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 2o0x_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKTWPAPTAP TPVRATVTVP GSKSQTNRAL VLAALAAAQG RGASTISGAL DATA SEQUENCE RSRDTELMLD ALQTLGLRVD GVGSELTVSG RIEPGPGARV DCGLAGTVLR DATA SEQUENCE FVPPLAALGS VPVTFDGDQQ ARGRPIAPLL DALRELGVAV DGTGLPFRVR DATA SEQUENCE GNGSLAGGTV AIDASASSQF VSGLLLSAAS FTDGLTVQHT GSSLPSAPHI DATA SEQUENCE AMTAAMLRQA GVDIDDSTPN RWQVRPGPVA ARRWDIEPDL TNAVAFLSAA DATA SEQUENCE VVSGGTVRIT GWPRVSVQPA DHILAILRQL NAVVIHADSS LEVRGPTGYD DATA SEQUENCE GFDVDLRAVG ELTPSVAALA ALASPGSVSR LSGIAHLRGH ETDRLAALST DATA SEQUENCE EINRLGGTCR ETPDGLVITA TPLRPGIWRA YADHRMAMAG AIIGLRVAGV DATA SEQUENCE EVDDIAATTK TLPEFPRLWA EMVG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.322 176.300 0.037 0.000 1.140 1 M CA 0.000 55.315 55.300 0.025 0.000 0.988 1 M CB 0.000 32.613 32.600 0.021 0.000 1.302 2 K N 1.922 122.351 120.400 0.049 0.000 2.180 2 K HA 0.476 4.793 4.320 -0.005 0.000 0.251 2 K C -0.033 176.621 176.600 0.090 0.000 1.014 2 K CA 0.179 56.502 56.287 0.061 0.000 0.913 2 K CB 0.908 33.445 32.500 0.062 0.000 1.008 2 K HN 0.699 nan 8.250 nan 0.000 0.490 3 T N -0.993 113.618 114.554 0.096 0.000 2.824 3 T HA 0.220 4.566 4.350 -0.005 0.000 0.277 3 T C -0.840 173.988 174.700 0.212 0.000 0.975 3 T CA -0.693 61.491 62.100 0.140 0.000 0.966 3 T CB 0.530 69.465 68.868 0.111 0.000 1.054 3 T HN 0.685 nan 8.240 nan 0.000 0.533 4 W N 3.535 124.861 121.300 0.043 0.000 2.362 4 W HA 0.479 5.136 4.660 -0.005 0.000 0.316 4 W C -2.620 173.929 176.519 0.051 0.000 1.024 4 W CA -2.915 54.460 57.345 0.049 0.000 1.270 4 W CB 1.438 30.931 29.460 0.055 0.000 1.273 4 W HN 0.521 nan 8.180 nan 0.000 0.424 5 P HA 0.166 nan 4.420 nan 0.000 0.276 5 P C -0.505 176.233 177.300 -0.937 0.000 1.243 5 P CA 0.123 62.943 63.100 -0.468 0.000 0.768 5 P CB 1.077 32.586 31.700 -0.319 0.000 0.856 6 A N 6.973 129.444 122.820 -0.582 0.000 2.347 6 A HA 0.437 4.754 4.320 -0.005 0.000 0.287 6 A C -1.896 175.551 177.584 -0.228 0.000 1.199 6 A CA -1.489 50.243 52.037 -0.509 0.000 0.851 6 A CB -0.712 18.262 19.000 -0.044 0.000 1.118 6 A HN 0.398 nan 8.150 nan 0.000 0.525 7 P HA 0.146 nan 4.420 nan 0.000 0.268 7 P C 0.391 177.705 177.300 0.024 0.000 1.204 7 P CA 0.203 63.270 63.100 -0.054 0.000 0.768 7 P CB 0.628 32.330 31.700 0.003 0.000 0.842 8 T N -0.940 113.611 114.554 -0.005 0.000 2.849 8 T HA 0.584 4.930 4.350 -0.005 0.000 0.284 8 T C 0.126 174.828 174.700 0.004 0.000 1.004 8 T CA -0.809 61.299 62.100 0.013 0.000 1.021 8 T CB 0.765 69.633 68.868 0.001 0.000 1.013 8 T HN 0.429 nan 8.240 nan 0.000 0.527 9 A N 2.533 125.358 122.820 0.008 0.000 2.709 9 A HA 0.584 4.900 4.320 -0.005 0.000 0.332 9 A C -1.722 175.860 177.584 -0.002 0.000 1.241 9 A CA -1.500 50.532 52.037 -0.007 0.000 0.782 9 A CB 0.530 19.522 19.000 -0.014 0.000 1.109 9 A HN 0.710 nan 8.150 nan 0.000 0.472 10 P HA 0.026 nan 4.420 nan 0.000 0.237 10 P C 0.475 177.771 177.300 -0.005 0.000 1.178 10 P CA 1.153 64.250 63.100 -0.004 0.000 0.766 10 P CB 0.078 31.774 31.700 -0.007 0.000 0.876 11 T N -4.615 109.933 114.554 -0.010 0.000 2.896 11 T HA 0.549 4.896 4.350 -0.005 0.000 0.297 11 T C -3.238 171.454 174.700 -0.014 0.000 1.108 11 T CA -2.710 59.384 62.100 -0.011 0.000 1.004 11 T CB 1.135 69.995 68.868 -0.014 0.000 1.159 11 T HN -0.342 nan 8.240 nan 0.000 0.499 12 P HA 0.175 nan 4.420 nan 0.000 0.260 12 P C -0.139 177.144 177.300 -0.029 0.000 1.185 12 P CA -0.292 62.800 63.100 -0.014 0.000 0.763 12 P CB 0.082 31.775 31.700 -0.011 0.000 0.776 13 V N 5.968 125.859 119.914 -0.039 0.000 2.673 13 V HA 0.014 4.131 4.120 -0.005 0.000 0.303 13 V C 1.018 177.079 176.094 -0.055 0.000 1.046 13 V CA 0.624 62.886 62.300 -0.064 0.000 1.126 13 V CB -0.298 31.469 31.823 -0.093 0.000 0.934 13 V HN 0.493 nan 8.190 nan 0.000 0.487 14 R N 2.991 123.456 120.500 -0.059 0.000 2.502 14 R HA 0.768 5.105 4.340 -0.005 0.000 0.298 14 R C -0.712 175.554 176.300 -0.056 0.000 1.018 14 R CA -0.190 55.880 56.100 -0.051 0.000 0.899 14 R CB 2.060 32.336 30.300 -0.040 0.000 1.181 14 R HN 0.906 nan 8.270 nan 0.000 0.444 15 A N 1.296 124.083 122.820 -0.056 0.000 2.601 15 A HA 0.682 4.998 4.320 -0.005 0.000 0.291 15 A C -1.185 176.367 177.584 -0.053 0.000 1.075 15 A CA -0.702 51.300 52.037 -0.058 0.000 0.671 15 A CB 2.148 21.103 19.000 -0.074 0.000 1.277 15 A HN 0.403 nan 8.150 nan 0.000 0.417 16 T N 1.096 115.618 114.554 -0.054 0.000 2.786 16 T HA 0.587 4.933 4.350 -0.005 0.000 0.283 16 T C -0.847 173.808 174.700 -0.076 0.000 0.992 16 T CA -0.278 61.790 62.100 -0.053 0.000 0.954 16 T CB 1.015 69.859 68.868 -0.040 0.000 0.934 16 T HN 0.714 nan 8.240 nan 0.000 0.440 17 V N 3.302 123.156 119.914 -0.099 0.000 2.604 17 V HA 0.531 4.648 4.120 -0.005 0.000 0.305 17 V C 0.185 176.183 176.094 -0.161 0.000 1.043 17 V CA -0.794 61.395 62.300 -0.185 0.000 0.888 17 V CB 2.188 33.806 31.823 -0.342 0.000 0.995 17 V HN 0.888 nan 8.190 nan 0.000 0.429 18 T N 4.302 118.759 114.554 -0.162 0.000 2.756 18 T HA 0.524 4.871 4.350 -0.005 0.000 0.290 18 T C -0.205 174.414 174.700 -0.134 0.000 0.985 18 T CA -0.320 61.718 62.100 -0.103 0.000 0.955 18 T CB 1.167 70.002 68.868 -0.055 0.000 0.930 18 T HN 0.663 nan 8.240 nan 0.000 0.451 19 V N 3.216 123.075 119.914 -0.093 0.000 2.713 19 V HA 0.764 4.880 4.120 -0.005 0.000 0.307 19 V C -2.118 173.978 176.094 0.003 0.000 1.052 19 V CA -2.298 59.969 62.300 -0.055 0.000 0.967 19 V CB 0.809 32.636 31.823 0.005 0.000 1.019 19 V HN 0.564 nan 8.190 nan 0.000 0.459 20 P HA 0.307 nan 4.420 nan 0.000 0.297 20 P C 0.404 177.720 177.300 0.026 0.000 1.303 20 P CA 0.017 63.134 63.100 0.028 0.000 0.753 20 P CB 0.313 32.036 31.700 0.039 0.000 1.281 21 G N -0.223 108.589 108.800 0.020 0.000 2.559 21 G HA2 0.144 4.101 3.960 -0.005 0.000 0.235 21 G HA3 0.144 4.101 3.960 -0.005 0.000 0.235 21 G C 0.179 175.087 174.900 0.014 0.000 1.266 21 G CA -0.158 44.950 45.100 0.013 0.000 0.847 21 G HN 0.530 nan 8.290 nan 0.000 0.583 22 S N 0.291 115.993 115.700 0.003 0.000 2.544 22 S HA 0.012 4.479 4.470 -0.005 0.000 0.290 22 S C 1.661 176.268 174.600 0.013 0.000 1.276 22 S CA -0.161 58.044 58.200 0.007 0.000 1.075 22 S CB 0.758 63.953 63.200 -0.008 0.000 0.849 22 S HN 0.692 nan 8.310 nan 0.000 0.494 23 K N 3.750 124.163 120.400 0.021 0.000 2.002 23 K HA -0.087 4.230 4.320 -0.005 0.000 0.209 23 K C 2.053 178.658 176.600 0.009 0.000 1.048 23 K CA 1.921 58.211 56.287 0.004 0.000 0.930 23 K CB -0.805 31.691 32.500 -0.007 0.000 0.714 23 K HN 0.689 nan 8.250 nan 0.000 0.438 24 S N 1.233 116.962 115.700 0.048 0.000 2.359 24 S HA -0.226 4.241 4.470 -0.005 0.000 0.223 24 S C 2.001 176.644 174.600 0.072 0.000 1.039 24 S CA 1.770 60.031 58.200 0.102 0.000 1.042 24 S CB -0.276 63.059 63.200 0.225 0.000 0.915 24 S HN 0.459 nan 8.310 nan 0.000 0.439 25 Q N 0.187 120.003 119.800 0.026 0.000 2.079 25 Q HA -0.118 4.219 4.340 -0.005 0.000 0.200 25 Q C 2.038 177.998 176.000 -0.067 0.000 0.974 25 Q CA 1.605 57.395 55.803 -0.022 0.000 0.840 25 Q CB -0.293 28.439 28.738 -0.010 0.000 0.898 25 Q HN 0.494 nan 8.270 nan 0.000 0.430 26 T N 1.389 115.919 114.554 -0.040 0.000 2.622 26 T HA -0.144 4.203 4.350 -0.005 0.000 0.266 26 T C 1.518 176.169 174.700 -0.081 0.000 1.047 26 T CA 1.595 63.660 62.100 -0.060 0.000 1.159 26 T CB -0.373 68.476 68.868 -0.031 0.000 0.863 26 T HN 0.336 nan 8.240 nan 0.000 0.422 27 N N 0.555 119.236 118.700 -0.032 0.000 2.289 27 N HA 0.017 4.754 4.740 -0.005 0.000 0.184 27 N C 1.961 177.487 175.510 0.026 0.000 1.016 27 N CA 0.692 53.743 53.050 0.002 0.000 0.872 27 N CB -0.190 38.306 38.487 0.015 0.000 0.973 27 N HN 0.366 nan 8.380 nan 0.000 0.433 28 R N 0.257 120.744 120.500 -0.020 0.000 2.073 28 R HA 0.111 4.447 4.340 -0.005 0.000 0.229 28 R C 2.132 178.212 176.300 -0.367 0.000 1.120 28 R CA 1.139 57.155 56.100 -0.139 0.000 0.967 28 R CB -0.241 29.959 30.300 -0.166 0.000 0.862 28 R HN 0.151 nan 8.270 nan 0.000 0.436 29 A N 1.098 123.598 122.820 -0.533 0.000 1.908 29 A HA -0.153 4.163 4.320 -0.005 0.000 0.218 29 A C 2.122 179.358 177.584 -0.578 0.000 1.181 29 A CA 1.217 52.665 52.037 -0.982 0.000 0.627 29 A CB -0.558 17.889 19.000 -0.922 0.000 0.818 29 A HN 0.196 nan 8.150 nan 0.000 0.445 30 L N -0.763 120.287 121.223 -0.288 0.000 2.046 30 L HA -0.168 4.169 4.340 -0.005 0.000 0.208 30 L C 2.561 179.369 176.870 -0.103 0.000 1.077 30 L CA 1.090 55.845 54.840 -0.143 0.000 0.747 30 L CB -0.462 41.554 42.059 -0.072 0.000 0.896 30 L HN 0.261 nan 8.230 nan 0.000 0.432 31 V N -0.005 119.851 119.914 -0.097 0.000 2.295 31 V HA -0.288 3.829 4.120 -0.005 0.000 0.246 31 V C 2.363 178.409 176.094 -0.081 0.000 1.049 31 V CA 1.646 63.914 62.300 -0.053 0.000 1.024 31 V CB -0.312 31.493 31.823 -0.031 0.000 0.648 31 V HN 0.328 nan 8.190 nan 0.000 0.447 32 L N 0.006 121.136 121.223 -0.156 0.000 2.046 32 L HA -0.181 4.155 4.340 -0.005 0.000 0.208 32 L C 2.756 179.635 176.870 0.014 0.000 1.077 32 L CA 1.661 56.447 54.840 -0.089 0.000 0.747 32 L CB -0.891 41.078 42.059 -0.151 0.000 0.896 32 L HN 0.379 nan 8.230 nan 0.000 0.432 33 A N 0.116 122.929 122.820 -0.011 0.000 1.908 33 A HA -0.207 4.110 4.320 -0.005 0.000 0.218 33 A C 2.522 180.136 177.584 0.050 0.000 1.181 33 A CA 1.863 53.953 52.037 0.089 0.000 0.627 33 A CB -0.676 18.372 19.000 0.078 0.000 0.818 33 A HN 0.428 nan 8.150 nan 0.000 0.445 34 A N -0.566 122.262 122.820 0.014 0.000 1.930 34 A HA 0.021 4.338 4.320 -0.005 0.000 0.217 34 A C 2.141 179.740 177.584 0.025 0.000 1.175 34 A CA 1.450 53.500 52.037 0.021 0.000 0.627 34 A CB -0.516 18.495 19.000 0.017 0.000 0.815 34 A HN 0.462 nan 8.150 nan 0.000 0.443 35 L N -0.744 120.489 121.223 0.016 0.000 2.056 35 L HA -0.142 4.195 4.340 -0.005 0.000 0.207 35 L C 3.082 179.967 176.870 0.024 0.000 1.078 35 L CA 1.048 55.895 54.840 0.012 0.000 0.749 35 L CB -0.527 41.525 42.059 -0.013 0.000 0.901 35 L HN 0.397 nan 8.230 nan 0.000 0.433 36 A N 0.089 122.935 122.820 0.044 0.000 1.892 36 A HA -0.267 4.050 4.320 -0.005 0.000 0.218 36 A C 2.508 180.116 177.584 0.041 0.000 1.188 36 A CA 2.154 54.222 52.037 0.051 0.000 0.631 36 A CB -0.874 18.177 19.000 0.084 0.000 0.822 36 A HN 0.420 nan 8.150 nan 0.000 0.447 37 A N -0.419 122.426 122.820 0.042 0.000 1.873 37 A HA 0.231 4.548 4.320 -0.005 0.000 0.215 37 A C 2.502 180.102 177.584 0.028 0.000 1.186 37 A CA 1.940 53.998 52.037 0.035 0.000 0.616 37 A CB -1.046 17.975 19.000 0.035 0.000 0.823 37 A HN 1.152 nan 8.150 nan 0.000 0.442 38 A N -0.756 122.081 122.820 0.028 0.000 2.019 38 A HA -0.190 4.127 4.320 -0.005 0.000 0.219 38 A C 2.000 179.599 177.584 0.025 0.000 1.164 38 A CA 1.531 53.584 52.037 0.027 0.000 0.644 38 A CB -0.474 18.544 19.000 0.030 0.000 0.805 38 A HN 0.665 nan 8.150 nan 0.000 0.449 39 Q N -1.870 117.944 119.800 0.023 0.000 2.451 39 Q HA 0.201 4.538 4.340 -0.005 0.000 0.206 39 Q C 1.088 177.100 176.000 0.019 0.000 0.947 39 Q CA 0.443 56.258 55.803 0.021 0.000 0.937 39 Q CB 0.115 28.863 28.738 0.017 0.000 1.025 39 Q HN 0.901 nan 8.270 nan 0.000 0.511 40 G N 1.465 110.277 108.800 0.020 0.000 2.141 40 G HA2 -0.247 3.710 3.960 -0.005 0.000 0.231 40 G HA3 -0.247 3.710 3.960 -0.005 0.000 0.231 40 G C 0.577 175.487 174.900 0.016 0.000 0.984 40 G CA -0.068 45.042 45.100 0.017 0.000 0.660 40 G HN 0.272 nan 8.290 nan 0.000 0.525 41 R N 0.575 121.086 120.500 0.019 0.000 2.334 41 R HA 0.440 4.776 4.340 -0.005 0.000 0.220 41 R C 1.371 177.682 176.300 0.019 0.000 0.917 41 R CA 0.683 56.793 56.100 0.017 0.000 1.073 41 R CB 0.174 30.485 30.300 0.019 0.000 1.056 41 R HN 1.584 nan 8.270 nan 0.000 0.506 42 G N 0.730 109.543 108.800 0.021 0.000 2.566 42 G HA2 -0.074 3.883 3.960 -0.005 0.000 0.599 42 G HA3 -0.074 3.883 3.960 -0.005 0.000 0.599 42 G C -0.824 174.094 174.900 0.031 0.000 1.292 42 G CA -0.551 44.562 45.100 0.022 0.000 0.922 42 G HN 0.349 nan 8.290 nan 0.000 0.514 43 A N -0.321 122.517 122.820 0.030 0.000 2.322 43 A HA 0.821 5.138 4.320 -0.005 0.000 0.269 43 A C 0.693 178.309 177.584 0.053 0.000 1.094 43 A CA 0.963 53.023 52.037 0.039 0.000 0.807 43 A CB 0.641 19.660 19.000 0.031 0.000 1.047 43 A HN 1.926 nan 8.150 nan 0.000 0.487 44 S N -0.239 115.509 115.700 0.080 0.000 2.566 44 S HA 0.725 5.192 4.470 -0.005 0.000 0.298 44 S C -0.403 174.271 174.600 0.123 0.000 1.083 44 S CA -0.541 57.729 58.200 0.117 0.000 0.978 44 S CB 1.914 65.246 63.200 0.221 0.000 1.073 44 S HN 0.753 nan 8.310 nan 0.000 0.491 45 T N 1.902 116.534 114.554 0.130 0.000 2.829 45 T HA 0.589 4.936 4.350 -0.005 0.000 0.280 45 T C -0.554 174.267 174.700 0.203 0.000 0.999 45 T CA -0.396 61.778 62.100 0.125 0.000 0.983 45 T CB 0.572 69.481 68.868 0.069 0.000 0.968 45 T HN 0.425 nan 8.240 nan 0.000 0.446 46 I N 2.396 123.069 120.570 0.172 0.000 2.354 46 I HA 0.407 4.574 4.170 -0.005 0.000 0.286 46 I C 0.297 176.481 176.117 0.112 0.000 1.007 46 I CA -0.505 60.907 61.300 0.186 0.000 1.167 46 I CB 1.567 39.635 38.000 0.114 0.000 1.320 46 I HN 0.478 nan 8.210 nan 0.000 0.458 47 S N 4.467 120.234 115.700 0.112 0.000 2.462 47 S HA 0.651 5.118 4.470 -0.005 0.000 0.294 47 S C 0.832 175.469 174.600 0.062 0.000 1.144 47 S CA 0.353 58.595 58.200 0.070 0.000 1.088 47 S CB 1.118 64.351 63.200 0.055 0.000 1.009 47 S HN 1.085 nan 8.310 nan 0.000 0.484 48 G N 2.629 111.455 108.800 0.043 0.000 2.143 48 G HA2 -0.121 3.836 3.960 -0.005 0.000 0.249 48 G HA3 -0.121 3.836 3.960 -0.005 0.000 0.249 48 G C 0.356 175.274 174.900 0.030 0.000 0.981 48 G CA -0.001 45.119 45.100 0.033 0.000 0.665 48 G HN 1.472 nan 8.290 nan 0.000 0.528 49 A N -0.219 122.620 122.820 0.032 0.000 2.565 49 A HA 0.512 4.829 4.320 -0.005 0.000 0.237 49 A C 0.697 178.290 177.584 0.014 0.000 1.053 49 A CA 0.618 52.667 52.037 0.020 0.000 0.755 49 A CB 0.389 19.400 19.000 0.018 0.000 0.980 49 A HN 1.705 nan 8.150 nan 0.000 0.506 50 L N 3.182 124.410 121.223 0.007 0.000 2.410 50 L HA 0.333 4.670 4.340 -0.005 0.000 0.273 50 L C 0.094 176.964 176.870 0.001 0.000 1.152 50 L CA 0.262 55.106 54.840 0.007 0.000 0.855 50 L CB 0.346 42.409 42.059 0.005 0.000 1.129 50 L HN 0.595 nan 8.230 nan 0.000 0.463 51 R N 4.339 124.841 120.500 0.004 0.000 2.215 51 R HA 0.544 4.881 4.340 -0.005 0.000 0.337 51 R C -0.542 175.755 176.300 -0.004 0.000 1.010 51 R CA -0.162 55.937 56.100 -0.001 0.000 0.871 51 R CB 0.511 30.814 30.300 0.004 0.000 1.134 51 R HN 0.865 nan 8.270 nan 0.000 0.477 52 S N 0.308 115.996 115.700 -0.019 0.000 2.643 52 S HA 0.367 4.833 4.470 -0.005 0.000 0.270 52 S C 0.680 175.250 174.600 -0.050 0.000 1.166 52 S CA -0.993 57.189 58.200 -0.030 0.000 0.815 52 S CB 2.192 65.371 63.200 -0.035 0.000 1.139 52 S HN 0.560 nan 8.310 nan 0.000 0.472 53 R N 0.114 120.574 120.500 -0.068 0.000 2.096 53 R HA -0.099 4.238 4.340 -0.005 0.000 0.235 53 R C 0.824 177.071 176.300 -0.089 0.000 1.127 53 R CA 2.023 58.078 56.100 -0.075 0.000 0.968 53 R CB -0.625 29.623 30.300 -0.085 0.000 0.861 53 R HN 0.726 nan 8.270 nan 0.000 0.440 54 D N -0.820 119.511 120.400 -0.115 0.000 2.117 54 D HA -0.116 4.521 4.640 -0.005 0.000 0.198 54 D C 1.876 178.121 176.300 -0.091 0.000 0.982 54 D CA 1.944 55.870 54.000 -0.124 0.000 0.828 54 D CB -0.105 40.598 40.800 -0.161 0.000 0.967 54 D HN 0.402 nan 8.370 nan 0.000 0.464 55 T N -1.913 112.598 114.554 -0.071 0.000 2.985 55 T HA -0.061 4.286 4.350 -0.005 0.000 0.266 55 T C 1.822 176.496 174.700 -0.043 0.000 1.076 55 T CA 0.966 63.034 62.100 -0.052 0.000 1.135 55 T CB 0.028 68.873 68.868 -0.039 0.000 0.890 55 T HN -0.105 nan 8.240 nan 0.000 0.480 56 E N 1.295 121.469 120.200 -0.043 0.000 2.106 56 E HA 0.043 4.389 4.350 -0.005 0.000 0.192 56 E C 1.997 178.572 176.600 -0.041 0.000 0.984 56 E CA 0.850 57.228 56.400 -0.037 0.000 0.806 56 E CB -0.676 29.004 29.700 -0.034 0.000 0.750 56 E HN 0.589 nan 8.360 nan 0.000 0.458 57 L N -0.292 120.900 121.223 -0.051 0.000 2.083 57 L HA -0.165 4.172 4.340 -0.005 0.000 0.209 57 L C 2.430 179.274 176.870 -0.044 0.000 1.083 57 L CA 1.133 55.942 54.840 -0.052 0.000 0.752 57 L CB -0.415 41.607 42.059 -0.061 0.000 0.899 57 L HN 0.291 nan 8.230 nan 0.000 0.433 58 M N -0.030 119.543 119.600 -0.044 0.000 2.099 58 M HA -0.177 4.300 4.480 -0.005 0.000 0.262 58 M C 2.084 178.372 176.300 -0.019 0.000 1.067 58 M CA 1.676 56.960 55.300 -0.027 0.000 1.124 58 M CB -0.454 32.128 32.600 -0.029 0.000 1.353 58 M HN 0.156 nan 8.290 nan 0.000 0.410 59 L N -0.075 121.134 121.223 -0.024 0.000 1.971 59 L HA -0.305 4.031 4.340 -0.005 0.000 0.215 59 L C 1.735 178.593 176.870 -0.021 0.000 1.072 59 L CA 2.176 57.005 54.840 -0.019 0.000 0.758 59 L CB -0.805 41.243 42.059 -0.019 0.000 0.889 59 L HN 0.291 nan 8.230 nan 0.000 0.433 60 D N 0.017 120.399 120.400 -0.029 0.000 2.182 60 D HA -0.191 4.446 4.640 -0.005 0.000 0.201 60 D C 2.179 178.452 176.300 -0.045 0.000 0.986 60 D CA 1.400 55.378 54.000 -0.037 0.000 0.847 60 D CB -0.208 40.566 40.800 -0.043 0.000 0.942 60 D HN 0.567 nan 8.370 nan 0.000 0.467 61 A N 0.980 123.775 122.820 -0.041 0.000 1.883 61 A HA -0.157 4.160 4.320 -0.005 0.000 0.217 61 A C 2.405 179.973 177.584 -0.027 0.000 1.186 61 A CA 1.054 53.065 52.037 -0.044 0.000 0.624 61 A CB -0.852 18.143 19.000 -0.009 0.000 0.822 61 A HN 0.232 nan 8.150 nan 0.000 0.444 62 L N -0.925 120.294 121.223 -0.007 0.000 2.083 62 L HA -0.251 4.086 4.340 -0.005 0.000 0.209 62 L C 2.823 179.687 176.870 -0.010 0.000 1.083 62 L CA 1.523 56.364 54.840 0.002 0.000 0.752 62 L CB -0.704 41.359 42.059 0.006 0.000 0.899 62 L HN 0.511 nan 8.230 nan 0.000 0.433 63 Q N -0.642 119.146 119.800 -0.020 0.000 2.172 63 Q HA -0.128 4.209 4.340 -0.005 0.000 0.200 63 Q C 2.184 178.165 176.000 -0.032 0.000 0.964 63 Q CA 1.642 57.432 55.803 -0.022 0.000 0.855 63 Q CB -0.098 28.626 28.738 -0.022 0.000 0.918 63 Q HN 0.471 nan 8.270 nan 0.000 0.444 64 T N 1.476 116.000 114.554 -0.051 0.000 2.833 64 T HA -0.074 4.273 4.350 -0.005 0.000 0.269 64 T C 1.671 176.334 174.700 -0.062 0.000 1.054 64 T CA 0.792 62.849 62.100 -0.072 0.000 1.135 64 T CB -0.025 68.772 68.868 -0.119 0.000 0.869 64 T HN 0.217 nan 8.240 nan 0.000 0.466 65 L N -0.175 121.023 121.223 -0.041 0.000 2.492 65 L HA 0.234 4.571 4.340 -0.005 0.000 0.223 65 L C 2.103 178.970 176.870 -0.005 0.000 1.132 65 L CA 0.687 55.517 54.840 -0.017 0.000 0.850 65 L CB -0.217 41.849 42.059 0.012 0.000 0.966 65 L HN 0.531 nan 8.230 nan 0.000 0.454 66 G N -0.477 108.318 108.800 -0.009 0.000 2.296 66 G HA2 -0.189 3.767 3.960 -0.005 0.000 0.188 66 G HA3 -0.189 3.767 3.960 -0.005 0.000 0.188 66 G C 0.104 175.005 174.900 0.001 0.000 1.000 66 G CA -0.543 44.555 45.100 -0.003 0.000 0.672 66 G HN 0.099 nan 8.290 nan 0.000 0.483 67 L N 0.633 121.858 121.223 0.003 0.000 2.475 67 L HA 0.653 4.990 4.340 -0.005 0.000 0.253 67 L C 1.071 177.943 176.870 0.003 0.000 1.198 67 L CA -0.529 54.315 54.840 0.007 0.000 0.814 67 L CB 0.605 42.671 42.059 0.012 0.000 1.134 67 L HN 0.253 nan 8.230 nan 0.000 0.478 68 R N 0.463 120.967 120.500 0.007 0.000 2.343 68 R HA 0.631 4.968 4.340 -0.005 0.000 0.320 68 R C -1.872 174.432 176.300 0.008 0.000 0.956 68 R CA -0.489 55.614 56.100 0.005 0.000 0.836 68 R CB 1.198 31.502 30.300 0.007 0.000 1.151 68 R HN 0.425 nan 8.270 nan 0.000 0.450 69 V N 4.909 124.826 119.914 0.005 0.000 2.376 69 V HA 0.305 4.421 4.120 -0.005 0.000 0.287 69 V C -0.701 175.397 176.094 0.006 0.000 1.015 69 V CA -0.908 61.396 62.300 0.007 0.000 0.834 69 V CB 1.517 33.342 31.823 0.002 0.000 1.001 69 V HN 0.807 nan 8.190 nan 0.000 0.428 70 D N 3.347 123.753 120.400 0.010 0.000 2.181 70 D HA 0.787 5.424 4.640 -0.005 0.000 0.248 70 D C 0.301 176.608 176.300 0.011 0.000 1.020 70 D CA 0.072 54.078 54.000 0.009 0.000 0.891 70 D CB 2.631 43.437 40.800 0.011 0.000 1.187 70 D HN 0.879 nan 8.370 nan 0.000 0.443 71 G N -0.855 107.950 108.800 0.009 0.000 2.368 71 G HA2 0.129 4.086 3.960 -0.005 0.000 0.303 71 G HA3 0.129 4.086 3.960 -0.005 0.000 0.303 71 G C -0.165 174.740 174.900 0.008 0.000 1.590 71 G CA -0.265 44.841 45.100 0.011 0.000 0.938 71 G HN 0.368 nan 8.290 nan 0.000 0.675 72 V N 0.985 120.904 119.914 0.009 0.000 2.795 72 V HA 0.560 4.677 4.120 -0.005 0.000 0.243 72 V C 1.493 177.592 176.094 0.009 0.000 1.069 72 V CA 2.846 65.151 62.300 0.007 0.000 1.089 72 V CB -0.111 31.716 31.823 0.007 0.000 0.756 72 V HN 1.474 nan 8.190 nan 0.000 0.471 73 G N -0.019 108.788 108.800 0.011 0.000 3.271 73 G HA2 0.203 4.160 3.960 -0.005 0.000 0.174 73 G HA3 0.203 4.160 3.960 -0.005 0.000 0.174 73 G C 1.009 175.917 174.900 0.013 0.000 1.385 73 G CA 0.637 45.744 45.100 0.012 0.000 0.979 73 G HN 0.623 nan 8.290 nan 0.000 0.610 74 S N -0.408 115.302 115.700 0.016 0.000 2.603 74 S HA 0.203 4.670 4.470 -0.005 0.000 0.220 74 S C 0.025 174.639 174.600 0.024 0.000 0.967 74 S CA 0.257 58.468 58.200 0.018 0.000 0.920 74 S CB 0.162 63.374 63.200 0.019 0.000 0.773 74 S HN 0.271 nan 8.310 nan 0.000 0.529 75 E N 1.505 121.718 120.200 0.023 0.000 2.092 75 E HA 0.619 4.965 4.350 -0.005 0.000 0.271 75 E C -0.967 175.650 176.600 0.029 0.000 0.919 75 E CA -0.204 56.213 56.400 0.030 0.000 0.760 75 E CB 1.237 30.953 29.700 0.027 0.000 1.106 75 E HN 0.401 nan 8.360 nan 0.000 0.408 76 L N 1.937 123.181 121.223 0.036 0.000 2.346 76 L HA 0.646 4.983 4.340 -0.005 0.000 0.274 76 L C -0.057 176.840 176.870 0.044 0.000 1.007 76 L CA -0.827 54.032 54.840 0.031 0.000 0.818 76 L CB 2.125 44.197 42.059 0.022 0.000 1.284 76 L HN 0.279 nan 8.230 nan 0.000 0.424 77 T N 1.688 116.264 114.554 0.036 0.000 2.812 77 T HA 0.547 4.894 4.350 -0.005 0.000 0.282 77 T C -0.432 174.290 174.700 0.036 0.000 0.990 77 T CA -0.422 61.704 62.100 0.042 0.000 0.960 77 T CB 1.967 70.855 68.868 0.033 0.000 0.948 77 T HN 0.192 nan 8.240 nan 0.000 0.438 78 V N 3.751 123.693 119.914 0.046 0.000 2.435 78 V HA 0.848 4.965 4.120 -0.005 0.000 0.290 78 V C 0.067 176.184 176.094 0.038 0.000 1.030 78 V CA -0.484 61.838 62.300 0.038 0.000 0.881 78 V CB 1.501 33.348 31.823 0.041 0.000 0.983 78 V HN 1.124 nan 8.190 nan 0.000 0.445 79 S N 2.526 118.243 115.700 0.028 0.000 2.672 79 S HA 0.983 5.450 4.470 -0.005 0.000 0.271 79 S C -0.163 174.449 174.600 0.020 0.000 1.171 79 S CA 0.041 58.256 58.200 0.026 0.000 0.817 79 S CB 1.618 64.832 63.200 0.022 0.000 1.150 79 S HN 2.224 nan 8.310 nan 0.000 0.478 80 G N 0.690 109.502 108.800 0.019 0.000 2.472 80 G HA2 0.124 4.081 3.960 -0.005 0.000 0.205 80 G HA3 0.124 4.081 3.960 -0.005 0.000 0.205 80 G C -1.254 173.657 174.900 0.018 0.000 1.270 80 G CA -0.375 44.735 45.100 0.016 0.000 0.974 80 G HN 1.021 nan 8.290 nan 0.000 0.542 81 R N -1.161 119.349 120.500 0.017 0.000 2.855 81 R HA 0.701 5.038 4.340 -0.005 0.000 0.266 81 R C -0.695 175.617 176.300 0.020 0.000 1.034 81 R CA -1.097 55.015 56.100 0.020 0.000 0.944 81 R CB 1.408 31.719 30.300 0.018 0.000 1.219 81 R HN 0.482 nan 8.270 nan 0.000 0.474 82 I N 1.889 122.474 120.570 0.026 0.000 2.371 82 I HA 0.087 4.254 4.170 -0.005 0.000 0.290 82 I C 0.038 176.170 176.117 0.025 0.000 1.028 82 I CA 0.377 61.694 61.300 0.028 0.000 1.345 82 I CB 0.623 38.648 38.000 0.041 0.000 1.407 82 I HN 0.698 nan 8.210 nan 0.000 0.501 83 E N 5.784 125.995 120.200 0.018 0.000 2.705 83 E HA 0.256 4.603 4.350 -0.005 0.000 0.373 83 E C -2.838 173.765 176.600 0.005 0.000 1.071 83 E CA -1.397 55.011 56.400 0.013 0.000 0.790 83 E CB -0.087 29.620 29.700 0.011 0.000 1.478 83 E HN 0.198 nan 8.360 nan 0.000 0.391 84 P HA 0.180 nan 4.420 nan 0.000 0.268 84 P C 0.545 177.838 177.300 -0.013 0.000 1.205 84 P CA 0.161 63.254 63.100 -0.011 0.000 0.771 84 P CB 1.004 32.696 31.700 -0.014 0.000 0.858 85 G N 3.111 111.898 108.800 -0.021 0.000 2.580 85 G HA2 0.422 4.379 3.960 -0.005 0.000 0.278 85 G HA3 0.422 4.379 3.960 -0.005 0.000 0.278 85 G C -2.554 172.333 174.900 -0.021 0.000 1.212 85 G CA -1.432 43.657 45.100 -0.018 0.000 0.939 85 G HN 0.308 nan 8.290 nan 0.000 0.513 86 P HA 0.179 nan 4.420 nan 0.000 0.265 86 P C 0.906 178.190 177.300 -0.026 0.000 1.187 86 P CA 1.468 64.558 63.100 -0.017 0.000 0.766 86 P CB 0.755 32.447 31.700 -0.013 0.000 0.820 87 G N 1.431 110.214 108.800 -0.029 0.000 2.168 87 G HA2 -0.205 3.752 3.960 -0.005 0.000 0.257 87 G HA3 -0.205 3.752 3.960 -0.005 0.000 0.257 87 G C 0.471 175.336 174.900 -0.060 0.000 0.997 87 G CA 0.008 45.085 45.100 -0.039 0.000 0.708 87 G HN 0.857 nan 8.290 nan 0.000 0.520 88 A N -0.142 122.638 122.820 -0.067 0.000 2.546 88 A HA 0.591 4.908 4.320 -0.005 0.000 0.243 88 A C 0.855 178.346 177.584 -0.154 0.000 1.063 88 A CA 1.042 53.019 52.037 -0.100 0.000 0.757 88 A CB 0.245 19.192 19.000 -0.088 0.000 0.991 88 A HN 0.946 nan 8.150 nan 0.000 0.503 89 R N 2.978 123.363 120.500 -0.192 0.000 2.569 89 R HA 0.431 4.768 4.340 -0.005 0.000 0.293 89 R C -1.922 174.204 176.300 -0.290 0.000 1.186 89 R CA -0.400 55.553 56.100 -0.245 0.000 0.956 89 R CB 1.392 31.596 30.300 -0.161 0.000 1.196 89 R HN 0.523 nan 8.270 nan 0.000 0.444 90 V N 3.597 123.223 119.914 -0.481 0.000 2.461 90 V HA 0.097 4.214 4.120 -0.005 0.000 0.275 90 V C 0.128 176.059 176.094 -0.271 0.000 1.047 90 V CA -0.279 61.764 62.300 -0.428 0.000 0.955 90 V CB 1.325 32.719 31.823 -0.714 0.000 0.988 90 V HN 0.608 nan 8.190 nan 0.000 0.471 91 D N 3.576 123.880 120.400 -0.159 0.000 2.313 91 D HA 0.207 4.844 4.640 -0.005 0.000 0.239 91 D C 0.596 176.860 176.300 -0.060 0.000 1.142 91 D CA -0.290 53.652 54.000 -0.097 0.000 0.847 91 D CB 1.260 42.013 40.800 -0.078 0.000 1.082 91 D HN 0.552 nan 8.370 nan 0.000 0.480 92 C N 3.208 122.491 119.300 -0.027 0.000 2.673 92 C HA 0.482 4.938 4.460 -0.005 0.000 0.264 92 C C 1.640 176.615 174.990 -0.025 0.000 1.304 92 C CA 0.270 59.288 59.018 0.001 0.000 1.727 92 C CB -1.334 26.440 27.740 0.057 0.000 1.932 92 C HN 0.901 nan 8.230 nan 0.000 0.563 93 G N 1.124 109.905 108.800 -0.031 0.000 2.574 93 G HA2 -0.284 3.672 3.960 -0.005 0.000 0.286 93 G HA3 -0.284 3.672 3.960 -0.005 0.000 0.286 93 G C 0.069 174.948 174.900 -0.036 0.000 1.212 93 G CA 0.390 45.466 45.100 -0.040 0.000 0.979 93 G HN 0.423 nan 8.290 nan 0.000 0.557 94 L N 1.735 122.925 121.223 -0.055 0.000 2.910 94 L HA 0.725 5.062 4.340 -0.005 0.000 0.252 94 L C 1.727 178.544 176.870 -0.090 0.000 1.195 94 L CA 1.004 55.810 54.840 -0.056 0.000 1.003 94 L CB -0.200 41.828 42.059 -0.052 0.000 1.328 94 L HN 1.271 nan 8.230 nan 0.000 0.540 95 A N -0.621 122.139 122.820 -0.101 0.000 2.376 95 A HA 0.514 4.831 4.320 -0.005 0.000 0.298 95 A C 1.506 178.998 177.584 -0.154 0.000 1.271 95 A CA 0.291 52.242 52.037 -0.143 0.000 0.926 95 A CB -0.012 18.905 19.000 -0.139 0.000 1.141 95 A HN 0.450 nan 8.150 nan 0.000 0.539 96 G N 1.788 110.473 108.800 -0.192 0.000 2.432 96 G HA2 -0.211 3.746 3.960 -0.005 0.000 0.219 96 G HA3 -0.211 3.746 3.960 -0.005 0.000 0.219 96 G C 1.520 176.217 174.900 -0.337 0.000 1.135 96 G CA 1.596 46.573 45.100 -0.205 0.000 0.767 96 G HN 0.864 nan 8.290 nan 0.000 0.550 97 T N -0.784 113.467 114.554 -0.505 0.000 2.833 97 T HA -0.076 4.271 4.350 -0.005 0.000 0.269 97 T C 2.221 176.516 174.700 -0.674 0.000 1.054 97 T CA 1.358 62.846 62.100 -1.019 0.000 1.135 97 T CB -0.271 68.044 68.868 -0.922 0.000 0.869 97 T HN 0.034 nan 8.240 nan 0.000 0.466 98 V N 1.110 120.851 119.914 -0.287 0.000 2.407 98 V HA 0.062 4.178 4.120 -0.005 0.000 0.245 98 V C 2.478 178.594 176.094 0.036 0.000 1.041 98 V CA 1.122 63.374 62.300 -0.080 0.000 1.040 98 V CB -0.636 31.167 31.823 -0.034 0.000 0.671 98 V HN 0.391 nan 8.190 nan 0.000 0.455 99 L N 0.181 121.416 121.223 0.020 0.000 2.079 99 L HA -0.150 4.187 4.340 -0.005 0.000 0.210 99 L C 2.359 179.292 176.870 0.105 0.000 1.081 99 L CA 2.085 56.991 54.840 0.110 0.000 0.752 99 L CB -0.411 41.702 42.059 0.091 0.000 0.896 99 L HN 0.150 nan 8.230 nan 0.000 0.433 100 R N -2.269 118.253 120.500 0.037 0.000 2.206 100 R HA 0.143 4.480 4.340 -0.005 0.000 0.198 100 R C 1.721 178.204 176.300 0.305 0.000 0.986 100 R CA 0.655 56.844 56.100 0.149 0.000 1.029 100 R CB -0.215 30.174 30.300 0.149 0.000 0.966 100 R HN 0.256 nan 8.270 nan 0.000 0.487 101 F N -0.995 118.979 119.950 0.041 0.000 2.619 101 F HA 0.151 4.675 4.527 -0.004 0.000 0.293 101 F C 1.785 177.618 175.800 0.055 0.000 1.119 101 F CA 0.011 58.027 58.000 0.027 0.000 1.445 101 F CB -0.287 38.711 39.000 -0.002 0.000 1.119 101 F HN -0.255 nan 8.300 nan 0.000 0.573 102 V N 0.396 120.475 119.914 0.275 0.000 2.992 102 V HA -0.009 4.108 4.120 -0.005 0.000 0.250 102 V C -0.734 175.524 176.094 0.274 0.000 1.090 102 V CA 0.778 63.248 62.300 0.283 0.000 1.101 102 V CB -1.332 30.701 31.823 0.349 0.000 0.743 102 V HN 0.072 nan 8.190 nan 0.000 0.468 103 P HA -0.059 nan 4.420 nan 0.000 0.217 103 P C -1.449 175.905 177.300 0.089 0.000 1.150 103 P CA 1.576 64.623 63.100 -0.089 0.000 0.832 103 P CB -1.144 30.362 31.700 -0.324 0.000 0.787 104 P HA -0.129 nan 4.420 nan 0.000 0.218 104 P C 1.492 178.910 177.300 0.196 0.000 1.148 104 P CA 1.168 64.368 63.100 0.167 0.000 0.822 104 P CB -0.523 31.297 31.700 0.200 0.000 0.784 105 L N -0.908 120.422 121.223 0.178 0.000 2.017 105 L HA -0.151 4.186 4.340 -0.005 0.000 0.208 105 L C 2.350 179.324 176.870 0.174 0.000 1.073 105 L CA 1.726 56.663 54.840 0.163 0.000 0.745 105 L CB -1.256 40.893 42.059 0.151 0.000 0.894 105 L HN -0.044 nan 8.230 nan 0.000 0.432 106 A N -0.399 122.559 122.820 0.230 0.000 2.216 106 A HA 0.069 4.386 4.320 -0.005 0.000 0.214 106 A C 2.272 179.956 177.584 0.166 0.000 1.160 106 A CA 1.220 53.386 52.037 0.216 0.000 0.725 106 A CB -0.441 18.765 19.000 0.343 0.000 0.784 106 A HN 0.411 nan 8.150 nan 0.000 0.472 107 A N -0.767 122.143 122.820 0.151 0.000 2.132 107 A HA 0.307 4.624 4.320 -0.005 0.000 0.213 107 A C 1.824 179.468 177.584 0.101 0.000 1.154 107 A CA 0.485 52.584 52.037 0.103 0.000 0.753 107 A CB -0.276 18.765 19.000 0.068 0.000 0.826 107 A HN 0.435 nan 8.150 nan 0.000 0.469 108 L N -0.611 120.694 121.223 0.137 0.000 2.313 108 L HA 0.098 4.435 4.340 -0.005 0.000 0.214 108 L C 1.896 178.821 176.870 0.091 0.000 1.119 108 L CA 0.282 55.203 54.840 0.134 0.000 0.809 108 L CB -0.368 41.778 42.059 0.146 0.000 0.933 108 L HN 0.452 nan 8.230 nan 0.000 0.449 109 G N -1.100 107.750 108.800 0.083 0.000 2.494 109 G HA2 0.214 4.171 3.960 -0.005 0.000 0.270 109 G HA3 0.214 4.171 3.960 -0.005 0.000 0.270 109 G C 0.435 175.366 174.900 0.052 0.000 1.423 109 G CA 0.393 45.531 45.100 0.063 0.000 1.055 109 G HN 0.157 nan 8.290 nan 0.000 0.536 110 S N -1.860 113.865 115.700 0.042 0.000 3.073 110 S HA 0.400 4.867 4.470 -0.005 0.000 0.252 110 S C -0.311 174.306 174.600 0.029 0.000 0.953 110 S CA 0.202 58.422 58.200 0.034 0.000 1.105 110 S CB -0.288 62.929 63.200 0.027 0.000 1.070 110 S HN 1.494 nan 8.310 nan 0.000 0.574 111 V N -2.284 117.650 119.914 0.033 0.000 2.932 111 V HA 0.737 4.854 4.120 -0.005 0.000 0.307 111 V C -3.243 172.872 176.094 0.035 0.000 1.147 111 V CA -2.656 59.660 62.300 0.027 0.000 0.951 111 V CB 1.053 32.886 31.823 0.016 0.000 1.031 111 V HN -0.005 nan 8.190 nan 0.000 0.426 112 P HA 0.226 nan 4.420 nan 0.000 0.266 112 P C -0.779 176.537 177.300 0.026 0.000 1.186 112 P CA 0.289 63.414 63.100 0.042 0.000 0.767 112 P CB 0.548 32.265 31.700 0.029 0.000 0.820 113 V N 2.740 122.681 119.914 0.045 0.000 2.610 113 V HA 0.191 4.307 4.120 -0.005 0.000 0.298 113 V C 0.024 176.110 176.094 -0.014 0.000 1.067 113 V CA -0.502 61.781 62.300 -0.028 0.000 0.894 113 V CB 2.003 33.803 31.823 -0.038 0.000 1.015 113 V HN 0.427 nan 8.190 nan 0.000 0.432 114 T N 5.304 119.781 114.554 -0.129 0.000 2.913 114 T HA 0.583 4.929 4.350 -0.005 0.000 0.297 114 T C -0.627 173.838 174.700 -0.391 0.000 1.029 114 T CA 0.372 62.390 62.100 -0.137 0.000 1.104 114 T CB 0.272 69.066 68.868 -0.123 0.000 0.964 114 T HN 0.303 nan 8.240 nan 0.000 0.532 115 F N 1.965 121.628 119.950 -0.478 0.000 2.482 115 F HA 0.537 5.061 4.527 -0.005 0.000 0.331 115 F C 0.408 175.944 175.800 -0.440 0.000 1.115 115 F CA -0.979 56.668 58.000 -0.589 0.000 0.955 115 F CB 1.780 40.084 39.000 -1.160 0.000 1.136 115 F HN 0.434 nan 8.300 nan 0.000 0.452 116 D N 0.561 120.879 120.400 -0.137 0.000 2.559 116 D HA 0.788 5.425 4.640 -0.005 0.000 0.250 116 D C -0.579 175.701 176.300 -0.034 0.000 1.135 116 D CA -0.344 53.612 54.000 -0.073 0.000 0.955 116 D CB 2.535 43.290 40.800 -0.076 0.000 1.442 116 D HN 0.737 nan 8.370 nan 0.000 0.471 117 G N 0.104 108.897 108.800 -0.011 0.000 2.600 117 G HA2 0.381 4.338 3.960 -0.005 0.000 0.293 117 G HA3 0.381 4.338 3.960 -0.005 0.000 0.293 117 G C -1.316 173.583 174.900 -0.002 0.000 1.408 117 G CA -0.718 44.380 45.100 -0.003 0.000 0.782 117 G HN 0.385 nan 8.290 nan 0.000 0.482 118 D N 0.023 120.420 120.400 -0.005 0.000 2.443 118 D HA 0.037 4.674 4.640 -0.005 0.000 0.234 118 D C 1.604 177.908 176.300 0.006 0.000 1.172 118 D CA 0.060 54.058 54.000 -0.004 0.000 0.878 118 D CB 1.152 41.947 40.800 -0.008 0.000 1.204 118 D HN 0.595 nan 8.370 nan 0.000 0.453 119 Q N 0.961 120.765 119.800 0.006 0.000 2.173 119 Q HA -0.313 4.024 4.340 -0.005 0.000 0.208 119 Q C 1.651 177.662 176.000 0.018 0.000 0.989 119 Q CA 1.664 57.475 55.803 0.012 0.000 0.872 119 Q CB 0.029 28.772 28.738 0.008 0.000 0.909 119 Q HN 0.566 nan 8.270 nan 0.000 0.420 120 Q N -0.925 118.885 119.800 0.017 0.000 2.297 120 Q HA -0.063 4.274 4.340 -0.005 0.000 0.204 120 Q C 1.720 177.735 176.000 0.026 0.000 0.962 120 Q CA 0.906 56.723 55.803 0.023 0.000 0.879 120 Q CB -0.050 28.703 28.738 0.025 0.000 0.947 120 Q HN 0.526 nan 8.270 nan 0.000 0.462 121 A N 0.463 123.297 122.820 0.023 0.000 2.066 121 A HA -0.064 4.253 4.320 -0.005 0.000 0.218 121 A C 1.752 179.366 177.584 0.049 0.000 1.157 121 A CA 0.560 52.615 52.037 0.030 0.000 0.670 121 A CB -0.158 18.857 19.000 0.024 0.000 0.804 121 A HN 0.284 nan 8.150 nan 0.000 0.453 122 R N -0.531 119.998 120.500 0.048 0.000 2.316 122 R HA -0.020 4.316 4.340 -0.005 0.000 0.202 122 R C 1.621 177.955 176.300 0.056 0.000 1.029 122 R CA 0.587 56.723 56.100 0.061 0.000 1.018 122 R CB -0.164 30.168 30.300 0.053 0.000 0.888 122 R HN 0.452 nan 8.270 nan 0.000 0.471 123 G N 0.424 109.252 108.800 0.047 0.000 3.233 123 G HA2 0.027 3.984 3.960 -0.005 0.000 0.227 123 G HA3 0.027 3.984 3.960 -0.005 0.000 0.227 123 G C 0.193 175.124 174.900 0.051 0.000 1.175 123 G CA -0.324 44.802 45.100 0.044 0.000 0.781 123 G HN 0.095 nan 8.290 nan 0.000 0.542 124 R N 0.132 120.670 120.500 0.063 0.000 2.664 124 R HA 0.397 4.734 4.340 -0.005 0.000 0.286 124 R C -2.647 173.717 176.300 0.106 0.000 0.967 124 R CA -1.800 54.344 56.100 0.073 0.000 0.933 124 R CB 1.242 31.577 30.300 0.058 0.000 1.146 124 R HN -0.056 nan 8.270 nan 0.000 0.468 125 P HA -0.041 nan 4.420 nan 0.000 0.262 125 P C -0.299 177.205 177.300 0.340 0.000 1.182 125 P CA 0.433 63.676 63.100 0.237 0.000 0.761 125 P CB 0.510 32.384 31.700 0.290 0.000 0.795 126 I N 2.501 123.189 120.570 0.196 0.000 5.285 126 I HA 0.157 4.324 4.170 -0.005 0.000 0.351 126 I C 1.728 177.690 176.117 -0.258 0.000 1.206 126 I CA 0.702 62.030 61.300 0.046 0.000 1.527 126 I CB -0.661 37.353 38.000 0.023 0.000 1.694 126 I HN 0.258 nan 8.210 nan 0.000 0.585 127 A N 2.013 124.715 122.820 -0.197 0.000 1.917 127 A HA -0.059 4.258 4.320 -0.005 0.000 0.219 127 A C -0.272 177.109 177.584 -0.339 0.000 1.182 127 A CA 2.402 54.293 52.037 -0.243 0.000 0.633 127 A CB -2.060 16.860 19.000 -0.134 0.000 0.819 127 A HN 0.398 nan 8.150 nan 0.000 0.448 128 P HA -0.118 nan 4.420 nan 0.000 0.218 128 P C 1.540 178.521 177.300 -0.532 0.000 1.149 128 P CA 0.872 63.698 63.100 -0.456 0.000 0.817 128 P CB -0.021 31.379 31.700 -0.499 0.000 0.785 129 L N -1.488 119.271 121.223 -0.773 0.000 2.240 129 L HA 0.002 4.339 4.340 -0.005 0.000 0.211 129 L C 1.913 178.575 176.870 -0.347 0.000 1.106 129 L CA 1.480 56.017 54.840 -0.505 0.000 0.793 129 L CB -1.019 40.763 42.059 -0.461 0.000 0.927 129 L HN -0.135 nan 8.230 nan 0.000 0.446 130 L N -0.756 120.227 121.223 -0.400 0.000 2.109 130 L HA -0.127 4.210 4.340 -0.005 0.000 0.207 130 L C 2.108 178.828 176.870 -0.250 0.000 1.086 130 L CA 0.936 55.556 54.840 -0.367 0.000 0.760 130 L CB -0.814 40.955 42.059 -0.484 0.000 0.910 130 L HN 0.237 nan 8.230 nan 0.000 0.437 131 D N 0.498 120.760 120.400 -0.230 0.000 2.117 131 D HA -0.146 4.491 4.640 -0.005 0.000 0.197 131 D C 2.232 178.449 176.300 -0.138 0.000 0.987 131 D CA 1.501 55.404 54.000 -0.163 0.000 0.829 131 D CB 0.085 40.796 40.800 -0.148 0.000 0.961 131 D HN 0.281 nan 8.370 nan 0.000 0.460 132 A N 0.464 123.193 122.820 -0.152 0.000 1.930 132 A HA -0.104 4.213 4.320 -0.005 0.000 0.217 132 A C 2.402 179.917 177.584 -0.114 0.000 1.175 132 A CA 0.803 52.772 52.037 -0.113 0.000 0.627 132 A CB -0.695 18.245 19.000 -0.100 0.000 0.815 132 A HN 0.209 nan 8.150 nan 0.000 0.443 133 L N -1.140 120.002 121.223 -0.135 0.000 2.046 133 L HA -0.191 4.146 4.340 -0.005 0.000 0.208 133 L C 2.871 179.667 176.870 -0.123 0.000 1.077 133 L CA 1.427 56.188 54.840 -0.131 0.000 0.747 133 L CB -0.464 41.519 42.059 -0.126 0.000 0.896 133 L HN 0.359 nan 8.230 nan 0.000 0.432 134 R N 0.156 120.588 120.500 -0.113 0.000 2.103 134 R HA -0.209 4.128 4.340 -0.005 0.000 0.242 134 R C 2.058 178.307 176.300 -0.085 0.000 1.142 134 R CA 1.705 57.751 56.100 -0.091 0.000 0.960 134 R CB -0.298 29.951 30.300 -0.085 0.000 0.858 134 R HN 0.457 nan 8.270 nan 0.000 0.439 135 E N 0.269 120.418 120.200 -0.086 0.000 2.338 135 E HA -0.115 4.232 4.350 -0.005 0.000 0.197 135 E C 1.415 177.966 176.600 -0.083 0.000 1.007 135 E CA 0.593 56.949 56.400 -0.072 0.000 0.849 135 E CB 0.107 29.770 29.700 -0.061 0.000 0.774 135 E HN 0.334 nan 8.360 nan 0.000 0.506 136 L N -1.017 120.137 121.223 -0.115 0.000 2.592 136 L HA 0.212 4.549 4.340 -0.005 0.000 0.227 136 L C 1.424 178.197 176.870 -0.162 0.000 1.127 136 L CA 0.370 55.115 54.840 -0.159 0.000 0.884 136 L CB 0.492 42.400 42.059 -0.251 0.000 1.065 136 L HN 0.314 nan 8.230 nan 0.000 0.457 137 G N -0.608 108.121 108.800 -0.118 0.000 2.380 137 G HA2 -0.202 3.755 3.960 -0.005 0.000 0.197 137 G HA3 -0.202 3.755 3.960 -0.005 0.000 0.197 137 G C 0.173 175.026 174.900 -0.078 0.000 1.001 137 G CA -0.209 44.833 45.100 -0.095 0.000 0.668 137 G HN -0.014 nan 8.290 nan 0.000 0.483 138 V N 2.157 122.018 119.914 -0.088 0.000 2.488 138 V HA 0.680 4.797 4.120 -0.005 0.000 0.277 138 V C 1.019 177.089 176.094 -0.039 0.000 1.046 138 V CA -0.254 62.011 62.300 -0.057 0.000 0.986 138 V CB 1.060 32.845 31.823 -0.063 0.000 0.989 138 V HN 1.150 nan 8.190 nan 0.000 0.475 139 A N 5.324 128.135 122.820 -0.016 0.000 2.451 139 A HA 0.553 4.870 4.320 -0.005 0.000 0.266 139 A C -0.235 177.359 177.584 0.016 0.000 1.119 139 A CA -0.105 51.930 52.037 -0.003 0.000 0.786 139 A CB 0.048 19.053 19.000 0.008 0.000 1.061 139 A HN 0.769 nan 8.150 nan 0.000 0.503 140 V N 4.083 124.001 119.914 0.006 0.000 2.483 140 V HA 0.258 4.375 4.120 -0.005 0.000 0.297 140 V C -0.950 175.166 176.094 0.037 0.000 1.027 140 V CA -0.837 61.480 62.300 0.028 0.000 0.855 140 V CB 1.893 33.691 31.823 -0.042 0.000 0.995 140 V HN 0.845 nan 8.190 nan 0.000 0.424 141 D N 4.390 124.843 120.400 0.088 0.000 2.380 141 D HA 0.598 5.234 4.640 -0.005 0.000 0.230 141 D C 0.516 176.885 176.300 0.115 0.000 1.154 141 D CA 0.982 55.031 54.000 0.082 0.000 0.859 141 D CB 1.373 42.224 40.800 0.084 0.000 1.045 141 D HN 1.028 nan 8.370 nan 0.000 0.495 142 G N 1.259 110.097 108.800 0.062 0.000 2.617 142 G HA2 -0.090 3.867 3.960 -0.005 0.000 0.686 142 G HA3 -0.090 3.867 3.960 -0.005 0.000 0.686 142 G C 0.402 175.307 174.900 0.008 0.000 1.214 142 G CA -0.197 44.945 45.100 0.070 0.000 0.796 142 G HN 0.392 nan 8.290 nan 0.000 0.654 143 T N -1.603 112.943 114.554 -0.012 0.000 3.129 143 T HA 0.653 5.000 4.350 -0.005 0.000 0.267 143 T C 1.051 175.703 174.700 -0.081 0.000 1.018 143 T CA 0.985 63.032 62.100 -0.088 0.000 0.903 143 T CB 0.587 69.413 68.868 -0.070 0.000 1.067 143 T HN 2.260 nan 8.240 nan 0.000 0.549 144 G N 0.586 109.401 108.800 0.026 0.000 2.608 144 G HA2 0.544 4.500 3.960 -0.005 0.000 0.291 144 G HA3 0.544 4.500 3.960 -0.005 0.000 0.291 144 G C -1.475 173.607 174.900 0.303 0.000 1.425 144 G CA -1.193 43.973 45.100 0.110 0.000 0.787 144 G HN 0.336 nan 8.290 nan 0.000 0.484 145 L N 2.002 123.405 121.223 0.301 0.000 2.499 145 L HA 0.252 4.588 4.340 -0.005 0.000 0.273 145 L C -1.627 175.324 176.870 0.135 0.000 1.195 145 L CA -1.023 53.959 54.840 0.238 0.000 0.882 145 L CB 0.605 42.759 42.059 0.158 0.000 1.133 145 L HN 0.288 nan 8.230 nan 0.000 0.483 146 P HA 0.389 nan 4.420 nan 0.000 0.288 146 P C -1.117 176.271 177.300 0.147 0.000 1.267 146 P CA -0.346 62.789 63.100 0.058 0.000 0.815 146 P CB 1.090 32.792 31.700 0.003 0.000 0.989 147 F N -0.505 119.507 119.950 0.104 0.000 2.640 147 F HA 0.802 5.327 4.527 -0.003 0.000 0.324 147 F C -0.340 175.549 175.800 0.148 0.000 1.077 147 F CA -1.512 56.538 58.000 0.083 0.000 0.965 147 F CB 1.733 40.751 39.000 0.029 0.000 1.351 147 F HN 0.060 nan 8.300 nan 0.000 0.487 148 R N 1.126 121.834 120.500 0.346 0.000 2.561 148 R HA 0.703 5.040 4.340 -0.005 0.000 0.297 148 R C -1.766 174.708 176.300 0.290 0.000 0.969 148 R CA -0.946 55.310 56.100 0.261 0.000 0.879 148 R CB 2.443 32.825 30.300 0.137 0.000 1.178 148 R HN 0.675 nan 8.270 nan 0.000 0.445 149 V N 4.035 124.143 119.914 0.324 0.000 2.481 149 V HA 0.470 4.587 4.120 -0.005 0.000 0.286 149 V C 0.101 176.290 176.094 0.158 0.000 1.042 149 V CA -0.555 61.890 62.300 0.241 0.000 0.928 149 V CB 1.499 33.500 31.823 0.296 0.000 0.986 149 V HN 0.681 nan 8.190 nan 0.000 0.462 150 R N 3.177 123.738 120.500 0.102 0.000 2.472 150 R HA 0.510 4.847 4.340 -0.005 0.000 0.294 150 R C 0.104 176.433 176.300 0.049 0.000 1.243 150 R CA -0.359 55.782 56.100 0.069 0.000 1.023 150 R CB 1.822 32.153 30.300 0.052 0.000 1.157 150 R HN 0.878 nan 8.270 nan 0.000 0.530 151 G N 1.108 109.940 108.800 0.054 0.000 2.425 151 G HA2 0.138 4.095 3.960 -0.005 0.000 0.302 151 G HA3 0.138 4.095 3.960 -0.005 0.000 0.302 151 G C 0.223 175.141 174.900 0.030 0.000 1.159 151 G CA -0.695 44.428 45.100 0.038 0.000 0.865 151 G HN 0.603 nan 8.290 nan 0.000 0.515 152 N N 0.230 118.942 118.700 0.020 0.000 2.546 152 N HA 0.218 4.954 4.740 -0.005 0.000 0.286 152 N C 1.198 176.721 175.510 0.022 0.000 1.259 152 N CA -0.191 52.870 53.050 0.018 0.000 0.939 152 N CB 0.591 39.084 38.487 0.011 0.000 1.243 152 N HN 1.063 nan 8.380 nan 0.000 0.511 153 G N -0.414 108.405 108.800 0.031 0.000 2.166 153 G HA2 -0.302 3.655 3.960 -0.005 0.000 0.260 153 G HA3 -0.302 3.655 3.960 -0.005 0.000 0.260 153 G C 0.026 174.950 174.900 0.040 0.000 0.986 153 G CA 0.854 45.976 45.100 0.036 0.000 0.683 153 G HN 0.985 nan 8.290 nan 0.000 0.527 154 S N -1.044 114.677 115.700 0.035 0.000 2.638 154 S HA 0.870 5.337 4.470 -0.005 0.000 0.274 154 S C -1.211 173.399 174.600 0.017 0.000 1.157 154 S CA -0.302 57.919 58.200 0.034 0.000 0.826 154 S CB 2.733 65.945 63.200 0.020 0.000 1.139 154 S HN 1.536 nan 8.310 nan 0.000 0.474 155 L N 1.480 122.710 121.223 0.011 0.000 3.111 155 L HA 0.471 4.808 4.340 -0.005 0.000 0.259 155 L C 0.276 177.114 176.870 -0.052 0.000 0.946 155 L CA 0.198 54.991 54.840 -0.079 0.000 1.119 155 L CB 1.095 43.055 42.059 -0.164 0.000 1.698 155 L HN 1.082 nan 8.230 nan 0.000 0.540 156 A N 3.411 126.192 122.820 -0.065 0.000 2.072 156 A HA 0.530 4.847 4.320 -0.005 0.000 0.216 156 A C 1.319 178.910 177.584 0.011 0.000 1.156 156 A CA 1.490 53.528 52.037 0.001 0.000 0.701 156 A CB -0.226 18.772 19.000 -0.003 0.000 0.816 156 A HN 1.923 nan 8.150 nan 0.000 0.458 157 G N -1.664 107.043 108.800 -0.154 0.000 2.509 157 G HA2 0.292 4.248 3.960 -0.005 0.000 0.256 157 G HA3 0.292 4.248 3.960 -0.005 0.000 0.256 157 G C 1.161 176.047 174.900 -0.022 0.000 1.152 157 G CA 0.633 45.661 45.100 -0.121 0.000 0.951 157 G HN 2.429 nan 8.290 nan 0.000 0.559 158 G N -3.066 105.771 108.800 0.062 0.000 2.395 158 G HA2 0.463 4.420 3.960 -0.005 0.000 0.201 158 G HA3 0.463 4.420 3.960 -0.005 0.000 0.201 158 G C -0.166 174.768 174.900 0.056 0.000 1.206 158 G CA 0.632 45.756 45.100 0.041 0.000 1.210 158 G HN 2.105 nan 8.290 nan 0.000 0.557 159 T N -0.217 114.359 114.554 0.036 0.000 2.887 159 T HA 0.717 5.063 4.350 -0.005 0.000 0.288 159 T C -1.163 173.558 174.700 0.034 0.000 1.021 159 T CA 0.188 62.315 62.100 0.046 0.000 1.000 159 T CB 2.015 70.905 68.868 0.037 0.000 1.034 159 T HN 1.599 nan 8.240 nan 0.000 0.467 160 V N 1.587 121.532 119.914 0.052 0.000 2.891 160 V HA 0.778 4.895 4.120 -0.005 0.000 0.304 160 V C -1.231 174.896 176.094 0.053 0.000 1.171 160 V CA -0.714 61.606 62.300 0.034 0.000 0.943 160 V CB 1.806 33.641 31.823 0.020 0.000 1.037 160 V HN 1.143 nan 8.190 nan 0.000 0.427 161 A N 6.767 129.607 122.820 0.032 0.000 2.301 161 A HA 0.899 5.216 4.320 -0.005 0.000 0.312 161 A C -0.697 176.908 177.584 0.035 0.000 1.182 161 A CA -0.415 51.646 52.037 0.040 0.000 0.826 161 A CB 0.819 19.827 19.000 0.013 0.000 1.134 161 A HN 1.226 nan 8.150 nan 0.000 0.501 162 I N 1.363 121.975 120.570 0.070 0.000 2.722 162 I HA 0.359 4.526 4.170 -0.005 0.000 0.295 162 I C -1.628 174.564 176.117 0.124 0.000 1.161 162 I CA -0.679 60.662 61.300 0.069 0.000 1.032 162 I CB 2.276 40.322 38.000 0.077 0.000 1.244 162 I HN 0.704 nan 8.210 nan 0.000 0.421 163 D N 6.108 126.568 120.400 0.101 0.000 2.380 163 D HA 0.442 5.079 4.640 -0.005 0.000 0.230 163 D C 0.077 176.577 176.300 0.332 0.000 1.154 163 D CA -0.194 53.908 54.000 0.171 0.000 0.859 163 D CB 1.692 42.544 40.800 0.087 0.000 1.045 163 D HN 0.560 nan 8.370 nan 0.000 0.495 164 A N 3.072 126.202 122.820 0.516 0.000 2.507 164 A HA 0.178 4.495 4.320 -0.005 0.000 0.270 164 A C 1.757 179.446 177.584 0.175 0.000 1.318 164 A CA -0.332 51.944 52.037 0.399 0.000 0.924 164 A CB -0.113 19.030 19.000 0.239 0.000 1.061 164 A HN 0.496 nan 8.150 nan 0.000 0.516 165 S N 0.306 116.167 115.700 0.268 0.000 2.419 165 S HA -0.136 4.330 4.470 -0.005 0.000 0.235 165 S C 2.150 176.772 174.600 0.037 0.000 1.019 165 S CA 1.332 59.612 58.200 0.133 0.000 0.982 165 S CB -0.122 63.186 63.200 0.179 0.000 0.789 165 S HN 0.827 nan 8.310 nan 0.000 0.490 166 A N 0.012 122.883 122.820 0.085 0.000 2.016 166 A HA 0.280 4.597 4.320 -0.005 0.000 0.217 166 A C 1.130 178.630 177.584 -0.141 0.000 1.162 166 A CA 0.667 52.726 52.037 0.036 0.000 0.662 166 A CB 0.043 19.135 19.000 0.153 0.000 0.812 166 A HN 0.346 nan 8.150 nan 0.000 0.450 167 S N -1.850 113.619 115.700 -0.385 0.000 2.584 167 S HA 0.338 4.805 4.470 -0.005 0.000 0.280 167 S C 0.739 175.062 174.600 -0.461 0.000 1.162 167 S CA 0.184 58.077 58.200 -0.512 0.000 0.951 167 S CB 1.158 63.824 63.200 -0.891 0.000 1.108 167 S HN 0.742 nan 8.310 nan 0.000 0.464 168 S N 3.812 119.335 115.700 -0.296 0.000 2.442 168 S HA -0.152 4.314 4.470 -0.005 0.000 0.236 168 S C 1.281 175.784 174.600 -0.161 0.000 1.007 168 S CA 1.052 59.126 58.200 -0.209 0.000 0.965 168 S CB -0.508 62.609 63.200 -0.138 0.000 0.773 168 S HN 0.821 nan 8.310 nan 0.000 0.504 169 Q N -0.247 119.456 119.800 -0.161 0.000 2.500 169 Q HA 0.035 4.372 4.340 -0.005 0.000 0.213 169 Q C 1.133 177.208 176.000 0.124 0.000 0.974 169 Q CA 0.771 56.608 55.803 0.056 0.000 0.918 169 Q CB -0.391 28.373 28.738 0.045 0.000 0.980 169 Q HN 0.585 nan 8.270 nan 0.000 0.505 170 F N -0.251 119.703 119.950 0.006 0.000 2.186 170 F HA -0.152 4.372 4.527 -0.006 0.000 0.299 170 F C 2.180 177.941 175.800 -0.065 0.000 1.090 170 F CA 0.385 58.377 58.000 -0.012 0.000 1.307 170 F CB -0.868 38.124 39.000 -0.013 0.000 1.019 170 F HN -0.119 nan 8.300 nan 0.000 0.489 171 V N -1.007 118.915 119.914 0.014 0.000 2.283 171 V HA -0.223 3.894 4.120 -0.005 0.000 0.243 171 V C 2.385 178.319 176.094 -0.266 0.000 1.039 171 V CA 1.921 64.085 62.300 -0.227 0.000 1.016 171 V CB -1.049 30.447 31.823 -0.544 0.000 0.650 171 V HN 0.254 nan 8.190 nan 0.000 0.449 172 S N 0.817 116.376 115.700 -0.235 0.000 2.359 172 S HA -0.172 4.295 4.470 -0.005 0.000 0.224 172 S C 2.078 176.443 174.600 -0.391 0.000 1.035 172 S CA 1.604 59.608 58.200 -0.327 0.000 1.018 172 S CB -0.837 62.190 63.200 -0.287 0.000 0.876 172 S HN 0.700 nan 8.310 nan 0.000 0.448 173 G N 1.295 109.995 108.800 -0.167 0.000 2.422 173 G HA2 -0.112 3.845 3.960 -0.005 0.000 0.218 173 G HA3 -0.112 3.845 3.960 -0.005 0.000 0.218 173 G C 1.339 176.207 174.900 -0.053 0.000 1.146 173 G CA 0.508 45.565 45.100 -0.072 0.000 0.769 173 G HN 0.422 nan 8.290 nan 0.000 0.547 174 L N -0.185 121.025 121.223 -0.022 0.000 2.056 174 L HA 0.036 4.373 4.340 -0.005 0.000 0.207 174 L C 2.868 179.709 176.870 -0.048 0.000 1.078 174 L CA 0.557 55.413 54.840 0.025 0.000 0.749 174 L CB -0.332 41.754 42.059 0.044 0.000 0.901 174 L HN 0.197 nan 8.230 nan 0.000 0.433 175 L N -0.691 120.439 121.223 -0.154 0.000 2.093 175 L HA -0.202 4.135 4.340 -0.005 0.000 0.208 175 L C 2.470 179.213 176.870 -0.212 0.000 1.085 175 L CA 0.904 55.636 54.840 -0.180 0.000 0.755 175 L CB -0.414 41.497 42.059 -0.247 0.000 0.904 175 L HN 0.260 nan 8.230 nan 0.000 0.435 176 L N -0.925 120.140 121.223 -0.263 0.000 2.131 176 L HA -0.181 4.156 4.340 -0.005 0.000 0.210 176 L C 2.270 179.003 176.870 -0.229 0.000 1.092 176 L CA 1.064 55.745 54.840 -0.265 0.000 0.759 176 L CB -0.259 41.583 42.059 -0.361 0.000 0.903 176 L HN 0.172 nan 8.230 nan 0.000 0.435 177 S N -1.074 114.474 115.700 -0.253 0.000 2.524 177 S HA 0.187 4.653 4.470 -0.005 0.000 0.215 177 S C 1.982 176.107 174.600 -0.792 0.000 0.986 177 S CA 0.433 58.424 58.200 -0.349 0.000 0.911 177 S CB 0.458 63.552 63.200 -0.176 0.000 0.805 177 S HN 0.391 nan 8.310 nan 0.000 0.501 178 A N 1.797 124.180 122.820 -0.728 0.000 1.978 178 A HA 0.019 4.336 4.320 -0.005 0.000 0.220 178 A C 2.230 179.429 177.584 -0.641 0.000 1.170 178 A CA 1.596 53.074 52.037 -0.931 0.000 0.636 178 A CB -0.789 18.046 19.000 -0.274 0.000 0.810 178 A HN 0.519 nan 8.150 nan 0.000 0.448 179 A N -1.061 121.534 122.820 -0.376 0.000 2.121 179 A HA 0.055 4.372 4.320 -0.005 0.000 0.218 179 A C 2.071 179.549 177.584 -0.177 0.000 1.154 179 A CA 1.626 53.544 52.037 -0.198 0.000 0.679 179 A CB -0.388 18.542 19.000 -0.117 0.000 0.795 179 A HN 0.393 nan 8.150 nan 0.000 0.458 180 S N -0.556 114.981 115.700 -0.273 0.000 2.556 180 S HA 0.320 4.787 4.470 -0.005 0.000 0.216 180 S C -0.303 174.319 174.600 0.037 0.000 0.970 180 S CA -0.476 57.663 58.200 -0.102 0.000 0.912 180 S CB -0.200 62.961 63.200 -0.065 0.000 0.790 180 S HN 0.398 nan 8.310 nan 0.000 0.504 181 F N 2.162 122.119 119.950 0.012 0.000 2.389 181 F HA 0.290 4.813 4.527 -0.006 0.000 0.337 181 F C 1.968 177.775 175.800 0.013 0.000 1.112 181 F CA -1.258 56.749 58.000 0.012 0.000 1.192 181 F CB -0.526 38.480 39.000 0.010 0.000 1.185 181 F HN -0.074 nan 8.300 nan 0.000 0.552 182 T N -0.025 114.655 114.554 0.210 0.000 2.565 182 T HA -0.243 4.104 4.350 -0.005 0.000 0.265 182 T C 0.996 175.758 174.700 0.103 0.000 1.082 182 T CA 2.061 64.230 62.100 0.115 0.000 1.173 182 T CB -0.182 68.732 68.868 0.076 0.000 0.864 182 T HN 0.517 nan 8.240 nan 0.000 0.425 183 D N 0.954 121.423 120.400 0.115 0.000 2.328 183 D HA 0.335 4.972 4.640 -0.005 0.000 0.221 183 D C 1.414 177.785 176.300 0.119 0.000 1.072 183 D CA 0.727 54.783 54.000 0.094 0.000 0.850 183 D CB -0.050 40.793 40.800 0.072 0.000 0.922 183 D HN 0.552 nan 8.370 nan 0.000 0.516 184 G N 0.968 109.868 108.800 0.167 0.000 2.562 184 G HA2 -0.204 3.753 3.960 -0.005 0.000 0.250 184 G HA3 -0.204 3.753 3.960 -0.005 0.000 0.250 184 G C -0.753 174.290 174.900 0.238 0.000 1.269 184 G CA -0.104 45.082 45.100 0.143 0.000 0.919 184 G HN 0.332 nan 8.290 nan 0.000 0.574 185 L N -1.227 120.098 121.223 0.169 0.000 2.545 185 L HA 0.720 5.057 4.340 -0.005 0.000 0.258 185 L C -0.235 176.721 176.870 0.144 0.000 0.942 185 L CA 0.042 55.002 54.840 0.200 0.000 0.855 185 L CB 2.246 44.477 42.059 0.286 0.000 1.374 185 L HN 0.997 nan 8.230 nan 0.000 0.411 186 T N 3.337 117.970 114.554 0.132 0.000 2.792 186 T HA 0.721 5.068 4.350 -0.005 0.000 0.280 186 T C -1.007 173.786 174.700 0.155 0.000 0.990 186 T CA -0.380 61.801 62.100 0.134 0.000 0.960 186 T CB 1.446 70.371 68.868 0.094 0.000 0.939 186 T HN 0.342 nan 8.240 nan 0.000 0.439 187 V N 3.851 123.901 119.914 0.227 0.000 2.495 187 V HA 0.593 4.710 4.120 -0.005 0.000 0.298 187 V C -0.303 175.992 176.094 0.334 0.000 1.031 187 V CA -0.851 61.609 62.300 0.267 0.000 0.871 187 V CB 1.692 33.692 31.823 0.295 0.000 0.988 187 V HN 0.829 nan 8.190 nan 0.000 0.432 188 Q N 2.839 122.785 119.800 0.244 0.000 2.327 188 Q HA 0.397 4.733 4.340 -0.005 0.000 0.270 188 Q C -0.725 175.431 176.000 0.260 0.000 1.022 188 Q CA -0.544 55.385 55.803 0.210 0.000 0.773 188 Q CB 1.215 30.007 28.738 0.089 0.000 1.251 188 Q HN 0.893 nan 8.270 nan 0.000 0.457 189 H N 2.502 121.734 119.070 0.270 0.000 2.819 189 H HA 0.248 4.800 4.556 -0.005 0.000 0.303 189 H C 0.398 175.797 175.328 0.118 0.000 1.058 189 H CA 1.077 57.265 56.048 0.234 0.000 1.471 189 H CB 1.124 31.083 29.762 0.328 0.000 1.480 189 H HN 0.825 nan 8.280 nan 0.000 0.517 190 T N 0.583 114.893 114.554 -0.406 0.000 2.978 190 T HA 0.271 4.618 4.350 -0.005 0.000 0.248 190 T C 1.508 175.938 174.700 -0.450 0.000 1.018 190 T CA 0.092 61.985 62.100 -0.346 0.000 1.026 190 T CB -0.271 68.516 68.868 -0.134 0.000 1.032 190 T HN 0.626 nan 8.240 nan 0.000 0.485 191 G N 2.126 110.611 108.800 -0.526 0.000 2.196 191 G HA2 0.226 4.183 3.960 -0.005 0.000 0.448 191 G HA3 0.226 4.183 3.960 -0.005 0.000 0.448 191 G C 0.907 175.738 174.900 -0.115 0.000 1.369 191 G CA 0.694 45.678 45.100 -0.194 0.000 1.136 191 G HN 0.622 nan 8.290 nan 0.000 0.607 192 S N -0.986 114.766 115.700 0.087 0.000 3.224 192 S HA 0.363 4.830 4.470 -0.005 0.000 0.171 192 S C 1.560 176.295 174.600 0.226 0.000 0.846 192 S CA 0.640 58.905 58.200 0.107 0.000 1.328 192 S CB -0.646 62.605 63.200 0.086 0.000 0.614 192 S HN 1.021 nan 8.310 nan 0.000 0.578 193 S N 0.290 116.090 115.700 0.166 0.000 2.633 193 S HA 0.456 4.923 4.470 -0.005 0.000 0.257 193 S C -0.658 174.011 174.600 0.115 0.000 1.265 193 S CA -0.519 57.764 58.200 0.138 0.000 0.980 193 S CB 0.169 63.410 63.200 0.069 0.000 1.017 193 S HN 0.613 nan 8.310 nan 0.000 0.577 194 L N 2.171 123.382 121.223 -0.019 0.000 2.491 194 L HA 0.588 4.925 4.340 -0.005 0.000 0.267 194 L C -2.623 174.157 176.870 -0.151 0.000 0.971 194 L CA -1.569 53.156 54.840 -0.192 0.000 0.857 194 L CB 2.122 43.985 42.059 -0.326 0.000 1.226 194 L HN 0.541 nan 8.230 nan 0.000 0.408 195 P HA 0.343 nan 4.420 nan 0.000 0.278 195 P C -0.365 176.816 177.300 -0.198 0.000 1.258 195 P CA -0.035 62.880 63.100 -0.308 0.000 0.811 195 P CB 1.269 32.454 31.700 -0.859 0.000 1.063 196 S N -0.819 114.824 115.700 -0.095 0.000 3.749 196 S HA -0.170 4.297 4.470 -0.005 0.000 0.348 196 S C 1.323 175.942 174.600 0.032 0.000 1.045 196 S CA 0.526 58.730 58.200 0.007 0.000 1.051 196 S CB -1.945 61.257 63.200 0.004 0.000 0.898 196 S HN 0.816 nan 8.310 nan 0.000 0.472 197 A N 1.321 124.150 122.820 0.015 0.000 1.927 197 A HA -0.132 4.184 4.320 -0.005 0.000 0.220 197 A C 0.108 177.713 177.584 0.036 0.000 1.185 197 A CA 2.201 54.266 52.037 0.047 0.000 0.639 197 A CB -1.627 17.409 19.000 0.060 0.000 0.820 197 A HN 0.562 nan 8.150 nan 0.000 0.451 198 P HA -0.128 nan 4.420 nan 0.000 0.219 198 P C 0.685 177.898 177.300 -0.144 0.000 1.146 198 P CA 1.556 64.607 63.100 -0.082 0.000 0.808 198 P CB -0.165 31.437 31.700 -0.163 0.000 0.779 199 H N -1.883 117.170 119.070 -0.029 0.000 2.482 199 H HA 0.119 4.672 4.556 -0.005 0.000 0.286 199 H C 1.845 177.143 175.328 -0.051 0.000 1.017 199 H CA 0.695 56.726 56.048 -0.028 0.000 1.322 199 H CB -0.562 29.188 29.762 -0.019 0.000 1.426 199 H HN 0.073 nan 8.280 nan 0.000 0.546 200 I N 0.149 120.742 120.570 0.037 0.000 2.315 200 I HA -0.219 3.948 4.170 -0.005 0.000 0.248 200 I C 2.527 178.631 176.117 -0.021 0.000 1.117 200 I CA 0.975 62.239 61.300 -0.061 0.000 1.404 200 I CB -0.214 37.731 38.000 -0.092 0.000 1.071 200 I HN 0.284 nan 8.210 nan 0.000 0.419 201 A N 0.467 123.303 122.820 0.026 0.000 1.933 201 A HA -0.242 4.074 4.320 -0.005 0.000 0.218 201 A C 2.413 179.993 177.584 -0.006 0.000 1.175 201 A CA 1.644 53.702 52.037 0.035 0.000 0.628 201 A CB -0.622 18.401 19.000 0.037 0.000 0.814 201 A HN 0.448 nan 8.150 nan 0.000 0.444 202 M N -0.480 119.093 119.600 -0.046 0.000 2.108 202 M HA -0.163 4.313 4.480 -0.005 0.000 0.261 202 M C 2.078 178.352 176.300 -0.042 0.000 1.066 202 M CA 2.281 57.548 55.300 -0.055 0.000 1.107 202 M CB -0.417 32.126 32.600 -0.096 0.000 1.356 202 M HN 0.435 nan 8.290 nan 0.000 0.406 203 T N 0.985 115.498 114.554 -0.067 0.000 2.684 203 T HA -0.118 4.229 4.350 -0.005 0.000 0.267 203 T C 1.794 176.451 174.700 -0.072 0.000 1.036 203 T CA 1.684 63.714 62.100 -0.115 0.000 1.148 203 T CB -0.577 68.172 68.868 -0.197 0.000 0.863 203 T HN 0.608 nan 8.240 nan 0.000 0.436 204 A N 1.485 124.281 122.820 -0.039 0.000 1.908 204 A HA 0.099 4.415 4.320 -0.005 0.000 0.218 204 A C 2.649 180.249 177.584 0.028 0.000 1.181 204 A CA 1.974 54.019 52.037 0.013 0.000 0.627 204 A CB -1.149 17.896 19.000 0.074 0.000 0.818 204 A HN 0.522 nan 8.150 nan 0.000 0.445 205 A N -0.803 122.034 122.820 0.027 0.000 1.933 205 A HA -0.073 4.244 4.320 -0.005 0.000 0.218 205 A C 2.222 179.848 177.584 0.069 0.000 1.175 205 A CA 1.777 53.839 52.037 0.042 0.000 0.628 205 A CB -0.480 18.541 19.000 0.033 0.000 0.814 205 A HN 0.540 nan 8.150 nan 0.000 0.444 206 M N -0.890 118.754 119.600 0.073 0.000 2.349 206 M HA 0.081 4.558 4.480 -0.005 0.000 0.266 206 M C 1.946 178.358 176.300 0.187 0.000 1.076 206 M CA 0.686 56.090 55.300 0.173 0.000 1.126 206 M CB -0.267 32.392 32.600 0.098 0.000 1.392 206 M HN 0.339 nan 8.290 nan 0.000 0.440 207 L N -0.130 121.137 121.223 0.072 0.000 2.046 207 L HA -0.212 4.124 4.340 -0.005 0.000 0.208 207 L C 2.581 179.492 176.870 0.069 0.000 1.077 207 L CA 1.482 56.355 54.840 0.055 0.000 0.747 207 L CB -0.461 41.595 42.059 -0.005 0.000 0.896 207 L HN 0.270 nan 8.230 nan 0.000 0.432 208 R N -0.447 120.087 120.500 0.057 0.000 2.120 208 R HA -0.180 4.157 4.340 -0.005 0.000 0.234 208 R C 2.159 178.481 176.300 0.038 0.000 1.123 208 R CA 1.143 57.267 56.100 0.041 0.000 0.975 208 R CB -0.232 30.089 30.300 0.034 0.000 0.866 208 R HN 0.503 nan 8.270 nan 0.000 0.446 209 Q N -0.337 119.502 119.800 0.065 0.000 2.369 209 Q HA 0.023 4.360 4.340 -0.005 0.000 0.206 209 Q C 1.339 177.311 176.000 -0.047 0.000 0.963 209 Q CA 0.988 56.790 55.803 -0.001 0.000 0.894 209 Q CB 0.348 29.084 28.738 -0.003 0.000 0.965 209 Q HN 0.298 nan 8.270 nan 0.000 0.475 210 A N -0.143 122.714 122.820 0.062 0.000 2.379 210 A HA 0.409 4.725 4.320 -0.005 0.000 0.236 210 A C 1.270 178.870 177.584 0.025 0.000 1.272 210 A CA 0.481 52.554 52.037 0.060 0.000 0.886 210 A CB -0.154 18.978 19.000 0.220 0.000 0.962 210 A HN 0.368 nan 8.150 nan 0.000 0.504 211 G N -1.178 107.627 108.800 0.009 0.000 2.143 211 G HA2 -0.194 3.763 3.960 -0.005 0.000 0.248 211 G HA3 -0.194 3.763 3.960 -0.005 0.000 0.248 211 G C 0.161 175.066 174.900 0.009 0.000 0.991 211 G CA 0.223 45.324 45.100 0.001 0.000 0.689 211 G HN 0.728 nan 8.290 nan 0.000 0.522 212 V N 0.868 120.792 119.914 0.017 0.000 2.607 212 V HA 0.496 4.612 4.120 -0.005 0.000 0.289 212 V C 0.274 176.375 176.094 0.012 0.000 1.053 212 V CA -0.394 61.911 62.300 0.008 0.000 0.996 212 V CB 1.846 33.669 31.823 -0.000 0.000 0.995 212 V HN 0.362 nan 8.190 nan 0.000 0.476 213 D N 4.271 124.677 120.400 0.010 0.000 2.317 213 D HA 0.394 5.031 4.640 -0.005 0.000 0.234 213 D C -0.738 175.578 176.300 0.028 0.000 1.112 213 D CA -0.124 53.887 54.000 0.018 0.000 0.840 213 D CB 1.247 42.057 40.800 0.016 0.000 1.078 213 D HN 0.495 nan 8.370 nan 0.000 0.486 214 I N 2.674 123.269 120.570 0.041 0.000 2.498 214 I HA 0.307 4.474 4.170 -0.005 0.000 0.290 214 I C -1.456 174.706 176.117 0.076 0.000 1.032 214 I CA -0.760 60.581 61.300 0.067 0.000 1.073 214 I CB 1.911 39.958 38.000 0.078 0.000 1.251 214 I HN 0.152 nan 8.210 nan 0.000 0.426 215 D N 6.197 126.649 120.400 0.086 0.000 2.349 215 D HA 0.238 4.875 4.640 -0.005 0.000 0.232 215 D C -0.720 175.614 176.300 0.058 0.000 1.071 215 D CA -0.259 53.775 54.000 0.057 0.000 0.832 215 D CB 1.400 42.218 40.800 0.031 0.000 1.086 215 D HN 0.626 nan 8.370 nan 0.000 0.504 216 D N 1.258 121.680 120.400 0.038 0.000 2.623 216 D HA 0.077 4.714 4.640 -0.005 0.000 0.252 216 D C 0.502 176.747 176.300 -0.092 0.000 1.294 216 D CA -0.323 53.657 54.000 -0.033 0.000 0.824 216 D CB 0.165 41.048 40.800 0.137 0.000 1.070 216 D HN 0.060 nan 8.370 nan 0.000 0.487 217 S N -0.565 115.091 115.700 -0.074 0.000 2.481 217 S HA 0.017 4.484 4.470 -0.005 0.000 0.231 217 S C 0.714 175.258 174.600 -0.093 0.000 0.996 217 S CA 0.467 58.630 58.200 -0.062 0.000 0.942 217 S CB 0.074 63.251 63.200 -0.037 0.000 0.768 217 S HN 0.344 nan 8.310 nan 0.000 0.520 218 T N 3.714 118.178 114.554 -0.151 0.000 2.779 218 T HA 0.397 4.744 4.350 -0.005 0.000 0.280 218 T C -2.759 171.782 174.700 -0.265 0.000 0.987 218 T CA -1.508 60.492 62.100 -0.167 0.000 0.966 218 T CB 1.582 70.360 68.868 -0.150 0.000 0.933 218 T HN -0.077 nan 8.240 nan 0.000 0.442 219 P HA 0.165 nan 4.420 nan 0.000 0.266 219 P C 0.332 177.442 177.300 -0.318 0.000 1.195 219 P CA 0.171 63.136 63.100 -0.226 0.000 0.768 219 P CB 0.271 31.912 31.700 -0.099 0.000 0.838 220 N N -0.863 117.556 118.700 -0.469 0.000 2.909 220 N HA -0.208 4.529 4.740 -0.005 0.000 0.242 220 N C 0.019 175.134 175.510 -0.658 0.000 0.975 220 N CA 1.142 53.954 53.050 -0.397 0.000 0.921 220 N CB -1.158 37.328 38.487 -0.002 0.000 1.112 220 N HN 0.544 nan 8.380 nan 0.000 0.581 221 R N -0.099 119.804 120.500 -0.995 0.000 2.686 221 R HA 0.499 4.835 4.340 -0.005 0.000 0.283 221 R C -1.454 174.349 176.300 -0.828 0.000 0.978 221 R CA -0.582 55.138 56.100 -0.633 0.000 0.897 221 R CB 1.388 31.525 30.300 -0.272 0.000 1.192 221 R HN 0.089 nan 8.270 nan 0.000 0.457 222 W N 3.676 124.997 121.300 0.035 0.000 2.900 222 W HA 0.335 4.992 4.660 -0.004 0.000 0.336 222 W C -0.955 175.580 176.519 0.025 0.000 1.064 222 W CA -0.693 56.667 57.345 0.025 0.000 1.237 222 W CB 2.204 31.677 29.460 0.022 0.000 1.391 222 W HN 0.459 nan 8.180 nan 0.000 0.468 223 Q N 2.014 121.929 119.800 0.191 0.000 2.333 223 Q HA 0.560 4.897 4.340 -0.005 0.000 0.268 223 Q C -0.727 175.339 176.000 0.110 0.000 1.007 223 Q CA -0.828 55.052 55.803 0.129 0.000 0.810 223 Q CB 3.138 31.921 28.738 0.074 0.000 1.264 223 Q HN 0.117 nan 8.270 nan 0.000 0.452 224 V N 2.966 122.935 119.914 0.093 0.000 2.448 224 V HA 0.421 4.538 4.120 -0.005 0.000 0.295 224 V C -0.206 175.910 176.094 0.037 0.000 1.025 224 V CA -0.801 61.530 62.300 0.052 0.000 0.859 224 V CB 1.735 33.569 31.823 0.018 0.000 0.988 224 V HN 0.679 nan 8.190 nan 0.000 0.431 225 R N 5.434 125.949 120.500 0.024 0.000 2.410 225 R HA 0.409 4.746 4.340 -0.005 0.000 0.288 225 R C -2.442 173.862 176.300 0.006 0.000 1.051 225 R CA -1.634 54.480 56.100 0.022 0.000 1.021 225 R CB 0.915 31.227 30.300 0.020 0.000 1.032 225 R HN 0.467 nan 8.270 nan 0.000 0.481 226 P HA 0.127 nan 4.420 nan 0.000 0.268 226 P C -0.293 177.009 177.300 0.002 0.000 1.204 226 P CA 0.104 63.208 63.100 0.007 0.000 0.768 226 P CB 1.225 32.946 31.700 0.035 0.000 0.842 227 G N 2.881 111.676 108.800 -0.009 0.000 2.322 227 G HA2 0.374 4.331 3.960 -0.005 0.000 0.295 227 G HA3 0.374 4.331 3.960 -0.005 0.000 0.295 227 G C -3.387 171.509 174.900 -0.008 0.000 1.369 227 G CA -0.870 44.228 45.100 -0.004 0.000 0.821 227 G HN 0.346 nan 8.290 nan 0.000 0.536 228 P HA 0.433 nan 4.420 nan 0.000 0.275 228 P C -0.245 177.056 177.300 0.002 0.000 1.227 228 P CA -0.213 62.888 63.100 0.001 0.000 0.781 228 P CB 1.541 33.243 31.700 0.003 0.000 0.906 229 V N 2.544 122.462 119.914 0.008 0.000 2.383 229 V HA 0.406 4.523 4.120 -0.005 0.000 0.275 229 V C 0.867 176.985 176.094 0.040 0.000 1.036 229 V CA -0.723 61.594 62.300 0.028 0.000 0.889 229 V CB 0.611 32.451 31.823 0.028 0.000 0.985 229 V HN 0.726 nan 8.190 nan 0.000 0.459 230 A N 4.400 127.246 122.820 0.044 0.000 2.401 230 A HA 0.704 5.021 4.320 -0.005 0.000 0.259 230 A C 0.652 178.263 177.584 0.044 0.000 1.103 230 A CA 0.015 52.064 52.037 0.020 0.000 0.789 230 A CB 0.390 19.377 19.000 -0.022 0.000 1.035 230 A HN 1.312 nan 8.150 nan 0.000 0.491 231 A N 3.249 126.083 122.820 0.024 0.000 2.404 231 A HA 0.601 4.918 4.320 -0.005 0.000 0.273 231 A C 0.604 178.166 177.584 -0.037 0.000 1.144 231 A CA -0.212 51.844 52.037 0.032 0.000 0.806 231 A CB -0.062 18.954 19.000 0.027 0.000 1.080 231 A HN 1.093 nan 8.150 nan 0.000 0.509 232 R N 1.573 122.026 120.500 -0.077 0.000 2.781 232 R HA 0.648 4.984 4.340 -0.005 0.000 0.268 232 R C -0.730 175.396 176.300 -0.289 0.000 1.047 232 R CA -1.069 54.883 56.100 -0.247 0.000 0.925 232 R CB 1.146 31.163 30.300 -0.472 0.000 1.246 232 R HN 0.559 nan 8.270 nan 0.000 0.456 233 R N 0.759 121.066 120.500 -0.323 0.000 2.265 233 R HA 0.274 4.610 4.340 -0.005 0.000 0.319 233 R C -1.326 174.758 176.300 -0.359 0.000 1.006 233 R CA -0.447 55.529 56.100 -0.207 0.000 0.880 233 R CB 0.759 30.997 30.300 -0.103 0.000 1.077 233 R HN 0.569 nan 8.270 nan 0.000 0.454 234 W N 3.568 124.865 121.300 -0.005 0.000 2.391 234 W HA 0.297 4.955 4.660 -0.004 0.000 0.311 234 W C -0.373 176.143 176.519 -0.006 0.000 1.087 234 W CA -0.504 56.838 57.345 -0.006 0.000 1.209 234 W CB 1.315 30.772 29.460 -0.004 0.000 1.273 234 W HN 0.302 nan 8.180 nan 0.000 0.482 235 D N 4.082 124.591 120.400 0.182 0.000 2.303 235 D HA 0.259 4.896 4.640 -0.005 0.000 0.236 235 D C -0.237 176.133 176.300 0.116 0.000 1.068 235 D CA -0.391 53.679 54.000 0.115 0.000 0.830 235 D CB 1.916 42.748 40.800 0.053 0.000 1.109 235 D HN 0.018 nan 8.370 nan 0.000 0.496 236 I N 2.002 122.626 120.570 0.090 0.000 2.365 236 I HA 0.125 4.292 4.170 -0.005 0.000 0.291 236 I C 1.026 177.157 176.117 0.024 0.000 1.004 236 I CA -0.425 60.910 61.300 0.058 0.000 1.311 236 I CB 0.793 38.820 38.000 0.045 0.000 1.401 236 I HN 0.189 nan 8.210 nan 0.000 0.491 237 E N 6.892 127.093 120.200 0.001 0.000 2.374 237 E HA 0.242 4.589 4.350 -0.005 0.000 0.260 237 E C -2.237 174.336 176.600 -0.045 0.000 1.101 237 E CA -1.525 54.853 56.400 -0.036 0.000 0.907 237 E CB 0.173 29.827 29.700 -0.078 0.000 1.014 237 E HN 0.328 nan 8.360 nan 0.000 0.427 238 P HA -0.099 nan 4.420 nan 0.000 0.267 238 P C -0.621 176.630 177.300 -0.081 0.000 1.200 238 P CA 0.164 63.231 63.100 -0.055 0.000 0.772 238 P CB 0.407 32.076 31.700 -0.052 0.000 0.855 239 D N 2.701 123.088 120.400 -0.023 0.000 2.346 239 D HA 0.019 4.656 4.640 -0.005 0.000 0.260 239 D C 1.048 177.335 176.300 -0.020 0.000 1.252 239 D CA 0.146 54.140 54.000 -0.009 0.000 0.895 239 D CB 0.524 41.353 40.800 0.049 0.000 1.097 239 D HN 0.277 nan 8.370 nan 0.000 0.489 240 L N 2.837 124.000 121.223 -0.099 0.000 2.240 240 L HA -0.093 4.244 4.340 -0.005 0.000 0.211 240 L C 2.357 179.263 176.870 0.060 0.000 1.106 240 L CA 0.555 55.317 54.840 -0.130 0.000 0.793 240 L CB -0.306 41.551 42.059 -0.336 0.000 0.927 240 L HN 0.370 nan 8.230 nan 0.000 0.446 241 T N -0.347 114.246 114.554 0.066 0.000 2.708 241 T HA -0.165 4.182 4.350 -0.005 0.000 0.266 241 T C 1.611 176.384 174.700 0.123 0.000 1.037 241 T CA 1.751 63.907 62.100 0.094 0.000 1.146 241 T CB -0.365 68.546 68.868 0.073 0.000 0.865 241 T HN 0.418 nan 8.240 nan 0.000 0.435 242 N N 1.074 119.860 118.700 0.143 0.000 2.244 242 N HA 0.020 4.757 4.740 -0.005 0.000 0.183 242 N C 2.114 177.851 175.510 0.379 0.000 1.016 242 N CA 0.709 53.893 53.050 0.225 0.000 0.866 242 N CB -0.169 38.468 38.487 0.250 0.000 0.980 242 N HN 0.351 nan 8.380 nan 0.000 0.430 243 A N 0.616 123.640 122.820 0.339 0.000 2.019 243 A HA -0.077 4.240 4.320 -0.005 0.000 0.219 243 A C 2.250 180.097 177.584 0.438 0.000 1.164 243 A CA 0.939 53.242 52.037 0.443 0.000 0.644 243 A CB -0.501 18.753 19.000 0.423 0.000 0.805 243 A HN 0.110 nan 8.150 nan 0.000 0.449 244 V N -0.377 119.727 119.914 0.316 0.000 2.626 244 V HA -0.220 3.897 4.120 -0.005 0.000 0.252 244 V C 2.968 179.182 176.094 0.201 0.000 1.067 244 V CA 1.637 64.074 62.300 0.229 0.000 1.081 244 V CB -0.996 30.924 31.823 0.161 0.000 0.686 244 V HN 0.623 nan 8.190 nan 0.000 0.468 245 A N -0.066 122.872 122.820 0.196 0.000 1.877 245 A HA -0.170 4.147 4.320 -0.005 0.000 0.216 245 A C 1.990 179.728 177.584 0.255 0.000 1.186 245 A CA 1.816 53.922 52.037 0.116 0.000 0.620 245 A CB -0.684 18.276 19.000 -0.067 0.000 0.822 245 A HN 0.487 nan 8.150 nan 0.000 0.443 246 F N 0.160 120.360 119.950 0.417 0.000 2.146 246 F HA -0.071 4.453 4.527 -0.006 0.000 0.298 246 F C 2.103 177.981 175.800 0.131 0.000 1.096 246 F CA 1.092 59.267 58.000 0.291 0.000 1.275 246 F CB -0.576 38.541 39.000 0.196 0.000 1.008 246 F HN 0.077 nan 8.300 nan 0.000 0.480 247 L N -0.862 120.531 121.223 0.284 0.000 2.083 247 L HA -0.225 4.112 4.340 -0.005 0.000 0.209 247 L C 2.472 179.391 176.870 0.082 0.000 1.083 247 L CA 1.139 56.056 54.840 0.129 0.000 0.752 247 L CB -0.918 41.192 42.059 0.084 0.000 0.899 247 L HN 0.085 nan 8.230 nan 0.000 0.433 248 S N 0.092 115.861 115.700 0.115 0.000 2.383 248 S HA -0.224 4.243 4.470 -0.005 0.000 0.229 248 S C 2.216 176.875 174.600 0.097 0.000 1.030 248 S CA 1.269 59.521 58.200 0.087 0.000 1.002 248 S CB -0.297 62.971 63.200 0.114 0.000 0.829 248 S HN 0.531 nan 8.310 nan 0.000 0.467 249 A N 1.538 124.428 122.820 0.115 0.000 1.902 249 A HA 0.058 4.375 4.320 -0.005 0.000 0.217 249 A C 2.371 179.963 177.584 0.012 0.000 1.181 249 A CA 1.742 53.805 52.037 0.043 0.000 0.623 249 A CB -1.092 17.838 19.000 -0.116 0.000 0.818 249 A HN 0.529 nan 8.150 nan 0.000 0.443 250 A N -0.487 122.335 122.820 0.004 0.000 1.883 250 A HA -0.039 4.278 4.320 -0.005 0.000 0.217 250 A C 2.236 179.823 177.584 0.005 0.000 1.186 250 A CA 1.897 53.929 52.037 -0.008 0.000 0.624 250 A CB -1.019 17.966 19.000 -0.025 0.000 0.822 250 A HN 0.427 nan 8.150 nan 0.000 0.444 251 V N 0.255 120.168 119.914 -0.002 0.000 2.287 251 V HA -0.250 3.867 4.120 -0.005 0.000 0.248 251 V C 2.642 178.788 176.094 0.086 0.000 1.053 251 V CA 2.148 64.436 62.300 -0.019 0.000 1.027 251 V CB -0.915 30.839 31.823 -0.115 0.000 0.646 251 V HN 0.631 nan 8.190 nan 0.000 0.447 252 V N -1.146 118.842 119.914 0.124 0.000 3.235 252 V HA 0.046 4.163 4.120 -0.005 0.000 0.259 252 V C 1.990 178.166 176.094 0.136 0.000 1.133 252 V CA 1.475 63.902 62.300 0.212 0.000 1.128 252 V CB -0.119 31.818 31.823 0.190 0.000 0.757 252 V HN 0.604 nan 8.190 nan 0.000 0.469 253 S N -0.451 115.298 115.700 0.082 0.000 2.523 253 S HA 0.449 4.916 4.470 -0.005 0.000 0.217 253 S C 1.692 176.315 174.600 0.037 0.000 0.996 253 S CA 0.663 58.892 58.200 0.047 0.000 0.921 253 S CB 0.390 63.601 63.200 0.018 0.000 0.829 253 S HN 1.750 nan 8.310 nan 0.000 0.495 254 G N 0.494 109.323 108.800 0.048 0.000 2.143 254 G HA2 -0.100 3.857 3.960 -0.005 0.000 0.248 254 G HA3 -0.100 3.857 3.960 -0.005 0.000 0.248 254 G C 0.470 175.375 174.900 0.009 0.000 0.991 254 G CA 0.014 45.134 45.100 0.033 0.000 0.689 254 G HN 1.056 nan 8.290 nan 0.000 0.522 255 G N -1.500 107.300 108.800 0.000 0.000 2.583 255 G HA2 0.692 4.649 3.960 -0.005 0.000 0.280 255 G HA3 0.692 4.649 3.960 -0.005 0.000 0.280 255 G C -0.353 174.532 174.900 -0.025 0.000 1.376 255 G CA 0.369 45.459 45.100 -0.016 0.000 1.043 255 G HN 0.694 nan 8.290 nan 0.000 0.538 256 T N -0.394 114.140 114.554 -0.034 0.000 2.879 256 T HA 0.532 4.879 4.350 -0.005 0.000 0.290 256 T C -1.009 173.663 174.700 -0.046 0.000 0.993 256 T CA -0.207 61.867 62.100 -0.042 0.000 0.975 256 T CB 1.755 70.598 68.868 -0.041 0.000 0.981 256 T HN 0.330 nan 8.240 nan 0.000 0.439 257 V N 4.024 123.909 119.914 -0.048 0.000 2.577 257 V HA 0.532 4.649 4.120 -0.005 0.000 0.303 257 V C -0.280 175.781 176.094 -0.054 0.000 1.042 257 V CA -0.921 61.355 62.300 -0.040 0.000 0.872 257 V CB 2.130 33.949 31.823 -0.008 0.000 0.998 257 V HN 0.709 nan 8.190 nan 0.000 0.423 258 R N 4.467 124.936 120.500 -0.051 0.000 2.532 258 R HA 0.656 4.993 4.340 -0.005 0.000 0.295 258 R C -1.158 175.125 176.300 -0.029 0.000 0.968 258 R CA -0.808 55.257 56.100 -0.058 0.000 0.916 258 R CB 1.861 32.131 30.300 -0.051 0.000 1.124 258 R HN 0.457 nan 8.270 nan 0.000 0.463 259 I N 2.894 123.462 120.570 -0.004 0.000 2.355 259 I HA 0.118 4.284 4.170 -0.005 0.000 0.288 259 I C 0.811 176.993 176.117 0.109 0.000 0.999 259 I CA -0.488 60.861 61.300 0.081 0.000 1.163 259 I CB 1.319 39.468 38.000 0.248 0.000 1.316 259 I HN 0.684 nan 8.210 nan 0.000 0.454 260 T N 1.306 115.900 114.554 0.066 0.000 2.918 260 T HA 0.421 4.768 4.350 -0.005 0.000 0.302 260 T C 1.064 175.830 174.700 0.111 0.000 1.045 260 T CA 0.244 62.386 62.100 0.070 0.000 1.114 260 T CB 1.273 70.157 68.868 0.027 0.000 0.965 260 T HN 1.113 nan 8.240 nan 0.000 0.540 261 G N 1.877 110.747 108.800 0.116 0.000 2.246 261 G HA2 -0.211 3.746 3.960 -0.005 0.000 0.273 261 G HA3 -0.211 3.746 3.960 -0.005 0.000 0.273 261 G C -0.078 174.921 174.900 0.164 0.000 1.055 261 G CA -0.056 45.111 45.100 0.111 0.000 0.851 261 G HN 0.965 nan 8.290 nan 0.000 0.500 262 W N 2.012 123.330 121.300 0.031 0.000 2.304 262 W HA 0.486 5.143 4.660 -0.005 0.000 0.313 262 W C -1.830 174.730 176.519 0.068 0.000 1.323 262 W CA -1.860 55.513 57.345 0.046 0.000 1.223 262 W CB 0.952 30.435 29.460 0.038 0.000 1.237 262 W HN 0.241 nan 8.180 nan 0.000 0.535 263 P HA 0.110 nan 4.420 nan 0.000 0.276 263 P C 0.352 177.746 177.300 0.156 0.000 1.230 263 P CA 0.066 63.176 63.100 0.016 0.000 0.776 263 P CB 1.206 32.839 31.700 -0.111 0.000 0.888 264 R N 2.098 122.686 120.500 0.148 0.000 2.153 264 R HA 0.122 4.459 4.340 -0.005 0.000 0.218 264 R C -0.122 176.232 176.300 0.090 0.000 1.072 264 R CA 0.758 56.944 56.100 0.143 0.000 0.990 264 R CB 0.244 30.578 30.300 0.057 0.000 0.889 264 R HN 0.321 nan 8.270 nan 0.000 0.452 265 V N 1.021 120.969 119.914 0.055 0.000 2.488 265 V HA 0.244 4.361 4.120 -0.005 0.000 0.293 265 V C -0.967 175.132 176.094 0.008 0.000 1.027 265 V CA -0.547 61.773 62.300 0.033 0.000 0.862 265 V CB 1.517 33.352 31.823 0.020 0.000 1.008 265 V HN 0.259 nan 8.190 nan 0.000 0.428 266 S N 3.551 119.248 115.700 -0.006 0.000 2.648 266 S HA 0.533 4.999 4.470 -0.005 0.000 0.305 266 S C 0.868 175.447 174.600 -0.035 0.000 1.094 266 S CA -0.051 58.121 58.200 -0.046 0.000 0.983 266 S CB 2.122 65.253 63.200 -0.115 0.000 1.101 266 S HN 0.963 nan 8.310 nan 0.000 0.514 267 V N 0.383 120.272 119.914 -0.042 0.000 3.573 267 V HA 0.275 4.392 4.120 -0.005 0.000 0.270 267 V C 0.504 176.546 176.094 -0.087 0.000 1.221 267 V CA 0.416 62.692 62.300 -0.041 0.000 1.163 267 V CB -1.602 30.209 31.823 -0.021 0.000 0.847 267 V HN 0.723 nan 8.190 nan 0.000 0.468 268 Q N 1.378 121.115 119.800 -0.105 0.000 2.204 268 Q HA 0.411 4.748 4.340 -0.005 0.000 0.254 268 Q C -2.243 173.701 176.000 -0.093 0.000 0.981 268 Q CA -2.251 53.467 55.803 -0.141 0.000 0.897 268 Q CB 1.348 29.995 28.738 -0.150 0.000 1.273 268 Q HN 0.150 nan 8.270 nan 0.000 0.464 269 P HA -0.014 nan 4.420 nan 0.000 0.246 269 P C -0.179 177.177 177.300 0.093 0.000 1.675 269 P CA 0.356 63.461 63.100 0.009 0.000 0.908 269 P CB -0.334 31.339 31.700 -0.045 0.000 1.890 270 A N 0.902 123.771 122.820 0.083 0.000 1.933 270 A HA -0.196 4.121 4.320 -0.005 0.000 0.218 270 A C 1.947 179.690 177.584 0.266 0.000 1.175 270 A CA 1.567 53.728 52.037 0.206 0.000 0.628 270 A CB -0.666 18.465 19.000 0.220 0.000 0.814 270 A HN 0.170 nan 8.150 nan 0.000 0.444 271 D N -1.019 119.505 120.400 0.206 0.000 2.117 271 D HA -0.127 4.510 4.640 -0.005 0.000 0.197 271 D C 1.696 178.079 176.300 0.138 0.000 0.987 271 D CA 1.502 55.598 54.000 0.161 0.000 0.829 271 D CB -0.441 40.423 40.800 0.107 0.000 0.961 271 D HN 0.655 nan 8.370 nan 0.000 0.460 272 H N 0.048 119.166 119.070 0.080 0.000 2.353 272 H HA 0.023 4.576 4.556 -0.005 0.000 0.300 272 H C 2.200 177.572 175.328 0.072 0.000 1.090 272 H CA 0.873 56.961 56.048 0.067 0.000 1.327 272 H CB -0.109 29.690 29.762 0.063 0.000 1.383 272 H HN 0.117 nan 8.280 nan 0.000 0.508 273 I N -0.077 120.639 120.570 0.243 0.000 2.179 273 I HA -0.253 3.913 4.170 -0.005 0.000 0.242 273 I C 1.807 178.003 176.117 0.130 0.000 1.088 273 I CA 1.110 62.526 61.300 0.194 0.000 1.357 273 I CB -0.162 37.995 38.000 0.262 0.000 1.051 273 I HN 0.206 nan 8.210 nan 0.000 0.409 274 L N 0.166 121.470 121.223 0.135 0.000 2.156 274 L HA -0.112 4.225 4.340 -0.005 0.000 0.208 274 L C 2.803 179.673 176.870 0.000 0.000 1.095 274 L CA 0.938 55.800 54.840 0.037 0.000 0.770 274 L CB -0.782 41.299 42.059 0.037 0.000 0.914 274 L HN 0.219 nan 8.230 nan 0.000 0.439 275 A N 0.753 123.583 122.820 0.018 0.000 1.902 275 A HA -0.175 4.142 4.320 -0.005 0.000 0.217 275 A C 2.228 179.788 177.584 -0.041 0.000 1.181 275 A CA 1.468 53.495 52.037 -0.017 0.000 0.623 275 A CB -0.594 18.388 19.000 -0.030 0.000 0.818 275 A HN 0.311 nan 8.150 nan 0.000 0.443 276 I N -0.222 120.332 120.570 -0.027 0.000 2.127 276 I HA -0.293 3.874 4.170 -0.005 0.000 0.241 276 I C 2.404 178.425 176.117 -0.160 0.000 1.075 276 I CA 1.316 62.567 61.300 -0.081 0.000 1.334 276 I CB -0.396 37.578 38.000 -0.044 0.000 1.040 276 I HN 0.301 nan 8.210 nan 0.000 0.405 277 L N 0.096 121.245 121.223 -0.124 0.000 2.043 277 L HA -0.237 4.100 4.340 -0.005 0.000 0.212 277 L C 2.649 179.423 176.870 -0.161 0.000 1.075 277 L CA 1.548 56.291 54.840 -0.162 0.000 0.752 277 L CB -0.606 41.380 42.059 -0.121 0.000 0.891 277 L HN 0.187 nan 8.230 nan 0.000 0.432 278 R N -0.535 119.897 120.500 -0.113 0.000 2.235 278 R HA -0.110 4.227 4.340 -0.005 0.000 0.213 278 R C 2.237 178.481 176.300 -0.093 0.000 1.059 278 R CA 0.558 56.603 56.100 -0.093 0.000 0.997 278 R CB -0.149 30.114 30.300 -0.062 0.000 0.884 278 R HN 0.476 nan 8.270 nan 0.000 0.462 279 Q N 0.027 119.757 119.800 -0.116 0.000 2.234 279 Q HA -0.143 4.193 4.340 -0.005 0.000 0.206 279 Q C 0.890 176.815 176.000 -0.123 0.000 0.980 279 Q CA 1.012 56.753 55.803 -0.104 0.000 0.869 279 Q CB 0.095 28.755 28.738 -0.129 0.000 0.912 279 Q HN 0.206 nan 8.270 nan 0.000 0.436 280 L N -0.068 121.027 121.223 -0.213 0.000 2.611 280 L HA 0.091 4.428 4.340 -0.005 0.000 0.229 280 L C -0.180 176.633 176.870 -0.094 0.000 1.137 280 L CA 0.480 55.195 54.840 -0.208 0.000 0.901 280 L CB -0.126 41.636 42.059 -0.496 0.000 1.098 280 L HN 0.173 nan 8.230 nan 0.000 0.456 281 N N -1.734 116.925 118.700 -0.068 0.000 2.901 281 N HA -0.159 4.578 4.740 -0.005 0.000 0.248 281 N C 0.311 175.796 175.510 -0.041 0.000 1.044 281 N CA 0.719 53.751 53.050 -0.029 0.000 0.847 281 N CB -1.028 37.471 38.487 0.020 0.000 1.127 281 N HN 0.381 nan 8.380 nan 0.000 0.562 282 A N -0.121 122.649 122.820 -0.083 0.000 2.462 282 A HA 0.466 4.783 4.320 -0.005 0.000 0.243 282 A C 0.591 178.130 177.584 -0.073 0.000 1.076 282 A CA -0.022 51.965 52.037 -0.083 0.000 0.773 282 A CB 0.535 19.464 19.000 -0.118 0.000 1.010 282 A HN 0.139 nan 8.150 nan 0.000 0.493 283 V N 3.297 123.172 119.914 -0.066 0.000 2.432 283 V HA 0.352 4.469 4.120 -0.005 0.000 0.275 283 V C -0.035 175.999 176.094 -0.100 0.000 1.043 283 V CA -0.345 61.914 62.300 -0.068 0.000 0.925 283 V CB 1.020 32.813 31.823 -0.050 0.000 0.985 283 V HN 0.567 nan 8.190 nan 0.000 0.466 284 V N 6.916 126.762 119.914 -0.114 0.000 2.409 284 V HA 0.580 4.697 4.120 -0.005 0.000 0.291 284 V C -0.213 175.777 176.094 -0.172 0.000 1.020 284 V CA -0.450 61.742 62.300 -0.180 0.000 0.848 284 V CB 1.604 33.303 31.823 -0.207 0.000 0.990 284 V HN 0.832 nan 8.190 nan 0.000 0.430 285 I N 1.604 122.045 120.570 -0.215 0.000 2.647 285 I HA 0.683 4.849 4.170 -0.005 0.000 0.295 285 I C -0.971 174.996 176.117 -0.250 0.000 1.078 285 I CA -0.748 60.464 61.300 -0.147 0.000 1.048 285 I CB 2.368 40.322 38.000 -0.076 0.000 1.239 285 I HN 0.594 nan 8.210 nan 0.000 0.421 286 H N 5.270 124.278 119.070 -0.103 0.000 2.604 286 H HA 0.808 5.361 4.556 -0.005 0.000 0.306 286 H C -0.337 174.961 175.328 -0.050 0.000 1.075 286 H CA 0.027 56.023 56.048 -0.087 0.000 1.357 286 H CB 1.455 31.190 29.762 -0.044 0.000 1.426 286 H HN 0.839 nan 8.280 nan 0.000 0.470 287 A N 2.798 125.646 122.820 0.047 0.000 2.491 287 A HA 0.453 4.770 4.320 -0.005 0.000 0.293 287 A C -0.646 176.956 177.584 0.030 0.000 1.047 287 A CA -0.806 51.250 52.037 0.031 0.000 0.735 287 A CB 0.822 19.821 19.000 -0.002 0.000 1.281 287 A HN 0.803 nan 8.150 nan 0.000 0.398 288 D N 1.775 122.196 120.400 0.036 0.000 3.099 288 D HA -0.246 4.391 4.640 -0.005 0.000 0.213 288 D C 0.781 177.111 176.300 0.049 0.000 1.121 288 D CA 2.713 56.732 54.000 0.032 0.000 0.951 288 D CB -1.665 39.145 40.800 0.018 0.000 1.102 288 D HN 1.960 nan 8.370 nan 0.000 0.423 289 S N -3.341 112.402 115.700 0.073 0.000 3.018 289 S HA -0.269 4.198 4.470 -0.005 0.000 0.274 289 S C 0.337 175.019 174.600 0.138 0.000 1.300 289 S CA 1.575 59.839 58.200 0.106 0.000 1.179 289 S CB -2.177 61.072 63.200 0.082 0.000 1.427 289 S HN 1.312 nan 8.310 nan 0.000 0.668 290 S N 0.753 116.510 115.700 0.095 0.000 2.608 290 S HA 0.780 5.247 4.470 -0.005 0.000 0.291 290 S C -0.491 174.100 174.600 -0.015 0.000 1.146 290 S CA -0.632 57.612 58.200 0.073 0.000 1.043 290 S CB 1.798 65.014 63.200 0.026 0.000 1.037 290 S HN 1.167 nan 8.310 nan 0.000 0.520 291 L N 2.805 123.959 121.223 -0.116 0.000 2.296 291 L HA 0.588 4.925 4.340 -0.005 0.000 0.286 291 L C -0.222 176.450 176.870 -0.329 0.000 1.023 291 L CA -0.169 54.408 54.840 -0.438 0.000 0.812 291 L CB 1.250 42.642 42.059 -1.112 0.000 1.223 291 L HN 0.921 nan 8.230 nan 0.000 0.421 292 E N 4.460 124.487 120.200 -0.289 0.000 2.166 292 E HA 0.526 4.873 4.350 -0.005 0.000 0.275 292 E C -1.770 174.699 176.600 -0.219 0.000 0.941 292 E CA -0.772 55.508 56.400 -0.200 0.000 0.784 292 E CB 1.762 31.386 29.700 -0.127 0.000 1.115 292 E HN 0.462 nan 8.360 nan 0.000 0.399 293 V N 5.214 125.023 119.914 -0.176 0.000 2.495 293 V HA 0.450 4.567 4.120 -0.005 0.000 0.298 293 V C -0.174 175.861 176.094 -0.098 0.000 1.031 293 V CA -0.780 61.429 62.300 -0.151 0.000 0.871 293 V CB 1.602 33.335 31.823 -0.150 0.000 0.988 293 V HN 0.689 nan 8.190 nan 0.000 0.432 294 R N 2.994 123.443 120.500 -0.085 0.000 2.310 294 R HA 0.532 4.869 4.340 -0.005 0.000 0.324 294 R C 0.372 176.644 176.300 -0.047 0.000 0.955 294 R CA -0.446 55.620 56.100 -0.057 0.000 0.830 294 R CB 1.946 32.217 30.300 -0.049 0.000 1.154 294 R HN 0.897 nan 8.270 nan 0.000 0.458 295 G N 4.030 112.812 108.800 -0.031 0.000 2.527 295 G HA2 0.247 4.204 3.960 -0.005 0.000 0.248 295 G HA3 0.247 4.204 3.960 -0.005 0.000 0.248 295 G C -2.046 172.860 174.900 0.011 0.000 1.231 295 G CA -0.747 44.345 45.100 -0.014 0.000 0.838 295 G HN 0.311 nan 8.290 nan 0.000 0.570 296 P HA 0.135 nan 4.420 nan 0.000 0.276 296 P C 1.124 178.470 177.300 0.077 0.000 1.261 296 P CA -0.145 62.990 63.100 0.059 0.000 0.800 296 P CB 0.889 32.644 31.700 0.091 0.000 1.066 297 T N -2.527 112.061 114.554 0.057 0.000 2.962 297 T HA 0.170 4.517 4.350 -0.005 0.000 0.270 297 T C 1.012 175.747 174.700 0.059 0.000 1.088 297 T CA 0.865 62.993 62.100 0.047 0.000 1.127 297 T CB -0.701 68.184 68.868 0.028 0.000 0.883 297 T HN 0.719 nan 8.240 nan 0.000 0.493 298 G N 0.022 108.874 108.800 0.087 0.000 2.623 298 G HA2 0.563 4.520 3.960 -0.005 0.000 0.290 298 G HA3 0.563 4.520 3.960 -0.005 0.000 0.290 298 G C -1.955 173.046 174.900 0.168 0.000 1.437 298 G CA -1.054 44.089 45.100 0.071 0.000 0.798 298 G HN 0.519 nan 8.290 nan 0.000 0.488 299 Y N -1.168 119.161 120.300 0.049 0.000 2.597 299 Y HA 0.795 5.342 4.550 -0.005 0.000 0.340 299 Y C -1.067 174.887 175.900 0.090 0.000 1.097 299 Y CA -1.400 56.741 58.100 0.068 0.000 1.037 299 Y CB 1.312 39.818 38.460 0.077 0.000 1.305 299 Y HN 0.441 nan 8.280 nan 0.000 0.463 300 D N 0.469 121.008 120.400 0.231 0.000 2.567 300 D HA 0.456 5.093 4.640 -0.005 0.000 0.275 300 D C 0.045 176.500 176.300 0.259 0.000 1.195 300 D CA -0.173 53.911 54.000 0.141 0.000 1.087 300 D CB 0.928 41.790 40.800 0.103 0.000 1.165 300 D HN 0.978 nan 8.370 nan 0.000 0.609 301 G N -0.912 107.961 108.800 0.122 0.000 2.527 301 G HA2 0.473 4.430 3.960 -0.005 0.000 0.248 301 G HA3 0.473 4.430 3.960 -0.005 0.000 0.248 301 G C -0.755 174.225 174.900 0.133 0.000 1.231 301 G CA -0.179 44.944 45.100 0.037 0.000 0.838 301 G HN 0.327 nan 8.290 nan 0.000 0.570 302 F N -1.205 118.799 119.950 0.089 0.000 2.613 302 F HA 0.668 5.192 4.527 -0.006 0.000 0.314 302 F C -1.268 174.563 175.800 0.052 0.000 1.075 302 F CA -1.815 56.225 58.000 0.067 0.000 0.945 302 F CB 1.759 40.797 39.000 0.065 0.000 1.310 302 F HN 0.227 nan 8.300 nan 0.000 0.467 303 D N 1.512 122.060 120.400 0.248 0.000 2.308 303 D HA 0.583 5.220 4.640 -0.005 0.000 0.242 303 D C -1.307 175.131 176.300 0.230 0.000 1.059 303 D CA -0.187 53.910 54.000 0.162 0.000 0.830 303 D CB 2.186 43.042 40.800 0.095 0.000 1.161 303 D HN 0.631 nan 8.370 nan 0.000 0.494 304 V N 2.382 122.426 119.914 0.217 0.000 2.733 304 V HA 0.289 4.405 4.120 -0.005 0.000 0.306 304 V C -1.607 174.572 176.094 0.141 0.000 1.084 304 V CA -0.796 61.624 62.300 0.199 0.000 0.905 304 V CB 2.388 34.377 31.823 0.276 0.000 1.010 304 V HN 0.417 nan 8.190 nan 0.000 0.424 305 D N 5.285 125.756 120.400 0.119 0.000 2.347 305 D HA 0.341 4.978 4.640 -0.005 0.000 0.235 305 D C 0.349 176.725 176.300 0.125 0.000 1.149 305 D CA 0.036 54.101 54.000 0.108 0.000 0.850 305 D CB 1.327 42.186 40.800 0.099 0.000 1.061 305 D HN 0.531 nan 8.370 nan 0.000 0.487 306 L N 3.778 125.066 121.223 0.110 0.000 2.769 306 L HA 0.222 4.558 4.340 -0.005 0.000 0.240 306 L C 1.982 178.914 176.870 0.104 0.000 1.163 306 L CA -0.350 54.555 54.840 0.108 0.000 0.962 306 L CB 0.074 42.187 42.059 0.090 0.000 1.258 306 L HN 0.241 nan 8.230 nan 0.000 0.513 307 R N 1.966 122.530 120.500 0.105 0.000 2.117 307 R HA -0.181 4.156 4.340 -0.005 0.000 0.243 307 R C 1.962 178.304 176.300 0.070 0.000 1.143 307 R CA 2.117 58.279 56.100 0.103 0.000 0.968 307 R CB -0.254 30.095 30.300 0.082 0.000 0.863 307 R HN 0.328 nan 8.270 nan 0.000 0.444 308 A N -0.523 122.315 122.820 0.029 0.000 2.132 308 A HA 0.166 4.483 4.320 -0.005 0.000 0.213 308 A C 0.831 178.351 177.584 -0.106 0.000 1.154 308 A CA 0.662 52.654 52.037 -0.074 0.000 0.753 308 A CB 0.344 19.229 19.000 -0.192 0.000 0.826 308 A HN 0.296 nan 8.150 nan 0.000 0.469 309 V N -3.760 116.129 119.914 -0.042 0.000 2.656 309 V HA 0.533 4.650 4.120 -0.005 0.000 0.312 309 V C 1.072 177.216 176.094 0.083 0.000 1.181 309 V CA 0.010 62.317 62.300 0.012 0.000 1.250 309 V CB -0.474 31.331 31.823 -0.029 0.000 1.468 309 V HN 0.217 nan 8.190 nan 0.000 0.651 310 G N 2.202 111.084 108.800 0.137 0.000 2.475 310 G HA2 -0.261 3.696 3.960 -0.005 0.000 0.220 310 G HA3 -0.261 3.696 3.960 -0.005 0.000 0.220 310 G C 1.130 176.088 174.900 0.096 0.000 1.125 310 G CA 1.234 46.408 45.100 0.122 0.000 0.755 310 G HN 0.912 nan 8.290 nan 0.000 0.565 311 E N 0.298 120.568 120.200 0.116 0.000 2.516 311 E HA 0.063 4.410 4.350 -0.005 0.000 0.199 311 E C 1.869 178.484 176.600 0.024 0.000 1.069 311 E CA 0.087 56.524 56.400 0.061 0.000 0.876 311 E CB -0.264 29.445 29.700 0.014 0.000 0.843 311 E HN 0.469 nan 8.360 nan 0.000 0.530 312 L N 0.899 122.148 121.223 0.044 0.000 2.554 312 L HA 0.023 4.360 4.340 -0.005 0.000 0.226 312 L C 1.972 178.864 176.870 0.036 0.000 1.137 312 L CA 0.492 55.356 54.840 0.041 0.000 0.863 312 L CB -0.237 41.859 42.059 0.062 0.000 0.985 312 L HN 0.143 nan 8.230 nan 0.000 0.451 313 T N 0.645 115.215 114.554 0.028 0.000 2.652 313 T HA -0.116 4.231 4.350 -0.005 0.000 0.267 313 T C -0.414 174.305 174.700 0.032 0.000 1.039 313 T CA 1.496 63.613 62.100 0.028 0.000 1.153 313 T CB -0.955 67.907 68.868 -0.009 0.000 0.863 313 T HN 0.218 nan 8.240 nan 0.000 0.428 314 P HA -0.057 nan 4.420 nan 0.000 0.214 314 P C 1.798 179.112 177.300 0.024 0.000 1.163 314 P CA 1.270 64.385 63.100 0.025 0.000 0.889 314 P CB -0.163 31.525 31.700 -0.019 0.000 0.790 315 S N -0.876 114.820 115.700 -0.005 0.000 2.382 315 S HA -0.100 4.367 4.470 -0.005 0.000 0.228 315 S C 1.988 176.621 174.600 0.056 0.000 1.027 315 S CA 1.189 59.392 58.200 0.005 0.000 0.991 315 S CB -1.177 62.024 63.200 0.002 0.000 0.823 315 S HN -0.043 nan 8.310 nan 0.000 0.469 316 V N 1.835 121.797 119.914 0.080 0.000 2.548 316 V HA -0.100 4.017 4.120 -0.005 0.000 0.249 316 V C 2.587 178.814 176.094 0.220 0.000 1.055 316 V CA 1.351 63.738 62.300 0.145 0.000 1.065 316 V CB -1.154 30.758 31.823 0.149 0.000 0.681 316 V HN 0.520 nan 8.190 nan 0.000 0.462 317 A N 0.364 123.276 122.820 0.153 0.000 1.908 317 A HA -0.174 4.142 4.320 -0.005 0.000 0.218 317 A C 2.452 180.126 177.584 0.150 0.000 1.181 317 A CA 2.181 54.303 52.037 0.141 0.000 0.627 317 A CB -0.779 18.291 19.000 0.116 0.000 0.818 317 A HN 0.562 nan 8.150 nan 0.000 0.445 318 A N -0.194 122.699 122.820 0.121 0.000 1.902 318 A HA -0.074 4.243 4.320 -0.005 0.000 0.217 318 A C 2.168 179.841 177.584 0.148 0.000 1.181 318 A CA 1.544 53.630 52.037 0.083 0.000 0.623 318 A CB -0.659 18.329 19.000 -0.019 0.000 0.818 318 A HN 0.492 nan 8.150 nan 0.000 0.443 319 L N -0.814 120.526 121.223 0.194 0.000 2.042 319 L HA -0.236 4.101 4.340 -0.005 0.000 0.210 319 L C 3.088 180.237 176.870 0.465 0.000 1.076 319 L CA 1.172 56.190 54.840 0.296 0.000 0.749 319 L CB -0.624 41.546 42.059 0.184 0.000 0.893 319 L HN 0.452 nan 8.230 nan 0.000 0.432 320 A N 0.014 123.073 122.820 0.399 0.000 1.933 320 A HA -0.120 4.197 4.320 -0.005 0.000 0.218 320 A C 2.494 180.145 177.584 0.112 0.000 1.175 320 A CA 1.586 53.729 52.037 0.177 0.000 0.628 320 A CB -0.621 18.330 19.000 -0.083 0.000 0.814 320 A HN 0.400 nan 8.150 nan 0.000 0.444 321 A N -0.790 122.103 122.820 0.122 0.000 2.067 321 A HA 0.153 4.470 4.320 -0.005 0.000 0.219 321 A C 1.753 179.385 177.584 0.080 0.000 1.158 321 A CA 1.120 53.209 52.037 0.087 0.000 0.661 321 A CB -0.371 18.693 19.000 0.106 0.000 0.801 321 A HN 0.455 nan 8.150 nan 0.000 0.452 322 L N -0.693 120.608 121.223 0.130 0.000 2.667 322 L HA 0.294 4.631 4.340 -0.005 0.000 0.232 322 L C 1.274 178.105 176.870 -0.066 0.000 1.138 322 L CA -0.243 54.644 54.840 0.079 0.000 0.921 322 L CB -0.197 41.949 42.059 0.144 0.000 1.180 322 L HN 0.360 nan 8.230 nan 0.000 0.487 323 A N 0.372 123.130 122.820 -0.103 0.000 2.387 323 A HA 0.252 4.569 4.320 -0.005 0.000 0.251 323 A C 0.864 178.272 177.584 -0.293 0.000 1.113 323 A CA 0.149 51.925 52.037 -0.434 0.000 0.794 323 A CB 0.166 19.113 19.000 -0.088 0.000 1.069 323 A HN 0.332 nan 8.150 nan 0.000 0.506 324 S N 0.517 116.040 115.700 -0.295 0.000 2.568 324 S HA 0.291 4.758 4.470 -0.005 0.000 0.282 324 S C -2.519 172.026 174.600 -0.092 0.000 1.338 324 S CA -0.813 57.291 58.200 -0.161 0.000 1.045 324 S CB -0.204 62.924 63.200 -0.120 0.000 0.873 324 S HN 0.441 nan 8.310 nan 0.000 0.516 325 P HA 0.147 nan 4.420 nan 0.000 0.259 325 P C 1.088 178.368 177.300 -0.033 0.000 1.163 325 P CA 1.734 64.809 63.100 -0.040 0.000 0.760 325 P CB -0.199 31.483 31.700 -0.031 0.000 0.762 326 G N 2.099 110.883 108.800 -0.027 0.000 2.179 326 G HA2 -0.260 3.697 3.960 -0.005 0.000 0.260 326 G HA3 -0.260 3.697 3.960 -0.005 0.000 0.260 326 G C 0.384 175.268 174.900 -0.026 0.000 0.977 326 G CA 0.069 45.155 45.100 -0.023 0.000 0.641 326 G HN 0.575 nan 8.290 nan 0.000 0.533 327 S N -0.237 115.442 115.700 -0.035 0.000 2.549 327 S HA 0.447 4.913 4.470 -0.005 0.000 0.286 327 S C 0.520 175.089 174.600 -0.051 0.000 1.314 327 S CA -0.013 58.166 58.200 -0.035 0.000 1.062 327 S CB 1.994 65.173 63.200 -0.035 0.000 0.865 327 S HN 0.711 nan 8.310 nan 0.000 0.498 328 V N 3.399 123.280 119.914 -0.055 0.000 2.398 328 V HA 0.457 4.574 4.120 -0.005 0.000 0.286 328 V C 0.077 176.091 176.094 -0.132 0.000 1.026 328 V CA -0.454 61.801 62.300 -0.076 0.000 0.868 328 V CB 1.627 33.422 31.823 -0.048 0.000 0.982 328 V HN 0.863 nan 8.190 nan 0.000 0.443 329 S N 4.606 120.184 115.700 -0.205 0.000 2.513 329 S HA 0.699 5.166 4.470 -0.005 0.000 0.299 329 S C -0.501 173.970 174.600 -0.216 0.000 1.087 329 S CA -0.869 57.119 58.200 -0.354 0.000 1.012 329 S CB 1.654 64.388 63.200 -0.778 0.000 1.044 329 S HN 0.696 nan 8.310 nan 0.000 0.485 330 R N 1.549 121.957 120.500 -0.152 0.000 2.439 330 R HA 0.498 4.834 4.340 -0.005 0.000 0.310 330 R C -1.622 174.676 176.300 -0.003 0.000 0.955 330 R CA -0.729 55.337 56.100 -0.057 0.000 0.853 330 R CB 0.963 31.252 30.300 -0.020 0.000 1.171 330 R HN 0.300 nan 8.270 nan 0.000 0.449 331 L N 2.638 123.866 121.223 0.008 0.000 2.265 331 L HA 0.408 4.745 4.340 -0.005 0.000 0.289 331 L C 0.122 177.016 176.870 0.039 0.000 1.033 331 L CA 0.158 55.029 54.840 0.052 0.000 0.814 331 L CB 1.426 43.517 42.059 0.053 0.000 1.203 331 L HN 0.723 nan 8.230 nan 0.000 0.423 332 S N 0.425 116.158 115.700 0.055 0.000 2.715 332 S HA 0.865 5.332 4.470 -0.005 0.000 0.307 332 S C 0.699 175.331 174.600 0.054 0.000 1.119 332 S CA -0.233 57.993 58.200 0.045 0.000 0.937 332 S CB 1.731 64.959 63.200 0.046 0.000 1.150 332 S HN 1.106 nan 8.310 nan 0.000 0.521 333 G N 0.216 109.047 108.800 0.052 0.000 2.143 333 G HA2 -0.208 3.749 3.960 -0.005 0.000 0.249 333 G HA3 -0.208 3.749 3.960 -0.005 0.000 0.249 333 G C 0.220 175.173 174.900 0.088 0.000 0.981 333 G CA 0.303 45.444 45.100 0.068 0.000 0.665 333 G HN 1.623 nan 8.290 nan 0.000 0.528 334 I N -3.280 117.315 120.570 0.041 0.000 3.424 334 I HA 0.732 4.899 4.170 -0.005 0.000 0.339 334 I C 1.590 177.652 176.117 -0.092 0.000 1.549 334 I CA 0.072 61.359 61.300 -0.022 0.000 1.049 334 I CB 0.209 38.151 38.000 -0.097 0.000 1.439 334 I HN 0.063 nan 8.210 nan 0.000 0.500 335 A N 1.991 124.809 122.820 -0.003 0.000 1.978 335 A HA -0.257 4.060 4.320 -0.005 0.000 0.220 335 A C 2.181 179.728 177.584 -0.062 0.000 1.170 335 A CA 2.288 54.308 52.037 -0.028 0.000 0.636 335 A CB -1.214 17.797 19.000 0.019 0.000 0.810 335 A HN 0.886 nan 8.150 nan 0.000 0.448 336 H N -2.188 116.814 119.070 -0.113 0.000 2.543 336 H HA 0.105 4.658 4.556 -0.005 0.000 0.286 336 H C 1.306 176.456 175.328 -0.297 0.000 1.037 336 H CA 0.948 56.907 56.048 -0.149 0.000 1.250 336 H CB -0.318 29.371 29.762 -0.122 0.000 1.373 336 H HN 0.271 nan 8.280 nan 0.000 0.580 337 L N 0.862 121.588 121.223 -0.827 0.000 2.353 337 L HA -0.032 4.304 4.340 -0.005 0.000 0.220 337 L C 2.169 178.793 176.870 -0.410 0.000 1.133 337 L CA 1.134 55.459 54.840 -0.859 0.000 0.798 337 L CB -0.523 41.172 42.059 -0.607 0.000 0.922 337 L HN 0.334 nan 8.230 nan 0.000 0.445 338 R N -1.016 119.332 120.500 -0.253 0.000 2.241 338 R HA -0.032 4.305 4.340 -0.005 0.000 0.224 338 R C 1.525 177.772 176.300 -0.087 0.000 1.101 338 R CA 1.009 57.026 56.100 -0.137 0.000 0.995 338 R CB -0.323 29.924 30.300 -0.087 0.000 0.870 338 R HN 0.425 nan 8.270 nan 0.000 0.463 339 G N -0.785 107.967 108.800 -0.080 0.000 3.690 339 G HA2 0.077 4.033 3.960 -0.005 0.000 0.283 339 G HA3 0.077 4.033 3.960 -0.005 0.000 0.283 339 G C -0.085 174.869 174.900 0.089 0.000 1.057 339 G CA -0.405 44.700 45.100 0.009 0.000 0.821 339 G HN 0.267 nan 8.290 nan 0.000 0.526 340 H N -0.302 118.720 119.070 -0.079 0.000 2.277 340 H HA 0.144 4.697 4.556 -0.005 0.000 0.301 340 H C 1.551 176.850 175.328 -0.048 0.000 1.655 340 H CA -0.578 55.427 56.048 -0.073 0.000 1.483 340 H CB 1.013 30.712 29.762 -0.106 0.000 1.741 340 H HN 0.056 nan 8.280 nan 0.000 0.712 341 E N -0.082 120.158 120.200 0.066 0.000 2.181 341 E HA -0.224 4.123 4.350 -0.005 0.000 0.225 341 E C 0.545 177.167 176.600 0.038 0.000 1.073 341 E CA 2.035 58.454 56.400 0.032 0.000 0.916 341 E CB -0.144 29.586 29.700 0.050 0.000 0.793 341 E HN 0.310 nan 8.360 nan 0.000 0.472 342 T N -1.225 113.345 114.554 0.026 0.000 2.926 342 T HA 0.150 4.497 4.350 -0.005 0.000 0.289 342 T C -1.450 173.216 174.700 -0.058 0.000 1.054 342 T CA -0.879 61.211 62.100 -0.018 0.000 1.015 342 T CB 1.285 70.119 68.868 -0.057 0.000 1.167 342 T HN -0.024 nan 8.240 nan 0.000 0.526 343 D N 1.555 121.897 120.400 -0.098 0.000 2.357 343 D HA 0.095 4.732 4.640 -0.005 0.000 0.265 343 D C 1.253 177.438 176.300 -0.192 0.000 1.334 343 D CA 0.246 54.170 54.000 -0.127 0.000 0.984 343 D CB 0.342 41.076 40.800 -0.110 0.000 1.077 343 D HN 0.420 nan 8.370 nan 0.000 0.514 344 R N 2.535 122.931 120.500 -0.173 0.000 2.148 344 R HA -0.039 4.298 4.340 -0.005 0.000 0.227 344 R C 1.926 178.118 176.300 -0.179 0.000 1.103 344 R CA 0.790 56.781 56.100 -0.181 0.000 0.983 344 R CB 0.138 30.363 30.300 -0.126 0.000 0.874 344 R HN 0.489 nan 8.270 nan 0.000 0.451 345 L N -0.402 120.723 121.223 -0.164 0.000 2.072 345 L HA -0.044 4.293 4.340 -0.005 0.000 0.205 345 L C 2.639 179.429 176.870 -0.133 0.000 1.079 345 L CA 1.045 55.807 54.840 -0.130 0.000 0.752 345 L CB -0.625 41.367 42.059 -0.112 0.000 0.906 345 L HN 0.178 nan 8.230 nan 0.000 0.436 346 A N 0.533 123.263 122.820 -0.151 0.000 1.858 346 A HA -0.138 4.178 4.320 -0.005 0.000 0.216 346 A C 2.581 180.035 177.584 -0.216 0.000 1.190 346 A CA 1.805 53.752 52.037 -0.150 0.000 0.617 346 A CB -0.778 18.143 19.000 -0.131 0.000 0.827 346 A HN 0.366 nan 8.150 nan 0.000 0.443 347 A N -0.312 122.291 122.820 -0.362 0.000 1.877 347 A HA -0.069 4.248 4.320 -0.005 0.000 0.216 347 A C 2.202 179.559 177.584 -0.378 0.000 1.186 347 A CA 1.573 53.255 52.037 -0.593 0.000 0.620 347 A CB -0.722 17.609 19.000 -1.114 0.000 0.822 347 A HN 0.466 nan 8.150 nan 0.000 0.443 348 L N -0.467 120.606 121.223 -0.250 0.000 2.042 348 L HA -0.200 4.137 4.340 -0.005 0.000 0.210 348 L C 2.980 179.780 176.870 -0.117 0.000 1.076 348 L CA 1.630 56.392 54.840 -0.130 0.000 0.749 348 L CB -0.416 41.629 42.059 -0.023 0.000 0.893 348 L HN 0.548 nan 8.230 nan 0.000 0.432 349 S N -0.920 114.715 115.700 -0.109 0.000 2.356 349 S HA -0.208 4.259 4.470 -0.005 0.000 0.223 349 S C 2.012 176.559 174.600 -0.088 0.000 1.032 349 S CA 2.072 60.228 58.200 -0.074 0.000 1.005 349 S CB -0.273 62.887 63.200 -0.068 0.000 0.867 349 S HN 0.435 nan 8.310 nan 0.000 0.449 350 T N 2.127 116.611 114.554 -0.117 0.000 2.684 350 T HA -0.066 4.281 4.350 -0.005 0.000 0.267 350 T C 1.769 176.380 174.700 -0.149 0.000 1.036 350 T CA 1.585 63.625 62.100 -0.099 0.000 1.148 350 T CB -0.395 68.436 68.868 -0.062 0.000 0.863 350 T HN 0.426 nan 8.240 nan 0.000 0.436 351 E N 0.577 120.597 120.200 -0.299 0.000 2.158 351 E HA 0.115 4.462 4.350 -0.005 0.000 0.191 351 E C 2.236 178.645 176.600 -0.319 0.000 0.982 351 E CA 0.415 56.498 56.400 -0.527 0.000 0.823 351 E CB -0.323 28.569 29.700 -1.346 0.000 0.766 351 E HN 0.512 nan 8.360 nan 0.000 0.468 352 I N 1.644 122.138 120.570 -0.127 0.000 2.252 352 I HA -0.244 3.923 4.170 -0.005 0.000 0.245 352 I C 1.833 177.992 176.117 0.071 0.000 1.102 352 I CA 0.788 62.166 61.300 0.131 0.000 1.385 352 I CB -0.177 37.916 38.000 0.154 0.000 1.064 352 I HN 0.013 nan 8.210 nan 0.000 0.414 353 N N 0.902 119.607 118.700 0.008 0.000 2.188 353 N HA -0.123 4.614 4.740 -0.005 0.000 0.184 353 N C 1.884 177.402 175.510 0.012 0.000 1.018 353 N CA 1.028 54.083 53.050 0.009 0.000 0.858 353 N CB -0.285 38.196 38.487 -0.009 0.000 0.989 353 N HN 0.268 nan 8.380 nan 0.000 0.426 354 R N 0.419 120.916 120.500 -0.005 0.000 2.127 354 R HA 0.026 4.363 4.340 -0.005 0.000 0.238 354 R C 1.428 177.755 176.300 0.044 0.000 1.134 354 R CA 0.739 56.842 56.100 0.005 0.000 0.975 354 R CB -0.196 30.090 30.300 -0.024 0.000 0.865 354 R HN 0.214 nan 8.270 nan 0.000 0.447 355 L N -0.354 120.920 121.223 0.085 0.000 2.627 355 L HA 0.183 4.519 4.340 -0.005 0.000 0.232 355 L C 0.866 177.784 176.870 0.079 0.000 1.150 355 L CA 0.285 55.193 54.840 0.113 0.000 0.917 355 L CB 0.225 42.397 42.059 0.188 0.000 1.104 355 L HN 0.474 nan 8.230 nan 0.000 0.445 356 G N -0.186 108.647 108.800 0.056 0.000 2.132 356 G HA2 -0.212 3.745 3.960 -0.005 0.000 0.234 356 G HA3 -0.212 3.745 3.960 -0.005 0.000 0.234 356 G C 0.473 175.397 174.900 0.041 0.000 0.989 356 G CA -0.091 45.033 45.100 0.040 0.000 0.676 356 G HN 0.517 nan 8.290 nan 0.000 0.522 357 G N -1.445 107.387 108.800 0.052 0.000 2.531 357 G HA2 0.631 4.587 3.960 -0.005 0.000 0.281 357 G HA3 0.631 4.587 3.960 -0.005 0.000 0.281 357 G C -0.229 174.689 174.900 0.030 0.000 1.382 357 G CA 0.399 45.528 45.100 0.049 0.000 1.045 357 G HN 0.699 nan 8.290 nan 0.000 0.533 358 T N -0.429 114.140 114.554 0.024 0.000 3.133 358 T HA 0.365 4.712 4.350 -0.005 0.000 0.368 358 T C -1.175 173.528 174.700 0.005 0.000 1.190 358 T CA -0.279 61.826 62.100 0.009 0.000 1.282 358 T CB 0.260 69.129 68.868 0.002 0.000 1.042 358 T HN 0.662 nan 8.240 nan 0.000 0.536 359 C N 4.505 123.807 119.300 0.004 0.000 2.396 359 C HA 0.788 5.245 4.460 -0.005 0.000 0.321 359 C C -0.252 174.730 174.990 -0.013 0.000 1.233 359 C CA -0.808 58.209 59.018 -0.002 0.000 1.440 359 C CB 0.351 28.098 27.740 0.011 0.000 2.110 359 C HN 0.955 nan 8.230 nan 0.000 0.473 360 R N 4.157 124.646 120.500 -0.018 0.000 2.437 360 R HA 0.391 4.728 4.340 -0.005 0.000 0.310 360 R C -0.188 176.097 176.300 -0.025 0.000 0.955 360 R CA -0.220 55.867 56.100 -0.021 0.000 0.851 360 R CB 1.033 31.323 30.300 -0.018 0.000 1.161 360 R HN 0.920 nan 8.270 nan 0.000 0.446 361 E N 2.343 122.524 120.200 -0.031 0.000 2.414 361 E HA -0.005 4.342 4.350 -0.005 0.000 0.263 361 E C -0.624 175.960 176.600 -0.027 0.000 1.000 361 E CA 0.346 56.725 56.400 -0.035 0.000 0.914 361 E CB 0.732 30.406 29.700 -0.043 0.000 0.948 361 E HN 0.671 nan 8.360 nan 0.000 0.444 362 T N 0.825 115.364 114.554 -0.025 0.000 2.940 362 T HA 0.376 4.723 4.350 -0.005 0.000 0.288 362 T C -2.004 172.685 174.700 -0.018 0.000 1.045 362 T CA -1.733 60.356 62.100 -0.018 0.000 1.018 362 T CB 1.387 70.248 68.868 -0.012 0.000 1.151 362 T HN 0.214 nan 8.240 nan 0.000 0.529 363 P HA -0.012 nan 4.420 nan 0.000 0.220 363 P C 0.511 177.807 177.300 -0.008 0.000 1.144 363 P CA 1.204 64.299 63.100 -0.008 0.000 0.800 363 P CB 0.006 31.706 31.700 -0.001 0.000 0.772 364 D N -2.972 117.425 120.400 -0.006 0.000 2.636 364 D HA 0.305 4.941 4.640 -0.005 0.000 0.270 364 D C 0.733 177.026 176.300 -0.011 0.000 1.430 364 D CA -0.293 53.705 54.000 -0.002 0.000 0.796 364 D CB 0.293 41.102 40.800 0.015 0.000 1.117 364 D HN 0.159 nan 8.370 nan 0.000 0.480 365 G N -0.182 108.605 108.800 -0.023 0.000 2.512 365 G HA2 0.382 4.339 3.960 -0.005 0.000 0.181 365 G HA3 0.382 4.339 3.960 -0.005 0.000 0.181 365 G C -2.017 172.866 174.900 -0.027 0.000 1.173 365 G CA -0.737 44.348 45.100 -0.025 0.000 0.988 365 G HN 0.132 nan 8.290 nan 0.000 0.485 366 L N -0.081 121.131 121.223 -0.019 0.000 2.445 366 L HA 0.717 5.054 4.340 -0.005 0.000 0.262 366 L C -0.847 176.008 176.870 -0.025 0.000 0.974 366 L CA -1.096 53.730 54.840 -0.022 0.000 0.822 366 L CB 2.509 44.557 42.059 -0.018 0.000 1.339 366 L HN 0.395 nan 8.230 nan 0.000 0.409 367 V N 3.519 123.416 119.914 -0.029 0.000 2.448 367 V HA 0.536 4.653 4.120 -0.005 0.000 0.295 367 V C -0.310 175.759 176.094 -0.041 0.000 1.025 367 V CA -0.290 61.987 62.300 -0.039 0.000 0.859 367 V CB 2.013 33.818 31.823 -0.031 0.000 0.988 367 V HN 0.486 nan 8.190 nan 0.000 0.431 368 I N 3.493 124.026 120.570 -0.062 0.000 2.447 368 I HA 0.408 4.575 4.170 -0.005 0.000 0.287 368 I C -0.164 175.917 176.117 -0.060 0.000 1.023 368 I CA -0.231 61.039 61.300 -0.050 0.000 1.083 368 I CB 2.378 40.350 38.000 -0.046 0.000 1.245 368 I HN 0.490 nan 8.210 nan 0.000 0.434 369 T N 5.335 119.868 114.554 -0.035 0.000 2.749 369 T HA 0.462 4.809 4.350 -0.005 0.000 0.287 369 T C 0.282 174.970 174.700 -0.021 0.000 0.970 369 T CA -0.468 61.612 62.100 -0.033 0.000 0.980 369 T CB 1.299 70.153 68.868 -0.023 0.000 0.924 369 T HN 0.654 nan 8.240 nan 0.000 0.456 370 A N 3.533 126.336 122.820 -0.028 0.000 2.522 370 A HA 0.497 4.814 4.320 -0.005 0.000 0.256 370 A C 0.700 178.276 177.584 -0.013 0.000 1.086 370 A CA 0.074 52.100 52.037 -0.019 0.000 0.763 370 A CB -0.058 18.919 19.000 -0.038 0.000 1.024 370 A HN 0.737 nan 8.150 nan 0.000 0.502 371 T N 3.005 117.559 114.554 0.000 0.000 2.900 371 T HA 0.616 4.963 4.350 -0.005 0.000 0.303 371 T C -2.997 171.708 174.700 0.009 0.000 1.142 371 T CA -1.363 60.738 62.100 0.002 0.000 1.007 371 T CB 1.178 70.049 68.868 0.005 0.000 1.156 371 T HN 0.381 nan 8.240 nan 0.000 0.490 372 P HA 0.256 nan 4.420 nan 0.000 0.262 372 P C -0.809 176.506 177.300 0.024 0.000 1.182 372 P CA 0.103 63.210 63.100 0.012 0.000 0.761 372 P CB 0.223 31.928 31.700 0.008 0.000 0.795 373 L N 3.632 124.874 121.223 0.032 0.000 2.365 373 L HA 0.698 5.035 4.340 -0.005 0.000 0.267 373 L C 0.837 177.734 176.870 0.044 0.000 1.033 373 L CA -0.931 53.938 54.840 0.048 0.000 0.802 373 L CB 1.269 43.368 42.059 0.067 0.000 1.267 373 L HN 0.390 nan 8.230 nan 0.000 0.457 374 R N -0.296 120.236 120.500 0.053 0.000 2.905 374 R HA 0.732 5.069 4.340 -0.005 0.000 0.260 374 R C -2.926 173.408 176.300 0.056 0.000 1.086 374 R CA -2.078 54.049 56.100 0.045 0.000 0.978 374 R CB -0.671 29.651 30.300 0.036 0.000 1.215 374 R HN 0.118 nan 8.270 nan 0.000 0.480 375 P HA 0.463 nan 4.420 nan 0.000 0.272 375 P C -0.448 176.893 177.300 0.067 0.000 1.240 375 P CA -0.081 63.050 63.100 0.053 0.000 0.791 375 P CB 0.819 32.540 31.700 0.035 0.000 0.978 376 G N -0.020 108.830 108.800 0.083 0.000 2.321 376 G HA2 0.394 4.351 3.960 -0.005 0.000 0.296 376 G HA3 0.394 4.351 3.960 -0.005 0.000 0.296 376 G C -1.974 172.996 174.900 0.117 0.000 1.287 376 G CA -0.593 44.561 45.100 0.090 0.000 0.846 376 G HN 0.331 nan 8.290 nan 0.000 0.508 377 I N 1.277 121.912 120.570 0.108 0.000 2.330 377 I HA 0.266 4.433 4.170 -0.005 0.000 0.286 377 I C -0.381 175.833 176.117 0.162 0.000 1.025 377 I CA -1.080 60.293 61.300 0.121 0.000 1.197 377 I CB 1.011 39.047 38.000 0.060 0.000 1.358 377 I HN 0.556 nan 8.210 nan 0.000 0.467 378 W N 7.405 128.731 121.300 0.043 0.000 2.388 378 W HA 0.291 4.948 4.660 -0.005 0.000 0.308 378 W C -0.198 176.342 176.519 0.035 0.000 1.263 378 W CA -0.539 56.836 57.345 0.050 0.000 1.286 378 W CB 0.813 30.311 29.460 0.063 0.000 1.294 378 W HN 0.489 nan 8.180 nan 0.000 0.493 379 R N 3.647 124.023 120.500 -0.206 0.000 2.410 379 R HA 0.331 4.668 4.340 -0.005 0.000 0.288 379 R C 1.019 177.280 176.300 -0.065 0.000 1.051 379 R CA 0.362 56.344 56.100 -0.196 0.000 1.021 379 R CB 1.449 31.469 30.300 -0.467 0.000 1.032 379 R HN 0.541 nan 8.270 nan 0.000 0.481 380 A N 2.473 125.296 122.820 0.006 0.000 2.095 380 A HA 0.069 4.386 4.320 -0.005 0.000 0.212 380 A C -0.186 177.548 177.584 0.249 0.000 1.162 380 A CA 0.099 52.232 52.037 0.158 0.000 0.753 380 A CB -0.269 18.781 19.000 0.084 0.000 0.840 380 A HN 0.891 nan 8.150 nan 0.000 0.468 381 Y N -2.447 117.831 120.300 -0.038 0.000 3.825 381 Y HA -0.232 4.315 4.550 -0.005 0.000 0.221 381 Y C 1.187 177.076 175.900 -0.018 0.000 1.195 381 Y CA 0.638 58.717 58.100 -0.036 0.000 1.699 381 Y CB -2.455 35.976 38.460 -0.048 0.000 1.531 381 Y HN 1.272 nan 8.280 nan 0.000 0.640 382 A N -0.740 122.122 122.820 0.070 0.000 2.799 382 A HA -0.242 4.075 4.320 -0.005 0.000 0.287 382 A C 0.238 177.865 177.584 0.071 0.000 1.484 382 A CA 1.375 53.439 52.037 0.045 0.000 0.813 382 A CB -1.040 17.976 19.000 0.027 0.000 1.009 382 A HN 0.639 nan 8.150 nan 0.000 0.545 383 D N -1.174 119.289 120.400 0.105 0.000 2.471 383 D HA 0.461 5.098 4.640 -0.005 0.000 0.245 383 D C 1.200 177.569 176.300 0.115 0.000 1.116 383 D CA 0.001 54.083 54.000 0.136 0.000 0.853 383 D CB 0.310 41.173 40.800 0.105 0.000 1.123 383 D HN 0.636 nan 8.370 nan 0.000 0.540 384 H N 2.866 121.881 119.070 -0.090 0.000 2.400 384 H HA -0.152 4.401 4.556 -0.005 0.000 0.295 384 H C 1.194 176.404 175.328 -0.197 0.000 1.118 384 H CA 1.213 57.166 56.048 -0.158 0.000 1.256 384 H CB 0.207 29.881 29.762 -0.146 0.000 1.365 384 H HN 0.223 nan 8.280 nan 0.000 0.502 385 R N -0.095 120.120 120.500 -0.476 0.000 2.127 385 R HA 0.030 4.367 4.340 -0.005 0.000 0.217 385 R C 2.305 178.500 176.300 -0.176 0.000 1.074 385 R CA 0.864 56.727 56.100 -0.396 0.000 0.991 385 R CB -0.017 30.020 30.300 -0.437 0.000 0.895 385 R HN 0.356 nan 8.270 nan 0.000 0.450 386 M N 0.823 120.396 119.600 -0.045 0.000 2.108 386 M HA -0.124 4.353 4.480 -0.005 0.000 0.261 386 M C 2.440 178.859 176.300 0.199 0.000 1.066 386 M CA 1.669 57.068 55.300 0.165 0.000 1.107 386 M CB -0.995 31.726 32.600 0.201 0.000 1.356 386 M HN 0.150 nan 8.290 nan 0.000 0.406 387 A N 0.032 122.849 122.820 -0.005 0.000 1.877 387 A HA -0.161 4.156 4.320 -0.005 0.000 0.216 387 A C 2.227 179.561 177.584 -0.417 0.000 1.186 387 A CA 1.701 53.655 52.037 -0.138 0.000 0.620 387 A CB -0.600 18.262 19.000 -0.231 0.000 0.822 387 A HN 0.502 nan 8.150 nan 0.000 0.443 388 M N -0.525 118.713 119.600 -0.604 0.000 2.213 388 M HA -0.130 4.347 4.480 -0.005 0.000 0.263 388 M C 2.447 178.423 176.300 -0.541 0.000 1.062 388 M CA 1.267 56.072 55.300 -0.826 0.000 1.105 388 M CB -0.410 31.696 32.600 -0.824 0.000 1.385 388 M HN 0.492 nan 8.290 nan 0.000 0.417 389 A N 0.573 123.179 122.820 -0.357 0.000 1.969 389 A HA -0.016 4.300 4.320 -0.005 0.000 0.218 389 A C 2.345 179.512 177.584 -0.696 0.000 1.169 389 A CA 1.764 53.603 52.037 -0.331 0.000 0.635 389 A CB -1.374 17.577 19.000 -0.081 0.000 0.810 389 A HN 0.537 nan 8.150 nan 0.000 0.445 390 G N -0.359 107.870 108.800 -0.951 0.000 2.418 390 G HA2 -0.005 3.952 3.960 -0.005 0.000 0.217 390 G HA3 -0.005 3.952 3.960 -0.005 0.000 0.217 390 G C 1.733 176.304 174.900 -0.548 0.000 1.158 390 G CA 1.356 45.636 45.100 -1.367 0.000 0.771 390 G HN 0.778 nan 8.290 nan 0.000 0.545 391 A N 0.755 123.361 122.820 -0.358 0.000 1.933 391 A HA 0.027 4.344 4.320 -0.005 0.000 0.218 391 A C 2.387 179.943 177.584 -0.046 0.000 1.175 391 A CA 1.295 53.234 52.037 -0.163 0.000 0.628 391 A CB -0.334 18.302 19.000 -0.607 0.000 0.814 391 A HN 0.403 nan 8.150 nan 0.000 0.444 392 I N -0.066 120.416 120.570 -0.147 0.000 2.252 392 I HA -0.221 3.945 4.170 -0.005 0.000 0.245 392 I C 2.161 178.294 176.117 0.026 0.000 1.102 392 I CA 0.815 62.157 61.300 0.071 0.000 1.385 392 I CB -0.311 37.693 38.000 0.008 0.000 1.064 392 I HN 0.262 nan 8.210 nan 0.000 0.414 393 I N 1.079 121.560 120.570 -0.149 0.000 2.179 393 I HA -0.200 3.967 4.170 -0.005 0.000 0.242 393 I C 2.735 178.832 176.117 -0.033 0.000 1.088 393 I CA 1.849 63.074 61.300 -0.126 0.000 1.357 393 I CB -1.812 35.997 38.000 -0.319 0.000 1.051 393 I HN 0.260 nan 8.210 nan 0.000 0.409 394 G N 1.197 109.979 108.800 -0.031 0.000 2.462 394 G HA2 -0.209 3.748 3.960 -0.005 0.000 0.220 394 G HA3 -0.209 3.748 3.960 -0.005 0.000 0.220 394 G C 1.819 176.762 174.900 0.070 0.000 1.121 394 G CA 0.336 45.451 45.100 0.026 0.000 0.758 394 G HN 0.335 nan 8.290 nan 0.000 0.559 395 L N -0.485 120.816 121.223 0.129 0.000 2.187 395 L HA -0.042 4.295 4.340 -0.005 0.000 0.213 395 L C 2.676 179.585 176.870 0.065 0.000 1.100 395 L CA 0.990 55.902 54.840 0.121 0.000 0.765 395 L CB -0.130 42.018 42.059 0.149 0.000 0.904 395 L HN 0.122 nan 8.230 nan 0.000 0.437 396 R N -1.135 119.399 120.500 0.057 0.000 2.476 396 R HA 0.289 4.626 4.340 -0.005 0.000 0.276 396 R C -0.490 175.827 176.300 0.029 0.000 0.941 396 R CA 0.204 56.328 56.100 0.041 0.000 1.088 396 R CB 1.139 31.468 30.300 0.049 0.000 1.216 396 R HN 0.057 nan 8.270 nan 0.000 0.533 397 V N 1.489 121.419 119.914 0.027 0.000 2.419 397 V HA 0.432 4.549 4.120 -0.005 0.000 0.287 397 V C 0.142 176.247 176.094 0.019 0.000 1.017 397 V CA -1.432 60.883 62.300 0.025 0.000 0.844 397 V CB 1.381 33.224 31.823 0.033 0.000 1.011 397 V HN 0.169 nan 8.190 nan 0.000 0.429 398 A N 3.215 126.043 122.820 0.013 0.000 2.531 398 A HA 0.536 4.853 4.320 -0.005 0.000 0.236 398 A C 1.495 179.084 177.584 0.008 0.000 1.062 398 A CA 0.938 52.977 52.037 0.004 0.000 0.760 398 A CB -0.124 18.876 19.000 0.001 0.000 0.995 398 A HN 2.337 nan 8.150 nan 0.000 0.501 399 G N 0.382 109.181 108.800 -0.001 0.000 2.141 399 G HA2 -0.099 3.857 3.960 -0.005 0.000 0.231 399 G HA3 -0.099 3.857 3.960 -0.005 0.000 0.231 399 G C 0.029 174.943 174.900 0.024 0.000 0.984 399 G CA 0.028 45.133 45.100 0.007 0.000 0.660 399 G HN 1.391 nan 8.290 nan 0.000 0.525 400 V N 0.955 120.882 119.914 0.021 0.000 2.439 400 V HA 0.598 4.715 4.120 -0.005 0.000 0.282 400 V C 0.130 176.252 176.094 0.047 0.000 1.039 400 V CA -0.373 61.962 62.300 0.058 0.000 0.913 400 V CB 1.560 33.418 31.823 0.058 0.000 0.983 400 V HN 0.396 nan 8.190 nan 0.000 0.460 401 E N 3.420 123.683 120.200 0.105 0.000 2.234 401 E HA 0.511 4.858 4.350 -0.005 0.000 0.266 401 E C -1.368 175.374 176.600 0.236 0.000 0.877 401 E CA -0.791 55.686 56.400 0.129 0.000 0.758 401 E CB 2.603 32.354 29.700 0.085 0.000 1.170 401 E HN 0.389 nan 8.360 nan 0.000 0.415 402 V N 3.636 123.749 119.914 0.332 0.000 2.530 402 V HA -0.048 4.069 4.120 -0.005 0.000 0.282 402 V C 0.994 177.236 176.094 0.246 0.000 1.048 402 V CA -0.012 62.490 62.300 0.338 0.000 0.997 402 V CB 0.907 32.938 31.823 0.348 0.000 0.987 402 V HN 0.816 nan 8.190 nan 0.000 0.477 403 D N 3.038 123.537 120.400 0.165 0.000 2.144 403 D HA -0.119 4.518 4.640 -0.005 0.000 0.200 403 D C 0.682 177.031 176.300 0.081 0.000 0.978 403 D CA 0.955 55.011 54.000 0.094 0.000 0.833 403 D CB 0.102 40.915 40.800 0.022 0.000 0.961 403 D HN 0.578 nan 8.370 nan 0.000 0.470 404 D N -0.908 119.530 120.400 0.063 0.000 2.468 404 D HA 0.114 4.751 4.640 -0.005 0.000 0.272 404 D C 0.329 176.618 176.300 -0.019 0.000 1.221 404 D CA -0.630 53.384 54.000 0.023 0.000 0.860 404 D CB 0.011 40.809 40.800 -0.003 0.000 1.190 404 D HN -0.035 nan 8.370 nan 0.000 0.509 405 I N 1.906 122.450 120.570 -0.042 0.000 2.756 405 I HA 0.035 4.202 4.170 -0.005 0.000 0.262 405 I C 1.884 177.891 176.117 -0.183 0.000 1.225 405 I CA 0.964 62.129 61.300 -0.224 0.000 1.472 405 I CB 0.034 37.717 38.000 -0.528 0.000 1.094 405 I HN 0.394 nan 8.210 nan 0.000 0.454 406 A N 0.135 122.903 122.820 -0.087 0.000 2.209 406 A HA 0.111 4.428 4.320 -0.005 0.000 0.212 406 A C 2.428 179.976 177.584 -0.060 0.000 1.158 406 A CA 1.019 53.020 52.037 -0.060 0.000 0.742 406 A CB -0.894 18.092 19.000 -0.024 0.000 0.790 406 A HN 0.456 nan 8.150 nan 0.000 0.472 407 A N 0.233 123.013 122.820 -0.065 0.000 2.024 407 A HA -0.131 4.186 4.320 -0.005 0.000 0.220 407 A C 2.316 179.866 177.584 -0.055 0.000 1.164 407 A CA 2.209 54.217 52.037 -0.048 0.000 0.643 407 A CB -1.345 17.640 19.000 -0.025 0.000 0.806 407 A HN 0.773 nan 8.150 nan 0.000 0.451 408 T N -1.810 112.680 114.554 -0.106 0.000 2.977 408 T HA -0.163 4.183 4.350 -0.005 0.000 0.271 408 T C 1.679 176.351 174.700 -0.048 0.000 1.105 408 T CA 1.890 63.923 62.100 -0.112 0.000 1.116 408 T CB -1.360 67.369 68.868 -0.232 0.000 0.878 408 T HN 0.698 nan 8.240 nan 0.000 0.509 409 T N -0.486 114.039 114.554 -0.049 0.000 3.025 409 T HA -0.012 4.335 4.350 -0.005 0.000 0.270 409 T C 1.739 176.391 174.700 -0.080 0.000 1.126 409 T CA 1.040 63.116 62.100 -0.040 0.000 1.105 409 T CB -0.470 68.376 68.868 -0.036 0.000 0.884 409 T HN 0.487 nan 8.240 nan 0.000 0.522 410 K N 1.372 121.684 120.400 -0.146 0.000 2.074 410 K HA -0.153 4.164 4.320 -0.005 0.000 0.209 410 K C 1.953 178.413 176.600 -0.232 0.000 1.048 410 K CA 1.931 58.055 56.287 -0.271 0.000 0.926 410 K CB -0.129 32.023 32.500 -0.581 0.000 0.713 410 K HN 0.690 nan 8.250 nan 0.000 0.444 411 T N -3.501 110.970 114.554 -0.138 0.000 3.131 411 T HA 0.169 4.516 4.350 -0.005 0.000 0.283 411 T C -0.126 174.601 174.700 0.046 0.000 0.906 411 T CA -0.585 61.494 62.100 -0.034 0.000 0.882 411 T CB 0.633 69.528 68.868 0.046 0.000 1.208 411 T HN 0.028 nan 8.240 nan 0.000 0.561 412 L N 1.919 123.177 121.223 0.057 0.000 2.420 412 L HA 0.517 4.854 4.340 -0.005 0.000 0.260 412 L C -2.537 174.401 176.870 0.112 0.000 1.508 412 L CA -2.012 52.900 54.840 0.120 0.000 0.835 412 L CB 1.725 43.905 42.059 0.201 0.000 1.018 412 L HN -0.244 nan 8.230 nan 0.000 0.520 413 P HA -0.124 nan 4.420 nan 0.000 0.218 413 P C 0.543 177.898 177.300 0.090 0.000 1.148 413 P CA 1.309 64.442 63.100 0.056 0.000 0.822 413 P CB 0.380 32.100 31.700 0.034 0.000 0.784 414 E N -2.349 117.922 120.200 0.118 0.000 2.437 414 E HA 0.022 4.368 4.350 -0.005 0.000 0.189 414 E C 1.168 177.879 176.600 0.185 0.000 1.054 414 E CA -0.373 56.100 56.400 0.123 0.000 0.874 414 E CB -0.590 29.166 29.700 0.093 0.000 1.011 414 E HN 0.168 nan 8.360 nan 0.000 0.474 415 F N 2.671 122.677 119.950 0.092 0.000 2.063 415 F HA -0.197 4.326 4.527 -0.005 0.000 0.298 415 F C -1.064 174.823 175.800 0.144 0.000 1.109 415 F CA 1.687 59.771 58.000 0.141 0.000 1.212 415 F CB -0.907 38.069 39.000 -0.039 0.000 0.973 415 F HN 0.089 nan 8.300 nan 0.000 0.480 416 P HA -0.214 nan 4.420 nan 0.000 0.215 416 P C 1.507 178.884 177.300 0.129 0.000 1.153 416 P CA 2.099 65.212 63.100 0.023 0.000 0.853 416 P CB -0.280 31.464 31.700 0.073 0.000 0.788 417 R N -0.037 120.527 120.500 0.106 0.000 2.066 417 R HA -0.073 4.263 4.340 -0.005 0.000 0.232 417 R C 2.241 178.595 176.300 0.090 0.000 1.131 417 R CA 1.352 57.513 56.100 0.102 0.000 0.955 417 R CB -0.963 29.385 30.300 0.080 0.000 0.851 417 R HN 0.144 nan 8.270 nan 0.000 0.432 418 L N -0.387 120.890 121.223 0.089 0.000 2.131 418 L HA -0.204 4.133 4.340 -0.005 0.000 0.210 418 L C 2.470 179.454 176.870 0.190 0.000 1.092 418 L CA 1.120 56.020 54.840 0.100 0.000 0.759 418 L CB -0.527 41.599 42.059 0.111 0.000 0.903 418 L HN 0.471 nan 8.230 nan 0.000 0.435 419 W N 0.740 121.967 121.300 -0.123 0.000 2.443 419 W HA -0.130 4.528 4.660 -0.004 0.000 0.296 419 W C 2.472 178.993 176.519 0.003 0.000 1.202 419 W CA 1.317 58.568 57.345 -0.156 0.000 1.312 419 W CB 0.019 29.081 29.460 -0.664 0.000 1.120 419 W HN 0.159 nan 8.180 nan 0.000 0.536 420 A N 0.713 123.661 122.820 0.213 0.000 1.892 420 A HA -0.307 4.010 4.320 -0.005 0.000 0.218 420 A C 1.873 179.462 177.584 0.009 0.000 1.188 420 A CA 2.178 54.287 52.037 0.119 0.000 0.631 420 A CB -1.239 17.849 19.000 0.148 0.000 0.822 420 A HN 0.465 nan 8.150 nan 0.000 0.447 421 E N -1.061 119.147 120.200 0.013 0.000 2.118 421 E HA -0.228 4.119 4.350 -0.005 0.000 0.195 421 E C 2.028 178.591 176.600 -0.062 0.000 0.992 421 E CA 1.436 57.825 56.400 -0.018 0.000 0.804 421 E CB -0.176 29.520 29.700 -0.008 0.000 0.741 421 E HN 0.728 nan 8.360 nan 0.000 0.458 422 M N 0.001 119.540 119.600 -0.102 0.000 2.099 422 M HA -0.135 4.342 4.480 -0.005 0.000 0.262 422 M C 1.922 178.102 176.300 -0.199 0.000 1.067 422 M CA 1.328 56.533 55.300 -0.158 0.000 1.124 422 M CB 0.175 32.648 32.600 -0.210 0.000 1.353 422 M HN 0.015 nan 8.290 nan 0.000 0.410 423 V N 1.277 121.028 119.914 -0.272 0.000 3.041 423 V HA 0.041 4.158 4.120 -0.005 0.000 0.260 423 V C 1.630 177.654 176.094 -0.116 0.000 1.105 423 V CA 0.634 62.802 62.300 -0.221 0.000 1.125 423 V CB -2.030 29.644 31.823 -0.247 0.000 0.730 423 V HN 0.759 nan 8.190 nan 0.000 0.479 424 G N 0.000 108.747 108.800 -0.089 0.000 5.446 424 G HA2 0.000 3.957 3.960 -0.005 0.000 0.244 424 G HA3 0.000 3.957 3.960 -0.005 0.000 0.244 424 G CA 0.000 45.071 45.100 -0.049 0.000 0.502 424 G HN 0.000 nan 8.290 nan 0.000 0.925