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 2cmz_1_A DATA FIRST_RESID 1 DATA SEQUENCE KFTIVFPHNQ KGNWKNVPSN YHYcPSSSDL NWHNDLIGTA IQVKMPKSHK DATA SEQUENCE AIQADGWMcH ASKWVTTcDF RWYGPKYITQ SIRSFTPSVE QcKESIEQTK DATA SEQUENCE QGTWLNPGFP PQScGYATVT DAEAVIVQVT PHHVLVDEYT GEWVDSQFIN DATA SEQUENCE GKcSNYIcPT VHNSTTWHSD YKVKGLcDSN LISMDITFFS EDGELSSLGK DATA SEQUENCE EGTGFRSNYF AYETGGKAcK MQYcKHWGVR LPSGVWFEMA DKDLFAAARF DATA SEQUENCE PEcPEGSSIS APSQTSVDVS LIQDVERILD YSLcQETWSK IRAGLPISPV DATA SEQUENCE DLSYLAPKNP GTGPAFTIIN GTLKYFETRY IRVDIAAPIL SRMVGMISGT DATA SEQUENCE TTERELWDDW APYEDVEIGP NGVLRTSSGY KFPLYMIGHG MLDSDLHLSS DATA SEQUENCE KAQVFEHPH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 K HA 0.000 nan 4.320 nan 0.000 0.191 1 K C 0.000 176.341 176.600 -0.432 0.000 0.988 1 K CA 0.000 56.133 56.287 -0.257 0.000 0.838 1 K CB 0.000 32.296 32.500 -0.340 0.000 1.064 2 F N 2.435 122.347 119.950 -0.063 0.000 2.426 2 F HA 0.448 4.976 4.527 0.000 0.000 0.348 2 F C -0.135 175.618 175.800 -0.078 0.000 1.124 2 F CA -0.719 57.238 58.000 -0.071 0.000 1.008 2 F CB 2.154 41.094 39.000 -0.100 0.000 1.139 2 F HN -0.174 nan 8.300 nan 0.000 0.452 3 T N 5.659 120.273 114.554 0.099 0.000 2.806 3 T HA 0.668 5.018 4.350 0.001 0.000 0.290 3 T C -0.060 174.687 174.700 0.079 0.000 0.966 3 T CA -0.359 61.777 62.100 0.059 0.000 1.060 3 T CB 0.559 69.448 68.868 0.036 0.000 0.927 3 T HN 0.534 nan 8.240 nan 0.000 0.485 4 I N -0.079 120.531 120.570 0.067 0.000 3.264 4 I HA 0.881 5.051 4.170 0.001 0.000 0.315 4 I C -0.685 175.521 176.117 0.150 0.000 1.154 4 I CA -1.679 59.685 61.300 0.107 0.000 0.962 4 I CB 2.102 40.154 38.000 0.087 0.000 1.265 4 I HN 0.410 nan 8.210 nan 0.000 0.463 5 V N 0.158 120.202 119.914 0.216 0.000 2.667 5 V HA 0.742 4.863 4.120 0.001 0.000 0.308 5 V C -1.080 175.319 176.094 0.508 0.000 1.048 5 V CA -0.534 61.946 62.300 0.299 0.000 0.928 5 V CB 1.614 33.590 31.823 0.255 0.000 1.004 5 V HN 0.839 nan 8.190 nan 0.000 0.444 6 F N 3.506 123.606 119.950 0.249 0.000 2.678 6 F HA 0.794 5.322 4.527 0.000 0.000 0.308 6 F C -2.752 172.961 175.800 -0.145 0.000 1.118 6 F CA -1.833 56.247 58.000 0.134 0.000 0.959 6 F CB 2.881 41.962 39.000 0.135 0.000 1.305 6 F HN 0.481 nan 8.300 nan 0.000 0.443 7 P HA 0.188 nan 4.420 nan 0.000 0.274 7 P C -1.188 176.004 177.300 -0.179 0.000 1.256 7 P CA -0.014 62.688 63.100 -0.664 0.000 0.795 7 P CB 0.454 31.681 31.700 -0.787 0.000 1.038 8 H N -0.386 118.670 119.070 -0.024 0.000 2.972 8 H HA 0.010 4.566 4.556 0.001 0.000 0.343 8 H C 1.017 176.462 175.328 0.195 0.000 1.054 8 H CA 0.577 56.685 56.048 0.101 0.000 1.412 8 H CB -0.166 29.620 29.762 0.041 0.000 1.385 8 H HN 0.343 nan 8.280 nan 0.000 0.600 9 N N 3.438 122.339 118.700 0.335 0.000 2.417 9 N HA -0.057 4.683 4.740 0.001 0.000 0.272 9 N C -0.851 174.606 175.510 -0.088 0.000 1.304 9 N CA 0.204 53.334 53.050 0.134 0.000 0.906 9 N CB 0.066 38.589 38.487 0.060 0.000 1.135 9 N HN 0.693 nan 8.380 nan 0.000 0.483 10 Q N 1.365 120.966 119.800 -0.332 0.000 2.685 10 Q HA 0.335 4.675 4.340 0.001 0.000 0.301 10 Q C -1.297 174.391 176.000 -0.521 0.000 0.924 10 Q CA -1.077 54.542 55.803 -0.307 0.000 0.755 10 Q CB 0.699 29.382 28.738 -0.091 0.000 1.470 10 Q HN 0.212 nan 8.270 nan 0.000 0.434 11 K N 0.867 121.033 120.400 -0.390 0.000 2.292 11 K HA 0.325 4.646 4.320 0.001 0.000 0.290 11 K C 0.137 176.361 176.600 -0.628 0.000 1.083 11 K CA 0.243 56.294 56.287 -0.394 0.000 0.918 11 K CB 0.756 33.090 32.500 -0.276 0.000 1.089 11 K HN 0.645 nan 8.250 nan 0.000 0.473 12 G N 2.704 111.035 108.800 -0.782 0.000 2.248 12 G HA2 -0.142 3.819 3.960 0.001 0.000 0.260 12 G HA3 -0.142 3.819 3.960 0.001 0.000 0.260 12 G C 0.327 174.426 174.900 -1.336 0.000 1.214 12 G CA -0.302 43.624 45.100 -1.956 0.000 0.979 12 G HN 0.832 nan 8.290 nan 0.000 0.454 13 N N 2.375 120.326 118.700 -1.249 0.000 2.780 13 N HA -0.048 4.692 4.740 0.001 0.000 0.250 13 N C -0.237 175.014 175.510 -0.432 0.000 1.409 13 N CA -0.355 52.335 53.050 -0.599 0.000 0.965 13 N CB -0.030 38.229 38.487 -0.380 0.000 1.314 13 N HN 0.528 nan 8.380 nan 0.000 0.526 14 W N 1.516 122.685 121.300 -0.218 0.000 2.443 14 W HA 0.015 4.675 4.660 0.000 0.000 0.335 14 W C 0.445 176.929 176.519 -0.058 0.000 1.382 14 W CA -0.349 56.944 57.345 -0.086 0.000 1.305 14 W CB 0.297 29.741 29.460 -0.026 0.000 1.283 14 W HN -0.043 nan 8.180 nan 0.000 0.567 15 K N 2.570 123.077 120.400 0.177 0.000 2.395 15 K HA 0.288 4.608 4.320 0.001 0.000 0.247 15 K C -0.115 176.687 176.600 0.337 0.000 0.973 15 K CA -1.297 55.082 56.287 0.154 0.000 0.828 15 K CB 1.152 33.657 32.500 0.008 0.000 1.272 15 K HN 0.229 nan 8.250 nan 0.000 0.439 16 N N 0.536 119.409 118.700 0.289 0.000 2.395 16 N HA 0.017 4.757 4.740 0.001 0.000 0.246 16 N C -0.723 175.049 175.510 0.436 0.000 1.246 16 N CA 0.035 53.272 53.050 0.312 0.000 0.879 16 N CB 0.580 39.189 38.487 0.202 0.000 1.098 16 N HN 0.160 nan 8.380 nan 0.000 0.444 17 V N 3.914 124.044 119.914 0.360 0.000 2.406 17 V HA 0.227 4.348 4.120 0.001 0.000 0.272 17 V C -1.805 174.368 176.094 0.133 0.000 1.043 17 V CA -1.383 61.052 62.300 0.225 0.000 0.915 17 V CB 0.922 32.876 31.823 0.218 0.000 0.988 17 V HN 0.586 nan 8.190 nan 0.000 0.466 18 P HA 0.123 nan 4.420 nan 0.000 0.268 18 P C 0.844 178.101 177.300 -0.071 0.000 1.204 18 P CA -0.088 63.031 63.100 0.031 0.000 0.768 18 P CB 0.629 32.340 31.700 0.019 0.000 0.842 19 S N 1.321 116.989 115.700 -0.053 0.000 2.507 19 S HA -0.159 4.312 4.470 0.001 0.000 0.235 19 S C 1.087 175.576 174.600 -0.186 0.000 0.988 19 S CA 0.806 58.952 58.200 -0.089 0.000 0.944 19 S CB -0.990 62.224 63.200 0.022 0.000 0.762 19 S HN 0.591 nan 8.310 nan 0.000 0.526 20 N N -0.184 118.425 118.700 -0.152 0.000 2.370 20 N HA 0.044 4.784 4.740 0.001 0.000 0.198 20 N C -0.515 174.846 175.510 -0.250 0.000 1.156 20 N CA -0.320 52.642 53.050 -0.146 0.000 0.839 20 N CB -0.417 38.045 38.487 -0.041 0.000 0.989 20 N HN 0.481 nan 8.380 nan 0.000 0.468 21 Y N 0.935 120.833 120.300 -0.670 0.000 2.345 21 Y HA 0.362 4.913 4.550 0.000 0.000 0.331 21 Y C -1.128 174.121 175.900 -1.085 0.000 0.959 21 Y CA -2.045 55.688 58.100 -0.613 0.000 1.204 21 Y CB 0.573 38.816 38.460 -0.361 0.000 1.135 21 Y HN 0.181 nan 8.280 nan 0.000 0.477 22 H N 5.218 123.801 119.070 -0.811 0.000 2.379 22 H HA 0.154 4.710 4.556 0.001 0.000 0.229 22 H C -1.255 173.587 175.328 -0.811 0.000 1.423 22 H CA -0.654 54.475 56.048 -1.532 0.000 1.375 22 H CB 0.001 28.949 29.762 -1.356 0.000 1.592 22 H HN 0.640 nan 8.280 nan 0.000 0.507 23 Y N 1.118 121.062 120.300 -0.594 0.000 2.620 23 Y HA 0.147 4.697 4.550 0.001 0.000 0.330 23 Y C -0.344 175.683 175.900 0.211 0.000 1.186 23 Y CA -0.106 57.891 58.100 -0.173 0.000 1.467 23 Y CB 0.350 38.702 38.460 -0.180 0.000 1.262 23 Y HN 0.481 nan 8.280 nan 0.000 0.550 24 c N 9.366 127.705 118.600 -0.435 0.000 2.455 24 c HA 0.286 4.857 4.570 0.001 0.000 0.320 24 c C -1.052 172.619 174.090 -0.699 0.000 1.226 24 c CA -1.218 54.938 56.329 -0.288 0.000 1.569 24 c CB 1.814 44.329 42.510 0.008 0.000 2.200 24 c HN 0.743 nan 8.230 nan 0.000 0.491 25 P HA -0.146 nan 4.420 nan 0.000 0.216 25 P C 1.377 178.674 177.300 -0.004 0.000 1.153 25 P CA 1.732 64.794 63.100 -0.063 0.000 0.858 25 P CB -0.020 31.739 31.700 0.097 0.000 0.789 26 S N -1.037 114.734 115.700 0.119 0.000 2.660 26 S HA -0.047 4.424 4.470 0.001 0.000 0.228 26 S C 1.754 176.593 174.600 0.398 0.000 0.966 26 S CA 0.773 59.155 58.200 0.304 0.000 0.940 26 S CB -1.430 62.070 63.200 0.500 0.000 0.773 26 S HN 0.253 nan 8.310 nan 0.000 0.535 27 S N 1.988 117.730 115.700 0.070 0.000 2.447 27 S HA -0.080 4.391 4.470 0.001 0.000 0.233 27 S C 1.709 176.333 174.600 0.040 0.000 1.006 27 S CA 0.767 58.910 58.200 -0.094 0.000 0.957 27 S CB -0.822 62.175 63.200 -0.338 0.000 0.773 27 S HN 0.753 nan 8.310 nan 0.000 0.507 28 S N 0.402 116.159 115.700 0.095 0.000 2.634 28 S HA 0.153 4.623 4.470 0.001 0.000 0.221 28 S C 0.081 174.754 174.600 0.122 0.000 0.952 28 S CA -0.334 57.934 58.200 0.114 0.000 0.930 28 S CB -0.373 62.899 63.200 0.121 0.000 0.780 28 S HN 0.401 nan 8.310 nan 0.000 0.498 29 D N 1.703 122.222 120.400 0.199 0.000 2.365 29 D HA 0.226 4.866 4.640 0.001 0.000 0.237 29 D C 0.921 177.233 176.300 0.020 0.000 1.190 29 D CA -0.330 53.723 54.000 0.089 0.000 0.867 29 D CB 0.644 41.457 40.800 0.021 0.000 1.050 29 D HN 0.225 nan 8.370 nan 0.000 0.491 30 L N 3.567 124.685 121.223 -0.175 0.000 2.362 30 L HA -0.092 4.248 4.340 0.001 0.000 0.219 30 L C 2.029 178.473 176.870 -0.709 0.000 1.134 30 L CA 0.289 54.849 54.840 -0.468 0.000 0.807 30 L CB -0.229 41.408 42.059 -0.703 0.000 0.927 30 L HN 0.421 nan 8.230 nan 0.000 0.447 31 N N 0.113 118.509 118.700 -0.507 0.000 2.205 31 N HA -0.191 4.549 4.740 0.001 0.000 0.186 31 N C 1.237 176.622 175.510 -0.210 0.000 1.015 31 N CA 1.829 54.639 53.050 -0.400 0.000 0.862 31 N CB -0.022 38.261 38.487 -0.340 0.000 0.986 31 N HN 0.630 nan 8.380 nan 0.000 0.429 32 W N -0.918 120.159 121.300 -0.370 0.000 2.079 32 W HA 0.350 5.010 4.660 -0.001 0.000 0.285 32 W C -0.548 175.593 176.519 -0.630 0.000 0.891 32 W CA -0.383 56.690 57.345 -0.454 0.000 1.308 32 W CB -0.941 28.226 29.460 -0.488 0.000 1.047 32 W HN -0.128 nan 8.180 nan 0.000 0.522 33 H N 2.114 121.275 119.070 0.151 0.000 2.866 33 H HA 0.457 5.014 4.556 0.001 0.000 0.287 33 H C -1.081 174.205 175.328 -0.071 0.000 1.106 33 H CA -0.222 55.819 56.048 -0.011 0.000 1.396 33 H CB 0.794 30.549 29.762 -0.012 0.000 1.469 33 H HN -0.103 nan 8.280 nan 0.000 0.500 34 N N 1.543 120.260 118.700 0.028 0.000 2.406 34 N HA 0.041 4.781 4.740 0.001 0.000 0.283 34 N C -0.152 175.361 175.510 0.005 0.000 1.074 34 N CA -0.418 52.607 53.050 -0.041 0.000 0.916 34 N CB 1.825 40.210 38.487 -0.171 0.000 1.639 34 N HN 0.270 nan 8.380 nan 0.000 0.485 35 D N 0.935 121.342 120.400 0.012 0.000 2.378 35 D HA 0.114 4.754 4.640 0.001 0.000 0.227 35 D C 0.242 176.561 176.300 0.032 0.000 1.012 35 D CA 0.808 54.821 54.000 0.023 0.000 0.905 35 D CB 0.270 41.084 40.800 0.024 0.000 0.895 35 D HN 0.377 nan 8.370 nan 0.000 0.532 36 L N 0.298 121.547 121.223 0.044 0.000 2.352 36 L HA 0.479 4.819 4.340 0.001 0.000 0.269 36 L C 0.100 177.066 176.870 0.159 0.000 1.034 36 L CA -0.844 54.052 54.840 0.093 0.000 0.806 36 L CB 1.733 43.867 42.059 0.126 0.000 1.244 36 L HN -0.244 nan 8.230 nan 0.000 0.447 37 I N 0.587 121.220 120.570 0.105 0.000 2.433 37 I HA 0.421 4.592 4.170 0.001 0.000 0.292 37 I C 0.352 176.394 176.117 -0.125 0.000 1.001 37 I CA -0.438 60.886 61.300 0.039 0.000 1.119 37 I CB 1.958 39.948 38.000 -0.017 0.000 1.289 37 I HN 0.585 nan 8.210 nan 0.000 0.438 38 G N 3.343 111.977 108.800 -0.277 0.000 2.348 38 G HA2 0.654 4.614 3.960 0.001 0.000 0.312 38 G HA3 0.654 4.614 3.960 0.001 0.000 0.312 38 G C -0.426 174.227 174.900 -0.411 0.000 1.126 38 G CA -0.227 44.392 45.100 -0.802 0.000 0.865 38 G HN 0.602 nan 8.290 nan 0.000 0.474 39 T N -1.264 113.082 114.554 -0.347 0.000 2.906 39 T HA 0.726 5.077 4.350 0.001 0.000 0.295 39 T C -0.016 174.623 174.700 -0.103 0.000 1.075 39 T CA -0.540 61.471 62.100 -0.148 0.000 1.005 39 T CB 1.934 70.778 68.868 -0.040 0.000 1.136 39 T HN 1.044 nan 8.240 nan 0.000 0.498 40 A N 1.952 124.734 122.820 -0.063 0.000 2.409 40 A HA 0.635 4.955 4.320 0.001 0.000 0.262 40 A C -0.077 177.498 177.584 -0.014 0.000 1.113 40 A CA -0.749 51.261 52.037 -0.046 0.000 0.790 40 A CB -0.291 18.686 19.000 -0.039 0.000 1.046 40 A HN 0.963 nan 8.150 nan 0.000 0.496 41 I N 2.406 122.967 120.570 -0.015 0.000 2.389 41 I HA 0.202 4.372 4.170 0.001 0.000 0.288 41 I C -0.252 175.830 176.117 -0.058 0.000 0.999 41 I CA -0.479 60.808 61.300 -0.022 0.000 1.129 41 I CB 1.271 39.269 38.000 -0.004 0.000 1.288 41 I HN 0.655 nan 8.210 nan 0.000 0.444 42 Q N 5.759 125.532 119.800 -0.044 0.000 2.293 42 Q HA 0.373 4.713 4.340 0.001 0.000 0.263 42 Q C -1.129 174.827 176.000 -0.073 0.000 1.002 42 Q CA 0.023 55.797 55.803 -0.049 0.000 0.910 42 Q CB 1.714 30.436 28.738 -0.028 0.000 1.185 42 Q HN 0.518 nan 8.270 nan 0.000 0.401 43 V N 2.971 122.830 119.914 -0.093 0.000 3.167 43 V HA 0.520 4.640 4.120 0.001 0.000 0.310 43 V C -0.910 175.133 176.094 -0.084 0.000 1.207 43 V CA -0.905 61.325 62.300 -0.117 0.000 1.059 43 V CB 2.852 34.529 31.823 -0.245 0.000 1.079 43 V HN 0.625 nan 8.190 nan 0.000 0.446 44 K N 1.732 122.085 120.400 -0.078 0.000 2.482 44 K HA 0.733 5.053 4.320 0.001 0.000 0.251 44 K C -1.459 175.143 176.600 0.004 0.000 0.936 44 K CA -0.498 55.760 56.287 -0.048 0.000 0.791 44 K CB 2.204 34.670 32.500 -0.056 0.000 1.213 44 K HN 0.542 nan 8.250 nan 0.000 0.428 45 M N 2.714 122.331 119.600 0.028 0.000 2.602 45 M HA 0.426 4.906 4.480 0.001 0.000 0.312 45 M C -2.523 173.839 176.300 0.103 0.000 1.181 45 M CA -2.279 53.081 55.300 0.100 0.000 0.910 45 M CB 2.070 34.707 32.600 0.062 0.000 1.723 45 M HN 0.205 nan 8.290 nan 0.000 0.459 46 P HA 0.124 nan 4.420 nan 0.000 0.271 46 P C -1.166 176.225 177.300 0.151 0.000 1.220 46 P CA -0.117 63.069 63.100 0.144 0.000 0.768 46 P CB 0.422 32.147 31.700 0.042 0.000 0.848 47 K N 2.545 123.029 120.400 0.141 0.000 2.258 47 K HA 0.227 4.547 4.320 0.001 0.000 0.284 47 K C 0.361 177.154 176.600 0.321 0.000 1.051 47 K CA -0.337 56.029 56.287 0.133 0.000 0.923 47 K CB 0.493 33.023 32.500 0.050 0.000 1.046 47 K HN 0.371 nan 8.250 nan 0.000 0.474 48 S N 2.860 118.697 115.700 0.229 0.000 2.554 48 S HA -0.059 4.412 4.470 0.001 0.000 0.290 48 S C -0.777 173.999 174.600 0.293 0.000 1.309 48 S CA 0.331 58.646 58.200 0.191 0.000 1.047 48 S CB -0.027 63.169 63.200 -0.007 0.000 0.828 48 S HN 0.798 nan 8.310 nan 0.000 0.509 49 H N 0.023 119.156 119.070 0.105 0.000 3.043 49 H HA 0.498 5.055 4.556 0.001 0.000 0.317 49 H C -1.271 174.115 175.328 0.097 0.000 1.321 49 H CA -1.193 54.910 56.048 0.091 0.000 1.243 49 H CB 0.358 30.177 29.762 0.094 0.000 1.924 49 H HN 0.472 nan 8.280 nan 0.000 0.527 50 K N 0.915 121.380 120.400 0.107 0.000 2.202 50 K HA 0.546 4.866 4.320 0.001 0.000 0.264 50 K C 0.149 176.795 176.600 0.075 0.000 1.010 50 K CA -0.061 56.253 56.287 0.046 0.000 0.940 50 K CB 0.813 33.336 32.500 0.037 0.000 0.983 50 K HN 0.713 nan 8.250 nan 0.000 0.475 51 A N 3.427 126.273 122.820 0.043 0.000 2.598 51 A HA -0.054 4.266 4.320 0.001 0.000 0.239 51 A C 0.188 177.819 177.584 0.079 0.000 1.032 51 A CA 0.255 52.326 52.037 0.057 0.000 0.760 51 A CB -0.584 18.444 19.000 0.047 0.000 0.946 51 A HN 0.647 nan 8.150 nan 0.000 0.512 52 I N 2.799 123.424 120.570 0.092 0.000 2.618 52 I HA 0.032 4.202 4.170 0.001 0.000 0.284 52 I C 0.741 176.909 176.117 0.084 0.000 1.146 52 I CA 0.310 61.663 61.300 0.089 0.000 1.425 52 I CB 0.333 38.375 38.000 0.070 0.000 1.383 52 I HN 0.654 nan 8.210 nan 0.000 0.562 53 Q N 4.922 124.770 119.800 0.079 0.000 2.257 53 Q HA 0.759 5.100 4.340 0.001 0.000 0.262 53 Q C -0.797 175.301 176.000 0.163 0.000 0.997 53 Q CA -0.861 54.999 55.803 0.095 0.000 0.873 53 Q CB 2.559 31.295 28.738 -0.004 0.000 1.312 53 Q HN 0.774 nan 8.270 nan 0.000 0.450 54 A N 2.013 124.980 122.820 0.245 0.000 2.375 54 A HA 0.353 4.673 4.320 0.001 0.000 0.295 54 A C -0.996 176.765 177.584 0.296 0.000 1.066 54 A CA -0.798 51.437 52.037 0.330 0.000 0.722 54 A CB 0.872 20.208 19.000 0.561 0.000 1.206 54 A HN 0.583 nan 8.150 nan 0.000 0.435 55 D N 1.576 122.109 120.400 0.223 0.000 2.425 55 D HA 0.459 5.100 4.640 0.001 0.000 0.247 55 D C 0.605 176.888 176.300 -0.027 0.000 1.147 55 D CA 1.274 55.322 54.000 0.080 0.000 0.879 55 D CB 1.666 42.469 40.800 0.006 0.000 1.179 55 D HN 0.769 nan 8.370 nan 0.000 0.456 56 G N 0.910 109.636 108.800 -0.123 0.000 2.827 56 G HA2 0.579 4.539 3.960 0.001 0.000 0.296 56 G HA3 0.579 4.539 3.960 0.001 0.000 0.296 56 G C -1.938 172.545 174.900 -0.696 0.000 1.362 56 G CA -0.920 43.879 45.100 -0.501 0.000 0.809 56 G HN 0.400 nan 8.290 nan 0.000 0.522 57 W N 0.129 121.082 121.300 -0.577 0.000 2.781 57 W HA 0.595 5.255 4.660 0.000 0.000 0.333 57 W C -0.071 176.289 176.519 -0.264 0.000 1.047 57 W CA -0.804 56.355 57.345 -0.310 0.000 1.236 57 W CB 1.943 31.201 29.460 -0.337 0.000 1.394 57 W HN 0.091 nan 8.180 nan 0.000 0.466 58 M N 3.381 123.081 119.600 0.168 0.000 2.188 58 M HA 0.168 4.648 4.480 0.001 0.000 0.354 58 M C -0.209 176.137 176.300 0.076 0.000 1.342 58 M CA -0.058 55.321 55.300 0.131 0.000 1.117 58 M CB 0.891 33.510 32.600 0.032 0.000 1.670 58 M HN 0.572 nan 8.290 nan 0.000 0.466 59 c N 6.305 124.953 118.600 0.081 0.000 2.271 59 c HA 0.466 5.037 4.570 0.001 0.000 0.323 59 c C -0.341 173.778 174.090 0.047 0.000 1.245 59 c CA -0.381 55.943 56.329 -0.007 0.000 1.548 59 c CB -0.128 42.317 42.510 -0.108 0.000 2.214 59 c HN 0.848 nan 8.230 nan 0.000 0.477 60 H N 4.190 123.210 119.070 -0.084 0.000 2.529 60 H HA 0.672 5.228 4.556 0.000 0.000 0.348 60 H C -0.777 174.502 175.328 -0.081 0.000 1.079 60 H CA -0.050 55.953 56.048 -0.075 0.000 1.198 60 H CB 1.931 31.664 29.762 -0.049 0.000 1.521 60 H HN 0.848 nan 8.280 nan 0.000 0.514 61 A N 3.576 125.993 122.820 -0.671 0.000 2.355 61 A HA 0.640 4.960 4.320 0.001 0.000 0.324 61 A C -0.844 176.436 177.584 -0.507 0.000 1.117 61 A CA -0.581 51.130 52.037 -0.543 0.000 0.785 61 A CB 1.556 20.101 19.000 -0.759 0.000 1.254 61 A HN 0.604 nan 8.150 nan 0.000 0.453 62 S N 0.352 116.081 115.700 0.047 0.000 2.546 62 S HA 0.425 4.895 4.470 0.001 0.000 0.274 62 S C -0.870 174.079 174.600 0.582 0.000 1.121 62 S CA -0.643 57.755 58.200 0.329 0.000 0.887 62 S CB 1.667 65.073 63.200 0.343 0.000 1.094 62 S HN 0.632 nan 8.310 nan 0.000 0.474 63 K N 1.983 122.661 120.400 0.463 0.000 2.253 63 K HA 0.257 4.577 4.320 0.001 0.000 0.277 63 K C -1.577 175.214 176.600 0.318 0.000 1.053 63 K CA -0.381 56.088 56.287 0.304 0.000 0.892 63 K CB 0.489 33.026 32.500 0.061 0.000 1.102 63 K HN 0.497 nan 8.250 nan 0.000 0.469 64 W N 3.785 125.099 121.300 0.025 0.000 2.335 64 W HA 0.277 4.937 4.660 0.001 0.000 0.307 64 W C -0.423 176.198 176.519 0.170 0.000 1.117 64 W CA -0.517 56.833 57.345 0.008 0.000 1.228 64 W CB 1.091 30.359 29.460 -0.320 0.000 1.240 64 W HN 0.070 nan 8.180 nan 0.000 0.468 65 V N 3.753 123.947 119.914 0.467 0.000 2.448 65 V HA 0.416 4.537 4.120 0.001 0.000 0.295 65 V C -0.052 176.220 176.094 0.297 0.000 1.025 65 V CA -0.836 61.651 62.300 0.311 0.000 0.859 65 V CB 1.712 33.636 31.823 0.168 0.000 0.988 65 V HN 0.418 nan 8.190 nan 0.000 0.431 66 T N 3.462 118.153 114.554 0.227 0.000 2.749 66 T HA 0.356 4.707 4.350 0.001 0.000 0.287 66 T C 0.132 174.870 174.700 0.062 0.000 0.970 66 T CA -0.159 62.005 62.100 0.107 0.000 0.980 66 T CB 0.803 69.742 68.868 0.118 0.000 0.924 66 T HN 0.670 nan 8.240 nan 0.000 0.456 67 T N 2.727 117.296 114.554 0.024 0.000 2.756 67 T HA 0.260 4.610 4.350 0.001 0.000 0.290 67 T C -0.051 174.664 174.700 0.025 0.000 0.985 67 T CA -0.453 61.665 62.100 0.030 0.000 0.955 67 T CB 0.322 69.205 68.868 0.025 0.000 0.930 67 T HN 0.722 nan 8.240 nan 0.000 0.451 68 c N 5.337 123.961 118.600 0.039 0.000 2.200 68 c HA 0.272 4.842 4.570 0.001 0.000 0.328 68 c C 0.542 174.681 174.090 0.081 0.000 1.148 68 c CA -0.953 55.400 56.329 0.039 0.000 1.624 68 c CB -1.268 41.262 42.510 0.034 0.000 2.167 68 c HN 0.835 nan 8.230 nan 0.000 0.484 69 D N 4.891 125.348 120.400 0.095 0.000 2.435 69 D HA 0.065 4.705 4.640 0.001 0.000 0.230 69 D C -0.385 176.018 176.300 0.173 0.000 1.215 69 D CA -0.122 53.961 54.000 0.140 0.000 0.947 69 D CB 0.013 40.907 40.800 0.157 0.000 1.048 69 D HN 0.671 nan 8.370 nan 0.000 0.512 70 F N 4.925 124.874 119.950 -0.001 0.000 2.405 70 F HA 0.206 4.733 4.527 0.000 0.000 0.358 70 F C 0.886 176.633 175.800 -0.088 0.000 1.151 70 F CA -1.184 56.790 58.000 -0.044 0.000 1.161 70 F CB 0.337 39.334 39.000 -0.006 0.000 1.245 70 F HN 0.035 nan 8.300 nan 0.000 0.545 71 R N 5.794 126.420 120.500 0.211 0.000 2.734 71 R HA -0.137 4.204 4.340 0.001 0.000 0.266 71 R C 1.270 177.445 176.300 -0.209 0.000 1.044 71 R CA -0.078 55.952 56.100 -0.117 0.000 1.128 71 R CB 0.239 30.178 30.300 -0.603 0.000 1.010 71 R HN 0.861 nan 8.270 nan 0.000 0.461 72 W N 3.445 124.594 121.300 -0.252 0.000 2.402 72 W HA -0.177 4.483 4.660 0.000 0.000 0.286 72 W C 0.676 177.168 176.519 -0.045 0.000 1.221 72 W CA 0.575 57.726 57.345 -0.323 0.000 1.257 72 W CB -0.542 28.809 29.460 -0.181 0.000 1.120 72 W HN 0.632 nan 8.180 nan 0.000 0.551 73 Y N 0.597 120.480 120.300 -0.696 0.000 2.718 73 Y HA 0.622 5.172 4.550 0.001 0.000 0.322 73 Y C 1.264 177.042 175.900 -0.203 0.000 1.122 73 Y CA -0.597 57.106 58.100 -0.662 0.000 1.348 73 Y CB -0.540 37.150 38.460 -1.283 0.000 1.174 73 Y HN 0.132 nan 8.280 nan 0.000 0.523 74 G N 0.013 108.753 108.800 -0.100 0.000 3.626 74 G HA2 -0.234 3.727 3.960 0.001 0.000 0.241 74 G HA3 -0.234 3.727 3.960 0.001 0.000 0.241 74 G C -2.308 172.566 174.900 -0.045 0.000 1.824 74 G CA -0.552 44.567 45.100 0.033 0.000 1.511 74 G HN 0.324 nan 8.290 nan 0.000 0.600 75 P HA 0.324 nan 4.420 nan 0.000 0.261 75 P C -0.414 176.600 177.300 -0.476 0.000 1.183 75 P CA 0.594 63.438 63.100 -0.427 0.000 0.761 75 P CB 0.455 31.847 31.700 -0.513 0.000 0.785 76 K N 3.477 123.551 120.400 -0.543 0.000 2.276 76 K HA 0.234 4.554 4.320 0.001 0.000 0.285 76 K C -0.614 175.669 176.600 -0.529 0.000 1.062 76 K CA -0.258 55.735 56.287 -0.489 0.000 0.918 76 K CB 0.416 32.600 32.500 -0.526 0.000 1.055 76 K HN 0.409 nan 8.250 nan 0.000 0.477 77 Y N 3.095 123.329 120.300 -0.109 0.000 2.353 77 Y HA 0.329 4.879 4.550 0.000 0.000 0.340 77 Y C 0.165 176.023 175.900 -0.070 0.000 0.972 77 Y CA -0.628 57.425 58.100 -0.079 0.000 1.157 77 Y CB 0.719 39.146 38.460 -0.055 0.000 1.157 77 Y HN 0.346 nan 8.280 nan 0.000 0.495 78 I N 3.958 124.555 120.570 0.046 0.000 2.378 78 I HA 0.458 4.629 4.170 0.001 0.000 0.291 78 I C -0.294 175.810 176.117 -0.021 0.000 0.992 78 I CA -0.428 60.868 61.300 -0.007 0.000 1.154 78 I CB 1.711 39.679 38.000 -0.054 0.000 1.315 78 I HN 0.611 nan 8.210 nan 0.000 0.448 79 T N 1.872 116.401 114.554 -0.042 0.000 2.906 79 T HA 0.622 4.972 4.350 0.001 0.000 0.295 79 T C -0.776 173.827 174.700 -0.162 0.000 1.061 79 T CA -0.943 61.105 62.100 -0.086 0.000 1.000 79 T CB 1.970 70.809 68.868 -0.048 0.000 1.103 79 T HN 0.495 nan 8.240 nan 0.000 0.486 80 Q N 0.998 120.633 119.800 -0.274 0.000 2.340 80 Q HA 0.679 5.019 4.340 0.001 0.000 0.268 80 Q C -0.840 175.001 176.000 -0.264 0.000 1.031 80 Q CA -0.814 54.690 55.803 -0.499 0.000 0.804 80 Q CB 2.224 30.178 28.738 -1.306 0.000 1.286 80 Q HN 0.980 nan 8.270 nan 0.000 0.448 81 S N 1.699 117.384 115.700 -0.026 0.000 2.569 81 S HA 0.766 5.236 4.470 0.001 0.000 0.280 81 S C -0.866 173.830 174.600 0.161 0.000 1.111 81 S CA -0.755 57.485 58.200 0.068 0.000 0.887 81 S CB 1.145 64.361 63.200 0.028 0.000 1.095 81 S HN 0.518 nan 8.310 nan 0.000 0.476 82 I N 1.531 122.107 120.570 0.010 0.000 2.410 82 I HA 0.449 4.619 4.170 0.001 0.000 0.286 82 I C -0.302 175.801 176.117 -0.023 0.000 1.009 82 I CA -0.642 60.583 61.300 -0.125 0.000 1.111 82 I CB 1.863 39.623 38.000 -0.399 0.000 1.262 82 I HN 0.566 nan 8.210 nan 0.000 0.443 83 R N 4.215 124.738 120.500 0.038 0.000 2.246 83 R HA 0.428 4.768 4.340 0.001 0.000 0.332 83 R C -0.319 176.075 176.300 0.156 0.000 0.974 83 R CA -0.492 55.658 56.100 0.084 0.000 0.837 83 R CB 1.622 31.967 30.300 0.075 0.000 1.145 83 R HN 0.491 nan 8.270 nan 0.000 0.467 84 S N 3.109 118.895 115.700 0.144 0.000 2.572 84 S HA 0.400 4.870 4.470 0.001 0.000 0.279 84 S C -0.571 174.167 174.600 0.231 0.000 1.341 84 S CA -0.087 58.206 58.200 0.155 0.000 1.043 84 S CB 0.228 63.528 63.200 0.166 0.000 0.887 84 S HN 0.454 nan 8.310 nan 0.000 0.516 85 F N 0.497 120.422 119.950 -0.041 0.000 2.773 85 F HA 0.521 5.048 4.527 0.001 0.000 0.314 85 F C -0.666 175.113 175.800 -0.035 0.000 1.160 85 F CA -0.971 57.019 58.000 -0.018 0.000 0.920 85 F CB 1.172 40.172 39.000 -0.000 0.000 1.323 85 F HN 0.356 nan 8.300 nan 0.000 0.457 86 T N 4.322 118.808 114.554 -0.112 0.000 2.729 86 T HA 0.578 4.928 4.350 0.001 0.000 0.296 86 T C -2.592 171.945 174.700 -0.271 0.000 0.928 86 T CA -1.411 60.574 62.100 -0.191 0.000 1.045 86 T CB 0.301 69.178 68.868 0.015 0.000 0.902 86 T HN 0.617 nan 8.240 nan 0.000 0.500 87 P HA 0.333 nan 4.420 nan 0.000 0.287 87 P C -0.313 176.965 177.300 -0.036 0.000 1.270 87 P CA -0.616 62.358 63.100 -0.211 0.000 0.844 87 P CB 1.056 32.581 31.700 -0.292 0.000 1.068 88 S N 0.588 116.304 115.700 0.027 0.000 2.580 88 S HA 0.018 4.488 4.470 0.001 0.000 0.266 88 S C 1.552 176.167 174.600 0.026 0.000 1.354 88 S CA -0.036 58.186 58.200 0.036 0.000 1.008 88 S CB -0.104 63.123 63.200 0.045 0.000 0.898 88 S HN 0.436 nan 8.310 nan 0.000 0.555 89 V N -1.118 118.828 119.914 0.052 0.000 2.515 89 V HA -0.055 4.066 4.120 0.001 0.000 0.250 89 V C 2.340 178.448 176.094 0.023 0.000 1.058 89 V CA 2.072 64.426 62.300 0.091 0.000 1.064 89 V CB -1.406 30.496 31.823 0.131 0.000 0.675 89 V HN 0.941 nan 8.190 nan 0.000 0.461 90 E N 1.027 121.233 120.200 0.011 0.000 2.110 90 E HA -0.230 4.120 4.350 0.001 0.000 0.193 90 E C 2.254 178.829 176.600 -0.041 0.000 0.988 90 E CA 1.924 58.317 56.400 -0.013 0.000 0.804 90 E CB -0.509 29.191 29.700 -0.000 0.000 0.745 90 E HN 0.791 nan 8.360 nan 0.000 0.458 91 Q N -1.033 118.746 119.800 -0.035 0.000 2.123 91 Q HA -0.089 4.251 4.340 0.001 0.000 0.199 91 Q C 2.390 178.321 176.000 -0.115 0.000 0.966 91 Q CA 1.382 57.157 55.803 -0.047 0.000 0.845 91 Q CB -0.117 28.614 28.738 -0.012 0.000 0.907 91 Q HN 0.386 nan 8.270 nan 0.000 0.439 92 c N 0.752 119.249 118.600 -0.172 0.000 2.453 92 c HA -0.099 4.472 4.570 0.001 0.000 0.277 92 c C 2.417 176.263 174.090 -0.407 0.000 1.262 92 c CA 0.636 56.753 56.329 -0.354 0.000 1.718 92 c CB -0.568 41.612 42.510 -0.549 0.000 2.031 92 c HN 0.465 nan 8.230 nan 0.000 0.480 93 K N 0.693 120.923 120.400 -0.283 0.000 2.032 93 K HA -0.223 4.097 4.320 0.001 0.000 0.209 93 K C 1.964 178.434 176.600 -0.216 0.000 1.048 93 K CA 1.886 58.034 56.287 -0.231 0.000 0.927 93 K CB -0.296 32.140 32.500 -0.107 0.000 0.712 93 K HN 0.478 nan 8.250 nan 0.000 0.441 94 E N 0.958 121.067 120.200 -0.152 0.000 2.070 94 E HA -0.179 4.171 4.350 0.001 0.000 0.197 94 E C 1.820 178.345 176.600 -0.125 0.000 1.004 94 E CA 2.053 58.388 56.400 -0.109 0.000 0.805 94 E CB -0.083 29.582 29.700 -0.059 0.000 0.744 94 E HN 0.090 nan 8.360 nan 0.000 0.451 95 S N -0.392 115.210 115.700 -0.163 0.000 2.383 95 S HA -0.048 4.422 4.470 0.001 0.000 0.227 95 S C 1.931 176.284 174.600 -0.413 0.000 1.026 95 S CA 1.090 59.183 58.200 -0.179 0.000 0.981 95 S CB -0.274 62.781 63.200 -0.241 0.000 0.818 95 S HN 0.293 nan 8.310 nan 0.000 0.472 96 I N 1.715 121.948 120.570 -0.561 0.000 2.179 96 I HA -0.187 3.983 4.170 0.001 0.000 0.242 96 I C 2.513 178.283 176.117 -0.579 0.000 1.088 96 I CA 1.217 62.001 61.300 -0.860 0.000 1.357 96 I CB -0.445 36.985 38.000 -0.950 0.000 1.051 96 I HN 0.303 nan 8.210 nan 0.000 0.409 97 E N 0.611 120.604 120.200 -0.345 0.000 2.058 97 E HA -0.292 4.058 4.350 0.001 0.000 0.194 97 E C 2.239 178.747 176.600 -0.153 0.000 0.997 97 E CA 1.360 57.635 56.400 -0.208 0.000 0.801 97 E CB -0.206 29.413 29.700 -0.135 0.000 0.746 97 E HN 0.595 nan 8.360 nan 0.000 0.450 98 Q N -0.165 119.566 119.800 -0.115 0.000 2.084 98 Q HA -0.147 4.194 4.340 0.001 0.000 0.202 98 Q C 2.479 178.478 176.000 -0.002 0.000 0.978 98 Q CA 1.919 57.714 55.803 -0.012 0.000 0.844 98 Q CB -0.275 28.532 28.738 0.116 0.000 0.898 98 Q HN 0.306 nan 8.270 nan 0.000 0.426 99 T N -0.558 113.934 114.554 -0.104 0.000 2.951 99 T HA -0.078 4.272 4.350 0.001 0.000 0.268 99 T C 1.674 176.330 174.700 -0.073 0.000 1.073 99 T CA 0.911 62.959 62.100 -0.086 0.000 1.134 99 T CB 0.036 68.757 68.868 -0.245 0.000 0.884 99 T HN 0.087 nan 8.240 nan 0.000 0.479 100 K N 0.337 120.648 120.400 -0.148 0.000 2.147 100 K HA -0.003 4.317 4.320 0.001 0.000 0.205 100 K C 2.546 179.140 176.600 -0.010 0.000 1.049 100 K CA 1.369 57.626 56.287 -0.049 0.000 0.936 100 K CB -0.046 32.403 32.500 -0.085 0.000 0.722 100 K HN 0.506 nan 8.250 nan 0.000 0.446 101 Q N -1.073 118.713 119.800 -0.023 0.000 2.451 101 Q HA 0.048 4.389 4.340 0.001 0.000 0.206 101 Q C 0.794 176.803 176.000 0.014 0.000 0.947 101 Q CA 0.536 56.336 55.803 -0.004 0.000 0.937 101 Q CB 0.744 29.473 28.738 -0.014 0.000 1.025 101 Q HN 0.498 nan 8.270 nan 0.000 0.511 102 G N 0.243 109.061 108.800 0.029 0.000 2.148 102 G HA2 -0.302 3.658 3.960 0.001 0.000 0.254 102 G HA3 -0.302 3.658 3.960 0.001 0.000 0.254 102 G C 0.794 175.725 174.900 0.052 0.000 0.981 102 G CA 0.802 45.932 45.100 0.049 0.000 0.670 102 G HN 0.366 nan 8.290 nan 0.000 0.528 103 T N -1.273 113.310 114.554 0.048 0.000 3.009 103 T HA 0.074 4.424 4.350 0.001 0.000 0.258 103 T C 1.079 175.796 174.700 0.028 0.000 1.063 103 T CA 0.603 62.716 62.100 0.021 0.000 1.139 103 T CB 0.056 68.923 68.868 -0.001 0.000 0.890 103 T HN 0.456 nan 8.240 nan 0.000 0.471 104 W N 3.478 124.729 121.300 -0.083 0.000 2.295 104 W HA 0.361 5.021 4.660 0.001 0.000 0.335 104 W C -0.697 175.775 176.519 -0.079 0.000 1.351 104 W CA -0.485 56.803 57.345 -0.094 0.000 1.273 104 W CB 0.126 29.518 29.460 -0.114 0.000 1.214 104 W HN 0.123 nan 8.180 nan 0.000 0.563 105 L N 4.413 125.100 121.223 -0.892 0.000 2.434 105 L HA 0.504 4.845 4.340 0.001 0.000 0.260 105 L C -0.911 175.102 176.870 -1.428 0.000 0.983 105 L CA -1.209 53.160 54.840 -0.785 0.000 0.820 105 L CB 1.623 43.429 42.059 -0.423 0.000 1.361 105 L HN 0.415 nan 8.230 nan 0.000 0.410 106 N N 2.501 120.655 118.700 -0.910 0.000 2.420 106 N HA 0.468 5.208 4.740 0.001 0.000 0.249 106 N C -1.587 173.604 175.510 -0.532 0.000 1.033 106 N CA -1.938 50.671 53.050 -0.735 0.000 0.944 106 N CB 1.052 39.358 38.487 -0.303 0.000 1.113 106 N HN 0.662 nan 8.380 nan 0.000 0.502 107 P HA 0.161 nan 4.420 nan 0.000 0.237 107 P C 0.665 177.751 177.300 -0.357 0.000 1.178 107 P CA 0.370 63.241 63.100 -0.381 0.000 0.766 107 P CB -0.144 31.354 31.700 -0.336 0.000 0.876 108 G N 0.623 109.069 108.800 -0.591 0.000 2.598 108 G HA2 -0.257 3.704 3.960 0.001 0.000 0.244 108 G HA3 -0.257 3.704 3.960 0.001 0.000 0.244 108 G C -0.559 174.111 174.900 -0.382 0.000 1.302 108 G CA -0.569 44.187 45.100 -0.573 0.000 0.903 108 G HN 0.159 nan 8.290 nan 0.000 0.575 109 F N 2.512 122.576 119.950 0.189 0.000 2.529 109 F HA 0.429 4.956 4.527 0.001 0.000 0.365 109 F C -0.942 174.911 175.800 0.089 0.000 1.102 109 F CA -0.568 57.583 58.000 0.252 0.000 1.271 109 F CB 0.460 39.620 39.000 0.267 0.000 1.120 109 F HN 0.258 nan 8.300 nan 0.000 0.579 110 P HA 0.034 nan 4.420 nan 0.000 0.269 110 P C -2.490 174.886 177.300 0.127 0.000 1.217 110 P CA -0.886 62.294 63.100 0.133 0.000 0.783 110 P CB -0.301 31.473 31.700 0.124 0.000 0.898 111 P HA 0.035 nan 4.420 nan 0.000 0.271 111 P C -0.352 176.979 177.300 0.050 0.000 1.216 111 P CA -0.150 62.980 63.100 0.051 0.000 0.771 111 P CB 0.284 32.000 31.700 0.026 0.000 0.864 112 Q N 1.041 120.862 119.800 0.036 0.000 2.304 112 Q HA 0.097 4.437 4.340 0.001 0.000 0.301 112 Q C -0.404 175.613 176.000 0.028 0.000 1.063 112 Q CA 0.091 55.909 55.803 0.026 0.000 0.947 112 Q CB -0.041 28.695 28.738 -0.004 0.000 1.201 112 Q HN 0.264 nan 8.270 nan 0.000 0.389 113 S N 2.355 118.079 115.700 0.040 0.000 2.530 113 S HA 0.404 4.874 4.470 0.001 0.000 0.322 113 S C -1.147 173.495 174.600 0.070 0.000 1.085 113 S CA -0.754 57.475 58.200 0.050 0.000 1.096 113 S CB 0.528 63.759 63.200 0.050 0.000 0.988 113 S HN 0.686 nan 8.310 nan 0.000 0.466 114 c N 4.546 123.200 118.600 0.091 0.000 2.281 114 c HA 0.797 5.368 4.570 0.001 0.000 0.323 114 c C 0.922 175.176 174.090 0.273 0.000 1.270 114 c CA -0.767 55.663 56.329 0.169 0.000 1.559 114 c CB -0.005 42.561 42.510 0.094 0.000 2.239 114 c HN 0.962 nan 8.230 nan 0.000 0.488 115 G N 1.623 110.591 108.800 0.280 0.000 2.417 115 G HA2 0.414 4.375 3.960 0.001 0.000 0.320 115 G HA3 0.414 4.375 3.960 0.001 0.000 0.320 115 G C 0.117 175.080 174.900 0.105 0.000 1.204 115 G CA -0.149 45.070 45.100 0.198 0.000 0.923 115 G HN 0.780 nan 8.290 nan 0.000 0.466 116 Y N 2.914 123.095 120.300 -0.198 0.000 2.062 116 Y HA -0.251 4.299 4.550 0.000 0.000 0.276 116 Y C 2.184 177.731 175.900 -0.590 0.000 1.189 116 Y CA 2.525 60.188 58.100 -0.728 0.000 1.130 116 Y CB 0.130 38.320 38.460 -0.450 0.000 0.959 116 Y HN 0.494 nan 8.280 nan 0.000 0.499 117 A N -0.148 122.359 122.820 -0.521 0.000 2.713 117 A HA 0.501 4.821 4.320 0.001 0.000 0.296 117 A C -0.087 177.386 177.584 -0.185 0.000 1.255 117 A CA 0.345 52.085 52.037 -0.495 0.000 0.955 117 A CB -0.778 17.991 19.000 -0.386 0.000 1.149 117 A HN 0.384 nan 8.150 nan 0.000 0.538 118 T N -3.534 110.958 114.554 -0.102 0.000 2.894 118 T HA 0.532 4.882 4.350 0.001 0.000 0.309 118 T C -0.970 173.765 174.700 0.058 0.000 1.208 118 T CA -0.608 61.489 62.100 -0.005 0.000 1.016 118 T CB 1.511 70.383 68.868 0.007 0.000 1.192 118 T HN 0.178 nan 8.240 nan 0.000 0.491 119 V N 2.853 122.800 119.914 0.056 0.000 2.304 119 V HA 0.589 4.709 4.120 0.001 0.000 0.269 119 V C 0.775 176.904 176.094 0.058 0.000 1.036 119 V CA -0.420 61.921 62.300 0.068 0.000 0.840 119 V CB 0.261 32.119 31.823 0.058 0.000 1.036 119 V HN 1.198 nan 8.190 nan 0.000 0.466 120 T N 0.595 115.191 114.554 0.070 0.000 2.855 120 T HA 0.583 4.933 4.350 0.001 0.000 0.281 120 T C -0.766 173.967 174.700 0.055 0.000 1.007 120 T CA -0.862 61.273 62.100 0.059 0.000 1.009 120 T CB 1.939 70.845 68.868 0.064 0.000 0.983 120 T HN 0.425 nan 8.240 nan 0.000 0.455 121 D N 1.782 122.210 120.400 0.048 0.000 2.168 121 D HA 0.598 5.238 4.640 0.001 0.000 0.246 121 D C -0.539 175.793 176.300 0.054 0.000 1.050 121 D CA -0.262 53.769 54.000 0.051 0.000 0.857 121 D CB 1.766 42.594 40.800 0.046 0.000 1.169 121 D HN 0.895 nan 8.370 nan 0.000 0.453 122 A N 2.153 125.014 122.820 0.069 0.000 2.318 122 A HA 0.518 4.838 4.320 0.001 0.000 0.317 122 A C -0.144 177.499 177.584 0.098 0.000 1.159 122 A CA -0.782 51.298 52.037 0.071 0.000 0.799 122 A CB 0.736 19.778 19.000 0.070 0.000 1.194 122 A HN 0.575 nan 8.150 nan 0.000 0.479 123 E N 1.660 121.905 120.200 0.076 0.000 2.202 123 E HA 0.779 5.129 4.350 0.001 0.000 0.272 123 E C -0.570 176.073 176.600 0.072 0.000 0.951 123 E CA -0.876 55.577 56.400 0.088 0.000 0.813 123 E CB 1.998 31.726 29.700 0.046 0.000 1.151 123 E HN 0.764 nan 8.360 nan 0.000 0.398 124 A N 2.677 125.557 122.820 0.100 0.000 2.398 124 A HA 0.465 4.785 4.320 0.001 0.000 0.301 124 A C -0.999 176.626 177.584 0.069 0.000 1.041 124 A CA -0.834 51.224 52.037 0.034 0.000 0.711 124 A CB 1.694 20.670 19.000 -0.040 0.000 1.240 124 A HN 0.425 nan 8.150 nan 0.000 0.420 125 V N 3.650 123.591 119.914 0.045 0.000 2.432 125 V HA 0.330 4.450 4.120 0.001 0.000 0.271 125 V C -0.220 175.927 176.094 0.088 0.000 1.046 125 V CA 0.208 62.590 62.300 0.137 0.000 0.945 125 V CB 0.598 32.503 31.823 0.137 0.000 0.992 125 V HN 0.669 nan 8.190 nan 0.000 0.471 126 I N 5.502 126.155 120.570 0.139 0.000 2.410 126 I HA 0.366 4.536 4.170 0.001 0.000 0.286 126 I C -0.486 175.728 176.117 0.162 0.000 1.009 126 I CA -0.604 60.721 61.300 0.041 0.000 1.111 126 I CB 2.037 39.868 38.000 -0.281 0.000 1.262 126 I HN 0.271 nan 8.210 nan 0.000 0.443 127 V N 6.994 127.012 119.914 0.174 0.000 2.304 127 V HA 0.232 4.352 4.120 0.001 0.000 0.269 127 V C 0.181 176.346 176.094 0.118 0.000 1.036 127 V CA -0.564 61.791 62.300 0.092 0.000 0.840 127 V CB 0.823 32.658 31.823 0.021 0.000 1.036 127 V HN 0.779 nan 8.190 nan 0.000 0.466 128 Q N 3.829 123.649 119.800 0.033 0.000 2.205 128 Q HA 0.834 5.174 4.340 0.001 0.000 0.249 128 Q C -1.430 174.397 176.000 -0.288 0.000 0.948 128 Q CA -0.740 54.938 55.803 -0.210 0.000 0.895 128 Q CB 2.639 31.362 28.738 -0.024 0.000 1.249 128 Q HN 0.392 nan 8.270 nan 0.000 0.458 129 V N 1.586 121.219 119.914 -0.469 0.000 2.697 129 V HA 0.407 4.527 4.120 0.001 0.000 0.300 129 V C -1.396 174.646 176.094 -0.086 0.000 1.115 129 V CA -0.250 61.883 62.300 -0.279 0.000 0.912 129 V CB 2.597 34.145 31.823 -0.459 0.000 1.024 129 V HN 1.028 nan 8.190 nan 0.000 0.431 130 T N 7.758 122.372 114.554 0.101 0.000 2.824 130 T HA 0.519 4.869 4.350 0.001 0.000 0.282 130 T C -2.919 171.854 174.700 0.122 0.000 0.993 130 T CA -1.559 60.611 62.100 0.116 0.000 0.967 130 T CB 1.986 70.873 68.868 0.032 0.000 0.960 130 T HN 0.392 nan 8.240 nan 0.000 0.441 131 P HA 0.171 nan 4.420 nan 0.000 0.263 131 P C -0.832 176.380 177.300 -0.147 0.000 1.195 131 P CA 0.166 62.990 63.100 -0.460 0.000 0.762 131 P CB 0.098 31.532 31.700 -0.443 0.000 0.799 132 H N 1.827 120.768 119.070 -0.215 0.000 3.172 132 H HA 0.307 4.863 4.556 0.000 0.000 0.322 132 H C -0.313 175.068 175.328 0.088 0.000 1.003 132 H CA -0.715 55.305 56.048 -0.047 0.000 1.466 132 H CB 0.431 30.270 29.762 0.129 0.000 1.673 132 H HN 0.504 nan 8.280 nan 0.000 0.512 133 H N 2.903 121.851 119.070 -0.204 0.000 2.505 133 H HA 0.575 5.131 4.556 0.001 0.000 0.351 133 H C -0.251 174.971 175.328 -0.176 0.000 1.151 133 H CA -0.436 55.561 56.048 -0.084 0.000 1.339 133 H CB 0.937 30.638 29.762 -0.102 0.000 1.483 133 H HN 0.335 nan 8.280 nan 0.000 0.558 134 V N 0.576 120.534 119.914 0.073 0.000 3.155 134 V HA 0.606 4.726 4.120 0.001 0.000 0.313 134 V C -0.581 175.596 176.094 0.138 0.000 1.162 134 V CA -1.399 60.874 62.300 -0.044 0.000 1.048 134 V CB 1.415 33.092 31.823 -0.243 0.000 1.092 134 V HN 0.708 nan 8.190 nan 0.000 0.447 135 L N 0.812 122.097 121.223 0.103 0.000 2.387 135 L HA 0.788 5.128 4.340 0.001 0.000 0.266 135 L C -0.233 176.734 176.870 0.162 0.000 1.059 135 L CA -0.761 54.155 54.840 0.126 0.000 0.801 135 L CB 1.412 43.516 42.059 0.075 0.000 1.223 135 L HN 0.503 nan 8.230 nan 0.000 0.456 136 V N -0.193 119.779 119.914 0.096 0.000 2.513 136 V HA 0.260 4.381 4.120 0.001 0.000 0.299 136 V C -0.641 175.404 176.094 -0.082 0.000 1.035 136 V CA -0.580 61.712 62.300 -0.014 0.000 0.889 136 V CB 1.701 33.471 31.823 -0.089 0.000 0.988 136 V HN 0.684 nan 8.190 nan 0.000 0.440 137 D N 3.286 123.606 120.400 -0.134 0.000 2.339 137 D HA 0.177 4.817 4.640 0.001 0.000 0.241 137 D C 0.897 177.015 176.300 -0.304 0.000 1.183 137 D CA -0.032 53.871 54.000 -0.162 0.000 0.859 137 D CB 1.390 42.128 40.800 -0.104 0.000 1.067 137 D HN 0.643 nan 8.370 nan 0.000 0.484 138 E N 2.690 122.662 120.200 -0.380 0.000 2.371 138 E HA -0.120 4.231 4.350 0.001 0.000 0.194 138 E C 0.818 176.927 176.600 -0.818 0.000 1.012 138 E CA 0.408 56.410 56.400 -0.663 0.000 0.860 138 E CB 0.287 29.555 29.700 -0.720 0.000 0.811 138 E HN 0.614 nan 8.360 nan 0.000 0.502 139 Y N 0.707 120.703 120.300 -0.507 0.000 2.184 139 Y HA -0.154 4.396 4.550 0.001 0.000 0.290 139 Y C 2.948 178.608 175.900 -0.400 0.000 1.129 139 Y CA 1.682 59.524 58.100 -0.431 0.000 1.144 139 Y CB -0.234 37.989 38.460 -0.396 0.000 0.995 139 Y HN 0.091 nan 8.280 nan 0.000 0.513 140 T N -4.580 109.865 114.554 -0.181 0.000 3.037 140 T HA 0.328 4.678 4.350 0.001 0.000 0.251 140 T C 1.703 176.242 174.700 -0.269 0.000 1.079 140 T CA 0.496 62.490 62.100 -0.176 0.000 1.067 140 T CB -0.004 68.814 68.868 -0.083 0.000 0.948 140 T HN 0.464 nan 8.240 nan 0.000 0.496 141 G N 1.293 109.877 108.800 -0.359 0.000 2.143 141 G HA2 -0.209 3.752 3.960 0.001 0.000 0.248 141 G HA3 -0.209 3.752 3.960 0.001 0.000 0.248 141 G C -0.341 174.273 174.900 -0.476 0.000 0.991 141 G CA 0.091 44.927 45.100 -0.440 0.000 0.689 141 G HN 0.673 nan 8.290 nan 0.000 0.522 142 E N -0.996 118.980 120.200 -0.373 0.000 2.242 142 E HA 0.489 4.840 4.350 0.001 0.000 0.275 142 E C 0.005 176.414 176.600 -0.317 0.000 1.002 142 E CA -1.021 55.173 56.400 -0.343 0.000 0.841 142 E CB 0.796 30.409 29.700 -0.144 0.000 1.109 142 E HN 0.391 nan 8.360 nan 0.000 0.394 143 W N 1.493 122.747 121.300 -0.076 0.000 2.218 143 W HA 0.342 5.003 4.660 0.001 0.000 0.326 143 W C -0.539 176.029 176.519 0.082 0.000 1.276 143 W CA -0.687 56.637 57.345 -0.035 0.000 1.210 143 W CB 0.487 29.861 29.460 -0.144 0.000 1.143 143 W HN 0.114 nan 8.180 nan 0.000 0.563 144 V N 3.128 123.227 119.914 0.308 0.000 2.483 144 V HA 0.464 4.584 4.120 0.001 0.000 0.297 144 V C -0.521 175.555 176.094 -0.030 0.000 1.027 144 V CA -0.837 61.555 62.300 0.153 0.000 0.855 144 V CB 1.380 33.243 31.823 0.067 0.000 0.995 144 V HN 0.602 nan 8.190 nan 0.000 0.424 145 D N 2.397 122.668 120.400 -0.216 0.000 2.734 145 D HA 0.156 4.797 4.640 0.001 0.000 0.224 145 D C 0.771 176.752 176.300 -0.533 0.000 1.222 145 D CA -0.315 53.368 54.000 -0.528 0.000 0.761 145 D CB 2.696 42.907 40.800 -0.982 0.000 1.569 145 D HN 0.300 nan 8.370 nan 0.000 0.477 146 S N 1.419 116.880 115.700 -0.398 0.000 2.389 146 S HA -0.261 4.209 4.470 0.001 0.000 0.231 146 S C 1.549 175.987 174.600 -0.272 0.000 1.052 146 S CA 1.521 59.553 58.200 -0.280 0.000 1.053 146 S CB -0.027 63.061 63.200 -0.187 0.000 0.886 146 S HN 0.474 nan 8.310 nan 0.000 0.456 147 Q N -0.002 119.549 119.800 -0.414 0.000 2.224 147 Q HA 0.168 4.508 4.340 0.001 0.000 0.203 147 Q C 0.299 176.189 176.000 -0.184 0.000 0.970 147 Q CA 0.798 56.404 55.803 -0.328 0.000 0.865 147 Q CB -0.299 28.165 28.738 -0.457 0.000 0.922 147 Q HN 0.582 nan 8.270 nan 0.000 0.445 148 F N -0.568 119.324 119.950 -0.097 0.000 2.403 148 F HA 0.201 4.728 4.527 0.001 0.000 0.320 148 F C 0.595 176.369 175.800 -0.043 0.000 1.176 148 F CA -1.345 56.616 58.000 -0.065 0.000 1.206 148 F CB 0.418 39.377 39.000 -0.069 0.000 1.235 148 F HN -0.190 nan 8.300 nan 0.000 0.565 149 I N 2.234 122.922 120.570 0.197 0.000 2.587 149 I HA -0.075 4.095 4.170 0.001 0.000 0.284 149 I C 0.881 177.051 176.117 0.087 0.000 1.134 149 I CA 0.588 61.945 61.300 0.095 0.000 1.410 149 I CB -0.365 37.673 38.000 0.062 0.000 1.392 149 I HN 0.632 nan 8.210 nan 0.000 0.545 150 N N 4.895 123.629 118.700 0.058 0.000 2.708 150 N HA -0.249 4.491 4.740 0.001 0.000 0.251 150 N C 1.113 176.665 175.510 0.069 0.000 1.123 150 N CA 0.637 53.719 53.050 0.053 0.000 0.739 150 N CB -0.574 37.939 38.487 0.043 0.000 1.113 150 N HN 1.153 nan 8.380 nan 0.000 0.561 151 G N -0.622 108.225 108.800 0.078 0.000 2.184 151 G HA2 -0.334 3.627 3.960 0.001 0.000 0.264 151 G HA3 -0.334 3.627 3.960 0.001 0.000 0.264 151 G C -0.053 174.944 174.900 0.162 0.000 0.975 151 G CA 1.286 46.416 45.100 0.049 0.000 0.642 151 G HN 0.518 nan 8.290 nan 0.000 0.536 152 K N -1.189 119.336 120.400 0.209 0.000 2.482 152 K HA 0.705 5.026 4.320 0.001 0.000 0.257 152 K C -1.011 175.622 176.600 0.056 0.000 0.969 152 K CA -0.367 56.027 56.287 0.178 0.000 0.842 152 K CB 2.647 35.197 32.500 0.083 0.000 1.359 152 K HN 0.465 nan 8.250 nan 0.000 0.441 153 c N 0.652 119.203 118.600 -0.082 0.000 3.082 153 c HA 0.455 5.026 4.570 0.001 0.000 0.324 153 c C 0.265 174.313 174.090 -0.071 0.000 1.210 153 c CA -0.298 55.910 56.329 -0.202 0.000 1.366 153 c CB 1.276 43.372 42.510 -0.691 0.000 1.756 153 c HN 0.977 nan 8.230 nan 0.000 0.485 154 S N 2.761 118.435 115.700 -0.042 0.000 2.701 154 S HA 0.343 4.814 4.470 0.001 0.000 0.242 154 S C -0.104 174.515 174.600 0.032 0.000 1.025 154 S CA -0.291 57.869 58.200 -0.066 0.000 1.016 154 S CB -0.315 62.839 63.200 -0.078 0.000 0.977 154 S HN 0.770 nan 8.310 nan 0.000 0.546 155 N N 0.752 119.537 118.700 0.143 0.000 2.459 155 N HA 0.326 5.066 4.740 0.001 0.000 0.288 155 N C -0.060 175.692 175.510 0.402 0.000 1.186 155 N CA -0.562 52.608 53.050 0.202 0.000 0.917 155 N CB 0.699 39.248 38.487 0.104 0.000 1.219 155 N HN 0.096 nan 8.380 nan 0.000 0.525 156 Y N 0.708 121.125 120.300 0.195 0.000 2.274 156 Y HA 0.118 4.669 4.550 0.001 0.000 0.290 156 Y C 0.308 176.197 175.900 -0.019 0.000 1.145 156 Y CA 1.378 59.577 58.100 0.166 0.000 1.203 156 Y CB 0.249 38.761 38.460 0.086 0.000 0.984 156 Y HN 0.404 nan 8.280 nan 0.000 0.533 157 I N -0.144 120.423 120.570 -0.004 0.000 2.498 157 I HA 0.234 4.404 4.170 0.001 0.000 0.290 157 I C -1.149 174.884 176.117 -0.140 0.000 1.032 157 I CA -0.633 60.509 61.300 -0.263 0.000 1.073 157 I CB 1.650 39.425 38.000 -0.374 0.000 1.251 157 I HN -0.185 nan 8.210 nan 0.000 0.426 158 c N 6.650 125.175 118.600 -0.125 0.000 2.379 158 c HA 0.538 5.108 4.570 0.001 0.000 0.323 158 c C -2.368 171.733 174.090 0.019 0.000 1.262 158 c CA -1.431 54.849 56.329 -0.082 0.000 1.581 158 c CB 1.331 43.664 42.510 -0.295 0.000 2.221 158 c HN 0.412 nan 8.230 nan 0.000 0.497 159 P HA 0.336 nan 4.420 nan 0.000 0.275 159 P C -0.107 177.283 177.300 0.151 0.000 1.228 159 P CA 0.226 63.371 63.100 0.074 0.000 0.786 159 P CB 0.692 32.419 31.700 0.045 0.000 0.927 160 T N -2.243 112.406 114.554 0.159 0.000 2.927 160 T HA 0.275 4.625 4.350 0.001 0.000 0.286 160 T C 1.074 175.834 174.700 0.101 0.000 1.040 160 T CA -0.699 61.507 62.100 0.177 0.000 1.010 160 T CB 0.412 69.386 68.868 0.176 0.000 1.177 160 T HN -0.033 nan 8.240 nan 0.000 0.546 161 V N 0.755 120.700 119.914 0.052 0.000 2.380 161 V HA -0.096 4.025 4.120 0.001 0.000 0.251 161 V C 1.304 177.302 176.094 -0.159 0.000 1.063 161 V CA 1.486 63.741 62.300 -0.074 0.000 1.055 161 V CB -1.146 30.582 31.823 -0.158 0.000 0.657 161 V HN 0.780 nan 8.190 nan 0.000 0.455 162 H N -0.075 119.001 119.070 0.010 0.000 2.562 162 H HA 0.181 4.737 4.556 0.000 0.000 0.352 162 H C 1.025 176.378 175.328 0.043 0.000 1.125 162 H CA -0.004 56.055 56.048 0.019 0.000 1.379 162 H CB 0.599 30.362 29.762 0.002 0.000 1.464 162 H HN 0.303 nan 8.280 nan 0.000 0.563 163 N N 0.673 119.465 118.700 0.152 0.000 2.007 163 N HA -0.192 4.548 4.740 0.001 0.000 0.197 163 N C 1.560 177.131 175.510 0.102 0.000 1.050 163 N CA 2.047 55.160 53.050 0.105 0.000 0.856 163 N CB 0.017 38.562 38.487 0.097 0.000 1.050 163 N HN 0.521 nan 8.380 nan 0.000 0.423 164 S N -0.433 115.339 115.700 0.119 0.000 2.535 164 S HA 0.086 4.556 4.470 0.001 0.000 0.214 164 S C 0.542 175.184 174.600 0.070 0.000 0.980 164 S CA -0.365 57.866 58.200 0.052 0.000 0.907 164 S CB 0.191 63.372 63.200 -0.032 0.000 0.790 164 S HN 0.038 nan 8.310 nan 0.000 0.510 165 T N 3.586 118.236 114.554 0.160 0.000 2.897 165 T HA 0.522 4.872 4.350 0.001 0.000 0.294 165 T C 0.073 174.853 174.700 0.133 0.000 1.004 165 T CA -0.131 62.063 62.100 0.157 0.000 1.106 165 T CB 1.241 70.193 68.868 0.140 0.000 0.949 165 T HN 0.556 nan 8.240 nan 0.000 0.520 166 T N -0.392 114.250 114.554 0.146 0.000 2.909 166 T HA 0.537 4.887 4.350 0.001 0.000 0.299 166 T C -1.575 173.278 174.700 0.255 0.000 1.073 166 T CA -1.041 61.158 62.100 0.166 0.000 0.999 166 T CB 1.335 70.271 68.868 0.112 0.000 1.098 166 T HN 0.706 nan 8.240 nan 0.000 0.477 167 W N 3.079 124.396 121.300 0.028 0.000 2.433 167 W HA 0.566 5.226 4.660 0.000 0.000 0.315 167 W C -0.681 175.742 176.519 -0.160 0.000 1.087 167 W CA -0.505 56.861 57.345 0.035 0.000 1.205 167 W CB 0.871 30.417 29.460 0.144 0.000 1.288 167 W HN 0.751 nan 8.180 nan 0.000 0.504 168 H N 4.040 122.561 119.070 -0.916 0.000 2.589 168 H HA 0.261 4.818 4.556 0.000 0.000 0.335 168 H C -0.020 174.409 175.328 -1.499 0.000 1.019 168 H CA -0.691 54.799 56.048 -0.931 0.000 1.213 168 H CB 1.675 31.146 29.762 -0.484 0.000 1.472 168 H HN 0.405 nan 8.280 nan 0.000 0.508 169 S N 2.047 116.853 115.700 -1.490 0.000 2.580 169 S HA 0.014 4.484 4.470 0.001 0.000 0.274 169 S C 0.727 174.933 174.600 -0.658 0.000 1.329 169 S CA -0.677 56.780 58.200 -1.240 0.000 1.036 169 S CB 1.545 64.135 63.200 -1.017 0.000 0.919 169 S HN 0.523 nan 8.310 nan 0.000 0.515 170 D N 0.551 120.699 120.400 -0.421 0.000 2.144 170 D HA 0.067 4.707 4.640 0.001 0.000 0.200 170 D C -0.367 175.584 176.300 -0.583 0.000 0.978 170 D CA 1.420 55.156 54.000 -0.440 0.000 0.833 170 D CB -0.044 40.466 40.800 -0.484 0.000 0.961 170 D HN 0.677 nan 8.370 nan 0.000 0.470 171 Y N -0.167 120.159 120.300 0.044 0.000 2.499 171 Y HA 0.349 4.900 4.550 0.001 0.000 0.347 171 Y C 0.345 176.453 175.900 0.347 0.000 0.987 171 Y CA -1.100 57.117 58.100 0.195 0.000 1.044 171 Y CB 1.363 39.934 38.460 0.186 0.000 1.245 171 Y HN -0.472 nan 8.280 nan 0.000 0.461 172 K N 1.442 122.178 120.400 0.561 0.000 2.339 172 K HA 0.114 4.434 4.320 0.001 0.000 0.286 172 K C 0.882 177.705 176.600 0.371 0.000 1.050 172 K CA -0.148 56.452 56.287 0.520 0.000 0.956 172 K CB 1.673 34.385 32.500 0.354 0.000 0.990 172 K HN 0.652 nan 8.250 nan 0.000 0.475 173 V N 4.557 124.647 119.914 0.293 0.000 2.370 173 V HA -0.328 3.792 4.120 0.001 0.000 0.252 173 V C 2.264 178.316 176.094 -0.071 0.000 1.068 173 V CA 2.002 64.270 62.300 -0.055 0.000 1.061 173 V CB -0.318 31.165 31.823 -0.566 0.000 0.656 173 V HN 0.798 nan 8.190 nan 0.000 0.455 174 K N -0.403 119.978 120.400 -0.031 0.000 2.009 174 K HA -0.174 4.146 4.320 0.001 0.000 0.210 174 K C 2.137 178.743 176.600 0.010 0.000 1.049 174 K CA 1.813 58.074 56.287 -0.045 0.000 0.929 174 K CB -0.952 31.538 32.500 -0.017 0.000 0.714 174 K HN 0.619 nan 8.250 nan 0.000 0.440 175 G N 1.408 110.246 108.800 0.064 0.000 2.469 175 G HA2 -0.255 3.705 3.960 0.001 0.000 0.219 175 G HA3 -0.255 3.705 3.960 0.001 0.000 0.219 175 G C 1.494 176.396 174.900 0.004 0.000 1.150 175 G CA 0.981 46.117 45.100 0.060 0.000 0.763 175 G HN 0.256 nan 8.290 nan 0.000 0.561 176 L N -0.386 120.836 121.223 -0.002 0.000 2.313 176 L HA 0.024 4.364 4.340 0.001 0.000 0.214 176 L C 2.785 179.593 176.870 -0.103 0.000 1.119 176 L CA 0.076 54.882 54.840 -0.058 0.000 0.809 176 L CB -0.268 41.786 42.059 -0.008 0.000 0.933 176 L HN 0.275 nan 8.230 nan 0.000 0.449 177 c N -0.173 118.363 118.600 -0.106 0.000 2.602 177 c HA -0.055 4.515 4.570 0.001 0.000 0.282 177 c C 2.307 176.369 174.090 -0.047 0.000 1.313 177 c CA 0.169 56.412 56.329 -0.144 0.000 1.699 177 c CB -0.428 41.951 42.510 -0.218 0.000 2.124 177 c HN 0.511 nan 8.230 nan 0.000 0.509 178 D N 0.955 121.372 120.400 0.029 0.000 2.315 178 D HA -0.129 4.511 4.640 0.001 0.000 0.211 178 D C 2.107 178.400 176.300 -0.011 0.000 0.977 178 D CA 1.327 55.357 54.000 0.051 0.000 0.894 178 D CB -0.533 40.312 40.800 0.075 0.000 0.910 178 D HN 0.476 nan 8.370 nan 0.000 0.490 179 S N 0.303 115.973 115.700 -0.050 0.000 2.400 179 S HA -0.138 4.332 4.470 0.001 0.000 0.232 179 S C 1.285 175.820 174.600 -0.107 0.000 1.025 179 S CA 0.896 59.046 58.200 -0.084 0.000 0.993 179 S CB 0.013 63.142 63.200 -0.118 0.000 0.808 179 S HN 0.149 nan 8.310 nan 0.000 0.478 180 N N 0.900 119.519 118.700 -0.133 0.000 2.275 180 N HA 0.292 5.032 4.740 0.001 0.000 0.236 180 N C -1.157 174.338 175.510 -0.026 0.000 1.154 180 N CA 0.026 52.992 53.050 -0.140 0.000 0.866 180 N CB 0.576 38.838 38.487 -0.374 0.000 1.093 180 N HN 0.404 nan 8.380 nan 0.000 0.515 181 L N 1.862 123.080 121.223 -0.008 0.000 2.287 181 L HA 0.547 4.888 4.340 0.001 0.000 0.287 181 L C 0.127 176.985 176.870 -0.020 0.000 1.022 181 L CA -0.882 53.966 54.840 0.013 0.000 0.814 181 L CB 1.229 43.296 42.059 0.013 0.000 1.217 181 L HN 0.005 nan 8.230 nan 0.000 0.420 182 I N -0.287 120.263 120.570 -0.033 0.000 2.362 182 I HA 0.463 4.633 4.170 0.001 0.000 0.289 182 I C 0.010 176.092 176.117 -0.059 0.000 0.994 182 I CA -0.402 60.866 61.300 -0.054 0.000 1.158 182 I CB 1.758 39.711 38.000 -0.079 0.000 1.315 182 I HN 0.382 nan 8.210 nan 0.000 0.451 183 S N 8.808 124.481 115.700 -0.046 0.000 2.498 183 S HA 0.528 4.999 4.470 0.001 0.000 0.281 183 S C -0.012 174.563 174.600 -0.040 0.000 1.265 183 S CA -0.458 57.717 58.200 -0.043 0.000 1.071 183 S CB 0.247 63.428 63.200 -0.031 0.000 0.894 183 S HN 0.793 nan 8.310 nan 0.000 0.491 184 M N 0.760 120.333 119.600 -0.045 0.000 3.213 184 M HA 0.653 5.134 4.480 0.001 0.000 0.278 184 M C -2.175 174.105 176.300 -0.033 0.000 1.332 184 M CA -1.030 54.252 55.300 -0.029 0.000 0.810 184 M CB 1.407 33.992 32.600 -0.026 0.000 1.676 184 M HN 0.135 nan 8.290 nan 0.000 0.463 185 D N 1.994 122.384 120.400 -0.017 0.000 2.185 185 D HA 0.750 5.391 4.640 0.001 0.000 0.247 185 D C -0.577 175.709 176.300 -0.024 0.000 1.027 185 D CA -0.181 53.801 54.000 -0.030 0.000 0.861 185 D CB 1.897 42.683 40.800 -0.023 0.000 1.202 185 D HN 0.703 nan 8.370 nan 0.000 0.453 186 I N -2.473 118.065 120.570 -0.052 0.000 2.910 186 I HA 0.622 4.792 4.170 0.001 0.000 0.310 186 I C -0.429 175.673 176.117 -0.024 0.000 1.043 186 I CA -0.780 60.497 61.300 -0.037 0.000 1.053 186 I CB 2.097 40.085 38.000 -0.021 0.000 1.242 186 I HN -0.004 nan 8.210 nan 0.000 0.452 187 T N 3.526 118.069 114.554 -0.019 0.000 2.767 187 T HA 0.398 4.748 4.350 0.001 0.000 0.288 187 T C -0.809 173.815 174.700 -0.126 0.000 0.963 187 T CA -0.047 61.969 62.100 -0.139 0.000 1.019 187 T CB 0.570 69.293 68.868 -0.241 0.000 0.923 187 T HN 0.459 nan 8.240 nan 0.000 0.468 188 F N 4.075 123.785 119.950 -0.400 0.000 2.436 188 F HA 0.700 5.226 4.527 -0.001 0.000 0.340 188 F C -1.483 173.984 175.800 -0.555 0.000 1.113 188 F CA -1.360 56.377 58.000 -0.439 0.000 1.022 188 F CB 0.613 39.445 39.000 -0.280 0.000 1.128 188 F HN 0.416 nan 8.300 nan 0.000 0.466 189 F N 3.615 122.951 119.950 -1.023 0.000 2.480 189 F HA 0.689 5.218 4.527 0.003 0.000 0.329 189 F C -0.036 175.160 175.800 -1.008 0.000 1.091 189 F CA -0.441 57.099 58.000 -0.767 0.000 0.972 189 F CB 2.037 40.889 39.000 -0.248 0.000 1.150 189 F HN 0.586 nan 8.300 nan 0.000 0.467 190 S N -0.094 115.355 115.700 -0.419 0.000 2.611 190 S HA 0.291 4.761 4.470 0.001 0.000 0.268 190 S C 0.214 174.764 174.600 -0.083 0.000 1.156 190 S CA -0.627 57.410 58.200 -0.271 0.000 0.817 190 S CB 1.473 64.494 63.200 -0.298 0.000 1.122 190 S HN 0.709 nan 8.310 nan 0.000 0.466 191 E N 1.059 121.248 120.200 -0.019 0.000 2.077 191 E HA -0.179 4.172 4.350 0.001 0.000 0.193 191 E C 0.742 177.342 176.600 0.000 0.000 0.989 191 E CA 2.006 58.410 56.400 0.005 0.000 0.800 191 E CB -0.597 29.115 29.700 0.021 0.000 0.746 191 E HN 0.751 nan 8.360 nan 0.000 0.452 192 D N -0.723 119.678 120.400 0.001 0.000 2.367 192 D HA 0.151 4.791 4.640 0.001 0.000 0.207 192 D C 1.262 177.561 176.300 -0.002 0.000 1.034 192 D CA 0.427 54.432 54.000 0.008 0.000 0.861 192 D CB 0.304 41.119 40.800 0.025 0.000 0.943 192 D HN 0.360 nan 8.370 nan 0.000 0.515 193 G N 0.334 109.114 108.800 -0.032 0.000 2.198 193 G HA2 -0.316 3.645 3.960 0.001 0.000 0.260 193 G HA3 -0.316 3.645 3.960 0.001 0.000 0.260 193 G C -0.206 174.702 174.900 0.013 0.000 1.025 193 G CA 0.257 45.327 45.100 -0.051 0.000 0.769 193 G HN 0.479 nan 8.290 nan 0.000 0.507 194 E N -0.475 119.770 120.200 0.074 0.000 2.129 194 E HA 0.629 4.979 4.350 0.001 0.000 0.268 194 E C 1.600 178.350 176.600 0.249 0.000 0.900 194 E CA -0.812 55.658 56.400 0.117 0.000 0.755 194 E CB 0.641 30.394 29.700 0.088 0.000 1.117 194 E HN 0.101 nan 8.360 nan 0.000 0.410 195 L N 2.360 123.699 121.223 0.194 0.000 2.129 195 L HA -0.229 4.112 4.340 0.001 0.000 0.212 195 L C 1.827 178.724 176.870 0.046 0.000 1.087 195 L CA 1.570 56.494 54.840 0.141 0.000 0.757 195 L CB -0.452 41.638 42.059 0.050 0.000 0.896 195 L HN 0.548 nan 8.230 nan 0.000 0.434 196 S N -1.683 114.057 115.700 0.066 0.000 2.465 196 S HA -0.137 4.334 4.470 0.001 0.000 0.241 196 S C 1.841 176.476 174.600 0.059 0.000 1.000 196 S CA 1.168 59.389 58.200 0.034 0.000 0.964 196 S CB -0.322 62.896 63.200 0.029 0.000 0.763 196 S HN 0.338 nan 8.310 nan 0.000 0.512 197 S N 1.048 116.852 115.700 0.174 0.000 2.607 197 S HA 0.238 4.708 4.470 0.001 0.000 0.224 197 S C 0.460 175.240 174.600 0.301 0.000 0.969 197 S CA -0.292 58.057 58.200 0.247 0.000 0.927 197 S CB -0.444 62.941 63.200 0.307 0.000 0.772 197 S HN 0.344 nan 8.310 nan 0.000 0.533 198 L N 2.014 123.257 121.223 0.033 0.000 2.615 198 L HA 0.246 4.586 4.340 0.001 0.000 0.284 198 L C 1.354 178.192 176.870 -0.053 0.000 1.237 198 L CA 1.534 56.282 54.840 -0.152 0.000 0.905 198 L CB -0.533 41.369 42.059 -0.261 0.000 1.149 198 L HN 0.354 nan 8.230 nan 0.000 0.499 199 G N 3.145 112.000 108.800 0.093 0.000 2.475 199 G HA2 -0.226 3.735 3.960 0.001 0.000 0.209 199 G HA3 -0.226 3.735 3.960 0.001 0.000 0.209 199 G C 0.478 175.465 174.900 0.144 0.000 1.127 199 G CA -0.015 45.080 45.100 -0.009 0.000 0.681 199 G HN 0.580 nan 8.290 nan 0.000 0.517 200 K N 1.693 122.179 120.400 0.143 0.000 2.586 200 K HA 0.189 4.509 4.320 0.001 0.000 0.280 200 K C 0.376 177.083 176.600 0.179 0.000 0.972 200 K CA 0.411 56.783 56.287 0.142 0.000 1.040 200 K CB 0.521 33.103 32.500 0.137 0.000 0.870 200 K HN 0.471 nan 8.250 nan 0.000 0.497 201 E N -0.010 120.273 120.200 0.139 0.000 2.392 201 E HA 0.107 4.458 4.350 0.001 0.000 0.264 201 E C 0.549 177.223 176.600 0.124 0.000 1.024 201 E CA 1.279 57.761 56.400 0.137 0.000 0.903 201 E CB 0.551 30.315 29.700 0.106 0.000 0.963 201 E HN 0.679 nan 8.360 nan 0.000 0.432 202 G N 2.643 111.519 108.800 0.126 0.000 2.203 202 G HA2 -0.220 3.740 3.960 0.001 0.000 0.231 202 G HA3 -0.220 3.740 3.960 0.001 0.000 0.231 202 G C 0.126 175.085 174.900 0.097 0.000 1.058 202 G CA 0.265 45.427 45.100 0.103 0.000 0.781 202 G HN 0.762 nan 8.290 nan 0.000 0.496 203 T N -2.421 112.212 114.554 0.132 0.000 2.927 203 T HA 0.969 5.319 4.350 0.001 0.000 0.286 203 T C 0.384 175.127 174.700 0.070 0.000 1.040 203 T CA 0.001 62.145 62.100 0.073 0.000 1.010 203 T CB 2.892 71.921 68.868 0.268 0.000 1.177 203 T HN 1.740 nan 8.240 nan 0.000 0.546 204 G N -0.539 108.222 108.800 -0.066 0.000 2.649 204 G HA2 0.672 4.632 3.960 0.001 0.000 0.290 204 G HA3 0.672 4.632 3.960 0.001 0.000 0.290 204 G C -2.178 172.615 174.900 -0.178 0.000 1.426 204 G CA -0.972 44.075 45.100 -0.088 0.000 0.794 204 G HN 0.613 nan 8.290 nan 0.000 0.483 205 F N -0.481 119.519 119.950 0.084 0.000 2.601 205 F HA 0.812 5.339 4.527 -0.000 0.000 0.309 205 F C 0.152 176.080 175.800 0.213 0.000 1.089 205 F CA -0.838 57.366 58.000 0.340 0.000 0.940 205 F CB 2.943 42.222 39.000 0.464 0.000 1.273 205 F HN 0.520 nan 8.300 nan 0.000 0.450 206 R N 1.282 121.994 120.500 0.353 0.000 2.629 206 R HA 0.732 5.073 4.340 0.001 0.000 0.266 206 R C -1.766 174.257 176.300 -0.461 0.000 1.051 206 R CA -0.402 55.639 56.100 -0.098 0.000 0.895 206 R CB 2.396 32.866 30.300 0.282 0.000 1.246 206 R HN 0.788 nan 8.270 nan 0.000 0.459 207 S N 0.226 115.401 115.700 -0.875 0.000 2.638 207 S HA 0.197 4.667 4.470 0.001 0.000 0.274 207 S C 0.598 175.009 174.600 -0.315 0.000 1.157 207 S CA -0.645 57.271 58.200 -0.473 0.000 0.826 207 S CB 1.367 64.317 63.200 -0.416 0.000 1.139 207 S HN 0.818 nan 8.310 nan 0.000 0.474 208 N N 1.089 119.678 118.700 -0.185 0.000 2.205 208 N HA -0.182 4.559 4.740 0.001 0.000 0.186 208 N C 1.137 176.438 175.510 -0.348 0.000 1.015 208 N CA 1.705 54.592 53.050 -0.271 0.000 0.862 208 N CB -0.609 37.688 38.487 -0.317 0.000 0.986 208 N HN 0.718 nan 8.380 nan 0.000 0.429 209 Y N 0.547 120.817 120.300 -0.051 0.000 2.439 209 Y HA 0.107 4.657 4.550 -0.001 0.000 0.292 209 Y C 0.601 176.610 175.900 0.182 0.000 1.130 209 Y CA 0.513 58.659 58.100 0.076 0.000 1.254 209 Y CB -0.110 38.440 38.460 0.149 0.000 1.000 209 Y HN 0.141 nan 8.280 nan 0.000 0.554 210 F N -2.566 117.462 119.950 0.130 0.000 2.628 210 F HA 0.818 5.345 4.527 0.001 0.000 0.309 210 F C -0.590 175.267 175.800 0.096 0.000 1.108 210 F CA -2.434 55.628 58.000 0.103 0.000 0.971 210 F CB 0.457 39.526 39.000 0.116 0.000 1.279 210 F HN -0.259 nan 8.300 nan 0.000 0.441 211 A N 2.449 125.437 122.820 0.281 0.000 2.520 211 A HA 0.187 4.507 4.320 0.001 0.000 0.235 211 A C -0.727 177.027 177.584 0.283 0.000 1.065 211 A CA -0.188 51.970 52.037 0.201 0.000 0.764 211 A CB -0.231 18.876 19.000 0.178 0.000 1.002 211 A HN 0.985 nan 8.150 nan 0.000 0.502 212 Y N 1.464 121.820 120.300 0.093 0.000 2.881 212 Y HA 0.162 4.711 4.550 -0.000 0.000 0.335 212 Y C 0.793 176.801 175.900 0.180 0.000 1.263 212 Y CA 1.714 59.875 58.100 0.102 0.000 1.572 212 Y CB 0.240 38.671 38.460 -0.048 0.000 1.237 212 Y HN 0.786 nan 8.280 nan 0.000 0.568 213 E N 2.827 122.757 120.200 -0.450 0.000 2.408 213 E HA 0.424 4.775 4.350 0.001 0.000 0.275 213 E C -1.102 175.331 176.600 -0.279 0.000 0.935 213 E CA -0.960 55.316 56.400 -0.207 0.000 0.775 213 E CB 1.189 30.931 29.700 0.069 0.000 1.277 213 E HN 0.529 nan 8.360 nan 0.000 0.455 214 T N -1.168 113.380 114.554 -0.010 0.000 2.900 214 T HA 0.359 4.710 4.350 0.001 0.000 0.307 214 T C 0.888 175.728 174.700 0.233 0.000 1.065 214 T CA 0.054 62.216 62.100 0.103 0.000 1.105 214 T CB 1.148 70.104 68.868 0.147 0.000 0.979 214 T HN 0.701 nan 8.240 nan 0.000 0.544 215 G N 0.215 109.204 108.800 0.315 0.000 2.833 215 G HA2 0.473 4.434 3.960 0.001 0.000 0.214 215 G HA3 0.473 4.434 3.960 0.001 0.000 0.214 215 G C 0.684 175.839 174.900 0.426 0.000 1.075 215 G CA -0.099 45.326 45.100 0.541 0.000 0.799 215 G HN 1.085 nan 8.290 nan 0.000 0.541 216 G N -0.075 108.902 108.800 0.294 0.000 2.441 216 G HA2 0.415 4.376 3.960 0.001 0.000 0.243 216 G HA3 0.415 4.376 3.960 0.001 0.000 0.243 216 G C 0.634 175.661 174.900 0.211 0.000 1.281 216 G CA 0.175 45.422 45.100 0.244 0.000 0.854 216 G HN 0.230 nan 8.290 nan 0.000 0.560 217 K N -0.935 119.583 120.400 0.197 0.000 3.533 217 K HA -0.157 4.163 4.320 0.001 0.000 0.289 217 K C 0.948 177.629 176.600 0.135 0.000 1.317 217 K CA 0.664 57.042 56.287 0.152 0.000 0.967 217 K CB -1.620 30.950 32.500 0.117 0.000 1.323 217 K HN 1.017 nan 8.250 nan 0.000 0.477 218 A N 1.230 124.157 122.820 0.178 0.000 2.483 218 A HA 0.371 4.691 4.320 0.001 0.000 0.238 218 A C 0.731 178.339 177.584 0.040 0.000 1.070 218 A CA 0.540 52.597 52.037 0.032 0.000 0.770 218 A CB -0.036 18.973 19.000 0.015 0.000 1.008 218 A HN 0.613 nan 8.150 nan 0.000 0.497 219 c N 0.922 119.436 118.600 -0.143 0.000 3.173 219 c HA 0.849 5.419 4.570 0.001 0.000 0.310 219 c C -0.606 173.450 174.090 -0.057 0.000 1.306 219 c CA -1.156 55.175 56.329 0.003 0.000 1.426 219 c CB 1.188 43.749 42.510 0.084 0.000 1.800 219 c HN 1.058 nan 8.230 nan 0.000 0.470 220 K N 1.973 122.474 120.400 0.167 0.000 2.159 220 K HA 0.829 5.149 4.320 0.001 0.000 0.266 220 K C -0.624 176.274 176.600 0.496 0.000 0.975 220 K CA -0.324 56.174 56.287 0.352 0.000 0.865 220 K CB 1.395 34.221 32.500 0.543 0.000 1.087 220 K HN 1.057 nan 8.250 nan 0.000 0.446 221 M N -0.149 119.756 119.600 0.508 0.000 2.683 221 M HA 0.303 4.783 4.480 0.001 0.000 0.274 221 M C -1.543 174.787 176.300 0.050 0.000 1.272 221 M CA -1.091 54.382 55.300 0.287 0.000 0.833 221 M CB 2.111 34.819 32.600 0.179 0.000 1.708 221 M HN 0.485 nan 8.290 nan 0.000 0.463 222 Q N 0.939 120.455 119.800 -0.474 0.000 2.243 222 Q HA 0.461 4.801 4.340 0.001 0.000 0.252 222 Q C -1.945 173.771 176.000 -0.473 0.000 0.909 222 Q CA -0.425 55.038 55.803 -0.566 0.000 0.922 222 Q CB 1.928 30.152 28.738 -0.856 0.000 1.215 222 Q HN 0.642 nan 8.270 nan 0.000 0.427 223 Y N 0.461 120.271 120.300 -0.817 0.000 2.361 223 Y HA 0.186 4.736 4.550 0.000 0.000 0.337 223 Y C -0.290 175.170 175.900 -0.733 0.000 0.965 223 Y CA -0.970 56.464 58.100 -1.110 0.000 1.091 223 Y CB 1.223 38.447 38.460 -2.060 0.000 1.182 223 Y HN 0.896 nan 8.280 nan 0.000 0.450 224 c N 6.594 124.358 118.600 -1.394 0.000 4.028 224 c HA -0.268 4.302 4.570 0.001 0.000 0.300 224 c C 1.009 174.699 174.090 -0.667 0.000 1.399 224 c CA 1.618 57.331 56.329 -1.028 0.000 2.051 224 c CB -2.373 39.459 42.510 -1.130 0.000 1.318 224 c HN 1.069 nan 8.230 nan 0.000 0.696 225 K N -1.702 118.338 120.400 -0.600 0.000 3.391 225 K HA -0.179 4.142 4.320 0.001 0.000 0.307 225 K C -0.035 176.224 176.600 -0.568 0.000 1.304 225 K CA 1.410 57.375 56.287 -0.535 0.000 0.904 225 K CB -0.985 31.222 32.500 -0.489 0.000 1.293 225 K HN 0.820 nan 8.250 nan 0.000 0.470 226 H N -1.034 117.927 119.070 -0.181 0.000 2.538 226 H HA 0.200 4.757 4.556 0.001 0.000 0.353 226 H C -0.270 175.111 175.328 0.087 0.000 1.109 226 H CA -0.633 55.445 56.048 0.050 0.000 1.192 226 H CB 0.665 30.571 29.762 0.241 0.000 1.555 226 H HN 0.056 nan 8.280 nan 0.000 0.518 227 W N 1.921 123.433 121.300 0.354 0.000 2.266 227 W HA 0.423 5.083 4.660 -0.000 0.000 0.317 227 W C 0.840 177.438 176.519 0.131 0.000 1.310 227 W CA 0.412 57.972 57.345 0.358 0.000 1.207 227 W CB 0.993 30.714 29.460 0.435 0.000 1.199 227 W HN 0.724 nan 8.180 nan 0.000 0.544 228 G N 0.620 109.623 108.800 0.339 0.000 2.782 228 G HA2 0.588 4.548 3.960 0.001 0.000 0.304 228 G HA3 0.588 4.548 3.960 0.001 0.000 0.304 228 G C -1.915 172.637 174.900 -0.581 0.000 1.315 228 G CA -0.874 43.849 45.100 -0.628 0.000 0.791 228 G HN 0.168 nan 8.290 nan 0.000 0.519 229 V N 0.886 120.030 119.914 -1.284 0.000 2.370 229 V HA 0.568 4.688 4.120 0.001 0.000 0.283 229 V C 0.203 175.614 176.094 -1.139 0.000 1.023 229 V CA -0.698 60.903 62.300 -1.166 0.000 0.857 229 V CB 1.306 32.219 31.823 -1.518 0.000 0.985 229 V HN 0.641 nan 8.190 nan 0.000 0.443 230 R N 3.893 124.074 120.500 -0.532 0.000 2.255 230 R HA 0.528 4.869 4.340 0.001 0.000 0.326 230 R C -1.260 174.846 176.300 -0.324 0.000 0.986 230 R CA -0.762 55.161 56.100 -0.295 0.000 0.847 230 R CB 1.086 31.396 30.300 0.016 0.000 1.111 230 R HN 0.478 nan 8.270 nan 0.000 0.452 231 L N 6.941 127.963 121.223 -0.335 0.000 2.399 231 L HA 0.336 4.677 4.340 0.001 0.000 0.266 231 L C -1.446 175.360 176.870 -0.105 0.000 1.114 231 L CA -2.323 52.379 54.840 -0.230 0.000 0.804 231 L CB 0.975 42.868 42.059 -0.277 0.000 1.146 231 L HN 0.539 nan 8.230 nan 0.000 0.451 232 P HA -0.213 nan 4.420 nan 0.000 0.218 232 P C 1.463 178.762 177.300 -0.002 0.000 1.154 232 P CA 1.821 64.923 63.100 0.003 0.000 0.872 232 P CB 0.134 31.857 31.700 0.037 0.000 0.790 233 S N -2.364 113.327 115.700 -0.014 0.000 2.500 233 S HA 0.008 4.479 4.470 0.001 0.000 0.239 233 S C 1.806 176.387 174.600 -0.032 0.000 0.989 233 S CA 1.218 59.410 58.200 -0.013 0.000 0.951 233 S CB -1.266 61.925 63.200 -0.015 0.000 0.759 233 S HN 0.359 nan 8.310 nan 0.000 0.523 234 G N -0.067 108.704 108.800 -0.047 0.000 2.259 234 G HA2 -0.235 3.726 3.960 0.001 0.000 0.217 234 G HA3 -0.235 3.726 3.960 0.001 0.000 0.217 234 G C 0.088 174.955 174.900 -0.055 0.000 1.001 234 G CA -0.257 44.826 45.100 -0.029 0.000 0.627 234 G HN 0.692 nan 8.290 nan 0.000 0.501 235 V N 0.698 120.529 119.914 -0.138 0.000 2.625 235 V HA 0.304 4.424 4.120 0.001 0.000 0.305 235 V C 0.358 176.347 176.094 -0.175 0.000 1.055 235 V CA 1.260 63.426 62.300 -0.223 0.000 1.209 235 V CB 0.441 31.949 31.823 -0.526 0.000 0.877 235 V HN 0.458 nan 8.190 nan 0.000 0.489 236 W N 8.105 129.221 121.300 -0.307 0.000 2.819 236 W HA 0.732 5.393 4.660 0.002 0.000 0.337 236 W C -1.012 175.346 176.519 -0.268 0.000 1.077 236 W CA -1.204 55.912 57.345 -0.381 0.000 1.226 236 W CB 1.731 30.998 29.460 -0.322 0.000 1.419 236 W HN 0.515 nan 8.180 nan 0.000 0.502 237 F N 2.410 121.756 119.950 -1.006 0.000 2.645 237 F HA 0.512 5.041 4.527 0.002 0.000 0.310 237 F C -1.119 173.764 175.800 -1.528 0.000 1.102 237 F CA -1.454 55.949 58.000 -0.995 0.000 0.952 237 F CB 1.612 40.319 39.000 -0.488 0.000 1.326 237 F HN 0.339 nan 8.300 nan 0.000 0.456 238 E N 3.478 123.158 120.200 -0.868 0.000 2.113 238 E HA 0.362 4.712 4.350 0.001 0.000 0.273 238 E C -1.080 175.346 176.600 -0.290 0.000 0.924 238 E CA -0.754 55.241 56.400 -0.674 0.000 0.764 238 E CB 1.199 30.661 29.700 -0.397 0.000 1.104 238 E HN 0.779 nan 8.360 nan 0.000 0.406 239 M N 3.332 122.752 119.600 -0.299 0.000 2.219 239 M HA 0.098 4.579 4.480 0.001 0.000 0.353 239 M C 1.155 177.396 176.300 -0.098 0.000 1.304 239 M CA 0.037 55.263 55.300 -0.123 0.000 1.115 239 M CB 1.217 33.779 32.600 -0.063 0.000 1.664 239 M HN 0.698 nan 8.290 nan 0.000 0.459 240 A N 1.923 124.712 122.820 -0.052 0.000 2.015 240 A HA -0.105 4.216 4.320 0.001 0.000 0.219 240 A C 0.885 178.475 177.584 0.010 0.000 1.163 240 A CA 1.240 53.261 52.037 -0.027 0.000 0.646 240 A CB -0.213 18.772 19.000 -0.024 0.000 0.806 240 A HN 0.801 nan 8.150 nan 0.000 0.448 241 D N -0.616 119.802 120.400 0.029 0.000 2.468 241 D HA 0.344 4.985 4.640 0.001 0.000 0.218 241 D C 0.699 177.073 176.300 0.124 0.000 1.155 241 D CA -0.141 53.896 54.000 0.062 0.000 0.924 241 D CB 0.869 41.700 40.800 0.052 0.000 1.029 241 D HN -0.052 nan 8.370 nan 0.000 0.515 242 K N 1.689 122.169 120.400 0.132 0.000 2.211 242 K HA -0.066 4.255 4.320 0.001 0.000 0.203 242 K C 1.213 177.934 176.600 0.202 0.000 1.050 242 K CA 0.688 57.107 56.287 0.219 0.000 0.945 242 K CB 0.100 32.706 32.500 0.177 0.000 0.732 242 K HN 0.344 nan 8.250 nan 0.000 0.451 243 D N -0.226 120.244 120.400 0.117 0.000 2.123 243 D HA -0.069 4.571 4.640 0.001 0.000 0.200 243 D C 1.609 177.945 176.300 0.060 0.000 0.976 243 D CA 0.624 54.663 54.000 0.066 0.000 0.831 243 D CB 0.142 40.967 40.800 0.042 0.000 0.974 243 D HN 0.030 nan 8.370 nan 0.000 0.469 244 L N -0.118 121.158 121.223 0.088 0.000 2.141 244 L HA -0.078 4.262 4.340 0.001 0.000 0.209 244 L C 2.014 178.963 176.870 0.133 0.000 1.094 244 L CA 0.896 55.781 54.840 0.076 0.000 0.763 244 L CB -0.390 41.713 42.059 0.073 0.000 0.908 244 L HN 0.204 nan 8.230 nan 0.000 0.437 245 F N 0.485 120.461 119.950 0.044 0.000 2.134 245 F HA -0.260 4.267 4.527 0.000 0.000 0.299 245 F C 2.354 178.186 175.800 0.053 0.000 1.097 245 F CA 1.412 59.478 58.000 0.109 0.000 1.264 245 F CB 0.026 39.096 39.000 0.117 0.000 1.001 245 F HN 0.107 nan 8.300 nan 0.000 0.479 246 A N 0.311 123.033 122.820 -0.164 0.000 1.929 246 A HA -0.010 4.310 4.320 0.001 0.000 0.216 246 A C 2.244 179.693 177.584 -0.225 0.000 1.176 246 A CA 1.323 53.187 52.037 -0.288 0.000 0.628 246 A CB -1.298 17.605 19.000 -0.161 0.000 0.816 246 A HN 0.487 nan 8.150 nan 0.000 0.444 247 A N -0.300 122.436 122.820 -0.141 0.000 2.014 247 A HA 0.318 4.639 4.320 0.001 0.000 0.218 247 A C 2.344 179.811 177.584 -0.194 0.000 1.163 247 A CA 1.453 53.410 52.037 -0.132 0.000 0.652 247 A CB -0.736 18.219 19.000 -0.076 0.000 0.808 247 A HN 0.963 nan 8.150 nan 0.000 0.449 248 A N 0.702 123.358 122.820 -0.273 0.000 2.024 248 A HA -0.081 4.239 4.320 0.001 0.000 0.220 248 A C 1.330 178.549 177.584 -0.608 0.000 1.164 248 A CA 1.015 52.752 52.037 -0.500 0.000 0.643 248 A CB -0.622 17.917 19.000 -0.768 0.000 0.806 248 A HN 0.883 nan 8.150 nan 0.000 0.451 249 R N -1.700 118.520 120.500 -0.466 0.000 3.038 249 R HA -0.204 4.137 4.340 0.001 0.000 0.242 249 R C -1.282 174.829 176.300 -0.316 0.000 0.866 249 R CA 0.699 56.594 56.100 -0.342 0.000 0.601 249 R CB -2.955 27.217 30.300 -0.215 0.000 1.107 249 R HN 0.340 nan 8.270 nan 0.000 0.492 250 F N 2.097 121.984 119.950 -0.104 0.000 2.563 250 F HA 0.178 4.704 4.527 -0.001 0.000 0.363 250 F C -0.622 175.160 175.800 -0.030 0.000 1.123 250 F CA -1.546 56.438 58.000 -0.027 0.000 1.307 250 F CB 0.151 39.169 39.000 0.030 0.000 1.115 250 F HN 0.180 nan 8.300 nan 0.000 0.592 251 P HA 0.046 nan 4.420 nan 0.000 0.274 251 P C -0.828 176.571 177.300 0.165 0.000 1.237 251 P CA -0.387 62.792 63.100 0.132 0.000 0.793 251 P CB 0.617 32.388 31.700 0.118 0.000 0.977 252 E N 0.189 120.470 120.200 0.136 0.000 2.376 252 E HA 0.090 4.441 4.350 0.001 0.000 0.266 252 E C -0.111 176.585 176.600 0.160 0.000 1.009 252 E CA -0.241 56.271 56.400 0.186 0.000 0.902 252 E CB 0.330 30.138 29.700 0.180 0.000 0.972 252 E HN 0.434 nan 8.360 nan 0.000 0.439 253 c N 5.687 124.391 118.600 0.174 0.000 2.563 253 c HA 0.038 4.608 4.570 0.001 0.000 0.411 253 c C -1.598 172.552 174.090 0.100 0.000 1.386 253 c CA -1.297 55.107 56.329 0.124 0.000 1.703 253 c CB -1.136 41.447 42.510 0.123 0.000 2.596 253 c HN 0.598 nan 8.230 nan 0.000 0.605 254 P HA -0.050 nan 4.420 nan 0.000 0.266 254 P C -0.014 177.311 177.300 0.042 0.000 1.180 254 P CA 0.437 63.569 63.100 0.054 0.000 0.765 254 P CB 0.286 32.012 31.700 0.044 0.000 0.806 255 E N 1.583 121.800 120.200 0.028 0.000 2.502 255 E HA 0.059 4.410 4.350 0.001 0.000 0.261 255 E C 0.898 177.490 176.600 -0.014 0.000 0.974 255 E CA 0.709 57.113 56.400 0.007 0.000 0.936 255 E CB -0.504 29.195 29.700 -0.001 0.000 0.926 255 E HN 0.789 nan 8.360 nan 0.000 0.459 256 G N 3.550 112.326 108.800 -0.039 0.000 2.246 256 G HA2 -0.266 3.695 3.960 0.001 0.000 0.273 256 G HA3 -0.266 3.695 3.960 0.001 0.000 0.273 256 G C -0.103 174.766 174.900 -0.051 0.000 1.055 256 G CA 0.416 45.469 45.100 -0.078 0.000 0.851 256 G HN 0.483 nan 8.290 nan 0.000 0.500 257 S N 0.097 115.789 115.700 -0.013 0.000 2.528 257 S HA 0.567 5.038 4.470 0.001 0.000 0.277 257 S C 0.751 175.379 174.600 0.047 0.000 1.297 257 S CA -0.058 58.157 58.200 0.025 0.000 1.052 257 S CB 1.524 64.759 63.200 0.058 0.000 0.917 257 S HN 0.495 nan 8.310 nan 0.000 0.492 258 S N 2.147 117.890 115.700 0.072 0.000 2.616 258 S HA 0.557 5.027 4.470 0.001 0.000 0.277 258 S C 0.013 174.742 174.600 0.216 0.000 1.234 258 S CA -0.607 57.694 58.200 0.167 0.000 1.028 258 S CB 0.414 63.677 63.200 0.106 0.000 0.988 258 S HN 0.528 nan 8.310 nan 0.000 0.522 259 I N 1.766 122.530 120.570 0.323 0.000 2.603 259 I HA 0.465 4.635 4.170 0.001 0.000 0.300 259 I C 0.009 176.186 176.117 0.100 0.000 1.017 259 I CA -0.338 61.047 61.300 0.140 0.000 1.098 259 I CB 2.203 40.166 38.000 -0.062 0.000 1.279 259 I HN 0.688 nan 8.210 nan 0.000 0.437 260 S N 3.303 118.983 115.700 -0.034 0.000 2.671 260 S HA 0.945 5.416 4.470 0.001 0.000 0.299 260 S C -0.848 173.603 174.600 -0.248 0.000 1.116 260 S CA -0.839 57.210 58.200 -0.252 0.000 0.912 260 S CB 2.173 65.273 63.200 -0.167 0.000 1.130 260 S HN 0.770 nan 8.310 nan 0.000 0.501 261 A N 1.385 123.962 122.820 -0.406 0.000 2.414 261 A HA 0.852 5.172 4.320 0.001 0.000 0.306 261 A C -3.035 174.492 177.584 -0.095 0.000 1.054 261 A CA -2.132 49.800 52.037 -0.174 0.000 0.724 261 A CB 0.788 19.711 19.000 -0.128 0.000 1.267 261 A HN 0.653 nan 8.150 nan 0.000 0.418 262 P HA 0.125 nan 4.420 nan 0.000 0.264 262 P C 0.080 177.421 177.300 0.068 0.000 1.193 262 P CA 0.432 63.591 63.100 0.099 0.000 0.763 262 P CB 0.727 32.576 31.700 0.248 0.000 0.810 263 S N 2.124 117.850 115.700 0.043 0.000 2.687 263 S HA 0.200 4.670 4.470 0.001 0.000 0.283 263 S C 1.335 175.974 174.600 0.066 0.000 1.170 263 S CA -0.748 57.471 58.200 0.032 0.000 1.008 263 S CB 1.151 64.347 63.200 -0.008 0.000 1.026 263 S HN 0.425 nan 8.310 nan 0.000 0.541 264 Q N 0.387 120.221 119.800 0.057 0.000 2.197 264 Q HA -0.124 4.217 4.340 0.001 0.000 0.207 264 Q C 1.771 177.784 176.000 0.021 0.000 0.984 264 Q CA 1.954 57.788 55.803 0.052 0.000 0.869 264 Q CB -0.729 28.033 28.738 0.041 0.000 0.906 264 Q HN 0.856 nan 8.270 nan 0.000 0.426 265 T N 0.271 114.832 114.554 0.010 0.000 2.821 265 T HA -0.107 4.243 4.350 0.001 0.000 0.267 265 T C 2.078 176.776 174.700 -0.002 0.000 1.046 265 T CA 1.326 63.424 62.100 -0.004 0.000 1.139 265 T CB -0.131 68.729 68.868 -0.014 0.000 0.871 265 T HN 0.228 nan 8.240 nan 0.000 0.454 266 S N 1.259 116.969 115.700 0.016 0.000 2.370 266 S HA -0.103 4.367 4.470 0.001 0.000 0.226 266 S C 2.357 176.967 174.600 0.017 0.000 1.033 266 S CA 0.965 59.184 58.200 0.031 0.000 1.011 266 S CB -0.640 62.603 63.200 0.070 0.000 0.852 266 S HN 0.310 nan 8.310 nan 0.000 0.457 267 V N 2.709 122.625 119.914 0.003 0.000 2.295 267 V HA -0.202 3.918 4.120 0.001 0.000 0.246 267 V C 2.041 178.086 176.094 -0.081 0.000 1.049 267 V CA 1.986 64.236 62.300 -0.083 0.000 1.024 267 V CB -0.867 30.870 31.823 -0.142 0.000 0.648 267 V HN 0.358 nan 8.190 nan 0.000 0.447 268 D N -0.034 120.335 120.400 -0.051 0.000 2.178 268 D HA -0.126 4.514 4.640 0.001 0.000 0.201 268 D C 2.118 178.390 176.300 -0.047 0.000 0.980 268 D CA 1.023 54.994 54.000 -0.050 0.000 0.842 268 D CB -0.413 40.367 40.800 -0.034 0.000 0.948 268 D HN 0.313 nan 8.370 nan 0.000 0.472 269 V N 0.790 120.683 119.914 -0.035 0.000 2.343 269 V HA -0.232 3.888 4.120 0.001 0.000 0.247 269 V C 2.589 178.658 176.094 -0.041 0.000 1.051 269 V CA 1.998 64.280 62.300 -0.030 0.000 1.036 269 V CB -0.558 31.258 31.823 -0.011 0.000 0.654 269 V HN 0.295 nan 8.190 nan 0.000 0.451 270 S N -0.549 115.124 115.700 -0.046 0.000 2.402 270 S HA -0.104 4.366 4.470 0.001 0.000 0.229 270 S C 1.988 176.537 174.600 -0.085 0.000 1.021 270 S CA 1.250 59.413 58.200 -0.061 0.000 0.974 270 S CB -0.349 62.812 63.200 -0.064 0.000 0.800 270 S HN 0.513 nan 8.310 nan 0.000 0.484 271 L N 0.931 122.102 121.223 -0.087 0.000 2.012 271 L HA -0.088 4.252 4.340 0.001 0.000 0.210 271 L C 2.610 179.433 176.870 -0.078 0.000 1.073 271 L CA 1.221 56.010 54.840 -0.086 0.000 0.748 271 L CB -0.624 41.387 42.059 -0.078 0.000 0.891 271 L HN 0.355 nan 8.230 nan 0.000 0.431 272 I N -0.185 120.343 120.570 -0.069 0.000 2.226 272 I HA -0.294 3.876 4.170 0.001 0.000 0.245 272 I C 2.594 178.661 176.117 -0.083 0.000 1.100 272 I CA 1.545 62.803 61.300 -0.068 0.000 1.374 272 I CB -1.012 36.952 38.000 -0.061 0.000 1.057 272 I HN 0.439 nan 8.210 nan 0.000 0.413 273 Q N 0.362 120.110 119.800 -0.086 0.000 2.135 273 Q HA -0.239 4.101 4.340 0.001 0.000 0.204 273 Q C 1.785 177.699 176.000 -0.143 0.000 0.981 273 Q CA 1.580 57.322 55.803 -0.103 0.000 0.856 273 Q CB -0.124 28.562 28.738 -0.087 0.000 0.902 273 Q HN 0.508 nan 8.270 nan 0.000 0.425 274 D N -0.177 120.138 120.400 -0.142 0.000 2.117 274 D HA -0.122 4.518 4.640 0.001 0.000 0.197 274 D C 1.962 178.178 176.300 -0.141 0.000 0.987 274 D CA 0.959 54.858 54.000 -0.168 0.000 0.829 274 D CB -0.086 40.636 40.800 -0.131 0.000 0.961 274 D HN 0.066 nan 8.370 nan 0.000 0.460 275 V N 0.886 120.743 119.914 -0.095 0.000 2.323 275 V HA -0.173 3.947 4.120 0.001 0.000 0.244 275 V C 2.449 178.513 176.094 -0.050 0.000 1.041 275 V CA 1.464 63.727 62.300 -0.061 0.000 1.025 275 V CB -0.411 31.386 31.823 -0.044 0.000 0.656 275 V HN 0.189 nan 8.190 nan 0.000 0.451 276 E N 0.791 120.952 120.200 -0.065 0.000 2.097 276 E HA -0.302 4.048 4.350 0.001 0.000 0.196 276 E C 2.416 179.018 176.600 0.003 0.000 1.000 276 E CA 1.846 58.223 56.400 -0.039 0.000 0.804 276 E CB -0.076 29.569 29.700 -0.091 0.000 0.740 276 E HN 0.698 nan 8.360 nan 0.000 0.454 277 R N 0.989 121.431 120.500 -0.097 0.000 2.115 277 R HA -0.088 4.253 4.340 0.001 0.000 0.226 277 R C 2.522 178.824 176.300 0.003 0.000 1.100 277 R CA 1.590 57.608 56.100 -0.138 0.000 0.980 277 R CB -0.864 29.128 30.300 -0.515 0.000 0.875 277 R HN 0.367 nan 8.270 nan 0.000 0.445 278 I N -0.958 119.606 120.570 -0.010 0.000 2.406 278 I HA -0.048 4.123 4.170 0.001 0.000 0.249 278 I C 2.153 178.372 176.117 0.170 0.000 1.122 278 I CA 0.647 62.039 61.300 0.153 0.000 1.431 278 I CB -0.348 37.713 38.000 0.101 0.000 1.087 278 I HN 0.111 nan 8.210 nan 0.000 0.424 279 L N 2.152 123.436 121.223 0.102 0.000 2.012 279 L HA -0.200 4.140 4.340 0.001 0.000 0.210 279 L C 1.976 178.904 176.870 0.096 0.000 1.073 279 L CA 2.048 56.941 54.840 0.088 0.000 0.748 279 L CB -0.988 41.131 42.059 0.100 0.000 0.891 279 L HN 0.209 nan 8.230 nan 0.000 0.431 280 D N -1.627 118.882 120.400 0.182 0.000 2.097 280 D HA -0.252 4.389 4.640 0.001 0.000 0.197 280 D C 2.048 178.423 176.300 0.125 0.000 0.984 280 D CA 1.782 55.895 54.000 0.189 0.000 0.826 280 D CB -0.406 40.560 40.800 0.277 0.000 0.973 280 D HN 0.527 nan 8.370 nan 0.000 0.460 281 Y N 1.719 122.097 120.300 0.131 0.000 2.181 281 Y HA -0.250 4.300 4.550 0.001 0.000 0.288 281 Y C 2.475 178.398 175.900 0.040 0.000 1.146 281 Y CA 2.145 60.334 58.100 0.148 0.000 1.164 281 Y CB -0.124 38.538 38.460 0.337 0.000 0.982 281 Y HN 0.000 nan 8.280 nan 0.000 0.515 282 S N 0.034 115.730 115.700 -0.006 0.000 2.368 282 S HA -0.196 4.274 4.470 0.001 0.000 0.224 282 S C 1.941 176.389 174.600 -0.253 0.000 1.029 282 S CA 1.439 59.564 58.200 -0.125 0.000 0.988 282 S CB -1.035 62.158 63.200 -0.011 0.000 0.838 282 S HN 0.537 nan 8.310 nan 0.000 0.462 283 L N 0.860 121.882 121.223 -0.336 0.000 2.046 283 L HA -0.090 4.250 4.340 0.001 0.000 0.208 283 L C 3.100 179.718 176.870 -0.419 0.000 1.077 283 L CA 1.318 55.803 54.840 -0.592 0.000 0.747 283 L CB -0.884 40.464 42.059 -1.185 0.000 0.896 283 L HN 0.575 nan 8.230 nan 0.000 0.432 284 c N -0.157 118.257 118.600 -0.311 0.000 2.413 284 c HA -0.168 4.402 4.570 0.001 0.000 0.276 284 c C 2.961 176.909 174.090 -0.236 0.000 1.248 284 c CA 0.892 57.081 56.329 -0.234 0.000 1.742 284 c CB -0.610 41.828 42.510 -0.122 0.000 2.017 284 c HN 0.516 nan 8.230 nan 0.000 0.481 285 Q N 0.357 119.982 119.800 -0.292 0.000 2.187 285 Q HA -0.094 4.247 4.340 0.001 0.000 0.199 285 Q C 2.004 177.928 176.000 -0.127 0.000 0.957 285 Q CA 1.495 57.176 55.803 -0.203 0.000 0.857 285 Q CB -0.608 27.887 28.738 -0.406 0.000 0.929 285 Q HN 0.787 nan 8.270 nan 0.000 0.453 286 E N 0.523 120.619 120.200 -0.172 0.000 2.110 286 E HA -0.141 4.210 4.350 0.001 0.000 0.193 286 E C 1.902 178.433 176.600 -0.116 0.000 0.988 286 E CA 1.819 58.144 56.400 -0.124 0.000 0.804 286 E CB -0.242 29.377 29.700 -0.135 0.000 0.745 286 E HN 0.309 nan 8.360 nan 0.000 0.458 287 T N -1.939 112.500 114.554 -0.192 0.000 2.857 287 T HA -0.129 4.221 4.350 0.001 0.000 0.266 287 T C 1.647 176.169 174.700 -0.297 0.000 1.048 287 T CA 1.331 63.263 62.100 -0.281 0.000 1.139 287 T CB -0.591 68.057 68.868 -0.366 0.000 0.874 287 T HN 0.416 nan 8.240 nan 0.000 0.455 288 W N 1.847 123.078 121.300 -0.115 0.000 2.363 288 W HA -0.082 4.578 4.660 0.000 0.000 0.296 288 W C 3.206 179.675 176.519 -0.084 0.000 1.212 288 W CA 0.892 58.182 57.345 -0.092 0.000 1.260 288 W CB -0.358 29.032 29.460 -0.117 0.000 1.131 288 W HN 0.432 nan 8.180 nan 0.000 0.530 289 S N 0.564 116.319 115.700 0.090 0.000 2.383 289 S HA -0.174 4.296 4.470 0.001 0.000 0.227 289 S C 1.661 176.275 174.600 0.024 0.000 1.026 289 S CA 1.301 59.522 58.200 0.035 0.000 0.981 289 S CB -0.391 62.805 63.200 -0.007 0.000 0.818 289 S HN 0.271 nan 8.310 nan 0.000 0.472 290 K N 0.775 121.173 120.400 -0.003 0.000 2.032 290 K HA 0.001 4.321 4.320 0.001 0.000 0.209 290 K C 2.062 178.672 176.600 0.016 0.000 1.048 290 K CA 1.904 58.185 56.287 -0.010 0.000 0.927 290 K CB -0.471 32.002 32.500 -0.045 0.000 0.712 290 K HN 0.442 nan 8.250 nan 0.000 0.441 291 I N 0.539 121.133 120.570 0.041 0.000 2.179 291 I HA -0.271 3.899 4.170 0.001 0.000 0.242 291 I C 2.654 178.836 176.117 0.110 0.000 1.088 291 I CA 1.058 62.413 61.300 0.091 0.000 1.357 291 I CB -0.194 37.909 38.000 0.172 0.000 1.051 291 I HN 0.149 nan 8.210 nan 0.000 0.409 292 R N 1.149 121.722 120.500 0.121 0.000 2.120 292 R HA -0.142 4.198 4.340 0.001 0.000 0.234 292 R C 1.978 178.310 176.300 0.053 0.000 1.123 292 R CA 1.577 57.731 56.100 0.090 0.000 0.975 292 R CB -0.109 30.230 30.300 0.066 0.000 0.866 292 R HN 0.381 nan 8.270 nan 0.000 0.446 293 A N -0.644 122.199 122.820 0.040 0.000 2.275 293 A HA 0.237 4.558 4.320 0.001 0.000 0.212 293 A C 1.221 178.819 177.584 0.023 0.000 1.201 293 A CA 0.662 52.714 52.037 0.024 0.000 0.843 293 A CB 0.153 19.161 19.000 0.013 0.000 0.873 293 A HN 0.510 nan 8.150 nan 0.000 0.492 294 G N -0.783 108.035 108.800 0.031 0.000 2.147 294 G HA2 -0.217 3.743 3.960 0.001 0.000 0.244 294 G HA3 -0.217 3.743 3.960 0.001 0.000 0.244 294 G C 0.069 174.980 174.900 0.017 0.000 1.005 294 G CA 0.362 45.478 45.100 0.028 0.000 0.713 294 G HN 0.437 nan 8.290 nan 0.000 0.515 295 L N 0.700 121.930 121.223 0.011 0.000 2.417 295 L HA 0.418 4.758 4.340 0.001 0.000 0.268 295 L C -1.382 175.487 176.870 -0.001 0.000 1.158 295 L CA -2.014 52.827 54.840 0.002 0.000 0.819 295 L CB 0.457 42.514 42.059 -0.004 0.000 1.112 295 L HN -0.068 nan 8.230 nan 0.000 0.458 296 P HA 0.147 nan 4.420 nan 0.000 0.268 296 P C -0.755 176.538 177.300 -0.012 0.000 1.205 296 P CA -0.064 63.035 63.100 -0.001 0.000 0.771 296 P CB 0.408 32.106 31.700 -0.003 0.000 0.858 297 I N -1.017 119.546 120.570 -0.012 0.000 2.822 297 I HA 0.805 4.975 4.170 0.001 0.000 0.312 297 I C 0.026 176.136 176.117 -0.010 0.000 1.011 297 I CA -0.878 60.393 61.300 -0.047 0.000 1.105 297 I CB 2.217 40.158 38.000 -0.098 0.000 1.291 297 I HN 0.363 nan 8.210 nan 0.000 0.474 298 S N 1.367 117.030 115.700 -0.062 0.000 2.732 298 S HA 0.632 5.102 4.470 0.001 0.000 0.293 298 S C -2.426 172.078 174.600 -0.161 0.000 1.159 298 S CA -1.274 56.908 58.200 -0.030 0.000 0.847 298 S CB 1.574 64.764 63.200 -0.018 0.000 1.169 298 S HN 0.499 nan 8.310 nan 0.000 0.501 299 P HA -0.046 nan 4.420 nan 0.000 0.219 299 P C 1.524 178.673 177.300 -0.252 0.000 1.146 299 P CA 0.785 63.745 63.100 -0.232 0.000 0.808 299 P CB -0.152 31.431 31.700 -0.194 0.000 0.779 300 V N 0.583 120.341 119.914 -0.261 0.000 2.343 300 V HA -0.240 3.881 4.120 0.001 0.000 0.247 300 V C 2.023 177.622 176.094 -0.825 0.000 1.051 300 V CA 2.098 64.142 62.300 -0.427 0.000 1.036 300 V CB -1.114 30.540 31.823 -0.281 0.000 0.654 300 V HN 0.165 nan 8.190 nan 0.000 0.451 301 D N -0.058 120.001 120.400 -0.568 0.000 2.117 301 D HA -0.128 4.513 4.640 0.001 0.000 0.198 301 D C 2.120 178.101 176.300 -0.532 0.000 0.982 301 D CA 0.977 54.646 54.000 -0.552 0.000 0.828 301 D CB -0.131 40.489 40.800 -0.300 0.000 0.967 301 D HN 0.237 nan 8.370 nan 0.000 0.464 302 L N 1.638 122.617 121.223 -0.406 0.000 2.013 302 L HA -0.201 4.139 4.340 0.001 0.000 0.212 302 L C 2.681 179.398 176.870 -0.254 0.000 1.073 302 L CA 1.499 56.153 54.840 -0.311 0.000 0.753 302 L CB -1.461 40.480 42.059 -0.195 0.000 0.890 302 L HN 0.063 nan 8.230 nan 0.000 0.432 303 S N -1.723 113.799 115.700 -0.297 0.000 2.440 303 S HA -0.245 4.226 4.470 0.001 0.000 0.238 303 S C 2.000 176.559 174.600 -0.068 0.000 1.010 303 S CA 1.141 59.250 58.200 -0.152 0.000 0.972 303 S CB -0.885 62.235 63.200 -0.133 0.000 0.774 303 S HN 0.595 nan 8.310 nan 0.000 0.501 304 Y N 0.755 120.933 120.300 -0.203 0.000 2.519 304 Y HA 0.302 4.853 4.550 0.001 0.000 0.287 304 Y C 2.050 177.823 175.900 -0.213 0.000 1.128 304 Y CA 0.007 57.941 58.100 -0.277 0.000 1.282 304 Y CB -0.063 38.160 38.460 -0.394 0.000 1.027 304 Y HN 0.251 nan 8.280 nan 0.000 0.551 305 L N -0.503 120.640 121.223 -0.133 0.000 2.416 305 L HA 0.200 4.540 4.340 0.001 0.000 0.216 305 L C 1.227 178.193 176.870 0.160 0.000 1.098 305 L CA -0.350 54.377 54.840 -0.189 0.000 0.840 305 L CB -0.198 41.349 42.059 -0.852 0.000 0.981 305 L HN 0.007 nan 8.230 nan 0.000 0.462 306 A N 0.812 123.724 122.820 0.153 0.000 2.401 306 A HA 0.408 4.729 4.320 0.001 0.000 0.259 306 A C -2.229 175.379 177.584 0.040 0.000 1.103 306 A CA -1.228 50.922 52.037 0.189 0.000 0.789 306 A CB -0.335 18.762 19.000 0.161 0.000 1.035 306 A HN -0.077 nan 8.150 nan 0.000 0.491 307 P HA -0.007 nan 4.420 nan 0.000 0.264 307 P C 0.197 177.320 177.300 -0.294 0.000 1.179 307 P CA 0.318 63.242 63.100 -0.294 0.000 0.763 307 P CB 0.423 31.642 31.700 -0.801 0.000 0.806 308 K N 0.891 121.207 120.400 -0.141 0.000 2.355 308 K HA 0.211 4.532 4.320 0.001 0.000 0.198 308 K C 0.029 176.631 176.600 0.002 0.000 1.039 308 K CA 0.435 56.667 56.287 -0.092 0.000 1.075 308 K CB 0.178 32.546 32.500 -0.220 0.000 0.870 308 K HN 0.425 nan 8.250 nan 0.000 0.540 309 N N 1.667 120.360 118.700 -0.011 0.000 2.335 309 N HA 0.336 5.077 4.740 0.001 0.000 0.304 309 N C -2.671 172.866 175.510 0.045 0.000 1.135 309 N CA -1.690 51.383 53.050 0.038 0.000 0.817 309 N CB 1.485 40.007 38.487 0.058 0.000 1.294 309 N HN -0.117 nan 8.380 nan 0.000 0.497 310 P HA 0.284 nan 4.420 nan 0.000 0.270 310 P C 0.314 177.681 177.300 0.113 0.000 1.223 310 P CA 0.307 63.477 63.100 0.116 0.000 0.785 310 P CB 0.482 32.234 31.700 0.087 0.000 0.923 311 G N 0.254 109.139 108.800 0.142 0.000 2.343 311 G HA2 0.142 4.103 3.960 0.001 0.000 0.465 311 G HA3 0.142 4.103 3.960 0.001 0.000 0.465 311 G C -0.579 174.418 174.900 0.163 0.000 1.282 311 G CA -0.291 44.885 45.100 0.127 0.000 0.996 311 G HN 0.752 nan 8.290 nan 0.000 0.521 312 T N -1.459 113.169 114.554 0.123 0.000 2.868 312 T HA 0.815 5.165 4.350 0.001 0.000 0.292 312 T C 0.791 175.565 174.700 0.123 0.000 1.028 312 T CA 0.801 62.965 62.100 0.106 0.000 1.059 312 T CB 1.675 70.581 68.868 0.062 0.000 0.991 312 T HN 2.552 nan 8.240 nan 0.000 0.531 313 G N 1.196 110.042 108.800 0.077 0.000 2.340 313 G HA2 0.481 4.442 3.960 0.001 0.000 0.300 313 G HA3 0.481 4.442 3.960 0.001 0.000 0.300 313 G C -3.511 171.321 174.900 -0.113 0.000 1.488 313 G CA -1.074 44.011 45.100 -0.026 0.000 0.878 313 G HN 0.691 nan 8.290 nan 0.000 0.618 314 P HA 0.574 nan 4.420 nan 0.000 0.276 314 P C -0.343 176.687 177.300 -0.450 0.000 1.244 314 P CA -0.072 62.739 63.100 -0.483 0.000 0.801 314 P CB 1.934 33.249 31.700 -0.641 0.000 1.006 315 A N 1.493 123.918 122.820 -0.659 0.000 2.380 315 A HA 0.815 5.135 4.320 0.001 0.000 0.315 315 A C -1.306 176.095 177.584 -0.305 0.000 1.101 315 A CA -0.580 51.247 52.037 -0.350 0.000 0.771 315 A CB 0.849 19.581 19.000 -0.447 0.000 1.287 315 A HN 0.408 nan 8.150 nan 0.000 0.436 316 F N -0.253 119.879 119.950 0.304 0.000 2.551 316 F HA 0.749 5.277 4.527 0.000 0.000 0.316 316 F C 0.602 176.463 175.800 0.102 0.000 1.089 316 F CA -0.209 57.978 58.000 0.311 0.000 0.915 316 F CB 2.914 41.980 39.000 0.109 0.000 1.186 316 F HN 0.648 nan 8.300 nan 0.000 0.456 317 T N 2.128 116.726 114.554 0.074 0.000 2.778 317 T HA 0.699 5.050 4.350 0.001 0.000 0.293 317 T C -1.550 173.041 174.700 -0.182 0.000 1.144 317 T CA -0.531 61.399 62.100 -0.285 0.000 1.010 317 T CB 1.250 69.626 68.868 -0.820 0.000 1.325 317 T HN 0.412 nan 8.240 nan 0.000 0.515 318 I N 2.436 122.876 120.570 -0.217 0.000 2.382 318 I HA 0.500 4.671 4.170 0.001 0.000 0.286 318 I C -0.781 175.295 176.117 -0.068 0.000 1.002 318 I CA -0.548 60.698 61.300 -0.090 0.000 1.135 318 I CB 1.384 39.364 38.000 -0.034 0.000 1.288 318 I HN 0.430 nan 8.210 nan 0.000 0.448 319 I N 6.350 126.894 120.570 -0.044 0.000 2.418 319 I HA 0.306 4.476 4.170 0.001 0.000 0.287 319 I C -0.007 176.128 176.117 0.029 0.000 1.008 319 I CA -0.561 60.724 61.300 -0.024 0.000 1.104 319 I CB 1.336 39.290 38.000 -0.076 0.000 1.264 319 I HN 0.569 nan 8.210 nan 0.000 0.438 320 N N 5.049 123.775 118.700 0.044 0.000 2.727 320 N HA -0.212 4.529 4.740 0.001 0.000 0.249 320 N C 0.765 176.299 175.510 0.039 0.000 1.048 320 N CA 1.455 54.527 53.050 0.037 0.000 0.714 320 N CB -0.704 37.800 38.487 0.029 0.000 0.959 320 N HN 1.139 nan 8.380 nan 0.000 0.544 321 G N -2.783 106.050 108.800 0.055 0.000 2.284 321 G HA2 -0.287 3.673 3.960 0.001 0.000 0.230 321 G HA3 -0.287 3.673 3.960 0.001 0.000 0.230 321 G C 0.172 175.108 174.900 0.060 0.000 1.021 321 G CA 0.927 46.058 45.100 0.051 0.000 0.619 321 G HN 1.283 nan 8.290 nan 0.000 0.510 322 T N -0.178 114.414 114.554 0.062 0.000 2.895 322 T HA 0.683 5.034 4.350 0.001 0.000 0.283 322 T C 0.472 175.223 174.700 0.085 0.000 1.014 322 T CA -0.649 61.496 62.100 0.075 0.000 1.037 322 T CB 1.920 70.839 68.868 0.084 0.000 1.006 322 T HN 0.718 nan 8.240 nan 0.000 0.468 323 L N 3.049 124.337 121.223 0.107 0.000 2.490 323 L HA 0.342 4.682 4.340 0.001 0.000 0.274 323 L C -0.052 176.963 176.870 0.242 0.000 1.201 323 L CA 0.304 55.233 54.840 0.148 0.000 0.869 323 L CB 0.334 42.486 42.059 0.155 0.000 1.123 323 L HN 0.785 nan 8.230 nan 0.000 0.484 324 K N 4.838 125.416 120.400 0.296 0.000 2.480 324 K HA 0.522 4.842 4.320 0.001 0.000 0.258 324 K C -1.284 175.746 176.600 0.716 0.000 0.990 324 K CA -0.539 56.012 56.287 0.440 0.000 0.857 324 K CB 2.647 35.303 32.500 0.260 0.000 1.384 324 K HN 0.532 nan 8.250 nan 0.000 0.446 325 Y N -0.778 119.864 120.300 0.569 0.000 2.638 325 Y HA 0.758 5.308 4.550 0.001 0.000 0.335 325 Y C -1.627 174.416 175.900 0.239 0.000 1.155 325 Y CA -1.835 56.477 58.100 0.354 0.000 1.046 325 Y CB 1.129 39.579 38.460 -0.016 0.000 1.303 325 Y HN 0.534 nan 8.280 nan 0.000 0.460 326 F N -0.123 119.474 119.950 -0.588 0.000 2.631 326 F HA 0.704 5.232 4.527 0.001 0.000 0.308 326 F C -1.352 174.167 175.800 -0.468 0.000 1.097 326 F CA -1.379 56.158 58.000 -0.772 0.000 0.952 326 F CB 1.734 40.240 39.000 -0.822 0.000 1.307 326 F HN 0.483 nan 8.300 nan 0.000 0.450 327 E N 2.194 122.134 120.200 -0.433 0.000 2.259 327 E HA 0.400 4.750 4.350 0.001 0.000 0.281 327 E C -0.345 175.978 176.600 -0.463 0.000 1.037 327 E CA 0.162 56.347 56.400 -0.357 0.000 0.854 327 E CB 1.613 31.226 29.700 -0.144 0.000 1.051 327 E HN 0.865 nan 8.360 nan 0.000 0.409 328 T N 2.120 116.365 114.554 -0.515 0.000 2.587 328 T HA 0.576 4.926 4.350 0.001 0.000 0.282 328 T C -1.356 173.202 174.700 -0.237 0.000 1.018 328 T CA -0.728 61.094 62.100 -0.463 0.000 1.120 328 T CB 1.407 69.729 68.868 -0.911 0.000 1.538 328 T HN 0.531 nan 8.240 nan 0.000 0.480 329 R N 0.461 120.823 120.500 -0.231 0.000 2.604 329 R HA 0.567 4.907 4.340 0.001 0.000 0.281 329 R C -2.072 174.117 176.300 -0.186 0.000 1.020 329 R CA -0.617 55.444 56.100 -0.064 0.000 0.899 329 R CB 1.076 31.392 30.300 0.026 0.000 1.205 329 R HN 0.596 nan 8.270 nan 0.000 0.450 330 Y N 3.898 124.162 120.300 -0.060 0.000 2.361 330 Y HA 0.489 5.040 4.550 0.001 0.000 0.332 330 Y C 0.407 176.285 175.900 -0.035 0.000 1.101 330 Y CA -0.672 57.394 58.100 -0.057 0.000 1.137 330 Y CB 1.640 40.084 38.460 -0.027 0.000 1.207 330 Y HN 0.499 nan 8.280 nan 0.000 0.463 331 I N -0.472 120.141 120.570 0.073 0.000 2.689 331 I HA 0.658 4.828 4.170 0.001 0.000 0.299 331 I C -0.620 175.552 176.117 0.091 0.000 1.059 331 I CA -1.417 59.902 61.300 0.032 0.000 1.055 331 I CB 2.051 39.987 38.000 -0.107 0.000 1.243 331 I HN 0.388 nan 8.210 nan 0.000 0.425 332 R N 3.085 123.629 120.500 0.073 0.000 2.489 332 R HA 0.573 4.914 4.340 0.001 0.000 0.287 332 R C -1.086 175.249 176.300 0.058 0.000 1.053 332 R CA -0.109 56.033 56.100 0.069 0.000 1.036 332 R CB 1.067 31.389 30.300 0.037 0.000 0.966 332 R HN 0.556 nan 8.270 nan 0.000 0.432 333 V N 3.330 123.283 119.914 0.065 0.000 2.841 333 V HA 0.191 4.311 4.120 0.001 0.000 0.310 333 V C -0.928 175.173 176.094 0.012 0.000 1.090 333 V CA -0.994 61.331 62.300 0.041 0.000 0.930 333 V CB 2.431 34.288 31.823 0.057 0.000 1.014 333 V HN 0.703 nan 8.190 nan 0.000 0.425 334 D N 4.310 124.709 120.400 -0.002 0.000 2.233 334 D HA 0.626 5.266 4.640 0.001 0.000 0.240 334 D C -0.182 176.097 176.300 -0.035 0.000 1.074 334 D CA 0.035 54.027 54.000 -0.013 0.000 0.838 334 D CB 2.151 42.945 40.800 -0.011 0.000 1.124 334 D HN 0.598 nan 8.370 nan 0.000 0.475 335 I N -2.314 118.225 120.570 -0.051 0.000 3.023 335 I HA 0.711 4.882 4.170 0.001 0.000 0.312 335 I C 0.836 176.972 176.117 0.031 0.000 1.056 335 I CA -1.078 60.172 61.300 -0.084 0.000 1.033 335 I CB 2.033 39.839 38.000 -0.323 0.000 1.233 335 I HN 0.230 nan 8.210 nan 0.000 0.462 336 A N 2.543 125.388 122.820 0.041 0.000 1.975 336 A HA 0.712 5.032 4.320 0.001 0.000 0.215 336 A C 1.078 178.806 177.584 0.241 0.000 1.170 336 A CA 1.098 53.197 52.037 0.103 0.000 0.656 336 A CB -0.377 18.662 19.000 0.065 0.000 0.821 336 A HN 1.229 nan 8.150 nan 0.000 0.449 337 A N -2.309 120.617 122.820 0.178 0.000 2.597 337 A HA 0.599 4.920 4.320 0.001 0.000 0.292 337 A C -2.682 174.814 177.584 -0.146 0.000 1.057 337 A CA -0.758 51.344 52.037 0.108 0.000 0.674 337 A CB -0.110 18.956 19.000 0.110 0.000 1.278 337 A HN -0.099 nan 8.150 nan 0.000 0.416 338 P HA 0.073 nan 4.420 nan 0.000 0.231 338 P C -0.292 177.064 177.300 0.093 0.000 1.158 338 P CA 1.193 64.177 63.100 -0.193 0.000 0.763 338 P CB -0.028 31.523 31.700 -0.247 0.000 0.805 339 I N -0.478 120.147 120.570 0.090 0.000 2.497 339 I HA 0.222 4.392 4.170 0.001 0.000 0.284 339 I C -0.419 175.797 176.117 0.165 0.000 1.060 339 I CA -0.684 60.706 61.300 0.150 0.000 1.071 339 I CB 1.970 40.016 38.000 0.077 0.000 1.216 339 I HN -0.273 nan 8.210 nan 0.000 0.442 340 L N 4.299 125.678 121.223 0.259 0.000 2.334 340 L HA 0.405 4.746 4.340 0.001 0.000 0.272 340 L C 1.313 178.340 176.870 0.261 0.000 1.020 340 L CA -0.334 54.648 54.840 0.236 0.000 0.812 340 L CB 2.147 44.366 42.059 0.266 0.000 1.264 340 L HN 0.679 nan 8.230 nan 0.000 0.439 341 S N 1.335 117.148 115.700 0.188 0.000 2.528 341 S HA 0.174 4.644 4.470 0.001 0.000 0.219 341 S C 0.571 175.315 174.600 0.239 0.000 0.985 341 S CA -0.212 58.101 58.200 0.188 0.000 0.914 341 S CB 0.165 63.431 63.200 0.110 0.000 0.776 341 S HN 0.690 nan 8.310 nan 0.000 0.526 342 R N -0.208 120.386 120.500 0.158 0.000 2.626 342 R HA 0.431 4.771 4.340 0.001 0.000 0.274 342 R C -1.471 174.698 176.300 -0.219 0.000 1.031 342 R CA -0.761 55.338 56.100 -0.002 0.000 0.898 342 R CB 0.995 31.308 30.300 0.021 0.000 1.222 342 R HN 0.168 nan 8.270 nan 0.000 0.455 343 M N 3.035 122.283 119.600 -0.586 0.000 3.436 343 M HA 0.198 4.678 4.480 0.001 0.000 0.240 343 M C -1.397 174.840 176.300 -0.104 0.000 1.469 343 M CA -0.170 54.857 55.300 -0.454 0.000 1.622 343 M CB -0.060 32.198 32.600 -0.570 0.000 1.098 343 M HN 0.394 nan 8.290 nan 0.000 0.568 344 V N 1.977 121.871 119.914 -0.034 0.000 2.888 344 V HA 0.996 5.116 4.120 0.001 0.000 0.309 344 V C -0.258 175.837 176.094 0.002 0.000 1.114 344 V CA -0.083 62.216 62.300 -0.002 0.000 0.940 344 V CB 2.163 33.986 31.823 -0.000 0.000 1.021 344 V HN 0.665 nan 8.190 nan 0.000 0.426 345 G N 4.595 113.399 108.800 0.006 0.000 2.682 345 G HA2 0.629 4.590 3.960 0.001 0.000 0.290 345 G HA3 0.629 4.590 3.960 0.001 0.000 0.290 345 G C -1.598 173.309 174.900 0.012 0.000 1.425 345 G CA -0.956 44.141 45.100 -0.006 0.000 0.807 345 G HN 0.664 nan 8.290 nan 0.000 0.482 346 M N 1.293 120.898 119.600 0.008 0.000 2.268 346 M HA 0.369 4.850 4.480 0.001 0.000 0.344 346 M C -0.076 176.235 176.300 0.020 0.000 1.106 346 M CA -0.870 54.439 55.300 0.016 0.000 1.010 346 M CB 1.850 34.456 32.600 0.010 0.000 1.649 346 M HN 0.182 nan 8.290 nan 0.000 0.443 347 I N 1.976 122.563 120.570 0.028 0.000 2.943 347 I HA -0.089 4.081 4.170 0.001 0.000 0.296 347 I C 0.925 177.055 176.117 0.021 0.000 1.220 347 I CA 0.629 61.947 61.300 0.029 0.000 1.409 347 I CB -0.329 37.693 38.000 0.036 0.000 1.374 347 I HN 0.753 nan 8.210 nan 0.000 0.545 348 S N 4.997 120.709 115.700 0.019 0.000 2.575 348 S HA 0.224 4.694 4.470 0.001 0.000 0.295 348 S C 1.267 175.873 174.600 0.010 0.000 1.267 348 S CA 0.838 59.044 58.200 0.011 0.000 1.074 348 S CB -0.050 63.155 63.200 0.008 0.000 0.829 348 S HN 1.105 nan 8.310 nan 0.000 0.497 349 G N 2.844 111.648 108.800 0.007 0.000 2.195 349 G HA2 -0.234 3.726 3.960 0.001 0.000 0.246 349 G HA3 -0.234 3.726 3.960 0.001 0.000 0.246 349 G C 0.268 175.175 174.900 0.011 0.000 0.984 349 G CA 0.667 45.772 45.100 0.009 0.000 0.633 349 G HN 1.392 nan 8.290 nan 0.000 0.525 350 T N -3.123 111.439 114.554 0.012 0.000 2.907 350 T HA 0.678 5.029 4.350 0.001 0.000 0.290 350 T C 1.141 175.848 174.700 0.012 0.000 1.066 350 T CA 0.945 63.053 62.100 0.014 0.000 1.012 350 T CB 1.721 70.601 68.868 0.019 0.000 1.184 350 T HN 0.867 nan 8.240 nan 0.000 0.522 351 T N -2.302 112.259 114.554 0.012 0.000 3.069 351 T HA 0.191 4.541 4.350 0.001 0.000 0.252 351 T C 0.689 175.398 174.700 0.015 0.000 1.053 351 T CA -0.164 61.943 62.100 0.011 0.000 0.964 351 T CB -0.645 68.228 68.868 0.009 0.000 1.005 351 T HN 0.681 nan 8.240 nan 0.000 0.532 352 T N 3.729 118.294 114.554 0.019 0.000 2.758 352 T HA 0.049 4.399 4.350 0.001 0.000 0.249 352 T C 0.140 174.855 174.700 0.026 0.000 1.011 352 T CA 0.315 62.429 62.100 0.024 0.000 1.301 352 T CB -0.298 68.587 68.868 0.029 0.000 0.992 352 T HN 0.481 nan 8.240 nan 0.000 0.549 353 E N 2.556 122.770 120.200 0.024 0.000 2.383 353 E HA 0.292 4.643 4.350 0.001 0.000 0.264 353 E C 0.303 176.922 176.600 0.032 0.000 1.050 353 E CA -0.331 56.084 56.400 0.024 0.000 0.896 353 E CB 0.609 30.321 29.700 0.020 0.000 0.982 353 E HN 0.407 nan 8.360 nan 0.000 0.424 354 R N 2.746 123.268 120.500 0.036 0.000 2.536 354 R HA 0.059 4.399 4.340 0.001 0.000 0.269 354 R C -1.238 175.094 176.300 0.053 0.000 1.113 354 R CA -0.633 55.497 56.100 0.049 0.000 0.948 354 R CB 1.294 31.633 30.300 0.065 0.000 1.237 354 R HN 0.519 nan 8.270 nan 0.000 0.441 355 E N 4.529 124.762 120.200 0.055 0.000 2.493 355 E HA -0.031 4.319 4.350 0.001 0.000 0.255 355 E C 0.768 177.435 176.600 0.111 0.000 0.999 355 E CA 0.354 56.791 56.400 0.061 0.000 0.934 355 E CB 0.762 30.491 29.700 0.048 0.000 0.940 355 E HN 0.512 nan 8.360 nan 0.000 0.473 356 L N 3.131 124.432 121.223 0.130 0.000 2.298 356 L HA 0.199 4.540 4.340 0.001 0.000 0.209 356 L C 0.893 178.072 176.870 0.515 0.000 1.084 356 L CA 0.242 55.224 54.840 0.237 0.000 0.816 356 L CB 0.352 42.405 42.059 -0.011 0.000 0.967 356 L HN 0.451 nan 8.230 nan 0.000 0.460 357 W N -0.276 121.086 121.300 0.104 0.000 3.707 357 W HA 0.154 4.815 4.660 0.001 0.000 0.294 357 W C -1.184 175.293 176.519 -0.070 0.000 1.248 357 W CA -0.386 56.971 57.345 0.019 0.000 1.217 357 W CB 2.004 31.438 29.460 -0.042 0.000 1.306 357 W HN -0.156 nan 8.180 nan 0.000 0.532 358 D N 1.538 121.412 120.400 -0.877 0.000 2.498 358 D HA 0.029 4.670 4.640 0.001 0.000 0.223 358 D C -0.384 175.593 176.300 -0.539 0.000 1.125 358 D CA 0.622 54.343 54.000 -0.466 0.000 0.835 358 D CB 0.518 41.126 40.800 -0.320 0.000 1.086 358 D HN 0.213 nan 8.370 nan 0.000 0.510 359 D N 0.304 120.086 120.400 -1.030 0.000 2.514 359 D HA 0.134 4.774 4.640 0.001 0.000 0.267 359 D C -0.936 175.362 176.300 -0.002 0.000 1.165 359 D CA -0.472 53.295 54.000 -0.389 0.000 0.958 359 D CB -0.121 40.438 40.800 -0.402 0.000 0.992 359 D HN -0.086 nan 8.370 nan 0.000 0.506 360 W N 2.296 123.736 121.300 0.234 0.000 2.376 360 W HA 0.661 5.322 4.660 0.000 0.000 0.322 360 W C 0.332 176.928 176.519 0.128 0.000 1.160 360 W CA -1.040 56.449 57.345 0.240 0.000 1.218 360 W CB 1.317 30.893 29.460 0.194 0.000 1.205 360 W HN 0.240 nan 8.180 nan 0.000 0.559 361 A N 4.122 127.138 122.820 0.327 0.000 2.337 361 A HA 0.755 5.075 4.320 0.001 0.000 0.329 361 A C -2.534 175.160 177.584 0.184 0.000 1.146 361 A CA -1.966 50.173 52.037 0.171 0.000 0.800 361 A CB 0.581 19.602 19.000 0.036 0.000 1.220 361 A HN 0.372 nan 8.150 nan 0.000 0.472 362 P HA 0.221 nan 4.420 nan 0.000 0.267 362 P C -1.236 176.167 177.300 0.172 0.000 1.200 362 P CA 0.707 63.876 63.100 0.115 0.000 0.772 362 P CB 0.073 31.812 31.700 0.064 0.000 0.855 363 Y N 2.235 122.534 120.300 -0.003 0.000 2.287 363 Y HA 0.138 4.688 4.550 0.001 0.000 0.321 363 Y C 0.271 176.155 175.900 -0.027 0.000 1.173 363 Y CA -0.322 57.769 58.100 -0.016 0.000 1.124 363 Y CB 0.697 39.149 38.460 -0.013 0.000 1.201 363 Y HN 0.549 nan 8.280 nan 0.000 0.421 364 E N 1.981 121.928 120.200 -0.421 0.000 3.229 364 E HA -0.313 4.037 4.350 0.001 0.000 0.354 364 E C -0.188 176.334 176.600 -0.130 0.000 1.487 364 E CA 1.752 57.973 56.400 -0.299 0.000 1.617 364 E CB -0.891 28.608 29.700 -0.335 0.000 1.768 364 E HN 0.806 nan 8.360 nan 0.000 0.497 365 D N 1.365 121.708 120.400 -0.096 0.000 2.388 365 D HA 0.415 5.056 4.640 0.001 0.000 0.221 365 D C 0.530 176.803 176.300 -0.046 0.000 1.133 365 D CA -0.079 53.884 54.000 -0.061 0.000 0.831 365 D CB 0.448 41.213 40.800 -0.059 0.000 0.962 365 D HN 0.117 nan 8.370 nan 0.000 0.502 366 V N -0.518 119.384 119.914 -0.020 0.000 3.105 366 V HA 0.483 4.604 4.120 0.001 0.000 0.311 366 V C -0.752 175.365 176.094 0.038 0.000 1.282 366 V CA -0.999 61.293 62.300 -0.014 0.000 1.065 366 V CB 2.565 34.389 31.823 0.002 0.000 1.136 366 V HN -0.007 nan 8.190 nan 0.000 0.469 367 E N 0.552 120.750 120.200 -0.002 0.000 2.312 367 E HA 0.636 4.987 4.350 0.001 0.000 0.267 367 E C -1.245 175.445 176.600 0.150 0.000 0.894 367 E CA -0.574 55.876 56.400 0.083 0.000 0.773 367 E CB 3.227 32.938 29.700 0.018 0.000 1.241 367 E HN 0.495 nan 8.360 nan 0.000 0.432 368 I N 0.706 121.435 120.570 0.264 0.000 2.646 368 I HA 0.631 4.801 4.170 0.001 0.000 0.299 368 I C -0.317 175.983 176.117 0.305 0.000 1.036 368 I CA -0.383 61.018 61.300 0.169 0.000 1.074 368 I CB 1.720 39.586 38.000 -0.224 0.000 1.258 368 I HN 0.683 nan 8.210 nan 0.000 0.430 369 G N 4.993 113.886 108.800 0.156 0.000 3.209 369 G HA2 0.585 4.545 3.960 0.001 0.000 0.236 369 G HA3 0.585 4.545 3.960 0.001 0.000 0.236 369 G C -3.009 171.682 174.900 -0.348 0.000 1.329 369 G CA -1.392 43.548 45.100 -0.266 0.000 1.015 369 G HN 0.313 nan 8.290 nan 0.000 0.571 370 P HA 0.104 nan 4.420 nan 0.000 0.265 370 P C -0.295 176.943 177.300 -0.104 0.000 1.193 370 P CA 0.266 63.182 63.100 -0.308 0.000 0.765 370 P CB 0.332 31.607 31.700 -0.709 0.000 0.823 371 N N 2.299 121.008 118.700 0.015 0.000 2.741 371 N HA -0.209 4.532 4.740 0.001 0.000 0.251 371 N C 0.926 176.435 175.510 -0.003 0.000 1.112 371 N CA 1.836 54.929 53.050 0.071 0.000 0.750 371 N CB -1.812 36.768 38.487 0.155 0.000 1.119 371 N HN 0.840 nan 8.380 nan 0.000 0.561 372 G N -2.575 106.177 108.800 -0.080 0.000 2.179 372 G HA2 -0.277 3.684 3.960 0.001 0.000 0.220 372 G HA3 -0.277 3.684 3.960 0.001 0.000 0.220 372 G C 0.011 174.848 174.900 -0.105 0.000 0.990 372 G CA 0.059 45.078 45.100 -0.134 0.000 0.646 372 G HN 0.474 nan 8.290 nan 0.000 0.517 373 V N 1.627 121.501 119.914 -0.067 0.000 2.740 373 V HA 0.479 4.599 4.120 0.001 0.000 0.303 373 V C 0.973 177.101 176.094 0.056 0.000 1.054 373 V CA 0.277 62.520 62.300 -0.095 0.000 1.106 373 V CB 1.420 33.133 31.823 -0.184 0.000 0.957 373 V HN 0.338 nan 8.190 nan 0.000 0.486 374 L N 4.929 126.144 121.223 -0.014 0.000 2.362 374 L HA 0.625 4.966 4.340 0.001 0.000 0.271 374 L C 0.022 176.744 176.870 -0.246 0.000 1.002 374 L CA -0.647 54.161 54.840 -0.052 0.000 0.818 374 L CB 2.035 44.045 42.059 -0.083 0.000 1.298 374 L HN 0.602 nan 8.230 nan 0.000 0.420 375 R N 1.811 122.006 120.500 -0.508 0.000 2.265 375 R HA 0.541 4.881 4.340 0.001 0.000 0.328 375 R C -0.757 175.192 176.300 -0.584 0.000 0.969 375 R CA -0.186 55.351 56.100 -0.938 0.000 0.832 375 R CB 1.310 30.656 30.300 -1.590 0.000 1.139 375 R HN 0.797 nan 8.270 nan 0.000 0.457 376 T N -0.255 113.983 114.554 -0.526 0.000 2.907 376 T HA 0.230 4.580 4.350 0.001 0.000 0.290 376 T C 0.852 175.378 174.700 -0.291 0.000 1.066 376 T CA -0.790 61.125 62.100 -0.308 0.000 1.012 376 T CB 1.794 70.542 68.868 -0.200 0.000 1.184 376 T HN 0.348 nan 8.240 nan 0.000 0.522 377 S N 0.546 116.135 115.700 -0.185 0.000 2.440 377 S HA -0.047 4.424 4.470 0.001 0.000 0.238 377 S C 1.613 176.145 174.600 -0.115 0.000 1.010 377 S CA 1.251 59.368 58.200 -0.138 0.000 0.972 377 S CB -0.437 62.707 63.200 -0.093 0.000 0.774 377 S HN 0.784 nan 8.310 nan 0.000 0.501 378 S N 0.714 116.346 115.700 -0.113 0.000 2.597 378 S HA 0.551 5.021 4.470 0.001 0.000 0.224 378 S C 0.830 175.387 174.600 -0.071 0.000 0.955 378 S CA 0.030 58.187 58.200 -0.072 0.000 0.933 378 S CB 0.343 63.512 63.200 -0.051 0.000 0.788 378 S HN 0.730 nan 8.310 nan 0.000 0.488 379 G N 0.967 109.682 108.800 -0.141 0.000 2.422 379 G HA2 -0.086 3.875 3.960 0.001 0.000 0.607 379 G HA3 -0.086 3.875 3.960 0.001 0.000 0.607 379 G C -1.416 173.321 174.900 -0.273 0.000 1.270 379 G CA -1.178 43.850 45.100 -0.119 0.000 0.992 379 G HN 0.196 nan 8.290 nan 0.000 0.499 380 Y N 1.185 121.462 120.300 -0.038 0.000 2.350 380 Y HA 0.600 5.151 4.550 0.000 0.000 0.340 380 Y C 0.999 176.884 175.900 -0.025 0.000 1.006 380 Y CA -0.177 57.878 58.100 -0.075 0.000 1.166 380 Y CB 1.582 40.034 38.460 -0.013 0.000 1.168 380 Y HN 0.337 nan 8.280 nan 0.000 0.502 381 K N 4.494 124.888 120.400 -0.010 0.000 2.394 381 K HA 0.380 4.700 4.320 0.001 0.000 0.260 381 K C -1.464 175.105 176.600 -0.051 0.000 0.967 381 K CA -0.608 55.695 56.287 0.027 0.000 0.855 381 K CB 1.077 33.568 32.500 -0.014 0.000 1.101 381 K HN 0.413 nan 8.250 nan 0.000 0.433 382 F N 3.511 123.475 119.950 0.024 0.000 2.410 382 F HA 0.268 4.795 4.527 0.000 0.000 0.348 382 F C -1.737 174.063 175.800 -0.000 0.000 1.106 382 F CA -2.367 55.644 58.000 0.018 0.000 1.163 382 F CB 0.530 39.523 39.000 -0.012 0.000 1.129 382 F HN 0.308 nan 8.300 nan 0.000 0.516 383 P HA 0.045 nan 4.420 nan 0.000 0.265 383 P C 0.828 178.202 177.300 0.122 0.000 1.193 383 P CA 0.200 63.354 63.100 0.089 0.000 0.765 383 P CB 0.598 32.330 31.700 0.053 0.000 0.823 384 L N 2.033 123.313 121.223 0.095 0.000 2.141 384 L HA -0.198 4.143 4.340 0.001 0.000 0.209 384 L C 2.115 179.064 176.870 0.131 0.000 1.094 384 L CA 1.440 56.329 54.840 0.082 0.000 0.763 384 L CB -0.688 41.409 42.059 0.064 0.000 0.908 384 L HN 0.448 nan 8.230 nan 0.000 0.437 385 Y N 0.407 120.764 120.300 0.094 0.000 2.165 385 Y HA -0.374 4.176 4.550 0.000 0.000 0.286 385 Y C 2.801 178.802 175.900 0.168 0.000 1.155 385 Y CA 2.012 60.212 58.100 0.167 0.000 1.164 385 Y CB -0.037 38.582 38.460 0.265 0.000 0.978 385 Y HN 0.087 nan 8.280 nan 0.000 0.513 386 M N -0.613 119.123 119.600 0.226 0.000 2.080 386 M HA -0.244 4.236 4.480 0.001 0.000 0.260 386 M C 1.775 178.134 176.300 0.098 0.000 1.068 386 M CA 1.822 57.218 55.300 0.161 0.000 1.109 386 M CB -0.269 32.456 32.600 0.208 0.000 1.342 386 M HN 0.284 nan 8.290 nan 0.000 0.405 387 I N 0.503 121.108 120.570 0.059 0.000 2.142 387 I HA -0.185 3.985 4.170 0.001 0.000 0.240 387 I C 2.710 178.847 176.117 0.033 0.000 1.078 387 I CA 1.868 63.163 61.300 -0.009 0.000 1.343 387 I CB -2.277 35.629 38.000 -0.157 0.000 1.046 387 I HN 0.432 nan 8.210 nan 0.000 0.405 388 G N -0.291 108.505 108.800 -0.007 0.000 2.418 388 G HA2 -0.285 3.675 3.960 0.001 0.000 0.217 388 G HA3 -0.285 3.675 3.960 0.001 0.000 0.217 388 G C 1.704 176.566 174.900 -0.063 0.000 1.158 388 G CA 0.726 45.809 45.100 -0.029 0.000 0.771 388 G HN 0.428 nan 8.290 nan 0.000 0.545 389 H N 1.209 120.139 119.070 -0.233 0.000 2.387 389 H HA -0.067 4.490 4.556 0.000 0.000 0.299 389 H C 2.744 178.033 175.328 -0.065 0.000 1.090 389 H CA 1.588 57.510 56.048 -0.210 0.000 1.332 389 H CB -0.401 29.196 29.762 -0.274 0.000 1.386 389 H HN 0.322 nan 8.280 nan 0.000 0.516 390 G N 0.334 109.218 108.800 0.139 0.000 2.402 390 G HA2 -0.217 3.744 3.960 0.001 0.000 0.216 390 G HA3 -0.217 3.744 3.960 0.001 0.000 0.216 390 G C 1.926 176.874 174.900 0.082 0.000 1.162 390 G CA 0.689 45.864 45.100 0.126 0.000 0.777 390 G HN 0.325 nan 8.290 nan 0.000 0.539 391 M N -0.334 119.316 119.600 0.084 0.000 2.117 391 M HA 0.015 4.495 4.480 0.001 0.000 0.262 391 M C 2.425 178.729 176.300 0.006 0.000 1.065 391 M CA 0.997 56.338 55.300 0.067 0.000 1.114 391 M CB -0.343 32.320 32.600 0.104 0.000 1.361 391 M HN 0.282 nan 8.290 nan 0.000 0.408 392 L N 0.803 121.999 121.223 -0.044 0.000 2.005 392 L HA -0.188 4.153 4.340 0.001 0.000 0.207 392 L C 1.775 178.602 176.870 -0.072 0.000 1.072 392 L CA 2.051 56.836 54.840 -0.091 0.000 0.744 392 L CB -0.798 41.148 42.059 -0.189 0.000 0.895 392 L HN 0.196 nan 8.230 nan 0.000 0.433 393 D N -0.967 119.390 120.400 -0.073 0.000 2.144 393 D HA -0.190 4.450 4.640 0.001 0.000 0.199 393 D C 2.332 178.657 176.300 0.042 0.000 0.984 393 D CA 1.477 55.469 54.000 -0.013 0.000 0.834 393 D CB -0.195 40.623 40.800 0.031 0.000 0.955 393 D HN 0.489 nan 8.370 nan 0.000 0.465 394 S N 0.432 116.156 115.700 0.039 0.000 2.355 394 S HA -0.150 4.321 4.470 0.001 0.000 0.222 394 S C 1.538 176.173 174.600 0.059 0.000 1.031 394 S CA 1.154 59.390 58.200 0.060 0.000 0.993 394 S CB -0.059 63.163 63.200 0.037 0.000 0.859 394 S HN -0.036 nan 8.310 nan 0.000 0.453 395 D N 1.403 121.815 120.400 0.020 0.000 2.123 395 D HA -0.053 4.587 4.640 0.001 0.000 0.196 395 D C 1.969 178.273 176.300 0.007 0.000 0.992 395 D CA 1.063 55.066 54.000 0.005 0.000 0.833 395 D CB -0.464 40.329 40.800 -0.012 0.000 0.954 395 D HN 0.408 nan 8.370 nan 0.000 0.455 396 L N -0.178 121.052 121.223 0.012 0.000 2.046 396 L HA -0.210 4.130 4.340 0.001 0.000 0.208 396 L C 2.436 179.332 176.870 0.044 0.000 1.077 396 L CA 1.231 56.080 54.840 0.015 0.000 0.747 396 L CB -0.491 41.573 42.059 0.009 0.000 0.896 396 L HN 0.149 nan 8.230 nan 0.000 0.432 397 H N 0.226 119.292 119.070 -0.008 0.000 2.357 397 H HA -0.125 4.431 4.556 0.000 0.000 0.301 397 H C 2.182 177.508 175.328 -0.003 0.000 1.082 397 H CA 1.528 57.577 56.048 0.002 0.000 1.342 397 H CB -0.057 29.711 29.762 0.009 0.000 1.389 397 H HN 0.137 nan 8.280 nan 0.000 0.511 398 L N -0.411 120.771 121.223 -0.069 0.000 2.127 398 L HA -0.149 4.191 4.340 0.001 0.000 0.211 398 L C 2.021 178.821 176.870 -0.117 0.000 1.089 398 L CA 1.523 56.295 54.840 -0.113 0.000 0.757 398 L CB -0.213 41.829 42.059 -0.028 0.000 0.899 398 L HN 0.308 nan 8.230 nan 0.000 0.434 399 S N -1.326 114.326 115.700 -0.080 0.000 2.524 399 S HA -0.022 4.449 4.470 0.001 0.000 0.216 399 S C 1.716 176.278 174.600 -0.064 0.000 0.987 399 S CA 0.655 58.819 58.200 -0.061 0.000 0.909 399 S CB 0.216 63.394 63.200 -0.038 0.000 0.781 399 S HN 0.501 nan 8.310 nan 0.000 0.521 400 S N 1.154 116.806 115.700 -0.079 0.000 2.671 400 S HA 0.213 4.683 4.470 0.001 0.000 0.220 400 S C 0.279 174.841 174.600 -0.064 0.000 0.951 400 S CA -0.301 57.868 58.200 -0.050 0.000 0.932 400 S CB -0.432 62.759 63.200 -0.016 0.000 0.777 400 S HN 0.225 nan 8.310 nan 0.000 0.508 401 K N 2.753 123.096 120.400 -0.094 0.000 2.320 401 K HA 0.205 4.525 4.320 0.001 0.000 0.273 401 K C 0.147 176.706 176.600 -0.069 0.000 1.146 401 K CA 0.057 56.292 56.287 -0.086 0.000 1.144 401 K CB -0.073 32.371 32.500 -0.093 0.000 0.878 401 K HN 0.491 nan 8.250 nan 0.000 0.458 402 A N 3.697 126.478 122.820 -0.064 0.000 2.331 402 A HA 0.167 4.487 4.320 0.001 0.000 0.283 402 A C -0.152 177.353 177.584 -0.132 0.000 1.142 402 A CA -0.547 51.442 52.037 -0.081 0.000 0.812 402 A CB 0.727 19.693 19.000 -0.057 0.000 1.074 402 A HN 0.596 nan 8.150 nan 0.000 0.497 403 Q N 0.750 120.438 119.800 -0.186 0.000 2.259 403 Q HA 0.478 4.818 4.340 0.001 0.000 0.246 403 Q C -0.455 175.338 176.000 -0.345 0.000 0.920 403 Q CA -0.082 55.589 55.803 -0.219 0.000 0.895 403 Q CB 1.509 30.136 28.738 -0.186 0.000 1.220 403 Q HN 0.515 nan 8.270 nan 0.000 0.439 404 V N 4.595 124.367 119.914 -0.237 0.000 2.530 404 V HA 0.167 4.287 4.120 0.001 0.000 0.282 404 V C -0.178 175.797 176.094 -0.199 0.000 1.048 404 V CA -0.186 61.998 62.300 -0.194 0.000 0.997 404 V CB 0.019 31.816 31.823 -0.043 0.000 0.987 404 V HN 0.597 nan 8.190 nan 0.000 0.477 405 F N 3.977 123.909 119.950 -0.029 0.000 2.518 405 F HA 0.306 4.833 4.527 -0.000 0.000 0.359 405 F C 0.968 176.876 175.800 0.179 0.000 1.118 405 F CA -0.152 57.833 58.000 -0.026 0.000 1.287 405 F CB 0.345 39.226 39.000 -0.198 0.000 1.132 405 F HN 0.603 nan 8.300 nan 0.000 0.587 406 E N 1.235 121.650 120.200 0.358 0.000 2.359 406 E HA 0.373 4.723 4.350 0.001 0.000 0.266 406 E C -1.196 175.570 176.600 0.277 0.000 0.920 406 E CA -1.039 55.553 56.400 0.319 0.000 0.788 406 E CB 1.432 31.236 29.700 0.174 0.000 1.279 406 E HN 0.520 nan 8.360 nan 0.000 0.438 407 H N 0.693 119.849 119.070 0.143 0.000 2.764 407 H HA 0.057 4.613 4.556 0.001 0.000 0.341 407 H C -1.521 173.859 175.328 0.087 0.000 1.072 407 H CA -1.287 54.822 56.048 0.102 0.000 1.444 407 H CB 0.910 30.681 29.762 0.014 0.000 1.458 407 H HN 0.430 nan 8.280 nan 0.000 0.572 408 P HA -0.111 nan 4.420 nan 0.000 0.215 408 P C 0.393 177.809 177.300 0.194 0.000 1.157 408 P CA 1.371 64.560 63.100 0.147 0.000 0.863 408 P CB 0.326 32.093 31.700 0.112 0.000 0.787 409 H N 0.000 119.114 119.070 0.074 0.000 2.539 409 H HA 0.000 4.556 4.556 0.000 0.000 0.296 409 H CA 0.000 56.071 56.048 0.039 0.000 1.023 409 H CB 0.000 29.780 29.762 0.030 0.000 1.292 409 H HN 0.000 nan 8.280 nan 0.000 0.496