0.000 2.357 226 S HA -0.101 4.369 4.470 -0.000 0.000 0.221 226 S C 1.838 176.380 174.600 -0.097 0.000 1.031 226 S CA 1.227 59.389 58.200 -0.064 0.000 0.982 226 S CB -0.506 62.670 63.200 -0.040 0.000 0.853 226 S HN 0.445 nan 8.310 nan 0.000 0.458 227 L N 1.962 123.087 121.223 -0.163 0.000 2.043 227 L HA -0.111 4.229 4.340 -0.000 0.000 0.212 227 L C 2.511 179.266 176.870 -0.191 0.000 1.075 227 L CA 1.737 56.467 54.840 -0.183 0.000 0.752 227 L CB -0.320 41.571 42.059 -0.280 0.000 0.891 227 L HN 0.173 nan 8.230 nan 0.000 0.432 228 R N -0.989 119.284 120.500 -0.378 0.000 2.055 228 R HA -0.111 4.229 4.340 -0.000 0.000 0.228 228 R C 2.230 178.509 176.300 -0.035 0.000 1.143 228 R CA 1.257 57.201 56.100 -0.260 0.000 0.945 228 R CB -0.512 29.566 30.300 -0.370 0.000 0.841 228 R HN 0.468 nan 8.270 nan 0.000 0.429 229 A N 0.285 123.073 122.820 -0.053 0.000 1.958 229 A HA -0.246 4.074 4.320 -0.000 0.000 0.221 229 A C 2.181 179.770 177.584 0.008 0.000 1.178 229 A CA 2.272 54.303 52.037 -0.010 0.000 0.642 229 A CB -0.840 18.149 19.000 -0.018 0.000 0.816 229 A HN 0.531 nan 8.150 nan 0.000 0.453 230 S N -1.653 114.050 115.700 0.005 0.000 2.368 230 S HA -0.192 4.277 4.470 -0.000 0.000 0.224 230 S C 1.802 176.427 174.600 0.041 0.000 1.029 230 S CA 1.313 59.520 58.200 0.013 0.000 0.988 230 S CB -0.586 62.618 63.200 0.007 0.000 0.838 230 S HN 0.732 nan 8.310 nan 0.000 0.462 231 W N 2.470 123.709 121.300 -0.102 0.000 2.305 231 W HA -0.178 4.481 4.660 -0.001 0.000 0.308 231 W C 1.386 177.866 176.519 -0.067 0.000 1.226 231 W CA 2.013 59.303 57.345 -0.091 0.000 1.253 231 W CB -0.355 29.034 29.460 -0.118 0.000 1.146 231 W HN 0.423 nan 8.180 nan 0.000 0.507 232 E N 0.554 120.767 120.200 0.022 0.000 2.396 232 E HA -0.145 4.205 4.350 -0.000 0.000 0.200 232 E C 0.457 176.959 176.600 -0.163 0.000 1.023 232 E CA 1.203 57.573 56.400 -0.050 0.000 0.857 232 E CB -0.292 29.427 29.700 0.031 0.000 0.775 232 E HN 0.444 nan 8.360 nan 0.000 0.525 248 G N 1.475 110.342 108.800 0.112 0.000 2.770 248 G HA2 0.491 4.450 3.960 -0.000 0.000 0.307 248 G HA3 0.491 4.450 3.960 -0.000 0.000 0.307 248 G C -0.426 174.600 174.900 0.210 0.000 0.863 248 G CA -0.121 45.071 45.100 0.154 0.000 1.595 248 G HN -0.006 nan 8.290 nan 0.000 0.496 249 V N 4.313 124.292 119.914 0.109 0.000 2.432 249 V HA 0.171 4.291 4.120 -0.000 0.000 0.271 249 V C 0.862 176.962 176.094 0.010 0.000 1.046 249 V CA -0.562 61.790 62.300 0.087 0.000 0.945 249 V CB 1.001 32.845 31.823 0.035 0.000 0.992 249 V HN 0.484 nan 8.190 nan 0.000 0.471 250 L N 4.218 125.382 121.223 -0.099 0.000 2.461 250 L HA 0.223 4.562 4.340 -0.000 0.000 0.272 250 L C 0.338 177.210 176.870 0.004 0.000 1.197 250 L CA -0.317 54.429 54.840 -0.157 0.000 0.836 250 L CB 0.392 42.212 42.059 -0.398 0.000 1.105 250 L HN 0.620 nan 8.230 nan 0.000 0.477 251 D N 0.268 120.715 120.400 0.078 0.000 2.372 251 D HA 0.023 4.662 4.640 -0.000 0.000 0.243 251 D C 1.335 177.745 176.300 0.182 0.000 1.121 251 D CA -0.035 54.030 54.000 0.109 0.000 0.898 251 D CB 1.177 42.057 40.800 0.134 0.000 1.202 251 D HN 0.655 nan 8.370 nan 0.000 0.428 252 T N -1.219 113.421 114.554 0.144 0.000 2.881 252 T HA 0.021 4.371 4.350 -0.000 0.000 0.270 252 T C 0.780 175.628 174.700 0.247 0.000 1.068 252 T CA 0.734 62.948 62.100 0.190 0.000 1.131 252 T CB 0.083 69.020 68.868 0.114 0.000 0.871 252 T HN 0.462 nan 8.240 nan 0.000 0.479 253 A N 2.065 124.960 122.820 0.125 0.000 2.354 253 A HA 0.828 5.148 4.320 -0.000 0.000 0.321 253 A C -2.623 174.875 177.584 -0.144 0.000 1.125 253 A CA -2.222 49.811 52.037 -0.008 0.000 0.799 253 A CB 1.531 20.528 19.000 -0.006 0.000 1.293 253 A HN 0.251 nan 8.150 nan 0.000 0.452 254 P HA 0.671 nan 4.420 nan 0.000 0.310 254 P C -0.978 176.141 177.300 -0.302 0.000 1.309 254 P CA -0.530 62.318 63.100 -0.420 0.000 0.769 254 P CB 1.277 32.551 31.700 -0.710 0.000 1.327 255 V N -0.968 118.722 119.914 -0.374 0.000 3.012 255 V HA 0.185 4.305 4.120 -0.000 0.000 0.307 255 V C -0.417 175.467 176.094 -0.349 0.000 1.166 255 V CA -0.866 61.243 62.300 -0.318 0.000 0.974 255 V CB 2.572 34.190 31.823 -0.343 0.000 1.040 255 V HN 0.163 nan 8.190 nan 0.000 0.428 256 V N 5.192 124.940 119.914 -0.277 0.000 2.372 256 V HA 0.264 4.384 4.120 -0.000 0.000 0.261 256 V C -0.043 175.883 176.094 -0.279 0.000 1.055 256 V CA -0.278 61.867 62.300 -0.257 0.000 0.930 256 V CB 1.031 32.739 31.823 -0.191 0.000 1.031 256 V HN 0.595 nan 8.190 nan 0.000 0.479 257 L N 7.983 129.025 121.223 -0.302 0.000 2.360 257 L HA 0.432 4.772 4.340 -0.000 0.000 0.276 257 L C -0.104 176.588 176.870 -0.298 0.000 1.121 257 L CA 0.460 55.117 54.840 -0.305 0.000 0.845 257 L CB 1.205 43.094 42.059 -0.284 0.000 1.143 257 L HN 0.391 nan 8.230 nan 0.000 0.452 258 V N 6.340 126.064 119.914 -0.317 0.000 2.347 258 V HA 0.330 4.450 4.120 -0.000 0.000 0.280 258 V C -0.080 175.874 176.094 -0.234 0.000 1.021 258 V CA -0.766 61.345 62.300 -0.315 0.000 0.847 258 V CB 1.346 32.922 31.823 -0.412 0.000 0.990 258 V HN 0.534 nan 8.190 nan 0.000 0.444 259 V N 6.723 126.465 119.914 -0.288 0.000 2.339 259 V HA 0.312 4.432 4.120 -0.000 0.000 0.261 259 V C 0.356 176.425 176.094 -0.043 0.000 1.058 259 V CA -0.259 61.954 62.300 -0.144 0.000 0.897 259 V CB 0.976 32.718 31.823 -0.135 0.000 1.052 259 V HN 0.745 nan 8.190 nan 0.000 0.480 260 V N 2.888 122.795 119.914 -0.012 0.000 3.302 260 V HA 0.628 4.748 4.120 -0.000 0.000 0.316 260 V C -0.065 176.007 176.094 -0.037 0.000 1.111 260 V CA -0.879 61.419 62.300 -0.003 0.000 1.029 260 V CB 1.333 33.183 31.823 0.044 0.000 1.170 260 V HN 0.713 nan 8.190 nan 0.000 0.452 261 Q N -0.418 119.354 119.800 -0.045 0.000 2.185 261 Q HA 0.385 4.725 4.340 -0.000 0.000 0.225 261 Q C 0.443 176.402 176.000 -0.069 0.000 0.983 261 Q CA -0.604 55.153 55.803 -0.077 0.000 0.950 261 Q CB 1.066 29.757 28.738 -0.079 0.000 1.176 261 Q HN 0.742 nan 8.270 nan 0.000 0.510 262 E N 0.297 120.451 120.200 -0.077 0.000 2.474 262 E HA -0.005 4.344 4.350 -0.000 0.000 0.194 262 E C -0.176 176.392 176.600 -0.054 0.000 1.041 262 E CA 0.348 56.710 56.400 -0.064 0.000 0.874 262 E CB 0.273 29.932 29.700 -0.068 0.000 0.914 262 E HN 0.439 nan 8.360 nan 0.000 0.498 263 N N 0.697 119.366 118.700 -0.053 0.000 2.577 263 N HA -0.023 4.717 4.740 -0.000 0.000 0.285 263 N C -0.993 174.492 175.510 -0.041 0.000 1.658 263 N CA -0.106 52.918 53.050 -0.045 0.000 0.865 263 N CB 0.440 38.905 38.487 -0.037 0.000 1.419 263 N HN -0.181 nan 8.380 nan 0.000 0.495 264 E N 1.012 121.184 120.200 -0.046 0.000 2.696 264 E HA -0.148 4.202 4.350 -0.000 0.000 0.270 264 E C 0.812 177.392 176.600 -0.033 0.000 0.958 264 E CA 0.948 57.324 56.400 -0.039 0.000 0.964 264 E CB 0.497 30.167 29.700 -0.049 0.000 0.948 264 E HN 0.531 nan 8.360 nan 0.000 0.472 265 R N 2.321 122.808 120.500 -0.022 0.000 2.509 265 R HA 0.230 4.570 4.340 -0.000 0.000 0.297 265 R C 0.618 176.912 176.300 -0.010 0.000 0.951 265 R CA -0.327 55.765 56.100 -0.014 0.000 1.103 265 R CB 0.014 30.311 30.300 -0.006 0.000 1.283 265 R HN 0.206 nan 8.270 nan 0.000 0.534 266 N N 2.066 120.751 118.700 -0.025 0.000 2.375 266 N HA -0.039 4.701 4.740 -0.000 0.000 0.220 266 N C 0.861 176.355 175.510 -0.027 0.000 1.170 266 N CA 0.656 53.680 53.050 -0.043 0.000 0.833 266 N CB 0.351 38.770 38.487 -0.114 0.000 1.069 266 N HN 0.404 nan 8.380 nan 0.000 0.479 267 T N -2.930 111.632 114.554 0.015 0.000 2.746 267 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 267 T C 1.975 176.771 174.700 0.160 0.000 1.039 267 T CA 1.146 63.301 62.100 0.092 0.000 1.142 267 T CB -0.464 68.487 68.868 0.137 0.000 0.866 267 T HN 0.121 nan 8.240 nan 0.000 0.444 268 A N 2.348 125.222 122.820 0.090 0.000 1.929 268 A HA -0.326 3.994 4.320 -0.000 0.000 0.221 268 A C 2.181 179.801 177.584 0.060 0.000 1.211 268 A CA 2.610 54.688 52.037 0.068 0.000 0.657 268 A CB -1.431 17.581 19.000 0.019 0.000 0.827 268 A HN 0.607 nan 8.150 nan 0.000 0.462 269 D N -1.248 119.158 120.400 0.010 0.000 2.084 269 D HA -0.140 4.500 4.640 -0.000 0.000 0.196 269 D C 2.247 178.516 176.300 -0.051 0.000 0.985 269 D CA 1.658 55.633 54.000 -0.042 0.000 0.826 269 D CB -0.338 40.384 40.800 -0.130 0.000 0.978 269 D HN 0.637 nan 8.370 nan 0.000 0.456 270 Q N -1.188 118.584 119.800 -0.046 0.000 2.061 270 Q HA -0.205 4.135 4.340 -0.000 0.000 0.204 270 Q C 2.200 178.119 176.000 -0.135 0.000 0.984 270 Q CA 1.434 57.186 55.803 -0.085 0.000 0.846 270 Q CB -0.259 28.441 28.738 -0.063 0.000 0.902 270 Q HN 0.458 nan 8.270 nan 0.000 0.421 271 Y N -0.041 120.238 120.300 -0.036 0.000 2.263 271 Y HA -0.133 4.416 4.550 -0.000 0.000 0.292 271 Y C 2.355 178.180 175.900 -0.125 0.000 1.130 271 Y CA 0.842 58.898 58.100 -0.073 0.000 1.179 271 Y CB -0.458 38.016 38.460 0.023 0.000 0.998 271 Y HN 0.142 nan 8.280 nan 0.000 0.532 272 A N 0.205 123.058 122.820 0.055 0.000 1.917 272 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 272 A C 2.229 179.760 177.584 -0.087 0.000 1.182 272 A CA 1.937 53.964 52.037 -0.018 0.000 0.633 272 A CB -1.058 17.924 19.000 -0.031 0.000 0.819 272 A HN 0.467 nan 8.150 nan 0.000 0.448 273 L N -1.231 119.913 121.223 -0.132 0.000 2.007 273 L HA -0.094 4.245 4.340 -0.000 0.000 0.205 273 L C 2.573 179.286 176.870 -0.261 0.000 1.073 273 L CA 1.073 55.798 54.840 -0.191 0.000 0.744 273 L CB -0.627 41.313 42.059 -0.198 0.000 0.898 273 L HN 0.332 nan 8.230 nan 0.000 0.435 274 L N -0.756 120.231 121.223 -0.394 0.000 2.191 274 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 274 L C 2.665 179.178 176.870 -0.595 0.000 1.103 274 L CA 0.763 55.160 54.840 -0.738 0.000 0.769 274 L CB -0.283 40.893 42.059 -1.472 0.000 0.908 274 L HN 0.352 nan 8.230 nan 0.000 0.438 275 M N -0.950 118.498 119.600 -0.254 0.000 2.296 275 M HA -0.157 4.323 4.480 -0.000 0.000 0.265 275 M C 2.278 178.549 176.300 -0.048 0.000 1.064 275 M CA 1.264 56.558 55.300 -0.011 0.000 1.109 275 M CB -0.773 31.867 32.600 0.067 0.000 1.396 275 M HN 0.138 nan 8.290 nan 0.000 0.430 276 R N 0.322 120.747 120.500 -0.126 0.000 2.127 276 R HA 0.013 4.352 4.340 -0.000 0.000 0.217 276 R C 1.853 178.028 176.300 -0.208 0.000 1.074 276 R CA 0.829 56.828 56.100 -0.169 0.000 0.991 276 R CB -0.579 29.611 30.300 -0.184 0.000 0.895 276 R HN 0.159 nan 8.270 nan 0.000 0.450 277 V N 0.965 120.798 119.914 -0.135 0.000 2.343 277 V HA -0.202 3.918 4.120 -0.000 0.000 0.247 277 V C 2.104 178.216 176.094 0.030 0.000 1.051 277 V CA 1.674 63.956 62.300 -0.030 0.000 1.036 277 V CB -0.625 31.158 31.823 -0.067 0.000 0.654 277 V HN 0.292 nan 8.190 nan 0.000 0.451 278 L N 0.340 121.606 121.223 0.071 0.000 1.993 278 L HA -0.072 4.268 4.340 -0.000 0.000 0.206 278 L C 2.381 179.280 176.870 0.047 0.000 1.074 278 L CA 1.953 56.868 54.840 0.126 0.000 0.746 278 L CB -0.780 41.440 42.059 0.267 0.000 0.896 278 L HN 0.315 nan 8.230 nan 0.000 0.435 279 E N -0.669 119.540 120.200 0.015 0.000 2.028 279 E HA -0.250 4.099 4.350 -0.000 0.000 0.191 279 E C 2.020 178.585 176.600 -0.058 0.000 0.988 279 E CA 1.485 57.877 56.400 -0.014 0.000 0.799 279 E CB -0.058 29.629 29.700 -0.021 0.000 0.755 279 E HN 0.691 nan 8.360 nan 0.000 0.447 280 E N -0.203 119.909 120.200 -0.147 0.000 2.102 280 E HA -0.110 4.239 4.350 -0.000 0.000 0.190 280 E C 1.668 178.155 176.600 -0.188 0.000 0.971 280 E CA 0.649 56.910 56.400 -0.231 0.000 0.821 280 E CB 0.190 29.650 29.700 -0.400 0.000 0.777 280 E HN 0.245 nan 8.360 nan 0.000 0.460 281 H N 0.433 119.483 119.070 -0.034 0.000 2.553 281 H HA 0.251 4.807 4.556 -0.000 0.000 0.265 281 H C 0.126 175.439 175.328 -0.025 0.000 0.964 281 H CA 0.720 56.745 56.048 -0.039 0.000 1.156 281 H CB 0.626 30.350 29.762 -0.063 0.000 1.411 281 H HN 0.092 nan 8.280 nan 0.000 0.558 282 R N -0.295 120.251 120.500 0.077 0.000 3.532 282 R HA -0.129 4.211 4.340 -0.000 0.000 0.284 282 R C -0.615 175.708 176.300 0.038 0.000 1.140 282 R CA 0.307 56.436 56.100 0.049 0.000 0.768 282 R CB -3.125 27.200 30.300 0.042 0.000 1.252 282 R HN 0.333 nan 8.270 nan 0.000 0.454 283 I N 1.129 121.726 120.570 0.044 0.000 2.466 283 I HA 0.330 4.499 4.170 -0.000 0.000 0.289 283 I C 0.728 176.860 176.117 0.026 0.000 1.026 283 I CA -0.931 60.375 61.300 0.010 0.000 1.078 283 I CB 1.904 39.896 38.000 -0.014 0.000 1.249 283 I HN -0.101 nan 8.210 nan 0.000 0.429 284 R N 4.888 125.370 120.500 -0.031 0.000 2.694 284 R HA 0.408 4.748 4.340 -0.000 0.000 0.268 284 R C -0.993 175.243 176.300 -0.107 0.000 1.061 284 R CA 0.022 56.064 56.100 -0.098 0.000 1.133 284 R CB 0.464 30.675 30.300 -0.148 0.000 1.020 284 R HN 0.458 nan 8.270 nan 0.000 0.475 285 F N 1.075 120.877 119.950 -0.247 0.000 2.540 285 F HA 0.609 5.135 4.527 -0.001 0.000 0.317 285 F C -0.466 175.070 175.800 -0.441 0.000 1.104 285 F CA -1.649 56.123 58.000 -0.380 0.000 0.913 285 F CB 0.962 39.706 39.000 -0.428 0.000 1.170 285 F HN 0.380 nan 8.300 nan 0.000 0.450 286 I N 0.674 120.954 120.570 -0.482 0.000 2.569 286 I HA 0.661 4.831 4.170 -0.000 0.000 0.296 286 I C -1.905 173.984 176.117 -0.380 0.000 1.028 286 I CA -0.910 60.119 61.300 -0.451 0.000 1.082 286 I CB 2.154 39.814 38.000 -0.566 0.000 1.264 286 I HN 0.593 nan 8.210 nan 0.000 0.429 287 F N 4.997 124.879 119.950 -0.113 0.000 2.408 287 F HA 0.649 5.176 4.527 -0.000 0.000 0.344 287 F C 0.504 176.247 175.800 -0.094 0.000 1.112 287 F CA -0.487 57.458 58.000 -0.092 0.000 1.096 287 F CB 1.089 40.052 39.000 -0.062 0.000 1.129 287 F HN 0.362 nan 8.300 nan 0.000 0.486 288 R N 0.518 121.050 120.500 0.053 0.000 2.808 288 R HA 0.502 4.842 4.340 -0.000 0.000 0.272 288 R C -0.391 175.914 176.300 0.009 0.000 0.995 288 R CA -0.802 55.313 56.100 0.024 0.000 0.917 288 R CB 2.008 32.298 30.300 -0.017 0.000 1.217 288 R HN 0.752 nan 8.270 nan 0.000 0.471 289 T N -2.166 112.388 114.554 0.001 0.000 2.897 289 T HA 0.378 4.728 4.350 -0.000 0.000 0.278 289 T C 1.711 176.396 174.700 -0.026 0.000 0.981 289 T CA -0.822 61.262 62.100 -0.026 0.000 0.973 289 T CB 0.707 69.550 68.868 -0.041 0.000 1.092 289 T HN 0.410 nan 8.240 nan 0.000 0.543 290 L N 0.239 121.424 121.223 -0.063 0.000 2.093 290 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 290 L C 3.045 179.914 176.870 -0.002 0.000 1.085 290 L CA 1.303 56.115 54.840 -0.046 0.000 0.755 290 L CB -0.648 41.308 42.059 -0.173 0.000 0.904 290 L HN 0.693 nan 8.230 nan 0.000 0.435 291 Q N 0.154 119.935 119.800 -0.030 0.000 2.096 291 Q HA -0.227 4.112 4.340 -0.000 0.000 0.204 291 Q C 2.017 178.049 176.000 0.054 0.000 0.982 291 Q CA 1.662 57.462 55.803 -0.004 0.000 0.850 291 Q CB -0.210 28.509 28.738 -0.032 0.000 0.901 291 Q HN 0.491 nan 8.270 nan 0.000 0.422 292 E N 0.044 120.268 120.200 0.040 0.000 2.208 292 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 292 E C 1.864 178.507 176.600 0.073 0.000 0.988 292 E CA 0.470 56.904 56.400 0.056 0.000 0.828 292 E CB -0.068 29.654 29.700 0.037 0.000 0.763 292 E HN 0.299 nan 8.360 nan 0.000 0.478 293 L N 0.368 121.632 121.223 0.068 0.000 2.131 293 L HA -0.197 4.142 4.340 -0.000 0.000 0.210 293 L C 2.491 179.419 176.870 0.097 0.000 1.092 293 L CA 1.192 56.073 54.840 0.068 0.000 0.759 293 L CB -0.492 41.603 42.059 0.060 0.000 0.903 293 L HN 0.210 nan 8.230 nan 0.000 0.435 294 H N -0.060 119.032 119.070 0.037 0.000 2.426 294 H HA -0.178 4.378 4.556 -0.001 0.000 0.298 294 H C 1.898 177.251 175.328 0.042 0.000 1.107 294 H CA 1.822 57.898 56.048 0.046 0.000 1.298 294 H CB 0.217 30.007 29.762 0.047 0.000 1.377 294 H HN 0.242 nan 8.280 nan 0.000 0.519 295 L N -1.977 119.278 121.223 0.053 0.000 2.433 295 L HA 0.070 4.410 4.340 -0.000 0.000 0.200 295 L C 2.532 179.412 176.870 0.017 0.000 1.059 295 L CA 0.603 55.448 54.840 0.009 0.000 0.835 295 L CB -0.110 41.994 42.059 0.075 0.000 1.076 295 L HN 0.088 nan 8.230 nan 0.000 0.481 296 S N 0.588 116.312 115.700 0.041 0.000 2.374 296 S HA -0.137 4.333 4.470 -0.000 0.000 0.227 296 S C 0.652 175.270 174.600 0.029 0.000 1.037 296 S CA 1.042 59.265 58.200 0.039 0.000 1.024 296 S CB -0.304 62.922 63.200 0.043 0.000 0.861 296 S HN 0.115 nan 8.310 nan 0.000 0.456 297 L N 1.917 123.153 121.223 0.022 0.000 2.312 297 L HA 0.477 4.817 4.340 -0.000 0.000 0.281 297 L C -0.477 176.401 176.870 0.014 0.000 1.070 297 L CA 0.220 55.073 54.840 0.022 0.000 0.805 297 L CB 0.662 42.736 42.059 0.024 0.000 1.174 297 L HN -0.083 nan 8.230 nan 0.000 0.434 298 K N 5.671 126.092 120.400 0.036 0.000 2.523 298 K HA 0.515 4.834 4.320 -0.000 0.000 0.257 298 K C -1.684 174.903 176.600 -0.022 0.000 0.932 298 K CA -0.741 55.541 56.287 -0.010 0.000 0.812 298 K CB 2.195 34.697 32.500 0.003 0.000 1.326 298 K HN 0.528 nan 8.250 nan 0.000 0.433 299 L N 2.798 123.946 121.223 -0.126 0.000 2.309 299 L HA 0.471 4.810 4.340 -0.000 0.000 0.282 299 L C -0.716 176.017 176.870 -0.227 0.000 1.036 299 L CA -0.821 53.982 54.840 -0.062 0.000 0.806 299 L CB 0.935 42.992 42.059 -0.003 0.000 1.220 299 L HN 0.559 nan 8.230 nan 0.000 0.429 300 H N 0.653 119.815 119.070 0.152 0.000 2.727 300 H HA 0.329 4.885 4.556 -0.001 0.000 0.330 300 H C -0.490 174.943 175.328 0.176 0.000 0.986 300 H CA -0.298 55.869 56.048 0.198 0.000 1.251 300 H CB 1.837 31.817 29.762 0.362 0.000 1.493 300 H HN 0.493 nan 8.280 nan 0.000 0.515 301 S N 2.224 118.047 115.700 0.206 0.000 2.603 301 S HA 0.183 4.653 4.470 -0.000 0.000 0.268 301 S C 0.645 175.334 174.600 0.150 0.000 1.317 301 S CA -0.147 58.139 58.200 0.144 0.000 1.012 301 S CB 0.686 63.934 63.200 0.081 0.000 0.926 301 S HN 0.506 nan 8.310 nan 0.000 0.539 302 I N 0.922 121.558 120.570 0.110 0.000 3.878 302 I HA 0.219 4.388 4.170 -0.000 0.000 0.273 302 I C 0.434 176.577 176.117 0.044 0.000 1.165 302 I CA 0.472 61.823 61.300 0.085 0.000 1.360 302 I CB 0.417 38.472 38.000 0.092 0.000 1.539 302 I HN 0.541 nan 8.210 nan 0.000 0.447 303 S N 0.903 116.624 115.700 0.035 0.000 2.733 303 S HA 0.440 4.910 4.470 -0.000 0.000 0.294 303 S C -2.256 172.355 174.600 0.017 0.000 1.149 303 S CA -1.301 56.910 58.200 0.017 0.000 1.034 303 S CB 1.320 64.522 63.200 0.005 0.000 1.015 303 S HN -0.169 nan 8.310 nan 0.000 0.486 304 P HA -0.121 nan 4.420 nan 0.000 0.219 304 P C 0.500 177.804 177.300 0.008 0.000 1.144 304 P CA 1.267 64.376 63.100 0.014 0.000 0.806 304 P CB 0.110 31.817 31.700 0.011 0.000 0.771 305 E N -1.853 118.347 120.200 0.000 0.000 2.502 305 E HA -0.021 4.328 4.350 -0.000 0.000 0.194 305 E C 0.582 177.169 176.600 -0.022 0.000 1.062 305 E CA 0.256 56.650 56.400 -0.010 0.000 0.867 305 E CB -0.034 29.659 29.700 -0.012 0.000 0.888 305 E HN 0.190 nan 8.360 nan 0.000 0.510 306 Q N 0.412 120.204 119.800 -0.013 0.000 2.347 306 Q HA 0.255 4.595 4.340 -0.000 0.000 0.271 306 Q C -2.616 173.387 176.000 0.006 0.000 1.064 306 Q CA -2.717 53.074 55.803 -0.020 0.000 0.800 306 Q CB 1.879 30.603 28.738 -0.024 0.000 1.304 306 Q HN -0.145 nan 8.270 nan 0.000 0.438 307 P HA 0.233 nan 4.420 nan 0.000 0.272 307 P C -2.617 174.730 177.300 0.079 0.000 1.230 307 P CA -1.229 61.898 63.100 0.045 0.000 0.788 307 P CB 0.127 31.859 31.700 0.054 0.000 0.949 308 P HA 0.156 nan 4.420 nan 0.000 0.285 308 P C -0.192 177.223 177.300 0.192 0.000 1.259 308 P CA -0.593 62.591 63.100 0.140 0.000 0.794 308 P CB 0.521 32.291 31.700 0.116 0.000 0.940 309 L N 2.902 124.272 121.223 0.246 0.000 2.559 309 L HA 0.240 4.580 4.340 -0.000 0.000 0.282 309 L C -0.120 176.904 176.870 0.257 0.000 1.232 309 L CA 0.267 55.288 54.840 0.301 0.000 0.885 309 L CB -0.541 41.697 42.059 0.298 0.000 1.131 309 L HN 0.524 nan 8.230 nan 0.000 0.498 310 A N 6.099 129.043 122.820 0.206 0.000 2.258 310 A HA 0.627 4.947 4.320 -0.000 0.000 0.316 310 A C -0.695 176.941 177.584 0.087 0.000 1.279 310 A CA -0.232 51.884 52.037 0.133 0.000 0.876 310 A CB 0.674 19.718 19.000 0.074 0.000 1.170 310 A HN 1.071 nan 8.150 nan 0.000 0.520 311 V N 1.790 121.776 119.914 0.119 0.000 2.398 311 V HA 0.711 4.831 4.120 -0.000 0.000 0.286 311 V C -0.129 175.981 176.094 0.025 0.000 1.026 311 V CA -0.741 61.580 62.300 0.034 0.000 0.868 311 V CB 1.008 32.823 31.823 -0.013 0.000 0.982 311 V HN 0.485 nan 8.190 nan 0.000 0.443 312 V N 4.566 124.465 119.914 -0.026 0.000 2.509 312 V HA 0.426 4.546 4.120 -0.000 0.000 0.284 312 V C 0.668 176.712 176.094 -0.084 0.000 1.047 312 V CA 0.236 62.525 62.300 -0.018 0.000 0.952 312 V CB 0.953 32.769 31.823 -0.013 0.000 0.988 312 V HN 1.138 nan 8.190 nan 0.000 0.469 313 D N 3.457 123.833 120.400 -0.039 0.000 3.059 313 D HA -0.193 4.447 4.640 -0.000 0.000 0.220 313 D C 1.297 177.581 176.300 -0.028 0.000 1.169 313 D CA 1.727 55.697 54.000 -0.050 0.000 0.902 313 D CB -1.289 39.443 40.800 -0.114 0.000 1.116 313 D HN 1.367 nan 8.370 nan 0.000 0.417 314 G N -0.047 108.748 108.800 -0.007 0.000 2.233 314 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.270 314 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.270 314 G C 0.639 175.558 174.900 0.032 0.000 1.011 314 G CA 1.742 46.875 45.100 0.056 0.000 0.762 314 G HN 0.858 nan 8.290 nan 0.000 0.511 315 H N -4.064 114.941 119.070 -0.107 0.000 2.192 315 H HA 0.059 4.615 4.556 -0.000 0.000 0.176 315 H C 0.331 175.583 175.328 -0.127 0.000 0.901 315 H CA -0.102 55.841 56.048 -0.174 0.000 0.923 315 H CB 0.162 29.784 29.762 -0.235 0.000 1.057 315 H HN 0.199 nan 8.280 nan 0.000 0.394 316 Y N 5.760 125.688 120.300 -0.621 0.000 2.784 316 Y HA 0.207 4.757 4.550 -0.001 0.000 0.355 316 Y C -2.139 173.609 175.900 -0.253 0.000 1.198 316 Y CA -2.161 55.730 58.100 -0.349 0.000 1.588 316 Y CB 0.052 38.266 38.460 -0.410 0.000 1.220 316 Y HN 0.217 nan 8.280 nan 0.000 0.517 317 P HA 0.144 nan 4.420 nan 0.000 0.286 317 P C -0.418 176.675 177.300 -0.345 0.000 1.269 317 P CA -0.179 62.853 63.100 -0.115 0.000 0.787 317 P CB 1.271 32.986 31.700 0.024 0.000 0.920 318 I N 3.302 123.635 120.570 -0.396 0.000 2.287 318 I HA 0.162 4.332 4.170 -0.000 0.000 0.290 318 I C 1.518 177.008 176.117 -1.044 0.000 1.069 318 I CA -0.355 60.622 61.300 -0.539 0.000 1.237 318 I CB 0.365 38.180 38.000 -0.308 0.000 1.418 318 I HN 0.406 nan 8.210 nan 0.000 0.481 319 A N 6.602 128.709 122.820 -1.188 0.000 1.898 319 A HA 0.142 4.462 4.320 -0.000 0.000 0.214 319 A C 0.899 177.958 177.584 -0.875 0.000 1.183 319 A CA 0.911 51.991 52.037 -1.595 0.000 0.622 319 A CB 0.305 18.800 19.000 -0.842 0.000 0.824 319 A HN 0.437 nan 8.150 nan 0.000 0.444 320 V N -0.742 118.869 119.914 -0.505 0.000 2.686 320 V HA 0.599 4.719 4.120 -0.000 0.000 0.306 320 V C -0.438 175.500 176.094 -0.259 0.000 1.065 320 V CA -0.538 61.594 62.300 -0.280 0.000 0.894 320 V CB 1.480 33.178 31.823 -0.208 0.000 1.004 320 V HN 0.477 nan 8.190 nan 0.000 0.424 321 A N 4.465 127.160 122.820 -0.209 0.000 2.366 321 A HA 0.630 4.950 4.320 -0.000 0.000 0.322 321 A C -1.036 176.336 177.584 -0.352 0.000 1.397 321 A CA -0.244 51.594 52.037 -0.331 0.000 0.984 321 A CB -0.084 18.723 19.000 -0.323 0.000 1.149 321 A HN 0.830 nan 8.150 nan 0.000 0.540 322 Y N 3.293 123.304 120.300 -0.483 0.000 2.353 322 Y HA 0.588 5.138 4.550 -0.001 0.000 0.340 322 Y C -1.352 174.312 175.900 -0.392 0.000 0.972 322 Y CA -1.807 56.091 58.100 -0.336 0.000 1.157 322 Y CB 0.369 38.675 38.460 -0.257 0.000 1.157 322 Y HN 0.518 nan 8.280 nan 0.000 0.495 323 F N 6.295 126.125 119.950 -0.199 0.000 2.404 323 F HA 0.441 4.967 4.527 -0.000 0.000 0.358 323 F C 0.665 176.183 175.800 -0.470 0.000 1.120 323 F CA -0.528 57.316 58.000 -0.259 0.000 1.144 323 F CB 0.857 39.824 39.000 -0.055 0.000 1.133 323 F HN 0.295 nan 8.300 nan 0.000 0.495 324 R N 2.388 122.716 120.500 -0.288 0.000 3.534 324 R HA 0.390 4.730 4.340 -0.000 0.000 0.312 324 R C -0.368 175.968 176.300 0.059 0.000 1.419 324 R CA -0.241 55.745 56.100 -0.190 0.000 1.262 324 R CB 0.337 30.482 30.300 -0.258 0.000 1.437 324 R HN 0.647 nan 8.270 nan 0.000 0.627 325 S N -1.083 114.740 115.700 0.205 0.000 2.683 325 S HA 0.131 4.601 4.470 -0.000 0.000 0.264 325 S C -0.394 174.307 174.600 0.169 0.000 1.066 325 S CA 0.564 58.888 58.200 0.206 0.000 0.846 325 S CB 0.512 63.726 63.200 0.024 0.000 1.114 325 S HN 0.580 nan 8.310 nan 0.000 0.476 326 T N -0.426 114.085 114.554 -0.073 0.000 5.496 326 T HA -0.228 4.121 4.350 -0.000 0.000 0.269 326 T C 0.433 175.325 174.700 0.319 0.000 2.195 326 T CA 2.235 64.297 62.100 -0.064 0.000 3.732 326 T CB -3.055 65.749 68.868 -0.107 0.000 0.680 326 T HN 1.777 nan 8.240 nan 0.000 1.131 327 Y N -0.352 120.051 120.300 0.171 0.000 2.449 327 Y HA 0.802 5.351 4.550 -0.001 0.000 0.254 327 Y C 0.458 176.586 175.900 0.381 0.000 1.140 327 Y CA -0.650 57.602 58.100 0.253 0.000 1.272 327 Y CB 0.459 38.889 38.460 -0.050 0.000 1.114 327 Y HN 0.385 nan 8.280 nan 0.000 0.525 328 V N 1.912 121.759 119.914 -0.112 0.000 2.769 328 V HA 0.275 4.394 4.120 -0.000 0.000 0.312 328 V C -1.635 174.340 176.094 -0.198 0.000 1.061 328 V CA -2.121 60.067 62.300 -0.186 0.000 0.931 328 V CB 2.043 33.611 31.823 -0.425 0.000 1.010 328 V HN -0.185 nan 8.190 nan 0.000 0.433 329 P HA -0.158 nan 4.420 nan 0.000 0.214 329 P C 1.322 178.516 177.300 -0.177 0.000 1.163 329 P CA 1.135 63.883 63.100 -0.587 0.000 0.889 329 P CB 0.318 31.651 31.700 -0.612 0.000 0.790 330 E N -0.781 119.305 120.200 -0.191 0.000 2.352 330 E HA -0.191 4.159 4.350 -0.000 0.000 0.203 330 E C 1.072 177.575 176.600 -0.161 0.000 1.024 330 E CA 1.179 57.494 56.400 -0.141 0.000 0.842 330 E CB -0.691 28.924 29.700 -0.141 0.000 0.753 330 E HN 0.360 nan 8.360 nan 0.000 0.508 331 D N -1.382 118.888 120.400 -0.216 0.000 2.360 331 D HA 0.010 4.649 4.640 -0.000 0.000 0.210 331 D C -0.321 175.649 176.300 -0.550 0.000 1.047 331 D CA 0.231 54.022 54.000 -0.349 0.000 0.854 331 D CB 0.247 40.791 40.800 -0.426 0.000 0.936 331 D HN 0.145 nan 8.370 nan 0.000 0.514 332 F N 1.374 121.171 119.950 -0.256 0.000 2.532 332 F HA 0.254 4.781 4.527 -0.000 0.000 0.313 332 F C -1.466 174.239 175.800 -0.159 0.000 1.301 332 F CA -1.852 55.901 58.000 -0.412 0.000 1.154 332 F CB 1.349 39.828 39.000 -0.868 0.000 1.335 332 F HN -0.140 nan 8.300 nan 0.000 0.542 333 P HA -0.015 nan 4.420 nan 0.000 0.214 333 P C 0.768 178.122 177.300 0.090 0.000 1.167 333 P CA 1.022 64.149 63.100 0.045 0.000 0.882 333 P CB -0.141 31.549 31.700 -0.015 0.000 0.777 334 T N -3.057 111.527 114.554 0.050 0.000 2.847 334 T HA 0.214 4.564 4.350 -0.000 0.000 0.279 334 T C 0.920 175.708 174.700 0.147 0.000 0.984 334 T CA -0.472 61.669 62.100 0.068 0.000 0.988 334 T CB 0.732 69.599 68.868 -0.002 0.000 1.040 334 T HN -0.159 nan 8.240 nan 0.000 0.528 335 D N 0.091 120.584 120.400 0.154 0.000 2.234 335 D HA 0.044 4.684 4.640 -0.000 0.000 0.205 335 D C 2.295 178.709 176.300 0.190 0.000 0.962 335 D CA 1.047 55.197 54.000 0.248 0.000 0.855 335 D CB -0.485 40.413 40.800 0.163 0.000 0.951 335 D HN 0.700 nan 8.370 nan 0.000 0.500 336 A N 0.052 122.876 122.820 0.007 0.000 1.948 336 A HA -0.224 4.095 4.320 -0.000 0.000 0.220 336 A C 2.277 179.916 177.584 0.092 0.000 1.177 336 A CA 2.422 54.380 52.037 -0.132 0.000 0.636 336 A CB -0.963 17.747 19.000 -0.483 0.000 0.815 336 A HN 0.319 nan 8.150 nan 0.000 0.449 337 T N -1.322 113.276 114.554 0.074 0.000 2.622 337 T HA -0.250 4.099 4.350 -0.000 0.000 0.266 337 T C 1.549 176.409 174.700 0.267 0.000 1.047 337 T CA 1.556 63.689 62.100 0.056 0.000 1.159 337 T CB -0.553 68.257 68.868 -0.097 0.000 0.863 337 T HN 0.741 nan 8.240 nan 0.000 0.422 338 W N 1.606 123.153 121.300 0.412 0.000 2.374 338 W HA 0.118 4.778 4.660 -0.000 0.000 0.288 338 W C 2.920 179.550 176.519 0.184 0.000 1.218 338 W CA 0.410 57.903 57.345 0.246 0.000 1.245 338 W CB -0.535 28.939 29.460 0.024 0.000 1.126 338 W HN 0.284 nan 8.180 nan 0.000 0.545 339 A N 0.659 123.708 122.820 0.382 0.000 1.877 339 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 339 A C 2.093 179.834 177.584 0.260 0.000 1.186 339 A CA 2.415 54.627 52.037 0.292 0.000 0.620 339 A CB -1.329 17.865 19.000 0.323 0.000 0.822 339 A HN 0.191 nan 8.150 nan 0.000 0.443 340 A N -0.182 122.801 122.820 0.271 0.000 1.865 340 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 340 A C 2.189 179.906 177.584 0.222 0.000 1.191 340 A CA 2.284 54.448 52.037 0.212 0.000 0.623 340 A CB -0.529 18.577 19.000 0.178 0.000 0.826 340 A HN 0.473 nan 8.150 nan 0.000 0.444 341 R N -0.472 120.201 120.500 0.288 0.000 2.103 341 R HA -0.155 4.184 4.340 -0.000 0.000 0.242 341 R C 1.909 178.373 176.300 0.274 0.000 1.142 341 R CA 1.875 58.176 56.100 0.335 0.000 0.960 341 R CB -0.911 29.678 30.300 0.482 0.000 0.858 341 R HN 0.460 nan 8.270 nan 0.000 0.439 342 L N 0.111 121.481 121.223 0.244 0.000 1.970 342 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 342 L C 1.983 178.932 176.870 0.132 0.000 1.071 342 L CA 2.379 57.318 54.840 0.165 0.000 0.751 342 L CB -0.928 41.217 42.059 0.142 0.000 0.889 342 L HN 0.260 nan 8.230 nan 0.000 0.432 343 S N -0.132 115.646 115.700 0.130 0.000 2.381 343 S HA -0.281 4.189 4.470 -0.000 0.000 0.230 343 S C 1.980 176.643 174.600 0.106 0.000 1.052 343 S CA 2.112 60.371 58.200 0.097 0.000 1.068 343 S CB -0.817 62.434 63.200 0.086 0.000 0.918 343 S HN 0.482 nan 8.310 nan 0.000 0.448 344 L N 0.609 121.918 121.223 0.144 0.000 2.056 344 L HA -0.100 4.240 4.340 -0.000 0.000 0.207 344 L C 2.798 179.769 176.870 0.169 0.000 1.078 344 L CA 1.342 56.275 54.840 0.155 0.000 0.749 344 L CB -0.439 41.752 42.059 0.220 0.000 0.901 344 L HN 0.257 nan 8.230 nan 0.000 0.433 345 E N 0.637 120.943 120.200 0.177 0.000 2.072 345 E HA -0.188 4.162 4.350 -0.000 0.000 0.191 345 E C 2.208 178.842 176.600 0.057 0.000 0.985 345 E CA 1.264 57.754 56.400 0.149 0.000 0.801 345 E CB 0.061 29.842 29.700 0.134 0.000 0.750 345 E HN 0.238 nan 8.360 nan 0.000 0.452 346 R N 0.558 121.077 120.500 0.031 0.000 2.237 346 R HA 0.010 4.350 4.340 -0.000 0.000 0.219 346 R C 1.417 177.750 176.300 0.055 0.000 1.080 346 R CA 0.665 56.766 56.100 0.002 0.000 0.995 346 R CB -0.417 29.887 30.300 0.006 0.000 0.875 346 R HN 0.169 nan 8.270 nan 0.000 0.462 347 S N 0.060 115.816 115.700 0.093 0.000 2.625 347 S HA 0.010 4.480 4.470 -0.000 0.000 0.258 347 S C 1.228 175.927 174.600 0.165 0.000 1.256 347 S CA -0.148 58.129 58.200 0.128 0.000 0.983 347 S CB 1.145 64.422 63.200 0.129 0.000 1.032 347 S HN 0.209 nan 8.310 nan 0.000 0.572 348 S N -0.607 115.235 115.700 0.236 0.000 2.575 348 S HA 0.437 4.906 4.470 -0.000 0.000 0.215 348 S C 0.639 175.533 174.600 0.489 0.000 0.966 348 S CA -0.163 58.224 58.200 0.311 0.000 0.911 348 S CB -0.724 62.664 63.200 0.313 0.000 0.780 348 S HN 1.087 nan 8.310 nan 0.000 0.514 349 A N 2.033 125.042 122.820 0.314 0.000 2.450 349 A HA 0.533 4.853 4.320 -0.000 0.000 0.255 349 A C 0.225 177.906 177.584 0.163 0.000 1.096 349 A CA -0.568 51.553 52.037 0.140 0.000 0.778 349 A CB -0.335 18.643 19.000 -0.037 0.000 1.031 349 A HN 0.560 nan 8.150 nan 0.000 0.494 350 I N 3.021 123.684 120.570 0.156 0.000 2.578 350 I HA 0.006 4.176 4.170 -0.000 0.000 0.286 350 I C 0.470 176.622 176.117 0.060 0.000 1.126 350 I CA 0.567 61.943 61.300 0.126 0.000 1.380 350 I CB 0.128 38.199 38.000 0.118 0.000 1.408 350 I HN 0.596 nan 8.210 nan 0.000 0.532 351 K N 5.314 125.778 120.400 0.107 0.000 2.110 351 K HA 0.489 4.808 4.320 -0.000 0.000 0.263 351 K C -0.750 175.963 176.600 0.188 0.000 0.975 351 K CA -0.557 55.835 56.287 0.174 0.000 0.895 351 K CB 1.879 34.562 32.500 0.306 0.000 1.060 351 K HN 0.565 nan 8.250 nan 0.000 0.448 352 C N 5.227 124.714 119.300 0.311 0.000 3.123 352 C HA 0.422 4.881 4.460 -0.000 0.000 0.284 352 C C -2.726 172.581 174.990 0.528 0.000 1.076 352 C CA -1.919 57.307 59.018 0.347 0.000 1.416 352 C CB -0.009 27.882 27.740 0.252 0.000 1.841 352 C HN 0.638 nan 8.230 nan 0.000 0.501 353 P HA 0.297 nan 4.420 nan 0.000 0.279 353 P C -0.110 177.385 177.300 0.324 0.000 1.252 353 P CA 0.247 63.582 63.100 0.392 0.000 0.811 353 P CB 1.399 33.310 31.700 0.352 0.000 1.035 354 S N 1.250 117.050 115.700 0.167 0.000 2.603 354 S HA 0.135 4.605 4.470 -0.000 0.000 0.268 354 S C 1.654 176.380 174.600 0.210 0.000 1.317 354 S CA -0.590 57.710 58.200 0.167 0.000 1.012 354 S CB -0.166 63.053 63.200 0.032 0.000 0.926 354 S HN 0.256 nan 8.310 nan 0.000 0.539 355 I N 2.006 122.693 120.570 0.196 0.000 2.151 355 I HA -0.076 4.094 4.170 -0.000 0.000 0.243 355 I C -0.555 175.644 176.117 0.137 0.000 1.080 355 I CA 1.062 62.455 61.300 0.155 0.000 1.339 355 I CB -2.891 35.187 38.000 0.131 0.000 1.039 355 I HN 0.575 nan 8.210 nan 0.000 0.409 356 P HA -0.210 nan 4.420 nan 0.000 0.215 356 P C 1.983 179.457 177.300 0.290 0.000 1.157 356 P CA 1.765 64.939 63.100 0.124 0.000 0.874 356 P CB -0.270 31.498 31.700 0.112 0.000 0.790 357 Y N -1.459 118.910 120.300 0.114 0.000 2.128 357 Y HA -0.283 4.267 4.550 -0.001 0.000 0.284 357 Y C 3.043 179.022 175.900 0.132 0.000 1.154 357 Y CA 1.041 59.223 58.100 0.136 0.000 1.149 357 Y CB -0.920 37.684 38.460 0.240 0.000 0.976 357 Y HN 0.082 nan 8.280 nan 0.000 0.505 358 H N 0.991 120.194 119.070 0.221 0.000 2.321 358 H HA -0.219 4.337 4.556 -0.000 0.000 0.295 358 H C 2.055 177.452 175.328 0.115 0.000 1.102 358 H CA 2.063 58.182 56.048 0.118 0.000 1.266 358 H CB -0.543 29.272 29.762 0.089 0.000 1.363 358 H HN 0.323 nan 8.280 nan 0.000 0.492 359 L N -0.119 121.337 121.223 0.387 0.000 2.127 359 L HA -0.200 4.139 4.340 -0.000 0.000 0.211 359 L C 2.746 179.824 176.870 0.346 0.000 1.089 359 L CA 0.735 55.820 54.840 0.408 0.000 0.757 359 L CB -0.415 41.748 42.059 0.174 0.000 0.899 359 L HN 0.174 nan 8.230 nan 0.000 0.434 360 L N -0.596 120.714 121.223 0.145 0.000 2.456 360 L HA -0.141 4.198 4.340 -0.000 0.000 0.224 360 L C 2.259 179.096 176.870 -0.054 0.000 1.148 360 L CA 1.207 56.054 54.840 0.012 0.000 0.825 360 L CB -0.591 41.390 42.059 -0.130 0.000 0.937 360 L HN 0.232 nan 8.230 nan 0.000 0.450 361 T N -1.394 113.121 114.554 -0.064 0.000 3.085 361 T HA -0.009 4.340 4.350 -0.000 0.000 0.263 361 T C 0.454 175.020 174.700 -0.224 0.000 1.127 361 T CA 0.113 62.098 62.100 -0.192 0.000 1.103 361 T CB -0.376 68.334 68.868 -0.262 0.000 0.921 361 T HN -0.077 nan 8.240 nan 0.000 0.510 362 F N 2.241 122.166 119.950 -0.043 0.000 2.484 362 F HA 0.234 4.761 4.527 -0.000 0.000 0.360 362 F C 1.662 177.353 175.800 -0.182 0.000 1.101 362 F CA -0.758 57.191 58.000 -0.085 0.000 1.251 362 F CB 0.740 39.696 39.000 -0.073 0.000 1.132 362 F HN -0.262 nan 8.300 nan 0.000 0.570 363 K N 1.822 122.147 120.400 -0.125 0.000 2.173 363 K HA -0.244 4.076 4.320 -0.000 0.000 0.207 363 K C 1.885 178.288 176.600 -0.328 0.000 1.046 363 K CA 1.386 57.461 56.287 -0.353 0.000 0.929 363 K CB -0.112 31.899 32.500 -0.814 0.000 0.720 363 K HN 0.402 nan 8.250 nan 0.000 0.453 364 K N 0.975 121.216 120.400 -0.264 0.000 2.211 364 K HA -0.051 4.268 4.320 -0.000 0.000 0.203 364 K C 1.798 178.368 176.600 -0.050 0.000 1.050 364 K CA 0.719 56.918 56.287 -0.147 0.000 0.945 364 K CB -0.024 32.415 32.500 -0.102 0.000 0.732 364 K HN -0.035 nan 8.250 nan 0.000 0.451 365 L N 0.265 121.479 121.223 -0.015 0.000 2.307 365 L HA 0.118 4.458 4.340 -0.000 0.000 0.211 365 L C 2.347 179.212 176.870 -0.007 0.000 1.099 365 L CA 0.969 55.825 54.840 0.027 0.000 0.816 365 L CB -0.411 41.683 42.059 0.058 0.000 0.952 365 L HN 0.248 nan 8.230 nan 0.000 0.455 366 Q N -0.188 119.575 119.800 -0.061 0.000 2.030 366 Q HA -0.316 4.024 4.340 -0.000 0.000 0.204 366 Q C 2.235 178.182 176.000 -0.089 0.000 0.986 366 Q CA 2.225 57.969 55.803 -0.099 0.000 0.843 366 Q CB -0.050 28.605 28.738 -0.138 0.000 0.904 366 Q HN 0.571 nan 8.270 nan 0.000 0.420 367 Q N -0.004 119.760 119.800 -0.059 0.000 2.050 367 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 367 Q C 2.163 178.174 176.000 0.019 0.000 0.980 367 Q CA 1.401 57.194 55.803 -0.017 0.000 0.840 367 Q CB -0.137 28.613 28.738 0.019 0.000 0.898 367 Q HN 0.467 nan 8.270 nan 0.000 0.424 368 L N 0.389 121.639 121.223 0.045 0.000 2.131 368 L HA -0.173 4.166 4.340 -0.000 0.000 0.210 368 L C 2.254 179.196 176.870 0.121 0.000 1.092 368 L CA 0.676 55.580 54.840 0.106 0.000 0.759 368 L CB -0.176 41.981 42.059 0.163 0.000 0.903 368 L HN 0.333 nan 8.230 nan 0.000 0.435 369 L N -1.409 119.868 121.223 0.090 0.000 2.465 369 L HA -0.157 4.183 4.340 -0.000 0.000 0.224 369 L C 2.211 179.242 176.870 0.270 0.000 1.145 369 L CA 0.134 55.047 54.840 0.122 0.000 0.834 369 L CB -0.309 41.803 42.059 0.088 0.000 0.944 369 L HN 0.399 nan 8.230 nan 0.000 0.451 370 C N -0.752 118.667 119.300 0.199 0.000 2.472 370 C HA -0.045 4.414 4.460 -0.000 0.000 0.278 370 C C 1.220 176.331 174.990 0.201 0.000 1.447 370 C CA -0.366 58.838 59.018 0.310 0.000 1.773 370 C CB -0.921 26.882 27.740 0.105 0.000 1.793 370 C HN 0.368 nan 8.230 nan 0.000 0.544 371 D N 0.961 121.442 120.400 0.135 0.000 2.374 371 D HA 0.142 4.782 4.640 -0.000 0.000 0.240 371 D C 1.099 177.445 176.300 0.077 0.000 1.229 371 D CA 0.238 54.295 54.000 0.095 0.000 0.895 371 D CB 0.995 41.850 40.800 0.092 0.000 1.046 371 D HN 0.128 nan 8.370 nan 0.000 0.498 372 V N 3.734 123.679 119.914 0.052 0.000 2.295 372 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 372 V C 1.721 177.823 176.094 0.013 0.000 1.049 372 V CA 1.502 63.811 62.300 0.015 0.000 1.024 372 V CB -0.374 31.436 31.823 -0.021 0.000 0.648 372 V HN 0.437 nan 8.190 nan 0.000 0.447 373 D N -0.049 120.363 120.400 0.020 0.000 2.097 373 D HA -0.087 4.552 4.640 -0.000 0.000 0.197 373 D C 2.463 178.772 176.300 0.015 0.000 0.984 373 D CA 1.284 55.293 54.000 0.016 0.000 0.826 373 D CB -0.236 40.578 40.800 0.022 0.000 0.973 373 D HN 0.353 nan 8.370 nan 0.000 0.460 374 R N -0.066 120.451 120.500 0.029 0.000 2.062 374 R HA 0.043 4.383 4.340 -0.000 0.000 0.226 374 R C 2.025 178.320 176.300 -0.007 0.000 1.125 374 R CA 0.751 56.871 56.100 0.034 0.000 0.966 374 R CB 0.121 30.466 30.300 0.076 0.000 0.861 374 R HN 0.114 nan 8.270 nan 0.000 0.433 375 V N -0.135 119.769 119.914 -0.016 0.000 2.735 375 V HA -0.050 4.070 4.120 -0.000 0.000 0.234 375 V C 1.869 177.883 176.094 -0.132 0.000 1.121 375 V CA 0.317 62.542 62.300 -0.125 0.000 1.160 375 V CB -0.511 31.291 31.823 -0.034 0.000 0.908 375 V HN 0.076 nan 8.190 nan 0.000 0.495 376 L N 0.304 121.505 121.223 -0.036 0.000 2.012 376 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 376 L C 2.282 179.174 176.870 0.036 0.000 1.073 376 L CA 2.021 56.855 54.840 -0.010 0.000 0.748 376 L CB -0.378 41.721 42.059 0.065 0.000 0.891 376 L HN 0.135 nan 8.230 nan 0.000 0.431 377 V N 0.486 120.423 119.914 0.039 0.000 2.273 377 V HA -0.071 4.049 4.120 -0.000 0.000 0.242 377 V C -0.541 175.568 176.094 0.025 0.000 1.035 377 V CA 1.987 64.327 62.300 0.067 0.000 1.013 377 V CB -1.654 30.181 31.823 0.020 0.000 0.652 377 V HN 0.388 nan 8.190 nan 0.000 0.452 378 P HA 0.014 nan 4.420 nan 0.000 0.224 378 P C 1.561 178.799 177.300 -0.103 0.000 1.157 378 P CA 1.198 64.268 63.100 -0.050 0.000 0.799 378 P CB 0.283 31.954 31.700 -0.048 0.000 0.809 379 V N 0.032 119.835 119.914 -0.186 0.000 2.672 379 V HA 0.139 4.258 4.120 -0.000 0.000 0.242 379 V C 2.740 178.655 176.094 -0.298 0.000 1.059 379 V CA 1.585 63.703 62.300 -0.303 0.000 1.081 379 V CB -1.402 30.069 31.823 -0.587 0.000 0.752 379 V HN 0.027 nan 8.190 nan 0.000 0.472 380 A N -0.733 121.897 122.820 -0.316 0.000 1.911 380 A HA 0.127 4.447 4.320 -0.000 0.000 0.212 380 A C 1.651 178.924 177.584 -0.517 0.000 1.189 380 A CA 1.173 52.940 52.037 -0.450 0.000 0.639 380 A CB -0.317 18.347 19.000 -0.560 0.000 0.839 380 A HN 0.468 nan 8.150 nan 0.000 0.449 381 F N -1.340 118.546 119.950 -0.106 0.000 2.654 381 F HA 0.227 4.754 4.527 -0.000 0.000 0.303 381 F C 0.647 176.403 175.800 -0.074 0.000 1.099 381 F CA -0.932 57.016 58.000 -0.086 0.000 1.270 381 F CB -0.383 38.562 39.000 -0.091 0.000 1.024 381 F HN 0.193 nan 8.300 nan 0.000 0.548 382 C N 1.613 120.938 119.300 0.041 0.000 4.028 382 C HA -0.007 4.453 4.460 -0.000 0.000 0.300 382 C C 1.546 176.552 174.990 0.026 0.000 1.399 382 C CA 0.184 59.209 59.018 0.011 0.000 2.051 382 C CB -2.362 25.382 27.740 0.006 0.000 1.318 382 C HN 1.106 nan 8.230 nan 0.000 0.696 383 G N 0.844 109.663 108.800 0.031 0.000 2.298 383 G HA2 -0.153 3.806 3.960 -0.000 0.000 0.287 383 G HA3 -0.153 3.806 3.960 -0.000 0.000 0.287 383 G C -0.436 174.469 174.900 0.008 0.000 1.075 383 G CA 0.512 45.620 45.100 0.014 0.000 0.960 383 G HN 0.892 nan 8.290 nan 0.000 0.502 384 D N 0.104 120.517 120.400 0.021 0.000 2.472 384 D HA 0.510 5.150 4.640 -0.000 0.000 0.234 384 D C 1.404 177.636 176.300 -0.113 0.000 1.088 384 D CA 0.289 54.255 54.000 -0.056 0.000 0.882 384 D CB 0.953 41.698 40.800 -0.092 0.000 1.037 384 D HN 0.105 nan 8.370 nan 0.000 0.520 385 S N 3.126 118.770 115.700 -0.093 0.000 2.382 385 S HA -0.167 4.303 4.470 -0.000 0.000 0.228 385 S C 1.156 175.656 174.600 -0.166 0.000 1.027 385 S CA 1.288 59.425 58.200 -0.105 0.000 0.991 385 S CB 0.049 63.204 63.200 -0.075 0.000 0.823 385 S HN 0.462 nan 8.310 nan 0.000 0.469 386 D N 1.236 121.529 120.400 -0.179 0.000 2.097 386 D HA -0.073 4.567 4.640 -0.000 0.000 0.195 386 D C 2.061 178.178 176.300 -0.305 0.000 0.989 386 D CA 1.142 55.023 54.000 -0.198 0.000 0.827 386 D CB -0.267 40.437 40.800 -0.161 0.000 0.966 386 D HN 0.523 nan 8.370 nan 0.000 0.456 387 K N 0.752 120.864 120.400 -0.479 0.000 2.026 387 K HA -0.039 4.281 4.320 -0.000 0.000 0.208 387 K C 2.207 178.262 176.600 -0.908 0.000 1.048 387 K CA 1.072 56.855 56.287 -0.840 0.000 0.929 387 K CB -0.092 31.560 32.500 -1.413 0.000 0.713 387 K HN 0.005 nan 8.250 nan 0.000 0.439 388 A N 1.148 123.542 122.820 -0.709 0.000 1.933 388 A HA -0.104 4.215 4.320 -0.000 0.000 0.218 388 A C 2.360 179.776 177.584 -0.281 0.000 1.175 388 A CA 1.954 53.837 52.037 -0.256 0.000 0.628 388 A CB -1.084 17.895 19.000 -0.035 0.000 0.814 388 A HN 0.446 nan 8.150 nan 0.000 0.444 389 G N -0.204 108.439 108.800 -0.261 0.000 2.404 389 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.215 389 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.215 389 G C 1.550 176.329 174.900 -0.203 0.000 1.174 389 G CA 0.953 45.926 45.100 -0.211 0.000 0.780 389 G HN 0.424 nan 8.290 nan 0.000 0.537 390 L N 0.004 121.105 121.223 -0.204 0.000 2.042 390 L HA -0.047 4.293 4.340 -0.000 0.000 0.210 390 L C 2.883 179.708 176.870 -0.075 0.000 1.076 390 L CA 0.728 55.489 54.840 -0.133 0.000 0.749 390 L CB -0.321 41.657 42.059 -0.135 0.000 0.893 390 L HN 0.164 nan 8.230 nan 0.000 0.432 391 L N -0.621 120.510 121.223 -0.152 0.000 2.156 391 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 391 L C 2.622 179.357 176.870 -0.225 0.000 1.095 391 L CA 1.136 55.923 54.840 -0.088 0.000 0.770 391 L CB -0.448 41.471 42.059 -0.233 0.000 0.914 391 L HN 0.410 nan 8.230 nan 0.000 0.439 392 Q N 0.683 120.153 119.800 -0.550 0.000 2.181 392 Q HA -0.243 4.097 4.340 -0.000 0.000 0.205 392 Q C 2.125 178.004 176.000 -0.202 0.000 0.980 392 Q CA 1.555 56.921 55.803 -0.729 0.000 0.862 392 Q CB -0.021 28.408 28.738 -0.515 0.000 0.905 392 Q HN 0.280 nan 8.270 nan 0.000 0.429 393 R N -0.591 119.816 120.500 -0.155 0.000 2.154 393 R HA -0.172 4.168 4.340 -0.000 0.000 0.248 393 R C 1.303 177.543 176.300 -0.100 0.000 1.155 393 R CA 1.652 57.643 56.100 -0.181 0.000 0.979 393 R CB -0.252 29.840 30.300 -0.346 0.000 0.869 393 R HN 0.528 nan 8.270 nan 0.000 0.452 394 H N -1.555 117.735 119.070 0.368 0.000 2.519 394 H HA 0.106 4.662 4.556 -0.000 0.000 0.289 394 H C -0.378 175.323 175.328 0.621 0.000 1.040 394 H CA -0.041 56.332 56.048 0.540 0.000 1.165 394 H CB 0.156 30.355 29.762 0.728 0.000 1.462 394 H HN -0.021 nan 8.280 nan 0.000 0.555 395 F N 1.298 121.406 119.950 0.265 0.000 2.399 395 F HA 0.257 4.784 4.527 -0.000 0.000 0.328 395 F C 0.498 176.388 175.800 0.150 0.000 1.084 395 F CA -1.318 56.806 58.000 0.207 0.000 1.053 395 F CB 1.476 40.554 39.000 0.131 0.000 1.209 395 F HN -0.278 nan 8.300 nan 0.000 0.502 396 V N 3.694 123.736 119.914 0.213 0.000 2.357 396 V HA 0.335 4.455 4.120 -0.000 0.000 0.284 396 V C -2.291 173.839 176.094 0.060 0.000 1.018 396 V CA -2.266 60.117 62.300 0.137 0.000 0.841 396 V CB 1.040 32.936 31.823 0.122 0.000 0.991 396 V HN 0.531 nan 8.190 nan 0.000 0.437 397 P HA 0.079 nan 4.420 nan 0.000 0.261 397 P C -0.565 176.559 177.300 -0.294 0.000 1.173 397 P CA 0.451 63.433 63.100 -0.196 0.000 0.760 397 P CB 0.239 31.826 31.700 -0.188 0.000 0.783 398 Q N 2.355 121.915 119.800 -0.400 0.000 2.397 398 Q HA 0.305 4.645 4.340 -0.000 0.000 0.260 398 Q C -0.819 175.032 176.000 -0.249 0.000 1.002 398 Q CA -0.469 55.204 55.803 -0.218 0.000 0.716 398 Q CB 0.878 29.585 28.738 -0.052 0.000 1.258 398 Q HN 0.427 nan 8.270 nan 0.000 0.477 399 Y N -0.248 120.110 120.300 0.097 0.000 2.408 399 Y HA 0.549 5.099 4.550 -0.000 0.000 0.324 399 Y C 0.847 176.798 175.900 0.086 0.000 1.302 399 Y CA -0.598 57.552 58.100 0.084 0.000 1.384 399 Y CB 1.148 39.651 38.460 0.071 0.000 1.367 399 Y HN 0.363 nan 8.280 nan 0.000 0.525 408 E N 0.016 120.218 120.200 0.004 0.000 2.367 408 E HA 0.040 4.390 4.350 -0.000 0.000 0.204 408 E C 1.366 177.954 176.600 -0.021 0.000 0.840 408 E CA 0.230 56.627 56.400 -0.004 0.000 1.051 408 E CB 0.643 30.343 29.700 0.001 0.000 1.051 408 E HN 0.591 nan 8.360 nan 0.000 0.509 409 E N 0.949 121.131 120.200 -0.031 0.000 2.502 409 E HA 0.107 4.457 4.350 -0.000 0.000 0.194 409 E C 1.384 177.930 176.600 -0.089 0.000 1.062 409 E CA 0.299 56.671 56.400 -0.046 0.000 0.867 409 E CB 0.383 30.062 29.700 -0.035 0.000 0.888 409 E HN 0.085 nan 8.360 nan 0.000 0.510 410 A N 0.429 123.175 122.820 -0.123 0.000 2.063 410 A HA 0.044 4.363 4.320 -0.000 0.000 0.211 410 A C 2.200 179.707 177.584 -0.128 0.000 1.177 410 A CA 0.085 51.990 52.037 -0.221 0.000 0.759 410 A CB 0.168 18.914 19.000 -0.423 0.000 0.857 410 A HN 0.097 nan 8.150 nan 0.000 0.468 411 V N 0.340 120.216 119.914 -0.064 0.000 2.719 411 V HA -0.131 3.989 4.120 -0.000 0.000 0.252 411 V C 1.991 178.078 176.094 -0.011 0.000 1.065 411 V CA 1.795 64.081 62.300 -0.022 0.000 1.086 411 V CB -0.549 31.274 31.823 -0.001 0.000 0.700 411 V HN 0.587 nan 8.190 nan 0.000 0.467 412 E N -0.535 119.654 120.200 -0.018 0.000 2.481 412 E HA -0.040 4.310 4.350 -0.000 0.000 0.195 412 E C 1.934 178.530 176.600 -0.006 0.000 1.047 412 E CA 0.083 56.480 56.400 -0.004 0.000 0.867 412 E CB 0.158 29.853 29.700 -0.008 0.000 0.858 412 E HN 0.377 nan 8.360 nan 0.000 0.513 413 K N 0.236 120.615 120.400 -0.035 0.000 2.262 413 K HA 0.017 4.337 4.320 -0.000 0.000 0.200 413 K C 1.824 178.428 176.600 0.007 0.000 1.049 413 K CA 0.503 56.770 56.287 -0.034 0.000 0.979 413 K CB 0.390 32.835 32.500 -0.091 0.000 0.773 413 K HN 0.038 nan 8.250 nan 0.000 0.474 414 V N 1.503 121.414 119.914 -0.004 0.000 3.129 414 V HA -0.072 4.048 4.120 -0.000 0.000 0.259 414 V C 2.181 178.295 176.094 0.033 0.000 1.116 414 V CA 0.629 62.939 62.300 0.017 0.000 1.127 414 V CB -0.374 31.454 31.823 0.009 0.000 0.742 414 V HN 0.180 nan 8.190 nan 0.000 0.474 415 I N -0.341 120.254 120.570 0.042 0.000 2.118 415 I HA -0.307 3.863 4.170 -0.000 0.000 0.241 415 I C 2.578 178.733 176.117 0.064 0.000 1.070 415 I CA 1.961 63.291 61.300 0.050 0.000 1.327 415 I CB -0.377 37.662 38.000 0.065 0.000 1.034 415 I HN 0.440 nan 8.210 nan 0.000 0.405 416 H N 0.519 119.582 119.070 -0.012 0.000 2.266 416 H HA -0.042 4.513 4.556 -0.000 0.000 0.308 416 H C 0.081 175.405 175.328 -0.006 0.000 1.057 416 H CA 1.127 57.169 56.048 -0.009 0.000 1.330 416 H CB 0.044 29.799 29.762 -0.011 0.000 1.400 416 H HN 0.249 nan 8.280 nan 0.000 0.503 417 D N 0.753 121.229 120.400 0.127 0.000 2.428 417 D HA 0.115 4.755 4.640 -0.000 0.000 0.221 417 D C 0.745 177.067 176.300 0.037 0.000 1.123 417 D CA -0.075 53.963 54.000 0.063 0.000 0.869 417 D CB 2.138 42.980 40.800 0.070 0.000 1.032 417 D HN -0.019 nan 8.370 nan 0.000 0.506 418 V N 2.123 122.047 119.914 0.017 0.000 2.581 418 V HA -0.038 4.082 4.120 -0.000 0.000 0.240 418 V C 1.531 177.634 176.094 0.015 0.000 1.054 418 V CA 0.562 62.869 62.300 0.013 0.000 1.076 418 V CB -0.133 31.689 31.823 -0.001 0.000 0.748 418 V HN 0.565 nan 8.190 nan 0.000 0.474 419 L N 0.881 122.110 121.223 0.010 0.000 2.855 419 L HA 0.211 4.550 4.340 -0.000 0.000 0.245 419 L C 0.704 177.583 176.870 0.015 0.000 1.276 419 L CA 0.649 55.495 54.840 0.010 0.000 1.118 419 L CB -0.684 41.377 42.059 0.004 0.000 1.444 419 L HN 0.441 nan 8.230 nan 0.000 0.440 420 Q N 0.112 119.926 119.800 0.024 0.000 1.950 420 Q HA 0.248 4.588 4.340 -0.000 0.000 0.207 420 Q C 0.091 176.119 176.000 0.047 0.000 0.813 420 Q CA -0.075 55.744 55.803 0.028 0.000 0.989 420 Q CB 1.136 29.890 28.738 0.026 0.000 1.241 420 Q HN 0.304 nan 8.270 nan 0.000 0.418 421 R N 0.923 121.455 120.500 0.054 0.000 2.583 421 R HA 0.213 4.553 4.340 -0.000 0.000 0.282 421 R C -2.521 173.827 176.300 0.080 0.000 1.288 421 R CA -1.451 54.697 56.100 0.080 0.000 1.415 421 R CB 0.770 31.123 30.300 0.089 0.000 1.331 421 R HN 0.056 nan 8.270 nan 0.000 0.719 422 P HA -0.217 nan 4.420 nan 0.000 0.297 422 P C -0.843 176.497 177.300 0.067 0.000 1.939 422 P CA 1.071 64.211 63.100 0.067 0.000 1.725 422 P CB 0.313 32.062 31.700 0.082 0.000 0.377 423 D N -3.982 116.454 120.400 0.059 0.000 2.738 423 D HA 0.569 5.209 4.640 -0.000 0.000 0.229 423 D C -1.439 174.877 176.300 0.027 0.000 1.200 423 D CA -0.766 53.253 54.000 0.032 0.000 0.746 423 D CB 0.700 41.502 40.800 0.004 0.000 1.597 423 D HN 0.482 nan 8.370 nan 0.000 0.471 424 Q N 0.031 119.830 119.800 -0.002 0.000 3.401 424 Q HA 0.398 4.738 4.340 -0.000 0.000 0.140 424 Q C -1.693 174.377 176.000 0.117 0.000 0.991 424 Q CA -0.556 55.253 55.803 0.010 0.000 1.181 424 Q CB -0.002 28.767 28.738 0.052 0.000 1.931 424 Q HN 0.949 nan 8.270 nan 0.000 0.593 466 V N 0.911 120.859 119.914 0.057 0.000 3.048 466 V HA 0.351 4.470 4.120 -0.000 0.000 0.303 466 V C -0.839 175.351 176.094 0.161 0.000 1.214 466 V CA -1.026 61.370 62.300 0.160 0.000 0.984 466 V CB 2.443 34.420 31.823 0.256 0.000 1.054 466 V HN -0.171 nan 8.190 nan 0.000 0.430 467 V N 6.168 126.187 119.914 0.175 0.000 2.572 467 V HA 0.528 4.648 4.120 -0.000 0.000 0.291 467 V C -0.055 176.167 176.094 0.213 0.000 1.039 467 V CA 0.399 62.813 62.300 0.190 0.000 1.055 467 V CB 1.087 33.039 31.823 0.216 0.000 0.969 467 V HN 0.912 nan 8.190 nan 0.000 0.482 468 M N 6.203 125.913 119.600 0.183 0.000 2.572 468 M HA 0.572 5.052 4.480 -0.000 0.000 0.299 468 M C -0.508 175.886 176.300 0.156 0.000 1.205 468 M CA 0.124 55.517 55.300 0.154 0.000 0.876 468 M CB 2.230 34.918 32.600 0.147 0.000 1.728 468 M HN 0.604 nan 8.290 nan 0.000 0.458 469 S N 1.650 117.433 115.700 0.138 0.000 2.585 469 S HA 0.569 5.038 4.470 -0.000 0.000 0.277 469 S C -0.576 174.075 174.600 0.084 0.000 1.241 469 S CA -0.708 57.569 58.200 0.128 0.000 1.041 469 S CB 0.656 63.935 63.200 0.132 0.000 0.987 469 S HN 0.766 nan 8.310 nan 0.000 0.512 470 R N 4.051 124.583 120.500 0.053 0.000 2.221 470 R HA 0.505 4.844 4.340 -0.000 0.000 0.327 470 R C -0.771 175.484 176.300 -0.075 0.000 1.033 470 R CA -0.218 55.887 56.100 0.009 0.000 0.887 470 R CB 0.234 30.542 30.300 0.014 0.000 1.057 470 R HN 0.615 nan 8.270 nan 0.000 0.455 471 I N 3.080 123.525 120.570 -0.208 0.000 2.569 471 I HA 0.162 4.332 4.170 -0.000 0.000 0.296 471 I C -0.434 175.325 176.117 -0.596 0.000 1.028 471 I CA -1.136 59.897 61.300 -0.444 0.000 1.082 471 I CB 2.159 39.771 38.000 -0.646 0.000 1.264 471 I HN 0.462 nan 8.210 nan 0.000 0.429 472 Q N 5.013 124.561 119.800 -0.420 0.000 2.566 472 Q HA 0.334 4.673 4.340 -0.000 0.000 0.221 472 Q C -1.295 174.552 176.000 -0.255 0.000 1.195 472 Q CA -0.137 55.510 55.803 -0.260 0.000 0.967 472 Q CB -0.233 28.432 28.738 -0.121 0.000 1.337 472 Q HN 0.271 nan 8.270 nan 0.000 0.553 473 F N 1.448 121.405 119.950 0.011 0.000 2.450 473 F HA 0.150 4.677 4.527 -0.000 0.000 0.339 473 F C 0.847 176.659 175.800 0.019 0.000 1.146 473 F CA -0.410 57.596 58.000 0.010 0.000 1.267 473 F CB 0.283 39.293 39.000 0.016 0.000 1.178 473 F HN 0.472 nan 8.300 nan 0.000 0.585 474 H N 1.330 120.478 119.070 0.130 0.000 2.964 474 H HA 0.364 4.920 4.556 -0.001 0.000 0.328 474 H C -0.989 174.371 175.328 0.053 0.000 1.030 474 H CA -0.031 56.040 56.048 0.039 0.000 1.445 474 H CB 0.390 30.137 29.762 -0.026 0.000 1.449 474 H HN 0.316 nan 8.280 nan 0.000 0.581 475 V N 5.770 125.402 119.914 -0.471 0.000 2.513 475 V HA 0.387 4.506 4.120 -0.000 0.000 0.299 475 V C -0.195 175.570 176.094 -0.547 0.000 1.035 475 V CA -0.187 61.906 62.300 -0.346 0.000 0.889 475 V CB 1.516 33.243 31.823 -0.161 0.000 0.988 475 V HN 1.030 nan 8.190 nan 0.000 0.440 476 S N 2.312 117.851 115.700 -0.268 0.000 2.709 476 S HA 0.679 5.149 4.470 -0.000 0.000 0.302 476 S C -0.444 174.138 174.600 -0.030 0.000 1.127 476 S CA -0.848 57.275 58.200 -0.129 0.000 0.905 476 S CB 1.919 65.136 63.200 0.029 0.000 1.151 476 S HN 0.595 nan 8.310 nan 0.000 0.510 477 T N 0.835 115.403 114.554 0.024 0.000 2.767 477 T HA 0.732 5.081 4.350 -0.000 0.000 0.288 477 T C 0.124 174.851 174.700 0.045 0.000 0.963 477 T CA -0.466 61.659 62.100 0.041 0.000 1.019 477 T CB 0.788 69.699 68.868 0.072 0.000 0.923 477 T HN 1.090 nan 8.240 nan 0.000 0.468 478 G N 1.208 110.031 108.800 0.038 0.000 2.742 478 G HA2 0.583 4.542 3.960 -0.000 0.000 0.296 478 G HA3 0.583 4.542 3.960 -0.000 0.000 0.296 478 G C -1.168 173.761 174.900 0.048 0.000 1.436 478 G CA -0.656 44.465 45.100 0.034 0.000 0.928 478 G HN 0.630 nan 8.290 nan 0.000 0.520 479 S N -0.356 115.379 115.700 0.058 0.000 2.607 479 S HA 0.827 5.297 4.470 -0.000 0.000 0.303 479 S C -0.406 174.251 174.600 0.096 0.000 1.086 479 S CA -0.587 57.665 58.200 0.087 0.000 0.995 479 S CB 1.597 64.867 63.200 0.117 0.000 1.084 479 S HN 0.521 nan 8.310 nan 0.000 0.507 480 L N 1.112 122.405 121.223 0.117 0.000 2.277 480 L HA 0.692 5.032 4.340 -0.000 0.000 0.254 480 L C -1.655 175.311 176.870 0.159 0.000 1.044 480 L CA -0.999 53.909 54.840 0.113 0.000 0.842 480 L CB 1.823 43.925 42.059 0.072 0.000 1.422 480 L HN 0.443 nan 8.230 nan 0.000 0.422 481 L N 1.527 122.827 121.223 0.129 0.000 2.471 481 L HA 0.756 5.096 4.340 -0.000 0.000 0.263 481 L C -0.967 175.935 176.870 0.054 0.000 0.985 481 L CA 0.045 54.966 54.840 0.134 0.000 0.868 481 L CB 1.214 43.390 42.059 0.195 0.000 1.203 481 L HN 0.571 nan 8.230 nan 0.000 0.429 482 A N 3.482 126.332 122.820 0.050 0.000 2.449 482 A HA 0.793 5.113 4.320 -0.000 0.000 0.302 482 A C 0.379 177.977 177.584 0.024 0.000 1.048 482 A CA -0.570 51.480 52.037 0.021 0.000 0.708 482 A CB 1.120 20.130 19.000 0.017 0.000 1.274 482 A HN 0.711 nan 8.150 nan 0.000 0.410 483 R N 0.811 121.319 120.500 0.013 0.000 3.847 483 R HA -0.262 4.078 4.340 -0.000 0.000 0.304 483 R C 1.166 177.479 176.300 0.021 0.000 1.203 483 R CA 1.642 57.751 56.100 0.016 0.000 0.835 483 R CB -1.937 28.372 30.300 0.015 0.000 1.253 483 R HN 2.538 nan 8.270 nan 0.000 0.516 484 G N -1.589 107.228 108.800 0.028 0.000 2.195 484 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.246 484 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.246 484 G C -0.151 174.768 174.900 0.032 0.000 0.984 484 G CA 0.321 45.440 45.100 0.032 0.000 0.633 484 G HN 0.426 nan 8.290 nan 0.000 0.525 485 D N -0.551 119.872 120.400 0.039 0.000 2.374 485 D HA 0.626 5.265 4.640 -0.000 0.000 0.239 485 D C -0.155 176.192 176.300 0.077 0.000 0.991 485 D CA -0.350 53.676 54.000 0.044 0.000 0.960 485 D CB 2.323 43.144 40.800 0.035 0.000 1.284 485 D HN 0.087 nan 8.370 nan 0.000 0.512 486 V N 1.368 121.340 119.914 0.096 0.000 2.417 486 V HA 0.367 4.487 4.120 -0.000 0.000 0.291 486 V C 0.004 176.173 176.094 0.124 0.000 1.024 486 V CA -0.640 61.750 62.300 0.150 0.000 0.861 486 V CB 1.781 33.746 31.823 0.236 0.000 0.985 486 V HN 0.259 nan 8.190 nan 0.000 0.436 487 V N 4.230 124.214 119.914 0.116 0.000 2.555 487 V HA 0.523 4.643 4.120 -0.000 0.000 0.302 487 V C -0.399 175.749 176.094 0.090 0.000 1.038 487 V CA -0.763 61.589 62.300 0.088 0.000 0.887 487 V CB 1.892 33.754 31.823 0.064 0.000 0.991 487 V HN 0.916 nan 8.190 nan 0.000 0.434 488 Q N 3.587 123.433 119.800 0.077 0.000 2.282 488 Q HA 0.662 5.002 4.340 -0.000 0.000 0.260 488 Q C -1.479 174.551 176.000 0.050 0.000 0.964 488 Q CA -0.275 55.570 55.803 0.069 0.000 0.880 488 Q CB 1.606 30.386 28.738 0.069 0.000 1.286 488 Q HN 0.731 nan 8.270 nan 0.000 0.445 489 L N 4.436 125.686 121.223 0.044 0.000 2.366 489 L HA 0.361 4.701 4.340 -0.000 0.000 0.266 489 L C 0.814 177.699 176.870 0.026 0.000 1.010 489 L CA -0.708 54.150 54.840 0.030 0.000 0.879 489 L CB 1.225 43.298 42.059 0.024 0.000 1.228 489 L HN 0.726 nan 8.230 nan 0.000 0.439 490 E N 2.201 122.415 120.200 0.022 0.000 1.997 490 E HA -0.111 4.239 4.350 -0.000 0.000 0.201 490 E C 0.642 177.247 176.600 0.008 0.000 1.011 490 E CA 1.477 57.888 56.400 0.018 0.000 0.847 490 E CB 0.175 29.884 29.700 0.014 0.000 0.787 490 E HN 0.449 nan 8.360 nan 0.000 0.472 491 R N 0.661 121.160 120.500 -0.001 0.000 3.026 491 R HA 0.171 4.511 4.340 -0.000 0.000 0.317 491 R C -0.064 176.224 176.300 -0.020 0.000 1.278 491 R CA -0.016 56.073 56.100 -0.019 0.000 1.407 491 R CB 0.143 30.431 30.300 -0.019 0.000 1.368 491 R HN -0.012 nan 8.270 nan 0.000 0.612 492 N N 0.577 119.270 118.700 -0.013 0.000 2.545 492 N HA 0.179 4.919 4.740 -0.000 0.000 0.283 492 N C -1.262 174.246 175.510 -0.004 0.000 1.596 492 N CA -0.128 52.918 53.050 -0.006 0.000 0.862 492 N CB 0.670 39.160 38.487 0.005 0.000 1.422 492 N HN 0.193 nan 8.380 nan 0.000 0.489 493 M N 1.248 120.839 119.600 -0.015 0.000 2.263 493 M HA 0.455 4.934 4.480 -0.000 0.000 0.295 493 M C -1.441 174.851 176.300 -0.013 0.000 1.028 493 M CA -0.726 54.569 55.300 -0.007 0.000 0.921 493 M CB 1.432 34.034 32.600 0.003 0.000 1.601 493 M HN 0.362 nan 8.290 nan 0.000 0.440 494 C N 1.426 120.726 119.300 0.000 0.000 2.396 494 C HA 0.894 5.354 4.460 -0.000 0.000 0.321 494 C C -0.062 174.936 174.990 0.014 0.000 1.233 494 C CA -0.671 58.355 59.018 0.013 0.000 1.440 494 C CB 0.729 28.473 27.740 0.007 0.000 2.110 494 C HN 0.829 nan 8.230 nan 0.000 0.473 495 S N 1.239 116.966 115.700 0.044 0.000 2.687 495 S HA 0.608 5.078 4.470 -0.000 0.000 0.283 495 S C -0.388 174.240 174.600 0.048 0.000 1.170 495 S CA -0.430 57.797 58.200 0.045 0.000 1.008 495 S CB 1.184 64.430 63.200 0.076 0.000 1.026 495 S HN 0.904 nan 8.310 nan 0.000 0.541 496 E N 1.479 121.703 120.200 0.040 0.000 2.731 496 E HA 0.306 4.655 4.350 -0.000 0.000 0.248 496 E C -1.422 175.215 176.600 0.062 0.000 1.084 496 E CA -0.254 56.168 56.400 0.037 0.000 0.776 496 E CB 0.737 30.416 29.700 -0.035 0.000 1.404 496 E HN 0.382 nan 8.360 nan 0.000 0.395 497 V N 2.130 122.130 119.914 0.144 0.000 2.599 497 V HA 0.310 4.430 4.120 -0.000 0.000 0.300 497 V C 0.820 176.953 176.094 0.066 0.000 1.034 497 V CA 0.448 62.783 62.300 0.060 0.000 1.115 497 V CB 1.089 32.865 31.823 -0.078 0.000 0.934 497 V HN 0.642 nan 8.190 nan 0.000 0.485 498 G N 5.643 114.444 108.800 0.003 0.000 2.702 498 G HA2 0.608 4.568 3.960 -0.000 0.000 0.295 498 G HA3 0.608 4.568 3.960 -0.000 0.000 0.295 498 G C -0.860 173.952 174.900 -0.147 0.000 1.446 498 G CA -0.550 44.500 45.100 -0.083 0.000 0.983 498 G HN 0.449 nan 8.290 nan 0.000 0.520 499 I N 2.979 123.523 120.570 -0.043 0.000 2.312 499 I HA 0.347 4.517 4.170 -0.000 0.000 0.291 499 I C -0.183 175.911 176.117 -0.039 0.000 1.031 499 I CA -1.052 60.270 61.300 0.038 0.000 1.293 499 I CB 0.422 38.521 38.000 0.164 0.000 1.403 499 I HN 0.215 nan 8.210 nan 0.000 0.484 500 F N 3.784 123.763 119.950 0.048 0.000 2.406 500 F HA 0.601 5.127 4.527 -0.001 0.000 0.327 500 F C 1.129 176.904 175.800 -0.042 0.000 1.153 500 F CA -0.063 57.926 58.000 -0.019 0.000 1.218 500 F CB 1.218 40.158 39.000 -0.100 0.000 1.215 500 F HN 0.497 nan 8.300 nan 0.000 0.570 501 G N 0.318 109.258 108.800 0.234 0.000 2.753 501 G HA2 0.567 4.527 3.960 -0.000 0.000 0.297 501 G HA3 0.567 4.527 3.960 -0.000 0.000 0.297 501 G C -1.898 173.004 174.900 0.004 0.000 1.430 501 G CA -0.818 44.363 45.100 0.134 0.000 1.040 501 G HN 0.725 nan 8.290 nan 0.000 0.530 502 V N 0.028 119.945 119.914 0.005 0.000 2.715 502 V HA 0.918 5.038 4.120 -0.000 0.000 0.310 502 V C -0.341 175.801 176.094 0.079 0.000 1.054 502 V CA -1.204 61.096 62.300 0.000 0.000 0.928 502 V CB 1.636 33.511 31.823 0.087 0.000 1.007 502 V HN 0.986 nan 8.190 nan 0.000 0.437 503 I N 3.836 124.373 120.570 -0.055 0.000 2.743 503 I HA 0.638 4.808 4.170 -0.000 0.000 0.292 503 I C -2.222 173.657 176.117 -0.396 0.000 1.343 503 I CA -0.834 60.361 61.300 -0.175 0.000 1.038 503 I CB 2.135 40.079 38.000 -0.094 0.000 1.311 503 I HN 0.816 nan 8.210 nan 0.000 0.426 504 L N 7.736 128.473 121.223 -0.810 0.000 2.415 504 L HA 0.671 5.010 4.340 -0.000 0.000 0.268 504 L C -0.985 175.661 176.870 -0.373 0.000 0.984 504 L CA 0.093 54.542 54.840 -0.651 0.000 0.853 504 L CB 1.568 43.009 42.059 -1.029 0.000 1.215 504 L HN 0.632 nan 8.230 nan 0.000 0.419 505 S N 3.483 119.106 115.700 -0.128 0.000 2.570 505 S HA 1.021 5.491 4.470 -0.000 0.000 0.286 505 S C -0.278 174.332 174.600 0.017 0.000 1.099 505 S CA -0.124 58.058 58.200 -0.030 0.000 0.913 505 S CB 1.887 65.123 63.200 0.059 0.000 1.085 505 S HN 0.926 nan 8.310 nan 0.000 0.480 506 A N 1.842 124.677 122.820 0.026 0.000 3.200 506 A HA 0.970 5.290 4.320 -0.000 0.000 0.208 506 A C 0.560 178.189 177.584 0.074 0.000 1.360 506 A CA -0.613 51.451 52.037 0.044 0.000 0.892 506 A CB -0.315 18.696 19.000 0.017 0.000 1.600 506 A HN 1.846 nan 8.150 nan 0.000 0.501 507 A N 0.004 122.865 122.820 0.069 0.000 2.531 507 A HA 0.365 4.685 4.320 -0.000 0.000 0.236 507 A C 0.240 177.860 177.584 0.060 0.000 1.062 507 A CA 0.088 52.176 52.037 0.085 0.000 0.760 507 A CB -0.398 18.635 19.000 0.056 0.000 0.995 507 A HN 0.575 nan 8.150 nan 0.000 0.501 508 K N 1.041 121.476 120.400 0.058 0.000 2.447 508 K HA 0.273 4.593 4.320 -0.000 0.000 0.281 508 K C 1.005 177.621 176.600 0.027 0.000 1.031 508 K CA 1.173 57.479 56.287 0.031 0.000 1.019 508 K CB 0.123 32.628 32.500 0.008 0.000 0.918 508 K HN 1.474 nan 8.250 nan 0.000 0.476 509 G N 2.491 111.303 108.800 0.021 0.000 2.351 509 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.297 509 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.297 509 G C -0.304 174.607 174.900 0.017 0.000 1.054 509 G CA 0.416 45.526 45.100 0.018 0.000 1.123 509 G HN 0.589 nan 8.290 nan 0.000 0.512 510 S N -1.379 114.331 115.700 0.017 0.000 2.536 510 S HA 0.743 5.213 4.470 -0.000 0.000 0.298 510 S C 0.767 175.373 174.600 0.010 0.000 1.083 510 S CA 0.196 58.403 58.200 0.012 0.000 0.995 510 S CB 2.248 65.454 63.200 0.010 0.000 1.058 510 S HN 0.755 nan 8.310 nan 0.000 0.488 511 S N 1.172 116.876 115.700 0.007 0.000 2.607 511 S HA 0.003 4.472 4.470 -0.000 0.000 0.224 511 S C 1.384 175.987 174.600 0.006 0.000 0.969 511 S CA 0.249 58.453 58.200 0.007 0.000 0.927 511 S CB -0.560 62.643 63.200 0.005 0.000 0.772 511 S HN 0.642 nan 8.310 nan 0.000 0.533 512 V N 1.123 121.039 119.914 0.003 0.000 2.828 512 V HA -0.008 4.111 4.120 -0.000 0.000 0.260 512 V C 1.615 177.712 176.094 0.004 0.000 1.101 512 V CA 1.567 63.867 62.300 -0.000 0.000 1.123 512 V CB -0.943 30.877 31.823 -0.005 0.000 0.704 512 V HN 0.565 nan 8.190 nan 0.000 0.493 513 G N -0.624 108.180 108.800 0.007 0.000 2.873 513 G HA2 0.193 4.153 3.960 -0.000 0.000 0.170 513 G HA3 0.193 4.153 3.960 -0.000 0.000 0.170 513 G C 1.058 175.970 174.900 0.020 0.000 1.608 513 G CA 0.884 45.991 45.100 0.011 0.000 1.084 513 G HN 0.460 nan 8.290 nan 0.000 0.563 514 T N -2.237 112.334 114.554 0.027 0.000 3.535 514 T HA 0.079 4.428 4.350 -0.000 0.000 0.223 514 T C 1.331 176.046 174.700 0.025 0.000 0.933 514 T CA 0.283 62.402 62.100 0.032 0.000 1.445 514 T CB -0.365 68.531 68.868 0.046 0.000 1.286 514 T HN 0.184 nan 8.240 nan 0.000 0.436 515 N N 2.326 121.042 118.700 0.027 0.000 2.747 515 N HA 0.173 4.913 4.740 -0.000 0.000 0.252 515 N C 0.953 176.473 175.510 0.018 0.000 1.352 515 N CA 0.789 53.852 53.050 0.022 0.000 0.960 515 N CB -0.540 37.961 38.487 0.023 0.000 1.303 515 N HN 0.921 nan 8.380 nan 0.000 0.518 516 G N 0.213 109.023 108.800 0.016 0.000 2.295 516 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.287 516 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.287 516 G C 0.019 174.927 174.900 0.015 0.000 1.055 516 G CA 0.484 45.592 45.100 0.014 0.000 0.922 516 G HN 0.405 nan 8.290 nan 0.000 0.503 517 S N -1.475 114.235 115.700 0.017 0.000 2.621 517 S HA 0.715 5.185 4.470 -0.000 0.000 0.302 517 S C 1.510 176.120 174.600 0.016 0.000 1.093 517 S CA 0.624 58.835 58.200 0.019 0.000 1.017 517 S CB 1.724 64.939 63.200 0.024 0.000 1.077 517 S HN 0.857 nan 8.310 nan 0.000 0.517 518 S N 1.485 117.196 115.700 0.019 0.000 2.423 518 S HA 0.024 4.494 4.470 -0.000 0.000 0.231 518 S C 0.349 174.952 174.600 0.005 0.000 1.014 518 S CA 0.618 58.829 58.200 0.018 0.000 0.965 518 S CB -0.109 63.108 63.200 0.028 0.000 0.785 518 S HN 0.502 nan 8.310 nan 0.000 0.495 519 V N 3.454 123.371 119.914 0.005 0.000 2.364 519 V HA 0.296 4.416 4.120 -0.000 0.000 0.272 519 V C 0.976 177.057 176.094 -0.022 0.000 1.036 519 V CA -0.250 62.038 62.300 -0.020 0.000 0.880 519 V CB 1.234 33.063 31.823 0.010 0.000 0.991 519 V HN 0.380 nan 8.190 nan 0.000 0.460 520 L N 4.761 125.933 121.223 -0.086 0.000 2.044 520 L HA 0.125 4.464 4.340 -0.000 0.000 0.205 520 L C 0.564 177.491 176.870 0.095 0.000 1.075 520 L CA 1.597 56.422 54.840 -0.024 0.000 0.747 520 L CB -0.127 41.889 42.059 -0.071 0.000 0.903 520 L HN 0.737 nan 8.230 nan 0.000 0.435 521 F N -2.729 117.232 119.950 0.019 0.000 2.654 521 F HA 0.611 5.138 4.527 -0.000 0.000 0.308 521 F C -1.057 174.758 175.800 0.026 0.000 1.108 521 F CA -1.594 56.416 58.000 0.016 0.000 0.957 521 F CB 1.175 40.173 39.000 -0.002 0.000 1.309 521 F HN -0.275 nan 8.300 nan 0.000 0.446 522 N N 1.025 119.897 118.700 0.286 0.000 2.699 522 N HA 0.493 5.233 4.740 -0.000 0.000 0.271 522 N C -1.674 173.964 175.510 0.214 0.000 1.216 522 N CA 0.048 53.223 53.050 0.209 0.000 0.844 522 N CB 1.732 40.295 38.487 0.125 0.000 1.462 522 N HN 1.114 nan 8.380 nan 0.000 0.555 523 T N -0.236 114.453 114.554 0.226 0.000 2.883 523 T HA 0.524 4.874 4.350 -0.000 0.000 0.296 523 T C -0.362 174.465 174.700 0.212 0.000 1.117 523 T CA -0.818 61.401 62.100 0.199 0.000 1.006 523 T CB 0.774 69.730 68.868 0.145 0.000 1.191 523 T HN 0.224 nan 8.240 nan 0.000 0.508 524 F N 1.598 121.597 119.950 0.082 0.000 2.518 524 F HA 0.530 5.056 4.527 -0.000 0.000 0.359 524 F C 0.556 176.404 175.800 0.081 0.000 1.118 524 F CA -0.268 57.781 58.000 0.081 0.000 1.287 524 F CB 0.441 39.461 39.000 0.034 0.000 1.132 524 F HN 0.829 nan 8.300 nan 0.000 0.587 525 A N 4.822 127.233 122.820 -0.682 0.000 2.705 525 A HA 0.617 4.937 4.320 -0.000 0.000 0.294 525 A C 0.624 177.828 177.584 -0.633 0.000 1.039 525 A CA 0.134 51.864 52.037 -0.513 0.000 1.005 525 A CB -0.908 17.965 19.000 -0.212 0.000 1.192 525 A HN 1.969 nan 8.150 nan 0.000 0.513 526 G N -0.235 107.704 108.800 -1.434 0.000 2.593 526 G HA2 0.081 4.041 3.960 -0.000 0.000 0.237 526 G HA3 0.081 4.041 3.960 -0.000 0.000 0.237 526 G C -0.368 174.557 174.900 0.042 0.000 1.312 526 G CA 0.387 45.180 45.100 -0.511 0.000 0.896 526 G HN 2.086 nan 8.290 nan 0.000 0.574 527 Y N -2.674 117.782 120.300 0.260 0.000 2.670 527 Y HA 0.845 5.395 4.550 -0.000 0.000 0.334 527 Y C -0.159 175.859 175.900 0.196 0.000 1.185 527 Y CA -0.219 57.984 58.100 0.173 0.000 1.053 527 Y CB 1.197 39.788 38.460 0.220 0.000 1.298 527 Y HN 1.266 nan 8.280 nan 0.000 0.459 528 T N 0.592 115.217 114.554 0.119 0.000 2.888 528 T HA 0.835 5.184 4.350 -0.000 0.000 0.288 528 T C -1.794 173.073 174.700 0.277 0.000 1.063 528 T CA -0.510 61.705 62.100 0.192 0.000 1.010 528 T CB 1.481 70.424 68.868 0.126 0.000 1.214 528 T HN 0.746 nan 8.240 nan 0.000 0.533 529 V N 1.744 121.752 119.914 0.158 0.000 3.007 529 V HA 0.698 4.818 4.120 -0.000 0.000 0.311 529 V C -0.866 175.201 176.094 -0.045 0.000 1.120 529 V CA -0.946 61.393 62.300 0.065 0.000 0.980 529 V CB 2.241 34.117 31.823 0.087 0.000 1.033 529 V HN 0.840 nan 8.190 nan 0.000 0.429 530 R N 1.514 121.978 120.500 -0.060 0.000 2.518 530 R HA 0.598 4.938 4.340 -0.000 0.000 0.296 530 R C -0.978 175.284 176.300 -0.064 0.000 1.080 530 R CA -0.284 55.747 56.100 -0.114 0.000 0.922 530 R CB 2.101 32.306 30.300 -0.157 0.000 1.184 530 R HN 0.747 nan 8.270 nan 0.000 0.445 531 S N 2.441 118.109 115.700 -0.054 0.000 2.654 531 S HA 0.597 5.067 4.470 -0.000 0.000 0.283 531 S C -0.526 174.056 174.600 -0.030 0.000 1.180 531 S CA -0.731 57.454 58.200 -0.026 0.000 1.021 531 S CB 1.275 64.470 63.200 -0.008 0.000 1.018 531 S HN 0.616 nan 8.310 nan 0.000 0.532 532 K N -0.579 119.811 120.400 -0.017 0.000 2.597 532 K HA 0.503 4.823 4.320 -0.000 0.000 0.282 532 K C -3.645 172.953 176.600 -0.004 0.000 0.975 532 K CA -2.014 54.265 56.287 -0.013 0.000 0.867 532 K CB 0.522 33.011 32.500 -0.017 0.000 1.465 532 K HN 0.183 nan 8.250 nan 0.000 0.417 533 P HA -0.029 nan 4.420 nan 0.000 0.269 533 P C 0.098 177.402 177.300 0.006 0.000 1.217 533 P CA 0.126 63.230 63.100 0.006 0.000 0.783 533 P CB 0.725 32.431 31.700 0.010 0.000 0.898 534 A N 2.455 125.280 122.820 0.008 0.000 1.898 534 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 534 A C 1.390 178.986 177.584 0.020 0.000 1.181 534 A CA 1.911 53.957 52.037 0.015 0.000 0.620 534 A CB -1.056 17.951 19.000 0.012 0.000 0.819 534 A HN 0.643 nan 8.150 nan 0.000 0.442 535 D N -0.365 120.045 120.400 0.016 0.000 2.340 535 D HA 0.403 5.043 4.640 -0.000 0.000 0.217 535 D C 0.709 177.018 176.300 0.016 0.000 1.081 535 D CA 0.501 54.511 54.000 0.017 0.000 0.842 535 D CB -0.472 40.337 40.800 0.015 0.000 0.934 535 D HN 0.373 nan 8.370 nan 0.000 0.511 536 A N 0.284 123.112 122.820 0.014 0.000 2.280 536 A HA 0.292 4.612 4.320 -0.000 0.000 0.268 536 A C 0.425 178.018 177.584 0.015 0.000 1.111 536 A CA -0.378 51.667 52.037 0.013 0.000 0.814 536 A CB 0.377 19.383 19.000 0.011 0.000 1.093 536 A HN -0.017 nan 8.150 nan 0.000 0.498 537 D N -0.342 120.067 120.400 0.015 0.000 2.289 537 D HA 0.272 4.911 4.640 -0.000 0.000 0.266 537 D C -0.114 176.197 176.300 0.018 0.000 1.243 537 D CA 0.177 54.187 54.000 0.017 0.000 1.019 537 D CB 0.001 40.811 40.800 0.017 0.000 1.126 537 D HN 0.567 nan 8.370 nan 0.000 0.541 538 D N -1.406 119.008 120.400 0.022 0.000 2.414 538 D HA 0.489 5.129 4.640 -0.000 0.000 0.251 538 D C 0.788 177.101 176.300 0.021 0.000 1.252 538 D CA 0.209 54.223 54.000 0.023 0.000 0.999 538 D CB 0.289 41.109 40.800 0.033 0.000 1.093 538 D HN 0.515 nan 8.370 nan 0.000 0.515 539 G N -1.762 107.050 108.800 0.019 0.000 2.725 539 G HA2 0.263 4.222 3.960 -0.000 0.000 0.220 539 G HA3 0.263 4.222 3.960 -0.000 0.000 0.220 539 G C 0.262 175.172 174.900 0.017 0.000 1.357 539 G CA -0.458 44.657 45.100 0.024 0.000 0.866 539 G HN 0.834 nan 8.290 nan 0.000 0.548 540 G N -2.612 106.209 108.800 0.034 0.000 3.286 540 G HA2 0.699 4.659 3.960 -0.000 0.000 0.166 540 G HA3 0.699 4.659 3.960 -0.000 0.000 0.166 540 G C 1.390 176.313 174.900 0.038 0.000 1.155 540 G CA 1.289 46.405 45.100 0.028 0.000 0.871 540 G HN 2.113 nan 8.290 nan 0.000 0.637 541 V N -0.121 119.825 119.914 0.053 0.000 2.488 541 V HA 0.008 4.127 4.120 -0.000 0.000 0.246 541 V C 2.415 178.587 176.094 0.130 0.000 1.046 541 V CA 1.768 64.101 62.300 0.055 0.000 1.053 541 V CB -0.405 31.385 31.823 -0.056 0.000 0.679 541 V HN 0.421 nan 8.190 nan 0.000 0.458 542 M N 0.888 120.608 119.600 0.199 0.000 2.159 542 M HA -0.001 4.479 4.480 -0.000 0.000 0.263 542 M C 2.490 178.840 176.300 0.083 0.000 1.063 542 M CA 2.089 57.470 55.300 0.135 0.000 1.110 542 M CB -1.634 31.037 32.600 0.119 0.000 1.374 542 M HN 0.562 nan 8.290 nan 0.000 0.411 543 A N -0.275 122.591 122.820 0.077 0.000 2.139 543 A HA 0.093 4.413 4.320 -0.000 0.000 0.221 543 A C 1.630 179.238 177.584 0.039 0.000 1.159 543 A CA 1.529 53.597 52.037 0.052 0.000 0.662 543 A CB -1.076 17.952 19.000 0.046 0.000 0.796 543 A HN 0.730 nan 8.150 nan 0.000 0.463 544 G N -2.887 105.937 108.800 0.040 0.000 2.204 544 G HA2 -0.112 3.847 3.960 -0.000 0.000 0.244 544 G HA3 -0.112 3.847 3.960 -0.000 0.000 0.244 544 G C 0.413 175.325 174.900 0.019 0.000 1.062 544 G CA 0.347 45.464 45.100 0.028 0.000 0.798 544 G HN 0.991 nan 8.290 nan 0.000 0.496 545 V N -1.713 118.212 119.914 0.017 0.000 3.151 545 V HA 0.638 4.758 4.120 -0.000 0.000 0.235 545 V C 1.471 177.565 176.094 -0.000 0.000 1.501 545 V CA 1.459 63.765 62.300 0.011 0.000 1.211 545 V CB 0.036 31.867 31.823 0.014 0.000 1.049 545 V HN 1.299 nan 8.190 nan 0.000 0.455 546 A N 0.195 123.009 122.820 -0.010 0.000 2.284 546 A HA 0.966 5.286 4.320 -0.000 0.000 0.317 546 A C -0.240 177.309 177.584 -0.058 0.000 1.120 546 A CA 0.183 52.199 52.037 -0.035 0.000 0.900 546 A CB 1.319 20.290 19.000 -0.049 0.000 1.319 546 A HN 0.756 nan 8.150 nan 0.000 0.494 547 A N -0.728 122.041 122.820 -0.085 0.000 2.469 547 A HA 0.698 5.018 4.320 -0.000 0.000 0.299 547 A C -0.812 176.668 177.584 -0.173 0.000 1.098 547 A CA -0.539 51.434 52.037 -0.107 0.000 0.737 547 A CB 0.741 19.709 19.000 -0.054 0.000 1.312 547 A HN 0.794 nan 8.150 nan 0.000 0.414 548 L N 1.029 122.124 121.223 -0.214 0.000 2.418 548 L HA 0.458 4.797 4.340 -0.000 0.000 0.265 548 L C -0.215 176.580 176.870 -0.125 0.000 1.143 548 L CA 0.061 54.747 54.840 -0.257 0.000 0.809 548 L CB 0.900 42.776 42.059 -0.306 0.000 1.124 548 L HN 0.759 nan 8.230 nan 0.000 0.456 549 D N -0.381 119.967 120.400 -0.086 0.000 2.599 549 D HA 0.371 5.011 4.640 -0.000 0.000 0.252 549 D C -1.511 174.826 176.300 0.061 0.000 1.232 549 D CA -0.258 53.763 54.000 0.035 0.000 0.819 549 D CB 2.399 43.226 40.800 0.046 0.000 1.401 549 D HN 0.372 nan 8.370 nan 0.000 0.429 550 S N 0.502 116.292 115.700 0.151 0.000 2.689 550 S HA 0.757 5.227 4.470 -0.000 0.000 0.306 550 S C -0.942 173.742 174.600 0.141 0.000 1.104 550 S CA -0.644 57.672 58.200 0.194 0.000 0.973 550 S CB 0.893 64.176 63.200 0.138 0.000 1.121 550 S HN 0.371 nan 8.310 nan 0.000 0.523 551 L N 1.970 123.256 121.223 0.106 0.000 2.322 551 L HA 0.759 5.098 4.340 -0.000 0.000 0.279 551 L C -0.070 176.710 176.870 -0.150 0.000 1.036 551 L CA -0.796 53.937 54.840 -0.178 0.000 0.807 551 L CB 1.662 43.368 42.059 -0.588 0.000 1.226 551 L HN 0.834 nan 8.230 nan 0.000 0.433 552 A N 3.346 126.057 122.820 -0.181 0.000 2.319 552 A HA 0.619 4.939 4.320 -0.000 0.000 0.310 552 A C -0.820 176.684 177.584 -0.134 0.000 1.152 552 A CA -0.440 51.523 52.037 -0.123 0.000 0.783 552 A CB 1.372 20.312 19.000 -0.099 0.000 1.184 552 A HN 0.382 nan 8.150 nan 0.000 0.474 553 V N 4.093 123.922 119.914 -0.142 0.000 2.348 553 V HA 0.339 4.459 4.120 -0.000 0.000 0.270 553 V C 0.216 176.285 176.094 -0.041 0.000 1.037 553 V CA -0.219 61.991 62.300 -0.149 0.000 0.872 553 V CB 1.205 32.888 31.823 -0.234 0.000 1.002 553 V HN 0.933 nan 8.190 nan 0.000 0.464 554 V N 6.093 126.000 119.914 -0.013 0.000 2.311 554 V HA 0.606 4.726 4.120 -0.000 0.000 0.275 554 V C -1.973 174.136 176.094 0.025 0.000 1.022 554 V CA -2.155 60.158 62.300 0.021 0.000 0.830 554 V CB 0.730 32.575 31.823 0.036 0.000 1.012 554 V HN 0.644 nan 8.190 nan 0.000 0.452 555 P HA 0.000 nan 4.420 nan 0.000 0.216 555 P CA 0.000 63.117 63.100 0.029 0.000 0.800 555 P CB 0.000 31.716 31.700 0.026 0.000 0.726