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 2bpq_1_A DATA FIRST_RESID 25 DATA SEQUENCE PSWPQILGRL TDNRDLARGQ AAWAMDQIMT GNARPAQIAA FAVAMTMKAP DATA SEQUENCE TADEVGELAG VMLSHAHPLP ADTVPDDAVD VVGTGGDGVN TVNLSTMAAI DATA SEQUENCE VVAAAGVPVV KHGNRAASSL SGGADTLEAL GVRIDLGPDL VARSLAEVGI DATA SEQUENCE GFCFAPRFHP SYRHAAAVRR EIGVPTVFNL LGPLTNPARP RAGLIGCAFA DATA SEQUENCE DLAEVMAGVF AARRSSVLVV HGDDGLDELT TTTTSTIWRV AAGSVDKLTF DATA SEQUENCE DPAGFGFARA QLDQLAGGDA QANAAAVRAV LGGARGPVRD AVVLNAAGAI DATA SEQUENCE VAHAGLSSRA EWLPAWEEGL RRASAAIDTG AAEQLLARWV RFGRQ 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 25 P HA 0.000 nan 4.420 nan 0.000 0.216 25 P C 0.000 176.537 177.300 -1.272 0.000 1.155 25 P CA 0.000 62.564 63.100 -0.894 0.000 0.800 25 P CB 0.000 31.052 31.700 -1.080 0.000 0.726 26 S N -1.034 114.057 115.700 -1.016 0.000 2.596 26 S HA 0.487 4.950 4.470 -0.012 0.000 0.270 26 S C 0.025 174.391 174.600 -0.391 0.000 1.155 26 S CA -0.808 56.935 58.200 -0.763 0.000 0.827 26 S CB 1.130 64.164 63.200 -0.277 0.000 1.130 26 S HN 0.539 nan 8.310 nan 0.000 0.467 27 W N 0.873 122.207 121.300 0.057 0.000 2.335 27 W HA 0.083 4.736 4.660 -0.012 0.000 0.311 27 W C -1.147 175.401 176.519 0.049 0.000 1.213 27 W CA 2.008 59.434 57.345 0.135 0.000 1.274 27 W CB -1.656 27.905 29.460 0.169 0.000 1.148 27 W HN 0.580 nan 8.180 nan 0.000 0.498 28 P HA -0.263 nan 4.420 nan 0.000 0.216 28 P C 1.417 178.762 177.300 0.074 0.000 1.150 28 P CA 1.996 65.177 63.100 0.134 0.000 0.837 28 P CB -0.252 31.500 31.700 0.086 0.000 0.786 29 Q N -0.338 119.466 119.800 0.007 0.000 2.050 29 Q HA -0.159 4.174 4.340 -0.012 0.000 0.202 29 Q C 2.026 178.025 176.000 -0.002 0.000 0.980 29 Q CA 1.524 57.306 55.803 -0.033 0.000 0.840 29 Q CB -0.535 28.131 28.738 -0.121 0.000 0.898 29 Q HN 0.193 nan 8.270 nan 0.000 0.424 30 I N 0.550 121.126 120.570 0.010 0.000 2.202 30 I HA -0.289 3.874 4.170 -0.012 0.000 0.242 30 I C 2.281 178.508 176.117 0.184 0.000 1.091 30 I CA 0.849 62.199 61.300 0.084 0.000 1.368 30 I CB -0.194 37.842 38.000 0.060 0.000 1.058 30 I HN 0.248 nan 8.210 nan 0.000 0.410 31 L N 0.386 121.754 121.223 0.242 0.000 2.083 31 L HA -0.141 4.192 4.340 -0.012 0.000 0.209 31 L C 2.654 179.603 176.870 0.130 0.000 1.083 31 L CA 1.491 56.467 54.840 0.226 0.000 0.752 31 L CB -1.203 41.000 42.059 0.241 0.000 0.899 31 L HN 0.346 nan 8.230 nan 0.000 0.433 32 G N -0.506 108.353 108.800 0.097 0.000 2.421 32 G HA2 -0.246 3.707 3.960 -0.012 0.000 0.216 32 G HA3 -0.246 3.707 3.960 -0.012 0.000 0.216 32 G C 1.770 176.698 174.900 0.047 0.000 1.171 32 G CA 0.358 45.493 45.100 0.058 0.000 0.775 32 G HN 0.200 nan 8.290 nan 0.000 0.543 33 R N -0.297 120.231 120.500 0.048 0.000 2.083 33 R HA 0.007 4.340 4.340 -0.012 0.000 0.237 33 R C 2.677 179.002 176.300 0.042 0.000 1.137 33 R CA 1.174 57.296 56.100 0.036 0.000 0.951 33 R CB -0.398 29.922 30.300 0.034 0.000 0.851 33 R HN 0.377 nan 8.270 nan 0.000 0.434 34 L N -0.193 121.070 121.223 0.066 0.000 2.017 34 L HA -0.190 4.143 4.340 -0.012 0.000 0.208 34 L C 2.624 179.513 176.870 0.032 0.000 1.073 34 L CA 1.971 56.843 54.840 0.052 0.000 0.745 34 L CB -0.811 41.296 42.059 0.080 0.000 0.894 34 L HN 0.396 nan 8.230 nan 0.000 0.432 35 T N -4.620 109.957 114.554 0.038 0.000 3.007 35 T HA -0.136 4.207 4.350 -0.012 0.000 0.270 35 T C 1.243 175.952 174.700 0.016 0.000 1.107 35 T CA 0.998 63.112 62.100 0.024 0.000 1.118 35 T CB -0.323 68.562 68.868 0.028 0.000 0.889 35 T HN 0.156 nan 8.240 nan 0.000 0.506 36 D N 1.805 122.216 120.400 0.017 0.000 2.349 36 D HA 0.115 4.748 4.640 -0.012 0.000 0.224 36 D C 0.329 176.633 176.300 0.007 0.000 1.029 36 D CA 0.010 54.016 54.000 0.011 0.000 0.879 36 D CB -0.744 40.062 40.800 0.011 0.000 0.906 36 D HN 0.584 nan 8.370 nan 0.000 0.528 37 N N 0.158 118.861 118.700 0.005 0.000 2.735 37 N HA -0.225 4.508 4.740 -0.012 0.000 0.248 37 N C -0.494 175.016 175.510 0.000 0.000 1.083 37 N CA 0.430 53.480 53.050 -0.000 0.000 0.703 37 N CB -0.662 37.824 38.487 -0.002 0.000 1.005 37 N HN 0.215 nan 8.380 nan 0.000 0.550 38 R N 0.221 120.724 120.500 0.005 0.000 2.668 38 R HA 0.381 4.714 4.340 -0.012 0.000 0.279 38 R C -0.279 176.025 176.300 0.006 0.000 0.976 38 R CA -0.915 55.188 56.100 0.005 0.000 0.978 38 R CB 1.033 31.337 30.300 0.007 0.000 1.133 38 R HN 0.045 nan 8.270 nan 0.000 0.484 39 D N 1.177 121.580 120.400 0.003 0.000 2.360 39 D HA 0.148 4.781 4.640 -0.012 0.000 0.242 39 D C 0.323 176.633 176.300 0.016 0.000 1.184 39 D CA -0.028 53.975 54.000 0.006 0.000 0.930 39 D CB 0.758 41.558 40.800 0.000 0.000 1.161 39 D HN 0.172 nan 8.370 nan 0.000 0.447 40 L N 0.537 121.778 121.223 0.029 0.000 2.439 40 L HA 0.415 4.749 4.340 -0.012 0.000 0.261 40 L C 0.775 177.655 176.870 0.016 0.000 1.153 40 L CA -0.807 54.056 54.840 0.038 0.000 0.808 40 L CB 0.667 42.775 42.059 0.081 0.000 1.126 40 L HN 0.333 nan 8.230 nan 0.000 0.460 41 A N 1.714 124.535 122.820 0.002 0.000 2.322 41 A HA 0.296 4.609 4.320 -0.012 0.000 0.269 41 A C 0.216 177.795 177.584 -0.009 0.000 1.094 41 A CA -0.449 51.581 52.037 -0.012 0.000 0.807 41 A CB 0.287 19.268 19.000 -0.032 0.000 1.047 41 A HN 0.831 nan 8.150 nan 0.000 0.487 42 R N 0.394 120.887 120.500 -0.011 0.000 2.478 42 R HA 0.121 4.454 4.340 -0.012 0.000 0.281 42 R C 1.267 177.559 176.300 -0.013 0.000 0.939 42 R CA 1.734 57.828 56.100 -0.009 0.000 1.120 42 R CB -0.388 29.904 30.300 -0.013 0.000 0.885 42 R HN 1.903 nan 8.270 nan 0.000 0.415 43 G N 2.620 111.421 108.800 0.001 0.000 2.253 43 G HA2 -0.345 3.608 3.960 -0.012 0.000 0.251 43 G HA3 -0.345 3.608 3.960 -0.012 0.000 0.251 43 G C 0.775 175.692 174.900 0.027 0.000 0.998 43 G CA 0.506 45.611 45.100 0.009 0.000 0.621 43 G HN 0.689 nan 8.290 nan 0.000 0.524 44 Q N 0.009 119.816 119.800 0.012 0.000 2.096 44 Q HA 0.297 4.630 4.340 -0.012 0.000 0.197 44 Q C 3.130 179.178 176.000 0.079 0.000 0.964 44 Q CA 1.552 57.362 55.803 0.011 0.000 0.838 44 Q CB -0.192 28.537 28.738 -0.015 0.000 0.906 44 Q HN 0.769 nan 8.270 nan 0.000 0.444 45 A N 1.337 124.234 122.820 0.129 0.000 1.883 45 A HA -0.185 4.128 4.320 -0.012 0.000 0.217 45 A C 2.299 179.950 177.584 0.111 0.000 1.186 45 A CA 1.783 53.956 52.037 0.226 0.000 0.624 45 A CB -0.842 18.290 19.000 0.219 0.000 0.822 45 A HN 0.402 nan 8.150 nan 0.000 0.444 46 A N -1.670 121.189 122.820 0.065 0.000 1.902 46 A HA -0.162 4.151 4.320 -0.012 0.000 0.217 46 A C 1.993 179.562 177.584 -0.025 0.000 1.181 46 A CA 1.580 53.628 52.037 0.018 0.000 0.623 46 A CB -0.953 18.060 19.000 0.022 0.000 0.818 46 A HN 0.853 nan 8.150 nan 0.000 0.443 47 W N 0.633 121.823 121.300 -0.184 0.000 2.333 47 W HA -0.194 4.458 4.660 -0.013 0.000 0.316 47 W C 2.510 178.781 176.519 -0.413 0.000 1.215 47 W CA 2.653 59.838 57.345 -0.266 0.000 1.278 47 W CB -0.292 28.995 29.460 -0.289 0.000 1.154 47 W HN 0.359 nan 8.180 nan 0.000 0.486 48 A N -0.152 122.461 122.820 -0.346 0.000 1.877 48 A HA -0.243 4.070 4.320 -0.012 0.000 0.216 48 A C 1.932 179.144 177.584 -0.620 0.000 1.186 48 A CA 2.256 53.741 52.037 -0.920 0.000 0.620 48 A CB -1.051 17.128 19.000 -1.369 0.000 0.822 48 A HN 0.399 nan 8.150 nan 0.000 0.443 49 M N -0.181 119.210 119.600 -0.349 0.000 2.117 49 M HA -0.140 4.333 4.480 -0.012 0.000 0.262 49 M C 1.479 177.607 176.300 -0.286 0.000 1.065 49 M CA 2.226 57.383 55.300 -0.238 0.000 1.114 49 M CB -0.540 31.978 32.600 -0.137 0.000 1.361 49 M HN 0.428 nan 8.290 nan 0.000 0.408 50 D N -1.157 119.070 120.400 -0.289 0.000 2.183 50 D HA -0.134 4.499 4.640 -0.012 0.000 0.203 50 D C 1.931 178.024 176.300 -0.344 0.000 0.969 50 D CA 0.865 54.718 54.000 -0.246 0.000 0.842 50 D CB 0.065 40.764 40.800 -0.169 0.000 0.957 50 D HN 0.349 nan 8.370 nan 0.000 0.484 51 Q N 0.006 119.468 119.800 -0.564 0.000 2.135 51 Q HA -0.135 4.198 4.340 -0.012 0.000 0.204 51 Q C 2.495 178.389 176.000 -0.178 0.000 0.981 51 Q CA 0.821 56.339 55.803 -0.475 0.000 0.856 51 Q CB -0.212 28.053 28.738 -0.788 0.000 0.902 51 Q HN 0.480 nan 8.270 nan 0.000 0.425 52 I N 0.178 120.660 120.570 -0.146 0.000 2.179 52 I HA -0.254 3.909 4.170 -0.012 0.000 0.242 52 I C 2.138 178.144 176.117 -0.184 0.000 1.088 52 I CA 0.911 62.130 61.300 -0.135 0.000 1.357 52 I CB -0.277 37.577 38.000 -0.243 0.000 1.051 52 I HN 0.170 nan 8.210 nan 0.000 0.409 53 M N 0.228 119.657 119.600 -0.287 0.000 2.460 53 M HA -0.068 4.405 4.480 -0.012 0.000 0.263 53 M C 2.015 178.133 176.300 -0.302 0.000 1.071 53 M CA 1.458 56.536 55.300 -0.370 0.000 1.096 53 M CB -1.432 30.735 32.600 -0.722 0.000 1.408 53 M HN 0.388 nan 8.290 nan 0.000 0.463 54 T N -3.629 110.811 114.554 -0.190 0.000 3.105 54 T HA 0.433 4.776 4.350 -0.012 0.000 0.253 54 T C 1.193 175.856 174.700 -0.063 0.000 1.047 54 T CA 0.418 62.459 62.100 -0.099 0.000 0.944 54 T CB -0.049 68.776 68.868 -0.070 0.000 1.016 54 T HN 0.532 nan 8.240 nan 0.000 0.544 55 G N 1.881 110.649 108.800 -0.053 0.000 2.182 55 G HA2 -0.243 3.710 3.960 -0.012 0.000 0.248 55 G HA3 -0.243 3.710 3.960 -0.012 0.000 0.248 55 G C -0.011 174.889 174.900 -0.001 0.000 1.042 55 G CA -0.069 45.015 45.100 -0.026 0.000 0.775 55 G HN 0.623 nan 8.290 nan 0.000 0.501 56 N N 0.391 119.094 118.700 0.005 0.000 2.535 56 N HA 0.580 5.313 4.740 -0.012 0.000 0.294 56 N C 0.165 175.744 175.510 0.115 0.000 1.408 56 N CA 0.530 53.605 53.050 0.043 0.000 0.927 56 N CB 1.077 39.562 38.487 -0.003 0.000 1.276 56 N HN 0.810 nan 8.380 nan 0.000 0.505 57 A N -0.156 122.717 122.820 0.089 0.000 2.455 57 A HA 0.826 5.139 4.320 -0.012 0.000 0.300 57 A C -0.023 177.545 177.584 -0.027 0.000 1.040 57 A CA -0.734 51.287 52.037 -0.026 0.000 0.697 57 A CB 0.801 19.772 19.000 -0.049 0.000 1.265 57 A HN 0.330 nan 8.150 nan 0.000 0.407 58 R N 2.354 122.734 120.500 -0.200 0.000 2.531 58 R HA 0.639 4.972 4.340 -0.012 0.000 0.273 58 R C -2.094 174.036 176.300 -0.282 0.000 1.070 58 R CA -1.033 54.938 56.100 -0.215 0.000 1.112 58 R CB -1.175 29.001 30.300 -0.206 0.000 1.049 58 R HN 0.606 nan 8.270 nan 0.000 0.508 59 P HA -0.250 nan 4.420 nan 0.000 0.216 59 P C 1.377 178.568 177.300 -0.180 0.000 1.154 59 P CA 2.351 65.281 63.100 -0.284 0.000 0.865 59 P CB 0.158 31.658 31.700 -0.334 0.000 0.789 60 A N -0.602 122.104 122.820 -0.189 0.000 1.933 60 A HA -0.274 4.039 4.320 -0.012 0.000 0.218 60 A C 2.214 179.686 177.584 -0.187 0.000 1.175 60 A CA 1.697 53.643 52.037 -0.152 0.000 0.628 60 A CB -1.236 17.687 19.000 -0.129 0.000 0.814 60 A HN 0.234 nan 8.150 nan 0.000 0.444 61 Q N -0.544 119.060 119.800 -0.328 0.000 2.079 61 Q HA -0.074 4.259 4.340 -0.012 0.000 0.200 61 Q C 2.032 177.778 176.000 -0.424 0.000 0.974 61 Q CA 1.480 56.947 55.803 -0.560 0.000 0.840 61 Q CB -0.326 27.692 28.738 -1.200 0.000 0.898 61 Q HN 0.739 nan 8.270 nan 0.000 0.430 62 I N 0.785 121.184 120.570 -0.284 0.000 2.142 62 I HA -0.303 3.860 4.170 -0.012 0.000 0.240 62 I C 2.460 178.596 176.117 0.033 0.000 1.078 62 I CA 1.159 62.445 61.300 -0.024 0.000 1.343 62 I CB -0.436 37.612 38.000 0.080 0.000 1.046 62 I HN 0.172 nan 8.210 nan 0.000 0.405 63 A N 0.661 123.464 122.820 -0.028 0.000 1.873 63 A HA -0.134 4.179 4.320 -0.012 0.000 0.215 63 A C 2.556 180.110 177.584 -0.049 0.000 1.186 63 A CA 1.816 53.825 52.037 -0.047 0.000 0.616 63 A CB -0.994 17.977 19.000 -0.047 0.000 0.823 63 A HN 0.422 nan 8.150 nan 0.000 0.442 64 A N -1.075 121.730 122.820 -0.025 0.000 1.883 64 A HA -0.114 4.199 4.320 -0.012 0.000 0.217 64 A C 2.095 179.723 177.584 0.073 0.000 1.186 64 A CA 1.823 53.867 52.037 0.012 0.000 0.624 64 A CB -0.785 18.231 19.000 0.026 0.000 0.822 64 A HN 0.728 nan 8.150 nan 0.000 0.444 65 F N 0.809 120.763 119.950 0.008 0.000 2.113 65 F HA -0.002 4.520 4.527 -0.009 0.000 0.297 65 F C 2.534 178.319 175.800 -0.025 0.000 1.103 65 F CA 1.242 59.309 58.000 0.111 0.000 1.248 65 F CB -0.532 38.687 39.000 0.363 0.000 0.999 65 F HN 0.243 nan 8.300 nan 0.000 0.475 66 A N -0.118 122.571 122.820 -0.218 0.000 1.902 66 A HA -0.119 4.194 4.320 -0.012 0.000 0.217 66 A C 2.301 179.603 177.584 -0.469 0.000 1.181 66 A CA 2.003 53.624 52.037 -0.692 0.000 0.623 66 A CB -1.390 16.980 19.000 -1.050 0.000 0.818 66 A HN 0.283 nan 8.150 nan 0.000 0.443 67 V N -0.117 119.628 119.914 -0.282 0.000 2.295 67 V HA -0.244 3.869 4.120 -0.012 0.000 0.246 67 V C 3.073 179.052 176.094 -0.192 0.000 1.049 67 V CA 1.935 64.112 62.300 -0.204 0.000 1.024 67 V CB -1.304 30.442 31.823 -0.129 0.000 0.648 67 V HN 0.620 nan 8.190 nan 0.000 0.447 68 A N -0.376 122.340 122.820 -0.173 0.000 1.883 68 A HA -0.236 4.077 4.320 -0.012 0.000 0.217 68 A C 2.156 179.614 177.584 -0.211 0.000 1.186 68 A CA 2.115 54.064 52.037 -0.146 0.000 0.624 68 A CB -0.491 18.459 19.000 -0.083 0.000 0.822 68 A HN 0.420 nan 8.150 nan 0.000 0.444 69 M N -0.046 119.343 119.600 -0.351 0.000 2.557 69 M HA -0.043 4.430 4.480 -0.012 0.000 0.259 69 M C 1.616 177.760 176.300 -0.261 0.000 1.086 69 M CA 1.416 56.503 55.300 -0.356 0.000 1.096 69 M CB -1.474 30.780 32.600 -0.577 0.000 1.424 69 M HN 0.449 nan 8.290 nan 0.000 0.488 70 T N -0.517 113.883 114.554 -0.257 0.000 3.044 70 T HA 0.139 4.482 4.350 -0.012 0.000 0.255 70 T C 1.890 176.474 174.700 -0.194 0.000 1.073 70 T CA 0.589 62.551 62.100 -0.231 0.000 1.125 70 T CB 0.236 68.965 68.868 -0.231 0.000 0.908 70 T HN 0.290 nan 8.240 nan 0.000 0.480 71 M N 0.434 119.938 119.600 -0.159 0.000 2.248 71 M HA 0.157 4.630 4.480 -0.012 0.000 0.265 71 M C 1.116 177.355 176.300 -0.102 0.000 1.079 71 M CA 0.713 55.943 55.300 -0.118 0.000 1.150 71 M CB 0.057 32.603 32.600 -0.091 0.000 1.366 71 M HN -0.040 nan 8.290 nan 0.000 0.433 72 K N 1.825 122.162 120.400 -0.105 0.000 2.401 72 K HA 0.271 4.584 4.320 -0.012 0.000 0.278 72 K C -0.449 176.098 176.600 -0.088 0.000 1.018 72 K CA -0.353 55.885 56.287 -0.083 0.000 0.981 72 K CB 0.721 33.175 32.500 -0.077 0.000 0.933 72 K HN 0.159 nan 8.250 nan 0.000 0.477 73 A N 6.214 128.994 122.820 -0.065 0.000 2.567 73 A HA 0.131 4.444 4.320 -0.012 0.000 0.240 73 A C -2.061 175.483 177.584 -0.067 0.000 1.053 73 A CA -0.901 51.099 52.037 -0.062 0.000 0.755 73 A CB -0.458 18.519 19.000 -0.038 0.000 0.978 73 A HN 0.573 nan 8.150 nan 0.000 0.507 74 P HA 0.354 nan 4.420 nan 0.000 0.274 74 P C -0.170 177.095 177.300 -0.059 0.000 1.237 74 P CA 0.009 63.061 63.100 -0.079 0.000 0.793 74 P CB 1.051 32.692 31.700 -0.097 0.000 0.977 75 T N -3.485 111.039 114.554 -0.051 0.000 2.906 75 T HA 0.598 4.941 4.350 -0.012 0.000 0.295 75 T C 1.035 175.709 174.700 -0.044 0.000 1.061 75 T CA -0.345 61.732 62.100 -0.039 0.000 1.000 75 T CB 1.544 70.398 68.868 -0.024 0.000 1.103 75 T HN 0.292 nan 8.240 nan 0.000 0.486 76 A N 1.537 124.332 122.820 -0.042 0.000 1.933 76 A HA -0.014 4.299 4.320 -0.012 0.000 0.218 76 A C 1.892 179.452 177.584 -0.040 0.000 1.175 76 A CA 1.676 53.683 52.037 -0.049 0.000 0.628 76 A CB -0.972 18.004 19.000 -0.040 0.000 0.814 76 A HN 0.896 nan 8.150 nan 0.000 0.444 77 D N -0.227 120.158 120.400 -0.025 0.000 2.097 77 D HA -0.135 4.498 4.640 -0.012 0.000 0.195 77 D C 1.950 178.244 176.300 -0.010 0.000 0.989 77 D CA 1.585 55.576 54.000 -0.016 0.000 0.827 77 D CB -0.339 40.456 40.800 -0.008 0.000 0.966 77 D HN 0.661 nan 8.370 nan 0.000 0.456 78 E N 0.024 120.221 120.200 -0.005 0.000 2.046 78 E HA -0.081 4.263 4.350 -0.012 0.000 0.190 78 E C 2.299 178.902 176.600 0.006 0.000 0.982 78 E CA 0.410 56.818 56.400 0.014 0.000 0.800 78 E CB 0.131 29.840 29.700 0.015 0.000 0.756 78 E HN 0.018 nan 8.360 nan 0.000 0.449 79 V N 0.856 120.755 119.914 -0.024 0.000 2.407 79 V HA -0.199 3.914 4.120 -0.012 0.000 0.248 79 V C 2.293 178.354 176.094 -0.055 0.000 1.055 79 V CA 1.966 64.242 62.300 -0.041 0.000 1.049 79 V CB -0.908 30.873 31.823 -0.070 0.000 0.662 79 V HN 0.434 nan 8.190 nan 0.000 0.455 80 G N -0.602 108.161 108.800 -0.062 0.000 2.440 80 G HA2 -0.253 3.700 3.960 -0.012 0.000 0.218 80 G HA3 -0.253 3.700 3.960 -0.012 0.000 0.218 80 G C 1.467 176.341 174.900 -0.043 0.000 1.154 80 G CA 0.964 46.022 45.100 -0.069 0.000 0.767 80 G HN 0.567 nan 8.290 nan 0.000 0.552 81 E N 0.011 120.200 120.200 -0.017 0.000 2.047 81 E HA -0.039 4.304 4.350 -0.012 0.000 0.191 81 E C 2.667 179.268 176.600 0.002 0.000 0.987 81 E CA 0.595 56.995 56.400 -0.000 0.000 0.799 81 E CB -0.217 29.498 29.700 0.025 0.000 0.752 81 E HN 0.384 nan 8.360 nan 0.000 0.449 82 L N 0.656 121.890 121.223 0.017 0.000 1.989 82 L HA -0.214 4.119 4.340 -0.012 0.000 0.211 82 L C 2.660 179.510 176.870 -0.033 0.000 1.071 82 L CA 1.229 56.075 54.840 0.010 0.000 0.749 82 L CB -0.582 41.503 42.059 0.044 0.000 0.890 82 L HN 0.150 nan 8.230 nan 0.000 0.431 83 A N 0.243 123.039 122.820 -0.039 0.000 1.933 83 A HA -0.104 4.209 4.320 -0.012 0.000 0.218 83 A C 2.399 179.960 177.584 -0.039 0.000 1.175 83 A CA 1.655 53.661 52.037 -0.050 0.000 0.628 83 A CB -1.213 17.738 19.000 -0.082 0.000 0.814 83 A HN 0.459 nan 8.150 nan 0.000 0.444 84 G N -0.537 108.239 108.800 -0.040 0.000 2.418 84 G HA2 -0.109 3.844 3.960 -0.012 0.000 0.217 84 G HA3 -0.109 3.844 3.960 -0.012 0.000 0.217 84 G C 1.517 176.405 174.900 -0.020 0.000 1.158 84 G CA 1.226 46.306 45.100 -0.033 0.000 0.771 84 G HN 0.302 nan 8.290 nan 0.000 0.545 85 V N 1.138 121.045 119.914 -0.011 0.000 2.261 85 V HA -0.229 3.884 4.120 -0.012 0.000 0.246 85 V C 2.933 179.083 176.094 0.094 0.000 1.047 85 V CA 2.207 64.521 62.300 0.023 0.000 1.015 85 V CB -0.452 31.372 31.823 0.001 0.000 0.642 85 V HN 0.377 nan 8.190 nan 0.000 0.446 86 M N -0.867 118.753 119.600 0.033 0.000 2.108 86 M HA -0.214 4.259 4.480 -0.012 0.000 0.261 86 M C 2.215 178.587 176.300 0.120 0.000 1.066 86 M CA 1.844 57.179 55.300 0.058 0.000 1.107 86 M CB -0.538 32.044 32.600 -0.030 0.000 1.356 86 M HN 0.359 nan 8.290 nan 0.000 0.406 87 L N 0.396 121.658 121.223 0.065 0.000 2.141 87 L HA -0.123 4.210 4.340 -0.012 0.000 0.209 87 L C 2.634 179.520 176.870 0.027 0.000 1.094 87 L CA 2.014 56.893 54.840 0.065 0.000 0.763 87 L CB -0.648 41.423 42.059 0.020 0.000 0.908 87 L HN 0.368 nan 8.230 nan 0.000 0.437 88 S N -2.070 113.614 115.700 -0.026 0.000 2.423 88 S HA -0.197 4.267 4.470 -0.012 0.000 0.231 88 S C 1.840 176.288 174.600 -0.253 0.000 1.014 88 S CA 1.034 59.146 58.200 -0.148 0.000 0.965 88 S CB -0.838 62.233 63.200 -0.215 0.000 0.785 88 S HN 0.636 nan 8.310 nan 0.000 0.495 89 H N 1.199 120.262 119.070 -0.011 0.000 2.548 89 H HA 0.491 5.040 4.556 -0.012 0.000 0.265 89 H C 1.145 176.479 175.328 0.010 0.000 0.969 89 H CA 0.430 56.471 56.048 -0.012 0.000 1.155 89 H CB -0.215 29.551 29.762 0.007 0.000 1.394 89 H HN 0.572 nan 8.280 nan 0.000 0.570 90 A N 1.483 124.379 122.820 0.127 0.000 2.386 90 A HA 0.098 4.411 4.320 -0.012 0.000 0.248 90 A C -0.040 177.563 177.584 0.032 0.000 1.082 90 A CA -0.286 51.828 52.037 0.128 0.000 0.789 90 A CB 0.104 19.178 19.000 0.124 0.000 1.025 90 A HN 0.384 nan 8.150 nan 0.000 0.490 91 H N 2.494 121.558 119.070 -0.009 0.000 2.819 91 H HA 0.194 4.746 4.556 -0.006 0.000 0.303 91 H C -2.012 173.366 175.328 0.084 0.000 1.058 91 H CA -0.824 55.199 56.048 -0.043 0.000 1.471 91 H CB 0.495 30.093 29.762 -0.274 0.000 1.480 91 H HN 0.535 nan 8.280 nan 0.000 0.517 92 P HA 0.110 nan 4.420 nan 0.000 0.278 92 P C -0.210 177.193 177.300 0.171 0.000 1.266 92 P CA -0.713 62.457 63.100 0.117 0.000 0.807 92 P CB 1.289 33.011 31.700 0.037 0.000 1.094 93 L N 1.533 122.842 121.223 0.145 0.000 2.421 93 L HA 0.423 4.757 4.340 -0.012 0.000 0.263 93 L C -1.871 175.047 176.870 0.080 0.000 1.122 93 L CA -1.628 53.295 54.840 0.138 0.000 0.804 93 L CB -0.959 41.160 42.059 0.100 0.000 1.150 93 L HN 0.322 nan 8.230 nan 0.000 0.457 94 P HA 0.126 nan 4.420 nan 0.000 0.267 94 P C -0.971 176.349 177.300 0.033 0.000 1.200 94 P CA -0.416 62.713 63.100 0.047 0.000 0.772 94 P CB 0.324 32.054 31.700 0.049 0.000 0.855 95 A N 2.410 125.243 122.820 0.022 0.000 2.561 95 A HA 0.063 4.376 4.320 -0.012 0.000 0.234 95 A C 0.558 178.151 177.584 0.015 0.000 1.055 95 A CA 0.284 52.330 52.037 0.015 0.000 0.756 95 A CB -0.784 18.222 19.000 0.009 0.000 0.986 95 A HN 0.728 nan 8.150 nan 0.000 0.505 96 D N 0.433 120.840 120.400 0.011 0.000 2.772 96 D HA -0.162 4.471 4.640 -0.012 0.000 0.233 96 D C 0.959 177.265 176.300 0.010 0.000 1.143 96 D CA 1.946 55.951 54.000 0.008 0.000 0.700 96 D CB -1.831 38.974 40.800 0.007 0.000 1.076 96 D HN 1.000 nan 8.370 nan 0.000 0.430 97 T N -4.988 109.573 114.554 0.012 0.000 2.975 97 T HA 0.315 4.658 4.350 -0.012 0.000 0.257 97 T C 0.614 175.314 174.700 0.000 0.000 1.003 97 T CA -0.119 61.988 62.100 0.011 0.000 0.932 97 T CB 0.735 69.618 68.868 0.026 0.000 1.087 97 T HN 0.023 nan 8.240 nan 0.000 0.512 98 V N 3.913 123.827 119.914 -0.001 0.000 2.350 98 V HA 0.438 4.551 4.120 -0.012 0.000 0.276 98 V C -2.310 173.778 176.094 -0.009 0.000 1.028 98 V CA -2.030 60.264 62.300 -0.010 0.000 0.860 98 V CB 0.907 32.725 31.823 -0.009 0.000 0.990 98 V HN 0.256 nan 8.190 nan 0.000 0.453 99 P HA 0.098 nan 4.420 nan 0.000 0.267 99 P C 0.478 177.778 177.300 0.000 0.000 1.200 99 P CA -0.112 62.984 63.100 -0.007 0.000 0.772 99 P CB 0.612 32.306 31.700 -0.010 0.000 0.855 100 D N 0.904 121.305 120.400 0.002 0.000 2.221 100 D HA -0.162 4.472 4.640 -0.012 0.000 0.204 100 D C 0.974 177.275 176.300 0.001 0.000 0.982 100 D CA 1.380 55.380 54.000 -0.001 0.000 0.857 100 D CB -0.208 40.588 40.800 -0.007 0.000 0.934 100 D HN 0.554 nan 8.370 nan 0.000 0.475 101 D N -0.492 119.922 120.400 0.023 0.000 2.368 101 D HA 0.146 4.779 4.640 -0.012 0.000 0.218 101 D C 0.337 176.706 176.300 0.115 0.000 1.112 101 D CA -0.293 53.744 54.000 0.063 0.000 0.834 101 D CB -0.373 40.501 40.800 0.124 0.000 0.953 101 D HN -0.041 nan 8.370 nan 0.000 0.505 102 A N 0.587 123.433 122.820 0.042 0.000 2.483 102 A HA 0.445 4.758 4.320 -0.012 0.000 0.238 102 A C 0.505 178.103 177.584 0.022 0.000 1.070 102 A CA -0.033 52.013 52.037 0.015 0.000 0.770 102 A CB 0.505 19.496 19.000 -0.014 0.000 1.008 102 A HN 0.480 nan 8.150 nan 0.000 0.497 103 V N -0.491 119.424 119.914 0.001 0.000 3.001 103 V HA 0.722 4.835 4.120 -0.012 0.000 0.314 103 V C -0.647 175.442 176.094 -0.008 0.000 1.099 103 V CA -1.009 61.288 62.300 -0.004 0.000 0.989 103 V CB 1.957 33.775 31.823 -0.009 0.000 1.040 103 V HN 0.827 nan 8.190 nan 0.000 0.434 104 D N 0.931 121.331 120.400 -0.000 0.000 2.277 104 D HA 0.692 5.325 4.640 -0.012 0.000 0.250 104 D C -1.073 175.239 176.300 0.020 0.000 1.032 104 D CA -0.229 53.791 54.000 0.033 0.000 0.947 104 D CB 2.054 42.896 40.800 0.070 0.000 1.159 104 D HN 0.591 nan 8.370 nan 0.000 0.460 105 V N 2.770 122.713 119.914 0.049 0.000 2.532 105 V HA 0.450 4.563 4.120 -0.012 0.000 0.294 105 V C -0.670 175.471 176.094 0.077 0.000 1.036 105 V CA -0.716 61.608 62.300 0.041 0.000 0.876 105 V CB 1.698 33.537 31.823 0.027 0.000 1.012 105 V HN 0.382 nan 8.190 nan 0.000 0.432 106 V N 3.884 123.844 119.914 0.077 0.000 2.969 106 V HA 0.931 5.044 4.120 -0.012 0.000 0.304 106 V C -0.075 176.071 176.094 0.087 0.000 1.192 106 V CA 0.225 62.583 62.300 0.096 0.000 0.962 106 V CB 2.455 34.349 31.823 0.120 0.000 1.045 106 V HN 0.926 nan 8.190 nan 0.000 0.428 107 G N 2.154 111.003 108.800 0.082 0.000 2.372 107 G HA2 0.470 4.423 3.960 -0.012 0.000 0.323 107 G HA3 0.470 4.423 3.960 -0.012 0.000 0.323 107 G C 0.840 175.789 174.900 0.081 0.000 1.152 107 G CA 0.266 45.413 45.100 0.079 0.000 0.906 107 G HN 1.283 nan 8.290 nan 0.000 0.460 108 T N 0.119 114.728 114.554 0.092 0.000 2.915 108 T HA 0.301 4.644 4.350 -0.012 0.000 0.269 108 T C 1.700 176.452 174.700 0.088 0.000 1.071 108 T CA 1.237 63.396 62.100 0.100 0.000 1.132 108 T CB -0.542 68.408 68.868 0.137 0.000 0.878 108 T HN 2.193 nan 8.240 nan 0.000 0.479 109 G N 0.700 109.534 108.800 0.057 0.000 2.601 109 G HA2 0.324 4.277 3.960 -0.012 0.000 0.252 109 G HA3 0.324 4.277 3.960 -0.012 0.000 0.252 109 G C 0.306 175.216 174.900 0.016 0.000 1.294 109 G CA -0.180 44.937 45.100 0.029 0.000 0.912 109 G HN 2.190 nan 8.290 nan 0.000 0.574 110 G N -1.893 106.926 108.800 0.030 0.000 2.629 110 G HA2 0.468 4.421 3.960 -0.012 0.000 0.686 110 G HA3 0.468 4.421 3.960 -0.012 0.000 0.686 110 G C 0.038 174.865 174.900 -0.122 0.000 1.232 110 G CA 1.081 46.238 45.100 0.095 0.000 0.803 110 G HN 2.610 nan 8.290 nan 0.000 0.638 111 D N -1.106 119.321 120.400 0.046 0.000 2.981 111 D HA 0.109 4.742 4.640 -0.012 0.000 0.223 111 D C 2.004 178.290 176.300 -0.024 0.000 1.151 111 D CA 3.650 57.635 54.000 -0.025 0.000 0.827 111 D CB -1.137 39.475 40.800 -0.312 0.000 1.101 111 D HN 2.548 nan 8.370 nan 0.000 0.426 112 G N -2.233 106.572 108.800 0.008 0.000 2.212 112 G HA2 -0.333 3.620 3.960 -0.012 0.000 0.266 112 G HA3 -0.333 3.620 3.960 -0.012 0.000 0.266 112 G C 0.470 175.365 174.900 -0.008 0.000 0.978 112 G CA 0.323 45.427 45.100 0.007 0.000 0.632 112 G HN 0.882 nan 8.290 nan 0.000 0.537 113 V N 1.605 121.498 119.914 -0.035 0.000 2.555 113 V HA 0.493 4.606 4.120 -0.012 0.000 0.286 113 V C 0.375 176.464 176.094 -0.009 0.000 1.044 113 V CA -0.040 62.240 62.300 -0.034 0.000 1.026 113 V CB 1.607 33.389 31.823 -0.068 0.000 0.981 113 V HN 0.465 nan 8.190 nan 0.000 0.480 114 N N 3.081 121.781 118.700 0.001 0.000 2.571 114 N HA 0.192 4.925 4.740 -0.012 0.000 0.286 114 N C -0.071 175.448 175.510 0.015 0.000 1.138 114 N CA -0.122 52.936 53.050 0.014 0.000 0.859 114 N CB 2.195 40.693 38.487 0.020 0.000 1.414 114 N HN 0.752 nan 8.380 nan 0.000 0.529 115 T N -0.347 114.219 114.554 0.021 0.000 3.293 115 T HA 0.140 4.483 4.350 -0.012 0.000 0.276 115 T C 1.526 176.245 174.700 0.031 0.000 1.003 115 T CA -0.240 61.874 62.100 0.023 0.000 0.916 115 T CB -0.154 68.727 68.868 0.022 0.000 1.134 115 T HN 0.054 nan 8.240 nan 0.000 0.530 116 V N 2.871 122.804 119.914 0.033 0.000 2.568 116 V HA -0.263 3.850 4.120 -0.012 0.000 0.253 116 V C 2.896 179.008 176.094 0.031 0.000 1.072 116 V CA 2.108 64.431 62.300 0.038 0.000 1.084 116 V CB -0.855 30.989 31.823 0.035 0.000 0.676 116 V HN 0.774 nan 8.190 nan 0.000 0.469 117 N N 1.303 120.018 118.700 0.024 0.000 2.058 117 N HA -0.194 4.539 4.740 -0.012 0.000 0.191 117 N C 1.784 177.312 175.510 0.029 0.000 1.037 117 N CA 1.900 54.963 53.050 0.022 0.000 0.848 117 N CB -0.836 37.661 38.487 0.018 0.000 1.021 117 N HN 0.455 nan 8.380 nan 0.000 0.422 118 L N 0.162 121.404 121.223 0.031 0.000 2.017 118 L HA -0.069 4.264 4.340 -0.012 0.000 0.208 118 L C 2.819 179.713 176.870 0.040 0.000 1.073 118 L CA 1.364 56.224 54.840 0.034 0.000 0.745 118 L CB -0.709 41.368 42.059 0.031 0.000 0.894 118 L HN 0.239 nan 8.230 nan 0.000 0.432 119 S N -0.685 115.042 115.700 0.044 0.000 2.356 119 S HA -0.189 4.274 4.470 -0.012 0.000 0.223 119 S C 2.011 176.649 174.600 0.063 0.000 1.032 119 S CA 2.020 60.253 58.200 0.054 0.000 1.005 119 S CB -0.217 63.021 63.200 0.064 0.000 0.867 119 S HN 0.434 nan 8.310 nan 0.000 0.449 120 T N 2.322 116.913 114.554 0.061 0.000 2.684 120 T HA -0.093 4.250 4.350 -0.012 0.000 0.267 120 T C 1.860 176.604 174.700 0.073 0.000 1.036 120 T CA 1.752 63.894 62.100 0.070 0.000 1.148 120 T CB -0.330 68.562 68.868 0.040 0.000 0.863 120 T HN 0.394 nan 8.240 nan 0.000 0.436 121 M N 0.763 120.395 119.600 0.054 0.000 2.117 121 M HA -0.036 4.437 4.480 -0.012 0.000 0.262 121 M C 2.825 179.151 176.300 0.042 0.000 1.065 121 M CA 1.495 56.824 55.300 0.049 0.000 1.114 121 M CB -0.458 32.166 32.600 0.041 0.000 1.361 121 M HN 0.319 nan 8.290 nan 0.000 0.408 122 A N 0.371 123.213 122.820 0.038 0.000 1.933 122 A HA -0.062 4.251 4.320 -0.012 0.000 0.218 122 A C 2.347 179.938 177.584 0.011 0.000 1.175 122 A CA 1.901 53.952 52.037 0.023 0.000 0.628 122 A CB -0.864 18.150 19.000 0.022 0.000 0.814 122 A HN 0.501 nan 8.150 nan 0.000 0.444 123 A N -0.044 122.793 122.820 0.029 0.000 1.898 123 A HA -0.059 4.254 4.320 -0.012 0.000 0.216 123 A C 2.107 179.681 177.584 -0.017 0.000 1.181 123 A CA 1.485 53.530 52.037 0.015 0.000 0.620 123 A CB -0.597 18.440 19.000 0.061 0.000 0.819 123 A HN 0.485 nan 8.150 nan 0.000 0.442 124 I N -0.437 120.146 120.570 0.022 0.000 2.226 124 I HA -0.220 3.943 4.170 -0.012 0.000 0.245 124 I C 2.346 178.448 176.117 -0.025 0.000 1.100 124 I CA 1.108 62.412 61.300 0.007 0.000 1.374 124 I CB -0.317 37.738 38.000 0.090 0.000 1.057 124 I HN 0.151 nan 8.210 nan 0.000 0.413 125 V N 0.316 120.223 119.914 -0.011 0.000 2.295 125 V HA -0.244 3.869 4.120 -0.012 0.000 0.246 125 V C 2.446 178.507 176.094 -0.054 0.000 1.049 125 V CA 1.623 63.910 62.300 -0.022 0.000 1.024 125 V CB -0.430 31.390 31.823 -0.005 0.000 0.648 125 V HN 0.236 nan 8.190 nan 0.000 0.447 126 V N 0.332 120.207 119.914 -0.065 0.000 2.287 126 V HA -0.285 3.828 4.120 -0.012 0.000 0.248 126 V C 2.715 178.731 176.094 -0.130 0.000 1.053 126 V CA 2.166 64.405 62.300 -0.102 0.000 1.027 126 V CB -1.182 30.582 31.823 -0.098 0.000 0.646 126 V HN 0.569 nan 8.190 nan 0.000 0.447 127 A N -0.077 122.664 122.820 -0.131 0.000 1.902 127 A HA -0.105 4.208 4.320 -0.012 0.000 0.217 127 A C 2.389 179.888 177.584 -0.142 0.000 1.181 127 A CA 2.034 53.973 52.037 -0.164 0.000 0.623 127 A CB -0.766 18.104 19.000 -0.217 0.000 0.818 127 A HN 0.594 nan 8.150 nan 0.000 0.443 128 A N -0.394 122.361 122.820 -0.108 0.000 2.015 128 A HA 0.247 4.561 4.320 -0.012 0.000 0.219 128 A C 2.261 179.797 177.584 -0.080 0.000 1.163 128 A CA 1.648 53.637 52.037 -0.081 0.000 0.646 128 A CB -0.697 18.273 19.000 -0.050 0.000 0.806 128 A HN 1.056 nan 8.150 nan 0.000 0.448 129 A N -1.856 120.908 122.820 -0.094 0.000 2.206 129 A HA 0.396 4.709 4.320 -0.012 0.000 0.211 129 A C 1.738 179.250 177.584 -0.121 0.000 1.158 129 A CA 1.289 53.267 52.037 -0.098 0.000 0.761 129 A CB -0.759 18.177 19.000 -0.107 0.000 0.801 129 A HN 1.818 nan 8.150 nan 0.000 0.473 130 G N -2.179 106.540 108.800 -0.135 0.000 2.163 130 G HA2 -0.147 3.806 3.960 -0.012 0.000 0.213 130 G HA3 -0.147 3.806 3.960 -0.012 0.000 0.213 130 G C 0.002 174.785 174.900 -0.195 0.000 0.991 130 G CA -0.017 44.999 45.100 -0.140 0.000 0.653 130 G HN 0.759 nan 8.290 nan 0.000 0.518 131 V N 2.087 121.851 119.914 -0.250 0.000 2.350 131 V HA 0.459 4.572 4.120 -0.012 0.000 0.276 131 V C -1.787 174.179 176.094 -0.215 0.000 1.028 131 V CA -1.729 60.364 62.300 -0.346 0.000 0.860 131 V CB 1.613 33.150 31.823 -0.478 0.000 0.990 131 V HN 0.102 nan 8.190 nan 0.000 0.453 132 P HA 0.170 nan 4.420 nan 0.000 0.267 132 P C -0.710 176.520 177.300 -0.116 0.000 1.205 132 P CA 0.105 63.127 63.100 -0.130 0.000 0.765 132 P CB 0.685 32.332 31.700 -0.088 0.000 0.828 133 V N 4.831 124.664 119.914 -0.136 0.000 2.495 133 V HA 0.428 4.541 4.120 -0.012 0.000 0.298 133 V C -0.122 175.920 176.094 -0.086 0.000 1.031 133 V CA -0.627 61.613 62.300 -0.101 0.000 0.871 133 V CB 2.255 34.013 31.823 -0.108 0.000 0.988 133 V HN 0.291 nan 8.190 nan 0.000 0.432 134 V N 6.223 126.115 119.914 -0.038 0.000 2.447 134 V HA 0.572 4.685 4.120 -0.012 0.000 0.292 134 V C -0.398 175.711 176.094 0.025 0.000 1.021 134 V CA -0.419 61.865 62.300 -0.026 0.000 0.850 134 V CB 1.582 33.371 31.823 -0.057 0.000 1.005 134 V HN 0.947 nan 8.190 nan 0.000 0.426 135 K N 5.326 125.776 120.400 0.083 0.000 2.238 135 K HA 0.712 5.025 4.320 -0.012 0.000 0.239 135 K C -1.144 175.458 176.600 0.004 0.000 0.987 135 K CA -0.839 55.543 56.287 0.158 0.000 0.857 135 K CB 1.598 34.297 32.500 0.332 0.000 1.154 135 K HN 0.914 nan 8.250 nan 0.000 0.439 136 H N -1.306 117.653 119.070 -0.186 0.000 2.928 136 H HA 0.807 5.356 4.556 -0.011 0.000 0.371 136 H C -0.495 174.718 175.328 -0.191 0.000 1.186 136 H CA -1.128 54.665 56.048 -0.425 0.000 1.134 136 H CB 1.887 31.495 29.762 -0.256 0.000 1.824 136 H HN 0.765 nan 8.280 nan 0.000 0.554 137 G N 0.918 109.509 108.800 -0.348 0.000 2.322 137 G HA2 0.171 4.124 3.960 -0.012 0.000 0.295 137 G HA3 0.171 4.124 3.960 -0.012 0.000 0.295 137 G C -1.791 173.256 174.900 0.246 0.000 1.369 137 G CA -0.859 44.249 45.100 0.014 0.000 0.821 137 G HN 0.741 nan 8.290 nan 0.000 0.536 138 N N -0.675 118.176 118.700 0.252 0.000 2.545 138 N HA 0.510 5.243 4.740 -0.012 0.000 0.289 138 N C 0.090 175.806 175.510 0.343 0.000 1.279 138 N CA -0.766 52.444 53.050 0.267 0.000 0.824 138 N CB 1.965 40.500 38.487 0.079 0.000 1.395 138 N HN 0.575 nan 8.380 nan 0.000 0.526 139 R N 0.188 120.912 120.500 0.374 0.000 2.734 139 R HA 0.150 4.483 4.340 -0.012 0.000 0.266 139 R C 1.048 177.433 176.300 0.142 0.000 1.044 139 R CA 0.195 56.434 56.100 0.231 0.000 1.128 139 R CB 0.194 30.626 30.300 0.220 0.000 1.010 139 R HN 0.683 nan 8.270 nan 0.000 0.461 140 A N 2.002 124.881 122.820 0.098 0.000 1.978 140 A HA -0.200 4.113 4.320 -0.012 0.000 0.220 140 A C 1.956 179.578 177.584 0.064 0.000 1.170 140 A CA 2.056 54.136 52.037 0.071 0.000 0.636 140 A CB -0.493 18.536 19.000 0.049 0.000 0.810 140 A HN 0.808 nan 8.150 nan 0.000 0.448 141 A N -1.252 121.608 122.820 0.066 0.000 2.238 141 A HA 0.265 4.578 4.320 -0.012 0.000 0.208 141 A C 1.669 179.288 177.584 0.057 0.000 1.177 141 A CA 1.216 53.286 52.037 0.055 0.000 0.804 141 A CB -0.180 18.850 19.000 0.050 0.000 0.823 141 A HN 0.367 nan 8.150 nan 0.000 0.482 142 S N -0.387 115.355 115.700 0.069 0.000 2.730 142 S HA 0.309 4.773 4.470 -0.012 0.000 0.244 142 S C 0.039 174.671 174.600 0.054 0.000 1.022 142 S CA 0.271 58.505 58.200 0.058 0.000 1.014 142 S CB 0.051 63.289 63.200 0.063 0.000 0.963 142 S HN 0.775 nan 8.310 nan 0.000 0.540 143 S N -0.435 115.301 115.700 0.060 0.000 2.615 143 S HA 0.528 4.991 4.470 -0.012 0.000 0.268 143 S C 0.262 174.899 174.600 0.062 0.000 1.146 143 S CA -0.872 57.363 58.200 0.059 0.000 0.818 143 S CB 0.411 63.646 63.200 0.059 0.000 1.111 143 S HN 0.030 nan 8.310 nan 0.000 0.465 144 L N 0.654 121.916 121.223 0.065 0.000 2.044 144 L HA 0.161 4.494 4.340 -0.012 0.000 0.205 144 L C 1.525 178.432 176.870 0.062 0.000 1.075 144 L CA 1.181 56.062 54.840 0.068 0.000 0.747 144 L CB -0.240 41.871 42.059 0.087 0.000 0.903 144 L HN 0.766 nan 8.230 nan 0.000 0.435 145 S N -0.618 115.121 115.700 0.064 0.000 2.835 145 S HA 0.284 4.747 4.470 -0.012 0.000 0.248 145 S C 0.379 175.025 174.600 0.076 0.000 1.070 145 S CA -0.429 57.808 58.200 0.063 0.000 1.090 145 S CB 0.644 63.880 63.200 0.059 0.000 0.978 145 S HN 0.307 nan 8.310 nan 0.000 0.510 146 G N 0.095 108.947 108.800 0.086 0.000 2.361 146 G HA2 0.441 4.395 3.960 -0.012 0.000 0.260 146 G HA3 0.441 4.395 3.960 -0.012 0.000 0.260 146 G C 0.726 175.693 174.900 0.112 0.000 1.261 146 G CA -0.197 44.978 45.100 0.126 0.000 0.897 146 G HN 0.415 nan 8.290 nan 0.000 0.499 147 G N 1.003 109.874 108.800 0.119 0.000 3.502 147 G HA2 0.359 4.312 3.960 -0.012 0.000 0.267 147 G HA3 0.359 4.312 3.960 -0.012 0.000 0.267 147 G C 1.379 176.239 174.900 -0.068 0.000 1.090 147 G CA 0.961 46.080 45.100 0.032 0.000 0.795 147 G HN 0.876 nan 8.290 nan 0.000 0.535 148 A N 0.968 123.786 122.820 -0.002 0.000 1.940 148 A HA -0.091 4.222 4.320 -0.012 0.000 0.219 148 A C 2.008 179.505 177.584 -0.144 0.000 1.176 148 A CA 1.854 53.812 52.037 -0.132 0.000 0.631 148 A CB -0.179 18.978 19.000 0.262 0.000 0.814 148 A HN 0.271 nan 8.150 nan 0.000 0.446 149 D N -0.778 119.593 120.400 -0.049 0.000 2.144 149 D HA -0.084 4.549 4.640 -0.012 0.000 0.200 149 D C 1.977 178.220 176.300 -0.093 0.000 0.978 149 D CA 1.773 55.738 54.000 -0.058 0.000 0.833 149 D CB -0.464 40.329 40.800 -0.011 0.000 0.961 149 D HN 0.390 nan 8.370 nan 0.000 0.470 150 T N 1.545 116.045 114.554 -0.091 0.000 2.708 150 T HA -0.077 4.266 4.350 -0.012 0.000 0.266 150 T C 2.279 176.885 174.700 -0.158 0.000 1.037 150 T CA 0.523 62.566 62.100 -0.095 0.000 1.146 150 T CB -0.313 68.517 68.868 -0.064 0.000 0.865 150 T HN 0.108 nan 8.240 nan 0.000 0.435 151 L N 0.609 121.686 121.223 -0.243 0.000 2.043 151 L HA -0.173 4.160 4.340 -0.012 0.000 0.212 151 L C 2.757 179.423 176.870 -0.340 0.000 1.075 151 L CA 1.611 56.228 54.840 -0.371 0.000 0.752 151 L CB -0.497 41.207 42.059 -0.592 0.000 0.891 151 L HN 0.346 nan 8.230 nan 0.000 0.432 152 E N -0.148 119.887 120.200 -0.275 0.000 2.106 152 E HA -0.190 4.153 4.350 -0.012 0.000 0.192 152 E C 2.213 178.714 176.600 -0.166 0.000 0.984 152 E CA 0.951 57.216 56.400 -0.224 0.000 0.806 152 E CB -0.002 29.587 29.700 -0.186 0.000 0.750 152 E HN 0.469 nan 8.360 nan 0.000 0.458 153 A N 0.418 123.157 122.820 -0.135 0.000 2.067 153 A HA -0.099 4.214 4.320 -0.012 0.000 0.219 153 A C 1.947 179.471 177.584 -0.100 0.000 1.158 153 A CA 0.767 52.745 52.037 -0.097 0.000 0.661 153 A CB -0.323 18.632 19.000 -0.074 0.000 0.801 153 A HN 0.243 nan 8.150 nan 0.000 0.452 154 L N -1.595 119.549 121.223 -0.132 0.000 2.554 154 L HA 0.177 4.510 4.340 -0.012 0.000 0.226 154 L C 1.682 178.469 176.870 -0.139 0.000 1.137 154 L CA 0.641 55.407 54.840 -0.124 0.000 0.863 154 L CB -0.018 41.957 42.059 -0.140 0.000 0.985 154 L HN 0.570 nan 8.230 nan 0.000 0.451 155 G N -0.381 108.321 108.800 -0.163 0.000 2.159 155 G HA2 -0.221 3.732 3.960 -0.012 0.000 0.227 155 G HA3 -0.221 3.732 3.960 -0.012 0.000 0.227 155 G C 0.159 174.932 174.900 -0.213 0.000 0.986 155 G CA -0.122 44.887 45.100 -0.151 0.000 0.651 155 G HN 0.054 nan 8.290 nan 0.000 0.523 156 V N 0.944 120.653 119.914 -0.342 0.000 2.583 156 V HA 0.422 4.535 4.120 -0.012 0.000 0.287 156 V C 1.196 177.076 176.094 -0.357 0.000 1.051 156 V CA -0.338 61.650 62.300 -0.520 0.000 1.010 156 V CB 1.487 32.712 31.823 -0.997 0.000 0.988 156 V HN 0.408 nan 8.190 nan 0.000 0.478 157 R N 4.080 124.434 120.500 -0.243 0.000 2.220 157 R HA 0.295 4.628 4.340 -0.012 0.000 0.340 157 R C 1.094 177.347 176.300 -0.078 0.000 1.076 157 R CA -0.204 55.821 56.100 -0.125 0.000 0.920 157 R CB 0.286 30.564 30.300 -0.036 0.000 1.062 157 R HN 0.848 nan 8.270 nan 0.000 0.469 158 I N -0.425 120.062 120.570 -0.138 0.000 2.852 158 I HA 0.165 4.328 4.170 -0.012 0.000 0.264 158 I C 0.422 176.575 176.117 0.061 0.000 1.179 158 I CA 0.341 61.616 61.300 -0.041 0.000 1.480 158 I CB 0.235 38.110 38.000 -0.209 0.000 1.111 158 I HN 0.338 nan 8.210 nan 0.000 0.441 159 D N 2.618 122.955 120.400 -0.104 0.000 2.639 159 D HA 0.372 5.005 4.640 -0.012 0.000 0.233 159 D C -0.386 176.005 176.300 0.153 0.000 1.161 159 D CA -0.146 53.854 54.000 0.001 0.000 1.003 159 D CB -0.044 40.653 40.800 -0.173 0.000 1.034 159 D HN 0.288 nan 8.370 nan 0.000 0.514 160 L N 0.746 122.128 121.223 0.265 0.000 2.334 160 L HA 0.599 4.932 4.340 -0.012 0.000 0.275 160 L C 1.431 178.479 176.870 0.297 0.000 1.036 160 L CA -1.235 53.760 54.840 0.259 0.000 0.807 160 L CB 1.772 44.017 42.059 0.309 0.000 1.231 160 L HN 0.135 nan 8.230 nan 0.000 0.438 161 G N 1.049 109.955 108.800 0.177 0.000 2.606 161 G HA2 0.248 4.201 3.960 -0.012 0.000 0.252 161 G HA3 0.248 4.201 3.960 -0.012 0.000 0.252 161 G C -1.905 173.111 174.900 0.193 0.000 1.206 161 G CA -0.920 44.227 45.100 0.079 0.000 0.861 161 G HN 0.446 nan 8.290 nan 0.000 0.561 162 P HA -0.129 nan 4.420 nan 0.000 0.216 162 P C 1.281 178.701 177.300 0.201 0.000 1.153 162 P CA 1.245 64.499 63.100 0.257 0.000 0.858 162 P CB 0.228 32.001 31.700 0.121 0.000 0.789 163 D N -0.832 119.648 120.400 0.133 0.000 2.117 163 D HA -0.094 4.539 4.640 -0.012 0.000 0.197 163 D C 2.018 178.416 176.300 0.163 0.000 0.987 163 D CA 1.066 55.139 54.000 0.122 0.000 0.829 163 D CB -0.308 40.545 40.800 0.088 0.000 0.961 163 D HN 0.207 nan 8.370 nan 0.000 0.460 164 L N 0.545 121.887 121.223 0.198 0.000 2.179 164 L HA -0.086 4.247 4.340 -0.012 0.000 0.208 164 L C 2.545 179.609 176.870 0.323 0.000 1.096 164 L CA 0.204 55.215 54.840 0.285 0.000 0.779 164 L CB -0.078 42.138 42.059 0.263 0.000 0.922 164 L HN -0.108 nan 8.230 nan 0.000 0.443 165 V N 0.256 120.333 119.914 0.272 0.000 2.343 165 V HA -0.309 3.804 4.120 -0.012 0.000 0.247 165 V C 2.786 178.937 176.094 0.094 0.000 1.051 165 V CA 1.851 64.270 62.300 0.198 0.000 1.036 165 V CB -0.924 31.017 31.823 0.196 0.000 0.654 165 V HN 0.485 nan 8.190 nan 0.000 0.451 166 A N -0.139 122.746 122.820 0.109 0.000 1.883 166 A HA -0.245 4.068 4.320 -0.012 0.000 0.217 166 A C 2.403 180.007 177.584 0.033 0.000 1.186 166 A CA 1.942 54.014 52.037 0.058 0.000 0.624 166 A CB -0.526 18.518 19.000 0.073 0.000 0.822 166 A HN 0.489 nan 8.150 nan 0.000 0.444 167 R N -0.823 119.734 120.500 0.095 0.000 2.096 167 R HA -0.100 4.233 4.340 -0.012 0.000 0.235 167 R C 2.652 178.874 176.300 -0.130 0.000 1.127 167 R CA 1.394 57.558 56.100 0.107 0.000 0.968 167 R CB -0.395 30.100 30.300 0.325 0.000 0.861 167 R HN 0.572 nan 8.270 nan 0.000 0.440 168 S N 0.905 116.407 115.700 -0.331 0.000 2.368 168 S HA -0.101 4.362 4.470 -0.012 0.000 0.225 168 S C 1.960 176.274 174.600 -0.477 0.000 1.030 168 S CA 0.913 58.603 58.200 -0.849 0.000 0.999 168 S CB -0.143 62.739 63.200 -0.530 0.000 0.844 168 S HN 0.249 nan 8.310 nan 0.000 0.459 169 L N 0.791 121.859 121.223 -0.258 0.000 1.990 169 L HA -0.171 4.162 4.340 -0.012 0.000 0.213 169 L C 2.892 179.656 176.870 -0.177 0.000 1.072 169 L CA 1.648 56.367 54.840 -0.202 0.000 0.755 169 L CB -0.752 41.239 42.059 -0.115 0.000 0.889 169 L HN 0.482 nan 8.230 nan 0.000 0.432 170 A N -0.564 122.179 122.820 -0.128 0.000 1.898 170 A HA -0.198 4.115 4.320 -0.012 0.000 0.216 170 A C 2.020 179.546 177.584 -0.096 0.000 1.181 170 A CA 1.655 53.641 52.037 -0.084 0.000 0.620 170 A CB -0.321 18.658 19.000 -0.034 0.000 0.819 170 A HN 0.528 nan 8.150 nan 0.000 0.442 171 E N -1.030 119.091 120.200 -0.132 0.000 2.400 171 E HA 0.083 4.426 4.350 -0.012 0.000 0.195 171 E C 1.333 177.853 176.600 -0.133 0.000 1.012 171 E CA 0.697 57.046 56.400 -0.085 0.000 0.875 171 E CB 0.378 30.094 29.700 0.026 0.000 0.859 171 E HN 0.416 nan 8.360 nan 0.000 0.498 172 V N -0.945 118.808 119.914 -0.267 0.000 3.307 172 V HA 0.237 4.350 4.120 -0.012 0.000 0.244 172 V C 1.443 177.366 176.094 -0.285 0.000 1.196 172 V CA 0.728 62.862 62.300 -0.277 0.000 1.132 172 V CB 0.897 32.461 31.823 -0.432 0.000 0.875 172 V HN 0.388 nan 8.190 nan 0.000 0.468 173 G N 0.855 109.481 108.800 -0.290 0.000 2.176 173 G HA2 -0.230 3.723 3.960 -0.012 0.000 0.232 173 G HA3 -0.230 3.723 3.960 -0.012 0.000 0.232 173 G C -0.098 174.607 174.900 -0.324 0.000 0.986 173 G CA 0.329 45.274 45.100 -0.258 0.000 0.643 173 G HN 0.502 nan 8.290 nan 0.000 0.522 174 I N -0.110 120.177 120.570 -0.472 0.000 2.752 174 I HA 0.682 4.845 4.170 -0.012 0.000 0.295 174 I C -0.142 175.676 176.117 -0.497 0.000 1.219 174 I CA -0.364 60.615 61.300 -0.535 0.000 1.030 174 I CB 1.891 39.398 38.000 -0.821 0.000 1.259 174 I HN 0.343 nan 8.210 nan 0.000 0.423 175 G N 5.350 114.016 108.800 -0.224 0.000 2.571 175 G HA2 0.642 4.595 3.960 -0.012 0.000 0.304 175 G HA3 0.642 4.595 3.960 -0.012 0.000 0.304 175 G C -2.251 172.756 174.900 0.179 0.000 1.314 175 G CA -0.495 44.593 45.100 -0.022 0.000 0.975 175 G HN 0.488 nan 8.290 nan 0.000 0.485 176 F N 1.704 121.753 119.950 0.165 0.000 2.539 176 F HA 0.477 4.998 4.527 -0.010 0.000 0.328 176 F C -0.353 175.495 175.800 0.081 0.000 1.148 176 F CA -0.984 57.126 58.000 0.183 0.000 0.940 176 F CB 1.324 40.533 39.000 0.349 0.000 1.194 176 F HN 0.511 nan 8.300 nan 0.000 0.438 177 C N 7.009 125.882 119.300 -0.711 0.000 2.281 177 C HA 0.302 4.755 4.460 -0.012 0.000 0.336 177 C C -0.124 174.458 174.990 -0.680 0.000 1.217 177 C CA -0.778 57.689 59.018 -0.919 0.000 1.730 177 C CB -1.069 25.827 27.740 -1.407 0.000 2.338 177 C HN 0.665 nan 8.230 nan 0.000 0.521 178 F N 3.327 123.136 119.950 -0.235 0.000 2.504 178 F HA 0.432 4.952 4.527 -0.011 0.000 0.369 178 F C 1.166 177.052 175.800 0.142 0.000 1.082 178 F CA -0.457 57.550 58.000 0.011 0.000 1.216 178 F CB 0.693 39.853 39.000 0.266 0.000 1.108 178 F HN 0.747 nan 8.300 nan 0.000 0.554 179 A N 7.336 129.992 122.820 -0.272 0.000 1.883 179 A HA -0.070 4.243 4.320 -0.012 0.000 0.217 179 A C -0.596 176.906 177.584 -0.137 0.000 1.186 179 A CA 1.597 53.607 52.037 -0.044 0.000 0.624 179 A CB -1.981 17.040 19.000 0.035 0.000 0.822 179 A HN 0.692 nan 8.150 nan 0.000 0.444 180 P HA -0.153 nan 4.420 nan 0.000 0.219 180 P C 1.574 178.775 177.300 -0.165 0.000 1.146 180 P CA 1.435 64.347 63.100 -0.313 0.000 0.808 180 P CB -0.028 31.412 31.700 -0.432 0.000 0.779 181 R N -1.133 119.292 120.500 -0.126 0.000 2.090 181 R HA 0.017 4.350 4.340 -0.012 0.000 0.228 181 R C 1.512 177.585 176.300 -0.377 0.000 1.110 181 R CA 1.584 57.608 56.100 -0.128 0.000 0.973 181 R CB -1.088 29.279 30.300 0.111 0.000 0.869 181 R HN 0.130 nan 8.270 nan 0.000 0.440 182 F N -1.174 118.628 119.950 -0.246 0.000 2.720 182 F HA 0.280 4.800 4.527 -0.011 0.000 0.301 182 F C 0.147 175.787 175.800 -0.266 0.000 1.103 182 F CA -0.083 57.743 58.000 -0.291 0.000 1.291 182 F CB 0.441 39.217 39.000 -0.374 0.000 1.086 182 F HN -0.032 nan 8.300 nan 0.000 0.592 183 H N 1.425 120.611 119.070 0.193 0.000 2.762 183 H HA 0.285 4.833 4.556 -0.013 0.000 0.310 183 H C -2.349 173.040 175.328 0.101 0.000 1.004 183 H CA -2.216 53.929 56.048 0.161 0.000 1.267 183 H CB 0.759 30.599 29.762 0.130 0.000 1.437 183 H HN -0.107 nan 8.280 nan 0.000 0.498 184 P HA 0.003 nan 4.420 nan 0.000 0.271 184 P C 0.629 177.988 177.300 0.097 0.000 1.218 184 P CA -0.100 63.082 63.100 0.136 0.000 0.780 184 P CB 1.304 33.085 31.700 0.135 0.000 0.901 185 S N 1.385 117.099 115.700 0.022 0.000 2.641 185 S HA 0.431 4.894 4.470 -0.012 0.000 0.261 185 S C -0.611 173.976 174.600 -0.022 0.000 1.257 185 S CA -0.392 57.768 58.200 -0.066 0.000 0.983 185 S CB -0.156 62.949 63.200 -0.158 0.000 0.990 185 S HN 0.431 nan 8.310 nan 0.000 0.572 186 Y N -0.586 119.693 120.300 -0.034 0.000 2.570 186 Y HA 0.629 5.171 4.550 -0.013 0.000 0.345 186 Y C 0.014 175.874 175.900 -0.066 0.000 1.014 186 Y CA -1.458 56.604 58.100 -0.064 0.000 1.063 186 Y CB 0.441 38.862 38.460 -0.064 0.000 1.272 186 Y HN 0.619 nan 8.280 nan 0.000 0.477 187 R N 1.422 121.942 120.500 0.033 0.000 2.538 187 R HA 0.015 4.348 4.340 -0.012 0.000 0.282 187 R C -0.509 175.720 176.300 -0.118 0.000 1.009 187 R CA 1.377 57.368 56.100 -0.182 0.000 1.063 187 R CB -0.485 29.625 30.300 -0.316 0.000 0.945 187 R HN 1.131 nan 8.270 nan 0.000 0.414 188 H N 0.314 119.396 119.070 0.019 0.000 3.642 188 H HA -0.250 4.300 4.556 -0.011 0.000 0.185 188 H C 1.220 176.539 175.328 -0.014 0.000 0.992 188 H CA 0.695 56.758 56.048 0.025 0.000 1.216 188 H CB -1.316 28.491 29.762 0.075 0.000 1.055 188 H HN 0.770 nan 8.280 nan 0.000 0.351 189 A N 1.082 123.811 122.820 -0.152 0.000 1.892 189 A HA -0.095 4.218 4.320 -0.012 0.000 0.218 189 A C 2.570 180.066 177.584 -0.147 0.000 1.188 189 A CA 2.667 54.438 52.037 -0.444 0.000 0.631 189 A CB -1.019 17.353 19.000 -1.046 0.000 0.822 189 A HN 0.684 nan 8.150 nan 0.000 0.447 190 A N -0.413 122.344 122.820 -0.105 0.000 1.877 190 A HA 0.181 4.494 4.320 -0.012 0.000 0.216 190 A C 2.543 180.126 177.584 -0.003 0.000 1.186 190 A CA 2.205 54.214 52.037 -0.047 0.000 0.620 190 A CB -1.090 17.887 19.000 -0.038 0.000 0.822 190 A HN 1.122 nan 8.150 nan 0.000 0.443 191 A N -0.595 122.240 122.820 0.024 0.000 1.902 191 A HA 0.008 4.321 4.320 -0.012 0.000 0.217 191 A C 2.247 179.851 177.584 0.032 0.000 1.181 191 A CA 1.812 53.869 52.037 0.033 0.000 0.623 191 A CB -0.966 18.066 19.000 0.053 0.000 0.818 191 A HN 0.381 nan 8.150 nan 0.000 0.443 192 V N 0.097 120.047 119.914 0.059 0.000 2.295 192 V HA -0.271 3.842 4.120 -0.012 0.000 0.246 192 V C 2.646 178.768 176.094 0.045 0.000 1.049 192 V CA 2.318 64.657 62.300 0.065 0.000 1.024 192 V CB -0.838 31.073 31.823 0.147 0.000 0.648 192 V HN 0.680 nan 8.190 nan 0.000 0.447 193 R N 0.192 120.720 120.500 0.047 0.000 2.096 193 R HA -0.257 4.076 4.340 -0.012 0.000 0.240 193 R C 2.522 178.833 176.300 0.018 0.000 1.139 193 R CA 2.367 58.486 56.100 0.033 0.000 0.952 193 R CB -0.347 29.966 30.300 0.021 0.000 0.854 193 R HN 0.458 nan 8.270 nan 0.000 0.436 194 R N 0.346 120.854 120.500 0.013 0.000 2.096 194 R HA -0.143 4.190 4.340 -0.012 0.000 0.235 194 R C 1.740 178.043 176.300 0.005 0.000 1.127 194 R CA 2.073 58.178 56.100 0.009 0.000 0.968 194 R CB -0.014 30.290 30.300 0.007 0.000 0.861 194 R HN 0.398 nan 8.270 nan 0.000 0.440 195 E N -0.308 119.894 120.200 0.004 0.000 2.122 195 E HA -0.070 4.273 4.350 -0.012 0.000 0.190 195 E C 1.801 178.397 176.600 -0.007 0.000 0.977 195 E CA 0.608 57.006 56.400 -0.003 0.000 0.820 195 E CB 0.220 29.915 29.700 -0.008 0.000 0.770 195 E HN 0.291 nan 8.360 nan 0.000 0.462 196 I N -0.287 120.279 120.570 -0.007 0.000 2.494 196 I HA 0.038 4.201 4.170 -0.012 0.000 0.250 196 I C 1.767 177.877 176.117 -0.011 0.000 1.112 196 I CA 1.164 62.454 61.300 -0.016 0.000 1.438 196 I CB -1.165 36.819 38.000 -0.027 0.000 1.111 196 I HN 0.233 nan 8.210 nan 0.000 0.431 197 G N 2.010 110.808 108.800 -0.002 0.000 2.203 197 G HA2 -0.187 3.766 3.960 -0.012 0.000 0.263 197 G HA3 -0.187 3.766 3.960 -0.012 0.000 0.263 197 G C 0.354 175.257 174.900 0.005 0.000 1.012 197 G CA 0.651 45.753 45.100 0.004 0.000 0.749 197 G HN 0.518 nan 8.290 nan 0.000 0.512 198 V N -3.733 116.180 119.914 -0.002 0.000 3.007 198 V HA 0.928 5.041 4.120 -0.012 0.000 0.311 198 V C -1.983 174.108 176.094 -0.004 0.000 1.120 198 V CA -2.260 60.040 62.300 -0.000 0.000 0.980 198 V CB 1.971 33.787 31.823 -0.011 0.000 1.033 198 V HN 0.156 nan 8.190 nan 0.000 0.429 199 P HA 0.379 nan 4.420 nan 0.000 0.272 199 P C -0.184 177.090 177.300 -0.045 0.000 1.223 199 P CA 0.342 63.448 63.100 0.010 0.000 0.784 199 P CB 0.889 32.617 31.700 0.047 0.000 0.923 200 T N -3.043 111.471 114.554 -0.068 0.000 2.883 200 T HA 0.187 4.530 4.350 -0.012 0.000 0.284 200 T C 0.928 175.564 174.700 -0.108 0.000 1.041 200 T CA -0.593 61.409 62.100 -0.163 0.000 1.007 200 T CB 0.905 69.569 68.868 -0.339 0.000 1.220 200 T HN 0.089 nan 8.240 nan 0.000 0.552 201 V N 0.331 120.155 119.914 -0.150 0.000 2.688 201 V HA -0.048 4.065 4.120 -0.012 0.000 0.256 201 V C 1.943 178.133 176.094 0.160 0.000 1.084 201 V CA 1.676 63.950 62.300 -0.043 0.000 1.103 201 V CB -1.425 30.350 31.823 -0.080 0.000 0.688 201 V HN 0.780 nan 8.190 nan 0.000 0.480 202 F N 1.011 120.938 119.950 -0.038 0.000 2.250 202 F HA -0.097 4.425 4.527 -0.008 0.000 0.301 202 F C 2.154 177.957 175.800 0.006 0.000 1.077 202 F CA 1.160 59.160 58.000 0.000 0.000 1.348 202 F CB -1.099 37.927 39.000 0.043 0.000 1.040 202 F HN 0.401 nan 8.300 nan 0.000 0.509 203 N N -0.255 118.558 118.700 0.189 0.000 2.280 203 N HA 0.094 4.827 4.740 -0.012 0.000 0.192 203 N C 1.543 177.103 175.510 0.084 0.000 1.109 203 N CA 0.247 53.364 53.050 0.113 0.000 0.855 203 N CB 0.550 39.094 38.487 0.094 0.000 0.974 203 N HN 0.317 nan 8.380 nan 0.000 0.482 204 L N 0.086 121.357 121.223 0.080 0.000 2.664 204 L HA 0.278 4.611 4.340 -0.012 0.000 0.233 204 L C 1.244 178.153 176.870 0.065 0.000 1.113 204 L CA 0.200 55.087 54.840 0.078 0.000 0.896 204 L CB 0.344 42.428 42.059 0.042 0.000 1.163 204 L HN -0.002 nan 8.230 nan 0.000 0.497 205 L N -0.576 120.676 121.223 0.049 0.000 2.700 205 L HA 0.219 4.552 4.340 -0.012 0.000 0.234 205 L C 2.217 179.117 176.870 0.050 0.000 1.156 205 L CA 0.089 54.945 54.840 0.027 0.000 0.946 205 L CB -0.221 41.840 42.059 0.004 0.000 1.216 205 L HN 0.209 nan 8.230 nan 0.000 0.493 206 G N 2.044 110.887 108.800 0.071 0.000 2.513 206 G HA2 -0.233 3.720 3.960 -0.012 0.000 0.219 206 G HA3 -0.233 3.720 3.960 -0.012 0.000 0.219 206 G C -0.643 174.427 174.900 0.283 0.000 1.160 206 G CA 0.810 45.992 45.100 0.138 0.000 0.767 206 G HN 0.310 nan 8.290 nan 0.000 0.571 207 P HA -0.053 nan 4.420 nan 0.000 0.218 207 P C 1.618 179.094 177.300 0.293 0.000 1.146 207 P CA 0.859 64.156 63.100 0.328 0.000 0.813 207 P CB -0.090 31.825 31.700 0.359 0.000 0.778 208 L N -1.932 119.328 121.223 0.061 0.000 2.607 208 L HA 0.119 4.452 4.340 -0.012 0.000 0.228 208 L C 1.281 178.136 176.870 -0.026 0.000 1.123 208 L CA 0.904 55.672 54.840 -0.120 0.000 0.890 208 L CB -0.591 41.312 42.059 -0.260 0.000 1.103 208 L HN 0.073 nan 8.230 nan 0.000 0.468 209 T N -5.039 109.546 114.554 0.052 0.000 3.200 209 T HA 0.101 4.444 4.350 -0.012 0.000 0.284 209 T C 0.628 175.284 174.700 -0.074 0.000 1.009 209 T CA -0.499 61.629 62.100 0.047 0.000 0.907 209 T CB -0.290 68.615 68.868 0.061 0.000 1.120 209 T HN 0.008 nan 8.240 nan 0.000 0.534 210 N N 3.529 122.083 118.700 -0.244 0.000 2.434 210 N HA 0.085 4.818 4.740 -0.012 0.000 0.268 210 N C -1.609 173.710 175.510 -0.318 0.000 1.256 210 N CA -1.532 51.142 53.050 -0.627 0.000 0.914 210 N CB 1.575 39.930 38.487 -0.220 0.000 1.088 210 N HN 0.098 nan 8.380 nan 0.000 0.478 211 P HA -0.041 nan 4.420 nan 0.000 0.222 211 P C 0.441 177.688 177.300 -0.089 0.000 1.147 211 P CA 0.845 63.858 63.100 -0.145 0.000 0.790 211 P CB 0.152 31.788 31.700 -0.107 0.000 0.780 212 A N -0.275 122.465 122.820 -0.134 0.000 2.251 212 A HA 0.045 4.358 4.320 -0.012 0.000 0.209 212 A C 0.887 178.448 177.584 -0.038 0.000 1.187 212 A CA -0.134 51.861 52.037 -0.070 0.000 0.823 212 A CB -0.802 18.145 19.000 -0.089 0.000 0.846 212 A HN 0.028 nan 8.150 nan 0.000 0.486 213 R N -1.261 119.216 120.500 -0.038 0.000 3.416 213 R HA -0.123 4.210 4.340 -0.012 0.000 0.263 213 R C -2.278 174.034 176.300 0.019 0.000 1.053 213 R CA 0.559 56.660 56.100 0.002 0.000 0.705 213 R CB -2.180 28.123 30.300 0.005 0.000 1.124 213 R HN 0.480 nan 8.270 nan 0.000 0.444 214 P HA -0.033 nan 4.420 nan 0.000 0.269 214 P C 0.030 177.352 177.300 0.036 0.000 1.209 214 P CA 0.207 63.318 63.100 0.018 0.000 0.776 214 P CB 0.529 32.235 31.700 0.011 0.000 0.876 215 R N 0.793 121.305 120.500 0.019 0.000 2.317 215 R HA 0.380 4.713 4.340 -0.012 0.000 0.208 215 R C 0.648 176.939 176.300 -0.015 0.000 0.914 215 R CA 0.128 56.241 56.100 0.021 0.000 1.060 215 R CB 0.363 30.669 30.300 0.009 0.000 1.015 215 R HN 0.556 nan 8.270 nan 0.000 0.498 216 A N -0.239 122.560 122.820 -0.035 0.000 2.566 216 A HA 0.850 5.163 4.320 -0.012 0.000 0.292 216 A C -0.712 176.813 177.584 -0.099 0.000 1.112 216 A CA -0.499 51.492 52.037 -0.077 0.000 0.707 216 A CB 2.033 21.005 19.000 -0.046 0.000 1.302 216 A HN 0.183 nan 8.150 nan 0.000 0.409 217 G N -0.736 107.979 108.800 -0.141 0.000 2.387 217 G HA2 0.536 4.489 3.960 -0.012 0.000 0.294 217 G HA3 0.536 4.489 3.960 -0.012 0.000 0.294 217 G C -2.098 172.725 174.900 -0.129 0.000 1.509 217 G CA -0.529 44.496 45.100 -0.126 0.000 0.806 217 G HN 1.280 nan 8.290 nan 0.000 0.546 218 L N 1.663 122.840 121.223 -0.076 0.000 2.280 218 L HA 0.670 5.003 4.340 -0.012 0.000 0.287 218 L C -0.934 175.931 176.870 -0.008 0.000 1.023 218 L CA -0.817 53.996 54.840 -0.045 0.000 0.819 218 L CB 0.871 42.909 42.059 -0.036 0.000 1.212 218 L HN 0.395 nan 8.230 nan 0.000 0.420 219 I N 5.304 125.879 120.570 0.009 0.000 2.420 219 I HA 0.367 4.530 4.170 -0.012 0.000 0.282 219 I C 0.705 176.890 176.117 0.113 0.000 1.019 219 I CA -0.428 60.912 61.300 0.066 0.000 1.130 219 I CB 1.193 39.240 38.000 0.078 0.000 1.262 219 I HN 0.605 nan 8.210 nan 0.000 0.454 220 G N 4.565 113.433 108.800 0.112 0.000 2.356 220 G HA2 0.466 4.419 3.960 -0.012 0.000 0.298 220 G HA3 0.466 4.419 3.960 -0.012 0.000 0.298 220 G C -0.893 174.090 174.900 0.139 0.000 1.145 220 G CA -0.267 44.910 45.100 0.130 0.000 0.850 220 G HN 0.656 nan 8.290 nan 0.000 0.487 221 C N 2.210 121.616 119.300 0.176 0.000 2.535 221 C HA 0.675 5.128 4.460 -0.012 0.000 0.319 221 C C 1.315 176.420 174.990 0.191 0.000 1.171 221 C CA 0.097 59.209 59.018 0.156 0.000 1.394 221 C CB 1.031 28.842 27.740 0.118 0.000 1.990 221 C HN 0.986 nan 8.230 nan 0.000 0.466 222 A N 3.502 126.332 122.820 0.016 0.000 2.169 222 A HA 0.317 4.630 4.320 -0.012 0.000 0.212 222 A C 0.134 177.504 177.584 -0.356 0.000 1.153 222 A CA 0.715 52.654 52.037 -0.163 0.000 0.756 222 A CB -0.181 18.532 19.000 -0.479 0.000 0.813 222 A HN 0.718 nan 8.150 nan 0.000 0.471 223 F N -1.100 118.845 119.950 -0.007 0.000 2.403 223 F HA 0.557 5.078 4.527 -0.011 0.000 0.355 223 F C 1.238 176.881 175.800 -0.262 0.000 1.119 223 F CA -0.481 57.451 58.000 -0.113 0.000 1.007 223 F CB 1.282 40.243 39.000 -0.064 0.000 1.194 223 F HN 0.079 nan 8.300 nan 0.000 0.443 224 A N 1.906 124.541 122.820 -0.308 0.000 1.940 224 A HA -0.213 4.100 4.320 -0.012 0.000 0.219 224 A C 2.046 179.552 177.584 -0.130 0.000 1.176 224 A CA 2.089 53.971 52.037 -0.259 0.000 0.631 224 A CB -0.550 18.368 19.000 -0.136 0.000 0.814 224 A HN 0.756 nan 8.150 nan 0.000 0.446 225 D N 0.128 120.501 120.400 -0.045 0.000 2.117 225 D HA -0.165 4.468 4.640 -0.012 0.000 0.197 225 D C 1.714 177.938 176.300 -0.128 0.000 0.987 225 D CA 1.404 55.370 54.000 -0.056 0.000 0.829 225 D CB -0.833 39.954 40.800 -0.021 0.000 0.961 225 D HN 0.356 nan 8.370 nan 0.000 0.460 226 L N 0.650 121.816 121.223 -0.095 0.000 2.109 226 L HA 0.195 4.528 4.340 -0.012 0.000 0.207 226 L C 2.348 179.099 176.870 -0.198 0.000 1.086 226 L CA 1.575 56.349 54.840 -0.111 0.000 0.760 226 L CB -1.005 41.030 42.059 -0.039 0.000 0.910 226 L HN 0.092 nan 8.230 nan 0.000 0.437 227 A N -0.436 122.210 122.820 -0.291 0.000 1.892 227 A HA -0.326 3.987 4.320 -0.012 0.000 0.218 227 A C 2.339 179.372 177.584 -0.919 0.000 1.188 227 A CA 2.104 53.817 52.037 -0.540 0.000 0.631 227 A CB -0.836 17.752 19.000 -0.687 0.000 0.822 227 A HN 0.623 nan 8.150 nan 0.000 0.447 228 E N -0.597 118.932 120.200 -1.117 0.000 2.110 228 E HA -0.118 4.225 4.350 -0.012 0.000 0.193 228 E C 1.848 178.191 176.600 -0.427 0.000 0.988 228 E CA 1.280 57.058 56.400 -1.038 0.000 0.804 228 E CB -0.137 29.318 29.700 -0.409 0.000 0.745 228 E HN 0.292 nan 8.360 nan 0.000 0.458 229 V N 0.917 120.662 119.914 -0.282 0.000 2.307 229 V HA -0.280 3.833 4.120 -0.012 0.000 0.245 229 V C 2.390 178.397 176.094 -0.145 0.000 1.045 229 V CA 1.951 64.155 62.300 -0.159 0.000 1.024 229 V CB -0.359 31.390 31.823 -0.123 0.000 0.651 229 V HN 0.417 nan 8.190 nan 0.000 0.449 230 M N -0.455 119.050 119.600 -0.159 0.000 2.213 230 M HA -0.149 4.324 4.480 -0.012 0.000 0.263 230 M C 2.362 178.673 176.300 0.018 0.000 1.062 230 M CA 1.898 57.127 55.300 -0.119 0.000 1.105 230 M CB -0.630 31.942 32.600 -0.048 0.000 1.385 230 M HN 0.416 nan 8.290 nan 0.000 0.417 231 A N 0.811 123.644 122.820 0.021 0.000 1.908 231 A HA -0.098 4.215 4.320 -0.012 0.000 0.218 231 A C 2.363 180.030 177.584 0.138 0.000 1.181 231 A CA 2.049 54.180 52.037 0.156 0.000 0.627 231 A CB -1.513 17.521 19.000 0.057 0.000 0.818 231 A HN 0.550 nan 8.150 nan 0.000 0.445 232 G N -0.747 108.073 108.800 0.034 0.000 2.422 232 G HA2 -0.077 3.876 3.960 -0.012 0.000 0.218 232 G HA3 -0.077 3.876 3.960 -0.012 0.000 0.218 232 G C 1.495 176.406 174.900 0.018 0.000 1.146 232 G CA 1.218 46.338 45.100 0.032 0.000 0.769 232 G HN 0.332 nan 8.290 nan 0.000 0.547 233 V N 0.334 120.220 119.914 -0.045 0.000 2.307 233 V HA -0.087 4.027 4.120 -0.012 0.000 0.245 233 V C 2.477 178.529 176.094 -0.069 0.000 1.045 233 V CA 1.412 63.645 62.300 -0.112 0.000 1.024 233 V CB -0.670 31.010 31.823 -0.239 0.000 0.651 233 V HN 0.267 nan 8.190 nan 0.000 0.449 234 F N 1.029 120.980 119.950 0.001 0.000 2.126 234 F HA -0.169 4.352 4.527 -0.011 0.000 0.299 234 F C 2.458 178.268 175.800 0.016 0.000 1.096 234 F CA 1.298 59.305 58.000 0.012 0.000 1.255 234 F CB -1.159 37.854 39.000 0.021 0.000 0.997 234 F HN 0.091 nan 8.300 nan 0.000 0.479 235 A N -0.071 122.881 122.820 0.220 0.000 1.908 235 A HA -0.136 4.177 4.320 -0.012 0.000 0.218 235 A C 2.402 180.039 177.584 0.088 0.000 1.181 235 A CA 2.011 54.128 52.037 0.132 0.000 0.627 235 A CB -1.337 17.727 19.000 0.107 0.000 0.818 235 A HN 0.310 nan 8.150 nan 0.000 0.445 236 A N -0.793 122.065 122.820 0.065 0.000 2.066 236 A HA -0.046 4.267 4.320 -0.012 0.000 0.218 236 A C 2.087 179.694 177.584 0.039 0.000 1.157 236 A CA 1.059 53.118 52.037 0.037 0.000 0.670 236 A CB -0.362 18.647 19.000 0.015 0.000 0.804 236 A HN 0.531 nan 8.150 nan 0.000 0.453 237 R N -1.781 118.756 120.500 0.060 0.000 2.323 237 R HA 0.129 4.462 4.340 -0.012 0.000 0.198 237 R C 1.236 177.581 176.300 0.074 0.000 0.988 237 R CA 0.725 56.865 56.100 0.067 0.000 1.041 237 R CB -0.329 30.031 30.300 0.100 0.000 0.926 237 R HN 0.506 nan 8.270 nan 0.000 0.476 238 R N 0.348 120.892 120.500 0.073 0.000 3.770 238 R HA -0.171 4.162 4.340 -0.012 0.000 0.305 238 R C 0.066 176.402 176.300 0.061 0.000 1.184 238 R CA 1.249 57.383 56.100 0.057 0.000 0.823 238 R CB -3.387 26.934 30.300 0.035 0.000 1.285 238 R HN 0.228 nan 8.270 nan 0.000 0.499 239 S N -0.249 115.511 115.700 0.100 0.000 2.603 239 S HA 0.576 5.039 4.470 -0.012 0.000 0.268 239 S C 0.586 175.195 174.600 0.015 0.000 1.317 239 S CA 0.324 58.567 58.200 0.071 0.000 1.012 239 S CB 1.695 64.983 63.200 0.148 0.000 0.926 239 S HN 1.055 nan 8.310 nan 0.000 0.539 240 S N 1.978 117.658 115.700 -0.034 0.000 2.532 240 S HA 0.561 5.024 4.470 -0.012 0.000 0.318 240 S C -0.641 173.899 174.600 -0.099 0.000 1.083 240 S CA -0.706 57.467 58.200 -0.044 0.000 1.131 240 S CB -0.741 62.433 63.200 -0.043 0.000 0.973 240 S HN 0.640 nan 8.310 nan 0.000 0.468 241 V N 3.434 123.277 119.914 -0.118 0.000 2.925 241 V HA 0.659 4.772 4.120 -0.012 0.000 0.311 241 V C -0.983 175.073 176.094 -0.065 0.000 1.104 241 V CA -1.117 61.062 62.300 -0.201 0.000 0.954 241 V CB 1.847 33.329 31.823 -0.568 0.000 1.022 241 V HN 0.656 nan 8.190 nan 0.000 0.427 242 L N 3.932 125.134 121.223 -0.034 0.000 2.277 242 L HA 0.547 4.880 4.340 -0.012 0.000 0.284 242 L C -0.421 176.501 176.870 0.086 0.000 1.028 242 L CA -0.692 54.197 54.840 0.081 0.000 0.835 242 L CB 1.516 43.640 42.059 0.109 0.000 1.215 242 L HN 0.553 nan 8.230 nan 0.000 0.425 243 V N 4.418 124.441 119.914 0.183 0.000 2.498 243 V HA 0.360 4.473 4.120 -0.012 0.000 0.279 243 V C 0.304 176.658 176.094 0.433 0.000 1.048 243 V CA -0.509 61.944 62.300 0.255 0.000 0.967 243 V CB 1.632 33.601 31.823 0.244 0.000 0.988 243 V HN 0.560 nan 8.190 nan 0.000 0.473 244 V N 2.138 122.264 119.914 0.354 0.000 2.876 244 V HA 0.821 4.934 4.120 -0.012 0.000 0.312 244 V C -1.032 175.316 176.094 0.423 0.000 1.085 244 V CA -0.736 61.776 62.300 0.353 0.000 0.945 244 V CB 1.992 33.916 31.823 0.169 0.000 1.017 244 V HN 0.988 nan 8.190 nan 0.000 0.428 245 H N 1.888 121.139 119.070 0.303 0.000 3.149 245 H HA 0.675 5.224 4.556 -0.011 0.000 0.334 245 H C 0.082 175.497 175.328 0.145 0.000 1.000 245 H CA 0.474 56.670 56.048 0.245 0.000 1.415 245 H CB 1.403 31.406 29.762 0.401 0.000 1.819 245 H HN 1.288 nan 8.280 nan 0.000 0.486 246 G N 2.559 111.152 108.800 -0.345 0.000 2.398 246 G HA2 0.007 3.960 3.960 -0.012 0.000 0.246 246 G HA3 0.007 3.960 3.960 -0.012 0.000 0.246 246 G C 0.295 174.978 174.900 -0.362 0.000 1.289 246 G CA -0.311 44.634 45.100 -0.258 0.000 0.869 246 G HN 0.833 nan 8.290 nan 0.000 0.543 247 D N 0.894 121.217 120.400 -0.127 0.000 2.378 247 D HA -0.071 4.562 4.640 -0.012 0.000 0.227 247 D C 1.382 177.656 176.300 -0.043 0.000 1.012 247 D CA 0.750 54.724 54.000 -0.044 0.000 0.905 247 D CB 0.391 41.196 40.800 0.008 0.000 0.895 247 D HN 0.624 nan 8.370 nan 0.000 0.532 248 D N -1.082 119.268 120.400 -0.084 0.000 2.328 248 D HA 0.119 4.752 4.640 -0.012 0.000 0.221 248 D C 1.552 177.807 176.300 -0.075 0.000 1.072 248 D CA 0.427 54.394 54.000 -0.055 0.000 0.850 248 D CB 0.139 40.913 40.800 -0.044 0.000 0.922 248 D HN 0.154 nan 8.370 nan 0.000 0.516 249 G N 0.134 108.835 108.800 -0.165 0.000 2.194 249 G HA2 -0.242 3.711 3.960 -0.012 0.000 0.236 249 G HA3 -0.242 3.711 3.960 -0.012 0.000 0.236 249 G C 0.121 174.913 174.900 -0.179 0.000 0.987 249 G CA 0.019 45.047 45.100 -0.120 0.000 0.635 249 G HN 0.374 nan 8.290 nan 0.000 0.520 250 L N 1.888 122.986 121.223 -0.208 0.000 2.483 250 L HA 0.250 4.583 4.340 -0.012 0.000 0.276 250 L C 0.907 177.723 176.870 -0.090 0.000 1.213 250 L CA 0.530 55.300 54.840 -0.116 0.000 0.843 250 L CB 0.497 42.509 42.059 -0.078 0.000 1.107 250 L HN 0.416 nan 8.230 nan 0.000 0.487 251 D N 1.758 122.153 120.400 -0.009 0.000 2.881 251 D HA 0.136 4.769 4.640 -0.012 0.000 0.240 251 D C -0.109 176.225 176.300 0.057 0.000 1.249 251 D CA -0.091 53.943 54.000 0.057 0.000 0.839 251 D CB 0.242 41.071 40.800 0.047 0.000 1.042 251 D HN 0.326 nan 8.370 nan 0.000 0.475 252 E N -0.437 119.783 120.200 0.034 0.000 2.447 252 E HA 0.302 4.645 4.350 -0.012 0.000 0.279 252 E C -0.300 176.315 176.600 0.024 0.000 1.053 252 E CA -0.912 55.510 56.400 0.037 0.000 0.840 252 E CB 1.229 30.943 29.700 0.023 0.000 1.409 252 E HN 0.049 nan 8.360 nan 0.000 0.461 253 L N 1.254 122.491 121.223 0.023 0.000 2.462 253 L HA 0.149 4.482 4.340 -0.012 0.000 0.272 253 L C 0.951 177.824 176.870 0.004 0.000 1.166 253 L CA 0.489 55.336 54.840 0.011 0.000 0.880 253 L CB 0.337 42.386 42.059 -0.017 0.000 1.142 253 L HN 0.378 nan 8.230 nan 0.000 0.473 254 T N 0.203 114.762 114.554 0.008 0.000 2.927 254 T HA 0.327 4.670 4.350 -0.012 0.000 0.281 254 T C 0.919 175.609 174.700 -0.015 0.000 0.998 254 T CA -0.179 61.915 62.100 -0.011 0.000 1.019 254 T CB 1.245 70.097 68.868 -0.027 0.000 1.061 254 T HN 0.759 nan 8.240 nan 0.000 0.518 255 T N -0.658 113.886 114.554 -0.016 0.000 3.054 255 T HA 0.182 4.525 4.350 -0.012 0.000 0.255 255 T C 1.503 176.210 174.700 0.012 0.000 1.035 255 T CA -0.063 62.033 62.100 -0.007 0.000 0.941 255 T CB -0.047 68.838 68.868 0.029 0.000 1.026 255 T HN 0.515 nan 8.240 nan 0.000 0.533 256 T N 1.389 115.943 114.554 0.001 0.000 3.051 256 T HA 0.271 4.614 4.350 -0.012 0.000 0.255 256 T C 0.627 175.324 174.700 -0.005 0.000 1.085 256 T CA 1.044 63.145 62.100 0.001 0.000 1.109 256 T CB 0.144 69.008 68.868 -0.006 0.000 0.921 256 T HN 0.592 nan 8.240 nan 0.000 0.488 257 T N -0.060 114.487 114.554 -0.011 0.000 2.674 257 T HA 0.317 4.660 4.350 -0.012 0.000 0.298 257 T C -1.110 173.580 174.700 -0.017 0.000 1.775 257 T CA -0.214 61.876 62.100 -0.017 0.000 0.960 257 T CB 0.505 69.363 68.868 -0.015 0.000 1.976 257 T HN 0.170 nan 8.240 nan 0.000 0.459 258 T N 0.613 115.157 114.554 -0.017 0.000 2.766 258 T HA 0.680 5.023 4.350 -0.012 0.000 0.295 258 T C -0.020 174.701 174.700 0.035 0.000 1.024 258 T CA -0.400 61.699 62.100 -0.001 0.000 1.018 258 T CB 0.714 69.573 68.868 -0.015 0.000 1.002 258 T HN 0.560 nan 8.240 nan 0.000 0.532 259 S N -0.250 115.509 115.700 0.097 0.000 2.570 259 S HA 0.590 5.053 4.470 -0.012 0.000 0.286 259 S C -0.433 174.202 174.600 0.059 0.000 1.099 259 S CA -0.897 57.353 58.200 0.085 0.000 0.913 259 S CB 1.970 65.245 63.200 0.126 0.000 1.085 259 S HN 0.865 nan 8.310 nan 0.000 0.480 260 T N 2.440 116.994 114.554 -0.000 0.000 2.806 260 T HA 0.547 4.890 4.350 -0.012 0.000 0.290 260 T C -0.279 174.301 174.700 -0.200 0.000 0.966 260 T CA -0.206 61.765 62.100 -0.214 0.000 1.060 260 T CB 0.053 68.652 68.868 -0.449 0.000 0.927 260 T HN 0.381 nan 8.240 nan 0.000 0.485 261 I N 2.467 122.893 120.570 -0.241 0.000 2.406 261 I HA 0.325 4.488 4.170 -0.012 0.000 0.290 261 I C -0.414 175.589 176.117 -0.190 0.000 0.999 261 I CA -0.839 60.427 61.300 -0.057 0.000 1.124 261 I CB 1.646 39.703 38.000 0.096 0.000 1.289 261 I HN 0.484 nan 8.210 nan 0.000 0.441 262 W N 6.556 127.903 121.300 0.078 0.000 2.317 262 W HA 0.358 5.012 4.660 -0.010 0.000 0.327 262 W C 0.349 176.895 176.519 0.046 0.000 1.036 262 W CA -0.659 56.720 57.345 0.056 0.000 1.419 262 W CB 0.874 30.378 29.460 0.074 0.000 1.253 262 W HN 0.389 nan 8.180 nan 0.000 0.392 263 R N 2.863 123.447 120.500 0.139 0.000 2.210 263 R HA 0.371 4.704 4.340 -0.012 0.000 0.338 263 R C -0.896 175.457 176.300 0.089 0.000 1.062 263 R CA -0.129 56.025 56.100 0.090 0.000 0.902 263 R CB 0.607 30.863 30.300 -0.072 0.000 1.050 263 R HN 0.175 nan 8.270 nan 0.000 0.461 264 V N 3.908 123.882 119.914 0.100 0.000 2.370 264 V HA 0.749 4.862 4.120 -0.012 0.000 0.279 264 V C -0.159 175.969 176.094 0.057 0.000 1.029 264 V CA -0.439 61.914 62.300 0.089 0.000 0.870 264 V CB 1.151 33.036 31.823 0.103 0.000 0.984 264 V HN 0.949 nan 8.190 nan 0.000 0.451 265 A N 3.855 126.706 122.820 0.051 0.000 2.605 265 A HA 0.801 5.114 4.320 -0.012 0.000 0.294 265 A C 0.311 177.916 177.584 0.035 0.000 1.062 265 A CA -0.177 51.882 52.037 0.038 0.000 0.682 265 A CB 1.161 20.182 19.000 0.035 0.000 1.278 265 A HN 2.298 nan 8.150 nan 0.000 0.410 266 A N -0.036 122.801 122.820 0.028 0.000 2.704 266 A HA 0.294 4.607 4.320 -0.012 0.000 0.299 266 A C 2.099 179.702 177.584 0.030 0.000 1.507 266 A CA 2.321 54.373 52.037 0.025 0.000 0.776 266 A CB -1.768 17.244 19.000 0.020 0.000 1.027 266 A HN 3.179 nan 8.150 nan 0.000 0.475 267 G N -2.488 106.336 108.800 0.041 0.000 2.179 267 G HA2 0.055 4.008 3.960 -0.012 0.000 0.260 267 G HA3 0.055 4.008 3.960 -0.012 0.000 0.260 267 G C 0.588 175.517 174.900 0.048 0.000 0.977 267 G CA 1.405 46.531 45.100 0.044 0.000 0.641 267 G HN 2.714 nan 8.290 nan 0.000 0.533 268 S N -1.476 114.254 115.700 0.049 0.000 2.638 268 S HA 0.828 5.291 4.470 -0.012 0.000 0.302 268 S C -0.565 174.076 174.600 0.069 0.000 1.096 268 S CA -0.432 57.799 58.200 0.052 0.000 0.953 268 S CB 3.058 66.279 63.200 0.035 0.000 1.107 268 S HN 1.006 nan 8.310 nan 0.000 0.503 269 V N 1.952 121.915 119.914 0.082 0.000 2.417 269 V HA 0.476 4.589 4.120 -0.012 0.000 0.291 269 V C -0.897 175.245 176.094 0.081 0.000 1.024 269 V CA -0.500 61.873 62.300 0.121 0.000 0.861 269 V CB 1.318 33.251 31.823 0.184 0.000 0.985 269 V HN 1.009 nan 8.190 nan 0.000 0.436 270 D N 4.377 124.803 120.400 0.044 0.000 2.472 270 D HA 0.207 4.840 4.640 -0.012 0.000 0.234 270 D C -0.149 176.105 176.300 -0.077 0.000 1.088 270 D CA -0.383 53.594 54.000 -0.038 0.000 0.882 270 D CB 0.876 41.614 40.800 -0.104 0.000 1.037 270 D HN 0.482 nan 8.370 nan 0.000 0.520 271 K N 4.618 124.964 120.400 -0.091 0.000 2.285 271 K HA 0.426 4.739 4.320 -0.012 0.000 0.286 271 K C -0.691 175.759 176.600 -0.251 0.000 1.072 271 K CA -0.534 55.596 56.287 -0.262 0.000 0.913 271 K CB 0.318 32.660 32.500 -0.262 0.000 1.067 271 K HN 0.548 nan 8.250 nan 0.000 0.479 272 L N 0.516 121.571 121.223 -0.281 0.000 2.376 272 L HA 0.600 4.933 4.340 -0.012 0.000 0.258 272 L C -0.658 176.128 176.870 -0.140 0.000 1.013 272 L CA -0.894 53.838 54.840 -0.179 0.000 0.822 272 L CB 2.065 44.030 42.059 -0.157 0.000 1.388 272 L HN 0.250 nan 8.230 nan 0.000 0.413 273 T N 1.485 115.996 114.554 -0.070 0.000 2.845 273 T HA 0.561 4.905 4.350 -0.012 0.000 0.288 273 T C -1.112 173.642 174.700 0.089 0.000 0.980 273 T CA 0.164 62.256 62.100 -0.013 0.000 1.071 273 T CB 0.746 69.592 68.868 -0.037 0.000 0.941 273 T HN 0.471 nan 8.240 nan 0.000 0.487 274 F N 2.745 122.665 119.950 -0.049 0.000 2.529 274 F HA 0.527 5.047 4.527 -0.011 0.000 0.320 274 F C -0.970 174.781 175.800 -0.080 0.000 1.118 274 F CA -1.004 56.977 58.000 -0.031 0.000 0.915 274 F CB 1.570 40.586 39.000 0.027 0.000 1.161 274 F HN 0.356 nan 8.300 nan 0.000 0.445 275 D N 7.730 127.719 120.400 -0.685 0.000 2.542 275 D HA 0.366 4.999 4.640 -0.012 0.000 0.252 275 D C -2.097 173.742 176.300 -0.768 0.000 1.222 275 D CA -2.244 51.442 54.000 -0.523 0.000 0.895 275 D CB 2.512 43.125 40.800 -0.311 0.000 1.207 275 D HN 0.229 nan 8.370 nan 0.000 0.558 276 P HA -0.010 nan 4.420 nan 0.000 0.226 276 P C 1.065 178.341 177.300 -0.041 0.000 1.153 276 P CA 0.357 63.250 63.100 -0.345 0.000 0.777 276 P CB 0.226 31.755 31.700 -0.286 0.000 0.794 277 A N 0.673 123.427 122.820 -0.111 0.000 2.024 277 A HA -0.064 4.249 4.320 -0.012 0.000 0.220 277 A C 2.473 179.968 177.584 -0.149 0.000 1.164 277 A CA 1.749 53.751 52.037 -0.059 0.000 0.643 277 A CB -1.840 17.111 19.000 -0.081 0.000 0.806 277 A HN 0.301 nan 8.150 nan 0.000 0.451 278 G N -1.913 106.674 108.800 -0.354 0.000 2.498 278 G HA2 -0.056 3.897 3.960 -0.012 0.000 0.219 278 G HA3 -0.056 3.897 3.960 -0.012 0.000 0.219 278 G C 0.794 175.361 174.900 -0.556 0.000 1.119 278 G CA 0.834 45.621 45.100 -0.523 0.000 0.766 278 G HN 0.468 nan 8.290 nan 0.000 0.552 279 F N -0.144 119.778 119.950 -0.046 0.000 2.654 279 F HA 0.405 4.925 4.527 -0.012 0.000 0.303 279 F C 1.691 177.487 175.800 -0.007 0.000 1.099 279 F CA -0.579 57.441 58.000 0.034 0.000 1.270 279 F CB 0.547 39.649 39.000 0.170 0.000 1.024 279 F HN 0.164 nan 8.300 nan 0.000 0.548 280 G N 0.150 109.002 108.800 0.087 0.000 2.136 280 G HA2 -0.305 3.648 3.960 -0.012 0.000 0.242 280 G HA3 -0.305 3.648 3.960 -0.012 0.000 0.242 280 G C 0.009 174.871 174.900 -0.063 0.000 0.989 280 G CA -0.553 44.535 45.100 -0.019 0.000 0.682 280 G HN 0.204 nan 8.290 nan 0.000 0.522 281 F N 1.594 121.552 119.950 0.013 0.000 2.438 281 F HA 0.598 5.119 4.527 -0.011 0.000 0.356 281 F C 1.115 176.911 175.800 -0.006 0.000 1.099 281 F CA 0.047 58.057 58.000 0.017 0.000 1.185 281 F CB 1.217 40.238 39.000 0.034 0.000 1.115 281 F HN 0.342 nan 8.300 nan 0.000 0.526 282 A N 5.130 128.032 122.820 0.138 0.000 2.462 282 A HA 0.284 4.597 4.320 -0.012 0.000 0.243 282 A C 0.436 178.080 177.584 0.100 0.000 1.076 282 A CA -0.708 51.379 52.037 0.084 0.000 0.773 282 A CB 0.228 19.257 19.000 0.049 0.000 1.010 282 A HN 0.649 nan 8.150 nan 0.000 0.493 283 R N 0.695 121.229 120.500 0.057 0.000 2.522 283 R HA 0.321 4.655 4.340 -0.012 0.000 0.284 283 R C 0.410 176.734 176.300 0.041 0.000 1.032 283 R CA 0.686 56.810 56.100 0.041 0.000 1.049 283 R CB 0.327 30.638 30.300 0.018 0.000 0.956 283 R HN 0.820 nan 8.270 nan 0.000 0.422 284 A N 3.227 126.071 122.820 0.041 0.000 2.282 284 A HA 0.490 4.803 4.320 -0.012 0.000 0.324 284 A C -0.484 177.113 177.584 0.021 0.000 1.119 284 A CA -0.694 51.364 52.037 0.034 0.000 0.880 284 A CB 1.020 20.046 19.000 0.043 0.000 1.294 284 A HN 0.517 nan 8.150 nan 0.000 0.493 285 Q N 0.018 119.828 119.800 0.018 0.000 2.222 285 Q HA 0.294 4.627 4.340 -0.012 0.000 0.252 285 Q C 0.564 176.570 176.000 0.011 0.000 0.926 285 Q CA -0.783 55.027 55.803 0.012 0.000 0.899 285 Q CB 1.381 30.126 28.738 0.011 0.000 1.250 285 Q HN 0.649 nan 8.270 nan 0.000 0.441 286 L N 1.962 123.189 121.223 0.006 0.000 2.042 286 L HA -0.204 4.129 4.340 -0.012 0.000 0.210 286 L C 1.239 178.112 176.870 0.006 0.000 1.076 286 L CA 2.047 56.889 54.840 0.003 0.000 0.749 286 L CB -0.317 41.740 42.059 -0.002 0.000 0.893 286 L HN 0.575 nan 8.230 nan 0.000 0.432 287 D N -0.691 119.713 120.400 0.007 0.000 2.149 287 D HA -0.231 4.402 4.640 -0.012 0.000 0.198 287 D C 2.158 178.465 176.300 0.011 0.000 0.990 287 D CA 1.200 55.204 54.000 0.008 0.000 0.839 287 D CB -0.101 40.704 40.800 0.008 0.000 0.948 287 D HN 0.546 nan 8.370 nan 0.000 0.460 288 Q N -0.407 119.401 119.800 0.013 0.000 2.364 288 Q HA -0.037 4.297 4.340 -0.012 0.000 0.209 288 Q C 1.851 177.862 176.000 0.019 0.000 0.977 288 Q CA 0.524 56.337 55.803 0.017 0.000 0.885 288 Q CB 0.103 28.853 28.738 0.020 0.000 0.941 288 Q HN 0.359 nan 8.270 nan 0.000 0.464 289 L N -0.209 121.024 121.223 0.017 0.000 2.607 289 L HA 0.253 4.586 4.340 -0.012 0.000 0.228 289 L C 0.713 177.592 176.870 0.015 0.000 1.123 289 L CA -0.653 54.198 54.840 0.018 0.000 0.890 289 L CB -0.007 42.062 42.059 0.016 0.000 1.103 289 L HN -0.006 nan 8.230 nan 0.000 0.468 290 A N 0.709 123.536 122.820 0.013 0.000 2.511 290 A HA 0.442 4.755 4.320 -0.012 0.000 0.242 290 A C 0.813 178.404 177.584 0.012 0.000 1.069 290 A CA 0.437 52.481 52.037 0.011 0.000 0.763 290 A CB 0.063 19.069 19.000 0.009 0.000 1.001 290 A HN 0.267 nan 8.150 nan 0.000 0.498 291 G N 0.325 109.133 108.800 0.012 0.000 2.525 291 G HA2 0.603 4.556 3.960 -0.012 0.000 0.287 291 G HA3 0.603 4.556 3.960 -0.012 0.000 0.287 291 G C 0.326 175.232 174.900 0.010 0.000 1.350 291 G CA -0.015 45.092 45.100 0.012 0.000 1.039 291 G HN 1.397 nan 8.290 nan 0.000 0.513 292 G N -1.223 107.582 108.800 0.008 0.000 3.003 292 G HA2 0.503 4.456 3.960 -0.012 0.000 0.243 292 G HA3 0.503 4.456 3.960 -0.012 0.000 0.243 292 G C -0.983 173.921 174.900 0.006 0.000 1.176 292 G CA 0.211 45.316 45.100 0.007 0.000 0.812 292 G HN 0.795 nan 8.290 nan 0.000 0.584 293 D N -0.221 120.181 120.400 0.003 0.000 2.414 293 D HA 0.483 5.116 4.640 -0.012 0.000 0.259 293 D C 1.650 177.947 176.300 -0.005 0.000 1.269 293 D CA 0.336 54.337 54.000 0.001 0.000 1.028 293 D CB 0.590 41.391 40.800 0.001 0.000 1.093 293 D HN 0.556 nan 8.370 nan 0.000 0.545 294 A N -0.768 122.047 122.820 -0.010 0.000 1.940 294 A HA -0.230 4.083 4.320 -0.012 0.000 0.219 294 A C 2.063 179.632 177.584 -0.026 0.000 1.176 294 A CA 1.400 53.424 52.037 -0.022 0.000 0.631 294 A CB -0.723 18.259 19.000 -0.029 0.000 0.814 294 A HN 0.520 nan 8.150 nan 0.000 0.446 295 Q N -0.682 119.106 119.800 -0.020 0.000 2.123 295 Q HA -0.031 4.302 4.340 -0.012 0.000 0.199 295 Q C 2.404 178.396 176.000 -0.014 0.000 0.966 295 Q CA 1.466 57.257 55.803 -0.020 0.000 0.845 295 Q CB -0.640 28.088 28.738 -0.017 0.000 0.907 295 Q HN 0.668 nan 8.270 nan 0.000 0.439 296 A N 1.508 124.322 122.820 -0.009 0.000 1.897 296 A HA -0.172 4.141 4.320 -0.012 0.000 0.215 296 A C 1.884 179.466 177.584 -0.004 0.000 1.181 296 A CA 1.375 53.409 52.037 -0.005 0.000 0.620 296 A CB -0.412 18.588 19.000 -0.001 0.000 0.821 296 A HN 0.279 nan 8.150 nan 0.000 0.443 297 N N 0.707 119.403 118.700 -0.006 0.000 2.069 297 N HA -0.120 4.613 4.740 -0.012 0.000 0.191 297 N C 1.848 177.352 175.510 -0.011 0.000 1.031 297 N CA 1.725 54.771 53.050 -0.006 0.000 0.852 297 N CB -0.605 37.876 38.487 -0.009 0.000 1.018 297 N HN 0.458 nan 8.380 nan 0.000 0.423 298 A N 0.694 123.502 122.820 -0.021 0.000 1.933 298 A HA 0.057 4.370 4.320 -0.012 0.000 0.218 298 A C 2.329 179.904 177.584 -0.015 0.000 1.175 298 A CA 1.860 53.882 52.037 -0.026 0.000 0.628 298 A CB -0.855 18.121 19.000 -0.040 0.000 0.814 298 A HN 0.316 nan 8.150 nan 0.000 0.444 299 A N -0.057 122.756 122.820 -0.011 0.000 1.902 299 A HA 0.141 4.454 4.320 -0.012 0.000 0.217 299 A C 2.506 180.090 177.584 0.000 0.000 1.181 299 A CA 2.142 54.175 52.037 -0.005 0.000 0.623 299 A CB -1.012 17.985 19.000 -0.004 0.000 0.818 299 A HN 1.048 nan 8.150 nan 0.000 0.443 300 A N -0.571 122.250 122.820 0.002 0.000 1.898 300 A HA 0.030 4.343 4.320 -0.012 0.000 0.216 300 A C 2.222 179.813 177.584 0.012 0.000 1.181 300 A CA 1.692 53.734 52.037 0.008 0.000 0.620 300 A CB -0.948 18.058 19.000 0.010 0.000 0.819 300 A HN 0.387 nan 8.150 nan 0.000 0.442 301 V N 0.501 120.421 119.914 0.010 0.000 2.255 301 V HA -0.327 3.786 4.120 -0.012 0.000 0.247 301 V C 2.670 178.774 176.094 0.016 0.000 1.051 301 V CA 2.365 64.674 62.300 0.015 0.000 1.018 301 V CB -0.894 30.936 31.823 0.012 0.000 0.641 301 V HN 0.543 nan 8.190 nan 0.000 0.445 302 R N 0.183 120.688 120.500 0.009 0.000 2.091 302 R HA -0.151 4.182 4.340 -0.012 0.000 0.238 302 R C 2.445 178.752 176.300 0.011 0.000 1.136 302 R CA 1.569 57.675 56.100 0.010 0.000 0.959 302 R CB -0.733 29.569 30.300 0.003 0.000 0.856 302 R HN 0.555 nan 8.270 nan 0.000 0.437 303 A N 0.895 123.722 122.820 0.010 0.000 1.858 303 A HA -0.112 4.201 4.320 -0.012 0.000 0.216 303 A C 2.446 180.039 177.584 0.015 0.000 1.190 303 A CA 1.451 53.494 52.037 0.011 0.000 0.617 303 A CB -0.636 18.370 19.000 0.011 0.000 0.827 303 A HN 0.112 nan 8.150 nan 0.000 0.443 304 V N -0.301 119.624 119.914 0.019 0.000 2.295 304 V HA -0.200 3.913 4.120 -0.012 0.000 0.246 304 V C 2.456 178.563 176.094 0.022 0.000 1.049 304 V CA 1.785 64.098 62.300 0.023 0.000 1.024 304 V CB -0.681 31.159 31.823 0.028 0.000 0.648 304 V HN 0.471 nan 8.190 nan 0.000 0.447 305 L N 0.939 122.176 121.223 0.022 0.000 2.201 305 L HA 0.007 4.340 4.340 -0.012 0.000 0.212 305 L C 2.380 179.260 176.870 0.017 0.000 1.105 305 L CA 1.999 56.852 54.840 0.022 0.000 0.775 305 L CB -1.531 40.545 42.059 0.027 0.000 0.913 305 L HN 0.372 nan 8.230 nan 0.000 0.440 306 G N -1.813 106.996 108.800 0.015 0.000 2.848 306 G HA2 0.278 4.231 3.960 -0.012 0.000 0.208 306 G HA3 0.278 4.231 3.960 -0.012 0.000 0.208 306 G C 1.243 176.149 174.900 0.010 0.000 1.152 306 G CA 0.577 45.684 45.100 0.012 0.000 0.789 306 G HN 0.557 nan 8.290 nan 0.000 0.531 307 G N -1.483 107.324 108.800 0.012 0.000 2.179 307 G HA2 0.137 4.090 3.960 -0.012 0.000 0.220 307 G HA3 0.137 4.090 3.960 -0.012 0.000 0.220 307 G C 0.510 175.416 174.900 0.011 0.000 0.990 307 G CA 0.091 45.197 45.100 0.010 0.000 0.646 307 G HN 1.324 nan 8.290 nan 0.000 0.517 308 A N 0.929 123.756 122.820 0.013 0.000 2.545 308 A HA 0.576 4.889 4.320 -0.012 0.000 0.253 308 A C 0.972 178.566 177.584 0.017 0.000 1.074 308 A CA 0.516 52.560 52.037 0.013 0.000 0.760 308 A CB 0.079 19.087 19.000 0.014 0.000 1.005 308 A HN 0.566 nan 8.150 nan 0.000 0.506 309 R N 1.493 122.001 120.500 0.014 0.000 2.549 309 R HA 0.724 5.057 4.340 -0.012 0.000 0.267 309 R C 0.596 176.908 176.300 0.021 0.000 1.045 309 R CA 0.365 56.474 56.100 0.016 0.000 1.115 309 R CB 1.134 31.439 30.300 0.008 0.000 1.121 309 R HN 1.278 nan 8.270 nan 0.000 0.543 310 G N 0.328 109.146 108.800 0.029 0.000 2.346 310 G HA2 -0.085 3.868 3.960 -0.012 0.000 0.294 310 G HA3 -0.085 3.868 3.960 -0.012 0.000 0.294 310 G C -2.530 172.402 174.900 0.053 0.000 1.294 310 G CA -1.064 44.057 45.100 0.034 0.000 0.962 310 G HN 0.346 nan 8.290 nan 0.000 0.508 311 P HA -0.011 nan 4.420 nan 0.000 0.215 311 P C 2.145 179.487 177.300 0.070 0.000 1.153 311 P CA 1.732 64.872 63.100 0.067 0.000 0.853 311 P CB 0.047 31.776 31.700 0.048 0.000 0.788 312 V N 0.271 120.217 119.914 0.053 0.000 2.237 312 V HA -0.248 3.865 4.120 -0.012 0.000 0.245 312 V C 2.720 178.852 176.094 0.064 0.000 1.046 312 V CA 2.022 64.352 62.300 0.050 0.000 1.007 312 V CB -1.071 30.774 31.823 0.037 0.000 0.638 312 V HN 0.065 nan 8.190 nan 0.000 0.445 313 R N 0.223 120.761 120.500 0.063 0.000 2.112 313 R HA -0.275 4.058 4.340 -0.012 0.000 0.242 313 R C 2.008 178.380 176.300 0.120 0.000 1.137 313 R CA 2.617 58.762 56.100 0.074 0.000 0.944 313 R CB -0.632 29.703 30.300 0.058 0.000 0.857 313 R HN 0.520 nan 8.270 nan 0.000 0.435 314 D N 0.112 120.605 120.400 0.155 0.000 2.116 314 D HA -0.178 4.455 4.640 -0.012 0.000 0.193 314 D C 1.797 178.253 176.300 0.261 0.000 0.998 314 D CA 1.892 56.072 54.000 0.299 0.000 0.836 314 D CB -0.409 40.590 40.800 0.331 0.000 0.951 314 D HN 0.471 nan 8.370 nan 0.000 0.449 315 A N 0.329 123.228 122.820 0.132 0.000 1.902 315 A HA -0.141 4.172 4.320 -0.012 0.000 0.217 315 A C 2.535 180.154 177.584 0.057 0.000 1.181 315 A CA 1.365 53.436 52.037 0.057 0.000 0.623 315 A CB -0.777 18.248 19.000 0.042 0.000 0.818 315 A HN 0.155 nan 8.150 nan 0.000 0.443 316 V N -0.399 119.560 119.914 0.073 0.000 2.295 316 V HA -0.245 3.868 4.120 -0.012 0.000 0.246 316 V C 2.589 178.729 176.094 0.076 0.000 1.049 316 V CA 2.059 64.397 62.300 0.063 0.000 1.024 316 V CB -0.823 31.035 31.823 0.058 0.000 0.648 316 V HN 0.373 nan 8.190 nan 0.000 0.447 317 V N -0.284 119.703 119.914 0.122 0.000 2.332 317 V HA -0.263 3.850 4.120 -0.012 0.000 0.248 317 V C 2.388 178.585 176.094 0.171 0.000 1.055 317 V CA 2.221 64.614 62.300 0.155 0.000 1.038 317 V CB -0.620 31.335 31.823 0.221 0.000 0.651 317 V HN 0.529 nan 8.190 nan 0.000 0.450 318 L N 0.570 121.878 121.223 0.142 0.000 2.046 318 L HA -0.153 4.180 4.340 -0.012 0.000 0.208 318 L C 2.170 179.108 176.870 0.113 0.000 1.077 318 L CA 2.030 56.890 54.840 0.032 0.000 0.747 318 L CB -0.882 40.984 42.059 -0.322 0.000 0.896 318 L HN 0.325 nan 8.230 nan 0.000 0.432 319 N N -0.332 118.401 118.700 0.055 0.000 2.250 319 N HA -0.069 4.664 4.740 -0.012 0.000 0.181 319 N C 1.802 177.312 175.510 -0.001 0.000 1.017 319 N CA 1.265 54.336 53.050 0.035 0.000 0.866 319 N CB -0.160 38.343 38.487 0.026 0.000 0.985 319 N HN 0.500 nan 8.380 nan 0.000 0.429 320 A N 1.502 124.324 122.820 0.003 0.000 1.883 320 A HA -0.060 4.253 4.320 -0.012 0.000 0.217 320 A C 2.402 179.931 177.584 -0.092 0.000 1.186 320 A CA 1.993 54.009 52.037 -0.035 0.000 0.624 320 A CB -0.819 18.172 19.000 -0.016 0.000 0.822 320 A HN 0.319 nan 8.150 nan 0.000 0.444 321 A N -0.532 122.249 122.820 -0.066 0.000 1.940 321 A HA 0.095 4.408 4.320 -0.012 0.000 0.219 321 A C 2.430 179.693 177.584 -0.535 0.000 1.176 321 A CA 1.993 53.915 52.037 -0.192 0.000 0.631 321 A CB -1.448 17.551 19.000 -0.001 0.000 0.814 321 A HN 0.794 nan 8.150 nan 0.000 0.446 322 G N -0.408 108.131 108.800 -0.434 0.000 2.440 322 G HA2 -0.059 3.894 3.960 -0.012 0.000 0.218 322 G HA3 -0.059 3.894 3.960 -0.012 0.000 0.218 322 G C 1.745 176.421 174.900 -0.374 0.000 1.154 322 G CA 1.566 46.343 45.100 -0.537 0.000 0.767 322 G HN 0.835 nan 8.290 nan 0.000 0.552 323 A N 0.632 123.318 122.820 -0.223 0.000 1.933 323 A HA 0.069 4.382 4.320 -0.012 0.000 0.218 323 A C 2.408 179.892 177.584 -0.167 0.000 1.175 323 A CA 1.278 53.221 52.037 -0.157 0.000 0.628 323 A CB -0.320 18.619 19.000 -0.102 0.000 0.814 323 A HN 0.395 nan 8.150 nan 0.000 0.444 324 I N -0.462 119.974 120.570 -0.222 0.000 2.226 324 I HA -0.203 3.960 4.170 -0.012 0.000 0.245 324 I C 2.317 178.305 176.117 -0.214 0.000 1.100 324 I CA 0.997 62.181 61.300 -0.194 0.000 1.374 324 I CB -0.359 37.513 38.000 -0.215 0.000 1.057 324 I HN 0.143 nan 8.210 nan 0.000 0.413 325 V N 1.220 120.865 119.914 -0.447 0.000 2.287 325 V HA -0.333 3.780 4.120 -0.012 0.000 0.248 325 V C 2.779 178.725 176.094 -0.246 0.000 1.053 325 V CA 2.089 64.086 62.300 -0.506 0.000 1.027 325 V CB -1.093 30.075 31.823 -1.092 0.000 0.646 325 V HN 0.511 nan 8.190 nan 0.000 0.447 326 A N -0.703 121.999 122.820 -0.196 0.000 1.908 326 A HA -0.321 3.992 4.320 -0.012 0.000 0.218 326 A C 2.267 179.814 177.584 -0.062 0.000 1.181 326 A CA 2.142 54.124 52.037 -0.092 0.000 0.627 326 A CB -0.967 17.977 19.000 -0.092 0.000 0.818 326 A HN 0.734 nan 8.150 nan 0.000 0.445 327 H N 0.050 119.039 119.070 -0.136 0.000 2.352 327 H HA -0.105 4.444 4.556 -0.012 0.000 0.299 327 H C 2.221 177.495 175.328 -0.090 0.000 1.097 327 H CA 1.797 57.782 56.048 -0.106 0.000 1.311 327 H CB -0.198 29.496 29.762 -0.114 0.000 1.377 327 H HN 0.409 nan 8.280 nan 0.000 0.504 328 A N 0.512 123.271 122.820 -0.101 0.000 1.972 328 A HA -0.072 4.241 4.320 -0.012 0.000 0.219 328 A C 2.674 180.187 177.584 -0.118 0.000 1.169 328 A CA 1.293 53.258 52.037 -0.120 0.000 0.635 328 A CB -1.108 17.847 19.000 -0.074 0.000 0.810 328 A HN 0.566 nan 8.150 nan 0.000 0.446 329 G N -0.599 108.149 108.800 -0.086 0.000 2.708 329 G HA2 0.038 3.991 3.960 -0.012 0.000 0.210 329 G HA3 0.038 3.991 3.960 -0.012 0.000 0.210 329 G C 1.231 176.091 174.900 -0.066 0.000 1.141 329 G CA 0.527 45.603 45.100 -0.040 0.000 0.788 329 G HN 0.462 nan 8.290 nan 0.000 0.531 330 L N 0.483 121.627 121.223 -0.133 0.000 2.465 330 L HA 0.094 4.427 4.340 -0.012 0.000 0.224 330 L C 1.565 178.376 176.870 -0.099 0.000 1.145 330 L CA 0.218 54.981 54.840 -0.128 0.000 0.834 330 L CB 0.052 41.992 42.059 -0.198 0.000 0.944 330 L HN 0.242 nan 8.230 nan 0.000 0.451 331 S N -1.005 114.639 115.700 -0.094 0.000 2.437 331 S HA 0.171 4.634 4.470 -0.012 0.000 0.305 331 S C 1.218 175.803 174.600 -0.025 0.000 1.109 331 S CA -0.389 57.778 58.200 -0.056 0.000 1.099 331 S CB 1.459 64.625 63.200 -0.056 0.000 1.004 331 S HN 0.268 nan 8.310 nan 0.000 0.475 332 S N 3.766 119.458 115.700 -0.012 0.000 2.500 332 S HA -0.051 4.412 4.470 -0.012 0.000 0.239 332 S C 1.772 176.381 174.600 0.014 0.000 0.989 332 S CA 0.780 58.982 58.200 0.004 0.000 0.951 332 S CB -0.542 62.661 63.200 0.004 0.000 0.759 332 S HN 0.929 nan 8.310 nan 0.000 0.523 333 R N 0.941 121.447 120.500 0.010 0.000 2.317 333 R HA 0.721 5.054 4.340 -0.012 0.000 0.208 333 R C 0.904 177.223 176.300 0.032 0.000 0.914 333 R CA 0.479 56.592 56.100 0.020 0.000 1.060 333 R CB -1.330 28.978 30.300 0.014 0.000 1.015 333 R HN 0.737 nan 8.270 nan 0.000 0.498 334 A N 1.708 124.547 122.820 0.032 0.000 2.511 334 A HA 0.394 4.707 4.320 -0.012 0.000 0.242 334 A C -0.349 177.292 177.584 0.096 0.000 1.069 334 A CA -0.073 51.993 52.037 0.048 0.000 0.763 334 A CB 0.275 19.297 19.000 0.036 0.000 1.001 334 A HN 0.475 nan 8.150 nan 0.000 0.498 335 E N 1.872 122.139 120.200 0.111 0.000 2.171 335 E HA 0.058 4.401 4.350 -0.012 0.000 0.271 335 E C 0.524 177.276 176.600 0.254 0.000 0.916 335 E CA -0.664 55.840 56.400 0.172 0.000 0.774 335 E CB 1.180 30.962 29.700 0.137 0.000 1.128 335 E HN 0.961 nan 8.360 nan 0.000 0.403 336 W N 4.483 125.865 121.300 0.137 0.000 2.332 336 W HA -0.213 4.440 4.660 -0.012 0.000 0.321 336 W C 1.112 177.851 176.519 0.366 0.000 1.219 336 W CA 1.202 58.689 57.345 0.237 0.000 1.277 336 W CB -0.033 29.583 29.460 0.259 0.000 1.161 336 W HN 0.497 nan 8.180 nan 0.000 0.476 337 L N 0.507 121.966 121.223 0.394 0.000 2.017 337 L HA -0.185 4.148 4.340 -0.012 0.000 0.208 337 L C -0.427 176.572 176.870 0.215 0.000 1.073 337 L CA 1.416 56.446 54.840 0.316 0.000 0.745 337 L CB -2.387 39.860 42.059 0.315 0.000 0.894 337 L HN -0.089 nan 8.230 nan 0.000 0.432 338 P HA -0.174 nan 4.420 nan 0.000 0.216 338 P C 1.447 178.763 177.300 0.027 0.000 1.150 338 P CA 1.738 64.892 63.100 0.090 0.000 0.837 338 P CB -0.008 31.741 31.700 0.082 0.000 0.786 339 A N -1.592 121.225 122.820 -0.005 0.000 1.877 339 A HA -0.182 4.131 4.320 -0.012 0.000 0.216 339 A C 2.121 179.542 177.584 -0.273 0.000 1.186 339 A CA 1.418 53.372 52.037 -0.138 0.000 0.620 339 A CB -1.878 17.017 19.000 -0.175 0.000 0.822 339 A HN 0.198 nan 8.150 nan 0.000 0.443 340 W N 0.172 121.282 121.300 -0.317 0.000 2.335 340 W HA -0.146 4.507 4.660 -0.011 0.000 0.311 340 W C 2.417 178.693 176.519 -0.405 0.000 1.213 340 W CA 1.554 58.612 57.345 -0.479 0.000 1.274 340 W CB -0.229 28.796 29.460 -0.725 0.000 1.148 340 W HN 0.453 nan 8.180 nan 0.000 0.498 341 E N -0.134 120.055 120.200 -0.018 0.000 2.049 341 E HA -0.309 4.034 4.350 -0.012 0.000 0.198 341 E C 1.868 178.449 176.600 -0.031 0.000 1.007 341 E CA 1.785 58.181 56.400 -0.007 0.000 0.809 341 E CB -0.362 29.373 29.700 0.060 0.000 0.749 341 E HN 0.138 nan 8.360 nan 0.000 0.450 342 E N 0.287 120.460 120.200 -0.044 0.000 2.077 342 E HA -0.132 4.211 4.350 -0.012 0.000 0.193 342 E C 2.032 178.580 176.600 -0.087 0.000 0.989 342 E CA 1.542 57.909 56.400 -0.055 0.000 0.800 342 E CB -0.588 29.083 29.700 -0.050 0.000 0.746 342 E HN 0.271 nan 8.360 nan 0.000 0.452 343 G N 0.294 109.004 108.800 -0.150 0.000 2.422 343 G HA2 -0.211 3.742 3.960 -0.012 0.000 0.218 343 G HA3 -0.211 3.742 3.960 -0.012 0.000 0.218 343 G C 1.593 176.435 174.900 -0.097 0.000 1.146 343 G CA 0.881 45.871 45.100 -0.185 0.000 0.769 343 G HN 0.296 nan 8.290 nan 0.000 0.547 344 L N -0.419 120.776 121.223 -0.046 0.000 2.072 344 L HA 0.030 4.363 4.340 -0.012 0.000 0.205 344 L C 3.152 180.025 176.870 0.006 0.000 1.079 344 L CA 0.745 55.603 54.840 0.031 0.000 0.752 344 L CB -0.302 41.791 42.059 0.058 0.000 0.906 344 L HN 0.112 nan 8.230 nan 0.000 0.436 345 R N -0.073 120.418 120.500 -0.016 0.000 2.083 345 R HA -0.161 4.172 4.340 -0.012 0.000 0.237 345 R C 2.447 178.733 176.300 -0.024 0.000 1.137 345 R CA 1.529 57.618 56.100 -0.018 0.000 0.951 345 R CB -0.308 29.981 30.300 -0.018 0.000 0.851 345 R HN 0.335 nan 8.270 nan 0.000 0.434 346 R N -0.016 120.460 120.500 -0.039 0.000 2.092 346 R HA -0.045 4.288 4.340 -0.012 0.000 0.231 346 R C 2.293 178.568 176.300 -0.042 0.000 1.119 346 R CA 1.245 57.317 56.100 -0.048 0.000 0.970 346 R CB -0.241 30.017 30.300 -0.071 0.000 0.864 346 R HN 0.214 nan 8.270 nan 0.000 0.440 347 A N 0.415 123.215 122.820 -0.033 0.000 1.897 347 A HA -0.093 4.220 4.320 -0.012 0.000 0.215 347 A C 2.190 179.775 177.584 0.002 0.000 1.181 347 A CA 1.427 53.454 52.037 -0.017 0.000 0.620 347 A CB -0.355 18.645 19.000 0.001 0.000 0.821 347 A HN 0.186 nan 8.150 nan 0.000 0.443 348 S N 0.004 115.710 115.700 0.010 0.000 2.356 348 S HA -0.063 4.400 4.470 -0.012 0.000 0.223 348 S C 2.335 176.934 174.600 -0.003 0.000 1.032 348 S CA 1.254 59.459 58.200 0.009 0.000 1.005 348 S CB -0.498 62.704 63.200 0.003 0.000 0.867 348 S HN 0.787 nan 8.310 nan 0.000 0.449 349 A N 1.599 124.412 122.820 -0.011 0.000 1.940 349 A HA 0.056 4.369 4.320 -0.012 0.000 0.219 349 A C 2.352 179.927 177.584 -0.015 0.000 1.176 349 A CA 1.764 53.793 52.037 -0.014 0.000 0.631 349 A CB -1.108 17.881 19.000 -0.018 0.000 0.814 349 A HN 0.521 nan 8.150 nan 0.000 0.446 350 A N -0.096 122.713 122.820 -0.020 0.000 1.940 350 A HA -0.132 4.181 4.320 -0.012 0.000 0.219 350 A C 2.125 179.703 177.584 -0.010 0.000 1.176 350 A CA 1.674 53.699 52.037 -0.021 0.000 0.631 350 A CB -0.577 18.404 19.000 -0.031 0.000 0.814 350 A HN 0.531 nan 8.150 nan 0.000 0.446 351 I N -0.408 120.161 120.570 -0.003 0.000 2.193 351 I HA -0.184 3.979 4.170 -0.012 0.000 0.240 351 I C 1.844 177.962 176.117 0.002 0.000 1.084 351 I CA 1.436 62.739 61.300 0.005 0.000 1.365 351 I CB -0.463 37.545 38.000 0.012 0.000 1.064 351 I HN 0.213 nan 8.210 nan 0.000 0.410 352 D N 0.448 120.848 120.400 -0.000 0.000 2.178 352 D HA -0.147 4.486 4.640 -0.012 0.000 0.201 352 D C 2.134 178.432 176.300 -0.003 0.000 0.980 352 D CA 1.958 55.957 54.000 -0.002 0.000 0.842 352 D CB -0.347 40.450 40.800 -0.004 0.000 0.948 352 D HN 0.403 nan 8.370 nan 0.000 0.472 353 T N -3.285 111.266 114.554 -0.005 0.000 3.148 353 T HA 0.295 4.638 4.350 -0.012 0.000 0.253 353 T C 1.676 176.375 174.700 -0.003 0.000 1.134 353 T CA 0.736 62.832 62.100 -0.006 0.000 1.051 353 T CB 0.310 69.172 68.868 -0.009 0.000 0.959 353 T HN 0.211 nan 8.240 nan 0.000 0.525 354 G N 0.768 109.567 108.800 -0.001 0.000 2.179 354 G HA2 -0.246 3.707 3.960 -0.012 0.000 0.260 354 G HA3 -0.246 3.707 3.960 -0.012 0.000 0.260 354 G C 1.213 176.115 174.900 0.003 0.000 0.977 354 G CA 0.281 45.383 45.100 0.003 0.000 0.641 354 G HN 1.038 nan 8.290 nan 0.000 0.533 355 A N 0.283 123.101 122.820 -0.004 0.000 1.908 355 A HA 0.297 4.610 4.320 -0.012 0.000 0.218 355 A C 2.840 180.420 177.584 -0.006 0.000 1.181 355 A CA 2.926 54.957 52.037 -0.010 0.000 0.627 355 A CB -0.866 18.122 19.000 -0.021 0.000 0.818 355 A HN 1.834 nan 8.150 nan 0.000 0.445 356 A N -0.530 122.289 122.820 -0.002 0.000 1.873 356 A HA -0.161 4.152 4.320 -0.012 0.000 0.215 356 A C 2.049 179.649 177.584 0.027 0.000 1.186 356 A CA 1.742 53.784 52.037 0.008 0.000 0.616 356 A CB -0.596 18.411 19.000 0.011 0.000 0.823 356 A HN 0.657 nan 8.150 nan 0.000 0.442 357 E N -0.313 119.902 120.200 0.025 0.000 2.085 357 E HA -0.287 4.057 4.350 -0.012 0.000 0.194 357 E C 2.159 178.782 176.600 0.038 0.000 0.994 357 E CA 1.600 58.020 56.400 0.032 0.000 0.801 357 E CB -0.161 29.552 29.700 0.022 0.000 0.743 357 E HN 0.761 nan 8.360 nan 0.000 0.453 358 Q N 0.294 120.111 119.800 0.028 0.000 2.124 358 Q HA -0.143 4.190 4.340 -0.012 0.000 0.202 358 Q C 2.393 178.418 176.000 0.042 0.000 0.977 358 Q CA 1.307 57.128 55.803 0.030 0.000 0.850 358 Q CB -0.111 28.636 28.738 0.016 0.000 0.901 358 Q HN 0.356 nan 8.270 nan 0.000 0.429 359 L N 0.238 121.481 121.223 0.034 0.000 2.056 359 L HA -0.177 4.156 4.340 -0.012 0.000 0.207 359 L C 2.147 179.086 176.870 0.115 0.000 1.078 359 L CA 0.816 55.675 54.840 0.032 0.000 0.749 359 L CB -0.217 41.829 42.059 -0.022 0.000 0.901 359 L HN 0.249 nan 8.230 nan 0.000 0.433 360 L N 0.323 121.633 121.223 0.145 0.000 2.012 360 L HA -0.181 4.152 4.340 -0.012 0.000 0.210 360 L C 2.632 179.617 176.870 0.190 0.000 1.073 360 L CA 2.161 57.137 54.840 0.228 0.000 0.748 360 L CB -1.095 41.056 42.059 0.153 0.000 0.891 360 L HN 0.307 nan 8.230 nan 0.000 0.431 361 A N -0.294 122.596 122.820 0.117 0.000 1.892 361 A HA -0.327 3.986 4.320 -0.012 0.000 0.218 361 A C 2.561 180.220 177.584 0.126 0.000 1.188 361 A CA 2.272 54.364 52.037 0.093 0.000 0.631 361 A CB -0.764 18.273 19.000 0.062 0.000 0.822 361 A HN 0.558 nan 8.150 nan 0.000 0.447 362 R N -2.123 118.460 120.500 0.138 0.000 2.081 362 R HA -0.195 4.138 4.340 -0.012 0.000 0.235 362 R C 2.011 178.473 176.300 0.271 0.000 1.131 362 R CA 1.698 57.892 56.100 0.156 0.000 0.960 362 R CB -0.402 29.957 30.300 0.100 0.000 0.856 362 R HN 0.680 nan 8.270 nan 0.000 0.436 363 W N 0.740 122.072 121.300 0.052 0.000 2.358 363 W HA -0.146 4.507 4.660 -0.012 0.000 0.303 363 W C 1.811 178.402 176.519 0.120 0.000 1.208 363 W CA 1.113 58.501 57.345 0.071 0.000 1.274 363 W CB -0.740 28.730 29.460 0.017 0.000 1.138 363 W HN -0.062 nan 8.180 nan 0.000 0.515 364 V N 1.318 121.352 119.914 0.201 0.000 2.255 364 V HA -0.332 3.781 4.120 -0.012 0.000 0.247 364 V C 2.597 178.747 176.094 0.093 0.000 1.051 364 V CA 2.392 64.722 62.300 0.051 0.000 1.018 364 V CB -0.902 30.928 31.823 0.011 0.000 0.641 364 V HN 0.103 nan 8.190 nan 0.000 0.445 365 R N -0.809 119.767 120.500 0.126 0.000 2.103 365 R HA -0.234 4.099 4.340 -0.012 0.000 0.242 365 R C 2.259 178.640 176.300 0.135 0.000 1.142 365 R CA 2.176 58.341 56.100 0.108 0.000 0.960 365 R CB -0.747 29.616 30.300 0.107 0.000 0.858 365 R HN 0.552 nan 8.270 nan 0.000 0.439 366 F N 1.149 121.160 119.950 0.101 0.000 2.120 366 F HA -0.134 4.386 4.527 -0.012 0.000 0.300 366 F C 2.158 178.011 175.800 0.089 0.000 1.095 366 F CA 1.879 59.948 58.000 0.114 0.000 1.249 366 F CB -0.550 38.564 39.000 0.190 0.000 0.995 366 F HN 0.013 nan 8.300 nan 0.000 0.480 367 G N -0.241 108.601 108.800 0.070 0.000 2.598 367 G HA2 -0.144 3.809 3.960 -0.012 0.000 0.215 367 G HA3 -0.144 3.809 3.960 -0.012 0.000 0.215 367 G C 1.640 176.466 174.900 -0.124 0.000 1.131 367 G CA 0.247 45.310 45.100 -0.061 0.000 0.785 367 G HN 0.367 nan 8.290 nan 0.000 0.539 368 R N -0.705 119.738 120.500 -0.096 0.000 2.312 368 R HA 0.452 4.785 4.340 -0.012 0.000 0.205 368 R C 1.032 177.273 176.300 -0.098 0.000 0.904 368 R CA 0.838 56.890 56.100 -0.080 0.000 1.052 368 R CB 0.180 30.456 30.300 -0.041 0.000 1.014 368 R HN 0.455 nan 8.270 nan 0.000 0.503 369 Q N 0.000 119.714 119.800 -0.143 0.000 2.315 369 Q HA 0.000 4.333 4.340 -0.012 0.000 0.214 369 Q CA 0.000 nan 55.803 nan 0.000 1.022 369 Q CB 0.000 nan 28.738 nan 0.000 1.108 369 Q HN 0.000 nan 8.270 nan 0.000 0.481