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 2j08_1_A DATA FIRST_RESID 2 DATA SEQUENCE GPLLVWHRGD LRLHDHPALL EALARGPVVG LVVLDPNNLK TTPRRRAWFL DATA SEQUENCE ENVRALREAY RARGGALWVL EGLPWEKVPE AARRLKAKAV YALTSHTPYG DATA SEQUENCE RYRDGRVREA LPVPLHLLPA PHLLPPDLPR AYRVYTPFSR LYRGAAPPLP DATA SEQUENCE PPEALPKGPE EGEIPREDPG LPLPEPGEEA ALAGLRAFLE AKLPRYAEER DATA SEQUENCE DRLDGEGGSR LSPYFALGVL SPRLAAWEAE RRGGEGARKW VAELLWRDFS DATA SEQUENCE YHLLYHFPWM AERPLDPRFQ AFPWQEDEAL FQAWYEGKTG VPLVDAAMRE DATA SEQUENCE LHATGFLSNR ARMNAAQFAV KHLLLPWKRC EEAFRHLLLD GDRAVNLQGW DATA SEQUENCE QWAGGLGVDA APYFRVFNPV LQGERHDPEG RWLKRWAPEY PSYAPKDPVV DATA SEQUENCE DLEEARRRYL RLARDLARG 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 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 2 G C 0.000 174.901 174.900 0.001 0.000 0.946 2 G CA 0.000 45.098 45.100 -0.004 0.000 0.502 3 P HA 0.373 nan 4.420 nan 0.000 0.272 3 P C -0.191 177.117 177.300 0.013 0.000 1.230 3 P CA -0.302 62.793 63.100 -0.009 0.000 0.788 3 P CB 1.370 33.044 31.700 -0.042 0.000 0.949 4 L N 1.614 122.865 121.223 0.047 0.000 2.292 4 L HA 0.344 4.683 4.340 -0.001 0.000 0.284 4 L C 0.752 177.679 176.870 0.094 0.000 1.065 4 L CA -0.691 54.223 54.840 0.123 0.000 0.806 4 L CB 0.520 42.689 42.059 0.184 0.000 1.175 4 L HN 0.236 nan 8.230 nan 0.000 0.431 5 L N 3.538 124.819 121.223 0.097 0.000 2.371 5 L HA 0.346 4.685 4.340 -0.001 0.000 0.272 5 L C -0.481 176.491 176.870 0.169 0.000 1.124 5 L CA -0.491 54.384 54.840 0.058 0.000 0.816 5 L CB 1.599 43.649 42.059 -0.015 0.000 1.129 5 L HN 0.321 nan 8.230 nan 0.000 0.448 6 V N 3.031 123.030 119.914 0.141 0.000 2.328 6 V HA 0.138 4.257 4.120 -0.001 0.000 0.278 6 V C -0.620 175.589 176.094 0.192 0.000 1.021 6 V CA -0.536 61.846 62.300 0.136 0.000 0.838 6 V CB 1.211 33.046 31.823 0.021 0.000 0.999 6 V HN 0.616 nan 8.190 nan 0.000 0.447 7 W N 6.600 127.895 121.300 -0.008 0.000 2.357 7 W HA 0.396 5.056 4.660 -0.001 0.000 0.317 7 W C 0.143 176.663 176.519 0.002 0.000 1.101 7 W CA -0.857 56.505 57.345 0.028 0.000 1.380 7 W CB -0.107 29.375 29.460 0.037 0.000 1.266 7 W HN 0.575 nan 8.180 nan 0.000 0.419 8 H N 6.396 125.610 119.070 0.241 0.000 2.562 8 H HA 0.260 4.815 4.556 -0.001 0.000 0.314 8 H C 0.207 175.574 175.328 0.065 0.000 1.079 8 H CA -0.075 56.053 56.048 0.134 0.000 1.349 8 H CB 1.506 31.352 29.762 0.141 0.000 1.432 8 H HN 0.282 nan 8.280 nan 0.000 0.479 9 R N 1.491 122.012 120.500 0.036 0.000 1.996 9 R HA 0.231 4.570 4.340 -0.001 0.000 0.120 9 R C 1.155 177.583 176.300 0.213 0.000 1.829 9 R CA -0.035 56.099 56.100 0.056 0.000 1.637 9 R CB -0.546 29.638 30.300 -0.193 0.000 1.313 9 R HN 0.630 nan 8.270 nan 0.000 0.487 10 G N 1.382 110.265 108.800 0.138 0.000 3.197 10 G HA2 0.197 4.157 3.960 -0.001 0.000 0.257 10 G HA3 0.197 4.157 3.960 -0.001 0.000 0.257 10 G C -1.143 173.834 174.900 0.128 0.000 0.835 10 G CA 0.086 45.297 45.100 0.186 0.000 2.001 10 G HN 0.600 nan 8.290 nan 0.000 0.625 11 D N -0.284 120.221 120.400 0.175 0.000 3.285 11 D HA 0.034 4.673 4.640 -0.001 0.000 0.273 11 D C 0.183 176.663 176.300 0.301 0.000 1.295 11 D CA -0.534 53.564 54.000 0.163 0.000 0.762 11 D CB -0.310 40.520 40.800 0.051 0.000 1.379 11 D HN 0.163 nan 8.370 nan 0.000 0.612 12 L N 1.905 123.219 121.223 0.153 0.000 2.437 12 L HA 0.382 4.721 4.340 -0.001 0.000 0.243 12 L C 0.304 177.187 176.870 0.021 0.000 1.346 12 L CA 0.015 54.880 54.840 0.042 0.000 1.233 12 L CB -0.761 41.230 42.059 -0.112 0.000 1.436 12 L HN 0.316 nan 8.230 nan 0.000 0.416 13 R N 0.066 120.625 120.500 0.098 0.000 2.710 13 R HA 0.472 4.811 4.340 -0.001 0.000 0.270 13 R C -0.208 176.141 176.300 0.081 0.000 1.021 13 R CA -1.030 55.075 56.100 0.008 0.000 0.889 13 R CB 1.193 31.326 30.300 -0.278 0.000 1.243 13 R HN 0.032 nan 8.270 nan 0.000 0.464 14 L N 0.447 121.687 121.223 0.028 0.000 2.307 14 L HA 0.116 4.456 4.340 -0.001 0.000 0.211 14 L C 0.851 177.755 176.870 0.057 0.000 1.099 14 L CA 0.139 54.995 54.840 0.027 0.000 0.816 14 L CB -0.348 41.698 42.059 -0.022 0.000 0.952 14 L HN 0.650 nan 8.230 nan 0.000 0.455 15 H N -0.871 118.250 119.070 0.084 0.000 2.525 15 H HA 0.084 4.639 4.556 -0.001 0.000 0.339 15 H C -0.434 174.941 175.328 0.077 0.000 1.109 15 H CA -0.481 55.602 56.048 0.058 0.000 1.352 15 H CB 1.116 30.901 29.762 0.038 0.000 1.461 15 H HN -0.022 nan 8.280 nan 0.000 0.533 16 D N 1.132 121.608 120.400 0.127 0.000 2.735 16 D HA -0.236 4.403 4.640 -0.001 0.000 0.235 16 D C -0.981 175.311 176.300 -0.013 0.000 1.175 16 D CA 0.761 54.793 54.000 0.052 0.000 0.683 16 D CB -1.533 39.327 40.800 0.100 0.000 1.008 16 D HN 0.679 nan 8.370 nan 0.000 0.416 17 H N -0.220 118.819 119.070 -0.052 0.000 2.645 17 H HA 0.291 4.846 4.556 -0.001 0.000 0.257 17 H C -1.887 173.403 175.328 -0.062 0.000 1.269 17 H CA -1.885 54.126 56.048 -0.061 0.000 1.409 17 H CB 1.213 30.949 29.762 -0.043 0.000 1.434 17 H HN 0.081 nan 8.280 nan 0.000 0.505 18 P HA -0.135 nan 4.420 nan 0.000 0.215 18 P C 1.353 178.705 177.300 0.086 0.000 1.153 18 P CA 1.796 64.921 63.100 0.041 0.000 0.853 18 P CB 0.276 31.969 31.700 -0.011 0.000 0.788 19 A N -0.860 122.078 122.820 0.196 0.000 1.930 19 A HA -0.162 4.157 4.320 -0.001 0.000 0.217 19 A C 2.114 179.681 177.584 -0.030 0.000 1.175 19 A CA 1.284 53.400 52.037 0.130 0.000 0.627 19 A CB -1.581 17.543 19.000 0.205 0.000 0.815 19 A HN 0.141 nan 8.150 nan 0.000 0.443 20 L N 0.055 121.253 121.223 -0.040 0.000 1.994 20 L HA -0.126 4.213 4.340 -0.001 0.000 0.208 20 L C 2.305 179.096 176.870 -0.132 0.000 1.071 20 L CA 1.807 56.546 54.840 -0.169 0.000 0.745 20 L CB -0.678 41.234 42.059 -0.245 0.000 0.892 20 L HN 0.416 nan 8.230 nan 0.000 0.431 21 L N -0.776 120.399 121.223 -0.079 0.000 2.017 21 L HA -0.208 4.132 4.340 -0.001 0.000 0.208 21 L C 2.579 179.351 176.870 -0.163 0.000 1.073 21 L CA 1.547 56.327 54.840 -0.099 0.000 0.745 21 L CB -0.779 41.245 42.059 -0.058 0.000 0.894 21 L HN 0.310 nan 8.230 nan 0.000 0.432 22 E N 0.531 120.613 120.200 -0.197 0.000 2.130 22 E HA -0.238 4.111 4.350 -0.001 0.000 0.196 22 E C 2.077 178.348 176.600 -0.547 0.000 0.998 22 E CA 1.705 57.927 56.400 -0.297 0.000 0.806 22 E CB -0.073 29.483 29.700 -0.241 0.000 0.738 22 E HN 0.423 nan 8.360 nan 0.000 0.459 23 A N 0.014 122.405 122.820 -0.715 0.000 1.874 23 A HA -0.037 4.282 4.320 -0.001 0.000 0.214 23 A C 2.288 179.697 177.584 -0.292 0.000 1.189 23 A CA 0.989 52.611 52.037 -0.690 0.000 0.615 23 A CB -0.631 18.045 19.000 -0.539 0.000 0.830 23 A HN 0.317 nan 8.150 nan 0.000 0.443 24 L N -0.521 120.577 121.223 -0.208 0.000 2.079 24 L HA -0.230 4.109 4.340 -0.001 0.000 0.210 24 L C 2.978 179.785 176.870 -0.106 0.000 1.081 24 L CA 1.127 55.892 54.840 -0.125 0.000 0.752 24 L CB -0.442 41.555 42.059 -0.104 0.000 0.896 24 L HN 0.466 nan 8.230 nan 0.000 0.433 25 A N -0.483 122.264 122.820 -0.121 0.000 2.121 25 A HA -0.141 4.178 4.320 -0.001 0.000 0.218 25 A C 2.224 179.762 177.584 -0.075 0.000 1.154 25 A CA 1.048 53.032 52.037 -0.089 0.000 0.679 25 A CB -0.307 18.642 19.000 -0.084 0.000 0.795 25 A HN 0.353 nan 8.150 nan 0.000 0.458 26 R N -1.220 119.225 120.500 -0.090 0.000 2.189 26 R HA 0.291 4.630 4.340 -0.001 0.000 0.203 26 R C 0.896 177.182 176.300 -0.024 0.000 1.012 26 R CA 0.888 56.959 56.100 -0.047 0.000 1.015 26 R CB 0.180 30.464 30.300 -0.026 0.000 0.938 26 R HN 0.507 nan 8.270 nan 0.000 0.472 27 G N 1.051 109.830 108.800 -0.034 0.000 2.324 27 G HA2 0.114 4.073 3.960 -0.001 0.000 0.293 27 G HA3 0.114 4.073 3.960 -0.001 0.000 0.293 27 G C -3.116 171.773 174.900 -0.018 0.000 1.297 27 G CA -1.071 44.019 45.100 -0.016 0.000 0.853 27 G HN -0.241 nan 8.290 nan 0.000 0.535 28 P HA 0.427 nan 4.420 nan 0.000 0.269 28 P C 0.253 177.556 177.300 0.005 0.000 1.209 28 P CA -0.033 63.067 63.100 -0.001 0.000 0.776 28 P CB 1.333 33.036 31.700 0.006 0.000 0.876 29 V N 0.170 120.094 119.914 0.016 0.000 3.113 29 V HA 0.810 4.929 4.120 -0.001 0.000 0.316 29 V C -0.818 175.315 176.094 0.064 0.000 1.125 29 V CA -0.997 61.325 62.300 0.036 0.000 1.026 29 V CB 2.295 34.140 31.823 0.037 0.000 1.080 29 V HN 0.255 nan 8.190 nan 0.000 0.444 30 V N 1.269 121.216 119.914 0.056 0.000 2.655 30 V HA 0.732 4.851 4.120 -0.001 0.000 0.301 30 V C 0.594 176.713 176.094 0.041 0.000 1.082 30 V CA 0.284 62.602 62.300 0.029 0.000 0.899 30 V CB 1.470 33.198 31.823 -0.157 0.000 1.014 30 V HN 1.416 nan 8.190 nan 0.000 0.429 31 G N 2.943 111.804 108.800 0.102 0.000 2.537 31 G HA2 0.653 4.612 3.960 -0.001 0.000 0.273 31 G HA3 0.653 4.612 3.960 -0.001 0.000 0.273 31 G C -1.278 173.635 174.900 0.022 0.000 1.189 31 G CA -0.339 44.812 45.100 0.084 0.000 0.881 31 G HN 0.736 nan 8.290 nan 0.000 0.535 32 L N 0.979 122.297 121.223 0.158 0.000 2.493 32 L HA 0.640 4.980 4.340 -0.001 0.000 0.265 32 L C -0.931 176.125 176.870 0.309 0.000 0.954 32 L CA -0.592 54.357 54.840 0.181 0.000 0.844 32 L CB 2.225 44.336 42.059 0.086 0.000 1.302 32 L HN 0.383 nan 8.230 nan 0.000 0.405 33 V N 4.877 124.933 119.914 0.238 0.000 2.667 33 V HA 0.706 4.826 4.120 -0.001 0.000 0.308 33 V C -0.632 175.612 176.094 0.251 0.000 1.048 33 V CA -0.692 61.794 62.300 0.310 0.000 0.928 33 V CB 2.132 34.078 31.823 0.204 0.000 1.004 33 V HN 0.543 nan 8.190 nan 0.000 0.444 34 V N 5.008 125.117 119.914 0.324 0.000 2.487 34 V HA 0.424 4.543 4.120 -0.001 0.000 0.298 34 V C -0.286 175.949 176.094 0.235 0.000 1.028 34 V CA -0.562 61.860 62.300 0.203 0.000 0.860 34 V CB 1.778 33.694 31.823 0.154 0.000 0.991 34 V HN 0.628 nan 8.190 nan 0.000 0.427 35 L N 4.371 125.692 121.223 0.164 0.000 2.312 35 L HA 0.436 4.775 4.340 -0.001 0.000 0.287 35 L C -0.101 176.806 176.870 0.061 0.000 1.091 35 L CA -0.056 54.874 54.840 0.150 0.000 0.846 35 L CB 0.357 42.500 42.059 0.140 0.000 1.219 35 L HN 0.567 nan 8.230 nan 0.000 0.439 36 D N 6.345 126.768 120.400 0.038 0.000 2.280 36 D HA 0.214 4.853 4.640 -0.001 0.000 0.236 36 D C -1.473 174.817 176.300 -0.016 0.000 1.082 36 D CA -2.122 51.888 54.000 0.018 0.000 0.834 36 D CB 2.236 43.091 40.800 0.091 0.000 1.100 36 D HN 0.190 nan 8.370 nan 0.000 0.486 37 P HA -0.144 nan 4.420 nan 0.000 0.219 37 P C 0.865 178.136 177.300 -0.048 0.000 1.146 37 P CA 0.697 63.780 63.100 -0.028 0.000 0.808 37 P CB 0.476 32.164 31.700 -0.020 0.000 0.779 38 N N -0.090 118.577 118.700 -0.056 0.000 2.348 38 N HA -0.100 4.639 4.740 -0.001 0.000 0.185 38 N C 1.252 176.642 175.510 -0.201 0.000 1.019 38 N CA 0.950 53.896 53.050 -0.174 0.000 0.880 38 N CB -0.334 37.924 38.487 -0.382 0.000 0.965 38 N HN 0.288 nan 8.380 nan 0.000 0.437 39 N N -0.087 118.531 118.700 -0.136 0.000 2.368 39 N HA 0.137 4.876 4.740 -0.001 0.000 0.178 39 N C 1.331 176.770 175.510 -0.117 0.000 1.076 39 N CA 0.157 53.121 53.050 -0.142 0.000 0.889 39 N CB 0.470 38.834 38.487 -0.204 0.000 1.040 39 N HN 0.221 nan 8.380 nan 0.000 0.463 40 L N 0.347 121.516 121.223 -0.090 0.000 2.693 40 L HA 0.231 4.570 4.340 -0.001 0.000 0.235 40 L C 0.082 176.931 176.870 -0.036 0.000 1.127 40 L CA 0.113 54.921 54.840 -0.053 0.000 0.914 40 L CB 0.263 42.310 42.059 -0.020 0.000 1.193 40 L HN -0.219 nan 8.230 nan 0.000 0.502 41 K N 1.238 121.611 120.400 -0.046 0.000 2.083 41 K HA 0.197 4.516 4.320 -0.001 0.000 0.246 41 K C 0.091 176.641 176.600 -0.083 0.000 1.160 41 K CA 0.062 56.320 56.287 -0.049 0.000 1.060 41 K CB 0.354 32.831 32.500 -0.038 0.000 1.417 41 K HN -0.018 nan 8.250 nan 0.000 0.329 42 T N -0.526 113.966 114.554 -0.103 0.000 2.626 42 T HA 0.233 4.582 4.350 -0.001 0.000 0.299 42 T C -0.688 173.910 174.700 -0.169 0.000 1.181 42 T CA -0.645 61.328 62.100 -0.212 0.000 1.053 42 T CB 0.897 69.686 68.868 -0.132 0.000 1.566 42 T HN 0.448 nan 8.240 nan 0.000 0.486 43 T N 1.382 115.826 114.554 -0.183 0.000 2.860 43 T HA 0.359 4.708 4.350 -0.001 0.000 0.299 43 T C -1.795 172.903 174.700 -0.004 0.000 1.045 43 T CA -1.095 60.961 62.100 -0.074 0.000 1.071 43 T CB 0.354 69.204 68.868 -0.031 0.000 0.985 43 T HN 0.349 nan 8.240 nan 0.000 0.537 44 P HA -0.221 nan 4.420 nan 0.000 0.216 44 P C 1.769 179.105 177.300 0.059 0.000 1.154 44 P CA 1.409 64.531 63.100 0.037 0.000 0.865 44 P CB -0.113 31.608 31.700 0.035 0.000 0.789 45 R N 0.380 120.910 120.500 0.051 0.000 2.127 45 R HA -0.115 4.224 4.340 -0.001 0.000 0.238 45 R C 1.963 178.335 176.300 0.121 0.000 1.134 45 R CA 1.534 57.671 56.100 0.061 0.000 0.975 45 R CB -0.709 29.601 30.300 0.016 0.000 0.865 45 R HN 0.193 nan 8.270 nan 0.000 0.447 46 R N 0.100 120.675 120.500 0.125 0.000 2.128 46 R HA 0.158 4.497 4.340 -0.001 0.000 0.211 46 R C 2.490 178.925 176.300 0.226 0.000 1.067 46 R CA 0.679 56.898 56.100 0.198 0.000 1.010 46 R CB -0.103 30.290 30.300 0.155 0.000 0.922 46 R HN 0.201 nan 8.270 nan 0.000 0.457 47 R N 0.973 121.563 120.500 0.150 0.000 2.096 47 R HA -0.130 4.209 4.340 -0.001 0.000 0.240 47 R C 2.345 178.761 176.300 0.193 0.000 1.139 47 R CA 1.819 58.013 56.100 0.156 0.000 0.952 47 R CB -0.498 29.858 30.300 0.092 0.000 0.854 47 R HN 0.193 nan 8.270 nan 0.000 0.436 48 A N 0.744 123.666 122.820 0.171 0.000 1.898 48 A HA -0.196 4.123 4.320 -0.001 0.000 0.216 48 A C 1.970 179.694 177.584 0.234 0.000 1.181 48 A CA 1.054 53.191 52.037 0.166 0.000 0.620 48 A CB -1.042 18.041 19.000 0.138 0.000 0.819 48 A HN 0.646 nan 8.150 nan 0.000 0.442 49 W N -0.551 120.787 121.300 0.063 0.000 2.335 49 W HA -0.268 4.391 4.660 -0.002 0.000 0.311 49 W C 1.960 178.521 176.519 0.071 0.000 1.213 49 W CA 1.691 59.064 57.345 0.046 0.000 1.274 49 W CB -0.337 29.151 29.460 0.046 0.000 1.148 49 W HN 0.399 nan 8.180 nan 0.000 0.498 50 F N 1.251 121.235 119.950 0.055 0.000 2.102 50 F HA -0.235 4.291 4.527 -0.001 0.000 0.298 50 F C 2.320 178.063 175.800 -0.095 0.000 1.105 50 F CA 2.234 60.185 58.000 -0.082 0.000 1.239 50 F CB -0.876 38.133 39.000 0.016 0.000 0.991 50 F HN -0.254 nan 8.300 nan 0.000 0.474 51 L N -0.119 121.105 121.223 0.001 0.000 2.046 51 L HA -0.180 4.159 4.340 -0.001 0.000 0.208 51 L C 2.487 179.260 176.870 -0.162 0.000 1.077 51 L CA 1.110 55.907 54.840 -0.071 0.000 0.747 51 L CB -0.751 41.337 42.059 0.049 0.000 0.896 51 L HN 0.085 nan 8.230 nan 0.000 0.432 52 E N 0.122 120.249 120.200 -0.121 0.000 2.072 52 E HA -0.162 4.187 4.350 -0.001 0.000 0.191 52 E C 1.905 178.361 176.600 -0.240 0.000 0.985 52 E CA 0.849 57.176 56.400 -0.122 0.000 0.801 52 E CB -0.534 29.159 29.700 -0.011 0.000 0.750 52 E HN 0.509 nan 8.360 nan 0.000 0.452 53 N N 0.797 119.233 118.700 -0.439 0.000 2.205 53 N HA -0.126 4.613 4.740 -0.001 0.000 0.186 53 N C 1.985 177.251 175.510 -0.406 0.000 1.015 53 N CA 1.084 53.843 53.050 -0.485 0.000 0.862 53 N CB -0.096 37.973 38.487 -0.696 0.000 0.986 53 N HN 0.041 nan 8.380 nan 0.000 0.429 54 V N 1.415 121.046 119.914 -0.471 0.000 2.358 54 V HA -0.176 3.943 4.120 -0.001 0.000 0.246 54 V C 2.568 178.529 176.094 -0.222 0.000 1.047 54 V CA 1.377 63.458 62.300 -0.366 0.000 1.035 54 V CB -0.494 31.122 31.823 -0.346 0.000 0.658 54 V HN 0.273 nan 8.190 nan 0.000 0.452 55 R N 0.445 120.835 120.500 -0.182 0.000 2.081 55 R HA -0.153 4.186 4.340 -0.001 0.000 0.235 55 R C 2.224 178.469 176.300 -0.092 0.000 1.131 55 R CA 1.682 57.715 56.100 -0.111 0.000 0.960 55 R CB -0.424 29.828 30.300 -0.081 0.000 0.856 55 R HN 0.482 nan 8.270 nan 0.000 0.436 56 A N 0.733 123.489 122.820 -0.107 0.000 2.015 56 A HA -0.109 4.210 4.320 -0.001 0.000 0.219 56 A C 1.966 179.516 177.584 -0.056 0.000 1.163 56 A CA 0.900 52.897 52.037 -0.067 0.000 0.646 56 A CB -0.382 18.579 19.000 -0.065 0.000 0.806 56 A HN 0.395 nan 8.150 nan 0.000 0.448 57 L N -0.162 121.002 121.223 -0.099 0.000 2.109 57 L HA -0.024 4.316 4.340 -0.001 0.000 0.207 57 L C 2.384 179.268 176.870 0.023 0.000 1.086 57 L CA 2.156 56.959 54.840 -0.061 0.000 0.760 57 L CB -0.497 41.464 42.059 -0.162 0.000 0.910 57 L HN 0.461 nan 8.230 nan 0.000 0.437 58 R N -0.683 119.785 120.500 -0.054 0.000 2.081 58 R HA -0.160 4.179 4.340 -0.001 0.000 0.235 58 R C 2.052 178.379 176.300 0.044 0.000 1.131 58 R CA 1.416 57.498 56.100 -0.030 0.000 0.960 58 R CB -0.184 30.071 30.300 -0.075 0.000 0.856 58 R HN 0.356 nan 8.270 nan 0.000 0.436 59 E N 0.389 120.600 120.200 0.018 0.000 2.110 59 E HA -0.172 4.177 4.350 -0.001 0.000 0.193 59 E C 1.820 178.450 176.600 0.050 0.000 0.988 59 E CA 1.341 57.756 56.400 0.026 0.000 0.804 59 E CB -0.190 29.515 29.700 0.008 0.000 0.745 59 E HN 0.505 nan 8.360 nan 0.000 0.458 60 A N 0.036 122.894 122.820 0.064 0.000 1.930 60 A HA -0.166 4.153 4.320 -0.001 0.000 0.217 60 A C 2.006 179.637 177.584 0.079 0.000 1.175 60 A CA 1.057 53.129 52.037 0.058 0.000 0.627 60 A CB -0.654 18.371 19.000 0.042 0.000 0.815 60 A HN 0.206 nan 8.150 nan 0.000 0.443 61 Y N -0.364 119.916 120.300 -0.033 0.000 2.133 61 Y HA -0.125 4.425 4.550 -0.001 0.000 0.287 61 Y C 2.654 178.552 175.900 -0.004 0.000 1.134 61 Y CA 1.885 59.976 58.100 -0.016 0.000 1.133 61 Y CB -0.380 38.074 38.460 -0.010 0.000 0.987 61 Y HN 0.187 nan 8.280 nan 0.000 0.502 62 R N -0.375 120.228 120.500 0.170 0.000 2.117 62 R HA -0.216 4.123 4.340 -0.001 0.000 0.243 62 R C 2.308 178.644 176.300 0.059 0.000 1.143 62 R CA 1.302 57.458 56.100 0.093 0.000 0.968 62 R CB -0.525 29.809 30.300 0.057 0.000 0.863 62 R HN 0.344 nan 8.270 nan 0.000 0.444 63 A N 0.133 122.980 122.820 0.047 0.000 2.066 63 A HA -0.056 4.264 4.320 -0.001 0.000 0.218 63 A C 1.773 179.362 177.584 0.009 0.000 1.157 63 A CA 0.887 52.937 52.037 0.022 0.000 0.670 63 A CB -0.006 19.003 19.000 0.015 0.000 0.804 63 A HN 0.165 nan 8.150 nan 0.000 0.453 64 R N -1.788 118.713 120.500 0.001 0.000 2.362 64 R HA 0.270 4.609 4.340 -0.001 0.000 0.227 64 R C 1.028 177.324 176.300 -0.007 0.000 0.905 64 R CA 0.617 56.703 56.100 -0.022 0.000 1.067 64 R CB 0.310 30.568 30.300 -0.070 0.000 1.078 64 R HN 0.611 nan 8.270 nan 0.000 0.516 65 G N -0.593 108.222 108.800 0.024 0.000 2.176 65 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.232 65 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.232 65 G C 0.276 175.214 174.900 0.063 0.000 0.986 65 G CA -0.303 44.817 45.100 0.034 0.000 0.643 65 G HN 0.518 nan 8.290 nan 0.000 0.522 66 G N -0.668 108.191 108.800 0.098 0.000 2.642 66 G HA2 0.890 4.849 3.960 -0.001 0.000 0.291 66 G HA3 0.890 4.849 3.960 -0.001 0.000 0.291 66 G C -0.185 174.891 174.900 0.293 0.000 1.345 66 G CA 0.038 45.251 45.100 0.189 0.000 1.043 66 G HN 1.565 nan 8.290 nan 0.000 0.528 67 A N -0.840 122.195 122.820 0.358 0.000 2.356 67 A HA 0.666 4.985 4.320 -0.001 0.000 0.310 67 A C -1.467 176.127 177.584 0.017 0.000 1.075 67 A CA -0.466 51.698 52.037 0.213 0.000 0.746 67 A CB 1.701 20.830 19.000 0.216 0.000 1.221 67 A HN 0.982 nan 8.150 nan 0.000 0.443 68 L N 2.807 123.945 121.223 -0.141 0.000 2.377 68 L HA 0.654 4.993 4.340 -0.001 0.000 0.270 68 L C -1.429 175.469 176.870 0.047 0.000 0.991 68 L CA -0.310 54.317 54.840 -0.354 0.000 0.851 68 L CB 0.513 42.176 42.059 -0.659 0.000 1.218 68 L HN 0.730 nan 8.230 nan 0.000 0.420 69 W N 4.553 125.757 121.300 -0.160 0.000 2.181 69 W HA 0.434 5.093 4.660 -0.002 0.000 0.335 69 W C -0.180 176.287 176.519 -0.087 0.000 1.310 69 W CA -0.333 56.953 57.345 -0.098 0.000 1.226 69 W CB 0.631 30.050 29.460 -0.070 0.000 1.155 69 W HN 0.203 nan 8.180 nan 0.000 0.565 70 V N 5.473 125.403 119.914 0.026 0.000 2.525 70 V HA 0.467 4.586 4.120 -0.001 0.000 0.299 70 V C -0.151 175.948 176.094 0.009 0.000 1.034 70 V CA -0.978 61.341 62.300 0.031 0.000 0.863 70 V CB 1.127 32.939 31.823 -0.018 0.000 0.999 70 V HN 0.356 nan 8.190 nan 0.000 0.423 71 L N 3.302 124.554 121.223 0.049 0.000 2.309 71 L HA 0.728 5.068 4.340 -0.001 0.000 0.261 71 L C -0.510 176.372 176.870 0.019 0.000 1.021 71 L CA -0.689 54.161 54.840 0.017 0.000 0.823 71 L CB 2.693 44.774 42.059 0.038 0.000 1.366 71 L HN 0.622 nan 8.230 nan 0.000 0.423 72 E N -0.095 120.101 120.200 -0.007 0.000 2.234 72 E HA 0.653 5.003 4.350 -0.001 0.000 0.266 72 E C -0.461 176.115 176.600 -0.040 0.000 0.877 72 E CA -0.101 56.294 56.400 -0.007 0.000 0.758 72 E CB 2.091 31.787 29.700 -0.006 0.000 1.170 72 E HN 0.753 nan 8.360 nan 0.000 0.415 73 G N 2.438 111.203 108.800 -0.058 0.000 2.270 73 G HA2 -0.061 3.899 3.960 -0.001 0.000 0.268 73 G HA3 -0.061 3.899 3.960 -0.001 0.000 0.268 73 G C -1.291 173.489 174.900 -0.200 0.000 1.312 73 G CA -0.805 44.230 45.100 -0.108 0.000 1.050 73 G HN 0.498 nan 8.290 nan 0.000 0.474 74 L N 1.501 122.517 121.223 -0.344 0.000 2.349 74 L HA 0.320 4.659 4.340 -0.001 0.000 0.275 74 L C -1.242 175.196 176.870 -0.720 0.000 1.115 74 L CA -1.602 52.815 54.840 -0.705 0.000 0.820 74 L CB 1.425 42.830 42.059 -1.090 0.000 1.135 74 L HN 0.331 nan 8.230 nan 0.000 0.445 75 P HA -0.192 nan 4.420 nan 0.000 0.216 75 P C 0.929 178.066 177.300 -0.271 0.000 1.150 75 P CA 1.593 64.523 63.100 -0.284 0.000 0.843 75 P CB -0.024 31.764 31.700 0.146 0.000 0.787 76 W N -0.882 120.378 121.300 -0.066 0.000 2.937 76 W HA 0.237 4.896 4.660 -0.001 0.000 0.245 76 W C 1.538 178.010 176.519 -0.078 0.000 1.306 76 W CA 0.127 57.416 57.345 -0.093 0.000 1.470 76 W CB -1.044 28.375 29.460 -0.067 0.000 1.132 76 W HN 0.012 nan 8.180 nan 0.000 0.675 77 E N 0.660 120.726 120.200 -0.225 0.000 2.330 77 E HA -0.023 4.327 4.350 -0.001 0.000 0.200 77 E C 2.146 178.660 176.600 -0.143 0.000 0.922 77 E CA 0.462 56.776 56.400 -0.143 0.000 0.935 77 E CB 0.255 29.844 29.700 -0.185 0.000 0.917 77 E HN 0.098 nan 8.360 nan 0.000 0.491 78 K N 0.198 120.476 120.400 -0.204 0.000 2.242 78 K HA 0.063 4.383 4.320 -0.001 0.000 0.200 78 K C 2.057 178.527 176.600 -0.217 0.000 1.050 78 K CA 0.522 56.708 56.287 -0.168 0.000 0.981 78 K CB 0.239 32.657 32.500 -0.137 0.000 0.795 78 K HN -0.001 nan 8.250 nan 0.000 0.477 79 V N 2.340 122.041 119.914 -0.356 0.000 2.295 79 V HA -0.152 3.967 4.120 -0.001 0.000 0.246 79 V C -0.876 175.062 176.094 -0.260 0.000 1.049 79 V CA 1.760 63.789 62.300 -0.452 0.000 1.024 79 V CB -1.351 30.013 31.823 -0.765 0.000 0.648 79 V HN 0.135 nan 8.190 nan 0.000 0.447 80 P HA -0.174 nan 4.420 nan 0.000 0.216 80 P C 1.698 178.942 177.300 -0.093 0.000 1.153 80 P CA 1.541 64.571 63.100 -0.116 0.000 0.848 80 P CB 0.032 31.691 31.700 -0.068 0.000 0.787 81 E N -0.019 120.135 120.200 -0.076 0.000 2.058 81 E HA -0.239 4.110 4.350 -0.001 0.000 0.194 81 E C 1.874 178.460 176.600 -0.025 0.000 0.997 81 E CA 1.544 57.925 56.400 -0.032 0.000 0.801 81 E CB -0.562 29.133 29.700 -0.008 0.000 0.746 81 E HN 0.077 nan 8.360 nan 0.000 0.450 82 A N 1.074 123.859 122.820 -0.057 0.000 1.930 82 A HA -0.016 4.303 4.320 -0.001 0.000 0.217 82 A C 2.394 179.823 177.584 -0.257 0.000 1.175 82 A CA 1.592 53.535 52.037 -0.157 0.000 0.627 82 A CB -0.693 18.202 19.000 -0.174 0.000 0.815 82 A HN 0.436 nan 8.150 nan 0.000 0.443 83 A N -0.031 122.674 122.820 -0.192 0.000 1.892 83 A HA -0.229 4.090 4.320 -0.001 0.000 0.218 83 A C 2.290 179.801 177.584 -0.122 0.000 1.188 83 A CA 1.821 53.761 52.037 -0.160 0.000 0.631 83 A CB -0.480 18.441 19.000 -0.132 0.000 0.822 83 A HN 0.552 nan 8.150 nan 0.000 0.447 84 R N -0.949 119.500 120.500 -0.086 0.000 2.057 84 R HA -0.046 4.293 4.340 -0.001 0.000 0.229 84 R C 2.445 178.718 176.300 -0.046 0.000 1.136 84 R CA 1.477 57.546 56.100 -0.051 0.000 0.952 84 R CB -0.295 29.989 30.300 -0.026 0.000 0.848 84 R HN 0.514 nan 8.270 nan 0.000 0.430 85 R N 0.376 120.858 120.500 -0.029 0.000 2.200 85 R HA -0.097 4.242 4.340 -0.001 0.000 0.234 85 R C 1.788 178.068 176.300 -0.034 0.000 1.127 85 R CA 0.953 57.068 56.100 0.026 0.000 0.989 85 R CB -0.149 30.259 30.300 0.179 0.000 0.869 85 R HN 0.237 nan 8.270 nan 0.000 0.459 86 L N 0.043 121.167 121.223 -0.165 0.000 2.616 86 L HA 0.144 4.483 4.340 -0.001 0.000 0.229 86 L C 0.080 176.887 176.870 -0.105 0.000 1.110 86 L CA -0.019 54.712 54.840 -0.182 0.000 0.884 86 L CB 0.189 42.032 42.059 -0.360 0.000 1.115 86 L HN 0.015 nan 8.230 nan 0.000 0.481 87 K N 0.097 120.447 120.400 -0.083 0.000 3.125 87 K HA -0.172 4.147 4.320 -0.001 0.000 0.268 87 K C 0.251 176.815 176.600 -0.061 0.000 1.078 87 K CA 0.326 56.578 56.287 -0.057 0.000 0.775 87 K CB -1.728 30.752 32.500 -0.033 0.000 1.253 87 K HN 0.333 nan 8.250 nan 0.000 0.486 88 A N 0.628 123.397 122.820 -0.085 0.000 2.407 88 A HA 0.175 4.495 4.320 -0.001 0.000 0.248 88 A C 1.237 178.800 177.584 -0.035 0.000 1.082 88 A CA -0.152 51.846 52.037 -0.066 0.000 0.785 88 A CB 0.541 19.488 19.000 -0.088 0.000 1.020 88 A HN 0.212 nan 8.150 nan 0.000 0.489 89 K N 0.270 120.669 120.400 -0.001 0.000 2.305 89 K HA 0.460 4.780 4.320 -0.001 0.000 0.199 89 K C 0.574 177.178 176.600 0.007 0.000 1.047 89 K CA 0.929 57.224 56.287 0.012 0.000 0.976 89 K CB -0.228 32.298 32.500 0.042 0.000 0.765 89 K HN 1.561 nan 8.250 nan 0.000 0.474 90 A N -0.770 122.060 122.820 0.016 0.000 2.586 90 A HA 0.630 4.950 4.320 -0.001 0.000 0.291 90 A C -1.495 176.068 177.584 -0.035 0.000 1.062 90 A CA -0.662 51.345 52.037 -0.050 0.000 0.666 90 A CB 1.259 20.248 19.000 -0.018 0.000 1.281 90 A HN 0.004 nan 8.150 nan 0.000 0.421 91 V N 0.379 120.203 119.914 -0.151 0.000 2.769 91 V HA 0.662 4.782 4.120 -0.001 0.000 0.312 91 V C -1.317 174.705 176.094 -0.119 0.000 1.061 91 V CA -0.485 61.805 62.300 -0.017 0.000 0.931 91 V CB 1.632 33.451 31.823 -0.007 0.000 1.010 91 V HN 0.785 nan 8.190 nan 0.000 0.433 92 Y N 1.579 121.966 120.300 0.143 0.000 2.446 92 Y HA 0.860 5.410 4.550 -0.001 0.000 0.345 92 Y C 0.297 176.268 175.900 0.120 0.000 0.984 92 Y CA -0.279 57.904 58.100 0.139 0.000 1.058 92 Y CB 2.312 40.831 38.460 0.098 0.000 1.220 92 Y HN 0.892 nan 8.280 nan 0.000 0.455 93 A N 1.942 124.895 122.820 0.222 0.000 2.564 93 A HA 0.721 5.040 4.320 -0.001 0.000 0.291 93 A C -2.126 175.463 177.584 0.008 0.000 1.102 93 A CA -0.899 51.176 52.037 0.063 0.000 0.660 93 A CB 1.095 20.040 19.000 -0.092 0.000 1.283 93 A HN 0.660 nan 8.150 nan 0.000 0.430 94 L N 1.766 122.941 121.223 -0.081 0.000 2.276 94 L HA 0.365 4.704 4.340 -0.001 0.000 0.286 94 L C 0.455 177.234 176.870 -0.153 0.000 1.061 94 L CA -0.533 54.241 54.840 -0.110 0.000 0.807 94 L CB 1.344 43.299 42.059 -0.173 0.000 1.177 94 L HN 0.829 nan 8.230 nan 0.000 0.429 95 T N 1.559 116.034 114.554 -0.131 0.000 2.939 95 T HA -0.012 4.337 4.350 -0.001 0.000 0.319 95 T C 0.294 174.823 174.700 -0.285 0.000 1.082 95 T CA 0.206 62.172 62.100 -0.224 0.000 1.133 95 T CB 0.633 69.353 68.868 -0.248 0.000 1.019 95 T HN 0.590 nan 8.240 nan 0.000 0.548 96 S N 0.661 116.153 115.700 -0.348 0.000 2.552 96 S HA 0.336 4.805 4.470 -0.001 0.000 0.314 96 S C -0.190 174.224 174.600 -0.311 0.000 1.099 96 S CA -0.796 57.248 58.200 -0.259 0.000 1.070 96 S CB 0.443 63.542 63.200 -0.168 0.000 0.998 96 S HN 0.772 nan 8.310 nan 0.000 0.474 97 H N 2.110 121.182 119.070 0.004 0.000 2.519 97 H HA 0.215 4.770 4.556 -0.001 0.000 0.289 97 H C 1.120 176.539 175.328 0.152 0.000 1.040 97 H CA 0.349 56.441 56.048 0.073 0.000 1.165 97 H CB 0.337 30.089 29.762 -0.017 0.000 1.462 97 H HN 0.646 nan 8.280 nan 0.000 0.555 98 T N -3.000 111.645 114.554 0.152 0.000 2.902 98 T HA 0.144 4.493 4.350 -0.001 0.000 0.280 98 T C -1.706 173.077 174.700 0.139 0.000 0.992 98 T CA -2.145 60.049 62.100 0.157 0.000 1.015 98 T CB 1.815 70.774 68.868 0.151 0.000 1.044 98 T HN -0.157 nan 8.240 nan 0.000 0.520 99 P HA 0.037 nan 4.420 nan 0.000 0.225 99 P C 0.646 178.073 177.300 0.211 0.000 1.156 99 P CA 0.399 63.583 63.100 0.139 0.000 0.787 99 P CB -0.089 31.678 31.700 0.111 0.000 0.802 100 Y N 0.269 120.642 120.300 0.121 0.000 2.301 100 Y HA 0.142 4.691 4.550 -0.001 0.000 0.295 100 Y C 2.405 178.411 175.900 0.177 0.000 1.119 100 Y CA 1.473 59.680 58.100 0.179 0.000 1.162 100 Y CB -1.027 37.530 38.460 0.162 0.000 1.046 100 Y HN -0.140 nan 8.280 nan 0.000 0.538 101 G N 1.100 109.907 108.800 0.011 0.000 2.649 101 G HA2 -0.367 3.592 3.960 -0.001 0.000 0.220 101 G HA3 -0.367 3.592 3.960 -0.001 0.000 0.220 101 G C 1.863 176.678 174.900 -0.142 0.000 1.189 101 G CA 1.412 46.447 45.100 -0.109 0.000 0.777 101 G HN 0.381 nan 8.290 nan 0.000 0.602 102 R N -1.171 119.298 120.500 -0.051 0.000 2.092 102 R HA -0.065 4.275 4.340 -0.001 0.000 0.231 102 R C 2.365 178.611 176.300 -0.090 0.000 1.119 102 R CA 1.376 57.447 56.100 -0.049 0.000 0.970 102 R CB -0.446 29.867 30.300 0.022 0.000 0.864 102 R HN 0.576 nan 8.270 nan 0.000 0.440 103 Y N 1.526 121.736 120.300 -0.149 0.000 2.184 103 Y HA -0.162 4.387 4.550 -0.001 0.000 0.290 103 Y C 2.492 178.225 175.900 -0.280 0.000 1.129 103 Y CA 1.484 59.476 58.100 -0.180 0.000 1.144 103 Y CB -0.249 38.144 38.460 -0.113 0.000 0.995 103 Y HN -0.139 nan 8.280 nan 0.000 0.513 104 R N 0.470 120.580 120.500 -0.649 0.000 2.070 104 R HA -0.170 4.169 4.340 -0.001 0.000 0.232 104 R C 1.694 177.860 176.300 -0.224 0.000 1.138 104 R CA 2.181 57.994 56.100 -0.479 0.000 0.936 104 R CB -0.739 29.338 30.300 -0.372 0.000 0.839 104 R HN 0.291 nan 8.270 nan 0.000 0.429 105 D N -0.037 120.280 120.400 -0.138 0.000 2.191 105 D HA -0.169 4.470 4.640 -0.001 0.000 0.195 105 D C 1.750 177.984 176.300 -0.109 0.000 1.003 105 D CA 1.676 55.646 54.000 -0.050 0.000 0.867 105 D CB -0.695 40.056 40.800 -0.082 0.000 0.926 105 D HN 0.595 nan 8.370 nan 0.000 0.450 106 G N 0.602 109.271 108.800 -0.219 0.000 2.433 106 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.216 106 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.216 106 G C 1.745 176.487 174.900 -0.262 0.000 1.186 106 G CA 0.328 45.297 45.100 -0.219 0.000 0.779 106 G HN 0.115 nan 8.290 nan 0.000 0.543 107 R N 0.060 120.277 120.500 -0.472 0.000 2.091 107 R HA -0.059 4.280 4.340 -0.001 0.000 0.238 107 R C 2.751 178.957 176.300 -0.158 0.000 1.136 107 R CA 1.130 56.946 56.100 -0.473 0.000 0.959 107 R CB -0.978 28.678 30.300 -1.074 0.000 0.856 107 R HN 0.351 nan 8.270 nan 0.000 0.437 108 V N 0.946 120.848 119.914 -0.020 0.000 2.407 108 V HA -0.228 3.891 4.120 -0.001 0.000 0.248 108 V C 2.545 178.636 176.094 -0.005 0.000 1.055 108 V CA 1.985 64.327 62.300 0.070 0.000 1.049 108 V CB -0.578 31.323 31.823 0.129 0.000 0.662 108 V HN 0.340 nan 8.190 nan 0.000 0.455 109 R N 0.311 120.790 120.500 -0.034 0.000 2.189 109 R HA -0.138 4.201 4.340 -0.001 0.000 0.218 109 R C 2.023 178.285 176.300 -0.063 0.000 1.074 109 R CA 1.502 57.570 56.100 -0.054 0.000 0.991 109 R CB -0.117 30.146 30.300 -0.061 0.000 0.883 109 R HN 0.591 nan 8.270 nan 0.000 0.457 110 E N 0.187 120.345 120.200 -0.070 0.000 2.046 110 E HA -0.068 4.282 4.350 -0.001 0.000 0.190 110 E C 1.920 178.495 176.600 -0.041 0.000 0.982 110 E CA 1.223 57.586 56.400 -0.062 0.000 0.800 110 E CB -0.042 29.612 29.700 -0.078 0.000 0.756 110 E HN 0.478 nan 8.360 nan 0.000 0.449 111 A N 0.895 123.701 122.820 -0.024 0.000 2.014 111 A HA 0.005 4.324 4.320 -0.001 0.000 0.218 111 A C 1.103 178.673 177.584 -0.023 0.000 1.163 111 A CA 0.251 52.287 52.037 -0.002 0.000 0.652 111 A CB -0.337 18.690 19.000 0.045 0.000 0.808 111 A HN 0.108 nan 8.150 nan 0.000 0.449 112 L N 1.024 122.222 121.223 -0.042 0.000 2.455 112 L HA 0.109 4.448 4.340 -0.001 0.000 0.272 112 L C -1.123 175.710 176.870 -0.061 0.000 1.174 112 L CA -1.137 53.664 54.840 -0.064 0.000 0.869 112 L CB 0.969 42.978 42.059 -0.083 0.000 1.130 112 L HN 0.213 nan 8.230 nan 0.000 0.474 113 P HA 0.032 nan 4.420 nan 0.000 0.255 113 P C -0.309 176.954 177.300 -0.061 0.000 1.248 113 P CA 0.351 63.419 63.100 -0.052 0.000 0.807 113 P CB 0.273 31.949 31.700 -0.041 0.000 1.150 114 V N -4.386 115.479 119.914 -0.081 0.000 3.074 114 V HA 0.723 4.842 4.120 -0.001 0.000 0.314 114 V C -3.079 172.924 176.094 -0.153 0.000 1.117 114 V CA -3.149 59.093 62.300 -0.096 0.000 1.014 114 V CB 1.170 32.942 31.823 -0.085 0.000 1.057 114 V HN -0.329 nan 8.190 nan 0.000 0.438 115 P HA 0.332 nan 4.420 nan 0.000 0.269 115 P C -1.084 175.958 177.300 -0.430 0.000 1.217 115 P CA -0.065 62.812 63.100 -0.372 0.000 0.783 115 P CB 0.342 31.690 31.700 -0.587 0.000 0.898 116 L N 3.570 124.550 121.223 -0.404 0.000 2.318 116 L HA 0.325 4.664 4.340 -0.001 0.000 0.277 116 L C -0.984 175.679 176.870 -0.344 0.000 1.008 116 L CA -0.210 54.454 54.840 -0.294 0.000 0.846 116 L CB -0.028 41.967 42.059 -0.106 0.000 1.220 116 L HN 0.364 nan 8.230 nan 0.000 0.423 117 H N 6.592 125.491 119.070 -0.285 0.000 2.556 117 H HA 0.421 4.976 4.556 -0.001 0.000 0.310 117 H C -0.723 174.556 175.328 -0.081 0.000 1.057 117 H CA -0.402 55.503 56.048 -0.238 0.000 1.264 117 H CB 1.427 30.905 29.762 -0.472 0.000 1.404 117 H HN 0.533 nan 8.280 nan 0.000 0.462 118 L N 4.492 125.761 121.223 0.076 0.000 2.309 118 L HA 0.371 4.710 4.340 -0.001 0.000 0.282 118 L C -0.284 176.628 176.870 0.071 0.000 1.036 118 L CA -0.734 54.135 54.840 0.048 0.000 0.806 118 L CB 1.366 43.411 42.059 -0.023 0.000 1.220 118 L HN 0.249 nan 8.230 nan 0.000 0.429 119 L N 3.880 125.140 121.223 0.062 0.000 2.354 119 L HA 0.561 4.900 4.340 -0.001 0.000 0.269 119 L C -2.293 174.588 176.870 0.017 0.000 1.005 119 L CA -1.580 53.294 54.840 0.056 0.000 0.819 119 L CB 2.024 44.129 42.059 0.077 0.000 1.311 119 L HN 0.318 nan 8.230 nan 0.000 0.423 120 P HA 0.076 nan 4.420 nan 0.000 0.263 120 P C -0.880 176.424 177.300 0.007 0.000 1.195 120 P CA -0.153 62.982 63.100 0.059 0.000 0.762 120 P CB 0.500 32.248 31.700 0.081 0.000 0.799 121 A N 6.584 129.396 122.820 -0.013 0.000 2.445 121 A HA 0.378 4.697 4.320 -0.001 0.000 0.242 121 A C -1.921 175.555 177.584 -0.181 0.000 1.075 121 A CA -1.156 50.784 52.037 -0.162 0.000 0.777 121 A CB -0.920 17.931 19.000 -0.249 0.000 1.013 121 A HN 0.419 nan 8.150 nan 0.000 0.493 122 P HA 0.247 nan 4.420 nan 0.000 0.276 122 P C -0.781 176.412 177.300 -0.177 0.000 1.235 122 P CA 0.531 63.564 63.100 -0.112 0.000 0.772 122 P CB 0.581 32.245 31.700 -0.061 0.000 0.871 123 H N 1.558 120.671 119.070 0.072 0.000 2.946 123 H HA 0.217 4.772 4.556 -0.001 0.000 0.365 123 H C 0.868 176.267 175.328 0.119 0.000 1.197 123 H CA -0.576 55.531 56.048 0.098 0.000 1.131 123 H CB 1.784 31.611 29.762 0.108 0.000 1.849 123 H HN 0.101 nan 8.280 nan 0.000 0.555 124 L N 0.382 121.762 121.223 0.262 0.000 2.095 124 L HA 0.117 4.456 4.340 -0.001 0.000 0.204 124 L C 0.569 177.580 176.870 0.236 0.000 1.080 124 L CA 1.443 56.425 54.840 0.237 0.000 0.759 124 L CB 0.114 42.150 42.059 -0.038 0.000 0.914 124 L HN 0.277 nan 8.230 nan 0.000 0.439 125 L N -1.186 120.127 121.223 0.151 0.000 2.409 125 L HA 0.429 4.768 4.340 -0.001 0.000 0.262 125 L C -2.498 174.422 176.870 0.083 0.000 0.992 125 L CA -1.849 53.040 54.840 0.082 0.000 0.817 125 L CB 2.461 44.450 42.059 -0.117 0.000 1.350 125 L HN -0.202 nan 8.230 nan 0.000 0.411 126 P HA 0.276 nan 4.420 nan 0.000 0.278 126 P C -2.351 174.912 177.300 -0.062 0.000 1.258 126 P CA -1.450 61.587 63.100 -0.105 0.000 0.811 126 P CB 0.354 32.027 31.700 -0.045 0.000 1.063 127 P HA 0.030 nan 4.420 nan 0.000 0.255 127 P C -0.189 176.914 177.300 -0.330 0.000 1.248 127 P CA 0.853 63.893 63.100 -0.100 0.000 0.807 127 P CB 0.165 31.769 31.700 -0.160 0.000 1.150 128 D N -0.503 119.571 120.400 -0.544 0.000 2.892 128 D HA 0.132 4.771 4.640 -0.001 0.000 0.291 128 D C 0.182 176.318 176.300 -0.272 0.000 1.341 128 D CA -0.798 52.680 54.000 -0.871 0.000 0.844 128 D CB -0.294 39.709 40.800 -1.328 0.000 1.093 128 D HN -0.052 nan 8.370 nan 0.000 0.480 129 L N 2.089 123.367 121.223 0.092 0.000 2.467 129 L HA 0.177 4.517 4.340 -0.001 0.000 0.270 129 L C -0.694 176.335 176.870 0.264 0.000 1.205 129 L CA -1.409 53.549 54.840 0.197 0.000 0.828 129 L CB 0.377 42.622 42.059 0.310 0.000 1.101 129 L HN -0.102 nan 8.230 nan 0.000 0.479 130 P HA -0.195 nan 4.420 nan 0.000 0.213 130 P C 0.455 177.840 177.300 0.141 0.000 1.176 130 P CA 1.103 64.279 63.100 0.127 0.000 0.919 130 P CB 0.087 31.832 31.700 0.074 0.000 0.791 131 R N 0.576 121.117 120.500 0.068 0.000 2.594 131 R HA 0.387 4.727 4.340 -0.001 0.000 0.272 131 R C -0.288 175.890 176.300 -0.203 0.000 1.074 131 R CA -0.038 55.992 56.100 -0.118 0.000 1.105 131 R CB 0.334 30.430 30.300 -0.341 0.000 1.008 131 R HN 0.107 nan 8.270 nan 0.000 0.472 132 A N 5.078 127.727 122.820 -0.285 0.000 2.280 132 A HA 0.377 4.696 4.320 -0.001 0.000 0.320 132 A C -1.239 176.348 177.584 0.004 0.000 1.366 132 A CA -0.503 51.350 52.037 -0.307 0.000 0.938 132 A CB 0.178 19.096 19.000 -0.136 0.000 1.157 132 A HN 0.619 nan 8.150 nan 0.000 0.536 133 Y N 0.990 121.513 120.300 0.371 0.000 2.334 133 Y HA 0.455 5.005 4.550 -0.001 0.000 0.328 133 Y C 1.433 177.567 175.900 0.391 0.000 1.130 133 Y CA -0.799 57.481 58.100 0.300 0.000 1.163 133 Y CB 1.543 40.108 38.460 0.176 0.000 1.207 133 Y HN 0.695 nan 8.280 nan 0.000 0.471 134 R N 0.701 121.431 120.500 0.384 0.000 2.334 134 R HA 0.264 4.604 4.340 -0.001 0.000 0.212 134 R C -0.702 175.817 176.300 0.365 0.000 0.897 134 R CA 0.092 56.339 56.100 0.245 0.000 1.056 134 R CB 0.228 30.522 30.300 -0.010 0.000 1.046 134 R HN 0.304 nan 8.270 nan 0.000 0.513 135 V N 1.117 121.223 119.914 0.320 0.000 2.547 135 V HA 0.073 4.193 4.120 -0.001 0.000 0.299 135 V C 0.541 176.550 176.094 -0.143 0.000 1.040 135 V CA -0.811 61.586 62.300 0.162 0.000 0.913 135 V CB 1.446 33.339 31.823 0.117 0.000 0.992 135 V HN 0.093 nan 8.190 nan 0.000 0.449 136 Y N 3.141 123.051 120.300 -0.651 0.000 2.242 136 Y HA -0.183 4.366 4.550 -0.001 0.000 0.291 136 Y C 2.312 177.820 175.900 -0.654 0.000 1.137 136 Y CA 2.461 59.785 58.100 -1.293 0.000 1.181 136 Y CB 0.098 37.587 38.460 -1.619 0.000 0.989 136 Y HN 0.701 nan 8.280 nan 0.000 0.527 137 T N 1.686 116.060 114.554 -0.300 0.000 2.668 137 T HA -0.079 4.270 4.350 -0.001 0.000 0.262 137 T C -0.502 173.968 174.700 -0.383 0.000 1.045 137 T CA 1.955 63.895 62.100 -0.267 0.000 1.152 137 T CB -1.105 67.733 68.868 -0.052 0.000 0.864 137 T HN 0.235 nan 8.240 nan 0.000 0.419 138 P HA -0.086 nan 4.420 nan 0.000 0.216 138 P C 1.281 178.123 177.300 -0.764 0.000 1.153 138 P CA 0.884 63.785 63.100 -0.332 0.000 0.858 138 P CB -0.183 31.485 31.700 -0.054 0.000 0.789 139 F N 1.432 120.686 119.950 -1.159 0.000 2.069 139 F HA -0.243 4.283 4.527 -0.001 0.000 0.298 139 F C 2.245 177.515 175.800 -0.884 0.000 1.113 139 F CA 2.279 59.523 58.000 -1.260 0.000 1.214 139 F CB -0.985 37.411 39.000 -1.007 0.000 0.978 139 F HN -0.053 nan 8.300 nan 0.000 0.474 140 S N 0.328 115.361 115.700 -1.112 0.000 2.447 140 S HA -0.173 4.296 4.470 -0.001 0.000 0.233 140 S C 1.959 176.197 174.600 -0.604 0.000 1.006 140 S CA 0.897 58.474 58.200 -1.039 0.000 0.957 140 S CB -0.773 61.749 63.200 -1.130 0.000 0.773 140 S HN 0.554 nan 8.310 nan 0.000 0.507 141 R N 0.692 120.891 120.500 -0.501 0.000 2.189 141 R HA 0.198 4.538 4.340 -0.001 0.000 0.223 141 R C 1.893 178.045 176.300 -0.247 0.000 1.092 141 R CA 1.051 56.976 56.100 -0.292 0.000 0.989 141 R CB -0.572 29.594 30.300 -0.222 0.000 0.876 141 R HN 0.426 nan 8.270 nan 0.000 0.457 142 L N -0.236 120.782 121.223 -0.341 0.000 2.465 142 L HA -0.065 4.274 4.340 -0.001 0.000 0.224 142 L C 0.565 177.332 176.870 -0.170 0.000 1.145 142 L CA 0.196 54.891 54.840 -0.241 0.000 0.834 142 L CB -0.160 41.721 42.059 -0.297 0.000 0.944 142 L HN 0.162 nan 8.230 nan 0.000 0.451 143 Y N 0.539 120.640 120.300 -0.332 0.000 2.308 143 Y HA 0.220 4.770 4.550 -0.001 0.000 0.329 143 Y C 0.911 176.718 175.900 -0.154 0.000 1.111 143 Y CA -0.561 57.393 58.100 -0.244 0.000 1.179 143 Y CB 0.546 38.834 38.460 -0.287 0.000 1.201 143 Y HN -0.108 nan 8.280 nan 0.000 0.483 144 R N 4.060 124.142 120.500 -0.696 0.000 2.565 144 R HA 0.343 4.682 4.340 -0.001 0.000 0.347 144 R C -0.165 175.767 176.300 -0.613 0.000 1.010 144 R CA 0.235 56.043 56.100 -0.486 0.000 1.126 144 R CB 0.213 30.345 30.300 -0.281 0.000 1.331 144 R HN 0.968 nan 8.270 nan 0.000 0.552 145 G N 0.680 108.717 108.800 -1.272 0.000 2.650 145 G HA2 -0.050 3.910 3.960 -0.001 0.000 0.686 145 G HA3 -0.050 3.910 3.960 -0.001 0.000 0.686 145 G C -0.591 174.069 174.900 -0.400 0.000 1.205 145 G CA -0.580 44.119 45.100 -0.668 0.000 0.781 145 G HN 0.321 nan 8.290 nan 0.000 0.648 146 A N 0.909 123.769 122.820 0.067 0.000 2.477 146 A HA 0.833 5.152 4.320 -0.001 0.000 0.246 146 A C 1.237 179.003 177.584 0.305 0.000 1.078 146 A CA 1.263 53.477 52.037 0.295 0.000 0.770 146 A CB 0.346 19.630 19.000 0.473 0.000 1.011 146 A HN 2.575 nan 8.150 nan 0.000 0.494 147 A N 3.887 126.822 122.820 0.191 0.000 2.406 147 A HA 0.576 4.895 4.320 -0.001 0.000 0.243 147 A C -2.303 175.254 177.584 -0.044 0.000 1.082 147 A CA -1.213 50.890 52.037 0.111 0.000 0.786 147 A CB -0.561 18.457 19.000 0.030 0.000 1.029 147 A HN 0.643 nan 8.150 nan 0.000 0.495 148 P HA 0.193 nan 4.420 nan 0.000 0.268 148 P C -2.364 174.599 177.300 -0.562 0.000 1.204 148 P CA -0.727 61.743 63.100 -1.051 0.000 0.768 148 P CB 0.016 31.165 31.700 -0.919 0.000 0.842 149 P HA 0.142 nan 4.420 nan 0.000 0.274 149 P C -0.586 176.597 177.300 -0.196 0.000 1.246 149 P CA -0.035 62.922 63.100 -0.239 0.000 0.795 149 P CB 0.805 32.422 31.700 -0.137 0.000 1.006 150 L N 2.289 123.459 121.223 -0.089 0.000 2.357 150 L HA 0.397 4.736 4.340 -0.001 0.000 0.273 150 L C -1.764 175.091 176.870 -0.026 0.000 1.080 150 L CA -2.244 52.556 54.840 -0.066 0.000 0.803 150 L CB 0.625 42.662 42.059 -0.037 0.000 1.174 150 L HN 0.293 nan 8.230 nan 0.000 0.443 151 P HA 0.160 nan 4.420 nan 0.000 0.271 151 P C -2.641 174.671 177.300 0.020 0.000 1.233 151 P CA -1.157 61.938 63.100 -0.008 0.000 0.789 151 P CB -0.439 31.247 31.700 -0.022 0.000 0.951 152 P HA 0.292 nan 4.420 nan 0.000 0.276 152 P C -2.340 174.950 177.300 -0.018 0.000 1.261 152 P CA -1.803 61.313 63.100 0.027 0.000 0.800 152 P CB -1.093 30.633 31.700 0.044 0.000 1.066 153 P HA 0.108 nan 4.420 nan 0.000 0.271 153 P C 0.510 177.776 177.300 -0.057 0.000 1.233 153 P CA 0.154 63.214 63.100 -0.067 0.000 0.789 153 P CB 1.051 32.684 31.700 -0.110 0.000 0.951 154 E N -0.014 120.156 120.200 -0.050 0.000 2.102 154 E HA 0.215 4.564 4.350 -0.001 0.000 0.190 154 E C 0.444 177.015 176.600 -0.047 0.000 0.971 154 E CA 0.591 56.967 56.400 -0.041 0.000 0.821 154 E CB 0.143 29.825 29.700 -0.030 0.000 0.777 154 E HN 0.563 nan 8.360 nan 0.000 0.460 155 A N 0.787 123.575 122.820 -0.053 0.000 2.574 155 A HA 0.597 4.917 4.320 -0.001 0.000 0.297 155 A C -1.406 176.142 177.584 -0.060 0.000 1.062 155 A CA -0.651 51.357 52.037 -0.050 0.000 0.686 155 A CB 1.124 20.107 19.000 -0.029 0.000 1.285 155 A HN 0.063 nan 8.150 nan 0.000 0.403 156 L N 2.420 123.607 121.223 -0.061 0.000 2.330 156 L HA 0.603 4.942 4.340 -0.001 0.000 0.271 156 L C -1.974 174.888 176.870 -0.013 0.000 1.013 156 L CA -2.159 52.643 54.840 -0.064 0.000 0.816 156 L CB 2.330 44.320 42.059 -0.115 0.000 1.287 156 L HN 0.557 nan 8.230 nan 0.000 0.435 157 P HA 0.048 nan 4.420 nan 0.000 0.274 157 P C -0.845 176.482 177.300 0.044 0.000 1.237 157 P CA -0.527 62.583 63.100 0.017 0.000 0.793 157 P CB 0.944 32.652 31.700 0.013 0.000 0.977 158 K N 0.679 121.104 120.400 0.042 0.000 2.326 158 K HA 0.550 4.869 4.320 -0.001 0.000 0.275 158 K C 0.086 176.727 176.600 0.067 0.000 1.018 158 K CA 0.343 56.663 56.287 0.055 0.000 0.962 158 K CB -0.374 32.151 32.500 0.041 0.000 0.953 158 K HN 0.892 nan 8.250 nan 0.000 0.475 159 G N 3.246 112.100 108.800 0.092 0.000 2.677 159 G HA2 0.587 4.546 3.960 -0.001 0.000 0.291 159 G HA3 0.587 4.546 3.960 -0.001 0.000 0.291 159 G C -2.957 172.030 174.900 0.146 0.000 1.435 159 G CA -1.060 44.103 45.100 0.105 0.000 0.826 159 G HN 0.689 nan 8.290 nan 0.000 0.491 160 P HA 0.422 nan 4.420 nan 0.000 0.276 160 P C -0.910 176.602 177.300 0.352 0.000 1.244 160 P CA -0.397 62.834 63.100 0.219 0.000 0.801 160 P CB 1.906 33.748 31.700 0.236 0.000 1.006 161 E N 0.593 120.877 120.200 0.140 0.000 2.210 161 E HA 0.399 4.748 4.350 -0.001 0.000 0.266 161 E C -1.262 175.090 176.600 -0.413 0.000 0.883 161 E CA -0.522 55.877 56.400 -0.001 0.000 0.761 161 E CB 1.496 31.192 29.700 -0.007 0.000 1.156 161 E HN 0.350 nan 8.360 nan 0.000 0.412 162 E N 2.258 121.818 120.200 -1.066 0.000 2.343 162 E HA 0.724 5.073 4.350 -0.001 0.000 0.270 162 E C -1.084 175.101 176.600 -0.692 0.000 0.895 162 E CA 0.100 55.883 56.400 -1.029 0.000 0.767 162 E CB 1.948 30.652 29.700 -1.660 0.000 1.248 162 E HN 0.739 nan 8.360 nan 0.000 0.440 163 G N 2.152 110.699 108.800 -0.421 0.000 2.640 163 G HA2 0.138 4.098 3.960 -0.001 0.000 0.686 163 G HA3 0.138 4.098 3.960 -0.001 0.000 0.686 163 G C -1.361 173.442 174.900 -0.162 0.000 1.229 163 G CA -0.865 44.086 45.100 -0.248 0.000 0.796 163 G HN 0.393 nan 8.290 nan 0.000 0.654 164 E N -0.144 119.991 120.200 -0.109 0.000 2.191 164 E HA 0.630 4.979 4.350 -0.001 0.000 0.274 164 E C 0.280 176.849 176.600 -0.052 0.000 0.948 164 E CA -0.892 55.463 56.400 -0.076 0.000 0.802 164 E CB 1.613 31.276 29.700 -0.062 0.000 1.137 164 E HN 0.534 nan 8.360 nan 0.000 0.397 165 I N 4.810 125.353 120.570 -0.045 0.000 2.310 165 I HA 0.204 4.374 4.170 -0.001 0.000 0.287 165 I C -1.827 174.281 176.117 -0.016 0.000 1.073 165 I CA -1.764 59.518 61.300 -0.029 0.000 1.216 165 I CB 0.590 38.564 38.000 -0.043 0.000 1.415 165 I HN 0.131 nan 8.210 nan 0.000 0.480 166 P HA 0.217 nan 4.420 nan 0.000 0.273 166 P C -0.679 176.627 177.300 0.010 0.000 1.250 166 P CA -0.450 62.652 63.100 0.002 0.000 0.793 166 P CB 0.830 32.535 31.700 0.008 0.000 1.011 167 R N 1.065 121.572 120.500 0.012 0.000 2.343 167 R HA 0.397 4.736 4.340 -0.001 0.000 0.320 167 R C 0.097 176.412 176.300 0.026 0.000 0.956 167 R CA -0.448 55.662 56.100 0.018 0.000 0.836 167 R CB 1.636 31.943 30.300 0.012 0.000 1.151 167 R HN 0.555 nan 8.270 nan 0.000 0.450 168 E N 1.161 121.383 120.200 0.037 0.000 2.299 168 E HA 0.109 4.459 4.350 -0.001 0.000 0.265 168 E C -1.175 175.452 176.600 0.046 0.000 0.911 168 E CA -0.939 55.486 56.400 0.041 0.000 0.789 168 E CB 2.270 32.000 29.700 0.050 0.000 1.246 168 E HN 0.331 nan 8.360 nan 0.000 0.427 169 D N 2.644 123.068 120.400 0.040 0.000 2.336 169 D HA 0.098 4.737 4.640 -0.001 0.000 0.249 169 D C -1.473 174.854 176.300 0.046 0.000 1.213 169 D CA -2.104 51.919 54.000 0.039 0.000 0.870 169 D CB 1.069 41.887 40.800 0.030 0.000 1.076 169 D HN 0.084 nan 8.370 nan 0.000 0.483 170 P HA 0.040 nan 4.420 nan 0.000 0.223 170 P C 0.969 178.292 177.300 0.040 0.000 1.151 170 P CA 1.051 64.185 63.100 0.057 0.000 0.787 170 P CB 0.347 32.086 31.700 0.065 0.000 0.788 171 G N -0.554 108.267 108.800 0.034 0.000 2.234 171 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.260 171 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.260 171 G C -0.020 174.895 174.900 0.025 0.000 0.987 171 G CA 0.615 45.732 45.100 0.029 0.000 0.625 171 G HN 0.529 nan 8.290 nan 0.000 0.532 172 L N -3.662 117.574 121.223 0.021 0.000 2.502 172 L HA 0.921 5.260 4.340 -0.001 0.000 0.253 172 L C -2.911 173.967 176.870 0.014 0.000 1.070 172 L CA -2.912 51.938 54.840 0.016 0.000 0.871 172 L CB -0.052 42.011 42.059 0.006 0.000 1.487 172 L HN -0.151 nan 8.230 nan 0.000 0.408 173 P HA 0.480 nan 4.420 nan 0.000 0.271 173 P C -0.951 176.338 177.300 -0.018 0.000 1.226 173 P CA 0.211 63.318 63.100 0.010 0.000 0.765 173 P CB 0.523 32.234 31.700 0.018 0.000 0.835 174 L N 5.360 126.580 121.223 -0.005 0.000 2.358 174 L HA 0.546 4.885 4.340 -0.001 0.000 0.268 174 L C -1.677 175.161 176.870 -0.054 0.000 1.032 174 L CA -2.106 52.700 54.840 -0.057 0.000 0.805 174 L CB 0.268 42.364 42.059 0.061 0.000 1.253 174 L HN 0.256 nan 8.230 nan 0.000 0.452 175 P HA 0.042 nan 4.420 nan 0.000 0.274 175 P C -0.822 176.595 177.300 0.196 0.000 1.260 175 P CA -0.555 62.521 63.100 -0.041 0.000 0.793 175 P CB 0.372 31.939 31.700 -0.222 0.000 1.048 176 E N 1.720 122.064 120.200 0.241 0.000 2.265 176 E HA 0.071 4.420 4.350 -0.001 0.000 0.272 176 E C -1.929 174.920 176.600 0.415 0.000 1.067 176 E CA -1.606 54.953 56.400 0.265 0.000 0.900 176 E CB 0.071 29.874 29.700 0.172 0.000 1.017 176 E HN 0.221 nan 8.360 nan 0.000 0.431 177 P HA 0.224 nan 4.420 nan 0.000 0.274 177 P C -0.129 177.247 177.300 0.126 0.000 1.231 177 P CA 0.039 63.248 63.100 0.181 0.000 0.790 177 P CB 1.062 32.767 31.700 0.010 0.000 0.951 178 G N 1.869 110.712 108.800 0.071 0.000 2.629 178 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.686 178 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.686 178 G C 0.584 175.523 174.900 0.064 0.000 1.232 178 G CA 0.087 45.212 45.100 0.042 0.000 0.803 178 G HN 0.645 nan 8.290 nan 0.000 0.638 179 E N -0.181 120.049 120.200 0.050 0.000 2.358 179 E HA -0.045 4.304 4.350 -0.001 0.000 0.195 179 E C 1.638 178.223 176.600 -0.026 0.000 1.010 179 E CA 1.116 57.545 56.400 0.048 0.000 0.856 179 E CB 0.125 29.953 29.700 0.213 0.000 0.795 179 E HN 0.692 nan 8.360 nan 0.000 0.504 180 E N 1.025 121.218 120.200 -0.012 0.000 2.072 180 E HA -0.192 4.157 4.350 -0.001 0.000 0.191 180 E C 2.041 178.604 176.600 -0.063 0.000 0.985 180 E CA 1.133 57.514 56.400 -0.033 0.000 0.801 180 E CB -0.107 29.587 29.700 -0.011 0.000 0.750 180 E HN 0.387 nan 8.360 nan 0.000 0.452 181 A N 1.320 124.110 122.820 -0.051 0.000 1.877 181 A HA -0.116 4.203 4.320 -0.001 0.000 0.216 181 A C 2.405 179.823 177.584 -0.277 0.000 1.186 181 A CA 1.871 53.863 52.037 -0.075 0.000 0.620 181 A CB -0.800 18.237 19.000 0.062 0.000 0.822 181 A HN 0.406 nan 8.150 nan 0.000 0.443 182 A N -0.222 122.282 122.820 -0.527 0.000 1.883 182 A HA -0.066 4.253 4.320 -0.001 0.000 0.217 182 A C 2.167 179.513 177.584 -0.396 0.000 1.186 182 A CA 1.623 53.145 52.037 -0.857 0.000 0.624 182 A CB -0.653 17.811 19.000 -0.895 0.000 0.822 182 A HN 0.483 nan 8.150 nan 0.000 0.444 183 L N -0.850 120.224 121.223 -0.248 0.000 2.093 183 L HA -0.114 4.225 4.340 -0.001 0.000 0.208 183 L C 3.041 179.843 176.870 -0.115 0.000 1.085 183 L CA 0.861 55.598 54.840 -0.172 0.000 0.755 183 L CB -0.591 41.362 42.059 -0.178 0.000 0.904 183 L HN 0.404 nan 8.230 nan 0.000 0.435 184 A N 0.657 123.414 122.820 -0.105 0.000 1.908 184 A HA -0.160 4.159 4.320 -0.001 0.000 0.218 184 A C 2.427 179.978 177.584 -0.055 0.000 1.181 184 A CA 1.922 53.921 52.037 -0.065 0.000 0.627 184 A CB -1.298 17.675 19.000 -0.046 0.000 0.818 184 A HN 0.439 nan 8.150 nan 0.000 0.445 185 G N -0.227 108.520 108.800 -0.090 0.000 2.404 185 G HA2 -0.121 3.839 3.960 -0.001 0.000 0.215 185 G HA3 -0.121 3.839 3.960 -0.001 0.000 0.215 185 G C 1.511 176.413 174.900 0.003 0.000 1.174 185 G CA 1.126 46.197 45.100 -0.049 0.000 0.780 185 G HN 0.597 nan 8.290 nan 0.000 0.537 186 L N 0.592 121.796 121.223 -0.031 0.000 2.042 186 L HA 0.018 4.357 4.340 -0.001 0.000 0.210 186 L C 2.638 179.541 176.870 0.055 0.000 1.076 186 L CA 2.396 57.266 54.840 0.049 0.000 0.749 186 L CB -0.357 41.734 42.059 0.053 0.000 0.893 186 L HN 0.245 nan 8.230 nan 0.000 0.432 187 R N -0.543 119.959 120.500 0.004 0.000 2.119 187 R HA -0.036 4.303 4.340 -0.001 0.000 0.222 187 R C 2.110 178.390 176.300 -0.033 0.000 1.088 187 R CA 1.035 57.124 56.100 -0.018 0.000 0.984 187 R CB -0.312 29.973 30.300 -0.024 0.000 0.884 187 R HN 0.499 nan 8.270 nan 0.000 0.447 188 A N 1.002 123.817 122.820 -0.009 0.000 1.877 188 A HA -0.201 4.118 4.320 -0.001 0.000 0.216 188 A C 1.951 179.514 177.584 -0.036 0.000 1.186 188 A CA 1.333 53.361 52.037 -0.015 0.000 0.620 188 A CB -0.862 18.146 19.000 0.013 0.000 0.822 188 A HN 0.518 nan 8.150 nan 0.000 0.443 189 F N 0.650 120.532 119.950 -0.114 0.000 2.095 189 F HA -0.155 4.372 4.527 -0.001 0.000 0.298 189 F C 1.840 177.504 175.800 -0.228 0.000 1.104 189 F CA 1.879 59.780 58.000 -0.165 0.000 1.232 189 F CB -0.344 38.534 39.000 -0.203 0.000 0.987 189 F HN 0.129 nan 8.300 nan 0.000 0.475 190 L N -0.170 120.796 121.223 -0.428 0.000 2.275 190 L HA -0.127 4.212 4.340 -0.001 0.000 0.215 190 L C 2.465 179.092 176.870 -0.404 0.000 1.119 190 L CA 1.129 55.651 54.840 -0.530 0.000 0.790 190 L CB -0.576 41.341 42.059 -0.238 0.000 0.919 190 L HN 0.252 nan 8.230 nan 0.000 0.443 191 E N 0.019 120.050 120.200 -0.282 0.000 2.127 191 E HA -0.040 4.309 4.350 -0.001 0.000 0.191 191 E C 2.006 178.488 176.600 -0.196 0.000 0.964 191 E CA 1.110 57.396 56.400 -0.190 0.000 0.832 191 E CB 0.394 30.025 29.700 -0.115 0.000 0.790 191 E HN 0.372 nan 8.360 nan 0.000 0.465 192 A N 0.857 123.553 122.820 -0.207 0.000 1.942 192 A HA 0.038 4.358 4.320 -0.001 0.000 0.209 192 A C 1.848 179.316 177.584 -0.193 0.000 1.214 192 A CA 0.596 52.541 52.037 -0.154 0.000 0.686 192 A CB 0.092 19.044 19.000 -0.080 0.000 0.871 192 A HN 0.061 nan 8.150 nan 0.000 0.460 193 K N -0.578 119.625 120.400 -0.329 0.000 2.352 193 K HA 0.249 4.568 4.320 -0.001 0.000 0.194 193 K C 1.534 177.901 176.600 -0.387 0.000 1.038 193 K CA 0.175 56.294 56.287 -0.280 0.000 1.023 193 K CB -0.039 32.434 32.500 -0.044 0.000 0.840 193 K HN 0.254 nan 8.250 nan 0.000 0.519 194 L N 2.757 123.553 121.223 -0.713 0.000 2.013 194 L HA -0.131 4.208 4.340 -0.001 0.000 0.212 194 L C -1.151 175.611 176.870 -0.179 0.000 1.073 194 L CA 1.970 56.468 54.840 -0.571 0.000 0.753 194 L CB -0.852 40.825 42.059 -0.636 0.000 0.890 194 L HN 0.017 nan 8.230 nan 0.000 0.432 195 P HA -0.177 nan 4.420 nan 0.000 0.218 195 P C 0.911 178.208 177.300 -0.005 0.000 1.146 195 P CA 1.489 64.553 63.100 -0.061 0.000 0.820 195 P CB -0.064 31.596 31.700 -0.067 0.000 0.778 196 R N -2.997 117.508 120.500 0.007 0.000 2.472 196 R HA 0.155 4.495 4.340 -0.001 0.000 0.279 196 R C 1.550 177.896 176.300 0.076 0.000 0.953 196 R CA -0.256 55.864 56.100 0.033 0.000 1.088 196 R CB -0.814 29.493 30.300 0.011 0.000 1.197 196 R HN 0.261 nan 8.270 nan 0.000 0.536 197 Y N 1.660 121.976 120.300 0.026 0.000 2.193 197 Y HA -0.284 4.265 4.550 -0.001 0.000 0.285 197 Y C 2.014 177.977 175.900 0.106 0.000 1.166 197 Y CA 1.933 60.101 58.100 0.113 0.000 1.181 197 Y CB 0.084 38.663 38.460 0.198 0.000 0.976 197 Y HN 0.085 nan 8.280 nan 0.000 0.520 198 A N -0.633 122.197 122.820 0.016 0.000 1.984 198 A HA 0.018 4.337 4.320 -0.001 0.000 0.214 198 A C 1.863 179.391 177.584 -0.093 0.000 1.173 198 A CA 1.095 53.105 52.037 -0.043 0.000 0.673 198 A CB -0.325 18.727 19.000 0.086 0.000 0.830 198 A HN 0.435 nan 8.150 nan 0.000 0.453 199 E N 0.242 120.411 120.200 -0.050 0.000 2.274 199 E HA -0.061 4.288 4.350 -0.001 0.000 0.194 199 E C 1.393 177.952 176.600 -0.068 0.000 0.996 199 E CA 1.034 57.408 56.400 -0.042 0.000 0.840 199 E CB 0.095 29.787 29.700 -0.013 0.000 0.772 199 E HN 0.514 nan 8.360 nan 0.000 0.491 200 E N -0.404 119.729 120.200 -0.113 0.000 2.490 200 E HA 0.062 4.411 4.350 -0.001 0.000 0.209 200 E C 1.647 178.146 176.600 -0.169 0.000 0.971 200 E CA 0.060 56.405 56.400 -0.092 0.000 0.988 200 E CB 0.234 29.923 29.700 -0.018 0.000 1.029 200 E HN 0.328 nan 8.360 nan 0.000 0.496 201 R N 1.003 121.281 120.500 -0.370 0.000 2.159 201 R HA -0.047 4.292 4.340 -0.001 0.000 0.237 201 R C 0.713 176.847 176.300 -0.277 0.000 1.131 201 R CA 1.388 57.215 56.100 -0.455 0.000 0.982 201 R CB -0.168 29.623 30.300 -0.847 0.000 0.868 201 R HN -0.103 nan 8.270 nan 0.000 0.453 202 D N 0.940 121.178 120.400 -0.270 0.000 2.328 202 D HA 0.053 4.692 4.640 -0.001 0.000 0.221 202 D C 0.028 176.102 176.300 -0.376 0.000 1.072 202 D CA 0.015 53.796 54.000 -0.365 0.000 0.850 202 D CB 0.236 40.785 40.800 -0.418 0.000 0.922 202 D HN 0.284 nan 8.370 nan 0.000 0.516 203 R N 0.093 120.472 120.500 -0.201 0.000 2.863 203 R HA 0.205 4.544 4.340 -0.001 0.000 0.273 203 R C 1.531 177.640 176.300 -0.319 0.000 1.057 203 R CA -0.224 55.776 56.100 -0.166 0.000 1.191 203 R CB 0.988 31.237 30.300 -0.085 0.000 1.104 203 R HN -0.025 nan 8.270 nan 0.000 0.519 204 L N 0.715 121.674 121.223 -0.440 0.000 2.375 204 L HA -0.072 4.267 4.340 -0.001 0.000 0.215 204 L C 1.481 177.744 176.870 -1.011 0.000 1.108 204 L CA 0.703 55.030 54.840 -0.855 0.000 0.830 204 L CB -0.213 41.115 42.059 -1.217 0.000 0.959 204 L HN 0.775 nan 8.230 nan 0.000 0.457 205 D N -0.424 119.618 120.400 -0.597 0.000 2.317 205 D HA -0.056 4.584 4.640 -0.001 0.000 0.211 205 D C 1.547 177.897 176.300 0.083 0.000 0.966 205 D CA 0.898 54.816 54.000 -0.138 0.000 0.876 205 D CB -0.165 40.743 40.800 0.180 0.000 0.927 205 D HN 0.169 nan 8.370 nan 0.000 0.519 206 G N 0.324 109.123 108.800 -0.002 0.000 2.153 206 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.252 206 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.252 206 G C 0.865 175.872 174.900 0.178 0.000 0.994 206 G CA 0.423 45.592 45.100 0.115 0.000 0.698 206 G HN 0.343 nan 8.290 nan 0.000 0.521 207 E N -0.189 120.091 120.200 0.133 0.000 2.442 207 E HA 0.087 4.437 4.350 -0.001 0.000 0.195 207 E C 2.384 179.072 176.600 0.148 0.000 1.030 207 E CA 0.829 57.315 56.400 0.143 0.000 0.869 207 E CB -0.220 29.559 29.700 0.132 0.000 0.857 207 E HN 0.569 nan 8.360 nan 0.000 0.505 208 G N 0.596 109.478 108.800 0.136 0.000 2.920 208 G HA2 0.107 4.066 3.960 -0.001 0.000 0.208 208 G HA3 0.107 4.066 3.960 -0.001 0.000 0.208 208 G C 0.767 175.885 174.900 0.364 0.000 1.159 208 G CA 0.476 45.685 45.100 0.182 0.000 0.784 208 G HN 0.232 nan 8.290 nan 0.000 0.535 209 G N -0.427 108.589 108.800 0.361 0.000 2.753 209 G HA2 0.401 4.360 3.960 -0.001 0.000 0.285 209 G HA3 0.401 4.360 3.960 -0.001 0.000 0.285 209 G C 1.156 176.147 174.900 0.152 0.000 1.344 209 G CA 0.618 45.980 45.100 0.436 0.000 1.050 209 G HN 0.314 nan 8.290 nan 0.000 0.532 210 S N -1.698 113.880 115.700 -0.203 0.000 2.478 210 S HA 0.051 4.521 4.470 -0.001 0.000 0.222 210 S C 1.234 175.769 174.600 -0.108 0.000 1.008 210 S CA 0.494 58.357 58.200 -0.562 0.000 0.928 210 S CB -0.097 62.516 63.200 -0.979 0.000 0.781 210 S HN 0.643 nan 8.310 nan 0.000 0.518 211 R N 0.150 120.642 120.500 -0.013 0.000 3.333 211 R HA -0.104 4.236 4.340 -0.001 0.000 0.256 211 R C -0.114 176.192 176.300 0.010 0.000 1.010 211 R CA 0.797 56.828 56.100 -0.115 0.000 0.680 211 R CB -2.162 27.964 30.300 -0.291 0.000 1.102 211 R HN 0.527 nan 8.270 nan 0.000 0.440 212 L N -1.272 120.047 121.223 0.161 0.000 2.731 212 L HA 0.051 4.390 4.340 -0.001 0.000 0.240 212 L C 2.096 179.130 176.870 0.274 0.000 1.120 212 L CA 0.598 55.563 54.840 0.209 0.000 0.913 212 L CB 0.336 42.403 42.059 0.014 0.000 1.213 212 L HN 0.334 nan 8.230 nan 0.000 0.515 213 S N 0.649 116.588 115.700 0.398 0.000 2.400 213 S HA -0.146 4.324 4.470 -0.001 0.000 0.234 213 S C -0.600 174.193 174.600 0.322 0.000 1.049 213 S CA 1.217 59.683 58.200 0.443 0.000 1.039 213 S CB -1.819 61.609 63.200 0.381 0.000 0.856 213 S HN 0.252 nan 8.310 nan 0.000 0.465 214 P HA -0.038 nan 4.420 nan 0.000 0.218 214 P C 0.842 178.335 177.300 0.322 0.000 1.149 214 P CA 1.098 64.260 63.100 0.104 0.000 0.817 214 P CB -0.218 31.232 31.700 -0.417 0.000 0.785 215 Y N -2.199 118.302 120.300 0.335 0.000 2.220 215 Y HA -0.040 4.510 4.550 -0.001 0.000 0.291 215 Y C 2.130 178.110 175.900 0.134 0.000 1.129 215 Y CA 0.937 59.147 58.100 0.182 0.000 1.161 215 Y CB -1.190 37.240 38.460 -0.051 0.000 0.997 215 Y HN -0.113 nan 8.280 nan 0.000 0.522 216 F N -0.706 119.465 119.950 0.368 0.000 2.365 216 F HA -0.144 4.382 4.527 -0.001 0.000 0.300 216 F C 2.379 178.330 175.800 0.253 0.000 1.090 216 F CA 0.470 58.632 58.000 0.269 0.000 1.408 216 F CB -0.323 38.810 39.000 0.221 0.000 1.060 216 F HN 0.029 nan 8.300 nan 0.000 0.534 217 A N 0.080 123.164 122.820 0.440 0.000 1.929 217 A HA -0.037 4.283 4.320 -0.001 0.000 0.216 217 A C 1.924 179.694 177.584 0.311 0.000 1.176 217 A CA 1.024 53.282 52.037 0.368 0.000 0.628 217 A CB -0.720 18.497 19.000 0.362 0.000 0.816 217 A HN 0.406 nan 8.150 nan 0.000 0.444 218 L N -1.005 120.388 121.223 0.284 0.000 2.611 218 L HA 0.236 4.575 4.340 -0.001 0.000 0.229 218 L C 1.504 178.483 176.870 0.181 0.000 1.137 218 L CA 0.392 55.364 54.840 0.221 0.000 0.901 218 L CB -0.234 41.877 42.059 0.088 0.000 1.098 218 L HN 0.544 nan 8.230 nan 0.000 0.456 219 G N 0.178 109.104 108.800 0.210 0.000 2.179 219 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.257 219 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.257 219 G C 0.745 175.722 174.900 0.129 0.000 1.010 219 G CA 0.463 45.661 45.100 0.164 0.000 0.736 219 G HN 0.189 nan 8.290 nan 0.000 0.513 220 V N -1.167 118.839 119.914 0.154 0.000 2.759 220 V HA 0.202 4.321 4.120 -0.001 0.000 0.256 220 V C 1.133 177.344 176.094 0.196 0.000 1.080 220 V CA 1.715 64.105 62.300 0.149 0.000 1.101 220 V CB -0.093 31.867 31.823 0.227 0.000 0.698 220 V HN 0.435 nan 8.190 nan 0.000 0.477 221 L N -0.865 120.475 121.223 0.195 0.000 2.401 221 L HA 0.559 4.899 4.340 -0.001 0.000 0.266 221 L C -0.186 176.911 176.870 0.378 0.000 0.991 221 L CA -0.128 54.869 54.840 0.262 0.000 0.818 221 L CB 2.035 44.022 42.059 -0.119 0.000 1.321 221 L HN -0.028 nan 8.230 nan 0.000 0.413 222 S N 4.515 120.491 115.700 0.460 0.000 2.537 222 S HA 0.522 4.991 4.470 -0.001 0.000 0.275 222 S C -1.779 173.069 174.600 0.412 0.000 1.272 222 S CA -1.204 57.194 58.200 0.329 0.000 1.050 222 S CB 1.016 64.370 63.200 0.257 0.000 0.961 222 S HN 0.582 nan 8.310 nan 0.000 0.496 223 P HA -0.047 nan 4.420 nan 0.000 0.225 223 P C 1.194 178.605 177.300 0.185 0.000 1.156 223 P CA 0.594 63.797 63.100 0.172 0.000 0.787 223 P CB 0.043 31.749 31.700 0.009 0.000 0.802 224 R N 0.087 120.699 120.500 0.186 0.000 2.153 224 R HA 0.041 4.380 4.340 -0.001 0.000 0.218 224 R C 2.267 178.731 176.300 0.272 0.000 1.072 224 R CA 0.400 56.626 56.100 0.210 0.000 0.990 224 R CB -0.807 29.586 30.300 0.155 0.000 0.889 224 R HN 0.129 nan 8.270 nan 0.000 0.452 225 L N 0.707 122.093 121.223 0.271 0.000 2.027 225 L HA -0.049 4.291 4.340 -0.001 0.000 0.206 225 L C 2.488 179.583 176.870 0.376 0.000 1.074 225 L CA 1.679 56.698 54.840 0.298 0.000 0.745 225 L CB -0.440 41.777 42.059 0.262 0.000 0.898 225 L HN 0.308 nan 8.230 nan 0.000 0.433 226 A N -0.038 123.032 122.820 0.418 0.000 1.892 226 A HA -0.273 4.047 4.320 -0.001 0.000 0.218 226 A C 2.418 180.309 177.584 0.512 0.000 1.188 226 A CA 2.160 54.516 52.037 0.533 0.000 0.631 226 A CB -1.147 18.290 19.000 0.729 0.000 0.822 226 A HN 0.606 nan 8.150 nan 0.000 0.447 227 A N -1.301 121.744 122.820 0.375 0.000 1.873 227 A HA -0.159 4.160 4.320 -0.001 0.000 0.215 227 A C 2.121 179.910 177.584 0.342 0.000 1.186 227 A CA 1.451 53.685 52.037 0.328 0.000 0.616 227 A CB -0.969 18.189 19.000 0.262 0.000 0.823 227 A HN 0.909 nan 8.150 nan 0.000 0.442 228 W N 0.994 122.410 121.300 0.193 0.000 2.335 228 W HA -0.195 4.464 4.660 -0.002 0.000 0.311 228 W C 1.646 178.245 176.519 0.133 0.000 1.213 228 W CA 2.074 59.505 57.345 0.143 0.000 1.274 228 W CB -0.441 29.087 29.460 0.114 0.000 1.148 228 W HN 0.536 nan 8.180 nan 0.000 0.498 229 E N 0.277 120.650 120.200 0.289 0.000 2.110 229 E HA -0.150 4.199 4.350 -0.001 0.000 0.193 229 E C 2.477 179.111 176.600 0.057 0.000 0.988 229 E CA 1.549 58.035 56.400 0.144 0.000 0.804 229 E CB -0.374 29.458 29.700 0.220 0.000 0.745 229 E HN 0.246 nan 8.360 nan 0.000 0.458 230 A N 0.762 123.679 122.820 0.162 0.000 1.969 230 A HA -0.196 4.123 4.320 -0.001 0.000 0.218 230 A C 1.810 179.418 177.584 0.041 0.000 1.169 230 A CA 1.256 53.373 52.037 0.133 0.000 0.635 230 A CB -0.267 18.947 19.000 0.356 0.000 0.810 230 A HN 0.166 nan 8.150 nan 0.000 0.445 231 E N -0.576 119.622 120.200 -0.004 0.000 2.152 231 E HA -0.101 4.248 4.350 -0.001 0.000 0.192 231 E C 2.257 178.727 176.600 -0.216 0.000 0.983 231 E CA 0.598 56.940 56.400 -0.097 0.000 0.818 231 E CB -0.066 29.576 29.700 -0.096 0.000 0.758 231 E HN 0.513 nan 8.360 nan 0.000 0.467 232 R N 0.298 120.613 120.500 -0.309 0.000 2.092 232 R HA 0.010 4.349 4.340 -0.001 0.000 0.231 232 R C 2.327 178.541 176.300 -0.143 0.000 1.119 232 R CA 0.596 56.532 56.100 -0.273 0.000 0.970 232 R CB -0.025 30.102 30.300 -0.288 0.000 0.864 232 R HN 0.017 nan 8.270 nan 0.000 0.440 233 R N 0.353 120.790 120.500 -0.106 0.000 2.073 233 R HA -0.014 4.326 4.340 -0.001 0.000 0.229 233 R C 1.093 177.350 176.300 -0.073 0.000 1.120 233 R CA 1.091 57.140 56.100 -0.085 0.000 0.967 233 R CB -0.447 29.798 30.300 -0.092 0.000 0.862 233 R HN 0.377 nan 8.270 nan 0.000 0.436 234 G N -0.821 107.943 108.800 -0.060 0.000 2.645 234 G HA2 -0.080 3.879 3.960 -0.001 0.000 0.246 234 G HA3 -0.080 3.879 3.960 -0.001 0.000 0.246 234 G C 0.223 175.109 174.900 -0.023 0.000 1.322 234 G CA -0.004 45.073 45.100 -0.038 0.000 0.898 234 G HN 0.783 nan 8.290 nan 0.000 0.573 235 G N -1.937 106.857 108.800 -0.012 0.000 2.660 235 G HA2 0.124 4.083 3.960 -0.001 0.000 0.215 235 G HA3 0.124 4.083 3.960 -0.001 0.000 0.215 235 G C 0.672 175.586 174.900 0.023 0.000 1.345 235 G CA 0.905 46.003 45.100 -0.003 0.000 0.877 235 G HN 1.462 nan 8.290 nan 0.000 0.549 236 E N 0.083 120.301 120.200 0.030 0.000 2.042 236 E HA -0.038 4.311 4.350 -0.001 0.000 0.189 236 E C 2.785 179.447 176.600 0.104 0.000 0.974 236 E CA 1.496 57.932 56.400 0.060 0.000 0.806 236 E CB -0.746 28.985 29.700 0.051 0.000 0.769 236 E HN 0.886 nan 8.360 nan 0.000 0.451 237 G N 1.178 110.038 108.800 0.100 0.000 2.507 237 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.221 237 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.221 237 G C 1.618 176.636 174.900 0.196 0.000 1.119 237 G CA 1.416 46.622 45.100 0.177 0.000 0.751 237 G HN 0.406 nan 8.290 nan 0.000 0.574 238 A N 0.662 123.553 122.820 0.118 0.000 1.898 238 A HA 0.033 4.352 4.320 -0.001 0.000 0.216 238 A C 2.463 180.163 177.584 0.194 0.000 1.181 238 A CA 1.398 53.516 52.037 0.134 0.000 0.620 238 A CB -0.323 18.718 19.000 0.068 0.000 0.819 238 A HN 0.332 nan 8.150 nan 0.000 0.442 239 R N -0.667 119.928 120.500 0.157 0.000 2.120 239 R HA -0.128 4.211 4.340 -0.001 0.000 0.234 239 R C 2.057 178.470 176.300 0.188 0.000 1.123 239 R CA 1.618 57.812 56.100 0.156 0.000 0.975 239 R CB -0.196 30.175 30.300 0.117 0.000 0.866 239 R HN 0.452 nan 8.270 nan 0.000 0.446 240 K N -0.131 120.419 120.400 0.250 0.000 2.242 240 K HA -0.087 4.233 4.320 -0.001 0.000 0.200 240 K C 1.569 178.381 176.600 0.352 0.000 1.050 240 K CA 0.502 56.970 56.287 0.301 0.000 0.981 240 K CB -0.245 32.468 32.500 0.355 0.000 0.795 240 K HN 0.084 nan 8.250 nan 0.000 0.477 241 W N 0.240 121.571 121.300 0.051 0.000 2.388 241 W HA -0.083 4.577 4.660 -0.001 0.000 0.294 241 W C 1.386 177.859 176.519 -0.076 0.000 1.212 241 W CA 1.133 58.325 57.345 -0.256 0.000 1.271 241 W CB -0.124 29.145 29.460 -0.318 0.000 1.126 241 W HN -0.127 nan 8.180 nan 0.000 0.535 242 V N 0.761 120.728 119.914 0.089 0.000 2.871 242 V HA -0.145 3.975 4.120 -0.001 0.000 0.256 242 V C 2.325 178.347 176.094 -0.119 0.000 1.082 242 V CA 1.589 63.850 62.300 -0.066 0.000 1.105 242 V CB -1.184 30.689 31.823 0.083 0.000 0.713 242 V HN 0.237 nan 8.190 nan 0.000 0.473 243 A N -0.365 122.461 122.820 0.011 0.000 2.015 243 A HA -0.138 4.181 4.320 -0.001 0.000 0.219 243 A C 2.153 179.823 177.584 0.143 0.000 1.163 243 A CA 1.309 53.409 52.037 0.104 0.000 0.646 243 A CB -0.243 18.867 19.000 0.185 0.000 0.806 243 A HN 0.479 nan 8.150 nan 0.000 0.448 244 E N 0.262 120.454 120.200 -0.014 0.000 2.112 244 E HA -0.057 4.292 4.350 -0.001 0.000 0.190 244 E C 2.011 178.505 176.600 -0.176 0.000 0.979 244 E CA 0.717 57.071 56.400 -0.077 0.000 0.814 244 E CB -0.520 29.067 29.700 -0.187 0.000 0.762 244 E HN 0.679 nan 8.360 nan 0.000 0.460 245 L N 0.440 121.422 121.223 -0.402 0.000 2.079 245 L HA -0.172 4.167 4.340 -0.001 0.000 0.210 245 L C 2.559 179.329 176.870 -0.168 0.000 1.081 245 L CA 0.898 55.484 54.840 -0.423 0.000 0.752 245 L CB -0.532 41.211 42.059 -0.527 0.000 0.896 245 L HN 0.093 nan 8.230 nan 0.000 0.433 246 L N -1.746 119.415 121.223 -0.103 0.000 2.131 246 L HA -0.212 4.128 4.340 -0.001 0.000 0.210 246 L C 2.323 179.343 176.870 0.250 0.000 1.092 246 L CA 1.338 56.179 54.840 0.002 0.000 0.759 246 L CB -0.380 41.580 42.059 -0.165 0.000 0.903 246 L HN 0.362 nan 8.230 nan 0.000 0.435 247 W N -0.047 121.322 121.300 0.115 0.000 2.465 247 W HA -0.141 4.518 4.660 -0.002 0.000 0.268 247 W C 2.782 179.314 176.519 0.023 0.000 1.242 247 W CA 1.013 58.420 57.345 0.102 0.000 1.248 247 W CB -0.123 29.238 29.460 -0.166 0.000 1.118 247 W HN 0.080 nan 8.180 nan 0.000 0.587 248 R N 0.507 121.088 120.500 0.136 0.000 2.066 248 R HA -0.148 4.192 4.340 -0.001 0.000 0.232 248 R C 1.689 177.923 176.300 -0.109 0.000 1.131 248 R CA 2.063 58.132 56.100 -0.051 0.000 0.955 248 R CB -0.537 29.729 30.300 -0.056 0.000 0.851 248 R HN -0.031 nan 8.270 nan 0.000 0.432 249 D N 0.004 120.498 120.400 0.156 0.000 2.149 249 D HA -0.186 4.454 4.640 -0.001 0.000 0.198 249 D C 1.545 177.962 176.300 0.195 0.000 0.990 249 D CA 0.996 55.188 54.000 0.319 0.000 0.839 249 D CB -0.285 40.734 40.800 0.366 0.000 0.948 249 D HN 0.189 nan 8.370 nan 0.000 0.460 250 F N 2.023 121.913 119.950 -0.101 0.000 2.134 250 F HA -0.211 4.315 4.527 -0.001 0.000 0.299 250 F C 2.343 177.954 175.800 -0.317 0.000 1.097 250 F CA 1.269 58.896 58.000 -0.621 0.000 1.264 250 F CB -0.507 38.154 39.000 -0.564 0.000 1.001 250 F HN -0.146 nan 8.300 nan 0.000 0.479 251 S N -0.122 115.401 115.700 -0.295 0.000 2.380 251 S HA -0.307 4.162 4.470 -0.001 0.000 0.229 251 S C 1.870 176.276 174.600 -0.323 0.000 1.043 251 S CA 2.057 60.032 58.200 -0.375 0.000 1.038 251 S CB -1.201 61.798 63.200 -0.336 0.000 0.872 251 S HN 0.618 nan 8.310 nan 0.000 0.456 252 Y N 0.518 120.815 120.300 -0.005 0.000 2.263 252 Y HA -0.097 4.452 4.550 -0.001 0.000 0.292 252 Y C 2.650 178.542 175.900 -0.013 0.000 1.130 252 Y CA 1.179 59.289 58.100 0.017 0.000 1.179 252 Y CB -0.721 37.771 38.460 0.052 0.000 0.998 252 Y HN 0.344 nan 8.280 nan 0.000 0.532 253 H N 0.530 119.585 119.070 -0.025 0.000 2.390 253 H HA -0.192 4.363 4.556 -0.001 0.000 0.298 253 H C 1.801 177.117 175.328 -0.020 0.000 1.106 253 H CA 2.085 58.106 56.048 -0.046 0.000 1.297 253 H CB -0.334 29.230 29.762 -0.330 0.000 1.375 253 H HN 0.280 nan 8.280 nan 0.000 0.509 254 L N -0.942 120.134 121.223 -0.245 0.000 2.095 254 L HA -0.066 4.273 4.340 -0.001 0.000 0.204 254 L C 2.233 179.039 176.870 -0.105 0.000 1.080 254 L CA 0.508 55.242 54.840 -0.176 0.000 0.759 254 L CB -0.213 41.655 42.059 -0.319 0.000 0.914 254 L HN 0.287 nan 8.230 nan 0.000 0.439 255 L N -1.326 119.853 121.223 -0.073 0.000 2.275 255 L HA -0.210 4.129 4.340 -0.001 0.000 0.215 255 L C 2.243 179.073 176.870 -0.067 0.000 1.119 255 L CA 1.590 56.404 54.840 -0.043 0.000 0.790 255 L CB -0.630 41.456 42.059 0.045 0.000 0.919 255 L HN 0.201 nan 8.230 nan 0.000 0.443 256 Y N -0.666 119.524 120.300 -0.183 0.000 2.184 256 Y HA -0.217 4.332 4.550 -0.001 0.000 0.290 256 Y C 2.297 177.916 175.900 -0.469 0.000 1.129 256 Y CA 2.074 60.005 58.100 -0.281 0.000 1.144 256 Y CB -0.131 38.136 38.460 -0.322 0.000 0.995 256 Y HN 0.385 nan 8.280 nan 0.000 0.513 257 H N -2.175 116.556 119.070 -0.566 0.000 2.544 257 H HA 0.180 4.735 4.556 -0.001 0.000 0.269 257 H C -0.260 174.368 175.328 -1.166 0.000 0.970 257 H CA 0.895 56.376 56.048 -0.945 0.000 1.219 257 H CB 0.006 28.975 29.762 -1.323 0.000 1.421 257 H HN 0.235 nan 8.280 nan 0.000 0.555 258 F N -0.568 119.144 119.950 -0.397 0.000 2.577 258 F HA 0.285 4.811 4.527 -0.001 0.000 0.342 258 F C -1.968 173.262 175.800 -0.950 0.000 1.479 258 F CA -1.847 55.609 58.000 -0.906 0.000 1.110 258 F CB 1.583 40.034 39.000 -0.915 0.000 1.306 258 F HN -0.033 nan 8.300 nan 0.000 0.554 259 P HA -0.183 nan 4.420 nan 0.000 0.219 259 P C 1.447 178.712 177.300 -0.059 0.000 1.146 259 P CA 1.545 64.525 63.100 -0.199 0.000 0.808 259 P CB -0.056 31.594 31.700 -0.084 0.000 0.779 260 W N -1.541 119.821 121.300 0.102 0.000 2.770 260 W HA 0.227 4.886 4.660 -0.001 0.000 0.256 260 W C 1.698 178.306 176.519 0.149 0.000 1.291 260 W CA 0.033 57.446 57.345 0.113 0.000 1.396 260 W CB -1.631 27.891 29.460 0.104 0.000 1.114 260 W HN -0.030 nan 8.180 nan 0.000 0.637 261 M N 2.430 122.007 119.600 -0.038 0.000 2.192 261 M HA -0.204 4.275 4.480 -0.001 0.000 0.259 261 M C 2.130 178.550 176.300 0.200 0.000 1.071 261 M CA 2.601 57.904 55.300 0.005 0.000 1.082 261 M CB -0.219 32.233 32.600 -0.246 0.000 1.373 261 M HN -0.008 nan 8.290 nan 0.000 0.408 262 A N -0.719 122.218 122.820 0.195 0.000 2.209 262 A HA -0.128 4.191 4.320 -0.001 0.000 0.212 262 A C 1.913 179.698 177.584 0.336 0.000 1.158 262 A CA 1.482 53.674 52.037 0.258 0.000 0.742 262 A CB -0.592 18.498 19.000 0.151 0.000 0.790 262 A HN 0.759 nan 8.150 nan 0.000 0.472 263 E N -0.242 120.184 120.200 0.376 0.000 2.340 263 E HA 0.032 4.381 4.350 -0.001 0.000 0.198 263 E C 0.351 177.270 176.600 0.532 0.000 0.961 263 E CA 0.063 56.655 56.400 0.320 0.000 0.905 263 E CB 0.253 30.100 29.700 0.246 0.000 0.884 263 E HN 0.735 nan 8.360 nan 0.000 0.491 264 R N -0.131 120.791 120.500 0.703 0.000 2.663 264 R HA 0.423 4.763 4.340 -0.001 0.000 0.267 264 R C -3.113 173.418 176.300 0.385 0.000 1.038 264 R CA -2.069 54.449 56.100 0.697 0.000 0.886 264 R CB 0.590 31.165 30.300 0.457 0.000 1.249 264 R HN -0.265 nan 8.270 nan 0.000 0.463 265 P HA -0.067 nan 4.420 nan 0.000 0.260 265 P C 0.966 178.365 177.300 0.165 0.000 1.172 265 P CA 0.130 63.210 63.100 -0.033 0.000 0.760 265 P CB 0.444 32.206 31.700 0.103 0.000 0.773 266 L N 1.615 122.884 121.223 0.077 0.000 2.085 266 L HA -0.225 4.114 4.340 -0.001 0.000 0.218 266 L C 1.048 178.019 176.870 0.169 0.000 1.080 266 L CA 1.628 56.547 54.840 0.131 0.000 0.776 266 L CB -0.325 41.667 42.059 -0.112 0.000 0.891 266 L HN 0.475 nan 8.230 nan 0.000 0.437 267 D N -0.905 119.549 120.400 0.091 0.000 2.336 267 D HA 0.086 4.725 4.640 -0.001 0.000 0.249 267 D C -1.623 174.808 176.300 0.218 0.000 1.213 267 D CA -2.207 51.878 54.000 0.141 0.000 0.870 267 D CB 1.398 42.267 40.800 0.114 0.000 1.076 267 D HN -0.089 nan 8.370 nan 0.000 0.483 268 P HA -0.197 nan 4.420 nan 0.000 0.217 268 P C 1.338 178.698 177.300 0.100 0.000 1.148 268 P CA 1.846 64.999 63.100 0.089 0.000 0.834 268 P CB 0.114 31.830 31.700 0.027 0.000 0.783 269 R N -1.170 119.411 120.500 0.136 0.000 2.237 269 R HA -0.072 4.268 4.340 -0.001 0.000 0.219 269 R C 1.689 177.930 176.300 -0.099 0.000 1.080 269 R CA 1.306 57.414 56.100 0.014 0.000 0.995 269 R CB -2.160 28.125 30.300 -0.024 0.000 0.875 269 R HN 0.229 nan 8.270 nan 0.000 0.462 270 F N 0.583 120.566 119.950 0.055 0.000 2.765 270 F HA 0.207 4.733 4.527 -0.001 0.000 0.302 270 F C 2.174 178.081 175.800 0.179 0.000 1.111 270 F CA -0.078 58.001 58.000 0.131 0.000 1.359 270 F CB 0.386 39.477 39.000 0.150 0.000 1.097 270 F HN 0.245 nan 8.300 nan 0.000 0.577 271 Q N 0.214 120.148 119.800 0.223 0.000 2.245 271 Q HA 0.104 4.443 4.340 -0.001 0.000 0.201 271 Q C 1.197 177.292 176.000 0.157 0.000 0.955 271 Q CA 0.849 56.788 55.803 0.227 0.000 0.870 271 Q CB 0.049 28.877 28.738 0.150 0.000 0.945 271 Q HN 0.275 nan 8.270 nan 0.000 0.461 272 A N 0.347 123.190 122.820 0.038 0.000 3.249 272 A HA 0.302 4.621 4.320 -0.001 0.000 0.297 272 A C -1.002 176.478 177.584 -0.174 0.000 1.302 272 A CA -0.431 51.573 52.037 -0.055 0.000 1.074 272 A CB -0.457 18.482 19.000 -0.102 0.000 1.132 272 A HN 0.255 nan 8.150 nan 0.000 0.575 273 F N 2.199 121.926 119.950 -0.371 0.000 2.421 273 F HA 0.580 5.106 4.527 -0.001 0.000 0.337 273 F C -2.012 173.194 175.800 -0.990 0.000 1.105 273 F CA -2.194 55.372 58.000 -0.724 0.000 1.049 273 F CB 2.034 40.470 39.000 -0.939 0.000 1.139 273 F HN 0.204 nan 8.300 nan 0.000 0.479 274 P HA 0.112 nan 4.420 nan 0.000 0.232 274 P C -1.267 175.947 177.300 -0.143 0.000 1.814 274 P CA -0.267 62.600 63.100 -0.389 0.000 1.085 274 P CB -0.524 30.973 31.700 -0.337 0.000 1.901 275 W N 1.637 123.144 121.300 0.344 0.000 2.274 275 W HA 0.094 4.753 4.660 -0.001 0.000 0.345 275 W C 0.689 177.288 176.519 0.134 0.000 1.265 275 W CA -0.473 57.009 57.345 0.228 0.000 1.293 275 W CB 0.106 29.661 29.460 0.158 0.000 1.175 275 W HN 0.295 nan 8.180 nan 0.000 0.577 276 Q N 1.833 121.855 119.800 0.370 0.000 2.454 276 Q HA 0.125 4.464 4.340 -0.001 0.000 0.255 276 Q C -0.390 175.727 176.000 0.195 0.000 1.034 276 Q CA -0.786 55.148 55.803 0.220 0.000 0.736 276 Q CB 1.421 30.269 28.738 0.185 0.000 1.210 276 Q HN 0.349 nan 8.270 nan 0.000 0.500 277 E N 2.047 122.336 120.200 0.149 0.000 2.408 277 E HA 0.086 4.435 4.350 -0.001 0.000 0.259 277 E C -0.842 175.820 176.600 0.103 0.000 1.110 277 E CA 0.393 56.851 56.400 0.097 0.000 0.929 277 E CB 0.647 30.370 29.700 0.039 0.000 0.971 277 E HN 0.416 nan 8.360 nan 0.000 0.438 278 D N 2.763 123.229 120.400 0.111 0.000 2.227 278 D HA -0.022 4.618 4.640 -0.001 0.000 0.176 278 D C 0.035 176.437 176.300 0.171 0.000 1.228 278 D CA -0.253 53.825 54.000 0.130 0.000 1.043 278 D CB 0.094 40.980 40.800 0.142 0.000 1.758 278 D HN 0.478 nan 8.370 nan 0.000 0.544 279 E N 2.575 122.860 120.200 0.143 0.000 2.058 279 E HA -0.109 4.240 4.350 -0.001 0.000 0.194 279 E C 1.922 178.654 176.600 0.220 0.000 0.997 279 E CA 2.198 58.706 56.400 0.180 0.000 0.801 279 E CB -0.079 29.692 29.700 0.119 0.000 0.746 279 E HN 0.541 nan 8.360 nan 0.000 0.450 280 A N 0.699 123.619 122.820 0.167 0.000 1.869 280 A HA -0.239 4.081 4.320 -0.001 0.000 0.218 280 A C 2.393 180.091 177.584 0.189 0.000 1.203 280 A CA 1.860 53.991 52.037 0.156 0.000 0.638 280 A CB -0.995 18.080 19.000 0.125 0.000 0.831 280 A HN 0.367 nan 8.150 nan 0.000 0.450 281 L N -2.412 118.935 121.223 0.208 0.000 2.027 281 L HA -0.149 4.190 4.340 -0.001 0.000 0.206 281 L C 2.509 179.555 176.870 0.294 0.000 1.074 281 L CA 1.802 56.784 54.840 0.236 0.000 0.745 281 L CB -0.667 41.527 42.059 0.225 0.000 0.898 281 L HN 0.518 nan 8.230 nan 0.000 0.433 282 F N 1.155 121.239 119.950 0.224 0.000 2.063 282 F HA -0.362 4.164 4.527 -0.001 0.000 0.298 282 F C 2.759 178.798 175.800 0.399 0.000 1.105 282 F CA 1.864 60.041 58.000 0.295 0.000 1.215 282 F CB -0.257 38.846 39.000 0.171 0.000 0.972 282 F HN 0.130 nan 8.300 nan 0.000 0.483 283 Q N 0.140 120.069 119.800 0.215 0.000 2.124 283 Q HA -0.138 4.201 4.340 -0.001 0.000 0.202 283 Q C 2.461 178.536 176.000 0.125 0.000 0.977 283 Q CA 1.606 57.513 55.803 0.173 0.000 0.850 283 Q CB -1.074 27.786 28.738 0.202 0.000 0.901 283 Q HN 0.572 nan 8.270 nan 0.000 0.429 284 A N -0.770 122.139 122.820 0.149 0.000 1.930 284 A HA -0.126 4.193 4.320 -0.001 0.000 0.215 284 A C 1.873 179.539 177.584 0.136 0.000 1.176 284 A CA 0.893 53.005 52.037 0.125 0.000 0.632 284 A CB -0.891 18.197 19.000 0.145 0.000 0.819 284 A HN 0.502 nan 8.150 nan 0.000 0.445 285 W N -0.264 121.055 121.300 0.032 0.000 2.332 285 W HA -0.271 4.388 4.660 -0.001 0.000 0.321 285 W C 1.978 178.505 176.519 0.014 0.000 1.219 285 W CA 2.174 59.544 57.345 0.042 0.000 1.277 285 W CB -0.858 28.652 29.460 0.085 0.000 1.161 285 W HN 0.437 nan 8.180 nan 0.000 0.476 286 Y N 1.536 121.640 120.300 -0.327 0.000 2.139 286 Y HA -0.239 4.310 4.550 -0.001 0.000 0.282 286 Y C 1.891 177.620 175.900 -0.285 0.000 1.179 286 Y CA 2.471 60.250 58.100 -0.535 0.000 1.161 286 Y CB -0.448 37.735 38.460 -0.463 0.000 0.970 286 Y HN -0.011 nan 8.280 nan 0.000 0.511 287 E N -0.402 119.595 120.200 -0.338 0.000 2.465 287 E HA 0.191 4.540 4.350 -0.001 0.000 0.195 287 E C 1.051 177.466 176.600 -0.309 0.000 1.028 287 E CA 0.540 56.688 56.400 -0.421 0.000 0.899 287 E CB -0.352 29.211 29.700 -0.229 0.000 1.032 287 E HN 0.460 nan 8.360 nan 0.000 0.468 288 G N 3.008 111.643 108.800 -0.275 0.000 2.393 288 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.299 288 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.299 288 G C 0.316 175.172 174.900 -0.075 0.000 0.990 288 G CA 0.412 45.408 45.100 -0.174 0.000 1.118 288 G HN 0.011 nan 8.290 nan 0.000 0.513 289 K N 0.253 120.633 120.400 -0.033 0.000 3.045 289 K HA 0.209 4.528 4.320 -0.001 0.000 0.211 289 K C 1.642 178.283 176.600 0.069 0.000 1.141 289 K CA 0.506 56.809 56.287 0.027 0.000 1.036 289 K CB 0.366 32.876 32.500 0.016 0.000 0.851 289 K HN 0.552 nan 8.250 nan 0.000 0.462 290 T N -3.890 110.696 114.554 0.054 0.000 3.037 290 T HA 0.154 4.503 4.350 -0.001 0.000 0.251 290 T C 1.352 176.088 174.700 0.060 0.000 1.079 290 T CA 0.760 62.904 62.100 0.072 0.000 1.067 290 T CB 0.321 69.203 68.868 0.023 0.000 0.948 290 T HN 0.357 nan 8.240 nan 0.000 0.496 291 G N 0.704 109.535 108.800 0.051 0.000 2.179 291 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.220 291 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.220 291 G C -0.004 174.774 174.900 -0.203 0.000 0.990 291 G CA -0.174 44.967 45.100 0.068 0.000 0.646 291 G HN 0.689 nan 8.290 nan 0.000 0.517 292 V N 1.752 121.490 119.914 -0.293 0.000 2.320 292 V HA 0.293 4.412 4.120 -0.001 0.000 0.265 292 V C -0.337 175.450 176.094 -0.512 0.000 1.048 292 V CA -0.783 61.287 62.300 -0.383 0.000 0.865 292 V CB 1.366 32.948 31.823 -0.401 0.000 1.043 292 V HN 0.018 nan 8.190 nan 0.000 0.474 293 P HA -0.230 nan 4.420 nan 0.000 0.218 293 P C 1.723 178.914 177.300 -0.183 0.000 1.154 293 P CA 1.211 63.881 63.100 -0.717 0.000 0.872 293 P CB 0.215 31.592 31.700 -0.538 0.000 0.790 294 L N -1.200 120.045 121.223 0.037 0.000 2.179 294 L HA -0.029 4.310 4.340 -0.001 0.000 0.208 294 L C 1.893 178.841 176.870 0.129 0.000 1.096 294 L CA 1.817 56.829 54.840 0.288 0.000 0.779 294 L CB -1.200 41.074 42.059 0.359 0.000 0.922 294 L HN -0.157 nan 8.230 nan 0.000 0.443 295 V N -0.009 119.854 119.914 -0.086 0.000 2.649 295 V HA -0.089 4.030 4.120 -0.001 0.000 0.248 295 V C 1.998 178.031 176.094 -0.101 0.000 1.054 295 V CA 1.369 63.593 62.300 -0.127 0.000 1.073 295 V CB -0.543 31.046 31.823 -0.391 0.000 0.699 295 V HN 0.354 nan 8.190 nan 0.000 0.463 296 D N 0.830 121.170 120.400 -0.100 0.000 2.234 296 D HA 0.001 4.640 4.640 -0.001 0.000 0.205 296 D C 2.186 178.451 176.300 -0.058 0.000 0.962 296 D CA 1.290 55.260 54.000 -0.050 0.000 0.855 296 D CB -0.126 40.716 40.800 0.071 0.000 0.951 296 D HN 0.418 nan 8.370 nan 0.000 0.500 297 A N 1.413 124.184 122.820 -0.080 0.000 1.858 297 A HA -0.034 4.285 4.320 -0.001 0.000 0.216 297 A C 2.343 179.737 177.584 -0.317 0.000 1.190 297 A CA 2.163 54.037 52.037 -0.271 0.000 0.617 297 A CB -0.796 17.841 19.000 -0.604 0.000 0.827 297 A HN 0.230 nan 8.150 nan 0.000 0.443 298 A N -0.846 121.965 122.820 -0.015 0.000 1.858 298 A HA -0.146 4.173 4.320 -0.001 0.000 0.216 298 A C 2.159 179.668 177.584 -0.124 0.000 1.190 298 A CA 2.188 54.274 52.037 0.082 0.000 0.617 298 A CB -0.537 18.586 19.000 0.205 0.000 0.827 298 A HN 0.411 nan 8.150 nan 0.000 0.443 299 M N -0.383 119.134 119.600 -0.138 0.000 2.213 299 M HA -0.101 4.378 4.480 -0.001 0.000 0.263 299 M C 2.082 178.278 176.300 -0.173 0.000 1.062 299 M CA 1.423 56.595 55.300 -0.213 0.000 1.105 299 M CB -1.246 31.159 32.600 -0.326 0.000 1.385 299 M HN 0.430 nan 8.290 nan 0.000 0.417 300 R N -0.419 119.976 120.500 -0.175 0.000 2.119 300 R HA -0.076 4.263 4.340 -0.001 0.000 0.222 300 R C 2.126 178.284 176.300 -0.238 0.000 1.088 300 R CA 0.981 57.003 56.100 -0.131 0.000 0.984 300 R CB -0.262 30.009 30.300 -0.048 0.000 0.884 300 R HN 0.514 nan 8.270 nan 0.000 0.447 301 E N 1.296 121.126 120.200 -0.618 0.000 2.031 301 E HA -0.231 4.118 4.350 -0.001 0.000 0.193 301 E C 1.895 178.139 176.600 -0.594 0.000 0.994 301 E CA 1.041 56.733 56.400 -1.181 0.000 0.800 301 E CB -0.026 28.600 29.700 -1.791 0.000 0.752 301 E HN 0.128 nan 8.360 nan 0.000 0.447 302 L N 1.497 122.456 121.223 -0.440 0.000 2.021 302 L HA -0.266 4.074 4.340 -0.001 0.000 0.215 302 L C 2.414 179.060 176.870 -0.373 0.000 1.074 302 L CA 2.054 56.654 54.840 -0.401 0.000 0.760 302 L CB -0.712 41.061 42.059 -0.477 0.000 0.889 302 L HN 0.326 nan 8.230 nan 0.000 0.433 303 H N -0.888 118.000 119.070 -0.303 0.000 2.290 303 H HA -0.085 4.471 4.556 -0.001 0.000 0.298 303 H C 2.054 177.293 175.328 -0.148 0.000 1.087 303 H CA 1.723 57.630 56.048 -0.234 0.000 1.291 303 H CB -0.219 29.392 29.762 -0.251 0.000 1.369 303 H HN 0.522 nan 8.280 nan 0.000 0.492 304 A N 0.098 122.913 122.820 -0.009 0.000 1.968 304 A HA -0.099 4.220 4.320 -0.001 0.000 0.217 304 A C 2.457 180.045 177.584 0.006 0.000 1.169 304 A CA 2.029 54.091 52.037 0.042 0.000 0.638 304 A CB -0.324 18.780 19.000 0.174 0.000 0.812 304 A HN 0.588 nan 8.150 nan 0.000 0.446 305 T N -6.556 107.952 114.554 -0.077 0.000 2.955 305 T HA 0.423 4.773 4.350 -0.001 0.000 0.251 305 T C 1.470 176.128 174.700 -0.071 0.000 1.002 305 T CA 1.125 63.198 62.100 -0.044 0.000 0.970 305 T CB 0.292 69.159 68.868 -0.002 0.000 1.091 305 T HN 1.665 nan 8.240 nan 0.000 0.495 306 G N 1.171 109.895 108.800 -0.127 0.000 2.179 306 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.260 306 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.260 306 G C -0.151 174.707 174.900 -0.070 0.000 0.977 306 G CA 0.344 45.364 45.100 -0.134 0.000 0.641 306 G HN 0.784 nan 8.290 nan 0.000 0.533 307 F N -0.621 119.195 119.950 -0.223 0.000 2.599 307 F HA 0.837 5.363 4.527 -0.001 0.000 0.311 307 F C -1.202 174.492 175.800 -0.176 0.000 1.076 307 F CA -1.521 56.371 58.000 -0.179 0.000 0.937 307 F CB 1.834 40.756 39.000 -0.131 0.000 1.282 307 F HN 0.153 nan 8.300 nan 0.000 0.460 308 L N 3.099 123.591 121.223 -1.219 0.000 2.545 308 L HA 0.454 4.794 4.340 -0.001 0.000 0.258 308 L C -0.801 175.416 176.870 -1.087 0.000 0.942 308 L CA -0.455 53.900 54.840 -0.808 0.000 0.855 308 L CB 2.273 44.071 42.059 -0.435 0.000 1.374 308 L HN 0.728 nan 8.230 nan 0.000 0.411 309 S N 1.649 117.022 115.700 -0.545 0.000 2.593 309 S HA 0.166 4.635 4.470 -0.001 0.000 0.269 309 S C 0.957 175.377 174.600 -0.300 0.000 1.334 309 S CA 0.171 58.166 58.200 -0.341 0.000 1.015 309 S CB 0.637 63.699 63.200 -0.230 0.000 0.912 309 S HN 0.700 nan 8.310 nan 0.000 0.541 310 N N 1.391 119.958 118.700 -0.221 0.000 2.060 310 N HA -0.216 4.524 4.740 -0.001 0.000 0.195 310 N C 1.786 177.139 175.510 -0.262 0.000 1.028 310 N CA 1.821 54.733 53.050 -0.230 0.000 0.861 310 N CB -0.442 37.901 38.487 -0.240 0.000 1.029 310 N HN 0.727 nan 8.380 nan 0.000 0.428 311 R N 0.135 120.446 120.500 -0.315 0.000 2.148 311 R HA 0.176 4.515 4.340 -0.001 0.000 0.227 311 R C 1.764 177.837 176.300 -0.378 0.000 1.103 311 R CA 1.406 57.272 56.100 -0.390 0.000 0.983 311 R CB -0.696 29.302 30.300 -0.504 0.000 0.874 311 R HN 0.280 nan 8.270 nan 0.000 0.451 312 A N 0.337 122.959 122.820 -0.332 0.000 1.898 312 A HA -0.008 4.312 4.320 -0.001 0.000 0.214 312 A C 2.074 179.594 177.584 -0.108 0.000 1.183 312 A CA 0.955 52.853 52.037 -0.230 0.000 0.622 312 A CB -0.308 18.589 19.000 -0.173 0.000 0.824 312 A HN 0.314 nan 8.150 nan 0.000 0.444 313 R N -0.284 120.160 120.500 -0.094 0.000 2.083 313 R HA -0.187 4.152 4.340 -0.001 0.000 0.237 313 R C 2.451 178.677 176.300 -0.124 0.000 1.137 313 R CA 1.954 58.065 56.100 0.018 0.000 0.951 313 R CB -0.634 29.683 30.300 0.028 0.000 0.851 313 R HN 0.831 nan 8.270 nan 0.000 0.434 314 M N 0.140 119.655 119.600 -0.141 0.000 2.132 314 M HA -0.099 4.380 4.480 -0.001 0.000 0.263 314 M C 1.574 177.849 176.300 -0.042 0.000 1.065 314 M CA 1.709 56.980 55.300 -0.048 0.000 1.122 314 M CB -0.410 32.276 32.600 0.143 0.000 1.365 314 M HN -0.010 nan 8.290 nan 0.000 0.411 315 N N 1.420 119.950 118.700 -0.283 0.000 2.025 315 N HA -0.139 4.600 4.740 -0.001 0.000 0.194 315 N C 2.023 177.579 175.510 0.075 0.000 1.044 315 N CA 2.161 55.106 53.050 -0.175 0.000 0.851 315 N CB -0.364 37.942 38.487 -0.301 0.000 1.036 315 N HN 0.555 nan 8.380 nan 0.000 0.422 316 A N 1.114 123.974 122.820 0.067 0.000 1.908 316 A HA -0.054 4.265 4.320 -0.001 0.000 0.218 316 A C 2.373 180.134 177.584 0.296 0.000 1.181 316 A CA 2.104 54.285 52.037 0.239 0.000 0.627 316 A CB -0.741 18.422 19.000 0.273 0.000 0.818 316 A HN 0.401 nan 8.150 nan 0.000 0.445 317 A N -1.083 121.644 122.820 -0.156 0.000 1.897 317 A HA -0.163 4.156 4.320 -0.001 0.000 0.215 317 A C 2.193 179.511 177.584 -0.444 0.000 1.181 317 A CA 1.663 53.263 52.037 -0.729 0.000 0.620 317 A CB -0.554 17.416 19.000 -1.718 0.000 0.821 317 A HN 0.644 nan 8.150 nan 0.000 0.443 318 Q N -1.730 117.957 119.800 -0.188 0.000 2.170 318 Q HA -0.176 4.163 4.340 -0.001 0.000 0.203 318 Q C 1.782 177.794 176.000 0.019 0.000 0.976 318 Q CA 1.564 57.308 55.803 -0.099 0.000 0.858 318 Q CB -0.242 28.511 28.738 0.025 0.000 0.907 318 Q HN 0.655 nan 8.270 nan 0.000 0.433 319 F N 0.625 120.616 119.950 0.068 0.000 2.102 319 F HA -0.200 4.327 4.527 -0.001 0.000 0.298 319 F C 2.123 177.956 175.800 0.054 0.000 1.105 319 F CA 1.567 59.661 58.000 0.157 0.000 1.239 319 F CB -0.500 38.617 39.000 0.195 0.000 0.991 319 F HN 0.167 nan 8.300 nan 0.000 0.474 320 A N -0.146 122.734 122.820 0.100 0.000 1.873 320 A HA -0.216 4.104 4.320 -0.001 0.000 0.218 320 A C 2.270 179.763 177.584 -0.152 0.000 1.193 320 A CA 2.517 54.404 52.037 -0.249 0.000 0.629 320 A CB -1.445 17.058 19.000 -0.828 0.000 0.826 320 A HN 0.289 nan 8.150 nan 0.000 0.447 321 V N -0.480 119.364 119.914 -0.116 0.000 2.270 321 V HA -0.213 3.906 4.120 -0.001 0.000 0.245 321 V C 2.408 178.434 176.094 -0.114 0.000 1.043 321 V CA 2.418 64.642 62.300 -0.127 0.000 1.014 321 V CB -0.617 31.111 31.823 -0.157 0.000 0.645 321 V HN 0.546 nan 8.190 nan 0.000 0.447 322 K N -1.449 118.784 120.400 -0.279 0.000 2.242 322 K HA 0.066 4.386 4.320 -0.001 0.000 0.200 322 K C 2.015 178.376 176.600 -0.398 0.000 1.050 322 K CA 0.769 56.734 56.287 -0.536 0.000 0.981 322 K CB 0.016 31.921 32.500 -0.993 0.000 0.795 322 K HN 0.552 nan 8.250 nan 0.000 0.477 323 H N -0.568 118.245 119.070 -0.428 0.000 2.557 323 H HA 0.210 4.765 4.556 -0.001 0.000 0.281 323 H C 1.408 176.564 175.328 -0.286 0.000 0.990 323 H CA 0.528 56.281 56.048 -0.492 0.000 1.278 323 H CB 0.614 29.678 29.762 -1.163 0.000 1.451 323 H HN -0.073 nan 8.280 nan 0.000 0.516 324 L N 0.229 121.388 121.223 -0.106 0.000 2.554 324 L HA 0.146 4.485 4.340 -0.001 0.000 0.225 324 L C 0.226 177.173 176.870 0.127 0.000 1.104 324 L CA 0.110 54.982 54.840 0.053 0.000 0.866 324 L CB 0.411 42.533 42.059 0.105 0.000 1.047 324 L HN 0.258 nan 8.230 nan 0.000 0.468 325 L N 0.524 121.839 121.223 0.153 0.000 3.839 325 L HA -0.250 4.089 4.340 -0.001 0.000 0.416 325 L C 0.133 177.205 176.870 0.336 0.000 1.195 325 L CA 0.208 55.258 54.840 0.349 0.000 0.946 325 L CB -1.843 40.475 42.059 0.432 0.000 1.891 325 L HN 0.250 nan 8.230 nan 0.000 0.963 326 L N 0.479 121.769 121.223 0.112 0.000 2.452 326 L HA 0.299 4.639 4.340 -0.001 0.000 0.267 326 L C -1.601 175.183 176.870 -0.142 0.000 1.188 326 L CA -1.608 53.256 54.840 0.040 0.000 0.821 326 L CB 0.412 42.458 42.059 -0.021 0.000 1.102 326 L HN -0.170 nan 8.230 nan 0.000 0.470 327 P HA -0.050 nan 4.420 nan 0.000 0.276 327 P C 0.394 177.339 177.300 -0.591 0.000 1.243 327 P CA -0.410 62.381 63.100 -0.515 0.000 0.768 327 P CB 0.357 31.874 31.700 -0.306 0.000 0.856 328 W N 5.351 126.151 121.300 -0.834 0.000 2.290 328 W HA -0.275 4.384 4.660 -0.001 0.000 0.323 328 W C 0.716 176.903 176.519 -0.553 0.000 1.260 328 W CA 1.348 58.318 57.345 -0.625 0.000 1.266 328 W CB -1.529 27.643 29.460 -0.481 0.000 1.149 328 W HN 0.246 nan 8.180 nan 0.000 0.482 329 K N 0.442 120.142 120.400 -1.166 0.000 2.009 329 K HA -0.202 4.117 4.320 -0.001 0.000 0.210 329 K C 2.466 178.719 176.600 -0.579 0.000 1.049 329 K CA 2.304 58.032 56.287 -0.931 0.000 0.929 329 K CB -0.625 31.295 32.500 -0.967 0.000 0.714 329 K HN 0.030 nan 8.250 nan 0.000 0.440 330 R N 0.635 120.823 120.500 -0.518 0.000 2.094 330 R HA -0.216 4.123 4.340 -0.001 0.000 0.239 330 R C 2.209 178.324 176.300 -0.308 0.000 1.137 330 R CA 2.172 58.016 56.100 -0.427 0.000 0.943 330 R CB -0.578 29.412 30.300 -0.515 0.000 0.850 330 R HN 0.315 nan 8.270 nan 0.000 0.433 331 C N 0.717 119.812 119.300 -0.342 0.000 2.429 331 C HA -0.063 4.396 4.460 -0.001 0.000 0.277 331 C C 2.662 177.372 174.990 -0.467 0.000 1.262 331 C CA 0.960 59.815 59.018 -0.271 0.000 1.733 331 C CB -0.729 26.543 27.740 -0.781 0.000 2.010 331 C HN 0.642 nan 8.230 nan 0.000 0.483 332 E N 1.384 121.013 120.200 -0.952 0.000 2.170 332 E HA -0.124 4.225 4.350 -0.001 0.000 0.191 332 E C 1.851 178.238 176.600 -0.356 0.000 0.981 332 E CA 0.973 56.611 56.400 -1.270 0.000 0.830 332 E CB -0.552 28.134 29.700 -1.688 0.000 0.775 332 E HN 0.641 nan 8.360 nan 0.000 0.470 333 E N 0.483 120.500 120.200 -0.306 0.000 2.048 333 E HA -0.229 4.120 4.350 -0.001 0.000 0.202 333 E C 1.940 178.430 176.600 -0.185 0.000 1.021 333 E CA 1.720 57.963 56.400 -0.262 0.000 0.825 333 E CB -0.131 29.411 29.700 -0.264 0.000 0.756 333 E HN 0.366 nan 8.360 nan 0.000 0.454 334 A N 0.249 123.093 122.820 0.040 0.000 1.930 334 A HA -0.165 4.154 4.320 -0.001 0.000 0.217 334 A C 1.933 179.752 177.584 0.391 0.000 1.175 334 A CA 0.952 53.143 52.037 0.256 0.000 0.627 334 A CB -0.715 18.532 19.000 0.411 0.000 0.815 334 A HN 0.359 nan 8.150 nan 0.000 0.443 335 F N 0.632 120.748 119.950 0.277 0.000 2.095 335 F HA -0.186 4.340 4.527 -0.001 0.000 0.298 335 F C 2.445 178.358 175.800 0.189 0.000 1.104 335 F CA 2.065 60.257 58.000 0.319 0.000 1.232 335 F CB -0.210 39.135 39.000 0.576 0.000 0.987 335 F HN 0.275 nan 8.300 nan 0.000 0.475 336 R N -0.837 119.811 120.500 0.246 0.000 2.090 336 R HA -0.138 4.201 4.340 -0.001 0.000 0.228 336 R C 2.107 178.484 176.300 0.130 0.000 1.110 336 R CA 1.719 57.911 56.100 0.152 0.000 0.973 336 R CB -0.749 29.612 30.300 0.103 0.000 0.869 336 R HN 0.432 nan 8.270 nan 0.000 0.440 337 H N -0.013 119.114 119.070 0.095 0.000 2.489 337 H HA -0.088 4.467 4.556 -0.001 0.000 0.295 337 H C 1.794 177.125 175.328 0.005 0.000 1.082 337 H CA 1.121 57.206 56.048 0.062 0.000 1.295 337 H CB 0.133 29.945 29.762 0.083 0.000 1.380 337 H HN 0.214 nan 8.280 nan 0.000 0.548 338 L N 0.591 121.840 121.223 0.042 0.000 2.509 338 L HA 0.072 4.411 4.340 -0.001 0.000 0.222 338 L C 0.139 176.908 176.870 -0.168 0.000 1.123 338 L CA 0.060 54.816 54.840 -0.139 0.000 0.856 338 L CB 0.322 42.165 42.059 -0.360 0.000 0.985 338 L HN 0.152 nan 8.230 nan 0.000 0.456 339 L N 0.063 121.217 121.223 -0.115 0.000 2.289 339 L HA 0.177 4.516 4.340 -0.001 0.000 0.285 339 L C 1.075 177.925 176.870 -0.033 0.000 1.049 339 L CA -0.453 54.318 54.840 -0.115 0.000 0.804 339 L CB 1.880 43.886 42.059 -0.088 0.000 1.195 339 L HN 0.071 nan 8.230 nan 0.000 0.428 340 L N 1.626 122.795 121.223 -0.090 0.000 2.127 340 L HA -0.196 4.143 4.340 -0.001 0.000 0.211 340 L C 1.371 178.255 176.870 0.024 0.000 1.089 340 L CA 1.196 55.953 54.840 -0.139 0.000 0.757 340 L CB -0.405 41.329 42.059 -0.541 0.000 0.899 340 L HN 0.787 nan 8.230 nan 0.000 0.434 341 D N -0.763 119.675 120.400 0.063 0.000 2.340 341 D HA 0.058 4.697 4.640 -0.001 0.000 0.217 341 D C 1.045 177.460 176.300 0.191 0.000 1.081 341 D CA -0.151 53.954 54.000 0.175 0.000 0.842 341 D CB -0.246 40.671 40.800 0.195 0.000 0.934 341 D HN 0.053 nan 8.370 nan 0.000 0.511 342 G N 0.538 109.433 108.800 0.157 0.000 2.272 342 G HA2 0.252 4.212 3.960 -0.001 0.000 0.247 342 G HA3 0.252 4.212 3.960 -0.001 0.000 0.247 342 G C -0.547 174.476 174.900 0.205 0.000 1.272 342 G CA -0.100 45.102 45.100 0.171 0.000 0.921 342 G HN 0.241 nan 8.290 nan 0.000 0.495 343 D N 2.038 122.566 120.400 0.213 0.000 2.616 343 D HA 0.142 4.782 4.640 -0.001 0.000 0.238 343 D C 1.192 177.626 176.300 0.222 0.000 1.354 343 D CA -0.717 53.424 54.000 0.235 0.000 0.970 343 D CB 1.197 42.158 40.800 0.268 0.000 1.369 343 D HN 0.363 nan 8.370 nan 0.000 0.585 344 R N 2.385 123.009 120.500 0.207 0.000 2.143 344 R HA -0.262 4.077 4.340 -0.001 0.000 0.239 344 R C 1.937 178.347 176.300 0.184 0.000 1.126 344 R CA 2.546 58.754 56.100 0.179 0.000 0.927 344 R CB -0.184 30.211 30.300 0.158 0.000 0.860 344 R HN 0.516 nan 8.270 nan 0.000 0.433 345 A N -0.313 122.632 122.820 0.208 0.000 1.940 345 A HA -0.133 4.186 4.320 -0.001 0.000 0.219 345 A C 2.266 179.886 177.584 0.061 0.000 1.176 345 A CA 1.840 53.968 52.037 0.150 0.000 0.631 345 A CB -0.372 18.782 19.000 0.257 0.000 0.814 345 A HN 0.269 nan 8.150 nan 0.000 0.446 346 V N 0.242 120.195 119.914 0.065 0.000 2.446 346 V HA -0.164 3.955 4.120 -0.001 0.000 0.244 346 V C 2.325 178.486 176.094 0.112 0.000 1.039 346 V CA 1.998 64.308 62.300 0.017 0.000 1.045 346 V CB -1.007 30.829 31.823 0.022 0.000 0.681 346 V HN 0.746 nan 8.190 nan 0.000 0.459 347 N N 0.189 119.006 118.700 0.196 0.000 2.223 347 N HA -0.157 4.582 4.740 -0.001 0.000 0.185 347 N C 1.617 177.359 175.510 0.386 0.000 1.016 347 N CA 1.049 54.294 53.050 0.325 0.000 0.863 347 N CB -0.160 38.550 38.487 0.371 0.000 0.983 347 N HN 0.258 nan 8.380 nan 0.000 0.429 348 L N 1.041 122.422 121.223 0.263 0.000 2.072 348 L HA -0.046 4.294 4.340 -0.001 0.000 0.205 348 L C 2.372 179.345 176.870 0.173 0.000 1.079 348 L CA 1.561 56.551 54.840 0.249 0.000 0.752 348 L CB -1.442 40.719 42.059 0.170 0.000 0.906 348 L HN 0.373 nan 8.230 nan 0.000 0.436 349 Q N -0.184 119.679 119.800 0.104 0.000 2.061 349 Q HA -0.167 4.172 4.340 -0.001 0.000 0.204 349 Q C 2.007 178.079 176.000 0.121 0.000 0.984 349 Q CA 2.101 57.949 55.803 0.075 0.000 0.846 349 Q CB -0.669 28.083 28.738 0.023 0.000 0.902 349 Q HN 0.503 nan 8.270 nan 0.000 0.421 350 G N -0.193 108.662 108.800 0.091 0.000 2.476 350 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.218 350 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.218 350 G C 1.104 175.974 174.900 -0.050 0.000 1.164 350 G CA 0.889 46.000 45.100 0.018 0.000 0.768 350 G HN 0.471 nan 8.290 nan 0.000 0.560 351 W N 1.039 122.348 121.300 0.016 0.000 2.358 351 W HA 0.010 4.669 4.660 -0.001 0.000 0.303 351 W C 3.129 179.570 176.519 -0.130 0.000 1.208 351 W CA 1.331 58.641 57.345 -0.057 0.000 1.274 351 W CB -0.160 29.290 29.460 -0.015 0.000 1.138 351 W HN 0.253 nan 8.180 nan 0.000 0.515 352 Q N -1.812 118.011 119.800 0.038 0.000 2.291 352 Q HA -0.205 4.135 4.340 -0.001 0.000 0.205 352 Q C 1.866 177.823 176.000 -0.071 0.000 0.970 352 Q CA 1.421 57.151 55.803 -0.122 0.000 0.876 352 Q CB -0.681 27.951 28.738 -0.176 0.000 0.935 352 Q HN 0.464 nan 8.270 nan 0.000 0.455 353 W N 1.304 122.511 121.300 -0.154 0.000 2.463 353 W HA -0.018 4.642 4.660 -0.001 0.000 0.316 353 W C 2.428 178.818 176.519 -0.215 0.000 1.170 353 W CA 1.648 58.905 57.345 -0.147 0.000 1.355 353 W CB -0.533 28.864 29.460 -0.104 0.000 1.159 353 W HN 0.043 nan 8.180 nan 0.000 0.487 354 A N 0.690 123.450 122.820 -0.100 0.000 1.917 354 A HA -0.142 4.177 4.320 -0.001 0.000 0.219 354 A C 2.133 179.437 177.584 -0.466 0.000 1.182 354 A CA 2.190 54.023 52.037 -0.341 0.000 0.633 354 A CB -1.734 17.151 19.000 -0.192 0.000 0.819 354 A HN 0.499 nan 8.150 nan 0.000 0.448 355 G N -2.073 106.510 108.800 -0.361 0.000 2.813 355 G HA2 0.365 4.324 3.960 -0.001 0.000 0.209 355 G HA3 0.365 4.324 3.960 -0.001 0.000 0.209 355 G C 1.103 175.781 174.900 -0.371 0.000 1.150 355 G CA 0.557 45.460 45.100 -0.329 0.000 0.785 355 G HN 1.735 nan 8.290 nan 0.000 0.535 356 G N -0.152 108.374 108.800 -0.457 0.000 2.248 356 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.263 356 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.263 356 G C 0.525 175.038 174.900 -0.644 0.000 1.082 356 G CA 0.367 45.168 45.100 -0.499 0.000 0.863 356 G HN 0.615 nan 8.290 nan 0.000 0.495 357 L N -1.172 119.737 121.223 -0.524 0.000 3.184 357 L HA 0.567 4.906 4.340 -0.001 0.000 0.283 357 L C 1.671 178.341 176.870 -0.333 0.000 1.218 357 L CA 0.433 54.953 54.840 -0.533 0.000 1.028 357 L CB 0.675 42.455 42.059 -0.465 0.000 1.400 357 L HN 0.967 nan 8.230 nan 0.000 0.591 358 G N -0.221 108.420 108.800 -0.266 0.000 2.234 358 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.153 358 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.153 358 G C 0.021 174.885 174.900 -0.059 0.000 1.013 358 G CA -0.500 44.505 45.100 -0.157 0.000 0.712 358 G HN -0.040 nan 8.290 nan 0.000 0.491 359 V N 1.507 121.418 119.914 -0.005 0.000 2.540 359 V HA 0.311 4.430 4.120 -0.001 0.000 0.297 359 V C 1.387 177.655 176.094 0.291 0.000 1.024 359 V CA 1.574 63.974 62.300 0.166 0.000 1.105 359 V CB 1.011 33.004 31.823 0.283 0.000 0.938 359 V HN 0.671 nan 8.190 nan 0.000 0.482 360 D N 4.470 125.059 120.400 0.316 0.000 2.882 360 D HA -0.289 4.350 4.640 -0.001 0.000 0.229 360 D C 0.857 177.290 176.300 0.223 0.000 1.167 360 D CA 1.640 55.845 54.000 0.342 0.000 0.759 360 D CB -0.980 40.142 40.800 0.537 0.000 1.088 360 D HN 1.676 nan 8.370 nan 0.000 0.425 361 A N -2.648 120.241 122.820 0.115 0.000 2.847 361 A HA -0.053 4.266 4.320 -0.001 0.000 0.263 361 A C 1.057 178.624 177.584 -0.029 0.000 1.391 361 A CA 1.711 53.773 52.037 0.042 0.000 0.866 361 A CB -2.177 16.867 19.000 0.074 0.000 1.057 361 A HN 1.754 nan 8.150 nan 0.000 0.673 362 A N 0.127 122.913 122.820 -0.057 0.000 2.524 362 A HA 0.514 4.834 4.320 -0.001 0.000 0.250 362 A C -1.388 175.937 177.584 -0.431 0.000 1.078 362 A CA -0.046 51.828 52.037 -0.272 0.000 0.761 362 A CB -0.236 18.416 19.000 -0.579 0.000 1.012 362 A HN 0.491 nan 8.150 nan 0.000 0.500 363 P HA 0.210 nan 4.420 nan 0.000 0.279 363 P C 0.416 177.182 177.300 -0.890 0.000 1.239 363 P CA -0.362 62.212 63.100 -0.877 0.000 0.789 363 P CB 0.318 30.935 31.700 -1.806 0.000 0.933 364 Y N 1.895 121.898 120.300 -0.495 0.000 2.193 364 Y HA -0.287 4.262 4.550 -0.001 0.000 0.285 364 Y C 1.721 177.536 175.900 -0.142 0.000 1.166 364 Y CA 1.219 59.203 58.100 -0.194 0.000 1.181 364 Y CB -1.968 36.577 38.460 0.142 0.000 0.976 364 Y HN 0.237 nan 8.280 nan 0.000 0.520 365 F N 0.780 120.221 119.950 -0.848 0.000 2.451 365 F HA 0.107 4.634 4.527 -0.001 0.000 0.299 365 F C 1.330 176.949 175.800 -0.301 0.000 1.101 365 F CA -0.038 57.638 58.000 -0.539 0.000 1.436 365 F CB -0.876 37.753 39.000 -0.619 0.000 1.074 365 F HN -0.106 nan 8.300 nan 0.000 0.553 366 R N 2.345 122.622 120.500 -0.372 0.000 2.435 366 R HA 0.263 4.602 4.340 -0.001 0.000 0.325 366 R C -1.548 174.469 176.300 -0.471 0.000 1.149 366 R CA -0.228 55.679 56.100 -0.322 0.000 0.995 366 R CB -0.627 29.378 30.300 -0.492 0.000 1.008 366 R HN 0.151 nan 8.270 nan 0.000 0.470 367 V N 6.954 126.688 119.914 -0.300 0.000 2.328 367 V HA 0.298 4.417 4.120 -0.001 0.000 0.278 367 V C -0.227 175.764 176.094 -0.172 0.000 1.021 367 V CA -0.912 61.187 62.300 -0.336 0.000 0.838 367 V CB 0.525 32.216 31.823 -0.220 0.000 0.999 367 V HN 0.475 nan 8.190 nan 0.000 0.447 368 F N 3.775 123.709 119.950 -0.026 0.000 2.539 368 F HA 0.030 4.556 4.527 -0.001 0.000 0.393 368 F C 1.115 176.996 175.800 0.135 0.000 1.032 368 F CA 0.017 58.044 58.000 0.046 0.000 1.120 368 F CB -0.393 38.638 39.000 0.051 0.000 1.014 368 F HN 0.553 nan 8.300 nan 0.000 0.546 369 N N 6.349 125.215 118.700 0.276 0.000 2.431 369 N HA 0.102 4.841 4.740 -0.001 0.000 0.265 369 N C -1.966 173.648 175.510 0.174 0.000 1.184 369 N CA -1.916 51.260 53.050 0.210 0.000 0.943 369 N CB 1.182 39.748 38.487 0.133 0.000 1.080 369 N HN 0.126 nan 8.380 nan 0.000 0.477 370 P HA -0.086 nan 4.420 nan 0.000 0.220 370 P C 1.413 178.740 177.300 0.045 0.000 1.152 370 P CA 0.391 63.556 63.100 0.109 0.000 0.812 370 P CB 0.289 32.053 31.700 0.108 0.000 0.792 371 V N -0.758 119.190 119.914 0.057 0.000 2.302 371 V HA -0.144 3.975 4.120 -0.001 0.000 0.243 371 V C 2.068 178.125 176.094 -0.061 0.000 1.036 371 V CA 1.243 63.570 62.300 0.045 0.000 1.020 371 V CB -1.432 30.447 31.823 0.093 0.000 0.657 371 V HN -0.062 nan 8.190 nan 0.000 0.453 372 L N 0.201 121.411 121.223 -0.020 0.000 2.040 372 L HA -0.318 4.021 4.340 -0.001 0.000 0.228 372 L C 2.945 179.741 176.870 -0.123 0.000 1.092 372 L CA 2.929 57.740 54.840 -0.048 0.000 0.805 372 L CB -1.143 40.922 42.059 0.010 0.000 0.905 372 L HN 0.503 nan 8.230 nan 0.000 0.443 373 Q N -0.932 118.811 119.800 -0.096 0.000 2.135 373 Q HA -0.158 4.182 4.340 -0.001 0.000 0.204 373 Q C 2.049 177.875 176.000 -0.290 0.000 0.981 373 Q CA 1.705 57.434 55.803 -0.124 0.000 0.856 373 Q CB -0.558 28.104 28.738 -0.127 0.000 0.902 373 Q HN 0.675 nan 8.270 nan 0.000 0.425 374 G N 0.318 108.789 108.800 -0.547 0.000 2.403 374 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.216 374 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.216 374 G C 1.280 175.654 174.900 -0.877 0.000 1.154 374 G CA 0.462 44.765 45.100 -1.328 0.000 0.784 374 G HN 0.368 nan 8.290 nan 0.000 0.538 375 E N -0.299 119.629 120.200 -0.453 0.000 2.112 375 E HA 0.044 4.394 4.350 -0.001 0.000 0.190 375 E C 2.511 178.978 176.600 -0.221 0.000 0.979 375 E CA 0.135 56.408 56.400 -0.212 0.000 0.814 375 E CB -0.031 29.608 29.700 -0.102 0.000 0.762 375 E HN 0.232 nan 8.360 nan 0.000 0.460 376 R N -0.033 120.271 120.500 -0.327 0.000 2.189 376 R HA -0.056 4.283 4.340 -0.001 0.000 0.218 376 R C 0.763 176.659 176.300 -0.673 0.000 1.074 376 R CA 0.882 56.676 56.100 -0.510 0.000 0.991 376 R CB 0.232 30.162 30.300 -0.617 0.000 0.883 376 R HN 0.272 nan 8.270 nan 0.000 0.457 377 H N -2.142 116.816 119.070 -0.186 0.000 2.767 377 H HA 0.166 4.721 4.556 -0.001 0.000 0.260 377 H C -0.750 174.482 175.328 -0.160 0.000 1.172 377 H CA -0.066 55.869 56.048 -0.189 0.000 1.048 377 H CB 0.887 30.501 29.762 -0.246 0.000 1.697 377 H HN 0.072 nan 8.280 nan 0.000 0.606 378 D N 0.298 120.693 120.400 -0.008 0.000 3.285 378 D HA 0.156 4.795 4.640 -0.001 0.000 0.273 378 D C -2.023 174.354 176.300 0.128 0.000 1.295 378 D CA -1.273 52.789 54.000 0.103 0.000 0.762 378 D CB 0.787 41.752 40.800 0.275 0.000 1.379 378 D HN -0.052 nan 8.370 nan 0.000 0.612 379 P HA -0.093 nan 4.420 nan 0.000 0.215 379 P C 0.014 177.359 177.300 0.074 0.000 1.153 379 P CA 1.205 64.330 63.100 0.043 0.000 0.853 379 P CB 0.201 31.914 31.700 0.021 0.000 0.788 380 E N -1.707 118.547 120.200 0.091 0.000 2.939 380 E HA 0.492 4.841 4.350 -0.001 0.000 0.215 380 E C 0.988 177.659 176.600 0.118 0.000 1.025 380 E CA 0.011 56.467 56.400 0.093 0.000 1.259 380 E CB -0.525 29.212 29.700 0.062 0.000 1.228 380 E HN 0.127 nan 8.360 nan 0.000 0.443 381 G N 1.312 110.220 108.800 0.180 0.000 2.234 381 G HA2 -0.423 3.537 3.960 -0.001 0.000 0.260 381 G HA3 -0.423 3.537 3.960 -0.001 0.000 0.260 381 G C 1.316 176.321 174.900 0.175 0.000 0.987 381 G CA 0.391 45.600 45.100 0.180 0.000 0.625 381 G HN 0.341 nan 8.290 nan 0.000 0.532 382 R N -1.194 119.412 120.500 0.178 0.000 2.127 382 R HA -0.106 4.233 4.340 -0.001 0.000 0.238 382 R C 2.215 178.633 176.300 0.197 0.000 1.134 382 R CA 1.958 58.144 56.100 0.143 0.000 0.975 382 R CB -0.280 30.097 30.300 0.127 0.000 0.865 382 R HN 0.624 nan 8.270 nan 0.000 0.447 383 W N 1.086 122.459 121.300 0.121 0.000 2.444 383 W HA -0.120 4.540 4.660 -0.001 0.000 0.308 383 W C 1.875 178.510 176.519 0.194 0.000 1.183 383 W CA 0.613 58.077 57.345 0.198 0.000 1.340 383 W CB -0.555 29.058 29.460 0.256 0.000 1.138 383 W HN -0.039 nan 8.180 nan 0.000 0.510 384 L N 2.077 123.470 121.223 0.285 0.000 2.127 384 L HA -0.185 4.154 4.340 -0.001 0.000 0.211 384 L C 2.420 179.214 176.870 -0.126 0.000 1.089 384 L CA 2.544 57.361 54.840 -0.039 0.000 0.757 384 L CB -0.973 40.953 42.059 -0.221 0.000 0.899 384 L HN 0.147 nan 8.230 nan 0.000 0.434 385 K N -1.345 119.003 120.400 -0.087 0.000 2.243 385 K HA -0.092 4.227 4.320 -0.001 0.000 0.201 385 K C 2.217 178.681 176.600 -0.228 0.000 1.051 385 K CA 0.367 56.578 56.287 -0.126 0.000 0.970 385 K CB -0.087 32.367 32.500 -0.076 0.000 0.755 385 K HN 0.211 nan 8.250 nan 0.000 0.465 386 R N -0.565 119.739 120.500 -0.326 0.000 2.148 386 R HA -0.076 4.264 4.340 -0.001 0.000 0.223 386 R C 0.711 176.442 176.300 -0.948 0.000 1.088 386 R CA 1.273 56.984 56.100 -0.649 0.000 0.985 386 R CB 0.046 29.888 30.300 -0.763 0.000 0.880 386 R HN 0.362 nan 8.270 nan 0.000 0.451 387 W N -1.763 119.323 121.300 -0.357 0.000 2.865 387 W HA 0.360 5.019 4.660 -0.002 0.000 0.300 387 W C 0.250 176.592 176.519 -0.295 0.000 1.096 387 W CA 0.013 57.127 57.345 -0.384 0.000 1.524 387 W CB 0.821 29.910 29.460 -0.619 0.000 0.991 387 W HN -0.098 nan 8.180 nan 0.000 0.571 388 A N 0.998 123.764 122.820 -0.089 0.000 3.399 388 A HA 0.297 4.616 4.320 -0.001 0.000 0.262 388 A C -2.075 175.442 177.584 -0.112 0.000 1.145 388 A CA -0.562 51.432 52.037 -0.071 0.000 0.916 388 A CB -0.107 18.934 19.000 0.067 0.000 1.360 388 A HN -0.103 nan 8.150 nan 0.000 0.628 389 P HA -0.089 nan 4.420 nan 0.000 0.239 389 P C 0.927 178.121 177.300 -0.177 0.000 1.184 389 P CA 0.669 63.684 63.100 -0.142 0.000 0.760 389 P CB 0.292 31.908 31.700 -0.140 0.000 0.884 390 E N -0.520 119.506 120.200 -0.291 0.000 2.147 390 E HA -0.171 4.178 4.350 -0.001 0.000 0.199 390 E C -0.030 176.331 176.600 -0.398 0.000 1.005 390 E CA 1.004 57.141 56.400 -0.439 0.000 0.810 390 E CB -0.292 28.916 29.700 -0.820 0.000 0.736 390 E HN 0.413 nan 8.360 nan 0.000 0.460 391 Y N -0.619 119.622 120.300 -0.099 0.000 2.328 391 Y HA 0.169 4.719 4.550 -0.001 0.000 0.337 391 Y C -1.587 174.248 175.900 -0.109 0.000 1.008 391 Y CA -2.331 55.708 58.100 -0.102 0.000 1.129 391 Y CB 1.179 39.560 38.460 -0.131 0.000 1.185 391 Y HN 0.031 nan 8.280 nan 0.000 0.476 392 P HA 0.024 nan 4.420 nan 0.000 0.235 392 P C -0.400 176.905 177.300 0.008 0.000 1.177 392 P CA 0.642 63.753 63.100 0.018 0.000 0.785 392 P CB 0.612 32.326 31.700 0.023 0.000 0.885 393 S N -2.625 113.077 115.700 0.004 0.000 2.703 393 S HA 0.288 4.757 4.470 -0.001 0.000 0.273 393 S C 0.045 174.582 174.600 -0.105 0.000 1.178 393 S CA -0.663 57.517 58.200 -0.033 0.000 0.838 393 S CB -0.255 62.977 63.200 0.054 0.000 1.178 393 S HN -0.160 nan 8.310 nan 0.000 0.494 394 Y N 1.155 121.471 120.300 0.028 0.000 2.680 394 Y HA 0.331 4.880 4.550 -0.001 0.000 0.303 394 Y C 1.580 177.457 175.900 -0.038 0.000 1.166 394 Y CA 0.591 58.682 58.100 -0.015 0.000 1.344 394 Y CB -0.699 37.770 38.460 0.015 0.000 1.002 394 Y HN 0.799 nan 8.280 nan 0.000 0.537 395 A N 1.802 124.672 122.820 0.083 0.000 2.491 395 A HA 0.219 4.539 4.320 -0.001 0.000 0.261 395 A C -2.205 175.373 177.584 -0.009 0.000 1.101 395 A CA -1.349 50.716 52.037 0.048 0.000 0.772 395 A CB -0.316 18.717 19.000 0.055 0.000 1.043 395 A HN 0.045 nan 8.150 nan 0.000 0.501 396 P HA 0.353 nan 4.420 nan 0.000 0.272 396 P C -0.587 176.723 177.300 0.016 0.000 1.230 396 P CA -0.205 62.864 63.100 -0.052 0.000 0.788 396 P CB 0.480 32.173 31.700 -0.012 0.000 0.949 397 K N 1.353 121.780 120.400 0.044 0.000 2.740 397 K HA 0.114 4.434 4.320 -0.001 0.000 0.246 397 K C -0.996 175.679 176.600 0.124 0.000 1.021 397 K CA -0.356 56.004 56.287 0.121 0.000 1.021 397 K CB 0.102 32.756 32.500 0.258 0.000 1.233 397 K HN 0.452 nan 8.250 nan 0.000 0.497 398 D N 3.201 123.655 120.400 0.090 0.000 2.810 398 D HA -0.154 4.485 4.640 -0.001 0.000 0.224 398 D C -2.195 174.160 176.300 0.093 0.000 1.222 398 D CA 0.378 54.429 54.000 0.084 0.000 0.698 398 D CB -0.665 40.182 40.800 0.078 0.000 0.961 398 D HN 0.375 nan 8.370 nan 0.000 0.403 399 P HA -0.050 nan 4.420 nan 0.000 0.265 399 P C 1.598 178.971 177.300 0.122 0.000 1.193 399 P CA -0.288 62.871 63.100 0.099 0.000 0.765 399 P CB 0.808 32.568 31.700 0.101 0.000 0.823 400 V N 2.130 122.132 119.914 0.147 0.000 2.720 400 V HA -0.094 4.025 4.120 -0.001 0.000 0.256 400 V C 0.852 177.039 176.094 0.155 0.000 1.082 400 V CA 1.427 63.818 62.300 0.152 0.000 1.101 400 V CB -1.282 30.646 31.823 0.175 0.000 0.693 400 V HN 0.369 nan 8.190 nan 0.000 0.479 401 V N -2.720 117.298 119.914 0.173 0.000 3.046 401 V HA 0.600 4.720 4.120 -0.001 0.000 0.316 401 V C -0.371 175.804 176.094 0.135 0.000 1.104 401 V CA -0.889 61.500 62.300 0.147 0.000 1.006 401 V CB 1.707 33.619 31.823 0.149 0.000 1.058 401 V HN 0.236 nan 8.190 nan 0.000 0.440 402 D N 0.859 121.329 120.400 0.116 0.000 2.401 402 D HA 0.138 4.777 4.640 -0.001 0.000 0.254 402 D C 0.871 177.252 176.300 0.135 0.000 1.192 402 D CA 0.316 54.383 54.000 0.111 0.000 0.885 402 D CB 1.280 42.135 40.800 0.092 0.000 1.147 402 D HN 0.582 nan 8.370 nan 0.000 0.478 403 L N 3.680 124.986 121.223 0.138 0.000 2.027 403 L HA -0.184 4.155 4.340 -0.001 0.000 0.206 403 L C 2.372 179.370 176.870 0.212 0.000 1.074 403 L CA 1.665 56.613 54.840 0.181 0.000 0.745 403 L CB -0.405 41.732 42.059 0.130 0.000 0.898 403 L HN 0.579 nan 8.230 nan 0.000 0.433 404 E N -0.233 120.055 120.200 0.148 0.000 2.107 404 E HA -0.247 4.102 4.350 -0.001 0.000 0.191 404 E C 1.939 178.603 176.600 0.106 0.000 0.982 404 E CA 1.119 57.593 56.400 0.123 0.000 0.809 404 E CB -0.416 29.340 29.700 0.093 0.000 0.756 404 E HN 0.396 nan 8.360 nan 0.000 0.459 405 E N 0.347 120.607 120.200 0.101 0.000 2.171 405 E HA -0.225 4.125 4.350 -0.001 0.000 0.197 405 E C 1.825 178.481 176.600 0.095 0.000 0.997 405 E CA 1.543 57.995 56.400 0.087 0.000 0.810 405 E CB -0.088 29.662 29.700 0.084 0.000 0.738 405 E HN 0.470 nan 8.360 nan 0.000 0.467 406 A N -0.035 122.857 122.820 0.120 0.000 1.963 406 A HA 0.065 4.385 4.320 -0.001 0.000 0.207 406 A C 1.950 179.569 177.584 0.059 0.000 1.243 406 A CA 0.154 52.261 52.037 0.118 0.000 0.728 406 A CB -0.096 19.001 19.000 0.162 0.000 0.895 406 A HN 0.011 nan 8.150 nan 0.000 0.467 407 R N 0.179 120.702 120.500 0.038 0.000 2.115 407 R HA -0.178 4.161 4.340 -0.001 0.000 0.239 407 R C 2.327 178.668 176.300 0.069 0.000 1.133 407 R CA 2.091 58.171 56.100 -0.034 0.000 0.935 407 R CB -0.340 29.984 30.300 0.040 0.000 0.853 407 R HN 0.475 nan 8.270 nan 0.000 0.433 408 R N -0.232 120.316 120.500 0.080 0.000 2.105 408 R HA -0.171 4.169 4.340 -0.001 0.000 0.239 408 R C 2.488 178.837 176.300 0.082 0.000 1.135 408 R CA 1.785 57.932 56.100 0.078 0.000 0.967 408 R CB -0.309 30.028 30.300 0.061 0.000 0.861 408 R HN 0.269 nan 8.270 nan 0.000 0.442 409 R N -0.087 120.467 120.500 0.090 0.000 2.070 409 R HA -0.233 4.107 4.340 -0.001 0.000 0.232 409 R C 2.167 178.541 176.300 0.123 0.000 1.138 409 R CA 1.951 58.104 56.100 0.088 0.000 0.936 409 R CB -0.674 29.684 30.300 0.097 0.000 0.839 409 R HN 0.253 nan 8.270 nan 0.000 0.429 410 Y N 1.478 121.810 120.300 0.053 0.000 2.049 410 Y HA -0.266 4.283 4.550 -0.001 0.000 0.277 410 Y C 2.057 178.040 175.900 0.139 0.000 1.143 410 Y CA 2.228 60.401 58.100 0.122 0.000 1.115 410 Y CB -0.532 37.962 38.460 0.058 0.000 0.975 410 Y HN 0.098 nan 8.280 nan 0.000 0.487 411 L N 0.105 121.502 121.223 0.290 0.000 2.123 411 L HA -0.373 3.966 4.340 -0.001 0.000 0.217 411 L C 2.728 179.612 176.870 0.024 0.000 1.081 411 L CA 2.083 57.046 54.840 0.204 0.000 0.772 411 L CB -0.683 41.514 42.059 0.229 0.000 0.890 411 L HN 0.304 nan 8.230 nan 0.000 0.437 412 R N 0.241 120.732 120.500 -0.015 0.000 2.052 412 R HA -0.072 4.267 4.340 -0.001 0.000 0.226 412 R C 2.416 178.609 176.300 -0.178 0.000 1.145 412 R CA 0.987 57.044 56.100 -0.071 0.000 0.952 412 R CB -0.191 30.083 30.300 -0.043 0.000 0.847 412 R HN 0.191 nan 8.270 nan 0.000 0.431 413 L N 0.306 121.395 121.223 -0.224 0.000 2.081 413 L HA -0.189 4.150 4.340 -0.001 0.000 0.212 413 L C 2.566 179.146 176.870 -0.482 0.000 1.080 413 L CA 1.596 56.198 54.840 -0.398 0.000 0.754 413 L CB -0.469 41.287 42.059 -0.504 0.000 0.893 413 L HN 0.335 nan 8.230 nan 0.000 0.433 414 A N -0.426 122.140 122.820 -0.424 0.000 1.970 414 A HA -0.080 4.239 4.320 -0.001 0.000 0.216 414 A C 2.390 179.616 177.584 -0.596 0.000 1.170 414 A CA 0.802 52.553 52.037 -0.477 0.000 0.645 414 A CB -0.293 18.331 19.000 -0.626 0.000 0.816 414 A HN 0.299 nan 8.150 nan 0.000 0.447 415 R N -0.095 120.142 120.500 -0.439 0.000 2.148 415 R HA -0.057 4.282 4.340 -0.001 0.000 0.223 415 R C 1.112 177.227 176.300 -0.310 0.000 1.088 415 R CA 1.091 56.960 56.100 -0.386 0.000 0.985 415 R CB -0.274 29.958 30.300 -0.114 0.000 0.880 415 R HN 0.481 nan 8.270 nan 0.000 0.451 416 D N 1.112 121.332 120.400 -0.300 0.000 2.120 416 D HA -0.179 4.460 4.640 -0.001 0.000 0.216 416 D C 1.962 178.071 176.300 -0.318 0.000 0.999 416 D CA 0.989 54.824 54.000 -0.274 0.000 0.903 416 D CB -0.671 39.962 40.800 -0.279 0.000 1.104 416 D HN -0.039 nan 8.370 nan 0.000 0.466 417 L N 0.235 121.211 121.223 -0.411 0.000 2.239 417 L HA -0.400 3.939 4.340 -0.001 0.000 0.242 417 L C 2.365 178.972 176.870 -0.439 0.000 1.130 417 L CA 2.321 56.861 54.840 -0.500 0.000 0.852 417 L CB -1.080 40.518 42.059 -0.768 0.000 0.959 417 L HN 0.143 nan 8.230 nan 0.000 0.447 418 A N -0.552 121.970 122.820 -0.497 0.000 1.854 418 A HA 0.010 4.330 4.320 -0.001 0.000 0.214 418 A C 2.066 179.573 177.584 -0.128 0.000 1.192 418 A CA 2.035 53.876 52.037 -0.327 0.000 0.611 418 A CB -0.483 18.212 19.000 -0.508 0.000 0.832 418 A HN 0.526 nan 8.150 nan 0.000 0.442 419 R N 0.005 120.421 120.500 -0.141 0.000 2.772 419 R HA 0.531 4.870 4.340 -0.001 0.000 0.358 419 R C 0.218 176.481 176.300 -0.061 0.000 1.143 419 R CA 0.417 56.495 56.100 -0.036 0.000 1.153 419 R CB -0.508 29.829 30.300 0.063 0.000 1.329 419 R HN 1.151 nan 8.270 nan 0.000 0.615 420 G N 0.000 108.738 108.800 -0.103 0.000 5.446 420 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 420 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 420 G CA 0.000 45.041 45.100 -0.098 0.000 0.502 420 G HN 0.000 nan 8.290 nan 0.000 0.925