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 1th2_1_C DATA FIRST_RESID 3 DATA SEQUENCE NRDPASDQMK HWKEQRAAQK PDVLTTGGGN PVGDKLNSLT VGPRGPLLVQ DATA SEQUENCE DVVFTDEMAH FDRERIPERV VHAKGAGAFG YFEVTHDITR YSKAKVFEHI DATA SEQUENCE GKRTPIAVRF STVAGESGSA DTVRDPRGFA VKFYTEDGNW DLVGNNTPIF DATA SEQUENCE FIRDALLFPS FIHSQKRNPQ THLKDPDMVW DFWSLRPESL HQVSFLFSDR DATA SEQUENCE GIPDGHRHMD GYGSHTFKLV NADGEAVYCK FHYKTDQGIK NLSVEDAARL DATA SEQUENCE AHEDPDYGLR DLFNAIATGN YPSWTLYIQV MTFSEAEIFP FNPFDLTKVW DATA SEQUENCE PHGDYPLIPV GKLVLNRNPV NYFAEVEQLA FDPSNMPPGI EPSPDKMLQG DATA SEQUENCE RLFAYPDTHR HRLGPNYLQI PVNCPYRARV ANYQRDGPMC MMDNQGGAPN DATA SEQUENCE YYPNSFSAPE HQPSALEHRT HFSGDVQRFN SANDDNVTQV RTFYLKVLNE DATA SEQUENCE EQRKRLCENI AGHLKDAQLF IQKKAVKNFS DVHPEYGSRI QALLDKYNE 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.528 175.510 0.030 0.000 1.280 3 N CA 0.000 53.064 53.050 0.024 0.000 0.885 3 N CB 0.000 38.507 38.487 0.033 0.000 1.341 4 R N -0.321 120.195 120.500 0.027 0.000 2.948 4 R HA 0.524 4.863 4.340 -0.001 0.000 0.216 4 R C -0.451 175.885 176.300 0.059 0.000 1.557 4 R CA -0.767 55.355 56.100 0.036 0.000 0.970 4 R CB -0.636 29.679 30.300 0.024 0.000 2.255 4 R HN 0.769 nan 8.270 nan 0.000 0.527 5 D N 0.298 120.738 120.400 0.066 0.000 2.363 5 D HA 0.011 4.650 4.640 -0.001 0.000 0.240 5 D C -1.710 174.678 176.300 0.147 0.000 1.236 5 D CA -1.298 52.763 54.000 0.102 0.000 0.927 5 D CB -0.096 40.762 40.800 0.098 0.000 1.150 5 D HN 0.100 nan 8.370 nan 0.000 0.458 6 P HA -0.127 nan 4.420 nan 0.000 0.215 6 P C 1.305 178.819 177.300 0.356 0.000 1.153 6 P CA 2.409 65.721 63.100 0.353 0.000 0.853 6 P CB -0.067 31.852 31.700 0.364 0.000 0.788 7 A N -0.480 122.500 122.820 0.267 0.000 1.877 7 A HA -0.179 4.140 4.320 -0.001 0.000 0.216 7 A C 2.359 179.902 177.584 -0.068 0.000 1.186 7 A CA 2.283 54.280 52.037 -0.067 0.000 0.620 7 A CB -1.578 17.341 19.000 -0.134 0.000 0.822 7 A HN 0.140 nan 8.150 nan 0.000 0.443 8 S N 0.104 115.797 115.700 -0.012 0.000 2.399 8 S HA -0.116 4.353 4.470 -0.001 0.000 0.231 8 S C 1.008 175.577 174.600 -0.052 0.000 1.022 8 S CA 1.259 59.440 58.200 -0.032 0.000 0.983 8 S CB -0.277 62.917 63.200 -0.010 0.000 0.803 8 S HN 0.574 nan 8.310 nan 0.000 0.480 9 D N 0.988 121.352 120.400 -0.061 0.000 2.370 9 D HA 0.049 4.689 4.640 -0.001 0.000 0.230 9 D C 1.682 177.841 176.300 -0.234 0.000 1.143 9 D CA -0.025 53.843 54.000 -0.219 0.000 0.834 9 D CB 0.062 40.626 40.800 -0.394 0.000 0.944 9 D HN 0.261 nan 8.370 nan 0.000 0.504 10 Q N 0.749 120.531 119.800 -0.030 0.000 2.014 10 Q HA -0.184 4.155 4.340 -0.001 0.000 0.207 10 Q C 1.934 178.006 176.000 0.120 0.000 0.993 10 Q CA 1.360 57.216 55.803 0.089 0.000 0.850 10 Q CB -0.090 28.656 28.738 0.012 0.000 0.916 10 Q HN 0.351 nan 8.270 nan 0.000 0.417 11 M N 0.182 119.809 119.600 0.044 0.000 2.086 11 M HA -0.179 4.301 4.480 -0.001 0.000 0.261 11 M C 2.367 178.748 176.300 0.135 0.000 1.067 11 M CA 1.760 57.109 55.300 0.082 0.000 1.116 11 M CB -0.429 32.169 32.600 -0.003 0.000 1.348 11 M HN 0.153 nan 8.290 nan 0.000 0.407 12 K N 0.055 120.462 120.400 0.011 0.000 2.059 12 K HA -0.244 4.075 4.320 -0.001 0.000 0.212 12 K C 1.533 178.173 176.600 0.067 0.000 1.050 12 K CA 2.073 58.349 56.287 -0.019 0.000 0.927 12 K CB -0.219 32.185 32.500 -0.160 0.000 0.714 12 K HN 0.497 nan 8.250 nan 0.000 0.447 13 H N -2.170 116.988 119.070 0.148 0.000 2.363 13 H HA -0.117 4.438 4.556 -0.001 0.000 0.301 13 H C 1.700 177.118 175.328 0.151 0.000 1.074 13 H CA 1.101 57.228 56.048 0.132 0.000 1.354 13 H CB -0.143 29.702 29.762 0.137 0.000 1.397 13 H HN 0.404 nan 8.280 nan 0.000 0.516 14 W N 2.664 124.060 121.300 0.161 0.000 2.321 14 W HA -0.217 4.442 4.660 -0.001 0.000 0.306 14 W C 2.481 179.043 176.519 0.072 0.000 1.217 14 W CA 1.877 59.283 57.345 0.102 0.000 1.257 14 W CB 0.072 29.577 29.460 0.075 0.000 1.145 14 W HN 0.021 nan 8.180 nan 0.000 0.509 15 K N 0.348 120.971 120.400 0.372 0.000 1.984 15 K HA -0.223 4.097 4.320 -0.001 0.000 0.209 15 K C 1.906 178.528 176.600 0.037 0.000 1.046 15 K CA 2.077 58.498 56.287 0.224 0.000 0.934 15 K CB -0.462 32.170 32.500 0.221 0.000 0.717 15 K HN 0.161 nan 8.250 nan 0.000 0.438 16 E N 0.796 121.039 120.200 0.073 0.000 2.035 16 E HA -0.321 4.028 4.350 -0.001 0.000 0.204 16 E C 2.248 178.831 176.600 -0.029 0.000 1.025 16 E CA 2.214 58.638 56.400 0.040 0.000 0.835 16 E CB -0.295 29.463 29.700 0.096 0.000 0.764 16 E HN 0.554 nan 8.360 nan 0.000 0.457 17 Q N 0.572 120.342 119.800 -0.051 0.000 2.096 17 Q HA -0.167 4.172 4.340 -0.001 0.000 0.204 17 Q C 2.144 178.023 176.000 -0.202 0.000 0.982 17 Q CA 1.164 56.898 55.803 -0.114 0.000 0.850 17 Q CB -0.277 28.390 28.738 -0.120 0.000 0.901 17 Q HN 0.009 nan 8.270 nan 0.000 0.422 18 R N 1.124 121.415 120.500 -0.348 0.000 2.339 18 R HA 0.177 4.516 4.340 -0.001 0.000 0.199 18 R C 0.221 176.376 176.300 -0.242 0.000 1.018 18 R CA 0.592 56.420 56.100 -0.455 0.000 1.036 18 R CB -0.339 29.359 30.300 -1.004 0.000 0.899 18 R HN 0.403 nan 8.270 nan 0.000 0.473 19 A N -0.026 122.709 122.820 -0.142 0.000 2.346 19 A HA 0.377 4.696 4.320 -0.001 0.000 0.255 19 A C 0.887 178.434 177.584 -0.062 0.000 1.113 19 A CA 0.511 52.507 52.037 -0.069 0.000 0.798 19 A CB -0.049 18.931 19.000 -0.033 0.000 1.073 19 A HN 0.469 nan 8.150 nan 0.000 0.502 20 A N -0.923 121.876 122.820 -0.035 0.000 2.872 20 A HA -0.134 4.185 4.320 -0.001 0.000 0.273 20 A C 0.128 177.692 177.584 -0.033 0.000 1.442 20 A CA 1.625 53.645 52.037 -0.029 0.000 0.801 20 A CB -2.352 16.629 19.000 -0.031 0.000 1.031 20 A HN 0.975 nan 8.150 nan 0.000 0.582 21 Q N -0.902 118.878 119.800 -0.033 0.000 2.281 21 Q HA 0.321 4.660 4.340 -0.001 0.000 0.263 21 Q C -0.520 175.474 176.000 -0.011 0.000 0.989 21 Q CA -0.946 54.839 55.803 -0.030 0.000 0.852 21 Q CB 1.696 30.401 28.738 -0.055 0.000 1.337 21 Q HN 0.354 nan 8.270 nan 0.000 0.418 22 K N 3.717 124.116 120.400 -0.000 0.000 2.412 22 K HA 0.200 4.519 4.320 -0.001 0.000 0.281 22 K C -2.130 174.486 176.600 0.026 0.000 1.027 22 K CA -0.945 55.350 56.287 0.013 0.000 0.989 22 K CB 0.437 32.944 32.500 0.011 0.000 0.935 22 K HN 0.416 nan 8.250 nan 0.000 0.475 23 P HA 0.034 nan 4.420 nan 0.000 0.269 23 P C -0.379 176.957 177.300 0.060 0.000 1.215 23 P CA -0.070 63.075 63.100 0.075 0.000 0.780 23 P CB 0.554 32.309 31.700 0.091 0.000 0.898 24 D N 0.046 120.491 120.400 0.076 0.000 2.368 24 D HA 0.075 4.714 4.640 -0.001 0.000 0.240 24 D C 0.036 176.360 176.300 0.041 0.000 1.169 24 D CA 0.032 54.064 54.000 0.054 0.000 0.906 24 D CB 0.834 41.672 40.800 0.064 0.000 1.187 24 D HN 0.045 nan 8.370 nan 0.000 0.435 25 V N 2.382 122.313 119.914 0.027 0.000 2.488 25 V HA 0.003 4.122 4.120 -0.001 0.000 0.277 25 V C 0.537 176.640 176.094 0.015 0.000 1.046 25 V CA -0.641 61.671 62.300 0.019 0.000 0.986 25 V CB 1.046 32.877 31.823 0.014 0.000 0.989 25 V HN 0.312 nan 8.190 nan 0.000 0.475 26 L N 6.750 127.980 121.223 0.011 0.000 2.499 26 L HA 0.456 4.796 4.340 -0.001 0.000 0.273 26 L C 0.539 177.408 176.870 -0.000 0.000 1.195 26 L CA 1.144 55.986 54.840 0.003 0.000 0.882 26 L CB 0.702 42.761 42.059 -0.001 0.000 1.133 26 L HN 1.025 nan 8.230 nan 0.000 0.483 27 T N 0.394 114.944 114.554 -0.007 0.000 2.804 27 T HA 0.712 5.062 4.350 -0.001 0.000 0.290 27 T C 0.101 174.791 174.700 -0.016 0.000 1.099 27 T CA -0.163 61.933 62.100 -0.007 0.000 1.011 27 T CB 1.084 69.949 68.868 -0.005 0.000 1.291 27 T HN 0.785 nan 8.240 nan 0.000 0.523 28 T N -2.083 112.463 114.554 -0.013 0.000 2.810 28 T HA 0.533 4.882 4.350 -0.001 0.000 0.277 28 T C 1.819 176.504 174.700 -0.024 0.000 0.973 28 T CA -0.036 62.053 62.100 -0.018 0.000 0.949 28 T CB 0.280 69.144 68.868 -0.007 0.000 1.075 28 T HN 1.009 nan 8.240 nan 0.000 0.537 29 G N -0.305 108.479 108.800 -0.027 0.000 2.450 29 G HA2 0.045 4.005 3.960 -0.001 0.000 0.220 29 G HA3 0.045 4.005 3.960 -0.001 0.000 0.220 29 G C 1.358 176.252 174.900 -0.010 0.000 1.130 29 G CA 0.438 45.522 45.100 -0.026 0.000 0.760 29 G HN 1.065 nan 8.290 nan 0.000 0.557 30 G N -0.561 108.238 108.800 -0.003 0.000 3.124 30 G HA2 0.386 4.345 3.960 -0.001 0.000 0.212 30 G HA3 0.386 4.345 3.960 -0.001 0.000 0.212 30 G C 1.234 176.134 174.900 0.000 0.000 1.181 30 G CA 0.419 45.520 45.100 0.002 0.000 0.803 30 G HN 1.363 nan 8.290 nan 0.000 0.529 31 G N -0.296 108.501 108.800 -0.004 0.000 2.162 31 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.260 31 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.260 31 G C 0.147 175.047 174.900 0.000 0.000 0.976 31 G CA 0.071 45.170 45.100 -0.002 0.000 0.655 31 G HN 0.618 nan 8.290 nan 0.000 0.533 32 N N 2.494 121.194 118.700 0.001 0.000 2.458 32 N HA 0.466 5.205 4.740 -0.001 0.000 0.270 32 N C -2.315 173.196 175.510 0.003 0.000 1.102 32 N CA -1.216 51.836 53.050 0.003 0.000 0.967 32 N CB 1.354 39.844 38.487 0.005 0.000 1.078 32 N HN 0.135 nan 8.380 nan 0.000 0.471 33 P HA -0.040 nan 4.420 nan 0.000 0.267 33 P C -0.461 176.842 177.300 0.005 0.000 1.205 33 P CA -0.190 62.912 63.100 0.004 0.000 0.765 33 P CB 0.810 32.514 31.700 0.005 0.000 0.828 34 V N 1.809 121.725 119.914 0.005 0.000 2.439 34 V HA 0.564 4.683 4.120 -0.001 0.000 0.282 34 V C 1.386 177.485 176.094 0.008 0.000 1.039 34 V CA 0.411 62.716 62.300 0.008 0.000 0.913 34 V CB 0.790 32.618 31.823 0.008 0.000 0.983 34 V HN 0.659 nan 8.190 nan 0.000 0.460 35 G N 3.746 112.551 108.800 0.009 0.000 2.404 35 G HA2 -0.063 3.896 3.960 -0.001 0.000 0.215 35 G HA3 -0.063 3.896 3.960 -0.001 0.000 0.215 35 G C 0.406 175.310 174.900 0.007 0.000 1.174 35 G CA 1.066 46.170 45.100 0.007 0.000 0.780 35 G HN 0.884 nan 8.290 nan 0.000 0.537 36 D N -1.289 119.116 120.400 0.008 0.000 2.855 36 D HA 0.242 4.881 4.640 -0.001 0.000 0.241 36 D C -0.366 175.941 176.300 0.012 0.000 1.277 36 D CA -0.547 53.457 54.000 0.007 0.000 0.918 36 D CB 1.589 42.391 40.800 0.004 0.000 1.462 36 D HN 0.003 nan 8.370 nan 0.000 0.559 37 K N 3.664 124.069 120.400 0.009 0.000 2.455 37 K HA 0.259 4.578 4.320 -0.001 0.000 0.206 37 K C 0.786 177.394 176.600 0.012 0.000 1.027 37 K CA -0.113 56.182 56.287 0.014 0.000 1.113 37 K CB 0.509 33.012 32.500 0.004 0.000 0.850 37 K HN 0.452 nan 8.250 nan 0.000 0.503 38 L N -0.331 120.896 121.223 0.006 0.000 2.609 38 L HA 0.196 4.536 4.340 -0.001 0.000 0.230 38 L C 0.068 176.936 176.870 -0.003 0.000 1.064 38 L CA 0.040 54.880 54.840 -0.000 0.000 0.873 38 L CB 0.369 42.425 42.059 -0.006 0.000 1.139 38 L HN 0.021 nan 8.230 nan 0.000 0.490 39 N N 0.200 118.898 118.700 -0.003 0.000 2.372 39 N HA 0.287 5.026 4.740 -0.001 0.000 0.285 39 N C -0.663 174.837 175.510 -0.017 0.000 1.008 39 N CA -0.146 52.895 53.050 -0.015 0.000 0.880 39 N CB 2.026 40.504 38.487 -0.016 0.000 1.239 39 N HN -0.098 nan 8.380 nan 0.000 0.484 40 S N 1.085 116.759 115.700 -0.044 0.000 2.596 40 S HA 0.169 4.638 4.470 -0.001 0.000 0.260 40 S C 0.262 174.826 174.600 -0.061 0.000 1.336 40 S CA -0.425 57.732 58.200 -0.072 0.000 0.993 40 S CB 0.588 63.680 63.200 -0.181 0.000 0.923 40 S HN 0.388 nan 8.310 nan 0.000 0.567 41 L N 2.745 123.931 121.223 -0.062 0.000 2.255 41 L HA 0.451 4.790 4.340 -0.001 0.000 0.289 41 L C 0.193 177.027 176.870 -0.059 0.000 1.046 41 L CA 0.320 55.135 54.840 -0.042 0.000 0.816 41 L CB 0.129 42.178 42.059 -0.016 0.000 1.197 41 L HN 0.870 nan 8.230 nan 0.000 0.427 42 T N 1.097 115.621 114.554 -0.051 0.000 2.906 42 T HA 0.475 4.824 4.350 -0.001 0.000 0.295 42 T C -0.538 174.142 174.700 -0.034 0.000 1.075 42 T CA -0.796 61.273 62.100 -0.051 0.000 1.005 42 T CB 1.598 70.430 68.868 -0.059 0.000 1.136 42 T HN 0.316 nan 8.240 nan 0.000 0.498 43 V N 2.238 122.134 119.914 -0.031 0.000 2.356 43 V HA 0.614 4.733 4.120 -0.001 0.000 0.258 43 V C 0.637 176.718 176.094 -0.022 0.000 1.065 43 V CA 1.305 63.591 62.300 -0.022 0.000 0.935 43 V CB -0.770 31.042 31.823 -0.019 0.000 1.061 43 V HN 1.824 nan 8.190 nan 0.000 0.484 44 G N 6.901 115.689 108.800 -0.020 0.000 2.705 44 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.686 44 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.686 44 G C -1.818 173.068 174.900 -0.023 0.000 1.285 44 G CA -0.323 44.766 45.100 -0.019 0.000 0.800 44 G HN 0.580 nan 8.290 nan 0.000 0.611 45 P HA -0.081 nan 4.420 nan 0.000 0.216 45 P C 1.538 178.823 177.300 -0.026 0.000 1.153 45 P CA 1.333 64.420 63.100 -0.022 0.000 0.858 45 P CB 0.091 31.780 31.700 -0.018 0.000 0.789 46 R N -0.883 119.603 120.500 -0.024 0.000 2.552 46 R HA 0.371 4.710 4.340 -0.001 0.000 0.314 46 R C 0.786 177.069 176.300 -0.028 0.000 1.041 46 R CA -0.212 55.873 56.100 -0.026 0.000 1.076 46 R CB -0.301 29.987 30.300 -0.021 0.000 1.290 46 R HN 0.103 nan 8.270 nan 0.000 0.563 47 G N 0.447 109.228 108.800 -0.031 0.000 2.522 47 G HA2 0.468 4.428 3.960 -0.001 0.000 0.304 47 G HA3 0.468 4.428 3.960 -0.001 0.000 0.304 47 G C -2.368 172.507 174.900 -0.042 0.000 1.210 47 G CA -1.265 43.816 45.100 -0.032 0.000 0.960 47 G HN -0.024 nan 8.290 nan 0.000 0.497 48 P HA 0.256 nan 4.420 nan 0.000 0.273 48 P C -0.407 176.854 177.300 -0.066 0.000 1.250 48 P CA -0.675 62.394 63.100 -0.051 0.000 0.793 48 P CB 0.622 32.298 31.700 -0.039 0.000 1.011 49 L N 0.887 122.057 121.223 -0.089 0.000 2.350 49 L HA 0.319 4.658 4.340 -0.001 0.000 0.275 49 L C -0.858 175.965 176.870 -0.078 0.000 1.099 49 L CA -0.066 54.702 54.840 -0.119 0.000 0.808 49 L CB -0.019 41.917 42.059 -0.205 0.000 1.149 49 L HN 0.157 nan 8.230 nan 0.000 0.442 50 L N 5.213 126.398 121.223 -0.063 0.000 2.309 50 L HA 0.318 4.658 4.340 -0.001 0.000 0.282 50 L C 1.109 177.979 176.870 -0.001 0.000 1.036 50 L CA -0.815 54.010 54.840 -0.026 0.000 0.806 50 L CB 1.641 43.690 42.059 -0.016 0.000 1.220 50 L HN 0.492 nan 8.230 nan 0.000 0.429 51 V N 1.790 121.714 119.914 0.017 0.000 2.568 51 V HA -0.271 3.848 4.120 -0.001 0.000 0.253 51 V C 2.269 178.393 176.094 0.050 0.000 1.072 51 V CA 1.644 63.971 62.300 0.045 0.000 1.084 51 V CB -0.560 31.285 31.823 0.037 0.000 0.676 51 V HN 0.876 nan 8.190 nan 0.000 0.469 52 Q N -0.335 119.483 119.800 0.031 0.000 2.197 52 Q HA -0.248 4.091 4.340 -0.001 0.000 0.211 52 Q C 1.236 177.263 176.000 0.045 0.000 0.993 52 Q CA 1.519 57.340 55.803 0.030 0.000 0.883 52 Q CB -0.202 28.545 28.738 0.016 0.000 0.916 52 Q HN 0.566 nan 8.270 nan 0.000 0.418 53 D N 0.273 120.706 120.400 0.055 0.000 2.429 53 D HA -0.034 4.605 4.640 -0.001 0.000 0.253 53 D C 0.943 177.326 176.300 0.138 0.000 1.294 53 D CA -0.027 54.026 54.000 0.087 0.000 1.063 53 D CB 0.758 41.608 40.800 0.083 0.000 1.096 53 D HN 0.112 nan 8.370 nan 0.000 0.516 54 V N 1.669 121.638 119.914 0.091 0.000 2.951 54 V HA -0.092 4.027 4.120 -0.001 0.000 0.255 54 V C 2.166 178.297 176.094 0.062 0.000 1.088 54 V CA 0.292 62.636 62.300 0.074 0.000 1.109 54 V CB -0.292 31.557 31.823 0.044 0.000 0.724 54 V HN 0.274 nan 8.190 nan 0.000 0.471 55 V N 0.528 120.486 119.914 0.073 0.000 2.255 55 V HA -0.242 3.877 4.120 -0.001 0.000 0.247 55 V C 2.318 178.448 176.094 0.061 0.000 1.051 55 V CA 2.851 65.184 62.300 0.055 0.000 1.018 55 V CB -0.917 30.942 31.823 0.062 0.000 0.641 55 V HN 0.627 nan 8.190 nan 0.000 0.445 56 F N 1.542 121.487 119.950 -0.008 0.000 2.026 56 F HA -0.263 4.263 4.527 -0.001 0.000 0.296 56 F C 2.527 178.328 175.800 0.002 0.000 1.133 56 F CA 2.603 60.596 58.000 -0.011 0.000 1.188 56 F CB -1.008 37.984 39.000 -0.014 0.000 0.968 56 F HN 0.135 nan 8.300 nan 0.000 0.476 57 T N -0.075 114.385 114.554 -0.156 0.000 2.699 57 T HA -0.275 4.074 4.350 -0.001 0.000 0.268 57 T C 1.428 176.006 174.700 -0.204 0.000 1.036 57 T CA 1.783 63.740 62.100 -0.239 0.000 1.147 57 T CB -0.683 68.195 68.868 0.017 0.000 0.862 57 T HN 0.471 nan 8.240 nan 0.000 0.446 58 D N 0.820 121.159 120.400 -0.101 0.000 2.120 58 D HA -0.168 4.471 4.640 -0.001 0.000 0.191 58 D C 2.174 178.434 176.300 -0.067 0.000 0.994 58 D CA 1.805 55.772 54.000 -0.054 0.000 0.838 58 D CB -0.252 40.533 40.800 -0.025 0.000 0.976 58 D HN 0.524 nan 8.370 nan 0.000 0.447 59 E N -1.181 118.958 120.200 -0.101 0.000 2.070 59 E HA -0.285 4.064 4.350 -0.001 0.000 0.197 59 E C 2.029 178.574 176.600 -0.092 0.000 1.004 59 E CA 1.357 57.705 56.400 -0.087 0.000 0.805 59 E CB -0.223 29.413 29.700 -0.106 0.000 0.744 59 E HN 0.286 nan 8.360 nan 0.000 0.451 60 M N 0.591 120.015 119.600 -0.293 0.000 2.132 60 M HA -0.026 4.453 4.480 -0.001 0.000 0.263 60 M C 2.016 178.278 176.300 -0.064 0.000 1.065 60 M CA 1.927 57.056 55.300 -0.284 0.000 1.122 60 M CB -0.420 31.721 32.600 -0.764 0.000 1.365 60 M HN 0.179 nan 8.290 nan 0.000 0.411 61 A N -1.137 121.626 122.820 -0.095 0.000 1.933 61 A HA -0.236 4.083 4.320 -0.001 0.000 0.218 61 A C 2.328 179.912 177.584 -0.000 0.000 1.175 61 A CA 1.983 53.999 52.037 -0.034 0.000 0.628 61 A CB -1.299 17.680 19.000 -0.034 0.000 0.814 61 A HN 0.750 nan 8.150 nan 0.000 0.444 62 H N -1.756 117.300 119.070 -0.023 0.000 2.428 62 H HA -0.082 4.473 4.556 -0.001 0.000 0.296 62 H C 1.837 177.169 175.328 0.006 0.000 1.062 62 H CA 1.660 57.699 56.048 -0.014 0.000 1.350 62 H CB -0.279 29.474 29.762 -0.015 0.000 1.403 62 H HN 0.539 nan 8.280 nan 0.000 0.533 63 F N 1.969 121.932 119.950 0.022 0.000 2.146 63 F HA -0.138 4.388 4.527 -0.001 0.000 0.298 63 F C 1.780 177.532 175.800 -0.080 0.000 1.096 63 F CA 1.386 59.374 58.000 -0.019 0.000 1.275 63 F CB -0.154 38.822 39.000 -0.040 0.000 1.008 63 F HN 0.011 nan 8.300 nan 0.000 0.480 64 D N 0.545 120.929 120.400 -0.027 0.000 2.384 64 D HA -0.105 4.534 4.640 -0.001 0.000 0.222 64 D C 1.230 177.395 176.300 -0.225 0.000 0.976 64 D CA 0.873 54.788 54.000 -0.143 0.000 0.915 64 D CB -0.224 40.570 40.800 -0.011 0.000 0.896 64 D HN 0.492 nan 8.370 nan 0.000 0.523 65 R N -0.098 120.240 120.500 -0.270 0.000 2.600 65 R HA 0.183 4.523 4.340 -0.001 0.000 0.392 65 R C 1.151 177.259 176.300 -0.320 0.000 1.032 65 R CA -0.151 55.785 56.100 -0.274 0.000 1.139 65 R CB 0.572 30.714 30.300 -0.264 0.000 1.400 65 R HN 0.087 nan 8.270 nan 0.000 0.566 66 E N 1.079 121.066 120.200 -0.356 0.000 2.110 66 E HA -0.078 4.272 4.350 -0.001 0.000 0.193 66 E C 0.271 176.678 176.600 -0.320 0.000 0.988 66 E CA 0.923 57.112 56.400 -0.351 0.000 0.804 66 E CB 0.234 29.722 29.700 -0.353 0.000 0.745 66 E HN 0.094 nan 8.360 nan 0.000 0.458 67 R N 1.297 121.656 120.500 -0.235 0.000 2.357 67 R HA 0.344 4.683 4.340 -0.001 0.000 0.296 67 R C 0.463 176.740 176.300 -0.038 0.000 1.052 67 R CA -0.185 55.843 56.100 -0.120 0.000 0.988 67 R CB 0.529 30.761 30.300 -0.112 0.000 1.025 67 R HN 0.184 nan 8.270 nan 0.000 0.469 68 I N -0.938 119.667 120.570 0.058 0.000 2.957 68 I HA 0.612 4.781 4.170 -0.001 0.000 0.310 68 I C -2.266 173.867 176.117 0.027 0.000 1.063 68 I CA -2.995 58.334 61.300 0.048 0.000 1.033 68 I CB 1.926 39.995 38.000 0.115 0.000 1.230 68 I HN 0.241 nan 8.210 nan 0.000 0.447 69 P HA 0.131 nan 4.420 nan 0.000 0.268 69 P C -1.155 176.158 177.300 0.021 0.000 1.205 69 P CA -0.066 63.028 63.100 -0.010 0.000 0.771 69 P CB 0.400 32.071 31.700 -0.047 0.000 0.858 70 E N 2.413 122.640 120.200 0.044 0.000 2.343 70 E HA 0.227 4.576 4.350 -0.001 0.000 0.269 70 E C -0.412 176.219 176.600 0.052 0.000 1.047 70 E CA -0.933 55.505 56.400 0.062 0.000 0.874 70 E CB 0.640 30.382 29.700 0.070 0.000 1.033 70 E HN 0.246 nan 8.360 nan 0.000 0.409 71 R N 1.283 121.818 120.500 0.058 0.000 2.587 71 R HA -0.099 4.240 4.340 -0.001 0.000 0.268 71 R C 0.981 177.309 176.300 0.046 0.000 0.978 71 R CA 0.097 56.224 56.100 0.045 0.000 1.097 71 R CB 0.289 30.635 30.300 0.076 0.000 0.917 71 R HN 0.568 nan 8.270 nan 0.000 0.414 72 V N 3.431 123.357 119.914 0.022 0.000 2.626 72 V HA -0.103 4.016 4.120 -0.001 0.000 0.252 72 V C 0.427 176.548 176.094 0.044 0.000 1.067 72 V CA 1.457 63.772 62.300 0.024 0.000 1.081 72 V CB 0.327 32.152 31.823 0.002 0.000 0.686 72 V HN 0.514 nan 8.190 nan 0.000 0.468 73 V N -2.721 117.250 119.914 0.094 0.000 2.925 73 V HA 0.565 4.684 4.120 -0.001 0.000 0.311 73 V C 0.043 176.326 176.094 0.315 0.000 1.104 73 V CA -0.955 61.460 62.300 0.192 0.000 0.954 73 V CB 1.463 33.491 31.823 0.342 0.000 1.022 73 V HN 0.453 nan 8.190 nan 0.000 0.427 74 H N 0.635 119.751 119.070 0.076 0.000 2.826 74 H HA -0.224 4.331 4.556 -0.001 0.000 0.306 74 H C 1.458 176.836 175.328 0.084 0.000 1.235 74 H CA 0.584 56.687 56.048 0.091 0.000 1.150 74 H CB -0.933 28.890 29.762 0.102 0.000 1.409 74 H HN 1.081 nan 8.280 nan 0.000 0.420 75 A N 0.595 123.503 122.820 0.147 0.000 1.898 75 A HA -0.090 4.229 4.320 -0.001 0.000 0.216 75 A C 1.604 179.274 177.584 0.145 0.000 1.181 75 A CA 0.922 53.036 52.037 0.129 0.000 0.620 75 A CB 0.137 19.191 19.000 0.089 0.000 0.819 75 A HN 0.106 nan 8.150 nan 0.000 0.442 76 K N 1.386 121.862 120.400 0.127 0.000 2.315 76 K HA 0.436 4.755 4.320 -0.001 0.000 0.291 76 K C -0.162 176.546 176.600 0.179 0.000 1.074 76 K CA 0.567 56.938 56.287 0.142 0.000 0.936 76 K CB -0.224 32.341 32.500 0.107 0.000 1.049 76 K HN 0.425 nan 8.250 nan 0.000 0.471 77 G N 0.971 109.905 108.800 0.223 0.000 2.687 77 G HA2 0.742 4.701 3.960 -0.001 0.000 0.291 77 G HA3 0.742 4.701 3.960 -0.001 0.000 0.291 77 G C -1.751 173.327 174.900 0.297 0.000 1.420 77 G CA -0.470 44.763 45.100 0.222 0.000 0.796 77 G HN 0.572 nan 8.290 nan 0.000 0.485 78 A N -1.404 121.558 122.820 0.237 0.000 2.423 78 A HA 1.014 5.333 4.320 -0.001 0.000 0.304 78 A C 0.047 177.724 177.584 0.156 0.000 1.104 78 A CA -0.050 52.175 52.037 0.313 0.000 0.757 78 A CB 1.914 21.145 19.000 0.386 0.000 1.313 78 A HN 2.033 nan 8.150 nan 0.000 0.423 79 G N -1.249 107.628 108.800 0.128 0.000 2.694 79 G HA2 0.931 4.890 3.960 -0.001 0.000 0.290 79 G HA3 0.931 4.890 3.960 -0.001 0.000 0.290 79 G C -0.762 174.122 174.900 -0.027 0.000 1.386 79 G CA -0.014 45.048 45.100 -0.064 0.000 0.872 79 G HN 2.111 nan 8.290 nan 0.000 0.475 80 A N -0.851 121.818 122.820 -0.253 0.000 2.544 80 A HA 0.789 5.108 4.320 -0.001 0.000 0.291 80 A C -2.030 175.269 177.584 -0.474 0.000 1.055 80 A CA -0.736 51.211 52.037 -0.151 0.000 0.651 80 A CB 0.738 19.793 19.000 0.091 0.000 1.296 80 A HN 0.876 nan 8.150 nan 0.000 0.431 81 F N -0.362 119.600 119.950 0.019 0.000 2.579 81 F HA 0.889 5.416 4.527 -0.001 0.000 0.324 81 F C 0.976 176.757 175.800 -0.031 0.000 1.058 81 F CA 0.293 58.295 58.000 0.003 0.000 0.944 81 F CB 2.418 41.420 39.000 0.004 0.000 1.245 81 F HN 1.146 nan 8.300 nan 0.000 0.477 82 G N -0.036 108.851 108.800 0.145 0.000 2.635 82 G HA2 0.513 4.472 3.960 -0.001 0.000 0.194 82 G HA3 0.513 4.472 3.960 -0.001 0.000 0.194 82 G C -2.135 172.819 174.900 0.090 0.000 1.198 82 G CA -0.409 44.695 45.100 0.006 0.000 0.972 82 G HN 0.725 nan 8.290 nan 0.000 0.520 83 Y N -1.540 118.801 120.300 0.069 0.000 2.655 83 Y HA 0.849 5.398 4.550 -0.001 0.000 0.336 83 Y C -1.718 174.279 175.900 0.161 0.000 1.154 83 Y CA -2.616 55.544 58.100 0.100 0.000 1.055 83 Y CB 1.579 40.081 38.460 0.069 0.000 1.295 83 Y HN 0.757 nan 8.280 nan 0.000 0.465 84 F N 1.437 121.613 119.950 0.376 0.000 2.520 84 F HA 0.674 5.201 4.527 -0.001 0.000 0.322 84 F C -1.042 175.001 175.800 0.406 0.000 1.103 84 F CA -0.927 57.263 58.000 0.317 0.000 0.926 84 F CB 2.055 41.233 39.000 0.297 0.000 1.154 84 F HN 0.768 nan 8.300 nan 0.000 0.453 85 E N 4.853 124.696 120.200 -0.594 0.000 2.218 85 E HA 0.506 4.855 4.350 -0.001 0.000 0.263 85 E C -1.724 174.412 176.600 -0.773 0.000 0.879 85 E CA -0.860 55.257 56.400 -0.472 0.000 0.762 85 E CB 1.919 31.586 29.700 -0.055 0.000 1.166 85 E HN 0.574 nan 8.360 nan 0.000 0.415 86 V N 4.242 123.872 119.914 -0.473 0.000 2.488 86 V HA 0.088 4.207 4.120 -0.001 0.000 0.277 86 V C 1.186 177.293 176.094 0.021 0.000 1.046 86 V CA 0.672 62.898 62.300 -0.124 0.000 0.986 86 V CB 1.131 33.051 31.823 0.162 0.000 0.989 86 V HN 0.969 nan 8.190 nan 0.000 0.475 87 T N 0.582 115.225 114.554 0.148 0.000 2.971 87 T HA 0.258 4.607 4.350 -0.001 0.000 0.252 87 T C 0.368 175.247 174.700 0.298 0.000 1.022 87 T CA 0.146 62.392 62.100 0.243 0.000 0.980 87 T CB 0.104 69.176 68.868 0.341 0.000 1.044 87 T HN 0.637 nan 8.240 nan 0.000 0.501 88 H N 0.441 119.567 119.070 0.094 0.000 2.928 88 H HA 0.631 5.186 4.556 -0.001 0.000 0.371 88 H C -1.525 173.874 175.328 0.118 0.000 1.186 88 H CA -1.320 54.792 56.048 0.105 0.000 1.134 88 H CB 1.431 31.261 29.762 0.113 0.000 1.824 88 H HN 0.032 nan 8.280 nan 0.000 0.554 89 D N 2.302 122.827 120.400 0.208 0.000 2.396 89 D HA 0.121 4.760 4.640 -0.001 0.000 0.225 89 D C 0.365 176.758 176.300 0.156 0.000 1.121 89 D CA -0.333 53.762 54.000 0.157 0.000 0.853 89 D CB 0.460 41.324 40.800 0.107 0.000 1.043 89 D HN 0.653 nan 8.370 nan 0.000 0.500 90 I N 0.901 121.553 120.570 0.136 0.000 3.816 90 I HA 0.155 4.324 4.170 -0.001 0.000 0.334 90 I C 1.167 177.353 176.117 0.115 0.000 1.551 90 I CA -0.576 60.836 61.300 0.187 0.000 1.153 90 I CB 0.343 38.395 38.000 0.087 0.000 1.197 90 I HN 0.014 nan 8.210 nan 0.000 0.439 91 T N 2.370 116.967 114.554 0.072 0.000 2.737 91 T HA -0.171 4.179 4.350 -0.001 0.000 0.269 91 T C 2.030 176.723 174.700 -0.011 0.000 1.040 91 T CA 2.035 64.161 62.100 0.043 0.000 1.142 91 T CB -0.275 68.607 68.868 0.023 0.000 0.861 91 T HN 0.572 nan 8.240 nan 0.000 0.456 92 R N 0.132 120.571 120.500 -0.102 0.000 2.316 92 R HA -0.020 4.319 4.340 -0.001 0.000 0.202 92 R C 0.996 177.105 176.300 -0.318 0.000 1.029 92 R CA 1.093 57.056 56.100 -0.230 0.000 1.018 92 R CB -0.698 29.396 30.300 -0.342 0.000 0.888 92 R HN 0.437 nan 8.270 nan 0.000 0.471 93 Y N 0.182 120.471 120.300 -0.017 0.000 2.472 93 Y HA 0.281 4.830 4.550 -0.001 0.000 0.288 93 Y C 1.151 177.035 175.900 -0.027 0.000 1.154 93 Y CA 0.440 58.522 58.100 -0.031 0.000 1.238 93 Y CB 0.196 38.617 38.460 -0.066 0.000 1.287 93 Y HN 0.012 nan 8.280 nan 0.000 0.524 94 S N 0.324 116.111 115.700 0.145 0.000 2.503 94 S HA 0.338 4.807 4.470 -0.001 0.000 0.301 94 S C 0.159 174.831 174.600 0.122 0.000 1.087 94 S CA -0.807 57.467 58.200 0.123 0.000 1.042 94 S CB 0.967 64.270 63.200 0.172 0.000 1.043 94 S HN 0.381 nan 8.310 nan 0.000 0.489 95 K N 2.317 122.766 120.400 0.082 0.000 2.397 95 K HA 0.469 4.788 4.320 -0.001 0.000 0.202 95 K C 0.362 176.982 176.600 0.033 0.000 1.022 95 K CA -0.257 56.059 56.287 0.049 0.000 1.141 95 K CB 0.220 32.734 32.500 0.025 0.000 0.857 95 K HN 0.447 nan 8.250 nan 0.000 0.514 96 A N 2.322 125.180 122.820 0.062 0.000 2.476 96 A HA 0.034 4.354 4.320 -0.001 0.000 0.275 96 A C 1.030 178.536 177.584 -0.131 0.000 1.133 96 A CA -0.189 51.801 52.037 -0.078 0.000 0.797 96 A CB 0.206 19.085 19.000 -0.202 0.000 1.081 96 A HN 0.455 nan 8.150 nan 0.000 0.510 97 K N 2.267 122.590 120.400 -0.128 0.000 2.189 97 K HA -0.191 4.128 4.320 -0.001 0.000 0.207 97 K C 1.631 178.155 176.600 -0.126 0.000 1.046 97 K CA 1.854 58.082 56.287 -0.098 0.000 0.928 97 K CB -0.159 32.298 32.500 -0.072 0.000 0.720 97 K HN 0.607 nan 8.250 nan 0.000 0.458 98 V N 0.421 120.149 119.914 -0.309 0.000 2.469 98 V HA -0.210 3.909 4.120 -0.001 0.000 0.251 98 V C 1.100 177.082 176.094 -0.187 0.000 1.064 98 V CA 1.727 63.823 62.300 -0.341 0.000 1.066 98 V CB -0.316 31.079 31.823 -0.713 0.000 0.667 98 V HN 0.266 nan 8.190 nan 0.000 0.461 99 F N -0.076 119.926 119.950 0.086 0.000 2.693 99 F HA 0.301 4.827 4.527 -0.001 0.000 0.303 99 F C 1.777 177.603 175.800 0.043 0.000 1.097 99 F CA -0.067 58.011 58.000 0.130 0.000 1.330 99 F CB -0.695 38.358 39.000 0.088 0.000 1.067 99 F HN 0.198 nan 8.300 nan 0.000 0.565 100 E N 0.037 120.289 120.200 0.087 0.000 2.072 100 E HA -0.221 4.129 4.350 -0.001 0.000 0.218 100 E C 0.497 176.918 176.600 -0.299 0.000 1.051 100 E CA 1.756 58.075 56.400 -0.134 0.000 0.880 100 E CB 0.069 29.682 29.700 -0.144 0.000 0.783 100 E HN 0.313 nan 8.360 nan 0.000 0.473 101 H N -1.833 117.310 119.070 0.120 0.000 2.869 101 H HA 0.294 4.849 4.556 -0.001 0.000 0.342 101 H C -0.267 175.118 175.328 0.095 0.000 1.250 101 H CA -0.848 55.256 56.048 0.093 0.000 1.217 101 H CB 0.798 30.594 29.762 0.058 0.000 1.917 101 H HN 0.052 nan 8.280 nan 0.000 0.586 102 I N 1.242 121.947 120.570 0.226 0.000 2.352 102 I HA 0.137 4.306 4.170 -0.001 0.000 0.290 102 I C 1.323 177.486 176.117 0.077 0.000 1.036 102 I CA 0.703 62.077 61.300 0.124 0.000 1.336 102 I CB 0.160 38.206 38.000 0.077 0.000 1.407 102 I HN 1.016 nan 8.210 nan 0.000 0.497 103 G N 5.467 114.294 108.800 0.044 0.000 2.179 103 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.220 103 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.220 103 G C 0.507 175.405 174.900 -0.003 0.000 0.990 103 G CA -0.511 44.590 45.100 0.002 0.000 0.646 103 G HN 0.504 nan 8.290 nan 0.000 0.517 104 K N 1.435 121.862 120.400 0.046 0.000 2.382 104 K HA 0.223 4.542 4.320 -0.001 0.000 0.286 104 K C 0.654 177.281 176.600 0.044 0.000 1.062 104 K CA -0.127 56.203 56.287 0.072 0.000 1.000 104 K CB 0.136 32.723 32.500 0.145 0.000 0.954 104 K HN 0.348 nan 8.250 nan 0.000 0.470 105 R N 2.011 122.523 120.500 0.020 0.000 2.404 105 R HA 0.282 4.621 4.340 -0.001 0.000 0.291 105 R C -0.353 176.034 176.300 0.146 0.000 1.025 105 R CA -0.186 55.932 56.100 0.030 0.000 0.991 105 R CB 1.324 31.552 30.300 -0.119 0.000 1.053 105 R HN 0.457 nan 8.270 nan 0.000 0.479 106 T N 4.479 119.195 114.554 0.270 0.000 2.971 106 T HA 0.306 4.655 4.350 -0.001 0.000 0.304 106 T C -2.642 172.238 174.700 0.299 0.000 1.038 106 T CA -1.471 60.801 62.100 0.287 0.000 1.007 106 T CB 2.250 71.351 68.868 0.389 0.000 1.055 106 T HN 0.308 nan 8.240 nan 0.000 0.451 107 P HA 0.387 nan 4.420 nan 0.000 0.268 107 P C -0.610 176.883 177.300 0.321 0.000 1.205 107 P CA -0.333 62.912 63.100 0.241 0.000 0.771 107 P CB 0.300 32.071 31.700 0.118 0.000 0.858 108 I N -1.324 119.389 120.570 0.239 0.000 3.074 108 I HA 0.935 5.105 4.170 -0.001 0.000 0.310 108 I C -1.413 174.807 176.117 0.173 0.000 1.153 108 I CA -1.572 59.765 61.300 0.061 0.000 0.993 108 I CB 2.489 40.305 38.000 -0.306 0.000 1.237 108 I HN 0.297 nan 8.210 nan 0.000 0.443 109 A N 2.754 125.565 122.820 -0.015 0.000 2.498 109 A HA 0.915 5.234 4.320 -0.001 0.000 0.298 109 A C -1.282 176.141 177.584 -0.268 0.000 1.075 109 A CA -0.644 51.293 52.037 -0.166 0.000 0.714 109 A CB 2.008 21.001 19.000 -0.012 0.000 1.299 109 A HN 0.730 nan 8.150 nan 0.000 0.407 110 V N 0.632 120.303 119.914 -0.405 0.000 2.851 110 V HA 0.677 4.796 4.120 -0.001 0.000 0.307 110 V C -0.413 175.356 176.094 -0.542 0.000 1.129 110 V CA -0.640 61.365 62.300 -0.491 0.000 0.932 110 V CB 2.031 33.493 31.823 -0.601 0.000 1.024 110 V HN 0.960 nan 8.190 nan 0.000 0.426 111 R N 2.351 122.477 120.500 -0.622 0.000 2.514 111 R HA 0.675 5.015 4.340 -0.001 0.000 0.296 111 R C -1.880 174.032 176.300 -0.646 0.000 1.012 111 R CA -0.436 55.388 56.100 -0.461 0.000 0.897 111 R CB 1.480 31.739 30.300 -0.068 0.000 1.184 111 R HN 0.605 nan 8.270 nan 0.000 0.440 112 F N 1.563 121.280 119.950 -0.388 0.000 2.397 112 F HA 0.562 5.088 4.527 -0.001 0.000 0.331 112 F C 0.635 176.262 175.800 -0.289 0.000 1.090 112 F CA -0.195 57.490 58.000 -0.525 0.000 1.065 112 F CB 2.054 40.370 39.000 -1.140 0.000 1.184 112 F HN 0.528 nan 8.300 nan 0.000 0.499 113 S N -1.028 114.734 115.700 0.103 0.000 2.611 113 S HA 0.667 5.136 4.470 -0.001 0.000 0.268 113 S C -0.637 174.073 174.600 0.183 0.000 1.156 113 S CA -0.831 57.479 58.200 0.183 0.000 0.817 113 S CB 1.235 64.580 63.200 0.242 0.000 1.122 113 S HN 0.704 nan 8.310 nan 0.000 0.466 114 T N -1.183 113.433 114.554 0.103 0.000 2.891 114 T HA 0.703 5.052 4.350 -0.001 0.000 0.294 114 T C 0.907 175.448 174.700 -0.265 0.000 1.065 114 T CA -0.114 61.991 62.100 0.009 0.000 0.936 114 T CB 0.293 69.185 68.868 0.040 0.000 1.415 114 T HN 0.638 nan 8.240 nan 0.000 0.572 115 V N -0.232 119.522 119.914 -0.268 0.000 2.870 115 V HA 0.329 4.448 4.120 -0.001 0.000 0.232 115 V C 2.765 178.732 176.094 -0.211 0.000 1.161 115 V CA 0.811 62.838 62.300 -0.456 0.000 1.204 115 V CB -0.945 30.738 31.823 -0.234 0.000 1.003 115 V HN 1.006 nan 8.190 nan 0.000 0.499 116 A N 0.504 123.233 122.820 -0.153 0.000 1.935 116 A HA 0.321 4.640 4.320 -0.001 0.000 0.214 116 A C 1.627 179.152 177.584 -0.097 0.000 1.178 116 A CA 0.960 52.906 52.037 -0.151 0.000 0.640 116 A CB -0.944 17.933 19.000 -0.205 0.000 0.825 116 A HN 0.570 nan 8.150 nan 0.000 0.447 117 G N 0.708 109.469 108.800 -0.065 0.000 2.353 117 G HA2 0.380 4.339 3.960 -0.001 0.000 0.239 117 G HA3 0.380 4.339 3.960 -0.001 0.000 0.239 117 G C -0.148 174.749 174.900 -0.006 0.000 1.295 117 G CA -0.187 44.893 45.100 -0.033 0.000 0.884 117 G HN 0.492 nan 8.290 nan 0.000 0.537 118 E N 1.039 121.238 120.200 -0.003 0.000 2.816 118 E HA 0.181 4.530 4.350 -0.001 0.000 0.260 118 E C 1.888 178.513 176.600 0.042 0.000 1.414 118 E CA 0.086 56.498 56.400 0.021 0.000 1.074 118 E CB 0.188 29.899 29.700 0.018 0.000 1.123 118 E HN 0.314 nan 8.360 nan 0.000 0.664 119 S N -0.383 115.349 115.700 0.053 0.000 2.383 119 S HA -0.130 4.340 4.470 -0.001 0.000 0.229 119 S C 1.772 176.400 174.600 0.047 0.000 1.030 119 S CA 1.232 59.471 58.200 0.065 0.000 1.002 119 S CB -0.424 62.818 63.200 0.070 0.000 0.829 119 S HN 0.674 nan 8.310 nan 0.000 0.467 120 G N 1.524 110.344 108.800 0.033 0.000 2.880 120 G HA2 0.115 4.075 3.960 -0.001 0.000 0.209 120 G HA3 0.115 4.075 3.960 -0.001 0.000 0.209 120 G C 0.646 175.562 174.900 0.028 0.000 1.157 120 G CA 0.316 45.430 45.100 0.025 0.000 0.779 120 G HN 0.592 nan 8.290 nan 0.000 0.539 121 S N 0.088 115.806 115.700 0.030 0.000 2.592 121 S HA 0.545 5.014 4.470 -0.001 0.000 0.256 121 S C 0.423 175.050 174.600 0.044 0.000 1.369 121 S CA 0.022 58.240 58.200 0.030 0.000 0.984 121 S CB 1.146 64.359 63.200 0.022 0.000 0.919 121 S HN 0.688 nan 8.310 nan 0.000 0.576 122 A N 0.144 122.992 122.820 0.047 0.000 2.303 122 A HA 0.458 4.777 4.320 -0.001 0.000 0.317 122 A C 0.780 178.410 177.584 0.077 0.000 1.149 122 A CA -0.713 51.360 52.037 0.060 0.000 0.822 122 A CB 0.225 19.259 19.000 0.056 0.000 1.131 122 A HN 0.866 nan 8.150 nan 0.000 0.493 123 D N 0.690 121.150 120.400 0.099 0.000 2.117 123 D HA -0.077 4.562 4.640 -0.001 0.000 0.198 123 D C 1.058 177.428 176.300 0.117 0.000 0.982 123 D CA 2.199 56.273 54.000 0.124 0.000 0.828 123 D CB -0.206 40.676 40.800 0.137 0.000 0.967 123 D HN 0.684 nan 8.370 nan 0.000 0.464 124 T N 0.145 114.761 114.554 0.104 0.000 3.414 124 T HA 0.429 4.778 4.350 -0.001 0.000 0.304 124 T C 0.134 174.868 174.700 0.057 0.000 1.241 124 T CA -0.636 61.513 62.100 0.082 0.000 1.076 124 T CB -0.143 68.750 68.868 0.041 0.000 1.134 124 T HN -0.036 nan 8.240 nan 0.000 0.759 125 V N 0.073 120.026 119.914 0.065 0.000 3.147 125 V HA 0.767 4.886 4.120 -0.001 0.000 0.306 125 V C -0.344 175.780 176.094 0.050 0.000 1.209 125 V CA -1.828 60.503 62.300 0.051 0.000 1.023 125 V CB 1.912 33.762 31.823 0.046 0.000 1.059 125 V HN 0.628 nan 8.190 nan 0.000 0.435 126 R N 2.032 122.548 120.500 0.027 0.000 2.446 126 R HA 0.552 4.891 4.340 -0.001 0.000 0.325 126 R C -0.829 175.486 176.300 0.025 0.000 0.997 126 R CA 1.162 57.257 56.100 -0.009 0.000 1.010 126 R CB -1.060 29.168 30.300 -0.120 0.000 0.946 126 R HN 1.076 nan 8.270 nan 0.000 0.422 127 D N 3.752 124.197 120.400 0.074 0.000 2.785 127 D HA 0.242 4.881 4.640 -0.001 0.000 0.239 127 D C -2.832 173.564 176.300 0.160 0.000 1.142 127 D CA -1.012 53.054 54.000 0.109 0.000 0.734 127 D CB 1.488 42.324 40.800 0.060 0.000 1.820 127 D HN 0.243 nan 8.370 nan 0.000 0.461 128 P HA 0.457 nan 4.420 nan 0.000 0.280 128 P C -0.905 176.518 177.300 0.206 0.000 1.278 128 P CA -0.396 62.844 63.100 0.233 0.000 0.787 128 P CB 0.510 32.391 31.700 0.301 0.000 1.163 129 R N -0.952 119.696 120.500 0.246 0.000 2.621 129 R HA 0.655 4.994 4.340 -0.001 0.000 0.292 129 R C -0.193 176.294 176.300 0.311 0.000 0.969 129 R CA -0.440 55.814 56.100 0.257 0.000 0.887 129 R CB 1.319 31.776 30.300 0.261 0.000 1.180 129 R HN 0.604 nan 8.270 nan 0.000 0.450 130 G N 1.643 110.648 108.800 0.343 0.000 2.372 130 G HA2 0.431 4.390 3.960 -0.001 0.000 0.283 130 G HA3 0.431 4.390 3.960 -0.001 0.000 0.283 130 G C -1.291 173.683 174.900 0.124 0.000 1.177 130 G CA 0.015 45.290 45.100 0.292 0.000 0.842 130 G HN 0.398 nan 8.290 nan 0.000 0.503 131 F N 2.793 122.662 119.950 -0.134 0.000 2.809 131 F HA 0.602 5.128 4.527 -0.001 0.000 0.369 131 F C 0.184 175.697 175.800 -0.478 0.000 1.225 131 F CA -1.829 55.992 58.000 -0.298 0.000 1.201 131 F CB 0.936 39.841 39.000 -0.159 0.000 1.527 131 F HN 0.620 nan 8.300 nan 0.000 0.565 132 A N 3.971 126.513 122.820 -0.463 0.000 2.274 132 A HA 0.730 5.049 4.320 -0.001 0.000 0.309 132 A C -1.134 175.852 177.584 -0.996 0.000 1.226 132 A CA -0.466 50.995 52.037 -0.961 0.000 0.853 132 A CB 0.651 18.567 19.000 -1.806 0.000 1.146 132 A HN 0.307 nan 8.150 nan 0.000 0.518 133 V N 3.356 122.776 119.914 -0.824 0.000 2.357 133 V HA 0.350 4.469 4.120 -0.001 0.000 0.284 133 V C 0.169 175.880 176.094 -0.640 0.000 1.018 133 V CA -0.654 61.184 62.300 -0.770 0.000 0.841 133 V CB 1.272 32.483 31.823 -1.020 0.000 0.991 133 V HN 0.899 nan 8.190 nan 0.000 0.437 134 K N 4.673 124.849 120.400 -0.372 0.000 2.253 134 K HA 0.519 4.839 4.320 -0.001 0.000 0.277 134 K C -1.414 174.851 176.600 -0.558 0.000 1.053 134 K CA -0.427 55.671 56.287 -0.316 0.000 0.892 134 K CB 0.528 32.886 32.500 -0.236 0.000 1.102 134 K HN 0.469 nan 8.250 nan 0.000 0.469 135 F N 4.459 124.106 119.950 -0.505 0.000 2.385 135 F HA 0.243 4.770 4.527 -0.001 0.000 0.360 135 F C -0.485 175.147 175.800 -0.280 0.000 1.122 135 F CA -0.582 57.225 58.000 -0.322 0.000 1.090 135 F CB 0.708 39.525 39.000 -0.305 0.000 1.150 135 F HN 0.432 nan 8.300 nan 0.000 0.472 136 Y N 1.875 122.175 120.300 -0.000 0.000 2.691 136 Y HA 0.250 4.799 4.550 -0.001 0.000 0.338 136 Y C 0.983 176.819 175.900 -0.106 0.000 1.148 136 Y CA -0.741 57.277 58.100 -0.136 0.000 1.430 136 Y CB 0.087 38.317 38.460 -0.384 0.000 1.303 136 Y HN 0.569 nan 8.280 nan 0.000 0.499 137 T N -1.851 112.734 114.554 0.053 0.000 2.897 137 T HA 0.209 4.559 4.350 -0.001 0.000 0.278 137 T C 1.013 175.702 174.700 -0.019 0.000 0.981 137 T CA -0.597 61.518 62.100 0.024 0.000 0.973 137 T CB 1.151 70.018 68.868 -0.002 0.000 1.092 137 T HN 0.558 nan 8.240 nan 0.000 0.543 138 E N -0.117 120.070 120.200 -0.022 0.000 2.347 138 E HA 0.030 4.379 4.350 -0.001 0.000 0.196 138 E C 0.559 177.141 176.600 -0.030 0.000 1.008 138 E CA 0.632 57.017 56.400 -0.025 0.000 0.852 138 E CB 0.110 29.802 29.700 -0.014 0.000 0.783 138 E HN 0.528 nan 8.360 nan 0.000 0.505 139 D N 0.331 120.707 120.400 -0.040 0.000 2.587 139 D HA 0.228 4.867 4.640 -0.001 0.000 0.233 139 D C 0.358 176.635 176.300 -0.038 0.000 1.213 139 D CA 0.455 54.430 54.000 -0.043 0.000 0.827 139 D CB 0.249 41.012 40.800 -0.062 0.000 1.006 139 D HN 0.169 nan 8.370 nan 0.000 0.490 140 G N 0.985 109.765 108.800 -0.033 0.000 2.710 140 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.668 140 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.668 140 G C -0.376 174.508 174.900 -0.025 0.000 1.320 140 G CA -1.018 44.064 45.100 -0.031 0.000 0.860 140 G HN 0.172 nan 8.290 nan 0.000 0.538 141 N N -0.538 118.137 118.700 -0.041 0.000 2.529 141 N HA 0.516 5.255 4.740 -0.001 0.000 0.278 141 N C -0.551 174.983 175.510 0.041 0.000 1.146 141 N CA -0.050 52.962 53.050 -0.063 0.000 0.980 141 N CB 1.136 39.509 38.487 -0.191 0.000 1.124 141 N HN 0.727 nan 8.380 nan 0.000 0.458 142 W N 2.560 123.769 121.300 -0.152 0.000 2.471 142 W HA 0.375 5.034 4.660 -0.001 0.000 0.318 142 W C -1.399 175.062 176.519 -0.098 0.000 1.034 142 W CA -0.913 56.328 57.345 -0.174 0.000 1.224 142 W CB 0.659 29.920 29.460 -0.332 0.000 1.335 142 W HN 0.322 nan 8.180 nan 0.000 0.452 143 D N 6.335 126.674 120.400 -0.101 0.000 2.392 143 D HA 0.128 4.767 4.640 -0.001 0.000 0.228 143 D C -0.767 175.271 176.300 -0.436 0.000 1.074 143 D CA -0.435 53.422 54.000 -0.240 0.000 0.838 143 D CB 1.920 42.711 40.800 -0.014 0.000 1.067 143 D HN 0.335 nan 8.370 nan 0.000 0.511 144 L N 4.750 125.524 121.223 -0.748 0.000 2.352 144 L HA 0.151 4.490 4.340 -0.001 0.000 0.272 144 L C -0.373 176.185 176.870 -0.520 0.000 1.109 144 L CA -0.543 53.858 54.840 -0.732 0.000 0.952 144 L CB 0.551 41.941 42.059 -1.114 0.000 1.314 144 L HN 0.072 nan 8.230 nan 0.000 0.427 145 V N 5.541 125.239 119.914 -0.361 0.000 2.054 145 V HA 0.267 4.386 4.120 -0.001 0.000 0.243 145 V C 1.465 177.418 176.094 -0.233 0.000 1.480 145 V CA 0.180 62.264 62.300 -0.360 0.000 1.440 145 V CB -1.120 30.479 31.823 -0.373 0.000 1.489 145 V HN 0.780 nan 8.190 nan 0.000 0.502 146 G N 2.200 110.883 108.800 -0.195 0.000 2.553 146 G HA2 0.385 4.344 3.960 -0.001 0.000 0.278 146 G HA3 0.385 4.344 3.960 -0.001 0.000 0.278 146 G C -0.355 174.544 174.900 -0.003 0.000 1.349 146 G CA -0.349 44.724 45.100 -0.046 0.000 1.037 146 G HN 0.548 nan 8.290 nan 0.000 0.508 147 N N -1.808 116.919 118.700 0.044 0.000 2.774 147 N HA 0.200 4.939 4.740 -0.001 0.000 0.264 147 N C 0.413 176.026 175.510 0.171 0.000 1.415 147 N CA -0.719 52.415 53.050 0.140 0.000 0.815 147 N CB 1.289 39.864 38.487 0.146 0.000 1.514 147 N HN 0.441 nan 8.380 nan 0.000 0.523 148 N N -0.831 118.016 118.700 0.246 0.000 2.362 148 N HA 0.015 4.754 4.740 -0.001 0.000 0.204 148 N C -0.583 175.174 175.510 0.413 0.000 1.166 148 N CA 0.172 53.409 53.050 0.313 0.000 0.831 148 N CB 0.079 38.756 38.487 0.316 0.000 1.008 148 N HN 0.438 nan 8.380 nan 0.000 0.472 149 T N -0.580 114.115 114.554 0.235 0.000 2.894 149 T HA 0.435 4.785 4.350 -0.001 0.000 0.309 149 T C -2.694 171.722 174.700 -0.473 0.000 1.208 149 T CA -1.472 60.427 62.100 -0.336 0.000 1.016 149 T CB 2.277 70.565 68.868 -0.967 0.000 1.192 149 T HN -0.207 nan 8.240 nan 0.000 0.491 150 P HA 0.294 nan 4.420 nan 0.000 0.257 150 P C 0.268 177.307 177.300 -0.435 0.000 1.241 150 P CA 0.080 62.789 63.100 -0.651 0.000 0.816 150 P CB -0.266 30.962 31.700 -0.786 0.000 1.150 151 I N -5.796 114.468 120.570 -0.510 0.000 3.206 151 I HA 0.715 4.884 4.170 -0.001 0.000 0.313 151 I C -1.008 174.937 176.117 -0.286 0.000 1.103 151 I CA -1.599 59.471 61.300 -0.384 0.000 0.985 151 I CB 1.869 39.566 38.000 -0.506 0.000 1.240 151 I HN -0.332 nan 8.210 nan 0.000 0.464 152 F N 0.326 120.074 119.950 -0.337 0.000 2.613 152 F HA 0.506 5.033 4.527 -0.001 0.000 0.310 152 F C 0.119 175.785 175.800 -0.224 0.000 1.085 152 F CA -0.882 56.958 58.000 -0.266 0.000 0.945 152 F CB 1.837 40.801 39.000 -0.061 0.000 1.298 152 F HN 0.470 nan 8.300 nan 0.000 0.455 153 F N 3.107 122.580 119.950 -0.794 0.000 2.225 153 F HA -0.134 4.392 4.527 -0.001 0.000 0.302 153 F C 0.930 176.663 175.800 -0.112 0.000 1.068 153 F CA 1.633 59.335 58.000 -0.497 0.000 1.327 153 F CB -0.571 37.893 39.000 -0.894 0.000 1.043 153 F HN 0.229 nan 8.300 nan 0.000 0.506 154 I N -2.735 118.026 120.570 0.317 0.000 3.095 154 I HA 0.448 4.617 4.170 -0.001 0.000 0.310 154 I C 0.241 176.529 176.117 0.286 0.000 1.196 154 I CA -1.172 60.308 61.300 0.300 0.000 0.985 154 I CB 2.402 40.620 38.000 0.364 0.000 1.250 154 I HN -0.095 nan 8.210 nan 0.000 0.446 155 R N 0.803 121.425 120.500 0.204 0.000 2.629 155 R HA 0.441 4.780 4.340 -0.001 0.000 0.386 155 R C -0.943 175.444 176.300 0.144 0.000 1.071 155 R CA -0.342 55.857 56.100 0.166 0.000 1.104 155 R CB 0.315 30.693 30.300 0.130 0.000 1.370 155 R HN 0.745 nan 8.270 nan 0.000 0.574 156 D N -0.167 120.333 120.400 0.167 0.000 2.934 156 D HA 0.298 4.937 4.640 -0.001 0.000 0.230 156 D C 0.251 176.646 176.300 0.159 0.000 1.204 156 D CA -0.278 53.803 54.000 0.134 0.000 0.873 156 D CB 2.446 43.322 40.800 0.127 0.000 1.645 156 D HN 0.011 nan 8.370 nan 0.000 0.502 157 A N 3.695 126.580 122.820 0.108 0.000 1.865 157 A HA -0.136 4.183 4.320 -0.001 0.000 0.217 157 A C 2.269 179.953 177.584 0.166 0.000 1.191 157 A CA 1.181 53.288 52.037 0.116 0.000 0.623 157 A CB -0.726 18.304 19.000 0.050 0.000 0.826 157 A HN 0.710 nan 8.150 nan 0.000 0.444 158 L N -0.453 120.842 121.223 0.120 0.000 2.270 158 L HA -0.218 4.122 4.340 -0.001 0.000 0.217 158 L C 2.114 179.076 176.870 0.153 0.000 1.107 158 L CA 0.580 55.488 54.840 0.112 0.000 0.772 158 L CB -0.507 41.599 42.059 0.078 0.000 0.902 158 L HN 0.333 nan 8.230 nan 0.000 0.439 159 L N -1.937 119.419 121.223 0.221 0.000 2.270 159 L HA -0.111 4.229 4.340 -0.001 0.000 0.210 159 L C 2.310 179.352 176.870 0.287 0.000 1.104 159 L CA 1.309 56.329 54.840 0.300 0.000 0.804 159 L CB -1.052 41.237 42.059 0.384 0.000 0.937 159 L HN 0.207 nan 8.230 nan 0.000 0.450 160 F N 3.022 123.070 119.950 0.163 0.000 2.046 160 F HA -0.147 4.379 4.527 -0.001 0.000 0.297 160 F C -0.262 175.529 175.800 -0.015 0.000 1.123 160 F CA 2.001 60.098 58.000 0.162 0.000 1.199 160 F CB -1.521 37.549 39.000 0.116 0.000 0.972 160 F HN 0.082 nan 8.300 nan 0.000 0.474 161 P HA -0.159 nan 4.420 nan 0.000 0.217 161 P C 1.544 178.423 177.300 -0.701 0.000 1.148 161 P CA 2.186 65.073 63.100 -0.356 0.000 0.828 161 P CB -0.201 31.397 31.700 -0.171 0.000 0.783 162 S N -0.712 114.731 115.700 -0.430 0.000 2.395 162 S HA -0.078 4.391 4.470 -0.001 0.000 0.225 162 S C 1.641 175.808 174.600 -0.721 0.000 1.027 162 S CA 0.575 58.521 58.200 -0.425 0.000 0.965 162 S CB -1.117 62.029 63.200 -0.089 0.000 0.812 162 S HN 0.114 nan 8.310 nan 0.000 0.482 163 F N 3.435 122.791 119.950 -0.990 0.000 2.075 163 F HA -0.054 4.472 4.527 -0.001 0.000 0.297 163 F C 1.794 177.001 175.800 -0.987 0.000 1.113 163 F CA 0.949 58.096 58.000 -1.423 0.000 1.218 163 F CB -0.620 37.920 39.000 -0.767 0.000 0.984 163 F HN 0.029 nan 8.300 nan 0.000 0.472 164 I N 0.705 120.497 120.570 -1.298 0.000 2.315 164 I HA -0.328 3.841 4.170 -0.001 0.000 0.251 164 I C 2.513 178.204 176.117 -0.710 0.000 1.125 164 I CA 1.703 62.304 61.300 -1.164 0.000 1.392 164 I CB -1.803 35.645 38.000 -0.921 0.000 1.065 164 I HN 0.381 nan 8.210 nan 0.000 0.424 165 H N 0.555 119.246 119.070 -0.632 0.000 2.321 165 H HA -0.131 4.424 4.556 -0.001 0.000 0.300 165 H C 2.493 177.540 175.328 -0.467 0.000 1.087 165 H CA 1.545 57.328 56.048 -0.442 0.000 1.319 165 H CB 0.145 29.718 29.762 -0.314 0.000 1.379 165 H HN 0.385 nan 8.280 nan 0.000 0.501 166 S N 0.717 116.149 115.700 -0.447 0.000 2.419 166 S HA -0.189 4.280 4.470 -0.001 0.000 0.235 166 S C 1.825 176.106 174.600 -0.532 0.000 1.019 166 S CA 1.061 58.987 58.200 -0.457 0.000 0.982 166 S CB -0.078 62.804 63.200 -0.530 0.000 0.789 166 S HN 0.403 nan 8.310 nan 0.000 0.490 167 Q N 0.802 120.192 119.800 -0.684 0.000 2.389 167 Q HA 0.245 4.584 4.340 -0.001 0.000 0.204 167 Q C 0.677 176.441 176.000 -0.393 0.000 0.944 167 Q CA 0.643 56.080 55.803 -0.611 0.000 0.908 167 Q CB 0.079 28.334 28.738 -0.805 0.000 1.002 167 Q HN 0.629 nan 8.270 nan 0.000 0.493 168 K N 0.798 120.990 120.400 -0.347 0.000 2.526 168 K HA 0.365 4.685 4.320 -0.001 0.000 0.256 168 K C 0.246 176.706 176.600 -0.232 0.000 1.035 168 K CA -0.802 55.332 56.287 -0.256 0.000 1.011 168 K CB 0.588 32.957 32.500 -0.218 0.000 1.343 168 K HN -0.110 nan 8.250 nan 0.000 0.510 169 R N 1.480 121.838 120.500 -0.237 0.000 2.827 169 R HA -0.006 4.333 4.340 -0.001 0.000 0.269 169 R C 0.673 176.867 176.300 -0.176 0.000 1.048 169 R CA -0.053 55.893 56.100 -0.257 0.000 1.173 169 R CB 0.091 30.108 30.300 -0.471 0.000 1.070 169 R HN 0.524 nan 8.270 nan 0.000 0.498 170 N N 1.705 120.327 118.700 -0.129 0.000 2.530 170 N HA 0.016 4.755 4.740 -0.001 0.000 0.273 170 N C -1.821 173.664 175.510 -0.042 0.000 1.173 170 N CA -1.401 51.601 53.050 -0.080 0.000 0.967 170 N CB 1.128 39.586 38.487 -0.049 0.000 1.109 170 N HN 0.200 nan 8.380 nan 0.000 0.453 171 P HA -0.177 nan 4.420 nan 0.000 0.217 171 P C 0.836 178.124 177.300 -0.019 0.000 1.151 171 P CA 1.562 64.628 63.100 -0.057 0.000 0.849 171 P CB 0.307 31.964 31.700 -0.072 0.000 0.787 172 Q N -1.480 118.316 119.800 -0.007 0.000 2.581 172 Q HA -0.020 4.319 4.340 -0.001 0.000 0.222 172 Q C 1.820 177.834 176.000 0.023 0.000 0.904 172 Q CA 1.199 57.002 55.803 0.000 0.000 0.923 172 Q CB -0.252 28.483 28.738 -0.006 0.000 1.117 172 Q HN 0.184 nan 8.270 nan 0.000 0.618 173 T N -2.574 111.996 114.554 0.027 0.000 3.085 173 T HA -0.079 4.270 4.350 -0.001 0.000 0.263 173 T C 0.467 175.226 174.700 0.098 0.000 1.127 173 T CA 1.063 63.187 62.100 0.039 0.000 1.103 173 T CB -0.281 68.596 68.868 0.015 0.000 0.921 173 T HN 0.636 nan 8.240 nan 0.000 0.510 174 H N -0.110 118.931 119.070 -0.049 0.000 2.958 174 H HA -0.120 4.435 4.556 -0.001 0.000 0.274 174 H C -0.612 174.686 175.328 -0.051 0.000 1.184 174 H CA 0.560 56.575 56.048 -0.055 0.000 1.143 174 H CB -2.331 27.404 29.762 -0.046 0.000 1.297 174 H HN 0.574 nan 8.280 nan 0.000 0.356 175 L N -0.257 120.898 121.223 -0.113 0.000 2.304 175 L HA 0.438 4.778 4.340 -0.001 0.000 0.268 175 L C 0.717 177.498 176.870 -0.148 0.000 1.010 175 L CA -1.304 53.453 54.840 -0.137 0.000 0.813 175 L CB 0.813 42.834 42.059 -0.064 0.000 1.315 175 L HN -0.110 nan 8.230 nan 0.000 0.445 176 K N 1.523 121.843 120.400 -0.133 0.000 2.401 176 K HA 0.093 4.412 4.320 -0.001 0.000 0.278 176 K C -0.911 175.638 176.600 -0.085 0.000 1.018 176 K CA 0.115 56.330 56.287 -0.120 0.000 0.981 176 K CB 0.510 32.952 32.500 -0.096 0.000 0.933 176 K HN 0.481 nan 8.250 nan 0.000 0.477 177 D N 4.422 124.771 120.400 -0.084 0.000 2.505 177 D HA 0.174 4.814 4.640 -0.001 0.000 0.250 177 D C -1.812 174.481 176.300 -0.010 0.000 1.164 177 D CA -2.031 51.942 54.000 -0.045 0.000 0.870 177 D CB 1.635 42.404 40.800 -0.053 0.000 1.160 177 D HN 0.097 nan 8.370 nan 0.000 0.549 178 P HA -0.044 nan 4.420 nan 0.000 0.226 178 P C 0.788 178.224 177.300 0.227 0.000 1.153 178 P CA 0.402 63.639 63.100 0.228 0.000 0.777 178 P CB 0.780 32.646 31.700 0.278 0.000 0.794 179 D N -0.510 119.958 120.400 0.113 0.000 2.178 179 D HA -0.049 4.590 4.640 -0.001 0.000 0.202 179 D C 2.023 178.367 176.300 0.073 0.000 0.974 179 D CA 1.138 55.190 54.000 0.086 0.000 0.841 179 D CB -0.217 40.614 40.800 0.053 0.000 0.953 179 D HN 0.221 nan 8.370 nan 0.000 0.478 180 M N -0.765 118.844 119.600 0.015 0.000 2.299 180 M HA -0.033 4.447 4.480 -0.001 0.000 0.264 180 M C 2.339 178.565 176.300 -0.123 0.000 1.095 180 M CA 0.476 55.756 55.300 -0.033 0.000 1.165 180 M CB -0.388 32.158 32.600 -0.089 0.000 1.349 180 M HN -0.209 nan 8.290 nan 0.000 0.446 181 V N 0.624 120.393 119.914 -0.242 0.000 2.222 181 V HA -0.289 3.830 4.120 -0.001 0.000 0.252 181 V C 2.013 177.745 176.094 -0.604 0.000 1.060 181 V CA 2.508 64.440 62.300 -0.613 0.000 1.027 181 V CB -0.820 30.628 31.823 -0.625 0.000 0.644 181 V HN 0.570 nan 8.190 nan 0.000 0.448 182 W N -0.431 120.896 121.300 0.046 0.000 2.436 182 W HA -0.084 4.576 4.660 -0.001 0.000 0.284 182 W C 2.448 179.041 176.519 0.123 0.000 1.225 182 W CA 0.929 58.382 57.345 0.179 0.000 1.271 182 W CB -0.387 29.162 29.460 0.149 0.000 1.114 182 W HN 0.290 nan 8.180 nan 0.000 0.559 183 D N 0.324 120.867 120.400 0.238 0.000 2.092 183 D HA -0.261 4.378 4.640 -0.001 0.000 0.193 183 D C 1.912 178.320 176.300 0.179 0.000 0.994 183 D CA 1.487 55.598 54.000 0.185 0.000 0.828 183 D CB -0.507 40.388 40.800 0.157 0.000 0.963 183 D HN 0.111 nan 8.370 nan 0.000 0.450 184 F N 0.447 120.405 119.950 0.014 0.000 2.069 184 F HA -0.199 4.327 4.527 -0.001 0.000 0.298 184 F C 2.138 178.016 175.800 0.130 0.000 1.113 184 F CA 1.604 59.608 58.000 0.007 0.000 1.214 184 F CB -0.558 38.363 39.000 -0.132 0.000 0.978 184 F HN 0.055 nan 8.300 nan 0.000 0.474 185 W N 0.897 122.226 121.300 0.049 0.000 2.374 185 W HA -0.136 4.523 4.660 -0.001 0.000 0.288 185 W C 2.742 179.219 176.519 -0.069 0.000 1.218 185 W CA 1.446 58.772 57.345 -0.032 0.000 1.245 185 W CB -1.529 27.949 29.460 0.030 0.000 1.126 185 W HN 0.062 nan 8.180 nan 0.000 0.545 186 S N 0.651 116.489 115.700 0.231 0.000 2.338 186 S HA -0.136 4.333 4.470 -0.001 0.000 0.218 186 S C 1.929 176.529 174.600 0.000 0.000 1.032 186 S CA 1.336 59.593 58.200 0.094 0.000 0.999 186 S CB -0.872 62.401 63.200 0.121 0.000 0.905 186 S HN 0.161 nan 8.310 nan 0.000 0.439 187 L N 0.379 121.594 121.223 -0.014 0.000 2.362 187 L HA 0.034 4.373 4.340 -0.001 0.000 0.219 187 L C 0.938 177.728 176.870 -0.133 0.000 1.134 187 L CA 0.702 55.508 54.840 -0.055 0.000 0.807 187 L CB -0.340 41.695 42.059 -0.040 0.000 0.927 187 L HN 0.011 nan 8.230 nan 0.000 0.447 188 R N 0.740 121.115 120.500 -0.208 0.000 2.402 188 R HA 0.226 4.566 4.340 -0.001 0.000 0.290 188 R C -1.831 174.396 176.300 -0.121 0.000 1.321 188 R CA -1.680 54.279 56.100 -0.233 0.000 1.283 188 R CB 0.802 30.773 30.300 -0.548 0.000 1.111 188 R HN -0.056 nan 8.270 nan 0.000 0.578 189 P HA -0.103 nan 4.420 nan 0.000 0.237 189 P C 0.828 178.078 177.300 -0.082 0.000 1.178 189 P CA 0.702 63.736 63.100 -0.110 0.000 0.766 189 P CB 0.410 32.049 31.700 -0.102 0.000 0.876 190 E N 1.090 121.264 120.200 -0.044 0.000 2.347 190 E HA -0.098 4.251 4.350 -0.001 0.000 0.196 190 E C 1.503 178.094 176.600 -0.015 0.000 1.008 190 E CA 1.264 57.656 56.400 -0.014 0.000 0.852 190 E CB -0.863 28.850 29.700 0.021 0.000 0.783 190 E HN 0.303 nan 8.360 nan 0.000 0.505 191 S N 1.074 116.761 115.700 -0.021 0.000 2.481 191 S HA -0.033 4.436 4.470 -0.001 0.000 0.231 191 S C 2.169 176.692 174.600 -0.128 0.000 0.996 191 S CA 0.324 58.503 58.200 -0.036 0.000 0.942 191 S CB -0.710 62.544 63.200 0.090 0.000 0.768 191 S HN 0.225 nan 8.310 nan 0.000 0.520 192 L N 0.928 122.081 121.223 -0.116 0.000 2.085 192 L HA -0.306 4.034 4.340 -0.001 0.000 0.218 192 L C 2.822 179.721 176.870 0.048 0.000 1.080 192 L CA 2.348 57.141 54.840 -0.078 0.000 0.776 192 L CB -0.797 41.205 42.059 -0.095 0.000 0.891 192 L HN 0.566 nan 8.230 nan 0.000 0.437 193 H N -1.202 117.807 119.070 -0.102 0.000 2.270 193 H HA -0.196 4.359 4.556 -0.001 0.000 0.299 193 H C 2.385 177.602 175.328 -0.186 0.000 1.077 193 H CA 1.252 57.232 56.048 -0.114 0.000 1.294 193 H CB 0.297 29.965 29.762 -0.155 0.000 1.371 193 H HN 0.251 nan 8.280 nan 0.000 0.491 194 Q N 0.446 120.058 119.800 -0.313 0.000 2.224 194 Q HA -0.086 4.253 4.340 -0.001 0.000 0.203 194 Q C 2.489 178.239 176.000 -0.416 0.000 0.970 194 Q CA 0.757 56.181 55.803 -0.631 0.000 0.865 194 Q CB 0.090 28.097 28.738 -1.218 0.000 0.922 194 Q HN 0.380 nan 8.270 nan 0.000 0.445 195 V N 0.237 119.998 119.914 -0.255 0.000 2.427 195 V HA -0.195 3.925 4.120 -0.001 0.000 0.248 195 V C 2.206 178.456 176.094 0.261 0.000 1.051 195 V CA 1.731 63.991 62.300 -0.067 0.000 1.048 195 V CB -0.387 31.242 31.823 -0.323 0.000 0.666 195 V HN 0.241 nan 8.190 nan 0.000 0.456 196 S N -0.350 115.520 115.700 0.283 0.000 2.387 196 S HA -0.098 4.371 4.470 -0.001 0.000 0.226 196 S C 1.763 176.665 174.600 0.502 0.000 1.026 196 S CA 1.266 59.745 58.200 0.465 0.000 0.972 196 S CB -0.364 63.192 63.200 0.594 0.000 0.814 196 S HN 0.581 nan 8.310 nan 0.000 0.477 197 F N 2.469 122.466 119.950 0.078 0.000 2.146 197 F HA -0.005 4.521 4.527 -0.001 0.000 0.298 197 F C 1.850 177.702 175.800 0.087 0.000 1.096 197 F CA 0.687 58.663 58.000 -0.041 0.000 1.275 197 F CB -0.593 38.179 39.000 -0.380 0.000 1.008 197 F HN 0.142 nan 8.300 nan 0.000 0.480 198 L N -0.350 121.137 121.223 0.439 0.000 2.017 198 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 198 L C 1.861 178.865 176.870 0.223 0.000 1.073 198 L CA 1.965 57.006 54.840 0.335 0.000 0.745 198 L CB -1.303 40.937 42.059 0.302 0.000 0.894 198 L HN 0.077 nan 8.230 nan 0.000 0.432 199 F N -0.054 120.034 119.950 0.230 0.000 2.802 199 F HA 0.079 4.605 4.527 -0.001 0.000 0.300 199 F C 1.812 177.712 175.800 0.167 0.000 1.168 199 F CA 0.400 58.524 58.000 0.207 0.000 1.433 199 F CB -0.911 38.216 39.000 0.212 0.000 1.115 199 F HN 0.230 nan 8.300 nan 0.000 0.582 200 S N -0.908 114.964 115.700 0.287 0.000 2.640 200 S HA 0.044 4.514 4.470 -0.001 0.000 0.262 200 S C 1.151 175.808 174.600 0.094 0.000 1.232 200 S CA -0.453 57.852 58.200 0.174 0.000 0.988 200 S CB 0.552 63.855 63.200 0.173 0.000 1.034 200 S HN 0.105 nan 8.310 nan 0.000 0.569 201 D N 0.319 120.742 120.400 0.039 0.000 2.182 201 D HA -0.027 4.612 4.640 -0.001 0.000 0.201 201 D C 1.781 178.105 176.300 0.040 0.000 0.986 201 D CA 0.919 54.936 54.000 0.028 0.000 0.847 201 D CB -0.069 40.731 40.800 -0.000 0.000 0.942 201 D HN 0.335 nan 8.370 nan 0.000 0.467 202 R N 0.198 120.707 120.500 0.014 0.000 2.339 202 R HA 0.084 4.424 4.340 -0.001 0.000 0.199 202 R C 1.858 178.253 176.300 0.159 0.000 1.018 202 R CA 0.387 56.520 56.100 0.055 0.000 1.036 202 R CB -0.625 29.610 30.300 -0.109 0.000 0.899 202 R HN 0.180 nan 8.270 nan 0.000 0.473 203 G N 0.508 109.385 108.800 0.128 0.000 2.484 203 G HA2 -0.044 3.915 3.960 -0.001 0.000 0.218 203 G HA3 -0.044 3.915 3.960 -0.001 0.000 0.218 203 G C 0.741 175.707 174.900 0.111 0.000 1.130 203 G CA 0.157 45.332 45.100 0.126 0.000 0.784 203 G HN 0.247 nan 8.290 nan 0.000 0.543 204 I N 1.121 121.752 120.570 0.103 0.000 2.595 204 I HA 0.240 4.409 4.170 -0.001 0.000 0.276 204 I C -2.783 173.397 176.117 0.106 0.000 1.109 204 I CA -1.969 59.389 61.300 0.097 0.000 1.084 204 I CB 2.675 40.714 38.000 0.064 0.000 1.206 204 I HN -0.185 nan 8.210 nan 0.000 0.486 205 P HA 0.012 nan 4.420 nan 0.000 0.271 205 P C -0.295 177.086 177.300 0.135 0.000 1.216 205 P CA -0.149 63.039 63.100 0.146 0.000 0.776 205 P CB 0.728 32.534 31.700 0.177 0.000 0.881 206 D N 2.799 123.282 120.400 0.139 0.000 2.600 206 D HA 0.268 4.907 4.640 -0.001 0.000 0.226 206 D C 0.891 177.302 176.300 0.186 0.000 1.119 206 D CA 0.871 54.972 54.000 0.168 0.000 1.051 206 D CB -0.997 39.836 40.800 0.056 0.000 1.106 206 D HN 0.581 nan 8.370 nan 0.000 0.491 207 G N 2.827 111.671 108.800 0.074 0.000 2.582 207 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.222 207 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.222 207 G C 0.514 175.256 174.900 -0.264 0.000 1.311 207 G CA -0.479 44.486 45.100 -0.227 0.000 0.915 207 G HN 0.502 nan 8.290 nan 0.000 0.528 208 H N 0.291 119.216 119.070 -0.242 0.000 2.639 208 H HA 0.144 4.699 4.556 -0.001 0.000 0.267 208 H C 2.595 177.722 175.328 -0.335 0.000 0.958 208 H CA 0.961 56.708 56.048 -0.501 0.000 1.221 208 H CB 0.311 29.334 29.762 -1.231 0.000 1.446 208 H HN 0.469 nan 8.280 nan 0.000 0.512 209 R N 0.596 120.985 120.500 -0.186 0.000 2.323 209 R HA 0.011 4.350 4.340 -0.001 0.000 0.198 209 R C 0.296 176.330 176.300 -0.443 0.000 0.988 209 R CA 0.397 56.314 56.100 -0.306 0.000 1.041 209 R CB 0.189 30.212 30.300 -0.461 0.000 0.926 209 R HN 0.355 nan 8.270 nan 0.000 0.476 210 H N -0.053 119.047 119.070 0.051 0.000 2.581 210 H HA 0.210 4.765 4.556 -0.001 0.000 0.275 210 H C 0.240 175.670 175.328 0.169 0.000 1.126 210 H CA 0.011 56.106 56.048 0.079 0.000 1.097 210 H CB 0.360 30.147 29.762 0.042 0.000 1.626 210 H HN 0.173 nan 8.280 nan 0.000 0.565 211 M N -1.074 118.724 119.600 0.329 0.000 2.761 211 M HA 0.549 5.028 4.480 -0.001 0.000 0.305 211 M C -1.095 175.497 176.300 0.486 0.000 1.235 211 M CA -1.003 54.511 55.300 0.357 0.000 0.850 211 M CB 2.263 35.045 32.600 0.304 0.000 1.744 211 M HN -0.315 nan 8.290 nan 0.000 0.480 212 D N -0.217 120.387 120.400 0.339 0.000 2.539 212 D HA 0.785 5.425 4.640 -0.001 0.000 0.276 212 D C -0.487 175.661 176.300 -0.253 0.000 1.206 212 D CA -0.070 53.998 54.000 0.114 0.000 1.081 212 D CB 1.297 42.038 40.800 -0.100 0.000 1.142 212 D HN 0.906 nan 8.370 nan 0.000 0.595 213 G N -0.995 107.133 108.800 -1.122 0.000 2.571 213 G HA2 0.580 4.539 3.960 -0.001 0.000 0.304 213 G HA3 0.580 4.539 3.960 -0.001 0.000 0.304 213 G C -1.846 171.739 174.900 -2.192 0.000 1.314 213 G CA -0.442 43.394 45.100 -2.106 0.000 0.975 213 G HN 0.274 nan 8.290 nan 0.000 0.485 214 Y N 0.064 119.816 120.300 -0.914 0.000 2.361 214 Y HA 0.419 4.969 4.550 -0.001 0.000 0.328 214 Y C 1.129 176.942 175.900 -0.143 0.000 1.044 214 Y CA -0.446 57.412 58.100 -0.404 0.000 1.085 214 Y CB 2.534 40.828 38.460 -0.278 0.000 1.194 214 Y HN 0.685 nan 8.280 nan 0.000 0.438 215 G N 0.661 109.557 108.800 0.161 0.000 2.586 215 G HA2 -0.059 3.900 3.960 -0.001 0.000 0.215 215 G HA3 -0.059 3.900 3.960 -0.001 0.000 0.215 215 G C 1.145 176.170 174.900 0.208 0.000 1.128 215 G CA 1.091 46.300 45.100 0.181 0.000 0.774 215 G HN 0.749 nan 8.290 nan 0.000 0.543 216 S N -0.816 114.913 115.700 0.050 0.000 3.379 216 S HA -0.288 4.181 4.470 -0.001 0.000 0.389 216 S C 1.216 175.755 174.600 -0.102 0.000 1.477 216 S CA 1.671 59.810 58.200 -0.102 0.000 3.394 216 S CB -1.111 61.969 63.200 -0.201 0.000 1.624 216 S HN 0.673 nan 8.310 nan 0.000 0.489 217 H N 1.546 120.649 119.070 0.055 0.000 2.654 217 H HA 0.333 4.889 4.556 -0.001 0.000 0.376 217 H C 0.649 175.894 175.328 -0.137 0.000 1.503 217 H CA 0.980 56.946 56.048 -0.138 0.000 1.464 217 H CB -0.107 29.402 29.762 -0.421 0.000 1.565 217 H HN 0.408 nan 8.280 nan 0.000 0.614 218 T N 1.711 116.177 114.554 -0.147 0.000 2.867 218 T HA 0.411 4.761 4.350 -0.001 0.000 0.282 218 T C -0.256 174.286 174.700 -0.263 0.000 1.000 218 T CA -0.280 61.721 62.100 -0.165 0.000 1.042 218 T CB 0.326 69.155 68.868 -0.064 0.000 0.973 218 T HN 0.182 nan 8.240 nan 0.000 0.465 219 F N 0.950 120.869 119.950 -0.052 0.000 2.712 219 F HA 0.661 5.187 4.527 -0.001 0.000 0.367 219 F C 0.354 176.247 175.800 0.155 0.000 1.132 219 F CA -1.230 56.797 58.000 0.046 0.000 1.066 219 F CB 1.306 40.388 39.000 0.136 0.000 1.416 219 F HN 0.206 nan 8.300 nan 0.000 0.515 220 K N 1.318 121.948 120.400 0.383 0.000 2.378 220 K HA 0.671 4.990 4.320 -0.001 0.000 0.252 220 K C -1.994 174.721 176.600 0.191 0.000 0.931 220 K CA -0.394 56.100 56.287 0.345 0.000 0.794 220 K CB 1.674 34.377 32.500 0.340 0.000 1.181 220 K HN 0.628 nan 8.250 nan 0.000 0.425 221 L N 3.390 124.684 121.223 0.118 0.000 2.346 221 L HA 0.580 4.920 4.340 -0.001 0.000 0.274 221 L C -0.893 176.009 176.870 0.053 0.000 1.007 221 L CA -1.171 53.712 54.840 0.072 0.000 0.818 221 L CB 2.150 44.237 42.059 0.046 0.000 1.284 221 L HN 0.320 nan 8.230 nan 0.000 0.424 222 V N 1.948 121.892 119.914 0.050 0.000 2.577 222 V HA 0.336 4.455 4.120 -0.001 0.000 0.303 222 V C -0.486 175.639 176.094 0.052 0.000 1.042 222 V CA -0.836 61.490 62.300 0.043 0.000 0.872 222 V CB 1.982 33.839 31.823 0.057 0.000 0.998 222 V HN 0.928 nan 8.190 nan 0.000 0.423 223 N N 3.978 122.705 118.700 0.044 0.000 2.476 223 N HA 0.529 5.268 4.740 -0.001 0.000 0.287 223 N C 1.065 176.590 175.510 0.025 0.000 1.262 223 N CA -0.072 52.996 53.050 0.030 0.000 0.980 223 N CB 0.850 39.339 38.487 0.004 0.000 1.163 223 N HN 0.559 nan 8.380 nan 0.000 0.592 224 A N -1.358 121.470 122.820 0.013 0.000 2.125 224 A HA -0.082 4.237 4.320 -0.001 0.000 0.219 224 A C 0.467 178.057 177.584 0.010 0.000 1.156 224 A CA 1.116 53.160 52.037 0.011 0.000 0.671 224 A CB -0.564 18.439 19.000 0.004 0.000 0.794 224 A HN 0.684 nan 8.150 nan 0.000 0.459 225 D N -0.997 119.407 120.400 0.006 0.000 2.525 225 D HA 0.313 4.952 4.640 -0.001 0.000 0.229 225 D C 1.243 177.550 176.300 0.012 0.000 1.202 225 D CA 0.683 54.685 54.000 0.003 0.000 0.828 225 D CB -0.018 40.777 40.800 -0.009 0.000 1.008 225 D HN 0.456 nan 8.370 nan 0.000 0.493 226 G N 1.587 110.406 108.800 0.033 0.000 2.186 226 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.266 226 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.266 226 G C 0.163 175.126 174.900 0.105 0.000 0.982 226 G CA 0.284 45.425 45.100 0.070 0.000 0.670 226 G HN 0.406 nan 8.290 nan 0.000 0.533 227 E N 0.481 120.707 120.200 0.043 0.000 2.289 227 E HA 0.596 4.946 4.350 -0.001 0.000 0.278 227 E C 0.508 177.101 176.600 -0.013 0.000 1.032 227 E CA 0.206 56.613 56.400 0.011 0.000 0.854 227 E CB 1.232 30.924 29.700 -0.013 0.000 1.046 227 E HN 0.597 nan 8.360 nan 0.000 0.409 228 A N 2.558 125.307 122.820 -0.117 0.000 2.330 228 A HA 0.771 5.090 4.320 -0.001 0.000 0.329 228 A C -0.564 177.034 177.584 0.022 0.000 1.135 228 A CA -0.678 51.261 52.037 -0.163 0.000 0.817 228 A CB 1.270 19.887 19.000 -0.638 0.000 1.269 228 A HN 0.508 nan 8.150 nan 0.000 0.469 229 V N -1.938 118.017 119.914 0.068 0.000 3.120 229 V HA 0.713 4.833 4.120 -0.001 0.000 0.303 229 V C -1.828 174.273 176.094 0.013 0.000 1.238 229 V CA -1.041 61.290 62.300 0.053 0.000 1.008 229 V CB 1.247 33.154 31.823 0.141 0.000 1.064 229 V HN 0.745 nan 8.190 nan 0.000 0.434 230 Y N 2.453 122.800 120.300 0.078 0.000 2.320 230 Y HA 0.819 5.368 4.550 -0.001 0.000 0.334 230 Y C 0.752 176.799 175.900 0.245 0.000 1.055 230 Y CA -0.718 57.460 58.100 0.130 0.000 1.143 230 Y CB 1.331 39.871 38.460 0.134 0.000 1.193 230 Y HN 1.229 nan 8.280 nan 0.000 0.477 231 C N 1.746 121.185 119.300 0.232 0.000 3.213 231 C HA 0.831 5.291 4.460 -0.001 0.000 0.319 231 C C -1.111 173.630 174.990 -0.415 0.000 1.386 231 C CA -1.247 57.720 59.018 -0.085 0.000 1.494 231 C CB 2.230 29.786 27.740 -0.307 0.000 1.905 231 C HN 0.712 nan 8.230 nan 0.000 0.456 232 K N 0.601 120.680 120.400 -0.535 0.000 2.378 232 K HA 0.598 4.917 4.320 -0.001 0.000 0.252 232 K C -1.736 174.598 176.600 -0.444 0.000 0.931 232 K CA -0.078 55.896 56.287 -0.521 0.000 0.794 232 K CB 1.901 34.056 32.500 -0.574 0.000 1.181 232 K HN 0.712 nan 8.250 nan 0.000 0.425 233 F N 2.237 122.043 119.950 -0.239 0.000 2.404 233 F HA 0.335 4.861 4.527 -0.001 0.000 0.339 233 F C 0.791 176.482 175.800 -0.181 0.000 1.105 233 F CA -0.147 57.780 58.000 -0.121 0.000 1.087 233 F CB 1.000 39.914 39.000 -0.144 0.000 1.143 233 F HN 0.269 nan 8.300 nan 0.000 0.491 234 H N 3.203 122.507 119.070 0.390 0.000 2.759 234 H HA 0.291 4.847 4.556 -0.001 0.000 0.354 234 H C -1.571 173.984 175.328 0.378 0.000 1.074 234 H CA -0.767 55.445 56.048 0.273 0.000 1.226 234 H CB 2.044 31.982 29.762 0.292 0.000 1.648 234 H HN 0.508 nan 8.280 nan 0.000 0.529 235 Y N 0.508 120.777 120.300 -0.051 0.000 2.488 235 Y HA 0.357 4.906 4.550 -0.001 0.000 0.330 235 Y C -0.196 175.759 175.900 0.092 0.000 1.013 235 Y CA -1.461 56.616 58.100 -0.038 0.000 1.304 235 Y CB 0.343 38.619 38.460 -0.307 0.000 1.098 235 Y HN 0.170 nan 8.280 nan 0.000 0.498 236 K N 1.493 122.120 120.400 0.378 0.000 2.218 236 K HA 0.236 4.555 4.320 -0.001 0.000 0.276 236 K C 0.265 177.181 176.600 0.526 0.000 1.022 236 K CA -0.397 56.131 56.287 0.403 0.000 0.946 236 K CB 1.858 34.616 32.500 0.430 0.000 1.000 236 K HN 0.764 nan 8.250 nan 0.000 0.468 237 T N 1.406 116.255 114.554 0.492 0.000 2.916 237 T HA 0.008 4.357 4.350 -0.001 0.000 0.303 237 T C 0.592 175.293 174.700 0.001 0.000 1.025 237 T CA -0.264 61.919 62.100 0.138 0.000 1.142 237 T CB 0.252 69.215 68.868 0.158 0.000 0.947 237 T HN 0.326 nan 8.240 nan 0.000 0.544 238 D N 2.224 122.511 120.400 -0.188 0.000 2.271 238 D HA -0.027 4.612 4.640 -0.001 0.000 0.206 238 D C 1.937 178.182 176.300 -0.092 0.000 0.967 238 D CA 0.571 54.521 54.000 -0.083 0.000 0.867 238 D CB 0.236 40.978 40.800 -0.096 0.000 0.960 238 D HN 0.686 nan 8.370 nan 0.000 0.509 239 Q N 0.702 120.382 119.800 -0.200 0.000 2.415 239 Q HA 0.212 4.551 4.340 -0.001 0.000 0.206 239 Q C 0.856 176.896 176.000 0.066 0.000 0.946 239 Q CA 0.313 56.036 55.803 -0.133 0.000 0.951 239 Q CB -0.380 28.129 28.738 -0.381 0.000 1.026 239 Q HN 0.058 nan 8.270 nan 0.000 0.510 240 G N 1.808 110.655 108.800 0.078 0.000 2.825 240 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.686 240 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.686 240 G C -0.578 174.472 174.900 0.250 0.000 1.362 240 G CA -0.603 44.590 45.100 0.156 0.000 0.975 240 G HN 0.284 nan 8.290 nan 0.000 0.594 241 I N 1.718 122.404 120.570 0.193 0.000 2.752 241 I HA 0.227 4.397 4.170 -0.001 0.000 0.286 241 I C 0.902 177.100 176.117 0.134 0.000 1.180 241 I CA 1.156 62.571 61.300 0.192 0.000 1.404 241 I CB 0.724 38.820 38.000 0.160 0.000 1.389 241 I HN 0.558 nan 8.210 nan 0.000 0.549 242 K N 6.781 127.259 120.400 0.130 0.000 2.578 242 K HA 0.450 4.769 4.320 -0.001 0.000 0.250 242 K C -1.059 175.559 176.600 0.029 0.000 0.955 242 K CA -0.543 55.730 56.287 -0.022 0.000 0.825 242 K CB 0.936 33.225 32.500 -0.352 0.000 1.151 242 K HN 0.638 nan 8.250 nan 0.000 0.432 243 N N 3.531 122.247 118.700 0.027 0.000 2.459 243 N HA 0.404 5.143 4.740 -0.001 0.000 0.288 243 N C -0.760 174.763 175.510 0.022 0.000 1.186 243 N CA -0.853 52.226 53.050 0.047 0.000 0.917 243 N CB 1.480 39.999 38.487 0.053 0.000 1.219 243 N HN 0.229 nan 8.380 nan 0.000 0.525 244 L N 0.849 122.092 121.223 0.033 0.000 2.379 244 L HA 0.269 4.608 4.340 -0.001 0.000 0.269 244 L C 0.857 177.730 176.870 0.004 0.000 1.084 244 L CA -0.354 54.490 54.840 0.007 0.000 0.802 244 L CB 1.569 43.629 42.059 0.001 0.000 1.175 244 L HN 0.572 nan 8.230 nan 0.000 0.448 245 S N 0.899 116.592 115.700 -0.012 0.000 2.600 245 S HA 0.107 4.576 4.470 -0.001 0.000 0.265 245 S C 1.057 175.661 174.600 0.006 0.000 1.325 245 S CA -0.733 57.466 58.200 -0.002 0.000 1.002 245 S CB 1.385 64.580 63.200 -0.009 0.000 0.921 245 S HN 0.354 nan 8.310 nan 0.000 0.554 246 V N 2.773 122.700 119.914 0.022 0.000 2.759 246 V HA -0.088 4.032 4.120 -0.001 0.000 0.256 246 V C 2.270 178.382 176.094 0.030 0.000 1.080 246 V CA 2.159 64.480 62.300 0.035 0.000 1.101 246 V CB -1.338 30.518 31.823 0.056 0.000 0.698 246 V HN 0.967 nan 8.190 nan 0.000 0.477 247 E N -0.165 120.046 120.200 0.019 0.000 2.201 247 E HA -0.099 4.250 4.350 -0.001 0.000 0.193 247 E C 1.467 178.065 176.600 -0.003 0.000 0.957 247 E CA 0.747 57.158 56.400 0.018 0.000 0.858 247 E CB -0.327 29.384 29.700 0.019 0.000 0.816 247 E HN 0.466 nan 8.360 nan 0.000 0.475 248 D N 1.992 122.377 120.400 -0.025 0.000 2.104 248 D HA -0.125 4.514 4.640 -0.001 0.000 0.194 248 D C 2.020 178.259 176.300 -0.101 0.000 0.994 248 D CA 2.131 56.090 54.000 -0.068 0.000 0.830 248 D CB -0.137 40.617 40.800 -0.076 0.000 0.959 248 D HN 0.362 nan 8.370 nan 0.000 0.452 249 A N 0.580 123.357 122.820 -0.072 0.000 1.897 249 A HA 0.082 4.401 4.320 -0.001 0.000 0.215 249 A C 2.230 179.794 177.584 -0.033 0.000 1.181 249 A CA 1.721 53.715 52.037 -0.073 0.000 0.620 249 A CB -0.814 18.173 19.000 -0.022 0.000 0.821 249 A HN 0.224 nan 8.150 nan 0.000 0.443 250 A N 0.587 123.410 122.820 0.006 0.000 1.972 250 A HA -0.155 4.164 4.320 -0.001 0.000 0.219 250 A C 2.192 179.835 177.584 0.098 0.000 1.169 250 A CA 1.848 53.913 52.037 0.047 0.000 0.635 250 A CB -0.413 18.616 19.000 0.050 0.000 0.810 250 A HN 0.745 nan 8.150 nan 0.000 0.446 251 R N -0.893 119.646 120.500 0.064 0.000 2.087 251 R HA 0.263 4.603 4.340 -0.001 0.000 0.216 251 R C 1.855 178.042 176.300 -0.188 0.000 1.114 251 R CA 0.815 56.980 56.100 0.109 0.000 1.002 251 R CB -0.777 29.567 30.300 0.073 0.000 0.903 251 R HN 0.287 nan 8.270 nan 0.000 0.445 252 L N 1.382 122.490 121.223 -0.191 0.000 2.137 252 L HA -0.232 4.108 4.340 -0.001 0.000 0.213 252 L C 2.747 179.506 176.870 -0.186 0.000 1.085 252 L CA 1.336 56.017 54.840 -0.265 0.000 0.760 252 L CB -0.611 41.219 42.059 -0.382 0.000 0.893 252 L HN 0.530 nan 8.230 nan 0.000 0.434 253 A N 0.389 123.163 122.820 -0.077 0.000 1.859 253 A HA -0.301 4.018 4.320 -0.001 0.000 0.218 253 A C 2.122 179.723 177.584 0.027 0.000 1.209 253 A CA 2.289 54.336 52.037 0.016 0.000 0.639 253 A CB -1.039 18.012 19.000 0.085 0.000 0.835 253 A HN 0.710 nan 8.150 nan 0.000 0.450 254 H N -1.557 117.507 119.070 -0.009 0.000 2.535 254 H HA 0.172 4.727 4.556 -0.001 0.000 0.273 254 H C 1.511 176.837 175.328 -0.004 0.000 0.983 254 H CA 0.942 56.988 56.048 -0.004 0.000 1.238 254 H CB -0.298 29.461 29.762 -0.005 0.000 1.412 254 H HN 0.591 nan 8.280 nan 0.000 0.562 255 E N 0.790 120.616 120.200 -0.623 0.000 2.006 255 E HA -0.099 4.250 4.350 -0.001 0.000 0.192 255 E C -0.047 176.460 176.600 -0.156 0.000 0.993 255 E CA 1.107 57.267 56.400 -0.402 0.000 0.808 255 E CB 0.146 29.612 29.700 -0.391 0.000 0.764 255 E HN 0.321 nan 8.360 nan 0.000 0.449 256 D N -0.491 119.844 120.400 -0.109 0.000 2.346 256 D HA 0.105 4.745 4.640 -0.001 0.000 0.255 256 D C -2.054 174.271 176.300 0.041 0.000 1.276 256 D CA -2.121 51.878 54.000 -0.001 0.000 0.941 256 D CB 1.280 42.122 40.800 0.070 0.000 1.199 256 D HN -0.187 nan 8.370 nan 0.000 0.537 257 P HA -0.026 nan 4.420 nan 0.000 0.222 257 P C -0.069 177.278 177.300 0.079 0.000 1.147 257 P CA 0.746 63.879 63.100 0.054 0.000 0.790 257 P CB 0.514 32.239 31.700 0.041 0.000 0.780 258 D N -1.585 118.861 120.400 0.077 0.000 2.525 258 D HA 0.013 4.652 4.640 -0.001 0.000 0.229 258 D C 1.258 177.613 176.300 0.093 0.000 1.202 258 D CA -0.590 53.455 54.000 0.076 0.000 0.828 258 D CB -0.634 40.187 40.800 0.033 0.000 1.008 258 D HN 0.091 nan 8.370 nan 0.000 0.493 259 Y N 2.102 122.397 120.300 -0.009 0.000 2.139 259 Y HA -0.238 4.311 4.550 -0.001 0.000 0.282 259 Y C 2.180 178.051 175.900 -0.049 0.000 1.179 259 Y CA 2.124 60.208 58.100 -0.027 0.000 1.161 259 Y CB -0.280 38.156 38.460 -0.040 0.000 0.970 259 Y HN 0.090 nan 8.280 nan 0.000 0.511 260 G N 0.287 108.986 108.800 -0.167 0.000 2.404 260 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.215 260 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.215 260 G C 1.642 176.459 174.900 -0.138 0.000 1.174 260 G CA 0.837 45.694 45.100 -0.406 0.000 0.780 260 G HN 0.368 nan 8.290 nan 0.000 0.537 261 L N 0.619 121.880 121.223 0.063 0.000 1.990 261 L HA -0.120 4.219 4.340 -0.001 0.000 0.213 261 L C 2.883 179.824 176.870 0.118 0.000 1.072 261 L CA 2.206 57.138 54.840 0.153 0.000 0.755 261 L CB -0.935 41.199 42.059 0.125 0.000 0.889 261 L HN 0.338 nan 8.230 nan 0.000 0.432 262 R N 0.297 120.816 120.500 0.032 0.000 2.070 262 R HA -0.201 4.138 4.340 -0.001 0.000 0.233 262 R C 2.224 178.544 176.300 0.033 0.000 1.137 262 R CA 1.983 58.111 56.100 0.046 0.000 0.945 262 R CB -0.574 29.733 30.300 0.012 0.000 0.845 262 R HN 0.369 nan 8.270 nan 0.000 0.430 263 D N 0.091 120.400 120.400 -0.151 0.000 2.157 263 D HA -0.225 4.414 4.640 -0.001 0.000 0.191 263 D C 1.786 178.048 176.300 -0.063 0.000 1.004 263 D CA 1.752 55.628 54.000 -0.206 0.000 0.854 263 D CB 0.005 40.499 40.800 -0.509 0.000 0.936 263 D HN 0.305 nan 8.370 nan 0.000 0.446 264 L N -0.078 121.144 121.223 -0.002 0.000 2.072 264 L HA -0.017 4.322 4.340 -0.001 0.000 0.205 264 L C 2.301 179.257 176.870 0.144 0.000 1.079 264 L CA 1.362 56.250 54.840 0.081 0.000 0.752 264 L CB -1.234 40.932 42.059 0.179 0.000 0.906 264 L HN 0.033 nan 8.230 nan 0.000 0.436 265 F N 0.623 120.625 119.950 0.085 0.000 2.126 265 F HA -0.259 4.267 4.527 -0.001 0.000 0.299 265 F C 2.292 178.148 175.800 0.093 0.000 1.096 265 F CA 1.970 60.037 58.000 0.111 0.000 1.255 265 F CB -0.339 38.729 39.000 0.113 0.000 0.997 265 F HN 0.258 nan 8.300 nan 0.000 0.479 266 N N 0.741 119.594 118.700 0.255 0.000 2.142 266 N HA -0.135 4.604 4.740 -0.001 0.000 0.186 266 N C 2.080 177.607 175.510 0.028 0.000 1.023 266 N CA 1.304 54.448 53.050 0.156 0.000 0.852 266 N CB -0.885 37.696 38.487 0.155 0.000 0.998 266 N HN 0.409 nan 8.380 nan 0.000 0.424 267 A N 2.073 124.901 122.820 0.013 0.000 1.859 267 A HA -0.169 4.150 4.320 -0.001 0.000 0.218 267 A C 2.343 179.913 177.584 -0.022 0.000 1.209 267 A CA 1.434 53.460 52.037 -0.018 0.000 0.639 267 A CB -1.002 17.984 19.000 -0.024 0.000 0.835 267 A HN 0.229 nan 8.150 nan 0.000 0.450 268 I N -0.307 120.272 120.570 0.016 0.000 2.163 268 I HA -0.311 3.858 4.170 -0.001 0.000 0.243 268 I C 2.986 179.117 176.117 0.023 0.000 1.085 268 I CA 1.167 62.535 61.300 0.114 0.000 1.347 268 I CB -0.537 37.498 38.000 0.059 0.000 1.044 268 I HN 0.394 nan 8.210 nan 0.000 0.408 269 A N 0.866 123.597 122.820 -0.147 0.000 1.948 269 A HA -0.256 4.063 4.320 -0.001 0.000 0.220 269 A C 2.340 179.897 177.584 -0.045 0.000 1.177 269 A CA 2.614 54.563 52.037 -0.147 0.000 0.636 269 A CB -1.140 17.756 19.000 -0.172 0.000 0.815 269 A HN 0.574 nan 8.150 nan 0.000 0.449 270 T N -5.361 109.163 114.554 -0.049 0.000 3.081 270 T HA 0.433 4.782 4.350 -0.001 0.000 0.250 270 T C 1.364 175.975 174.700 -0.147 0.000 1.100 270 T CA 1.070 63.133 62.100 -0.062 0.000 1.038 270 T CB 0.460 69.304 68.868 -0.040 0.000 0.962 270 T HN 1.658 nan 8.240 nan 0.000 0.516 271 G N 1.602 110.242 108.800 -0.268 0.000 2.253 271 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.209 271 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.209 271 G C 0.320 174.711 174.900 -0.849 0.000 0.997 271 G CA -0.140 44.589 45.100 -0.618 0.000 0.640 271 G HN 0.515 nan 8.290 nan 0.000 0.496 272 N N 1.396 119.845 118.700 -0.418 0.000 3.193 272 N HA 0.199 4.939 4.740 -0.001 0.000 0.312 272 N C -0.214 175.192 175.510 -0.173 0.000 1.261 272 N CA -0.140 52.742 53.050 -0.279 0.000 1.208 272 N CB -0.490 37.912 38.487 -0.143 0.000 1.471 272 N HN 0.340 nan 8.380 nan 0.000 0.548 273 Y N 1.298 121.565 120.300 -0.054 0.000 2.721 273 Y HA 0.093 4.642 4.550 -0.001 0.000 0.329 273 Y C -1.412 174.417 175.900 -0.118 0.000 1.211 273 Y CA -2.067 55.993 58.100 -0.066 0.000 1.512 273 Y CB -0.616 37.818 38.460 -0.043 0.000 1.249 273 Y HN 0.313 nan 8.280 nan 0.000 0.549 274 P HA 0.287 nan 4.420 nan 0.000 0.277 274 P C -0.804 176.333 177.300 -0.271 0.000 1.240 274 P CA -0.484 62.462 63.100 -0.257 0.000 0.798 274 P CB 1.719 33.189 31.700 -0.383 0.000 0.979 275 S N 0.673 116.110 115.700 -0.438 0.000 2.588 275 S HA 0.723 5.193 4.470 -0.001 0.000 0.275 275 S C -1.544 172.881 174.600 -0.292 0.000 1.130 275 S CA -0.769 57.311 58.200 -0.201 0.000 0.855 275 S CB 1.523 64.691 63.200 -0.054 0.000 1.116 275 S HN 0.510 nan 8.310 nan 0.000 0.472 276 W N 0.624 121.997 121.300 0.120 0.000 2.936 276 W HA 0.465 5.124 4.660 -0.001 0.000 0.338 276 W C -0.926 175.653 176.519 0.099 0.000 1.121 276 W CA -0.657 56.776 57.345 0.146 0.000 1.209 276 W CB 2.442 32.041 29.460 0.232 0.000 1.420 276 W HN 0.650 nan 8.180 nan 0.000 0.516 277 T N 3.245 117.968 114.554 0.282 0.000 2.795 277 T HA 0.336 4.685 4.350 -0.001 0.000 0.282 277 T C -0.565 174.098 174.700 -0.062 0.000 0.980 277 T CA -0.516 61.602 62.100 0.031 0.000 1.012 277 T CB 1.353 70.142 68.868 -0.132 0.000 0.936 277 T HN 0.175 nan 8.240 nan 0.000 0.457 278 L N 4.820 126.007 121.223 -0.061 0.000 2.275 278 L HA 0.559 4.898 4.340 -0.001 0.000 0.288 278 L C -1.517 175.260 176.870 -0.155 0.000 1.046 278 L CA -0.255 54.610 54.840 0.042 0.000 0.805 278 L CB -0.078 42.132 42.059 0.251 0.000 1.193 278 L HN 0.555 nan 8.230 nan 0.000 0.426 279 Y N 4.999 125.442 120.300 0.238 0.000 2.630 279 Y HA 0.715 5.264 4.550 -0.001 0.000 0.337 279 Y C -0.046 175.943 175.900 0.150 0.000 1.051 279 Y CA -0.931 57.255 58.100 0.144 0.000 1.121 279 Y CB 1.719 40.242 38.460 0.104 0.000 1.299 279 Y HN 0.563 nan 8.280 nan 0.000 0.498 280 I N -0.917 119.779 120.570 0.211 0.000 2.607 280 I HA 0.567 4.736 4.170 -0.001 0.000 0.290 280 I C -1.435 174.673 176.117 -0.015 0.000 1.129 280 I CA -1.007 60.288 61.300 -0.008 0.000 1.042 280 I CB 2.225 40.070 38.000 -0.258 0.000 1.242 280 I HN 0.484 nan 8.210 nan 0.000 0.421 281 Q N 3.754 123.561 119.800 0.012 0.000 2.230 281 Q HA 0.692 5.031 4.340 -0.001 0.000 0.253 281 Q C -1.176 174.877 176.000 0.087 0.000 0.919 281 Q CA -0.862 55.000 55.803 0.097 0.000 0.908 281 Q CB 2.958 31.834 28.738 0.229 0.000 1.245 281 Q HN 0.633 nan 8.270 nan 0.000 0.437 282 V N 3.523 123.514 119.914 0.128 0.000 2.656 282 V HA 0.557 4.677 4.120 -0.001 0.000 0.307 282 V C -0.567 175.622 176.094 0.159 0.000 1.051 282 V CA -0.710 61.631 62.300 0.068 0.000 0.893 282 V CB 1.905 33.583 31.823 -0.242 0.000 0.999 282 V HN 0.787 nan 8.190 nan 0.000 0.426 283 M N 4.395 124.047 119.600 0.086 0.000 2.324 283 M HA 0.559 5.039 4.480 -0.001 0.000 0.288 283 M C -0.360 175.910 176.300 -0.050 0.000 1.097 283 M CA -0.255 54.942 55.300 -0.172 0.000 0.928 283 M CB 2.351 34.348 32.600 -1.006 0.000 1.648 283 M HN 0.825 nan 8.290 nan 0.000 0.460 284 T N 0.732 115.294 114.554 0.012 0.000 2.913 284 T HA 0.382 4.731 4.350 -0.001 0.000 0.287 284 T C 0.749 175.476 174.700 0.044 0.000 1.008 284 T CA -0.525 61.617 62.100 0.069 0.000 1.067 284 T CB 0.645 69.579 68.868 0.110 0.000 0.996 284 T HN 0.548 nan 8.240 nan 0.000 0.513 285 F N 1.105 120.968 119.950 -0.145 0.000 2.120 285 F HA -0.132 4.394 4.527 -0.001 0.000 0.300 285 F C 2.979 178.769 175.800 -0.017 0.000 1.095 285 F CA 1.675 59.617 58.000 -0.097 0.000 1.249 285 F CB -1.134 37.791 39.000 -0.124 0.000 0.995 285 F HN 0.610 nan 8.300 nan 0.000 0.480 286 S N -0.038 115.765 115.700 0.172 0.000 2.378 286 S HA -0.261 4.209 4.470 -0.001 0.000 0.221 286 S C 1.928 176.577 174.600 0.083 0.000 1.037 286 S CA 1.792 60.054 58.200 0.103 0.000 1.069 286 S CB -0.616 62.629 63.200 0.075 0.000 1.006 286 S HN 0.461 nan 8.310 nan 0.000 0.423 287 E N 1.447 121.695 120.200 0.080 0.000 2.097 287 E HA -0.167 4.182 4.350 -0.001 0.000 0.196 287 E C 2.264 178.894 176.600 0.050 0.000 1.000 287 E CA 1.052 57.511 56.400 0.097 0.000 0.804 287 E CB -0.345 29.453 29.700 0.163 0.000 0.740 287 E HN 0.532 nan 8.360 nan 0.000 0.454 288 A N 1.161 123.950 122.820 -0.051 0.000 2.131 288 A HA -0.254 4.066 4.320 -0.001 0.000 0.220 288 A C 1.808 179.378 177.584 -0.025 0.000 1.158 288 A CA 1.420 53.367 52.037 -0.151 0.000 0.665 288 A CB -0.332 18.606 19.000 -0.104 0.000 0.795 288 A HN 0.232 nan 8.150 nan 0.000 0.460 289 E N -0.327 119.902 120.200 0.049 0.000 2.057 289 E HA -0.053 4.296 4.350 -0.001 0.000 0.190 289 E C 2.060 178.702 176.600 0.070 0.000 0.969 289 E CA 1.037 57.478 56.400 0.067 0.000 0.812 289 E CB -0.305 29.444 29.700 0.081 0.000 0.777 289 E HN 0.853 nan 8.360 nan 0.000 0.455 290 I N -0.619 119.994 120.570 0.072 0.000 2.394 290 I HA -0.072 4.098 4.170 -0.001 0.000 0.251 290 I C 1.092 177.245 176.117 0.060 0.000 1.136 290 I CA 0.138 61.467 61.300 0.049 0.000 1.425 290 I CB -0.524 37.499 38.000 0.037 0.000 1.079 290 I HN -0.123 nan 8.210 nan 0.000 0.425 291 F N 5.288 125.210 119.950 -0.048 0.000 2.537 291 F HA -0.001 4.525 4.527 -0.001 0.000 0.402 291 F C -1.222 174.536 175.800 -0.069 0.000 1.005 291 F CA -1.230 56.737 58.000 -0.055 0.000 1.203 291 F CB 0.213 39.117 39.000 -0.160 0.000 0.955 291 F HN 0.017 nan 8.300 nan 0.000 0.547 292 P HA -0.009 nan 4.420 nan 0.000 0.245 292 P C -0.773 176.153 177.300 -0.623 0.000 1.212 292 P CA 0.690 63.467 63.100 -0.538 0.000 0.774 292 P CB -0.219 30.918 31.700 -0.938 0.000 0.999 293 F N -1.501 118.401 119.950 -0.079 0.000 2.613 293 F HA 0.448 4.975 4.527 -0.001 0.000 0.342 293 F C 0.611 176.570 175.800 0.265 0.000 1.066 293 F CA -3.051 55.013 58.000 0.108 0.000 1.002 293 F CB -0.839 38.228 39.000 0.112 0.000 1.319 293 F HN -0.353 nan 8.300 nan 0.000 0.495 294 N N 3.175 122.105 118.700 0.383 0.000 2.365 294 N HA 0.024 4.764 4.740 -0.001 0.000 0.265 294 N C -1.678 173.849 175.510 0.029 0.000 1.288 294 N CA -0.904 52.245 53.050 0.165 0.000 0.869 294 N CB 0.765 39.339 38.487 0.145 0.000 1.071 294 N HN 0.309 nan 8.380 nan 0.000 0.480 295 P HA -0.020 nan 4.420 nan 0.000 0.237 295 P C 0.123 177.021 177.300 -0.670 0.000 1.178 295 P CA 0.898 63.468 63.100 -0.884 0.000 0.766 295 P CB 0.002 30.918 31.700 -1.308 0.000 0.876 296 F N -1.096 118.817 119.950 -0.062 0.000 2.682 296 F HA 0.242 4.769 4.527 -0.001 0.000 0.308 296 F C 0.970 176.748 175.800 -0.037 0.000 1.093 296 F CA -1.337 56.600 58.000 -0.105 0.000 1.244 296 F CB -0.541 38.358 39.000 -0.168 0.000 1.052 296 F HN -0.146 nan 8.300 nan 0.000 0.573 297 D N 1.713 122.183 120.400 0.116 0.000 2.458 297 D HA -0.060 4.579 4.640 -0.001 0.000 0.243 297 D C 1.164 177.509 176.300 0.074 0.000 1.146 297 D CA 0.215 54.278 54.000 0.104 0.000 0.877 297 D CB 1.234 42.087 40.800 0.088 0.000 1.176 297 D HN 0.143 nan 8.370 nan 0.000 0.461 298 L N 4.014 125.291 121.223 0.090 0.000 2.240 298 L HA -0.055 4.284 4.340 -0.001 0.000 0.211 298 L C 2.191 179.068 176.870 0.010 0.000 1.106 298 L CA 1.402 56.279 54.840 0.063 0.000 0.793 298 L CB -0.471 41.664 42.059 0.126 0.000 0.927 298 L HN 0.627 nan 8.230 nan 0.000 0.446 299 T N -3.156 111.418 114.554 0.032 0.000 3.324 299 T HA 0.165 4.514 4.350 -0.001 0.000 0.250 299 T C 0.475 175.230 174.700 0.092 0.000 1.059 299 T CA -0.284 61.832 62.100 0.027 0.000 0.951 299 T CB -0.255 68.635 68.868 0.037 0.000 1.030 299 T HN -0.075 nan 8.240 nan 0.000 0.576 300 K N 1.576 121.985 120.400 0.016 0.000 2.375 300 K HA 0.678 4.997 4.320 -0.001 0.000 0.249 300 K C -0.732 175.893 176.600 0.042 0.000 0.942 300 K CA -0.841 55.426 56.287 -0.034 0.000 0.806 300 K CB 2.662 35.065 32.500 -0.161 0.000 1.227 300 K HN 0.170 nan 8.250 nan 0.000 0.430 301 V N -1.426 118.567 119.914 0.132 0.000 2.914 301 V HA 0.668 4.787 4.120 -0.001 0.000 0.314 301 V C -1.396 174.972 176.094 0.457 0.000 1.084 301 V CA -0.896 61.513 62.300 0.181 0.000 0.963 301 V CB 1.733 33.641 31.823 0.141 0.000 1.025 301 V HN 0.572 nan 8.190 nan 0.000 0.432 302 W N 3.186 124.569 121.300 0.138 0.000 2.316 302 W HA 0.643 5.302 4.660 -0.001 0.000 0.311 302 W C -2.456 174.231 176.519 0.279 0.000 1.217 302 W CA -2.446 55.040 57.345 0.234 0.000 1.199 302 W CB 0.185 29.662 29.460 0.028 0.000 1.202 302 W HN 0.446 nan 8.180 nan 0.000 0.528 303 P HA 0.140 nan 4.420 nan 0.000 0.292 303 P C 0.327 177.888 177.300 0.436 0.000 1.287 303 P CA -0.261 63.121 63.100 0.470 0.000 0.800 303 P CB 0.934 32.846 31.700 0.354 0.000 0.945 304 H N 1.702 120.891 119.070 0.198 0.000 2.492 304 H HA -0.123 4.433 4.556 -0.001 0.000 0.296 304 H C 2.132 177.515 175.328 0.091 0.000 1.095 304 H CA 1.876 58.000 56.048 0.127 0.000 1.281 304 H CB -1.169 28.622 29.762 0.049 0.000 1.374 304 H HN 0.585 nan 8.280 nan 0.000 0.545 305 G N 0.940 109.874 108.800 0.223 0.000 2.701 305 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.215 305 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.215 305 G C 1.114 176.018 174.900 0.006 0.000 1.297 305 G CA 1.338 46.495 45.100 0.097 0.000 0.807 305 G HN 0.421 nan 8.290 nan 0.000 0.608 306 D N -1.112 119.239 120.400 -0.082 0.000 2.277 306 D HA 0.087 4.727 4.640 -0.001 0.000 0.208 306 D C -0.218 175.703 176.300 -0.632 0.000 0.962 306 D CA 0.608 54.373 54.000 -0.390 0.000 0.865 306 D CB 0.064 40.530 40.800 -0.556 0.000 0.939 306 D HN 0.418 nan 8.370 nan 0.000 0.510 307 Y N 0.397 120.759 120.300 0.103 0.000 2.594 307 Y HA 0.310 4.859 4.550 -0.001 0.000 0.338 307 Y C -2.371 173.580 175.900 0.085 0.000 1.019 307 Y CA -3.042 55.117 58.100 0.098 0.000 1.306 307 Y CB 1.030 39.575 38.460 0.141 0.000 1.094 307 Y HN -0.159 nan 8.280 nan 0.000 0.534 308 P HA 0.064 nan 4.420 nan 0.000 0.272 308 P C -0.513 176.802 177.300 0.025 0.000 1.230 308 P CA -0.357 62.794 63.100 0.086 0.000 0.788 308 P CB 1.696 33.439 31.700 0.072 0.000 0.949 309 L N 2.597 123.786 121.223 -0.056 0.000 2.283 309 L HA 0.192 4.531 4.340 -0.001 0.000 0.287 309 L C 0.225 177.069 176.870 -0.043 0.000 1.073 309 L CA -0.084 54.668 54.840 -0.148 0.000 0.822 309 L CB -0.315 41.522 42.059 -0.370 0.000 1.186 309 L HN 0.221 nan 8.230 nan 0.000 0.436 310 I N 7.090 127.692 120.570 0.054 0.000 2.396 310 I HA 0.354 4.523 4.170 -0.001 0.000 0.292 310 I C -2.052 174.226 176.117 0.267 0.000 0.999 310 I CA -2.124 59.251 61.300 0.125 0.000 1.310 310 I CB 0.788 38.826 38.000 0.065 0.000 1.404 310 I HN 0.422 nan 8.210 nan 0.000 0.496 311 P HA 0.246 nan 4.420 nan 0.000 0.285 311 P C 0.116 177.308 177.300 -0.180 0.000 1.259 311 P CA -0.172 62.924 63.100 -0.006 0.000 0.794 311 P CB 1.528 32.990 31.700 -0.396 0.000 0.940 312 V N 1.725 121.565 119.914 -0.124 0.000 2.948 312 V HA 0.532 4.651 4.120 -0.001 0.000 0.234 312 V C 1.006 177.221 176.094 0.201 0.000 1.205 312 V CA 1.250 63.593 62.300 0.073 0.000 1.234 312 V CB -0.112 31.781 31.823 0.117 0.000 1.020 312 V HN 0.827 nan 8.190 nan 0.000 0.491 313 G N -0.367 108.545 108.800 0.186 0.000 2.428 313 G HA2 0.464 4.423 3.960 -0.001 0.000 0.304 313 G HA3 0.464 4.423 3.960 -0.001 0.000 0.304 313 G C -2.062 172.932 174.900 0.156 0.000 1.303 313 G CA -0.555 44.639 45.100 0.156 0.000 0.825 313 G HN -0.084 nan 8.290 nan 0.000 0.484 314 K N 0.083 120.491 120.400 0.013 0.000 2.207 314 K HA 0.650 4.969 4.320 -0.001 0.000 0.255 314 K C -0.859 175.901 176.600 0.267 0.000 0.941 314 K CA -0.607 55.759 56.287 0.132 0.000 0.825 314 K CB 1.916 34.471 32.500 0.093 0.000 1.119 314 K HN 0.357 nan 8.250 nan 0.000 0.430 315 L N 2.826 124.224 121.223 0.290 0.000 2.319 315 L HA 0.448 4.787 4.340 -0.001 0.000 0.281 315 L C -0.794 176.174 176.870 0.162 0.000 1.005 315 L CA -1.044 53.951 54.840 0.259 0.000 0.828 315 L CB 1.678 43.900 42.059 0.270 0.000 1.227 315 L HN 0.142 nan 8.230 nan 0.000 0.415 316 V N 4.881 124.714 119.914 -0.135 0.000 2.656 316 V HA 0.464 4.583 4.120 -0.001 0.000 0.307 316 V C -0.193 175.749 176.094 -0.253 0.000 1.051 316 V CA -0.559 61.587 62.300 -0.256 0.000 0.893 316 V CB 2.338 33.794 31.823 -0.612 0.000 0.999 316 V HN 0.511 nan 8.190 nan 0.000 0.426 317 L N 4.983 126.173 121.223 -0.056 0.000 2.295 317 L HA 0.506 4.846 4.340 -0.001 0.000 0.281 317 L C 0.205 176.995 176.870 -0.133 0.000 1.018 317 L CA -0.380 54.447 54.840 -0.021 0.000 0.841 317 L CB 1.176 43.336 42.059 0.168 0.000 1.218 317 L HN 0.855 nan 8.230 nan 0.000 0.424 318 N N 2.362 120.873 118.700 -0.315 0.000 2.282 318 N HA 0.150 4.889 4.740 -0.001 0.000 0.240 318 N C -0.097 175.211 175.510 -0.337 0.000 1.182 318 N CA -0.479 52.127 53.050 -0.740 0.000 0.874 318 N CB 0.640 38.416 38.487 -1.185 0.000 1.126 318 N HN 0.485 nan 8.380 nan 0.000 0.516 319 R N -0.013 120.442 120.500 -0.076 0.000 2.548 319 R HA 0.347 4.687 4.340 -0.001 0.000 0.280 319 R C -1.410 174.975 176.300 0.143 0.000 1.061 319 R CA -0.554 55.563 56.100 0.027 0.000 0.915 319 R CB 1.069 31.393 30.300 0.040 0.000 1.210 319 R HN 0.021 nan 8.270 nan 0.000 0.442 320 N N 2.869 121.621 118.700 0.086 0.000 2.476 320 N HA 0.394 5.133 4.740 -0.001 0.000 0.275 320 N C -2.447 173.235 175.510 0.288 0.000 1.190 320 N CA -1.486 51.650 53.050 0.144 0.000 0.977 320 N CB 1.173 39.593 38.487 -0.112 0.000 1.200 320 N HN 0.368 nan 8.380 nan 0.000 0.515 321 P HA 0.124 nan 4.420 nan 0.000 0.275 321 P C 0.641 178.118 177.300 0.295 0.000 1.228 321 P CA -0.307 63.022 63.100 0.381 0.000 0.786 321 P CB 0.945 32.882 31.700 0.394 0.000 0.927 322 V N 0.792 120.817 119.914 0.186 0.000 2.825 322 V HA 0.050 4.169 4.120 -0.001 0.000 0.246 322 V C 0.800 177.011 176.094 0.195 0.000 1.068 322 V CA 1.203 63.612 62.300 0.182 0.000 1.088 322 V CB -0.522 31.364 31.823 0.105 0.000 0.733 322 V HN 0.679 nan 8.190 nan 0.000 0.468 323 N N -1.210 117.601 118.700 0.186 0.000 2.533 323 N HA 0.095 4.834 4.740 -0.001 0.000 0.289 323 N C 0.125 175.786 175.510 0.250 0.000 1.103 323 N CA -0.387 52.785 53.050 0.203 0.000 0.877 323 N CB 1.689 40.271 38.487 0.159 0.000 1.419 323 N HN 0.137 nan 8.380 nan 0.000 0.517 324 Y N 4.575 124.979 120.300 0.173 0.000 2.128 324 Y HA -0.190 4.359 4.550 -0.001 0.000 0.284 324 Y C 1.637 177.646 175.900 0.182 0.000 1.154 324 Y CA 1.753 59.961 58.100 0.179 0.000 1.149 324 Y CB -0.181 38.375 38.460 0.160 0.000 0.976 324 Y HN 0.633 nan 8.280 nan 0.000 0.505 325 F N 0.377 120.505 119.950 0.296 0.000 2.026 325 F HA -0.209 4.317 4.527 -0.001 0.000 0.296 325 F C 2.452 178.286 175.800 0.056 0.000 1.133 325 F CA 1.986 60.096 58.000 0.182 0.000 1.188 325 F CB -1.161 37.928 39.000 0.149 0.000 0.968 325 F HN 0.075 nan 8.300 nan 0.000 0.476 326 A N -0.319 122.546 122.820 0.076 0.000 1.908 326 A HA -0.218 4.101 4.320 -0.001 0.000 0.218 326 A C 2.060 179.590 177.584 -0.090 0.000 1.181 326 A CA 2.138 54.147 52.037 -0.047 0.000 0.627 326 A CB -0.821 18.221 19.000 0.070 0.000 0.818 326 A HN 0.610 nan 8.150 nan 0.000 0.445 327 E N -1.352 118.835 120.200 -0.021 0.000 2.216 327 E HA 0.072 4.422 4.350 -0.001 0.000 0.192 327 E C 1.660 178.237 176.600 -0.037 0.000 0.973 327 E CA 0.825 57.261 56.400 0.060 0.000 0.851 327 E CB 0.211 30.044 29.700 0.221 0.000 0.804 327 E HN 0.395 nan 8.360 nan 0.000 0.477 328 V N 0.276 120.021 119.914 -0.282 0.000 2.806 328 V HA -0.041 4.079 4.120 -0.001 0.000 0.239 328 V C 1.961 177.799 176.094 -0.427 0.000 1.113 328 V CA 0.709 62.733 62.300 -0.460 0.000 1.137 328 V CB 0.181 31.457 31.823 -0.911 0.000 0.865 328 V HN 0.022 nan 8.190 nan 0.000 0.482 329 E N 0.957 120.876 120.200 -0.467 0.000 2.077 329 E HA -0.204 4.146 4.350 -0.001 0.000 0.193 329 E C 2.145 178.553 176.600 -0.319 0.000 0.989 329 E CA 1.542 57.786 56.400 -0.260 0.000 0.800 329 E CB -0.170 29.448 29.700 -0.137 0.000 0.746 329 E HN 0.565 nan 8.360 nan 0.000 0.452 330 Q N -0.420 119.124 119.800 -0.426 0.000 2.444 330 Q HA 0.079 4.418 4.340 -0.001 0.000 0.206 330 Q C 0.148 175.984 176.000 -0.273 0.000 0.948 330 Q CA -0.209 55.380 55.803 -0.357 0.000 0.946 330 Q CB 0.168 28.684 28.738 -0.370 0.000 1.027 330 Q HN 0.287 nan 8.270 nan 0.000 0.513 331 L N 1.219 122.273 121.223 -0.282 0.000 2.490 331 L HA 0.040 4.379 4.340 -0.001 0.000 0.274 331 L C -0.288 176.316 176.870 -0.443 0.000 1.201 331 L CA -0.254 54.350 54.840 -0.394 0.000 0.869 331 L CB 0.485 42.296 42.059 -0.414 0.000 1.123 331 L HN 0.014 nan 8.230 nan 0.000 0.484 332 A N 5.396 127.835 122.820 -0.634 0.000 2.385 332 A HA 0.660 4.979 4.320 -0.001 0.000 0.290 332 A C -1.226 176.028 177.584 -0.550 0.000 1.094 332 A CA -0.434 51.191 52.037 -0.686 0.000 0.729 332 A CB 0.605 18.903 19.000 -1.170 0.000 1.194 332 A HN 0.507 nan 8.150 nan 0.000 0.442 333 F N 1.659 121.663 119.950 0.091 0.000 2.444 333 F HA 0.451 4.977 4.527 -0.001 0.000 0.342 333 F C -0.139 175.768 175.800 0.179 0.000 1.121 333 F CA -0.337 57.685 58.000 0.038 0.000 0.997 333 F CB 2.122 41.075 39.000 -0.079 0.000 1.130 333 F HN 0.436 nan 8.300 nan 0.000 0.454 334 D N 5.298 125.829 120.400 0.218 0.000 2.471 334 D HA 0.222 4.861 4.640 -0.001 0.000 0.245 334 D C -2.011 174.267 176.300 -0.037 0.000 1.116 334 D CA -1.467 52.613 54.000 0.133 0.000 0.853 334 D CB 2.145 43.081 40.800 0.227 0.000 1.123 334 D HN 0.164 nan 8.370 nan 0.000 0.540 335 P HA -0.175 nan 4.420 nan 0.000 0.218 335 P C 1.490 178.792 177.300 0.003 0.000 1.146 335 P CA 1.087 64.094 63.100 -0.155 0.000 0.813 335 P CB 0.243 31.759 31.700 -0.308 0.000 0.778 336 S N -1.887 113.817 115.700 0.007 0.000 2.469 336 S HA -0.120 4.349 4.470 -0.001 0.000 0.238 336 S C 0.900 175.541 174.600 0.068 0.000 0.998 336 S CA 0.463 58.693 58.200 0.050 0.000 0.957 336 S CB -1.474 61.767 63.200 0.067 0.000 0.764 336 S HN 0.192 nan 8.310 nan 0.000 0.514 337 N N 1.651 120.396 118.700 0.075 0.000 2.421 337 N HA 0.330 5.069 4.740 -0.001 0.000 0.260 337 N C -1.019 174.569 175.510 0.131 0.000 1.173 337 N CA 0.206 53.302 53.050 0.077 0.000 0.960 337 N CB 0.132 38.652 38.487 0.055 0.000 1.273 337 N HN 0.399 nan 8.380 nan 0.000 0.497 338 M N 2.965 122.613 119.600 0.080 0.000 2.151 338 M HA 0.375 4.855 4.480 -0.001 0.000 0.290 338 M C -2.476 173.792 176.300 -0.053 0.000 0.965 338 M CA -1.789 53.527 55.300 0.027 0.000 0.930 338 M CB 2.109 34.731 32.600 0.037 0.000 1.560 338 M HN 0.181 nan 8.290 nan 0.000 0.438 339 P HA 0.283 nan 4.420 nan 0.000 0.273 339 P C -2.631 174.591 177.300 -0.131 0.000 1.250 339 P CA -1.105 61.919 63.100 -0.127 0.000 0.793 339 P CB -0.473 31.124 31.700 -0.172 0.000 1.011 340 P HA 0.162 nan 4.420 nan 0.000 0.265 340 P C 0.739 177.999 177.300 -0.067 0.000 1.222 340 P CA 1.001 64.070 63.100 -0.051 0.000 0.767 340 P CB -0.199 31.485 31.700 -0.027 0.000 0.801 341 G N 2.935 111.709 108.800 -0.044 0.000 2.551 341 G HA2 -0.110 3.849 3.960 -0.001 0.000 0.186 341 G HA3 -0.110 3.849 3.960 -0.001 0.000 0.186 341 G C -0.172 174.709 174.900 -0.032 0.000 1.002 341 G CA -0.443 44.643 45.100 -0.023 0.000 0.723 341 G HN 0.447 nan 8.290 nan 0.000 0.481 342 I N 0.980 121.494 120.570 -0.094 0.000 2.465 342 I HA 0.730 4.900 4.170 -0.001 0.000 0.291 342 I C -0.523 175.607 176.117 0.021 0.000 1.014 342 I CA -0.748 60.505 61.300 -0.077 0.000 1.093 342 I CB 2.153 39.945 38.000 -0.347 0.000 1.267 342 I HN 0.045 nan 8.210 nan 0.000 0.431 343 E N 6.210 126.485 120.200 0.126 0.000 2.390 343 E HA 0.424 4.774 4.350 -0.001 0.000 0.277 343 E C -2.564 174.131 176.600 0.158 0.000 0.939 343 E CA -1.679 54.801 56.400 0.133 0.000 0.769 343 E CB 3.165 32.939 29.700 0.124 0.000 1.251 343 E HN 0.286 nan 8.360 nan 0.000 0.450 344 P HA -0.027 nan 4.420 nan 0.000 0.278 344 P C -0.653 176.567 177.300 -0.134 0.000 1.270 344 P CA -0.170 62.873 63.100 -0.095 0.000 0.800 344 P CB 0.509 32.133 31.700 -0.127 0.000 1.142 345 S N -2.999 112.496 115.700 -0.342 0.000 2.595 345 S HA 0.489 4.958 4.470 -0.001 0.000 0.281 345 S C -2.368 171.867 174.600 -0.608 0.000 1.117 345 S CA -1.552 56.363 58.200 -0.476 0.000 0.873 345 S CB 1.214 64.067 63.200 -0.579 0.000 1.108 345 S HN 0.107 nan 8.310 nan 0.000 0.477 346 P HA -0.077 nan 4.420 nan 0.000 0.225 346 P C -0.060 176.906 177.300 -0.557 0.000 1.141 346 P CA 0.946 63.606 63.100 -0.733 0.000 0.774 346 P CB -0.281 30.866 31.700 -0.922 0.000 0.760 347 D N 0.094 120.172 120.400 -0.538 0.000 2.662 347 D HA -0.116 4.523 4.640 -0.001 0.000 0.237 347 D C 1.177 177.311 176.300 -0.276 0.000 1.154 347 D CA 0.609 54.431 54.000 -0.297 0.000 0.861 347 D CB 0.557 41.135 40.800 -0.371 0.000 1.146 347 D HN 0.095 nan 8.370 nan 0.000 0.518 348 K N 3.223 123.542 120.400 -0.134 0.000 2.009 348 K HA -0.233 4.086 4.320 -0.001 0.000 0.210 348 K C 1.838 178.376 176.600 -0.104 0.000 1.049 348 K CA 1.155 57.387 56.287 -0.091 0.000 0.929 348 K CB -0.122 32.376 32.500 -0.004 0.000 0.714 348 K HN 0.386 nan 8.250 nan 0.000 0.440 349 M N 1.190 120.752 119.600 -0.063 0.000 2.180 349 M HA -0.204 4.275 4.480 -0.001 0.000 0.260 349 M C 2.044 178.226 176.300 -0.196 0.000 1.071 349 M CA 1.417 56.708 55.300 -0.016 0.000 1.096 349 M CB -0.732 31.995 32.600 0.211 0.000 1.276 349 M HN 0.160 nan 8.290 nan 0.000 0.426 350 L N 0.506 121.289 121.223 -0.734 0.000 1.963 350 L HA -0.303 4.037 4.340 -0.001 0.000 0.220 350 L C 2.252 178.884 176.870 -0.397 0.000 1.076 350 L CA 2.092 56.340 54.840 -0.986 0.000 0.772 350 L CB -1.361 39.825 42.059 -1.455 0.000 0.892 350 L HN 0.466 nan 8.230 nan 0.000 0.435 351 Q N -0.126 119.469 119.800 -0.343 0.000 2.142 351 Q HA -0.246 4.094 4.340 -0.001 0.000 0.213 351 Q C 2.112 178.053 176.000 -0.099 0.000 1.004 351 Q CA 2.085 57.769 55.803 -0.199 0.000 0.883 351 Q CB -1.163 27.462 28.738 -0.189 0.000 0.939 351 Q HN 0.763 nan 8.270 nan 0.000 0.413 352 G N 0.570 109.320 108.800 -0.084 0.000 2.422 352 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.218 352 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.218 352 G C 1.483 176.412 174.900 0.050 0.000 1.140 352 G CA 0.401 45.498 45.100 -0.005 0.000 0.775 352 G HN 0.289 nan 8.290 nan 0.000 0.545 353 R N -0.228 120.277 120.500 0.008 0.000 2.189 353 R HA 0.172 4.512 4.340 -0.001 0.000 0.223 353 R C 2.299 178.687 176.300 0.147 0.000 1.092 353 R CA 0.211 56.386 56.100 0.126 0.000 0.989 353 R CB -0.327 30.012 30.300 0.066 0.000 0.876 353 R HN 0.322 nan 8.270 nan 0.000 0.457 354 L N -0.135 121.121 121.223 0.055 0.000 2.353 354 L HA -0.152 4.188 4.340 -0.001 0.000 0.220 354 L C 1.879 178.848 176.870 0.166 0.000 1.133 354 L CA 1.098 55.979 54.840 0.068 0.000 0.798 354 L CB -0.176 41.895 42.059 0.020 0.000 0.922 354 L HN 0.203 nan 8.230 nan 0.000 0.445 355 F N -0.415 119.556 119.950 0.035 0.000 2.480 355 F HA 0.165 4.692 4.527 -0.001 0.000 0.280 355 F C 2.434 178.250 175.800 0.027 0.000 1.002 355 F CA 0.764 58.781 58.000 0.028 0.000 1.325 355 F CB -0.220 38.777 39.000 -0.005 0.000 1.134 355 F HN -0.105 nan 8.300 nan 0.000 0.646 356 A N 0.831 123.541 122.820 -0.184 0.000 1.896 356 A HA -0.289 4.030 4.320 -0.001 0.000 0.220 356 A C 1.986 179.277 177.584 -0.490 0.000 1.206 356 A CA 2.434 54.210 52.037 -0.435 0.000 0.647 356 A CB -1.810 17.016 19.000 -0.290 0.000 0.828 356 A HN 0.618 nan 8.150 nan 0.000 0.455 357 Y N 0.180 120.283 120.300 -0.330 0.000 2.081 357 Y HA -0.159 4.390 4.550 -0.001 0.000 0.280 357 Y C 0.034 175.707 175.900 -0.379 0.000 1.163 357 Y CA 2.375 60.248 58.100 -0.377 0.000 1.135 357 Y CB -1.840 36.510 38.460 -0.183 0.000 0.970 357 Y HN 0.330 nan 8.280 nan 0.000 0.498 358 P HA -0.105 nan 4.420 nan 0.000 0.216 358 P C 1.021 178.250 177.300 -0.118 0.000 1.153 358 P CA 1.970 65.135 63.100 0.109 0.000 0.844 358 P CB 0.012 31.814 31.700 0.169 0.000 0.787 359 D N -1.049 119.148 120.400 -0.339 0.000 2.108 359 D HA -0.187 4.453 4.640 -0.001 0.000 0.190 359 D C 2.081 178.196 176.300 -0.308 0.000 0.995 359 D CA 1.967 55.709 54.000 -0.429 0.000 0.834 359 D CB -0.996 39.194 40.800 -1.016 0.000 0.967 359 D HN -0.035 nan 8.370 nan 0.000 0.446 360 T N -1.784 112.534 114.554 -0.393 0.000 2.759 360 T HA -0.186 4.163 4.350 -0.001 0.000 0.269 360 T C 1.688 176.242 174.700 -0.244 0.000 1.042 360 T CA 1.829 63.758 62.100 -0.286 0.000 1.140 360 T CB -0.509 68.135 68.868 -0.373 0.000 0.864 360 T HN 0.337 nan 8.240 nan 0.000 0.455 361 H N 0.308 119.150 119.070 -0.380 0.000 2.352 361 H HA 0.027 4.582 4.556 -0.001 0.000 0.299 361 H C 2.584 177.584 175.328 -0.546 0.000 1.097 361 H CA 1.265 56.915 56.048 -0.664 0.000 1.311 361 H CB 0.083 28.995 29.762 -1.416 0.000 1.377 361 H HN 0.280 nan 8.280 nan 0.000 0.504 362 R N -0.315 120.062 120.500 -0.205 0.000 2.241 362 R HA -0.153 4.187 4.340 -0.001 0.000 0.224 362 R C 1.707 178.025 176.300 0.030 0.000 1.101 362 R CA 1.330 57.439 56.100 0.015 0.000 0.995 362 R CB -0.180 30.174 30.300 0.090 0.000 0.870 362 R HN 0.525 nan 8.270 nan 0.000 0.463 363 H N 0.824 119.838 119.070 -0.094 0.000 2.297 363 H HA 0.090 4.646 4.556 -0.001 0.000 0.317 363 H C 2.168 177.462 175.328 -0.057 0.000 1.062 363 H CA 1.093 57.101 56.048 -0.067 0.000 1.431 363 H CB -0.013 29.697 29.762 -0.086 0.000 1.452 363 H HN -0.106 nan 8.280 nan 0.000 0.565 364 R N -0.209 120.096 120.500 -0.324 0.000 2.105 364 R HA -0.059 4.280 4.340 -0.001 0.000 0.239 364 R C 1.539 177.723 176.300 -0.194 0.000 1.135 364 R CA 1.954 57.867 56.100 -0.311 0.000 0.967 364 R CB -0.030 30.199 30.300 -0.118 0.000 0.861 364 R HN 0.453 nan 8.270 nan 0.000 0.442 365 L N -2.006 119.133 121.223 -0.140 0.000 2.547 365 L HA 0.380 4.720 4.340 -0.001 0.000 0.218 365 L C 0.704 177.563 176.870 -0.018 0.000 1.048 365 L CA 0.216 55.010 54.840 -0.077 0.000 0.859 365 L CB 0.834 42.849 42.059 -0.072 0.000 1.128 365 L HN 0.407 nan 8.230 nan 0.000 0.483 366 G N -0.666 108.137 108.800 0.004 0.000 2.375 366 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.663 366 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.663 366 G C -2.661 172.326 174.900 0.146 0.000 1.391 366 G CA -0.770 44.363 45.100 0.054 0.000 0.949 366 G HN -0.229 nan 8.290 nan 0.000 0.646 367 P HA -0.088 nan 4.420 nan 0.000 0.217 367 P C 1.023 178.404 177.300 0.136 0.000 1.151 367 P CA 1.287 64.469 63.100 0.138 0.000 0.849 367 P CB 0.119 31.868 31.700 0.081 0.000 0.787 368 N N -1.063 117.689 118.700 0.086 0.000 2.451 368 N HA 0.035 4.775 4.740 -0.001 0.000 0.264 368 N C 0.934 176.438 175.510 -0.010 0.000 1.167 368 N CA -0.181 52.873 53.050 0.007 0.000 0.898 368 N CB -0.448 38.036 38.487 -0.004 0.000 1.176 368 N HN 0.354 nan 8.380 nan 0.000 0.507 369 Y N -0.524 119.749 120.300 -0.046 0.000 2.256 369 Y HA -0.040 4.510 4.550 -0.001 0.000 0.288 369 Y C 1.575 177.411 175.900 -0.107 0.000 1.155 369 Y CA 0.839 58.886 58.100 -0.088 0.000 1.203 369 Y CB -0.625 37.766 38.460 -0.116 0.000 0.980 369 Y HN 0.012 nan 8.280 nan 0.000 0.530 370 L N 0.409 121.227 121.223 -0.675 0.000 2.549 370 L HA -0.105 4.234 4.340 -0.001 0.000 0.229 370 L C 1.964 178.708 176.870 -0.209 0.000 1.158 370 L CA 1.000 55.554 54.840 -0.476 0.000 0.842 370 L CB -0.527 41.229 42.059 -0.505 0.000 0.952 370 L HN 0.375 nan 8.230 nan 0.000 0.452 371 Q N -0.188 119.521 119.800 -0.151 0.000 2.360 371 Q HA 0.185 4.524 4.340 -0.001 0.000 0.202 371 Q C 0.351 176.321 176.000 -0.050 0.000 0.915 371 Q CA -0.066 55.689 55.803 -0.079 0.000 0.943 371 Q CB 0.515 29.217 28.738 -0.060 0.000 1.064 371 Q HN 0.469 nan 8.270 nan 0.000 0.511 372 I N 1.650 122.189 120.570 -0.052 0.000 2.441 372 I HA 0.021 4.190 4.170 -0.001 0.000 0.287 372 I C -1.622 174.475 176.117 -0.034 0.000 1.049 372 I CA -1.922 59.354 61.300 -0.039 0.000 1.381 372 I CB 0.874 38.846 38.000 -0.047 0.000 1.409 372 I HN -0.065 nan 8.210 nan 0.000 0.523 373 P HA -0.298 nan 4.420 nan 0.000 0.212 373 P C 1.726 179.034 177.300 0.013 0.000 1.128 373 P CA 1.856 64.933 63.100 -0.038 0.000 0.961 373 P CB -0.142 31.514 31.700 -0.073 0.000 0.782 374 V N -2.710 117.215 119.914 0.019 0.000 2.660 374 V HA -0.220 3.899 4.120 -0.001 0.000 0.257 374 V C 1.647 177.845 176.094 0.173 0.000 1.088 374 V CA 2.317 64.697 62.300 0.133 0.000 1.106 374 V CB -1.333 30.569 31.823 0.132 0.000 0.686 374 V HN 0.116 nan 8.190 nan 0.000 0.481 375 N N -0.511 118.211 118.700 0.036 0.000 2.388 375 N HA 0.084 4.823 4.740 -0.001 0.000 0.176 375 N C 0.965 176.479 175.510 0.007 0.000 1.062 375 N CA 0.837 53.856 53.050 -0.051 0.000 0.895 375 N CB 0.098 38.508 38.487 -0.129 0.000 1.018 375 N HN 0.618 nan 8.380 nan 0.000 0.456 376 C N 4.187 123.532 119.300 0.075 0.000 2.634 376 C HA 0.084 4.543 4.460 -0.001 0.000 0.417 376 C C -1.911 173.205 174.990 0.209 0.000 1.334 376 C CA -0.886 58.187 59.018 0.091 0.000 1.829 376 C CB 0.064 27.858 27.740 0.091 0.000 2.665 376 C HN 0.237 nan 8.230 nan 0.000 0.614 377 P HA 0.159 nan 4.420 nan 0.000 0.219 377 P C -0.093 177.262 177.300 0.092 0.000 1.832 377 P CA -0.036 63.111 63.100 0.078 0.000 1.014 377 P CB -0.696 31.000 31.700 -0.008 0.000 1.939 378 Y N 0.610 120.972 120.300 0.103 0.000 2.421 378 Y HA 0.033 4.582 4.550 -0.001 0.000 0.292 378 Y C 1.630 177.544 175.900 0.023 0.000 1.136 378 Y CA 0.620 58.736 58.100 0.027 0.000 1.255 378 Y CB -0.565 37.877 38.460 -0.029 0.000 0.991 378 Y HN -0.078 nan 8.280 nan 0.000 0.552 379 R N 1.230 121.513 120.500 -0.361 0.000 2.313 379 R HA 0.374 4.713 4.340 -0.001 0.000 0.199 379 R C 0.128 176.386 176.300 -0.070 0.000 0.958 379 R CA 0.579 56.556 56.100 -0.204 0.000 1.047 379 R CB 0.008 30.132 30.300 -0.293 0.000 0.955 379 R HN 0.466 nan 8.270 nan 0.000 0.481 380 A N 0.854 123.649 122.820 -0.043 0.000 2.387 380 A HA 0.637 4.956 4.320 -0.001 0.000 0.298 380 A C -0.733 176.848 177.584 -0.005 0.000 1.165 380 A CA -0.718 51.306 52.037 -0.022 0.000 0.814 380 A CB 1.265 20.248 19.000 -0.028 0.000 1.357 380 A HN 0.118 nan 8.150 nan 0.000 0.443 381 R N 0.523 121.015 120.500 -0.014 0.000 2.335 381 R HA 0.493 4.833 4.340 -0.001 0.000 0.302 381 R C -1.662 174.619 176.300 -0.032 0.000 1.147 381 R CA -0.192 55.898 56.100 -0.017 0.000 1.111 381 R CB 0.165 30.454 30.300 -0.019 0.000 1.122 381 R HN 0.415 nan 8.270 nan 0.000 0.557 382 V N 3.479 123.373 119.914 -0.032 0.000 2.485 382 V HA 0.512 4.631 4.120 -0.001 0.000 0.287 382 V C 0.129 176.181 176.094 -0.070 0.000 1.022 382 V CA 0.597 62.867 62.300 -0.050 0.000 1.067 382 V CB 0.747 32.541 31.823 -0.048 0.000 0.967 382 V HN 0.864 nan 8.190 nan 0.000 0.479 383 A N 5.234 127.998 122.820 -0.093 0.000 2.456 383 A HA 0.828 5.148 4.320 -0.001 0.000 0.288 383 A C -0.521 176.947 177.584 -0.193 0.000 1.042 383 A CA -0.642 51.311 52.037 -0.140 0.000 0.738 383 A CB 1.478 20.401 19.000 -0.129 0.000 1.266 383 A HN 0.953 nan 8.150 nan 0.000 0.407 384 N N -0.110 118.426 118.700 -0.273 0.000 3.622 384 N HA 0.343 5.083 4.740 -0.001 0.000 0.352 384 N C -0.830 174.352 175.510 -0.546 0.000 1.559 384 N CA -0.508 52.340 53.050 -0.337 0.000 0.801 384 N CB 0.203 38.622 38.487 -0.113 0.000 2.399 384 N HN 0.275 nan 8.380 nan 0.000 0.545 385 Y N -0.614 119.655 120.300 -0.052 0.000 2.696 385 Y HA 0.444 4.994 4.550 -0.000 0.000 0.260 385 Y C -0.137 175.765 175.900 0.004 0.000 1.165 385 Y CA -0.411 57.679 58.100 -0.016 0.000 1.189 385 Y CB 0.455 38.916 38.460 0.001 0.000 1.180 385 Y HN 0.225 nan 8.280 nan 0.000 0.538 386 Q N 1.410 121.248 119.800 0.064 0.000 2.243 386 Q HA 0.551 4.890 4.340 -0.001 0.000 0.252 386 Q C -0.222 175.793 176.000 0.025 0.000 0.909 386 Q CA -0.517 55.316 55.803 0.049 0.000 0.922 386 Q CB 1.315 30.065 28.738 0.020 0.000 1.215 386 Q HN 0.144 nan 8.270 nan 0.000 0.427 387 R N 1.971 122.493 120.500 0.036 0.000 2.739 387 R HA 0.341 4.680 4.340 -0.001 0.000 0.271 387 R C -0.764 175.551 176.300 0.025 0.000 1.010 387 R CA -0.617 55.498 56.100 0.025 0.000 0.897 387 R CB 1.426 31.748 30.300 0.036 0.000 1.236 387 R HN 0.755 nan 8.270 nan 0.000 0.466 388 D N -0.021 120.388 120.400 0.016 0.000 3.507 388 D HA -0.210 4.429 4.640 -0.001 0.000 0.195 388 D C 0.409 176.720 176.300 0.018 0.000 1.323 388 D CA 1.969 55.980 54.000 0.017 0.000 1.106 388 D CB -1.105 39.708 40.800 0.023 0.000 0.619 388 D HN 0.929 nan 8.370 nan 0.000 0.732 389 G N -0.687 108.127 108.800 0.023 0.000 2.690 389 G HA2 0.160 4.119 3.960 -0.001 0.000 0.686 389 G HA3 0.160 4.119 3.960 -0.001 0.000 0.686 389 G C -2.811 172.102 174.900 0.023 0.000 1.277 389 G CA -0.275 44.841 45.100 0.026 0.000 0.799 389 G HN 0.556 nan 8.290 nan 0.000 0.613 390 P HA 0.293 nan 4.420 nan 0.000 0.269 390 P C 0.876 178.188 177.300 0.020 0.000 1.215 390 P CA 0.215 63.328 63.100 0.022 0.000 0.780 390 P CB 0.513 32.227 31.700 0.024 0.000 0.898 391 M N -1.590 118.020 119.600 0.017 0.000 2.393 391 M HA -0.164 4.315 4.480 -0.001 0.000 0.201 391 M C 0.018 176.325 176.300 0.011 0.000 0.403 391 M CA 0.155 55.464 55.300 0.016 0.000 0.471 391 M CB -2.704 29.908 32.600 0.020 0.000 1.669 391 M HN 0.481 nan 8.290 nan 0.000 0.864 392 C N 2.519 121.824 119.300 0.008 0.000 2.667 392 C HA 0.206 4.666 4.460 -0.001 0.000 0.392 392 C C 1.286 176.275 174.990 -0.002 0.000 1.332 392 C CA -0.483 58.536 59.018 0.002 0.000 1.594 392 C CB -0.495 27.247 27.740 0.003 0.000 2.345 392 C HN 0.483 nan 8.230 nan 0.000 0.594 393 M N 6.593 126.189 119.600 -0.007 0.000 1.921 393 M HA 0.419 4.898 4.480 -0.001 0.000 0.243 393 M C 0.990 177.282 176.300 -0.014 0.000 1.280 393 M CA 0.063 55.358 55.300 -0.009 0.000 0.988 393 M CB 0.143 32.735 32.600 -0.013 0.000 1.336 393 M HN 0.746 nan 8.290 nan 0.000 0.496 394 M N -0.247 119.345 119.600 -0.015 0.000 7.319 394 M HA -0.308 4.171 4.480 -0.001 0.000 0.133 394 M C 0.286 176.577 176.300 -0.014 0.000 0.480 394 M CA 1.272 56.562 55.300 -0.017 0.000 1.311 394 M CB -1.837 30.750 32.600 -0.022 0.000 0.421 394 M HN 0.775 nan 8.290 nan 0.000 0.169 395 D N 0.050 120.440 120.400 -0.016 0.000 2.398 395 D HA 0.185 4.824 4.640 -0.001 0.000 0.210 395 D C 0.497 176.788 176.300 -0.015 0.000 1.094 395 D CA 0.847 54.838 54.000 -0.014 0.000 0.839 395 D CB -0.011 40.780 40.800 -0.015 0.000 0.963 395 D HN 0.597 nan 8.370 nan 0.000 0.506 396 N N 1.314 120.003 118.700 -0.019 0.000 2.776 396 N HA -0.263 4.477 4.740 -0.001 0.000 0.250 396 N C -0.671 174.823 175.510 -0.027 0.000 1.112 396 N CA 1.281 54.320 53.050 -0.019 0.000 0.733 396 N CB -1.342 37.139 38.487 -0.009 0.000 1.097 396 N HN 0.324 nan 8.380 nan 0.000 0.558 397 Q N -3.540 116.239 119.800 -0.035 0.000 2.493 397 Q HA -0.182 4.157 4.340 -0.001 0.000 0.260 397 Q C 1.060 177.037 176.000 -0.037 0.000 0.905 397 Q CA 1.082 56.856 55.803 -0.048 0.000 1.140 397 Q CB -1.891 26.803 28.738 -0.073 0.000 1.435 397 Q HN 1.076 nan 8.270 nan 0.000 0.581 398 G N -0.273 108.512 108.800 -0.024 0.000 2.602 398 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.306 398 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.306 398 G C 0.628 175.520 174.900 -0.013 0.000 1.301 398 G CA 0.514 45.604 45.100 -0.017 0.000 0.974 398 G HN 0.883 nan 8.290 nan 0.000 0.547 399 G N 0.617 109.411 108.800 -0.010 0.000 3.124 399 G HA2 0.582 4.542 3.960 -0.001 0.000 0.212 399 G HA3 0.582 4.542 3.960 -0.001 0.000 0.212 399 G C 0.840 175.736 174.900 -0.008 0.000 1.181 399 G CA 1.251 46.347 45.100 -0.007 0.000 0.803 399 G HN 1.779 nan 8.290 nan 0.000 0.529 400 A N 0.888 123.698 122.820 -0.017 0.000 2.520 400 A HA 0.484 4.803 4.320 -0.001 0.000 0.235 400 A C -1.861 175.719 177.584 -0.005 0.000 1.065 400 A CA -0.705 51.318 52.037 -0.024 0.000 0.764 400 A CB 0.098 19.059 19.000 -0.065 0.000 1.002 400 A HN 0.199 nan 8.150 nan 0.000 0.502 401 P HA 0.074 nan 4.420 nan 0.000 0.265 401 P C 0.088 177.441 177.300 0.089 0.000 1.193 401 P CA 0.311 63.428 63.100 0.028 0.000 0.765 401 P CB 0.289 31.967 31.700 -0.036 0.000 0.823 402 N N 1.085 119.913 118.700 0.214 0.000 2.187 402 N HA 0.054 4.793 4.740 -0.001 0.000 0.212 402 N C -0.585 175.189 175.510 0.440 0.000 1.152 402 N CA -0.537 52.708 53.050 0.324 0.000 0.872 402 N CB -0.025 38.599 38.487 0.227 0.000 1.025 402 N HN 0.353 nan 8.380 nan 0.000 0.514 403 Y N -1.496 118.960 120.300 0.260 0.000 2.409 403 Y HA 0.607 5.156 4.550 -0.001 0.000 0.343 403 Y C -1.424 174.388 175.900 -0.147 0.000 0.973 403 Y CA -2.171 55.957 58.100 0.046 0.000 1.064 403 Y CB 0.520 39.003 38.460 0.037 0.000 1.207 403 Y HN 0.001 nan 8.280 nan 0.000 0.452 404 Y N 5.436 125.372 120.300 -0.607 0.000 2.391 404 Y HA 0.735 5.285 4.550 0.000 0.000 0.341 404 Y C -2.574 173.179 175.900 -0.244 0.000 0.965 404 Y CA -2.680 54.997 58.100 -0.706 0.000 1.067 404 Y CB 1.685 39.378 38.460 -1.277 0.000 1.199 404 Y HN 0.760 nan 8.280 nan 0.000 0.450 405 P HA 0.331 nan 4.420 nan 0.000 0.276 405 P C -1.770 175.428 177.300 -0.170 0.000 1.244 405 P CA -0.361 62.388 63.100 -0.585 0.000 0.801 405 P CB 1.548 32.924 31.700 -0.540 0.000 1.006 406 N N -1.911 116.723 118.700 -0.110 0.000 2.732 406 N HA 0.366 5.105 4.740 -0.001 0.000 0.259 406 N C -1.115 174.447 175.510 0.085 0.000 1.402 406 N CA -0.901 52.155 53.050 0.011 0.000 0.829 406 N CB 0.917 39.152 38.487 -0.420 0.000 1.495 406 N HN 0.084 nan 8.380 nan 0.000 0.511 407 S N 0.053 115.851 115.700 0.162 0.000 2.457 407 S HA 0.382 4.851 4.470 -0.001 0.000 0.237 407 S C -1.056 173.248 174.600 -0.493 0.000 1.213 407 S CA -0.425 57.685 58.200 -0.151 0.000 1.218 407 S CB -0.976 62.073 63.200 -0.252 0.000 0.922 407 S HN 0.525 nan 8.310 nan 0.000 0.488 408 F N 0.642 120.610 119.950 0.029 0.000 2.837 408 F HA 0.257 4.783 4.527 -0.002 0.000 0.328 408 F C 0.867 176.678 175.800 0.018 0.000 1.173 408 F CA -0.529 57.490 58.000 0.032 0.000 1.160 408 F CB 0.156 39.187 39.000 0.052 0.000 1.115 408 F HN 0.154 nan 8.300 nan 0.000 0.512 409 S N 0.440 116.202 115.700 0.104 0.000 3.672 409 S HA -0.138 4.331 4.470 -0.001 0.000 0.319 409 S C 0.558 175.203 174.600 0.075 0.000 1.151 409 S CA 0.209 58.451 58.200 0.070 0.000 0.911 409 S CB -1.746 61.482 63.200 0.046 0.000 0.939 409 S HN 0.576 nan 8.310 nan 0.000 0.524 410 A N 1.212 124.098 122.820 0.110 0.000 2.280 410 A HA 0.652 4.972 4.320 -0.001 0.000 0.268 410 A C -2.056 175.566 177.584 0.063 0.000 1.111 410 A CA -1.453 50.623 52.037 0.065 0.000 0.814 410 A CB -0.387 18.690 19.000 0.128 0.000 1.093 410 A HN 0.212 nan 8.150 nan 0.000 0.498 411 P HA 0.001 nan 4.420 nan 0.000 0.257 411 P C -0.448 176.900 177.300 0.081 0.000 1.162 411 P CA 0.841 63.897 63.100 -0.074 0.000 0.762 411 P CB 0.202 31.739 31.700 -0.272 0.000 0.753 412 E N 2.381 122.598 120.200 0.030 0.000 2.250 412 E HA 0.231 4.580 4.350 -0.001 0.000 0.269 412 E C 0.305 176.871 176.600 -0.056 0.000 1.018 412 E CA -0.604 55.805 56.400 0.015 0.000 0.873 412 E CB 0.800 30.465 29.700 -0.060 0.000 1.134 412 E HN 0.600 nan 8.360 nan 0.000 0.403 413 H N -0.752 118.372 119.070 0.089 0.000 2.500 413 H HA 0.297 4.852 4.556 -0.001 0.000 0.351 413 H C -0.356 174.995 175.328 0.039 0.000 1.281 413 H CA -0.823 55.247 56.048 0.037 0.000 1.368 413 H CB 0.792 30.588 29.762 0.057 0.000 1.616 413 H HN 0.135 nan 8.280 nan 0.000 0.591 414 Q N 1.832 121.782 119.800 0.249 0.000 2.413 414 Q HA 0.218 4.557 4.340 -0.001 0.000 0.258 414 Q C -2.112 174.031 176.000 0.238 0.000 1.037 414 Q CA -2.511 53.396 55.803 0.173 0.000 0.764 414 Q CB 1.416 30.198 28.738 0.073 0.000 1.217 414 Q HN 0.666 nan 8.270 nan 0.000 0.490 415 P HA -0.119 nan 4.420 nan 0.000 0.221 415 P C 1.094 178.443 177.300 0.083 0.000 1.145 415 P CA 0.789 63.985 63.100 0.160 0.000 0.795 415 P CB 0.429 32.227 31.700 0.163 0.000 0.775 416 S N 0.123 115.867 115.700 0.074 0.000 2.382 416 S HA -0.080 4.389 4.470 -0.001 0.000 0.228 416 S C 1.885 176.508 174.600 0.039 0.000 1.027 416 S CA 1.090 59.317 58.200 0.045 0.000 0.991 416 S CB -0.751 62.469 63.200 0.035 0.000 0.823 416 S HN 0.196 nan 8.310 nan 0.000 0.469 417 A N 0.632 123.480 122.820 0.045 0.000 2.259 417 A HA 0.379 4.698 4.320 -0.001 0.000 0.208 417 A C 0.648 178.252 177.584 0.033 0.000 1.201 417 A CA -0.228 51.829 52.037 0.034 0.000 0.824 417 A CB -0.381 18.638 19.000 0.031 0.000 0.838 417 A HN 0.550 nan 8.150 nan 0.000 0.485 418 L N 1.531 122.773 121.223 0.033 0.000 2.513 418 L HA 0.058 4.397 4.340 -0.001 0.000 0.272 418 L C 0.116 177.007 176.870 0.034 0.000 1.187 418 L CA -0.339 54.513 54.840 0.021 0.000 0.895 418 L CB 0.468 42.530 42.059 0.006 0.000 1.147 418 L HN 0.456 nan 8.230 nan 0.000 0.483 419 E N 2.975 123.200 120.200 0.041 0.000 2.438 419 E HA -0.068 4.281 4.350 -0.001 0.000 0.261 419 E C -0.022 176.635 176.600 0.095 0.000 1.103 419 E CA 0.070 56.515 56.400 0.076 0.000 0.959 419 E CB 0.231 29.975 29.700 0.074 0.000 0.958 419 E HN 0.386 nan 8.360 nan 0.000 0.447 420 H N 2.725 121.822 119.070 0.044 0.000 2.848 420 H HA 0.082 4.637 4.556 -0.001 0.000 0.317 420 H C -0.540 174.820 175.328 0.053 0.000 1.046 420 H CA -0.173 55.899 56.048 0.040 0.000 1.470 420 H CB 0.397 30.192 29.762 0.054 0.000 1.483 420 H HN 0.379 nan 8.280 nan 0.000 0.548 421 R N 4.111 124.368 120.500 -0.405 0.000 2.221 421 R HA 0.245 4.585 4.340 -0.001 0.000 0.327 421 R C -0.390 175.766 176.300 -0.240 0.000 1.033 421 R CA -0.567 55.408 56.100 -0.209 0.000 0.887 421 R CB 0.735 30.945 30.300 -0.150 0.000 1.057 421 R HN 0.477 nan 8.270 nan 0.000 0.455 422 T N 2.588 117.186 114.554 0.074 0.000 2.779 422 T HA 0.095 4.444 4.350 -0.001 0.000 0.280 422 T C -0.540 174.198 174.700 0.064 0.000 0.987 422 T CA -0.603 61.565 62.100 0.113 0.000 0.966 422 T CB 0.839 69.896 68.868 0.315 0.000 0.933 422 T HN 0.417 nan 8.240 nan 0.000 0.442 423 H N 3.207 122.194 119.070 -0.138 0.000 2.610 423 H HA 0.415 4.971 4.556 -0.001 0.000 0.336 423 H C -1.334 173.842 175.328 -0.254 0.000 1.087 423 H CA -0.420 55.573 56.048 -0.091 0.000 1.405 423 H CB 0.204 29.918 29.762 -0.080 0.000 1.460 423 H HN 0.446 nan 8.280 nan 0.000 0.538 424 F N 1.552 121.556 119.950 0.089 0.000 2.576 424 F HA 0.320 4.846 4.527 -0.002 0.000 0.313 424 F C 0.084 175.964 175.800 0.133 0.000 1.078 424 F CA -0.467 57.634 58.000 0.169 0.000 0.921 424 F CB 2.276 41.314 39.000 0.063 0.000 1.232 424 F HN 0.438 nan 8.300 nan 0.000 0.459 425 S N 1.281 117.211 115.700 0.383 0.000 2.564 425 S HA 0.901 5.370 4.470 -0.001 0.000 0.274 425 S C -0.706 174.015 174.600 0.201 0.000 1.124 425 S CA 0.078 58.438 58.200 0.266 0.000 0.869 425 S CB 1.743 65.104 63.200 0.268 0.000 1.105 425 S HN 1.504 nan 8.310 nan 0.000 0.472 426 G N 2.683 111.578 108.800 0.159 0.000 2.348 426 G HA2 0.181 4.140 3.960 -0.001 0.000 0.606 426 G HA3 0.181 4.140 3.960 -0.001 0.000 0.606 426 G C -1.445 173.572 174.900 0.194 0.000 1.466 426 G CA -0.887 44.298 45.100 0.142 0.000 0.950 426 G HN 0.799 nan 8.290 nan 0.000 0.657 427 D N -1.122 119.426 120.400 0.248 0.000 2.419 427 D HA 0.321 4.961 4.640 -0.001 0.000 0.236 427 D C 0.769 177.257 176.300 0.314 0.000 1.165 427 D CA 0.456 54.608 54.000 0.252 0.000 0.882 427 D CB 1.138 42.092 40.800 0.255 0.000 1.201 427 D HN 0.398 nan 8.370 nan 0.000 0.443 428 V N 4.368 124.357 119.914 0.124 0.000 2.334 428 V HA 0.320 4.439 4.120 -0.001 0.000 0.267 428 V C 0.269 176.289 176.094 -0.123 0.000 1.040 428 V CA 0.064 62.390 62.300 0.043 0.000 0.866 428 V CB 0.105 31.934 31.823 0.011 0.000 1.019 428 V HN 0.604 nan 8.190 nan 0.000 0.468 429 Q N 4.158 123.736 119.800 -0.370 0.000 2.782 429 Q HA 0.517 4.857 4.340 -0.001 0.000 0.308 429 Q C -1.101 174.467 176.000 -0.721 0.000 0.883 429 Q CA -1.225 54.249 55.803 -0.548 0.000 0.755 429 Q CB 1.712 30.091 28.738 -0.599 0.000 1.454 429 Q HN 0.459 nan 8.270 nan 0.000 0.452 430 R N 0.985 121.193 120.500 -0.487 0.000 2.891 430 R HA 0.285 4.624 4.340 -0.001 0.000 0.248 430 R C -0.956 175.169 176.300 -0.291 0.000 1.439 430 R CA -0.192 55.729 56.100 -0.298 0.000 1.288 430 R CB -0.390 29.821 30.300 -0.149 0.000 1.212 430 R HN 0.246 nan 8.270 nan 0.000 0.605 431 F N 1.544 121.503 119.950 0.016 0.000 2.541 431 F HA -0.006 4.520 4.527 -0.002 0.000 0.378 431 F C 1.376 177.195 175.800 0.033 0.000 1.068 431 F CA -0.297 57.719 58.000 0.027 0.000 1.199 431 F CB 0.077 39.098 39.000 0.034 0.000 1.091 431 F HN 0.385 nan 8.300 nan 0.000 0.555 432 N N 1.460 120.272 118.700 0.185 0.000 2.468 432 N HA 0.027 4.766 4.740 -0.001 0.000 0.265 432 N C 0.390 175.982 175.510 0.136 0.000 1.199 432 N CA 0.060 53.184 53.050 0.125 0.000 0.928 432 N CB 0.522 39.064 38.487 0.092 0.000 1.059 432 N HN 0.684 nan 8.380 nan 0.000 0.467 433 S N 1.916 117.686 115.700 0.116 0.000 2.650 433 S HA 0.191 4.660 4.470 -0.001 0.000 0.240 433 S C 1.273 175.927 174.600 0.089 0.000 1.007 433 S CA -0.326 57.940 58.200 0.111 0.000 0.984 433 S CB 0.730 64.001 63.200 0.119 0.000 0.910 433 S HN 0.606 nan 8.310 nan 0.000 0.509 434 A N 2.007 124.870 122.820 0.073 0.000 2.216 434 A HA 0.121 4.441 4.320 -0.001 0.000 0.214 434 A C 0.529 178.142 177.584 0.047 0.000 1.160 434 A CA 0.420 52.489 52.037 0.052 0.000 0.725 434 A CB -0.530 18.492 19.000 0.038 0.000 0.784 434 A HN 0.710 nan 8.150 nan 0.000 0.472 435 N N 0.121 118.857 118.700 0.060 0.000 2.664 435 N HA 0.426 5.165 4.740 -0.001 0.000 0.257 435 N C -1.763 173.794 175.510 0.078 0.000 1.108 435 N CA -0.309 52.776 53.050 0.058 0.000 0.822 435 N CB 1.107 39.624 38.487 0.050 0.000 1.199 435 N HN 0.065 nan 8.380 nan 0.000 0.529 436 D N 0.700 121.154 120.400 0.090 0.000 2.914 436 D HA 0.074 4.714 4.640 -0.001 0.000 0.349 436 D C -1.383 175.014 176.300 0.162 0.000 1.540 436 D CA -0.056 54.021 54.000 0.128 0.000 0.778 436 D CB 0.321 41.200 40.800 0.131 0.000 1.213 436 D HN 0.325 nan 8.370 nan 0.000 0.451 437 D N 1.190 121.669 120.400 0.132 0.000 5.989 437 D HA -0.144 4.496 4.640 -0.001 0.000 0.236 437 D C -0.726 175.618 176.300 0.073 0.000 1.693 437 D CA 0.345 54.432 54.000 0.145 0.000 1.470 437 D CB -0.345 40.657 40.800 0.335 0.000 0.653 437 D HN 0.196 nan 8.370 nan 0.000 0.358 438 N N 2.236 120.957 118.700 0.034 0.000 2.351 438 N HA 0.227 4.967 4.740 -0.001 0.000 0.254 438 N C 1.030 176.527 175.510 -0.023 0.000 1.241 438 N CA 0.452 53.498 53.050 -0.007 0.000 0.883 438 N CB 1.016 39.494 38.487 -0.015 0.000 1.202 438 N HN 0.337 nan 8.380 nan 0.000 0.512 439 V N -6.071 113.842 119.914 -0.002 0.000 3.110 439 V HA 0.184 4.303 4.120 -0.001 0.000 0.233 439 V C 1.622 177.735 176.094 0.031 0.000 1.550 439 V CA 0.283 62.588 62.300 0.008 0.000 1.186 439 V CB -0.078 31.760 31.823 0.025 0.000 1.052 439 V HN -0.034 nan 8.190 nan 0.000 0.452 440 T N 1.272 115.874 114.554 0.080 0.000 2.469 440 T HA -0.303 4.047 4.350 -0.001 0.000 0.254 440 T C 1.871 176.613 174.700 0.070 0.000 1.214 440 T CA 3.196 65.374 62.100 0.130 0.000 1.202 440 T CB -0.589 68.455 68.868 0.294 0.000 0.864 440 T HN 0.649 nan 8.240 nan 0.000 0.408 441 Q N 0.172 119.959 119.800 -0.021 0.000 2.118 441 Q HA -0.165 4.174 4.340 -0.001 0.000 0.211 441 Q C 2.543 178.419 176.000 -0.206 0.000 0.998 441 Q CA 1.865 57.566 55.803 -0.169 0.000 0.872 441 Q CB -0.854 27.595 28.738 -0.482 0.000 0.925 441 Q HN 0.406 nan 8.270 nan 0.000 0.414 442 V N 0.898 120.615 119.914 -0.328 0.000 2.282 442 V HA -0.322 3.797 4.120 -0.001 0.000 0.249 442 V C 2.370 178.601 176.094 0.229 0.000 1.057 442 V CA 2.318 64.594 62.300 -0.040 0.000 1.032 442 V CB -0.731 31.102 31.823 0.017 0.000 0.645 442 V HN 0.352 nan 8.190 nan 0.000 0.447 443 R N -0.039 120.573 120.500 0.186 0.000 2.105 443 R HA -0.168 4.171 4.340 -0.001 0.000 0.239 443 R C 2.116 178.567 176.300 0.253 0.000 1.135 443 R CA 1.943 58.196 56.100 0.255 0.000 0.967 443 R CB -0.396 30.027 30.300 0.204 0.000 0.861 443 R HN 0.582 nan 8.270 nan 0.000 0.442 444 T N 0.295 114.975 114.554 0.212 0.000 3.113 444 T HA -0.067 4.282 4.350 -0.001 0.000 0.263 444 T C 0.806 175.666 174.700 0.266 0.000 1.143 444 T CA 0.591 62.811 62.100 0.199 0.000 1.090 444 T CB -0.135 68.838 68.868 0.175 0.000 0.922 444 T HN 0.190 nan 8.240 nan 0.000 0.521 445 F N 0.580 120.616 119.950 0.144 0.000 2.202 445 F HA 0.188 4.715 4.527 -0.001 0.000 0.279 445 F C 1.984 177.854 175.800 0.117 0.000 1.077 445 F CA -0.396 57.692 58.000 0.147 0.000 1.193 445 F CB -0.874 38.261 39.000 0.225 0.000 1.090 445 F HN 0.041 nan 8.300 nan 0.000 0.516 446 Y N 1.098 121.410 120.300 0.020 0.000 2.173 446 Y HA -0.288 4.261 4.550 -0.001 0.000 0.282 446 Y C 1.831 177.587 175.900 -0.240 0.000 1.192 446 Y CA 2.313 60.288 58.100 -0.209 0.000 1.176 446 Y CB -0.502 37.902 38.460 -0.092 0.000 0.969 446 Y HN 0.170 nan 8.280 nan 0.000 0.519 447 L N -1.470 119.702 121.223 -0.084 0.000 2.296 447 L HA 0.009 4.348 4.340 -0.001 0.000 0.193 447 L C 2.321 179.110 176.870 -0.135 0.000 1.123 447 L CA 0.830 55.570 54.840 -0.167 0.000 0.805 447 L CB -0.604 41.447 42.059 -0.013 0.000 1.004 447 L HN -0.097 nan 8.230 nan 0.000 0.478 448 K N 0.499 120.878 120.400 -0.035 0.000 1.965 448 K HA -0.084 4.235 4.320 -0.001 0.000 0.214 448 K C 1.831 178.398 176.600 -0.056 0.000 1.042 448 K CA 1.573 57.845 56.287 -0.024 0.000 0.950 448 K CB -0.594 31.930 32.500 0.040 0.000 0.733 448 K HN -0.020 nan 8.250 nan 0.000 0.441 449 V N 0.773 120.685 119.914 -0.003 0.000 2.380 449 V HA -0.159 3.960 4.120 -0.001 0.000 0.251 449 V C 1.090 177.050 176.094 -0.224 0.000 1.063 449 V CA 0.974 63.264 62.300 -0.018 0.000 1.055 449 V CB -0.526 31.450 31.823 0.255 0.000 0.657 449 V HN 0.181 nan 8.190 nan 0.000 0.455 450 L N 1.774 122.739 121.223 -0.431 0.000 2.312 450 L HA 0.367 4.707 4.340 -0.001 0.000 0.281 450 L C 0.276 176.932 176.870 -0.355 0.000 1.070 450 L CA -0.073 54.465 54.840 -0.504 0.000 0.805 450 L CB 0.998 42.616 42.059 -0.735 0.000 1.174 450 L HN 0.446 nan 8.230 nan 0.000 0.434 451 N N 1.877 120.405 118.700 -0.286 0.000 2.447 451 N HA 0.037 4.776 4.740 -0.001 0.000 0.271 451 N C 0.641 175.995 175.510 -0.260 0.000 1.226 451 N CA -0.301 52.611 53.050 -0.229 0.000 0.980 451 N CB 0.691 39.082 38.487 -0.159 0.000 1.206 451 N HN 0.577 nan 8.380 nan 0.000 0.558 452 E N 0.386 120.456 120.200 -0.216 0.000 2.070 452 E HA -0.226 4.123 4.350 -0.001 0.000 0.197 452 E C 1.119 177.609 176.600 -0.182 0.000 1.004 452 E CA 1.689 57.962 56.400 -0.213 0.000 0.805 452 E CB -0.184 29.423 29.700 -0.155 0.000 0.744 452 E HN 0.671 nan 8.360 nan 0.000 0.451 453 E N 0.433 120.549 120.200 -0.141 0.000 2.005 453 E HA -0.207 4.142 4.350 -0.001 0.000 0.198 453 E C 2.215 178.746 176.600 -0.115 0.000 1.010 453 E CA 1.738 58.073 56.400 -0.109 0.000 0.825 453 E CB -0.380 29.276 29.700 -0.073 0.000 0.769 453 E HN 0.348 nan 8.360 nan 0.000 0.456 454 Q N -0.126 119.595 119.800 -0.132 0.000 2.077 454 Q HA -0.238 4.101 4.340 -0.001 0.000 0.206 454 Q C 2.379 178.289 176.000 -0.151 0.000 0.989 454 Q CA 1.636 57.362 55.803 -0.127 0.000 0.853 454 Q CB -0.215 28.404 28.738 -0.199 0.000 0.907 454 Q HN 0.139 nan 8.270 nan 0.000 0.418 455 R N 0.943 121.300 120.500 -0.239 0.000 2.133 455 R HA -0.232 4.107 4.340 -0.001 0.000 0.247 455 R C 2.268 178.463 176.300 -0.175 0.000 1.151 455 R CA 1.899 57.823 56.100 -0.294 0.000 0.971 455 R CB -0.126 29.873 30.300 -0.502 0.000 0.866 455 R HN 0.107 nan 8.270 nan 0.000 0.447 456 K N 0.250 120.566 120.400 -0.139 0.000 2.057 456 K HA -0.193 4.127 4.320 -0.001 0.000 0.207 456 K C 2.020 178.600 176.600 -0.033 0.000 1.049 456 K CA 1.597 57.836 56.287 -0.079 0.000 0.931 456 K CB -0.013 32.445 32.500 -0.070 0.000 0.714 456 K HN 0.186 nan 8.250 nan 0.000 0.440 457 R N 0.349 120.836 120.500 -0.021 0.000 2.075 457 R HA -0.067 4.272 4.340 -0.001 0.000 0.226 457 R C 2.438 178.778 176.300 0.067 0.000 1.114 457 R CA 0.928 57.046 56.100 0.030 0.000 0.972 457 R CB -0.515 29.803 30.300 0.031 0.000 0.869 457 R HN 0.193 nan 8.270 nan 0.000 0.437 458 L N 1.158 122.406 121.223 0.040 0.000 2.010 458 L HA -0.314 4.025 4.340 -0.001 0.000 0.219 458 L C 2.049 178.959 176.870 0.066 0.000 1.077 458 L CA 1.842 56.736 54.840 0.091 0.000 0.773 458 L CB -0.943 41.128 42.059 0.020 0.000 0.892 458 L HN 0.185 nan 8.230 nan 0.000 0.436 459 C N -0.025 119.262 119.300 -0.022 0.000 2.436 459 C HA -0.152 4.307 4.460 -0.001 0.000 0.277 459 C C 2.565 177.577 174.990 0.038 0.000 1.241 459 C CA 1.125 60.116 59.018 -0.045 0.000 1.721 459 C CB -1.131 26.581 27.740 -0.046 0.000 2.043 459 C HN 0.653 nan 8.230 nan 0.000 0.472 460 E N 0.808 121.057 120.200 0.080 0.000 2.097 460 E HA -0.223 4.126 4.350 -0.001 0.000 0.196 460 E C 1.728 178.455 176.600 0.212 0.000 1.000 460 E CA 1.506 57.994 56.400 0.147 0.000 0.804 460 E CB -0.416 29.355 29.700 0.119 0.000 0.740 460 E HN 0.720 nan 8.360 nan 0.000 0.454 461 N N 0.405 119.250 118.700 0.242 0.000 2.142 461 N HA -0.110 4.629 4.740 -0.001 0.000 0.186 461 N C 1.957 177.819 175.510 0.587 0.000 1.023 461 N CA 0.695 53.989 53.050 0.407 0.000 0.852 461 N CB -0.011 38.752 38.487 0.460 0.000 0.998 461 N HN 0.086 nan 8.380 nan 0.000 0.424 462 I N 1.185 121.922 120.570 0.279 0.000 2.133 462 I HA -0.222 3.948 4.170 -0.001 0.000 0.238 462 I C 2.557 178.639 176.117 -0.057 0.000 1.074 462 I CA 0.775 61.954 61.300 -0.201 0.000 1.342 462 I CB -0.410 37.298 38.000 -0.486 0.000 1.053 462 I HN 0.132 nan 8.210 nan 0.000 0.404 463 A N 1.038 123.832 122.820 -0.043 0.000 1.892 463 A HA -0.217 4.103 4.320 -0.001 0.000 0.218 463 A C 2.417 179.890 177.584 -0.185 0.000 1.188 463 A CA 2.156 54.165 52.037 -0.047 0.000 0.631 463 A CB -1.648 17.450 19.000 0.164 0.000 0.822 463 A HN 0.506 nan 8.150 nan 0.000 0.447 464 G N -1.650 107.100 108.800 -0.084 0.000 2.475 464 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.220 464 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.220 464 G C 1.641 176.467 174.900 -0.123 0.000 1.125 464 G CA 1.492 46.426 45.100 -0.276 0.000 0.755 464 G HN 0.713 nan 8.290 nan 0.000 0.565 465 H N -0.068 119.058 119.070 0.094 0.000 2.300 465 H HA 0.099 4.654 4.556 -0.001 0.000 0.312 465 H C 2.404 177.864 175.328 0.220 0.000 1.057 465 H CA 0.981 57.212 56.048 0.304 0.000 1.380 465 H CB -0.493 29.722 29.762 0.755 0.000 1.424 465 H HN 0.161 nan 8.280 nan 0.000 0.534 466 L N 2.815 124.192 121.223 0.257 0.000 2.450 466 L HA -0.159 4.180 4.340 -0.001 0.000 0.225 466 L C 1.906 178.635 176.870 -0.236 0.000 1.145 466 L CA 1.784 56.348 54.840 -0.461 0.000 0.801 466 L CB -0.782 40.564 42.059 -1.189 0.000 0.924 466 L HN 0.311 nan 8.230 nan 0.000 0.447 467 K N -2.025 118.260 120.400 -0.192 0.000 2.574 467 K HA -0.052 4.267 4.320 -0.001 0.000 0.193 467 K C 0.893 177.431 176.600 -0.103 0.000 1.035 467 K CA 1.389 57.555 56.287 -0.202 0.000 0.982 467 K CB -0.383 31.825 32.500 -0.487 0.000 0.795 467 K HN 0.340 nan 8.250 nan 0.000 0.491 468 D N 0.217 120.590 120.400 -0.044 0.000 2.433 468 D HA 0.162 4.802 4.640 -0.001 0.000 0.211 468 D C -0.303 176.012 176.300 0.025 0.000 1.114 468 D CA 0.070 54.066 54.000 -0.007 0.000 0.837 468 D CB 0.792 41.586 40.800 -0.011 0.000 0.984 468 D HN 0.372 nan 8.370 nan 0.000 0.505 469 A N 0.694 123.525 122.820 0.018 0.000 2.303 469 A HA 0.346 4.665 4.320 -0.001 0.000 0.317 469 A C 0.304 177.829 177.584 -0.099 0.000 1.149 469 A CA -0.436 51.598 52.037 -0.005 0.000 0.822 469 A CB 0.922 19.950 19.000 0.047 0.000 1.131 469 A HN -0.044 nan 8.150 nan 0.000 0.493 470 Q N 0.611 120.319 119.800 -0.154 0.000 2.368 470 Q HA -0.044 4.296 4.340 -0.001 0.000 0.331 470 Q C 0.651 176.510 176.000 -0.236 0.000 1.086 470 Q CA -0.272 55.425 55.803 -0.177 0.000 1.031 470 Q CB 0.163 28.762 28.738 -0.231 0.000 1.125 470 Q HN 0.674 nan 8.270 nan 0.000 0.389 471 L N 3.898 125.081 121.223 -0.066 0.000 2.064 471 L HA -0.284 4.055 4.340 -0.001 0.000 0.216 471 L C 1.792 178.649 176.870 -0.021 0.000 1.077 471 L CA 1.870 56.695 54.840 -0.026 0.000 0.766 471 L CB -1.184 40.900 42.059 0.042 0.000 0.890 471 L HN 0.834 nan 8.230 nan 0.000 0.435 472 F N -1.524 118.440 119.950 0.023 0.000 2.333 472 F HA -0.119 4.407 4.527 -0.001 0.000 0.300 472 F C 2.126 177.942 175.800 0.027 0.000 1.083 472 F CA 0.998 59.011 58.000 0.022 0.000 1.395 472 F CB -0.904 38.110 39.000 0.024 0.000 1.056 472 F HN 0.068 nan 8.300 nan 0.000 0.529 473 I N 0.351 120.456 120.570 -0.775 0.000 2.296 473 I HA -0.192 3.977 4.170 -0.001 0.000 0.242 473 I C 2.538 178.538 176.117 -0.194 0.000 1.087 473 I CA 0.915 61.897 61.300 -0.531 0.000 1.393 473 I CB -0.610 37.043 38.000 -0.579 0.000 1.093 473 I HN 0.148 nan 8.210 nan 0.000 0.421 474 Q N 1.080 120.762 119.800 -0.197 0.000 2.062 474 Q HA -0.294 4.045 4.340 -0.001 0.000 0.209 474 Q C 2.162 178.109 176.000 -0.089 0.000 0.996 474 Q CA 1.819 57.527 55.803 -0.158 0.000 0.859 474 Q CB -0.301 28.359 28.738 -0.130 0.000 0.920 474 Q HN 0.427 nan 8.270 nan 0.000 0.415 475 K N 0.920 121.297 120.400 -0.038 0.000 2.032 475 K HA -0.225 4.095 4.320 -0.001 0.000 0.218 475 K C 2.116 178.711 176.600 -0.007 0.000 1.054 475 K CA 1.724 58.012 56.287 0.002 0.000 0.941 475 K CB -0.169 32.359 32.500 0.047 0.000 0.720 475 K HN 0.137 nan 8.250 nan 0.000 0.449 476 K N 0.185 120.590 120.400 0.009 0.000 2.020 476 K HA -0.205 4.114 4.320 -0.001 0.000 0.212 476 K C 2.301 178.856 176.600 -0.075 0.000 1.050 476 K CA 1.453 57.739 56.287 -0.003 0.000 0.929 476 K CB -0.328 32.200 32.500 0.047 0.000 0.714 476 K HN 0.208 nan 8.250 nan 0.000 0.443 477 A N 1.329 124.089 122.820 -0.099 0.000 1.859 477 A HA -0.193 4.126 4.320 -0.001 0.000 0.217 477 A C 2.470 179.908 177.584 -0.244 0.000 1.198 477 A CA 2.154 54.058 52.037 -0.221 0.000 0.629 477 A CB -1.015 17.853 19.000 -0.221 0.000 0.830 477 A HN 0.106 nan 8.150 nan 0.000 0.446 478 V N 0.918 120.804 119.914 -0.048 0.000 2.324 478 V HA -0.325 3.795 4.120 -0.001 0.000 0.250 478 V C 2.602 178.696 176.094 0.000 0.000 1.060 478 V CA 2.687 65.026 62.300 0.065 0.000 1.042 478 V CB -0.890 30.962 31.823 0.048 0.000 0.650 478 V HN 0.800 nan 8.190 nan 0.000 0.450 479 K N 1.680 122.054 120.400 -0.044 0.000 2.044 479 K HA -0.242 4.077 4.320 -0.001 0.000 0.210 479 K C 1.602 178.148 176.600 -0.090 0.000 1.049 479 K CA 2.567 58.826 56.287 -0.047 0.000 0.927 479 K CB -0.727 31.751 32.500 -0.037 0.000 0.713 479 K HN 0.577 nan 8.250 nan 0.000 0.443 480 N N -0.704 117.886 118.700 -0.183 0.000 2.244 480 N HA 0.006 4.745 4.740 -0.001 0.000 0.183 480 N C 1.488 176.832 175.510 -0.277 0.000 1.016 480 N CA 1.386 54.287 53.050 -0.249 0.000 0.866 480 N CB -0.195 38.076 38.487 -0.359 0.000 0.980 480 N HN 0.160 nan 8.380 nan 0.000 0.430 481 F N 0.490 120.263 119.950 -0.296 0.000 2.146 481 F HA -0.098 4.428 4.527 -0.001 0.000 0.298 481 F C 2.397 177.962 175.800 -0.392 0.000 1.096 481 F CA 0.456 58.117 58.000 -0.566 0.000 1.275 481 F CB 0.028 38.636 39.000 -0.654 0.000 1.008 481 F HN 0.003 nan 8.300 nan 0.000 0.480 482 S N -0.199 115.505 115.700 0.007 0.000 2.383 482 S HA -0.172 4.298 4.470 -0.001 0.000 0.227 482 S C 1.281 175.888 174.600 0.011 0.000 1.026 482 S CA 1.318 59.539 58.200 0.035 0.000 0.981 482 S CB -0.368 62.852 63.200 0.033 0.000 0.818 482 S HN 0.343 nan 8.310 nan 0.000 0.472 483 D N 1.166 121.551 120.400 -0.025 0.000 2.309 483 D HA -0.050 4.589 4.640 -0.001 0.000 0.212 483 D C 1.726 178.028 176.300 0.002 0.000 0.968 483 D CA 0.443 54.431 54.000 -0.021 0.000 0.882 483 D CB -0.357 40.429 40.800 -0.023 0.000 0.918 483 D HN 0.259 nan 8.370 nan 0.000 0.503 484 V N -0.423 119.492 119.914 0.002 0.000 2.346 484 V HA -0.056 4.063 4.120 -0.001 0.000 0.244 484 V C 0.837 177.048 176.094 0.195 0.000 1.037 484 V CA 0.968 63.307 62.300 0.064 0.000 1.029 484 V CB -0.219 31.603 31.823 -0.001 0.000 0.663 484 V HN 0.391 nan 8.190 nan 0.000 0.454 485 H N -1.416 117.695 119.070 0.068 0.000 3.141 485 H HA 0.144 4.699 4.556 -0.001 0.000 0.309 485 H C -2.620 172.775 175.328 0.113 0.000 1.083 485 H CA -0.961 55.159 56.048 0.121 0.000 1.466 485 H CB 1.768 31.664 29.762 0.223 0.000 2.095 485 H HN -0.123 nan 8.280 nan 0.000 0.467 486 P HA -0.297 nan 4.420 nan 0.000 0.224 486 P C 1.323 178.756 177.300 0.222 0.000 1.153 486 P CA 2.195 65.290 63.100 -0.009 0.000 0.947 486 P CB 0.239 31.846 31.700 -0.156 0.000 0.790 487 E N -2.041 118.460 120.200 0.502 0.000 2.150 487 E HA -0.223 4.127 4.350 -0.001 0.000 0.193 487 E C 2.082 178.879 176.600 0.328 0.000 0.985 487 E CA 0.559 57.206 56.400 0.412 0.000 0.814 487 E CB -0.441 29.525 29.700 0.443 0.000 0.752 487 E HN 0.086 nan 8.360 nan 0.000 0.466 488 Y N 0.963 121.332 120.300 0.115 0.000 2.030 488 Y HA -0.180 4.369 4.550 -0.001 0.000 0.274 488 Y C 2.286 178.080 175.900 -0.177 0.000 1.153 488 Y CA 2.091 59.959 58.100 -0.388 0.000 1.115 488 Y CB -1.035 36.977 38.460 -0.747 0.000 0.969 488 Y HN 0.094 nan 8.280 nan 0.000 0.488 489 G N -1.395 107.527 108.800 0.203 0.000 2.433 489 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.216 489 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.216 489 G C 2.013 176.976 174.900 0.106 0.000 1.186 489 G CA 1.336 46.514 45.100 0.130 0.000 0.779 489 G HN 0.490 nan 8.290 nan 0.000 0.543 490 S N 0.131 115.899 115.700 0.112 0.000 2.369 490 S HA -0.245 4.224 4.470 -0.001 0.000 0.225 490 S C 2.389 177.036 174.600 0.077 0.000 1.043 490 S CA 2.048 60.301 58.200 0.087 0.000 1.074 490 S CB -0.363 62.895 63.200 0.097 0.000 0.962 490 S HN 0.441 nan 8.310 nan 0.000 0.433 491 R N 0.223 120.780 120.500 0.095 0.000 2.097 491 R HA -0.104 4.235 4.340 -0.001 0.000 0.236 491 R C 2.306 178.632 176.300 0.044 0.000 1.135 491 R CA 2.101 58.240 56.100 0.066 0.000 0.934 491 R CB -0.501 29.844 30.300 0.076 0.000 0.846 491 R HN 0.439 nan 8.270 nan 0.000 0.431 492 I N 0.896 121.489 120.570 0.039 0.000 2.053 492 I HA -0.356 3.813 4.170 -0.001 0.000 0.236 492 I C 2.493 178.629 176.117 0.032 0.000 1.038 492 I CA 1.623 62.928 61.300 0.010 0.000 1.304 492 I CB -1.522 36.457 38.000 -0.036 0.000 1.023 492 I HN 0.327 nan 8.210 nan 0.000 0.395 493 Q N 1.083 120.905 119.800 0.037 0.000 2.182 493 Q HA -0.259 4.081 4.340 -0.001 0.000 0.213 493 Q C 2.104 178.125 176.000 0.036 0.000 1.000 493 Q CA 2.846 58.670 55.803 0.035 0.000 0.889 493 Q CB -0.602 28.159 28.738 0.037 0.000 0.932 493 Q HN 0.522 nan 8.270 nan 0.000 0.415 494 A N -0.087 122.752 122.820 0.032 0.000 1.849 494 A HA -0.205 4.115 4.320 -0.001 0.000 0.217 494 A C 2.214 179.806 177.584 0.013 0.000 1.202 494 A CA 1.848 53.896 52.037 0.018 0.000 0.629 494 A CB -1.105 17.903 19.000 0.013 0.000 0.834 494 A HN 0.459 nan 8.150 nan 0.000 0.447 495 L N -0.718 120.520 121.223 0.024 0.000 1.997 495 L HA -0.247 4.092 4.340 -0.001 0.000 0.216 495 L C 2.538 179.473 176.870 0.108 0.000 1.074 495 L CA 1.094 55.949 54.840 0.024 0.000 0.763 495 L CB -0.696 41.431 42.059 0.113 0.000 0.890 495 L HN 0.323 nan 8.230 nan 0.000 0.434 496 L N -0.024 121.300 121.223 0.168 0.000 2.030 496 L HA -0.334 4.005 4.340 -0.001 0.000 0.222 496 L C 2.436 179.402 176.870 0.159 0.000 1.082 496 L CA 2.172 57.127 54.840 0.192 0.000 0.785 496 L CB -1.426 40.675 42.059 0.069 0.000 0.895 496 L HN 0.418 nan 8.230 nan 0.000 0.439 497 D N -0.513 119.930 120.400 0.071 0.000 2.104 497 D HA -0.194 4.445 4.640 -0.001 0.000 0.194 497 D C 2.135 178.448 176.300 0.020 0.000 0.994 497 D CA 1.107 55.131 54.000 0.041 0.000 0.830 497 D CB -0.188 40.622 40.800 0.017 0.000 0.959 497 D HN 0.350 nan 8.370 nan 0.000 0.452 498 K N -0.207 120.166 120.400 -0.044 0.000 2.074 498 K HA -0.185 4.134 4.320 -0.001 0.000 0.209 498 K C 2.320 178.869 176.600 -0.085 0.000 1.048 498 K CA 1.165 57.382 56.287 -0.118 0.000 0.926 498 K CB -0.329 32.020 32.500 -0.252 0.000 0.713 498 K HN 0.232 nan 8.250 nan 0.000 0.444 499 Y N 1.439 121.741 120.300 0.004 0.000 2.200 499 Y HA -0.124 4.425 4.550 -0.001 0.000 0.290 499 Y C 1.870 177.772 175.900 0.004 0.000 1.137 499 Y CA 0.883 58.986 58.100 0.006 0.000 1.163 499 Y CB -0.508 37.956 38.460 0.007 0.000 0.988 499 Y HN 0.110 nan 8.280 nan 0.000 0.518 500 N N 1.280 120.082 118.700 0.169 0.000 2.651 500 N HA -0.128 4.612 4.740 -0.001 0.000 0.193 500 N C 0.464 176.012 175.510 0.065 0.000 1.149 500 N CA 1.517 54.623 53.050 0.093 0.000 0.933 500 N CB -0.403 38.123 38.487 0.065 0.000 0.974 500 N HN 0.453 nan 8.380 nan 0.000 0.448 501 E N 0.000 120.237 120.200 0.062 0.000 2.725 501 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 501 E CA 0.000 56.422 56.400 0.037 0.000 0.976 501 E CB 0.000 29.729 29.700 0.048 0.000 0.812 501 E HN 0.000 nan 8.360 nan 0.000 0.440