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 2rfy_1_D DATA FIRST_RESID 2 DATA SEQUENCE RAGNETPENH PPLTWQRcTA PGNcQTVNAE VVIDANWRWL HDDNMQNcYD DATA SEQUENCE GNQWTNAcST ATDcAEKcMI EGAGDYLGTY GASTSGDALT LKFVTKHEYG DATA SEQUENCE TNVGSRFYLM NGPDKYQMFN LMGNELAFDV DLSTVEcGIN SALYFVAMEE DATA SEQUENCE DGGMASYPSN QAGARYGTGY cDAQcARDLK FVGGKANIEG WKSSTSDPNA DATA SEQUENCE GVGPYGSccA EIDVWESNAY AFAFTPHAcT TNEYHVcETT NcGGTYSEDR DATA SEQUENCE FAGKcDANGc DYNPYRMGNP DFYGKGKTLD TSRKFTVVSR FEENKLSQYF DATA SEQUENCE IQDGRKIEIP PPTWEGMPNS SEITPELcST MFDVFNDRNR FEEVGGFEQL DATA SEQUENCE NNALRVPMVL VMSIWDDHYA NMLWLDSIYP PEKEGQPGAA RGDcPTDSGV DATA SEQUENCE PAEVEAQFPD AQVVWSNIRF GPIGSTYDF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.068 176.300 -0.386 0.000 0.893 2 R CA 0.000 55.941 56.100 -0.266 0.000 0.921 2 R CB 0.000 30.190 30.300 -0.183 0.000 0.687 3 A N 0.726 123.349 122.820 -0.328 0.000 2.440 3 A HA 0.602 3.884 4.320 -1.729 0.000 0.251 3 A C 0.474 177.878 177.584 -0.300 0.000 1.089 3 A CA 0.505 52.287 52.037 -0.425 0.000 0.779 3 A CB 0.218 19.186 19.000 -0.054 0.000 1.022 3 A HN 0.736 nan 8.150 nan 0.000 0.492 4 G N 0.341 108.931 108.800 -0.350 0.000 2.502 4 G HA2 0.449 3.372 3.960 -1.729 0.000 0.305 4 G HA3 0.449 3.372 3.960 -1.729 0.000 0.305 4 G C -0.085 174.773 174.900 -0.070 0.000 1.190 4 G CA -0.626 44.323 45.100 -0.252 0.000 0.933 4 G HN 0.733 nan 8.290 nan 0.000 0.503 5 N N -0.659 118.035 118.700 -0.009 0.000 2.238 5 N HA 0.148 3.851 4.740 -1.729 0.000 0.235 5 N C 0.758 176.295 175.510 0.047 0.000 1.209 5 N CA -0.215 52.850 53.050 0.026 0.000 0.879 5 N CB 1.377 39.874 38.487 0.017 0.000 1.136 5 N HN 0.318 nan 8.380 nan 0.000 0.517 6 E N 0.070 120.299 120.200 0.050 0.000 2.170 6 E HA 0.112 3.425 4.350 -1.729 0.000 0.191 6 E C -0.181 176.513 176.600 0.156 0.000 0.981 6 E CA 0.980 57.434 56.400 0.089 0.000 0.830 6 E CB 0.315 30.046 29.700 0.052 0.000 0.775 6 E HN 0.074 nan 8.360 nan 0.000 0.470 7 T N 1.990 116.638 114.554 0.157 0.000 3.050 7 T HA 0.330 3.642 4.350 -1.729 0.000 0.310 7 T C -2.798 171.982 174.700 0.133 0.000 0.978 7 T CA -1.596 60.603 62.100 0.164 0.000 1.013 7 T CB 2.039 71.045 68.868 0.231 0.000 1.000 7 T HN -0.229 nan 8.240 nan 0.000 0.447 8 P HA 0.085 nan 4.420 nan 0.000 0.263 8 P C -0.316 177.012 177.300 0.046 0.000 1.175 8 P CA -0.000 63.133 63.100 0.055 0.000 0.761 8 P CB 0.461 32.183 31.700 0.037 0.000 0.794 9 E N 3.490 123.680 120.200 -0.016 0.000 2.014 9 E HA 0.135 3.448 4.350 -1.729 0.000 0.275 9 E C -0.813 175.697 176.600 -0.149 0.000 0.997 9 E CA -0.343 56.007 56.400 -0.084 0.000 0.804 9 E CB -0.587 28.941 29.700 -0.287 0.000 1.090 9 E HN 0.194 nan 8.360 nan 0.000 0.401 10 N N 3.796 122.501 118.700 0.008 0.000 2.469 10 N HA 0.165 3.867 4.740 -1.729 0.000 0.253 10 N C -0.924 174.644 175.510 0.097 0.000 0.970 10 N CA -0.458 52.586 53.050 -0.011 0.000 0.940 10 N CB 0.619 39.147 38.487 0.068 0.000 1.128 10 N HN 0.518 nan 8.380 nan 0.000 0.503 11 H N 1.327 120.434 119.070 0.060 0.000 2.803 11 H HA 0.162 3.681 4.556 -1.728 0.000 0.330 11 H C -1.868 173.443 175.328 -0.029 0.000 1.057 11 H CA -1.405 54.636 56.048 -0.012 0.000 1.458 11 H CB 0.398 30.148 29.762 -0.021 0.000 1.470 11 H HN 0.278 nan 8.280 nan 0.000 0.560 12 P HA 0.015 nan 4.420 nan 0.000 0.271 12 P C -2.437 174.884 177.300 0.036 0.000 1.226 12 P CA -1.185 61.913 63.100 -0.002 0.000 0.765 12 P CB 0.304 31.943 31.700 -0.102 0.000 0.835 13 P HA 0.128 nan 4.420 nan 0.000 0.269 13 P C -0.969 176.367 177.300 0.059 0.000 1.215 13 P CA 0.084 63.222 63.100 0.063 0.000 0.780 13 P CB 0.540 32.274 31.700 0.057 0.000 0.898 14 L N 2.123 123.399 121.223 0.089 0.000 2.516 14 L HA 0.384 3.686 4.340 -1.729 0.000 0.267 14 L C -0.213 176.761 176.870 0.174 0.000 0.957 14 L CA -0.197 54.708 54.840 0.108 0.000 0.860 14 L CB 1.635 43.750 42.059 0.094 0.000 1.265 14 L HN 0.508 nan 8.230 nan 0.000 0.403 15 T N 1.987 116.632 114.554 0.150 0.000 2.913 15 T HA 0.734 4.046 4.350 -1.729 0.000 0.287 15 T C -0.455 174.416 174.700 0.284 0.000 1.008 15 T CA -0.360 61.832 62.100 0.154 0.000 1.067 15 T CB 0.988 69.902 68.868 0.076 0.000 0.996 15 T HN 0.752 nan 8.240 nan 0.000 0.513 16 W N 0.601 121.942 121.300 0.068 0.000 2.988 16 W HA 0.553 4.177 4.660 -1.727 0.000 0.355 16 W C -1.992 174.587 176.519 0.100 0.000 1.233 16 W CA -1.094 56.308 57.345 0.095 0.000 1.176 16 W CB 1.001 30.537 29.460 0.126 0.000 1.477 16 W HN 0.696 nan 8.180 nan 0.000 0.582 17 Q N 1.534 121.521 119.800 0.312 0.000 2.356 17 Q HA 0.447 3.750 4.340 -1.729 0.000 0.270 17 Q C -0.684 175.358 176.000 0.070 0.000 1.058 17 Q CA -1.025 54.769 55.803 -0.015 0.000 0.802 17 Q CB 3.451 32.218 28.738 0.048 0.000 1.303 17 Q HN 0.307 nan 8.270 nan 0.000 0.444 18 R N 1.485 121.868 120.500 -0.194 0.000 2.215 18 R HA 0.383 3.686 4.340 -1.729 0.000 0.337 18 R C -1.054 175.297 176.300 0.086 0.000 1.010 18 R CA -0.216 55.908 56.100 0.039 0.000 0.871 18 R CB 0.335 30.555 30.300 -0.134 0.000 1.134 18 R HN 0.655 nan 8.270 nan 0.000 0.477 19 c N 2.129 120.824 118.600 0.158 0.000 2.350 19 c HA 0.240 3.773 4.570 -1.729 0.000 0.348 19 c C 2.066 176.201 174.090 0.075 0.000 1.260 19 c CA -0.641 55.734 56.329 0.077 0.000 1.966 19 c CB 1.368 43.907 42.510 0.048 0.000 2.380 19 c HN 0.844 nan 8.230 nan 0.000 0.535 20 T N -0.401 114.178 114.554 0.041 0.000 3.010 20 T HA 0.448 3.761 4.350 -1.729 0.000 0.252 20 T C 0.445 175.160 174.700 0.025 0.000 1.047 20 T CA 0.807 62.928 62.100 0.035 0.000 1.140 20 T CB 0.129 69.010 68.868 0.021 0.000 0.885 20 T HN 1.308 nan 8.240 nan 0.000 0.464 21 A N 0.824 123.652 122.820 0.013 0.000 2.549 21 A HA 0.611 3.893 4.320 -1.729 0.000 0.291 21 A C -3.224 174.357 177.584 -0.004 0.000 1.034 21 A CA -1.515 50.526 52.037 0.007 0.000 0.655 21 A CB 0.025 19.028 19.000 0.006 0.000 1.299 21 A HN 0.004 nan 8.150 nan 0.000 0.427 22 P HA 0.225 nan 4.420 nan 0.000 0.247 22 P C 1.068 178.353 177.300 -0.024 0.000 1.141 22 P CA 2.699 65.791 63.100 -0.014 0.000 0.858 22 P CB -0.105 31.586 31.700 -0.014 0.000 0.804 23 G N 2.887 111.665 108.800 -0.037 0.000 2.176 23 G HA2 -0.214 2.709 3.960 -1.729 0.000 0.232 23 G HA3 -0.214 2.709 3.960 -1.729 0.000 0.232 23 G C 0.273 175.154 174.900 -0.030 0.000 0.986 23 G CA -0.516 44.562 45.100 -0.036 0.000 0.643 23 G HN 0.524 nan 8.290 nan 0.000 0.522 24 N N 0.739 119.424 118.700 -0.026 0.000 2.936 24 N HA 0.475 4.178 4.740 -1.729 0.000 0.243 24 N C -0.639 174.859 175.510 -0.021 0.000 1.149 24 N CA 0.127 53.165 53.050 -0.020 0.000 0.914 24 N CB 0.715 39.195 38.487 -0.011 0.000 1.179 24 N HN 0.280 nan 8.380 nan 0.000 0.502 25 c N 0.475 119.058 118.600 -0.029 0.000 2.493 25 c HA 0.445 3.978 4.570 -1.729 0.000 0.326 25 c C 0.416 174.482 174.090 -0.041 0.000 1.200 25 c CA -0.824 55.488 56.329 -0.029 0.000 1.739 25 c CB 2.219 44.709 42.510 -0.032 0.000 2.300 25 c HN 0.490 nan 8.230 nan 0.000 0.500 26 Q N 1.048 120.812 119.800 -0.061 0.000 2.257 26 Q HA 0.461 3.763 4.340 -1.729 0.000 0.262 26 Q C -0.667 175.248 176.000 -0.142 0.000 0.997 26 Q CA -0.041 55.708 55.803 -0.090 0.000 0.873 26 Q CB 1.644 30.326 28.738 -0.094 0.000 1.312 26 Q HN 0.788 nan 8.270 nan 0.000 0.450 27 T N 1.594 116.067 114.554 -0.135 0.000 2.909 27 T HA 0.409 3.722 4.350 -1.729 0.000 0.289 27 T C -0.688 173.848 174.700 -0.274 0.000 1.005 27 T CA -0.455 61.545 62.100 -0.166 0.000 1.084 27 T CB 1.013 69.826 68.868 -0.093 0.000 0.975 27 T HN 0.387 nan 8.240 nan 0.000 0.509 28 V N 3.481 123.141 119.914 -0.423 0.000 2.407 28 V HA 0.350 3.433 4.120 -1.729 0.000 0.291 28 V C -0.009 175.932 176.094 -0.255 0.000 1.018 28 V CA -1.044 60.943 62.300 -0.522 0.000 0.842 28 V CB 1.289 32.350 31.823 -1.270 0.000 0.996 28 V HN 0.831 nan 8.190 nan 0.000 0.426 29 N N 3.201 121.837 118.700 -0.106 0.000 2.439 29 N HA 0.619 4.322 4.740 -1.729 0.000 0.243 29 N C 0.151 175.695 175.510 0.058 0.000 1.088 29 N CA 0.025 53.071 53.050 -0.007 0.000 0.940 29 N CB 1.087 39.571 38.487 -0.005 0.000 1.180 29 N HN 0.917 nan 8.380 nan 0.000 0.505 30 A N 2.689 125.590 122.820 0.135 0.000 3.458 30 A HA 0.704 3.987 4.320 -1.729 0.000 0.205 30 A C -0.894 176.772 177.584 0.136 0.000 1.060 30 A CA -0.392 51.751 52.037 0.176 0.000 0.829 30 A CB 1.061 20.263 19.000 0.337 0.000 1.419 30 A HN 0.598 nan 8.150 nan 0.000 0.644 31 E N -1.482 118.792 120.200 0.124 0.000 2.409 31 E HA 0.531 3.843 4.350 -1.729 0.000 0.280 31 E C -1.393 175.218 176.600 0.019 0.000 1.079 31 E CA -0.752 55.695 56.400 0.078 0.000 0.840 31 E CB 1.280 31.046 29.700 0.110 0.000 1.309 31 E HN 1.326 nan 8.360 nan 0.000 0.447 32 V N -1.694 118.214 119.914 -0.010 0.000 3.126 32 V HA 0.923 4.005 4.120 -1.729 0.000 0.314 32 V C -0.893 175.125 176.094 -0.126 0.000 1.138 32 V CA -0.740 61.548 62.300 -0.020 0.000 1.034 32 V CB 1.677 33.552 31.823 0.087 0.000 1.075 32 V HN 0.643 nan 8.190 nan 0.000 0.442 33 V N 2.317 122.141 119.914 -0.149 0.000 2.932 33 V HA 0.595 3.678 4.120 -1.729 0.000 0.307 33 V C -0.876 174.890 176.094 -0.548 0.000 1.147 33 V CA -0.620 61.533 62.300 -0.245 0.000 0.951 33 V CB 1.965 33.657 31.823 -0.217 0.000 1.031 33 V HN 1.109 nan 8.190 nan 0.000 0.426 34 I N 3.531 123.688 120.570 -0.688 0.000 2.472 34 I HA 0.358 3.490 4.170 -1.729 0.000 0.290 34 I C 0.469 176.378 176.117 -0.348 0.000 1.016 34 I CA -0.175 60.501 61.300 -1.041 0.000 1.348 34 I CB 1.183 38.579 38.000 -1.006 0.000 1.417 34 I HN 0.951 nan 8.210 nan 0.000 0.521 35 D N 5.077 125.306 120.400 -0.285 0.000 2.730 35 D HA -0.087 3.516 4.640 -1.729 0.000 0.225 35 D C 1.213 177.698 176.300 0.307 0.000 1.107 35 D CA 1.041 55.180 54.000 0.232 0.000 0.837 35 D CB 1.113 42.118 40.800 0.342 0.000 1.171 35 D HN 0.644 nan 8.370 nan 0.000 0.498 36 A N 4.040 127.041 122.820 0.301 0.000 1.958 36 A HA -0.322 2.960 4.320 -1.729 0.000 0.221 36 A C 2.005 179.701 177.584 0.187 0.000 1.178 36 A CA 1.904 54.076 52.037 0.225 0.000 0.642 36 A CB -0.622 18.488 19.000 0.184 0.000 0.816 36 A HN 0.766 nan 8.150 nan 0.000 0.453 37 N N -1.231 117.585 118.700 0.192 0.000 2.348 37 N HA -0.133 3.569 4.740 -1.729 0.000 0.185 37 N C 1.127 176.620 175.510 -0.028 0.000 1.019 37 N CA 0.911 53.961 53.050 0.001 0.000 0.880 37 N CB -0.208 38.189 38.487 -0.150 0.000 0.965 37 N HN 0.730 nan 8.380 nan 0.000 0.437 38 W N 1.198 122.507 121.300 0.016 0.000 3.292 38 W HA 0.132 3.753 4.660 -1.731 0.000 0.263 38 W C -0.021 176.578 176.519 0.132 0.000 1.318 38 W CA -0.246 57.145 57.345 0.076 0.000 1.663 38 W CB 0.079 29.522 29.460 -0.028 0.000 1.114 38 W HN -0.023 nan 8.180 nan 0.000 0.706 39 R N -0.254 120.392 120.500 0.244 0.000 2.598 39 R HA 0.139 3.442 4.340 -1.729 0.000 0.279 39 R C -0.481 175.978 176.300 0.265 0.000 0.984 39 R CA -0.933 55.317 56.100 0.251 0.000 0.999 39 R CB 1.029 31.434 30.300 0.175 0.000 1.114 39 R HN -0.222 nan 8.270 nan 0.000 0.493 40 W N 4.071 125.440 121.300 0.116 0.000 2.251 40 W HA 0.184 3.806 4.660 -1.730 0.000 0.327 40 W C -1.311 175.240 176.519 0.053 0.000 1.361 40 W CA -0.352 57.056 57.345 0.105 0.000 1.234 40 W CB 0.149 29.698 29.460 0.147 0.000 1.212 40 W HN 0.383 nan 8.180 nan 0.000 0.557 41 L N 7.883 129.215 121.223 0.182 0.000 2.313 41 L HA 0.383 3.685 4.340 -1.729 0.000 0.283 41 L C -0.224 176.618 176.870 -0.046 0.000 1.013 41 L CA -0.730 54.063 54.840 -0.079 0.000 0.816 41 L CB 1.074 43.140 42.059 0.012 0.000 1.236 41 L HN 0.728 nan 8.230 nan 0.000 0.419 42 H N 0.217 119.129 119.070 -0.264 0.000 2.966 42 H HA 0.641 4.160 4.556 -1.729 0.000 0.330 42 H C -1.602 173.658 175.328 -0.114 0.000 1.292 42 H CA -1.180 54.785 56.048 -0.137 0.000 1.127 42 H CB 0.979 30.616 29.762 -0.208 0.000 1.863 42 H HN 0.414 nan 8.280 nan 0.000 0.543 43 D N -0.754 119.750 120.400 0.174 0.000 2.440 43 D HA 0.092 3.694 4.640 -1.729 0.000 0.258 43 D C 0.623 177.016 176.300 0.156 0.000 1.092 43 D CA -0.378 53.681 54.000 0.099 0.000 1.016 43 D CB 0.669 41.521 40.800 0.087 0.000 1.141 43 D HN 0.746 nan 8.370 nan 0.000 0.552 44 D N -0.516 119.924 120.400 0.066 0.000 2.263 44 D HA -0.199 3.404 4.640 -1.729 0.000 0.208 44 D C -0.166 176.167 176.300 0.055 0.000 0.971 44 D CA 0.804 54.836 54.000 0.053 0.000 0.867 44 D CB -0.675 40.136 40.800 0.019 0.000 0.929 44 D HN 0.486 nan 8.370 nan 0.000 0.492 45 N N -0.320 118.416 118.700 0.059 0.000 2.761 45 N HA 0.230 3.932 4.740 -1.729 0.000 0.317 45 N C -0.652 174.891 175.510 0.054 0.000 1.546 45 N CA -0.469 52.608 53.050 0.046 0.000 1.015 45 N CB -0.090 38.419 38.487 0.037 0.000 1.343 45 N HN -0.105 nan 8.380 nan 0.000 0.504 46 M N 0.790 120.423 119.600 0.055 0.000 3.374 46 M HA -0.282 3.160 4.480 -1.729 0.000 0.163 46 M C -0.301 176.057 176.300 0.098 0.000 1.401 46 M CA 1.048 56.380 55.300 0.054 0.000 0.887 46 M CB -1.477 31.139 32.600 0.027 0.000 1.285 46 M HN 0.371 nan 8.290 nan 0.000 0.595 47 Q N 0.985 120.870 119.800 0.142 0.000 2.350 47 Q HA 0.545 3.847 4.340 -1.729 0.000 0.255 47 Q C -0.792 175.327 176.000 0.199 0.000 0.951 47 Q CA -0.650 55.237 55.803 0.140 0.000 0.751 47 Q CB 1.087 29.884 28.738 0.097 0.000 1.296 47 Q HN 0.511 nan 8.270 nan 0.000 0.453 48 N N 2.368 121.213 118.700 0.241 0.000 2.293 48 N HA -0.073 3.630 4.740 -1.729 0.000 0.253 48 N C 0.118 175.757 175.510 0.215 0.000 1.248 48 N CA 0.282 53.518 53.050 0.309 0.000 0.845 48 N CB 0.582 39.224 38.487 0.257 0.000 1.073 48 N HN 0.725 nan 8.380 nan 0.000 0.464 49 c N 1.506 120.239 118.600 0.221 0.000 2.485 49 c HA 0.099 3.631 4.570 -1.729 0.000 0.277 49 c C 0.417 174.628 174.090 0.202 0.000 1.376 49 c CA 0.153 56.612 56.329 0.216 0.000 1.759 49 c CB -1.130 41.518 42.510 0.229 0.000 1.970 49 c HN 0.716 nan 8.230 nan 0.000 0.509 50 Y N 0.342 120.596 120.300 -0.076 0.000 2.504 50 Y HA 0.558 4.070 4.550 -1.729 0.000 0.344 50 Y C -1.577 174.250 175.900 -0.121 0.000 1.023 50 Y CA -0.674 57.254 58.100 -0.286 0.000 1.020 50 Y CB 1.050 39.064 38.460 -0.744 0.000 1.282 50 Y HN 0.054 nan 8.280 nan 0.000 0.454 51 D N 2.831 123.007 120.400 -0.374 0.000 2.859 51 D HA 0.511 4.113 4.640 -1.729 0.000 0.223 51 D C 0.340 176.441 176.300 -0.331 0.000 1.218 51 D CA 0.794 54.672 54.000 -0.203 0.000 0.850 51 D CB 2.023 42.769 40.800 -0.089 0.000 1.656 51 D HN 0.955 nan 8.370 nan 0.000 0.484 52 G N 2.937 111.641 108.800 -0.159 0.000 2.601 52 G HA2 -0.314 2.609 3.960 -1.729 0.000 0.306 52 G HA3 -0.314 2.609 3.960 -1.729 0.000 0.306 52 G C 0.399 175.195 174.900 -0.173 0.000 1.172 52 G CA 0.807 45.827 45.100 -0.134 0.000 0.966 52 G HN 0.813 nan 8.290 nan 0.000 0.542 53 N N 0.502 119.050 118.700 -0.254 0.000 2.301 53 N HA 0.326 4.029 4.740 -1.729 0.000 0.247 53 N C -0.004 175.421 175.510 -0.141 0.000 1.347 53 N CA 0.454 53.447 53.050 -0.095 0.000 0.844 53 N CB 0.800 39.343 38.487 0.093 0.000 1.332 53 N HN 0.744 nan 8.380 nan 0.000 0.494 54 Q N -0.140 119.292 119.800 -0.614 0.000 2.413 54 Q HA 0.504 3.807 4.340 -1.729 0.000 0.276 54 Q C -1.227 174.383 176.000 -0.650 0.000 1.099 54 Q CA -0.736 54.882 55.803 -0.310 0.000 0.814 54 Q CB 1.863 30.562 28.738 -0.066 0.000 1.379 54 Q HN 0.190 nan 8.270 nan 0.000 0.436 55 W N 0.569 121.680 121.300 -0.315 0.000 1.992 55 W HA 0.334 3.956 4.660 -1.730 0.000 0.360 55 W C 0.877 177.323 176.519 -0.121 0.000 1.369 55 W CA -0.005 57.235 57.345 -0.175 0.000 1.403 55 W CB 0.321 29.698 29.460 -0.138 0.000 1.215 55 W HN 0.634 nan 8.180 nan 0.000 0.643 56 T N -2.433 112.241 114.554 0.201 0.000 2.768 56 T HA 0.310 3.622 4.350 -1.729 0.000 0.268 56 T C 0.408 175.175 174.700 0.112 0.000 0.969 56 T CA -0.668 61.498 62.100 0.109 0.000 1.008 56 T CB 0.710 69.629 68.868 0.086 0.000 1.371 56 T HN 0.279 nan 8.240 nan 0.000 0.587 57 N N -0.122 118.625 118.700 0.077 0.000 2.494 57 N HA 0.245 3.947 4.740 -1.729 0.000 0.182 57 N C 1.788 177.338 175.510 0.066 0.000 1.076 57 N CA 0.753 53.839 53.050 0.060 0.000 0.908 57 N CB -0.293 38.221 38.487 0.044 0.000 0.967 57 N HN 0.716 nan 8.380 nan 0.000 0.449 58 A N -0.893 121.980 122.820 0.090 0.000 2.067 58 A HA 0.011 3.294 4.320 -1.729 0.000 0.219 58 A C 1.455 179.090 177.584 0.086 0.000 1.158 58 A CA 0.570 52.661 52.037 0.091 0.000 0.661 58 A CB -0.397 18.673 19.000 0.116 0.000 0.801 58 A HN 0.354 nan 8.150 nan 0.000 0.452 59 c N -3.147 115.511 118.600 0.096 0.000 2.560 59 c HA 0.749 4.282 4.570 -1.729 0.000 0.359 59 c C 2.043 176.138 174.090 0.009 0.000 2.885 59 c CA 0.756 57.123 56.329 0.064 0.000 1.861 59 c CB 1.579 44.147 42.510 0.097 0.000 2.588 59 c HN 0.844 nan 8.230 nan 0.000 0.397 60 S N -1.322 114.348 115.700 -0.050 0.000 5.633 60 S HA 0.026 3.458 4.470 -1.729 0.000 0.090 60 S C -0.059 174.463 174.600 -0.131 0.000 1.112 60 S CA 0.962 59.119 58.200 -0.072 0.000 1.357 60 S CB -1.020 62.158 63.200 -0.036 0.000 1.491 60 S HN 1.325 nan 8.310 nan 0.000 0.443 61 T N -0.915 113.561 114.554 -0.130 0.000 2.838 61 T HA 0.849 4.162 4.350 -1.729 0.000 0.292 61 T C 1.342 175.934 174.700 -0.180 0.000 1.113 61 T CA 0.196 62.203 62.100 -0.156 0.000 1.008 61 T CB 1.024 69.840 68.868 -0.086 0.000 1.259 61 T HN 1.164 nan 8.240 nan 0.000 0.520 62 A N 0.458 123.181 122.820 -0.161 0.000 1.986 62 A HA 0.025 3.308 4.320 -1.729 0.000 0.220 62 A C 2.215 179.774 177.584 -0.041 0.000 1.171 62 A CA 2.466 54.428 52.037 -0.125 0.000 0.640 62 A CB -1.554 17.458 19.000 0.020 0.000 0.811 62 A HN 0.883 nan 8.150 nan 0.000 0.451 63 T N -0.309 114.232 114.554 -0.021 0.000 3.039 63 T HA -0.013 3.300 4.350 -1.729 0.000 0.250 63 T C 1.364 176.074 174.700 0.017 0.000 1.052 63 T CA 1.085 63.190 62.100 0.008 0.000 1.125 63 T CB -0.189 68.679 68.868 0.000 0.000 0.908 63 T HN 0.828 nan 8.240 nan 0.000 0.473 64 D N -0.023 120.377 120.400 -0.001 0.000 2.346 64 D HA 0.053 3.656 4.640 -1.729 0.000 0.206 64 D C 1.917 178.240 176.300 0.037 0.000 1.001 64 D CA 0.111 54.118 54.000 0.011 0.000 0.871 64 D CB -1.053 39.746 40.800 -0.001 0.000 0.943 64 D HN 0.306 nan 8.370 nan 0.000 0.518 65 c N 1.070 119.697 118.600 0.045 0.000 2.432 65 c HA 0.077 3.610 4.570 -1.729 0.000 0.277 65 c C 3.023 177.276 174.090 0.270 0.000 1.249 65 c CA 1.147 57.565 56.329 0.147 0.000 1.725 65 c CB -1.136 41.390 42.510 0.026 0.000 2.028 65 c HN 0.516 nan 8.230 nan 0.000 0.477 66 A N -0.038 122.952 122.820 0.282 0.000 2.076 66 A HA -0.157 3.126 4.320 -1.729 0.000 0.220 66 A C 1.928 179.519 177.584 0.011 0.000 1.160 66 A CA 1.788 53.925 52.037 0.166 0.000 0.653 66 A CB -0.260 18.824 19.000 0.140 0.000 0.801 66 A HN 0.640 nan 8.150 nan 0.000 0.455 67 E N -1.489 118.724 120.200 0.022 0.000 2.465 67 E HA 0.069 3.382 4.350 -1.729 0.000 0.209 67 E C 1.534 178.121 176.600 -0.022 0.000 0.951 67 E CA 0.442 56.830 56.400 -0.020 0.000 0.997 67 E CB 0.122 29.814 29.700 -0.013 0.000 1.025 67 E HN 0.682 nan 8.360 nan 0.000 0.500 68 K N 0.002 120.406 120.400 0.007 0.000 2.305 68 K HA 0.072 3.355 4.320 -1.729 0.000 0.199 68 K C 0.220 176.813 176.600 -0.012 0.000 1.047 68 K CA 0.392 56.683 56.287 0.007 0.000 0.976 68 K CB 0.370 32.892 32.500 0.035 0.000 0.765 68 K HN -0.035 nan 8.250 nan 0.000 0.474 69 c N 0.808 119.397 118.600 -0.020 0.000 2.397 69 c HA 0.596 4.128 4.570 -1.729 0.000 0.343 69 c C -0.402 173.530 174.090 -0.263 0.000 1.188 69 c CA -0.956 55.323 56.329 -0.084 0.000 1.992 69 c CB 1.041 43.598 42.510 0.079 0.000 2.358 69 c HN 0.346 nan 8.230 nan 0.000 0.518 70 M N 3.197 122.521 119.600 -0.460 0.000 2.457 70 M HA 0.587 4.029 4.480 -1.729 0.000 0.300 70 M C -0.700 175.181 176.300 -0.698 0.000 1.141 70 M CA -0.298 54.652 55.300 -0.584 0.000 0.901 70 M CB 1.377 33.617 32.600 -0.600 0.000 1.687 70 M HN 0.483 nan 8.290 nan 0.000 0.449 71 I N -0.400 119.796 120.570 -0.624 0.000 2.440 71 I HA 0.526 3.659 4.170 -1.729 0.000 0.294 71 I C -0.017 175.795 176.117 -0.508 0.000 0.995 71 I CA -0.753 60.221 61.300 -0.543 0.000 1.306 71 I CB 0.766 38.445 38.000 -0.535 0.000 1.407 71 I HN 0.551 nan 8.210 nan 0.000 0.501 72 E N 2.973 123.052 120.200 -0.201 0.000 2.259 72 E HA 0.498 3.810 4.350 -1.729 0.000 0.257 72 E C 0.038 176.818 176.600 0.301 0.000 0.998 72 E CA -0.574 55.844 56.400 0.029 0.000 0.866 72 E CB 1.866 31.623 29.700 0.095 0.000 1.220 72 E HN 0.818 nan 8.360 nan 0.000 0.415 73 G N -0.431 108.548 108.800 0.298 0.000 2.606 73 G HA2 0.339 3.261 3.960 -1.729 0.000 0.252 73 G HA3 0.339 3.261 3.960 -1.729 0.000 0.252 73 G C 0.137 175.128 174.900 0.152 0.000 1.206 73 G CA 0.272 45.506 45.100 0.223 0.000 0.861 73 G HN 0.386 nan 8.290 nan 0.000 0.561 74 A N 0.307 123.123 122.820 -0.008 0.000 2.507 74 A HA 0.558 3.841 4.320 -1.729 0.000 0.270 74 A C 1.815 179.317 177.584 -0.138 0.000 1.318 74 A CA 1.004 52.935 52.037 -0.177 0.000 0.924 74 A CB -0.981 17.529 19.000 -0.817 0.000 1.061 74 A HN 2.249 nan 8.150 nan 0.000 0.516 75 G N 0.780 109.584 108.800 0.007 0.000 2.702 75 G HA2 -0.386 2.536 3.960 -1.729 0.000 0.342 75 G HA3 -0.386 2.536 3.960 -1.729 0.000 0.342 75 G C 0.242 175.167 174.900 0.042 0.000 1.258 75 G CA 0.773 45.901 45.100 0.047 0.000 0.990 75 G HN 0.720 nan 8.290 nan 0.000 0.548 76 D N 0.057 120.489 120.400 0.054 0.000 2.317 76 D HA 0.469 4.071 4.640 -1.729 0.000 0.234 76 D C 1.010 177.377 176.300 0.113 0.000 1.112 76 D CA -0.520 53.544 54.000 0.106 0.000 0.840 76 D CB 0.633 41.483 40.800 0.084 0.000 1.078 76 D HN 0.335 nan 8.370 nan 0.000 0.486 77 Y N 2.570 123.009 120.300 0.231 0.000 2.242 77 Y HA -0.087 3.426 4.550 -1.729 0.000 0.291 77 Y C 2.127 178.167 175.900 0.234 0.000 1.137 77 Y CA 0.762 59.054 58.100 0.320 0.000 1.181 77 Y CB 0.133 38.747 38.460 0.257 0.000 0.989 77 Y HN 0.452 nan 8.280 nan 0.000 0.527 78 L N -0.954 120.434 121.223 0.275 0.000 1.988 78 L HA -0.147 3.155 4.340 -1.729 0.000 0.207 78 L C 2.587 179.496 176.870 0.066 0.000 1.071 78 L CA 1.566 56.495 54.840 0.150 0.000 0.744 78 L CB -1.055 41.067 42.059 0.105 0.000 0.893 78 L HN 0.354 nan 8.230 nan 0.000 0.433 79 G N -1.232 107.587 108.800 0.031 0.000 2.599 79 G HA2 -0.330 2.593 3.960 -1.729 0.000 0.219 79 G HA3 -0.330 2.593 3.960 -1.729 0.000 0.219 79 G C 1.429 176.194 174.900 -0.224 0.000 1.193 79 G CA 1.682 46.753 45.100 -0.048 0.000 0.778 79 G HN 0.390 nan 8.290 nan 0.000 0.589 80 T N -1.197 113.120 114.554 -0.394 0.000 3.039 80 T HA 0.155 3.467 4.350 -1.729 0.000 0.250 80 T C 1.730 175.853 174.700 -0.962 0.000 1.052 80 T CA 0.646 62.141 62.100 -1.008 0.000 1.125 80 T CB 0.053 68.237 68.868 -1.140 0.000 0.908 80 T HN 0.365 nan 8.240 nan 0.000 0.473 81 Y N 0.156 120.408 120.300 -0.081 0.000 2.445 81 Y HA 0.447 3.960 4.550 -1.729 0.000 0.247 81 Y C 1.790 177.751 175.900 0.102 0.000 1.129 81 Y CA -0.335 57.802 58.100 0.062 0.000 1.251 81 Y CB 0.378 38.926 38.460 0.147 0.000 1.176 81 Y HN 0.242 nan 8.280 nan 0.000 0.522 82 G N 0.738 109.642 108.800 0.174 0.000 2.147 82 G HA2 -0.155 2.767 3.960 -1.729 0.000 0.244 82 G HA3 -0.155 2.767 3.960 -1.729 0.000 0.244 82 G C 0.056 175.025 174.900 0.115 0.000 1.005 82 G CA 0.067 45.247 45.100 0.134 0.000 0.713 82 G HN 0.615 nan 8.290 nan 0.000 0.515 83 A N 0.144 123.066 122.820 0.171 0.000 2.249 83 A HA 0.900 4.182 4.320 -1.729 0.000 0.314 83 A C 0.376 177.990 177.584 0.050 0.000 1.290 83 A CA 0.592 52.663 52.037 0.056 0.000 0.893 83 A CB 1.047 20.201 19.000 0.257 0.000 1.165 83 A HN 1.998 nan 8.150 nan 0.000 0.530 84 S N 1.262 116.933 115.700 -0.050 0.000 2.537 84 S HA 0.781 4.213 4.470 -1.729 0.000 0.270 84 S C -0.644 173.926 174.600 -0.050 0.000 1.142 84 S CA -0.516 57.677 58.200 -0.012 0.000 0.870 84 S CB 1.799 65.013 63.200 0.023 0.000 1.112 84 S HN 0.857 nan 8.310 nan 0.000 0.466 85 T N 0.807 115.346 114.554 -0.024 0.000 2.893 85 T HA 0.768 4.081 4.350 -1.729 0.000 0.291 85 T C -1.304 173.399 174.700 0.005 0.000 1.028 85 T CA -0.395 61.692 62.100 -0.022 0.000 0.995 85 T CB 1.623 70.473 68.868 -0.030 0.000 1.051 85 T HN 0.993 nan 8.240 nan 0.000 0.470 86 S N 2.775 118.482 115.700 0.012 0.000 2.673 86 S HA 0.589 4.022 4.470 -1.729 0.000 0.256 86 S C 0.515 175.131 174.600 0.028 0.000 1.141 86 S CA 0.573 58.785 58.200 0.020 0.000 1.109 86 S CB -0.177 63.032 63.200 0.015 0.000 1.101 86 S HN 1.552 nan 8.310 nan 0.000 0.471 87 G N 4.981 113.801 108.800 0.034 0.000 2.561 87 G HA2 -0.318 2.604 3.960 -1.729 0.000 0.289 87 G HA3 -0.318 2.604 3.960 -1.729 0.000 0.289 87 G C 0.230 175.165 174.900 0.059 0.000 1.169 87 G CA 0.689 45.815 45.100 0.042 0.000 0.980 87 G HN 1.022 nan 8.290 nan 0.000 0.550 88 D N 1.693 122.134 120.400 0.068 0.000 2.325 88 D HA 0.545 4.148 4.640 -1.729 0.000 0.234 88 D C 0.664 177.017 176.300 0.089 0.000 1.122 88 D CA 1.163 55.221 54.000 0.097 0.000 0.850 88 D CB -0.262 40.602 40.800 0.108 0.000 0.921 88 D HN 1.340 nan 8.370 nan 0.000 0.513 89 A N 0.367 123.223 122.820 0.060 0.000 2.356 89 A HA 0.596 3.878 4.320 -1.729 0.000 0.310 89 A C -1.412 176.186 177.584 0.023 0.000 1.075 89 A CA -0.930 51.136 52.037 0.048 0.000 0.746 89 A CB 1.353 20.368 19.000 0.026 0.000 1.221 89 A HN 0.226 nan 8.150 nan 0.000 0.443 90 L N 2.516 123.757 121.223 0.031 0.000 2.316 90 L HA 0.637 3.940 4.340 -1.729 0.000 0.280 90 L C -0.260 176.595 176.870 -0.025 0.000 1.006 90 L CA 0.341 55.168 54.840 -0.022 0.000 0.836 90 L CB 1.587 43.618 42.059 -0.047 0.000 1.221 90 L HN 0.596 nan 8.230 nan 0.000 0.418 91 T N 6.255 120.760 114.554 -0.082 0.000 2.837 91 T HA 0.573 3.885 4.350 -1.729 0.000 0.285 91 T C -0.289 174.342 174.700 -0.116 0.000 0.984 91 T CA -0.232 61.808 62.100 -0.099 0.000 1.049 91 T CB 0.797 69.624 68.868 -0.069 0.000 0.947 91 T HN 0.444 nan 8.240 nan 0.000 0.472 92 L N 3.511 124.673 121.223 -0.101 0.000 2.343 92 L HA 0.477 3.780 4.340 -1.729 0.000 0.278 92 L C 0.031 176.921 176.870 0.034 0.000 0.996 92 L CA -0.916 53.899 54.840 -0.042 0.000 0.831 92 L CB 1.661 43.741 42.059 0.035 0.000 1.232 92 L HN 0.442 nan 8.230 nan 0.000 0.413 93 K N 1.713 122.163 120.400 0.084 0.000 2.143 93 K HA 0.209 3.492 4.320 -1.729 0.000 0.272 93 K C 0.382 177.130 176.600 0.245 0.000 1.001 93 K CA -0.544 55.828 56.287 0.142 0.000 0.915 93 K CB 1.675 34.246 32.500 0.118 0.000 1.047 93 K HN 0.316 nan 8.250 nan 0.000 0.458 94 F N 2.471 122.484 119.950 0.105 0.000 2.039 94 F HA -0.017 3.473 4.527 -1.728 0.000 0.294 94 F C 0.420 176.329 175.800 0.181 0.000 1.130 94 F CA 0.849 58.936 58.000 0.146 0.000 1.189 94 F CB 0.372 39.443 39.000 0.119 0.000 0.983 94 F HN 0.128 nan 8.300 nan 0.000 0.471 95 V N 1.632 121.552 119.914 0.011 0.000 2.417 95 V HA 0.372 3.455 4.120 -1.729 0.000 0.291 95 V C -0.395 175.736 176.094 0.062 0.000 1.024 95 V CA -0.245 61.998 62.300 -0.095 0.000 0.861 95 V CB 1.100 32.815 31.823 -0.180 0.000 0.985 95 V HN 0.406 nan 8.190 nan 0.000 0.436 96 T N 2.050 116.677 114.554 0.122 0.000 2.824 96 T HA 0.709 4.022 4.350 -1.729 0.000 0.282 96 T C -0.759 174.095 174.700 0.257 0.000 0.993 96 T CA -0.965 61.249 62.100 0.191 0.000 0.967 96 T CB 1.759 70.728 68.868 0.169 0.000 0.960 96 T HN 0.488 nan 8.240 nan 0.000 0.441 97 K N 2.710 123.223 120.400 0.187 0.000 2.270 97 K HA 0.590 3.873 4.320 -1.729 0.000 0.255 97 K C -0.360 176.320 176.600 0.133 0.000 0.936 97 K CA -0.913 55.373 56.287 -0.003 0.000 0.809 97 K CB 1.014 33.486 32.500 -0.045 0.000 1.131 97 K HN 0.808 nan 8.250 nan 0.000 0.427 98 H N 0.249 119.306 119.070 -0.023 0.000 2.960 98 H HA 0.186 3.705 4.556 -1.729 0.000 0.338 98 H C 0.605 175.931 175.328 -0.004 0.000 1.261 98 H CA -0.916 55.121 56.048 -0.018 0.000 1.136 98 H CB 0.624 30.363 29.762 -0.038 0.000 1.875 98 H HN 0.525 nan 8.280 nan 0.000 0.550 99 E N 0.427 120.713 120.200 0.142 0.000 2.332 99 E HA -0.298 3.015 4.350 -1.729 0.000 0.243 99 E C 0.048 176.704 176.600 0.093 0.000 1.088 99 E CA 2.754 59.241 56.400 0.145 0.000 1.048 99 E CB -0.323 29.527 29.700 0.249 0.000 0.911 99 E HN 0.644 nan 8.360 nan 0.000 0.487 100 Y N -2.160 118.104 120.300 -0.059 0.000 2.672 100 Y HA 0.494 4.006 4.550 -1.729 0.000 0.252 100 Y C 0.473 176.291 175.900 -0.136 0.000 1.132 100 Y CA 0.243 58.291 58.100 -0.087 0.000 1.228 100 Y CB 1.573 39.987 38.460 -0.076 0.000 1.310 100 Y HN 0.167 nan 8.280 nan 0.000 0.549 101 G N -0.961 107.764 108.800 -0.124 0.000 2.690 101 G HA2 0.560 3.482 3.960 -1.729 0.000 0.291 101 G HA3 0.560 3.482 3.960 -1.729 0.000 0.291 101 G C -1.254 173.064 174.900 -0.970 0.000 1.403 101 G CA -0.713 44.188 45.100 -0.331 0.000 0.864 101 G HN -0.204 nan 8.290 nan 0.000 0.480 102 T N 0.613 114.805 114.554 -0.602 0.000 2.949 102 T HA 0.366 3.679 4.350 -1.729 0.000 0.300 102 T C -0.712 173.985 174.700 -0.005 0.000 0.988 102 T CA -0.523 61.341 62.100 -0.393 0.000 0.993 102 T CB 1.142 69.899 68.868 -0.184 0.000 0.984 102 T HN 0.552 nan 8.240 nan 0.000 0.442 103 N N 2.504 121.373 118.700 0.282 0.000 2.419 103 N HA 0.525 4.228 4.740 -1.729 0.000 0.277 103 N C -0.961 174.695 175.510 0.243 0.000 1.006 103 N CA -0.354 52.906 53.050 0.351 0.000 0.923 103 N CB 0.911 39.633 38.487 0.392 0.000 1.140 103 N HN 0.259 nan 8.380 nan 0.000 0.488 104 V N 3.145 123.212 119.914 0.254 0.000 2.384 104 V HA 0.759 3.841 4.120 -1.729 0.000 0.287 104 V C 0.869 177.194 176.094 0.384 0.000 1.020 104 V CA 0.005 62.384 62.300 0.132 0.000 0.850 104 V CB 0.371 32.222 31.823 0.048 0.000 0.987 104 V HN 1.001 nan 8.190 nan 0.000 0.436 105 G N 4.829 113.846 108.800 0.362 0.000 2.877 105 G HA2 0.088 3.011 3.960 -1.729 0.000 0.279 105 G HA3 0.088 3.011 3.960 -1.729 0.000 0.279 105 G C -0.232 174.945 174.900 0.461 0.000 1.431 105 G CA -0.063 45.360 45.100 0.539 0.000 0.883 105 G HN 1.940 nan 8.290 nan 0.000 0.547 106 S N -1.428 114.405 115.700 0.221 0.000 2.567 106 S HA 0.773 4.206 4.470 -1.729 0.000 0.270 106 S C -0.890 173.491 174.600 -0.365 0.000 1.152 106 S CA -0.112 57.806 58.200 -0.470 0.000 0.835 106 S CB 2.329 65.474 63.200 -0.090 0.000 1.115 106 S HN 1.557 nan 8.310 nan 0.000 0.459 107 R N 0.765 120.788 120.500 -0.796 0.000 2.514 107 R HA 0.685 3.987 4.340 -1.729 0.000 0.296 107 R C -2.173 173.699 176.300 -0.713 0.000 1.012 107 R CA -0.539 55.284 56.100 -0.461 0.000 0.897 107 R CB 0.920 31.007 30.300 -0.355 0.000 1.184 107 R HN 0.622 nan 8.270 nan 0.000 0.440 108 F N 3.401 122.894 119.950 -0.761 0.000 2.508 108 F HA 0.497 3.986 4.527 -1.730 0.000 0.325 108 F C -0.870 174.416 175.800 -0.857 0.000 1.090 108 F CA -0.516 57.049 58.000 -0.725 0.000 0.945 108 F CB 1.590 40.338 39.000 -0.419 0.000 1.156 108 F HN 0.369 nan 8.300 nan 0.000 0.463 109 Y N 2.904 123.134 120.300 -0.117 0.000 2.393 109 Y HA 0.522 4.033 4.550 -1.731 0.000 0.341 109 Y C -0.495 175.355 175.900 -0.082 0.000 0.988 109 Y CA -1.391 56.601 58.100 -0.179 0.000 1.078 109 Y CB 1.406 39.669 38.460 -0.328 0.000 1.203 109 Y HN 0.361 nan 8.280 nan 0.000 0.453 110 L N 4.536 125.783 121.223 0.039 0.000 2.360 110 L HA 0.406 3.709 4.340 -1.729 0.000 0.276 110 L C -0.668 176.256 176.870 0.091 0.000 1.121 110 L CA 0.005 54.852 54.840 0.012 0.000 0.845 110 L CB -0.038 41.969 42.059 -0.088 0.000 1.143 110 L HN 0.636 nan 8.230 nan 0.000 0.452 111 M N 3.975 123.620 119.600 0.075 0.000 2.654 111 M HA 0.344 3.787 4.480 -1.729 0.000 0.310 111 M C -0.434 175.912 176.300 0.077 0.000 1.211 111 M CA -0.666 54.676 55.300 0.071 0.000 0.947 111 M CB 1.645 34.219 32.600 -0.042 0.000 1.647 111 M HN 0.643 nan 8.290 nan 0.000 0.481 112 N N 0.942 119.668 118.700 0.044 0.000 2.682 112 N HA 0.473 4.175 4.740 -1.729 0.000 0.252 112 N C -0.675 174.847 175.510 0.021 0.000 1.081 112 N CA 0.481 53.564 53.050 0.055 0.000 0.844 112 N CB 0.732 39.237 38.487 0.031 0.000 1.167 112 N HN 0.922 nan 8.380 nan 0.000 0.523 113 G N 3.506 112.329 108.800 0.038 0.000 2.785 113 G HA2 -0.194 2.728 3.960 -1.729 0.000 0.685 113 G HA3 -0.194 2.728 3.960 -1.729 0.000 0.685 113 G C -1.872 173.043 174.900 0.025 0.000 1.480 113 G CA -0.614 44.503 45.100 0.028 0.000 0.915 113 G HN 0.413 nan 8.290 nan 0.000 0.576 114 P HA 0.013 nan 4.420 nan 0.000 0.226 114 P C 0.952 178.278 177.300 0.044 0.000 1.146 114 P CA 1.688 64.864 63.100 0.126 0.000 0.773 114 P CB 0.211 31.954 31.700 0.071 0.000 0.772 115 D N -1.693 118.686 120.400 -0.035 0.000 2.379 115 D HA 0.067 3.670 4.640 -1.729 0.000 0.218 115 D C 0.521 176.716 176.300 -0.175 0.000 1.006 115 D CA 0.751 54.701 54.000 -0.084 0.000 0.893 115 D CB 0.412 41.176 40.800 -0.061 0.000 1.019 115 D HN 0.036 nan 8.370 nan 0.000 0.503 116 K N -0.229 120.057 120.400 -0.190 0.000 2.443 116 K HA 0.292 3.574 4.320 -1.729 0.000 0.251 116 K C -1.093 175.362 176.600 -0.242 0.000 0.972 116 K CA -0.848 55.295 56.287 -0.241 0.000 0.833 116 K CB 1.695 34.121 32.500 -0.124 0.000 1.317 116 K HN -0.135 nan 8.250 nan 0.000 0.441 117 Y N 1.065 121.314 120.300 -0.086 0.000 2.307 117 Y HA 0.089 3.603 4.550 -1.727 0.000 0.324 117 Y C 0.779 176.613 175.900 -0.111 0.000 1.238 117 Y CA -0.429 57.617 58.100 -0.090 0.000 1.280 117 Y CB 0.705 39.105 38.460 -0.099 0.000 1.248 117 Y HN 0.466 nan 8.280 nan 0.000 0.508 118 Q N 2.593 122.423 119.800 0.051 0.000 2.296 118 Q HA 0.253 3.556 4.340 -1.729 0.000 0.262 118 Q C -1.240 174.564 176.000 -0.327 0.000 0.981 118 Q CA -0.068 55.632 55.803 -0.172 0.000 0.905 118 Q CB 0.378 28.953 28.738 -0.271 0.000 1.186 118 Q HN 0.437 nan 8.270 nan 0.000 0.399 119 M N 4.025 123.394 119.600 -0.386 0.000 2.367 119 M HA 0.467 3.910 4.480 -1.729 0.000 0.339 119 M C -0.948 174.969 176.300 -0.639 0.000 1.177 119 M CA -0.258 54.843 55.300 -0.332 0.000 1.068 119 M CB 0.694 33.197 32.600 -0.161 0.000 1.602 119 M HN 0.583 nan 8.290 nan 0.000 0.457 120 F N 0.901 120.675 119.950 -0.292 0.000 2.556 120 F HA 0.384 3.875 4.527 -1.727 0.000 0.314 120 F C 0.211 175.794 175.800 -0.363 0.000 1.106 120 F CA -0.960 56.759 58.000 -0.467 0.000 0.911 120 F CB 1.365 39.819 39.000 -0.911 0.000 1.190 120 F HN 0.437 nan 8.300 nan 0.000 0.448 121 N N 3.381 122.081 118.700 -0.001 0.000 2.521 121 N HA 0.211 3.914 4.740 -1.729 0.000 0.236 121 N C 0.593 176.191 175.510 0.148 0.000 1.067 121 N CA -0.171 52.912 53.050 0.055 0.000 0.939 121 N CB 1.296 39.849 38.487 0.110 0.000 1.201 121 N HN 0.539 nan 8.380 nan 0.000 0.511 122 L N 1.527 122.739 121.223 -0.019 0.000 2.179 122 L HA 0.183 3.485 4.340 -1.729 0.000 0.208 122 L C 0.981 177.982 176.870 0.218 0.000 1.096 122 L CA 0.765 55.605 54.840 -0.001 0.000 0.779 122 L CB -0.260 41.506 42.059 -0.488 0.000 0.922 122 L HN 0.517 nan 8.230 nan 0.000 0.443 123 M N -0.413 119.285 119.600 0.162 0.000 2.238 123 M HA 0.362 3.805 4.480 -1.729 0.000 0.350 123 M C 1.229 177.651 176.300 0.203 0.000 1.321 123 M CA 0.982 56.405 55.300 0.205 0.000 1.097 123 M CB 0.225 32.913 32.600 0.146 0.000 1.713 123 M HN 0.275 nan 8.290 nan 0.000 0.455 124 G N 2.917 111.843 108.800 0.210 0.000 2.184 124 G HA2 -0.307 2.616 3.960 -1.729 0.000 0.264 124 G HA3 -0.307 2.616 3.960 -1.729 0.000 0.264 124 G C -0.149 174.829 174.900 0.131 0.000 0.975 124 G CA 0.519 45.710 45.100 0.152 0.000 0.642 124 G HN 0.755 nan 8.290 nan 0.000 0.536 125 N N -0.271 118.538 118.700 0.181 0.000 2.577 125 N HA 0.633 4.335 4.740 -1.729 0.000 0.285 125 N C -0.715 174.809 175.510 0.023 0.000 1.309 125 N CA -0.545 52.513 53.050 0.014 0.000 0.798 125 N CB 1.347 39.784 38.487 -0.083 0.000 1.463 125 N HN 0.496 nan 8.380 nan 0.000 0.518 126 E N 0.461 120.481 120.200 -0.300 0.000 2.340 126 E HA 0.495 3.808 4.350 -1.729 0.000 0.273 126 E C -1.794 174.719 176.600 -0.145 0.000 0.891 126 E CA -0.832 55.486 56.400 -0.136 0.000 0.757 126 E CB 1.971 31.612 29.700 -0.099 0.000 1.231 126 E HN 0.332 nan 8.360 nan 0.000 0.439 127 L N 2.090 123.471 121.223 0.264 0.000 2.325 127 L HA 0.827 4.130 4.340 -1.729 0.000 0.278 127 L C -1.337 175.645 176.870 0.187 0.000 1.023 127 L CA -0.304 54.785 54.840 0.415 0.000 0.811 127 L CB 1.668 44.104 42.059 0.628 0.000 1.249 127 L HN 0.800 nan 8.230 nan 0.000 0.431 128 A N 4.309 127.258 122.820 0.216 0.000 2.414 128 A HA 0.861 4.144 4.320 -1.729 0.000 0.306 128 A C -1.397 176.318 177.584 0.219 0.000 1.054 128 A CA -0.408 51.696 52.037 0.111 0.000 0.724 128 A CB 1.026 20.178 19.000 0.253 0.000 1.267 128 A HN 0.782 nan 8.150 nan 0.000 0.418 129 F N -0.420 119.523 119.950 -0.011 0.000 2.668 129 F HA 0.728 4.215 4.527 -1.733 0.000 0.309 129 F C -1.254 174.501 175.800 -0.076 0.000 1.117 129 F CA -1.188 56.805 58.000 -0.012 0.000 0.951 129 F CB 1.028 39.997 39.000 -0.052 0.000 1.323 129 F HN 0.354 nan 8.300 nan 0.000 0.451 130 D N 1.466 121.929 120.400 0.104 0.000 2.225 130 D HA 0.536 4.139 4.640 -1.729 0.000 0.249 130 D C -0.985 175.332 176.300 0.028 0.000 1.052 130 D CA -0.298 53.653 54.000 -0.081 0.000 0.909 130 D CB 2.425 43.198 40.800 -0.045 0.000 1.186 130 D HN 0.623 nan 8.370 nan 0.000 0.431 131 V N 0.820 120.540 119.914 -0.324 0.000 2.841 131 V HA 0.375 3.457 4.120 -1.729 0.000 0.310 131 V C -1.784 174.011 176.094 -0.498 0.000 1.090 131 V CA -0.771 61.330 62.300 -0.331 0.000 0.930 131 V CB 2.353 34.006 31.823 -0.283 0.000 1.014 131 V HN 0.477 nan 8.190 nan 0.000 0.425 132 D N 5.520 125.705 120.400 -0.360 0.000 2.441 132 D HA 0.448 4.051 4.640 -1.729 0.000 0.231 132 D C -0.146 175.997 176.300 -0.262 0.000 1.073 132 D CA -0.445 53.386 54.000 -0.281 0.000 0.850 132 D CB 1.461 42.144 40.800 -0.194 0.000 1.062 132 D HN 0.504 nan 8.370 nan 0.000 0.524 133 L N 1.851 122.974 121.223 -0.168 0.000 3.218 133 L HA 0.361 3.664 4.340 -1.729 0.000 0.279 133 L C 1.497 178.307 176.870 -0.100 0.000 1.287 133 L CA -0.438 54.325 54.840 -0.128 0.000 1.024 133 L CB -0.379 41.670 42.059 -0.017 0.000 1.409 133 L HN 0.233 nan 8.230 nan 0.000 0.580 134 S N -0.833 114.799 115.700 -0.114 0.000 2.400 134 S HA -0.191 3.241 4.470 -1.729 0.000 0.232 134 S C 1.552 176.060 174.600 -0.154 0.000 1.025 134 S CA 1.623 59.743 58.200 -0.133 0.000 0.993 134 S CB -1.107 62.022 63.200 -0.118 0.000 0.808 134 S HN 0.680 nan 8.310 nan 0.000 0.478 135 T N -0.552 113.916 114.554 -0.144 0.000 3.251 135 T HA 0.470 3.783 4.350 -1.729 0.000 0.259 135 T C -0.030 174.550 174.700 -0.201 0.000 0.998 135 T CA -0.553 61.450 62.100 -0.161 0.000 0.905 135 T CB -0.217 68.589 68.868 -0.103 0.000 1.067 135 T HN 0.136 nan 8.240 nan 0.000 0.569 136 V N 2.595 122.395 119.914 -0.190 0.000 2.320 136 V HA 0.352 3.435 4.120 -1.729 0.000 0.265 136 V C 0.176 176.160 176.094 -0.184 0.000 1.048 136 V CA -0.852 61.320 62.300 -0.213 0.000 0.865 136 V CB 0.375 32.097 31.823 -0.167 0.000 1.043 136 V HN 0.436 nan 8.190 nan 0.000 0.474 137 E N 1.390 121.405 120.200 -0.307 0.000 2.314 137 E HA 0.269 3.582 4.350 -1.729 0.000 0.262 137 E C 0.120 176.555 176.600 -0.275 0.000 1.093 137 E CA -0.530 55.690 56.400 -0.299 0.000 0.908 137 E CB 1.247 30.429 29.700 -0.863 0.000 1.091 137 E HN 0.676 nan 8.360 nan 0.000 0.425 138 c N 0.905 119.250 118.600 -0.426 0.000 2.275 138 c HA 0.153 3.686 4.570 -1.729 0.000 0.391 138 c C 1.677 175.588 174.090 -0.299 0.000 1.503 138 c CA 1.252 57.307 56.329 -0.457 0.000 1.502 138 c CB -1.599 40.600 42.510 -0.518 0.000 2.529 138 c HN 0.985 nan 8.230 nan 0.000 0.588 139 G N 2.717 111.317 108.800 -0.333 0.000 2.176 139 G HA2 -0.227 2.696 3.960 -1.729 0.000 0.253 139 G HA3 -0.227 2.696 3.960 -1.729 0.000 0.253 139 G C -0.114 174.580 174.900 -0.345 0.000 0.979 139 G CA 0.163 45.085 45.100 -0.297 0.000 0.641 139 G HN 0.753 nan 8.290 nan 0.000 0.530 140 I N 0.736 121.055 120.570 -0.419 0.000 2.404 140 I HA 0.396 3.529 4.170 -1.729 0.000 0.293 140 I C -0.495 175.328 176.117 -0.491 0.000 0.992 140 I CA -1.067 59.913 61.300 -0.533 0.000 1.149 140 I CB 1.848 39.411 38.000 -0.729 0.000 1.315 140 I HN 0.048 nan 8.210 nan 0.000 0.446 141 N N 4.364 122.715 118.700 -0.581 0.000 2.443 141 N HA 0.244 3.947 4.740 -1.729 0.000 0.269 141 N C -0.933 174.481 175.510 -0.160 0.000 0.985 141 N CA -0.407 52.343 53.050 -0.500 0.000 0.921 141 N CB 1.634 39.576 38.487 -0.908 0.000 1.195 141 N HN 0.596 nan 8.380 nan 0.000 0.492 142 S N 1.933 117.651 115.700 0.030 0.000 2.411 142 S HA 0.780 4.213 4.470 -1.729 0.000 0.294 142 S C -0.076 174.903 174.600 0.632 0.000 1.115 142 S CA -0.868 57.503 58.200 0.285 0.000 1.071 142 S CB 0.959 64.192 63.200 0.055 0.000 0.967 142 S HN 0.654 nan 8.310 nan 0.000 0.488 143 A N 3.375 126.696 122.820 0.835 0.000 2.435 143 A HA 0.843 4.126 4.320 -1.729 0.000 0.304 143 A C -1.076 176.702 177.584 0.323 0.000 1.064 143 A CA -0.894 51.565 52.037 0.703 0.000 0.727 143 A CB 1.490 20.888 19.000 0.664 0.000 1.284 143 A HN 0.962 nan 8.150 nan 0.000 0.415 144 L N 2.514 123.836 121.223 0.165 0.000 2.406 144 L HA 0.801 4.103 4.340 -1.729 0.000 0.272 144 L C -1.482 175.386 176.870 -0.004 0.000 0.980 144 L CA -0.539 54.041 54.840 -0.433 0.000 0.831 144 L CB 1.405 42.741 42.059 -1.206 0.000 1.253 144 L HN 0.918 nan 8.230 nan 0.000 0.406 145 Y N 2.038 122.158 120.300 -0.300 0.000 2.744 145 Y HA 0.655 4.171 4.550 -1.723 0.000 0.330 145 Y C -1.814 173.890 175.900 -0.327 0.000 1.263 145 Y CA -1.969 56.045 58.100 -0.144 0.000 1.065 145 Y CB 0.904 39.425 38.460 0.102 0.000 1.306 145 Y HN 0.276 nan 8.280 nan 0.000 0.459 146 F N 1.424 121.479 119.950 0.175 0.000 2.508 146 F HA 0.729 4.216 4.527 -1.733 0.000 0.325 146 F C -0.234 175.626 175.800 0.099 0.000 1.090 146 F CA -1.121 56.885 58.000 0.010 0.000 0.945 146 F CB 2.354 41.321 39.000 -0.054 0.000 1.156 146 F HN 0.546 nan 8.300 nan 0.000 0.463 147 V N -0.045 120.007 119.914 0.231 0.000 3.078 147 V HA 0.813 3.896 4.120 -1.729 0.000 0.311 147 V C -0.372 175.742 176.094 0.034 0.000 1.138 147 V CA -1.306 61.063 62.300 0.115 0.000 1.007 147 V CB 1.450 33.291 31.823 0.030 0.000 1.045 147 V HN 0.869 nan 8.190 nan 0.000 0.432 148 A N 3.675 126.499 122.820 0.007 0.000 3.077 148 A HA 0.524 3.807 4.320 -1.729 0.000 0.255 148 A C 0.427 178.023 177.584 0.021 0.000 1.728 148 A CA -0.204 51.837 52.037 0.007 0.000 1.383 148 A CB -1.105 17.907 19.000 0.020 0.000 1.097 148 A HN 0.848 nan 8.150 nan 0.000 0.634 149 M N 0.435 120.024 119.600 -0.019 0.000 2.198 149 M HA 0.132 3.575 4.480 -1.729 0.000 0.315 149 M C 0.468 176.771 176.300 0.006 0.000 1.134 149 M CA 0.549 55.841 55.300 -0.013 0.000 1.171 149 M CB 0.436 32.936 32.600 -0.165 0.000 1.413 149 M HN 0.504 nan 8.290 nan 0.000 0.467 150 E N 0.835 121.024 120.200 -0.018 0.000 2.301 150 E HA -0.001 3.312 4.350 -1.729 0.000 0.275 150 E C 0.363 176.988 176.600 0.041 0.000 1.030 150 E CA -0.195 56.181 56.400 -0.040 0.000 0.852 150 E CB 0.964 30.573 29.700 -0.151 0.000 1.060 150 E HN 0.640 nan 8.360 nan 0.000 0.401 151 E N 2.491 122.697 120.200 0.011 0.000 2.204 151 E HA -0.232 3.081 4.350 -1.729 0.000 0.195 151 E C 0.811 177.350 176.600 -0.102 0.000 0.990 151 E CA 1.676 58.089 56.400 0.022 0.000 0.821 151 E CB 0.210 29.892 29.700 -0.030 0.000 0.750 151 E HN 0.538 nan 8.360 nan 0.000 0.477 152 D N -1.318 119.005 120.400 -0.129 0.000 2.346 152 D HA 0.053 3.656 4.640 -1.729 0.000 0.206 152 D C 1.321 177.481 176.300 -0.232 0.000 1.001 152 D CA 0.851 54.729 54.000 -0.204 0.000 0.871 152 D CB 0.224 40.938 40.800 -0.145 0.000 0.943 152 D HN 0.294 nan 8.370 nan 0.000 0.518 153 G N -0.569 108.167 108.800 -0.107 0.000 2.134 153 G HA2 0.022 2.945 3.960 -1.729 0.000 0.209 153 G HA3 0.022 2.945 3.960 -1.729 0.000 0.209 153 G C 1.053 175.914 174.900 -0.064 0.000 0.993 153 G CA 0.218 45.318 45.100 0.000 0.000 0.669 153 G HN 1.290 nan 8.290 nan 0.000 0.519 154 G N -0.943 107.778 108.800 -0.132 0.000 2.132 154 G HA2 -0.248 2.675 3.960 -1.729 0.000 0.234 154 G HA3 -0.248 2.675 3.960 -1.729 0.000 0.234 154 G C 1.231 176.065 174.900 -0.110 0.000 0.989 154 G CA 1.029 46.020 45.100 -0.182 0.000 0.676 154 G HN 0.819 nan 8.290 nan 0.000 0.522 155 M N -0.249 119.296 119.600 -0.092 0.000 2.108 155 M HA -0.100 3.342 4.480 -1.729 0.000 0.261 155 M C 2.861 179.111 176.300 -0.084 0.000 1.066 155 M CA 2.568 57.829 55.300 -0.065 0.000 1.107 155 M CB -0.320 32.239 32.600 -0.068 0.000 1.356 155 M HN 0.622 nan 8.290 nan 0.000 0.406 156 A N -1.201 121.545 122.820 -0.124 0.000 1.874 156 A HA -0.080 3.203 4.320 -1.729 0.000 0.214 156 A C 2.179 179.656 177.584 -0.179 0.000 1.189 156 A CA 1.691 53.652 52.037 -0.126 0.000 0.615 156 A CB -0.694 18.235 19.000 -0.120 0.000 0.830 156 A HN 0.427 nan 8.150 nan 0.000 0.443 157 S N -1.435 114.081 115.700 -0.306 0.000 2.399 157 S HA -0.067 3.366 4.470 -1.729 0.000 0.231 157 S C -0.235 174.012 174.600 -0.588 0.000 1.022 157 S CA 0.986 58.865 58.200 -0.535 0.000 0.983 157 S CB -0.302 62.374 63.200 -0.873 0.000 0.803 157 S HN 0.573 nan 8.310 nan 0.000 0.480 158 Y N -0.274 119.984 120.300 -0.071 0.000 2.662 158 Y HA 0.381 3.893 4.550 -1.730 0.000 0.358 158 Y C -2.351 173.519 175.900 -0.050 0.000 1.041 158 Y CA -2.997 55.072 58.100 -0.052 0.000 1.184 158 Y CB 0.353 38.785 38.460 -0.047 0.000 1.114 158 Y HN 0.049 nan 8.280 nan 0.000 0.650 159 P HA -0.202 nan 4.420 nan 0.000 0.222 159 P C 1.524 178.834 177.300 0.017 0.000 1.142 159 P CA 2.004 65.115 63.100 0.018 0.000 0.788 159 P CB 0.247 31.950 31.700 0.004 0.000 0.767 160 S N -1.861 113.863 115.700 0.040 0.000 2.442 160 S HA -0.126 3.306 4.470 -1.729 0.000 0.236 160 S C 1.140 175.723 174.600 -0.028 0.000 1.007 160 S CA 0.431 58.637 58.200 0.010 0.000 0.965 160 S CB -1.140 62.077 63.200 0.028 0.000 0.773 160 S HN 0.132 nan 8.310 nan 0.000 0.504 161 N N 2.101 120.795 118.700 -0.010 0.000 2.415 161 N HA 0.145 3.847 4.740 -1.729 0.000 0.250 161 N C 0.214 175.684 175.510 -0.067 0.000 1.127 161 N CA -0.045 52.967 53.050 -0.062 0.000 0.945 161 N CB 0.515 38.998 38.487 -0.007 0.000 1.196 161 N HN 0.386 nan 8.380 nan 0.000 0.499 162 Q N 2.048 121.784 119.800 -0.107 0.000 2.282 162 Q HA 0.228 3.530 4.340 -1.729 0.000 0.206 162 Q C 0.688 176.645 176.000 -0.072 0.000 0.878 162 Q CA -0.002 55.751 55.803 -0.084 0.000 0.944 162 Q CB 0.558 29.240 28.738 -0.094 0.000 1.100 162 Q HN 0.767 nan 8.270 nan 0.000 0.509 163 A N 0.216 122.982 122.820 -0.090 0.000 1.920 163 A HA 0.457 3.740 4.320 -1.729 0.000 0.209 163 A C 1.177 178.847 177.584 0.142 0.000 1.229 163 A CA 1.034 53.076 52.037 0.008 0.000 0.671 163 A CB -0.247 18.596 19.000 -0.262 0.000 0.886 163 A HN 0.391 nan 8.150 nan 0.000 0.461 164 G N -1.362 107.469 108.800 0.051 0.000 2.553 164 G HA2 0.088 3.011 3.960 -1.729 0.000 0.242 164 G HA3 0.088 3.011 3.960 -1.729 0.000 0.242 164 G C 1.125 176.018 174.900 -0.012 0.000 1.277 164 G CA 0.791 45.892 45.100 0.000 0.000 0.910 164 G HN 1.483 nan 8.290 nan 0.000 0.576 165 A N -0.581 122.127 122.820 -0.187 0.000 2.066 165 A HA 0.110 3.393 4.320 -1.729 0.000 0.218 165 A C 2.371 179.835 177.584 -0.201 0.000 1.157 165 A CA 1.929 53.710 52.037 -0.427 0.000 0.670 165 A CB -0.354 18.058 19.000 -0.981 0.000 0.804 165 A HN 0.665 nan 8.150 nan 0.000 0.453 166 R N -1.753 118.692 120.500 -0.092 0.000 2.139 166 R HA -0.192 3.111 4.340 -1.729 0.000 0.243 166 R C 0.695 176.898 176.300 -0.161 0.000 1.145 166 R CA 1.720 57.783 56.100 -0.062 0.000 0.976 166 R CB -0.350 29.828 30.300 -0.203 0.000 0.866 166 R HN 0.707 nan 8.270 nan 0.000 0.449 167 Y N -1.057 119.300 120.300 0.095 0.000 2.481 167 Y HA 0.255 3.767 4.550 -1.730 0.000 0.247 167 Y C 1.163 177.138 175.900 0.126 0.000 1.151 167 Y CA 0.215 58.371 58.100 0.093 0.000 1.238 167 Y CB 1.014 39.486 38.460 0.020 0.000 1.179 167 Y HN 0.210 nan 8.280 nan 0.000 0.524 168 G N 1.898 110.852 108.800 0.257 0.000 2.272 168 G HA2 -0.300 2.623 3.960 -1.729 0.000 0.280 168 G HA3 -0.300 2.623 3.960 -1.729 0.000 0.280 168 G C 0.302 175.412 174.900 0.351 0.000 1.067 168 G CA 0.440 45.782 45.100 0.403 0.000 0.902 168 G HN 0.436 nan 8.290 nan 0.000 0.500 169 T N -3.056 111.647 114.554 0.249 0.000 2.849 169 T HA 0.674 3.987 4.350 -1.729 0.000 0.284 169 T C 1.546 176.361 174.700 0.192 0.000 1.004 169 T CA 0.729 62.946 62.100 0.194 0.000 1.021 169 T CB 1.926 70.858 68.868 0.107 0.000 1.013 169 T HN 2.116 nan 8.240 nan 0.000 0.527 170 G N -0.288 108.628 108.800 0.194 0.000 2.159 170 G HA2 -0.227 2.696 3.960 -1.729 0.000 0.227 170 G HA3 -0.227 2.696 3.960 -1.729 0.000 0.227 170 G C -0.172 174.877 174.900 0.248 0.000 0.986 170 G CA -0.036 45.168 45.100 0.173 0.000 0.651 170 G HN 1.120 nan 8.290 nan 0.000 0.523 171 Y N 1.416 121.785 120.300 0.114 0.000 2.652 171 Y HA 0.337 3.848 4.550 -1.731 0.000 0.344 171 Y C 1.042 177.041 175.900 0.165 0.000 1.254 171 Y CA 0.365 58.516 58.100 0.085 0.000 1.480 171 Y CB 0.451 39.019 38.460 0.179 0.000 1.345 171 Y HN 0.979 nan 8.280 nan 0.000 0.617 172 c N 4.224 122.401 118.600 -0.706 0.000 3.239 172 c HA 0.830 4.362 4.570 -1.729 0.000 0.329 172 c C -1.455 172.134 174.090 -0.836 0.000 1.252 172 c CA -0.518 55.454 56.329 -0.595 0.000 1.323 172 c CB 1.146 43.447 42.510 -0.347 0.000 1.663 172 c HN 1.001 nan 8.230 nan 0.000 0.487 173 D N 0.575 120.675 120.400 -0.499 0.000 2.692 173 D HA 0.568 4.170 4.640 -1.729 0.000 0.303 173 D C 0.281 176.444 176.300 -0.229 0.000 1.278 173 D CA -0.029 53.776 54.000 -0.325 0.000 0.852 173 D CB 1.160 41.833 40.800 -0.211 0.000 1.375 173 D HN 1.083 nan 8.370 nan 0.000 0.453 174 A N -0.678 122.006 122.820 -0.228 0.000 2.235 174 A HA -0.029 3.253 4.320 -1.729 0.000 0.208 174 A C 1.464 178.941 177.584 -0.177 0.000 1.172 174 A CA 0.834 52.755 52.037 -0.195 0.000 0.786 174 A CB -0.472 18.390 19.000 -0.229 0.000 0.804 174 A HN 0.368 nan 8.150 nan 0.000 0.479 175 Q N -1.424 118.268 119.800 -0.180 0.000 2.089 175 Q HA 0.077 3.379 4.340 -1.729 0.000 0.195 175 Q C 0.293 176.243 176.000 -0.084 0.000 0.963 175 Q CA 1.118 56.839 55.803 -0.136 0.000 0.834 175 Q CB -0.400 28.274 28.738 -0.107 0.000 0.906 175 Q HN 0.705 nan 8.270 nan 0.000 0.452 176 c N 0.492 119.042 118.600 -0.083 0.000 3.634 176 c HA 0.006 3.539 4.570 -1.729 0.000 0.338 176 c C 0.416 174.500 174.090 -0.011 0.000 0.879 176 c CA -0.973 55.296 56.329 -0.100 0.000 3.006 176 c CB -1.950 40.501 42.510 -0.099 0.000 1.353 176 c HN 0.503 nan 8.230 nan 0.000 0.545 177 A N 3.240 126.060 122.820 0.000 0.000 2.901 177 A HA 0.153 3.436 4.320 -1.729 0.000 0.289 177 A C 1.367 178.905 177.584 -0.077 0.000 1.779 177 A CA 0.531 52.587 52.037 0.032 0.000 1.352 177 A CB -0.124 19.004 19.000 0.214 0.000 1.008 177 A HN 0.820 nan 8.150 nan 0.000 0.596 178 R N 0.766 121.156 120.500 -0.184 0.000 2.323 178 R HA -0.052 3.251 4.340 -1.729 0.000 0.198 178 R C 0.837 176.964 176.300 -0.288 0.000 0.988 178 R CA 0.914 56.912 56.100 -0.169 0.000 1.041 178 R CB 0.200 30.428 30.300 -0.120 0.000 0.926 178 R HN 0.896 nan 8.270 nan 0.000 0.476 179 D N 0.036 120.131 120.400 -0.508 0.000 2.349 179 D HA -0.062 3.540 4.640 -1.729 0.000 0.215 179 D C 0.495 176.809 176.300 0.023 0.000 1.016 179 D CA 0.062 53.825 54.000 -0.396 0.000 0.870 179 D CB 0.183 40.576 40.800 -0.679 0.000 0.917 179 D HN 0.119 nan 8.370 nan 0.000 0.524 180 L N 1.113 122.370 121.223 0.057 0.000 2.410 180 L HA 0.100 3.402 4.340 -1.729 0.000 0.273 180 L C 1.658 178.648 176.870 0.200 0.000 1.152 180 L CA -0.234 54.686 54.840 0.134 0.000 0.855 180 L CB 1.015 43.174 42.059 0.166 0.000 1.129 180 L HN -0.212 nan 8.230 nan 0.000 0.463 181 K N 2.738 123.172 120.400 0.057 0.000 2.155 181 K HA 0.043 3.326 4.320 -1.729 0.000 0.203 181 K C -0.314 176.244 176.600 -0.070 0.000 1.052 181 K CA 1.100 57.326 56.287 -0.101 0.000 0.948 181 K CB 0.141 32.351 32.500 -0.483 0.000 0.728 181 K HN 0.246 nan 8.250 nan 0.000 0.448 182 F N -0.138 119.887 119.950 0.124 0.000 2.507 182 F HA 0.368 3.857 4.527 -1.730 0.000 0.325 182 F C -0.584 175.282 175.800 0.111 0.000 1.116 182 F CA -1.107 56.964 58.000 0.119 0.000 0.930 182 F CB 1.945 40.990 39.000 0.074 0.000 1.146 182 F HN -0.422 nan 8.300 nan 0.000 0.447 183 V N 2.255 122.301 119.914 0.219 0.000 2.482 183 V HA 0.558 3.641 4.120 -1.729 0.000 0.295 183 V C 0.150 176.222 176.094 -0.037 0.000 1.026 183 V CA -0.666 61.715 62.300 0.137 0.000 0.856 183 V CB 1.411 33.311 31.823 0.128 0.000 1.001 183 V HN 0.962 nan 8.190 nan 0.000 0.424 184 G N 4.183 112.953 108.800 -0.049 0.000 2.338 184 G HA2 0.022 2.944 3.960 -1.729 0.000 0.296 184 G HA3 0.022 2.944 3.960 -1.729 0.000 0.296 184 G C 1.237 175.726 174.900 -0.686 0.000 1.040 184 G CA 0.798 45.432 45.100 -0.777 0.000 1.004 184 G HN 2.352 nan 8.290 nan 0.000 0.509 185 G N -1.504 107.183 108.800 -0.189 0.000 2.205 185 G HA2 -0.316 2.606 3.960 -1.729 0.000 0.269 185 G HA3 -0.316 2.606 3.960 -1.729 0.000 0.269 185 G C 0.502 175.473 174.900 0.117 0.000 0.977 185 G CA 1.388 46.493 45.100 0.008 0.000 0.652 185 G HN 0.984 nan 8.290 nan 0.000 0.539 186 K N 0.369 120.813 120.400 0.073 0.000 2.221 186 K HA 0.767 4.049 4.320 -1.729 0.000 0.258 186 K C 0.471 177.103 176.600 0.053 0.000 0.944 186 K CA -0.028 56.310 56.287 0.086 0.000 0.823 186 K CB 1.782 34.239 32.500 -0.072 0.000 1.113 186 K HN 0.545 nan 8.250 nan 0.000 0.431 187 A N 2.155 124.849 122.820 -0.210 0.000 2.445 187 A HA 0.115 3.398 4.320 -1.729 0.000 0.242 187 A C 0.528 177.806 177.584 -0.510 0.000 1.075 187 A CA -0.117 51.383 52.037 -0.896 0.000 0.777 187 A CB 0.001 18.296 19.000 -1.175 0.000 1.013 187 A HN 0.623 nan 8.150 nan 0.000 0.493 188 N N 1.140 119.559 118.700 -0.470 0.000 2.378 188 N HA 0.080 3.783 4.740 -1.729 0.000 0.243 188 N C 0.932 176.243 175.510 -0.333 0.000 1.137 188 N CA 0.048 53.019 53.050 -0.132 0.000 0.862 188 N CB -0.098 38.557 38.487 0.280 0.000 1.116 188 N HN 0.729 nan 8.380 nan 0.000 0.499 189 I N 0.165 120.099 120.570 -1.060 0.000 2.406 189 I HA -0.066 3.066 4.170 -1.729 0.000 0.249 189 I C 0.041 175.855 176.117 -0.505 0.000 1.122 189 I CA 0.644 61.093 61.300 -1.418 0.000 1.431 189 I CB 0.203 37.273 38.000 -1.549 0.000 1.087 189 I HN 0.085 nan 8.210 nan 0.000 0.424 190 E N 1.637 121.624 120.200 -0.354 0.000 1.881 190 E HA 0.328 3.640 4.350 -1.729 0.000 0.264 190 E C 0.705 177.234 176.600 -0.118 0.000 1.243 190 E CA 0.384 56.663 56.400 -0.201 0.000 0.965 190 E CB -0.147 29.437 29.700 -0.194 0.000 1.055 190 E HN 0.515 nan 8.360 nan 0.000 0.412 191 G N 3.313 112.094 108.800 -0.031 0.000 2.134 191 G HA2 -0.257 2.665 3.960 -1.729 0.000 0.209 191 G HA3 -0.257 2.665 3.960 -1.729 0.000 0.209 191 G C -0.323 174.624 174.900 0.079 0.000 0.993 191 G CA -0.468 44.632 45.100 0.001 0.000 0.669 191 G HN 0.649 nan 8.290 nan 0.000 0.519 192 W N 2.115 123.390 121.300 -0.042 0.000 2.347 192 W HA 0.428 4.051 4.660 -1.728 0.000 0.333 192 W C -0.461 176.105 176.519 0.077 0.000 1.383 192 W CA 0.329 57.716 57.345 0.070 0.000 1.283 192 W CB 0.534 30.151 29.460 0.262 0.000 1.253 192 W HN -0.022 nan 8.180 nan 0.000 0.563 193 K N 5.403 125.586 120.400 -0.362 0.000 2.464 193 K HA 0.179 3.462 4.320 -1.729 0.000 0.252 193 K C -0.191 176.181 176.600 -0.381 0.000 1.000 193 K CA -0.495 55.644 56.287 -0.248 0.000 0.951 193 K CB 1.315 33.713 32.500 -0.170 0.000 1.183 193 K HN 0.223 nan 8.250 nan 0.000 0.445 194 S N 1.631 117.229 115.700 -0.169 0.000 2.525 194 S HA -0.009 3.423 4.470 -1.729 0.000 0.285 194 S C 0.824 175.369 174.600 -0.092 0.000 1.283 194 S CA -0.210 57.948 58.200 -0.071 0.000 1.072 194 S CB 0.297 63.536 63.200 0.066 0.000 0.867 194 S HN 0.636 nan 8.310 nan 0.000 0.492 195 S N 2.997 118.639 115.700 -0.095 0.000 2.566 195 S HA 0.029 3.462 4.470 -1.729 0.000 0.280 195 S C 1.302 175.849 174.600 -0.089 0.000 1.343 195 S CA -0.126 58.010 58.200 -0.107 0.000 1.036 195 S CB 0.616 63.731 63.200 -0.142 0.000 0.866 195 S HN 0.635 nan 8.310 nan 0.000 0.526 196 T N 1.616 116.111 114.554 -0.097 0.000 2.812 196 T HA -0.044 3.269 4.350 -1.729 0.000 0.264 196 T C 1.794 176.460 174.700 -0.056 0.000 1.042 196 T CA 1.699 63.759 62.100 -0.067 0.000 1.140 196 T CB -0.526 68.302 68.868 -0.066 0.000 0.870 196 T HN 0.900 nan 8.240 nan 0.000 0.445 197 S N -0.795 114.855 115.700 -0.084 0.000 2.526 197 S HA 0.205 3.638 4.470 -1.729 0.000 0.220 197 S C 0.016 174.564 174.600 -0.087 0.000 1.017 197 S CA -0.458 57.728 58.200 -0.024 0.000 0.930 197 S CB 0.441 63.702 63.200 0.101 0.000 0.856 197 S HN 0.294 nan 8.310 nan 0.000 0.497 198 D N 2.032 122.276 120.400 -0.260 0.000 2.481 198 D HA 0.459 4.062 4.640 -1.729 0.000 0.246 198 D C -2.638 173.609 176.300 -0.089 0.000 1.109 198 D CA -2.277 51.566 54.000 -0.262 0.000 0.845 198 D CB 2.172 42.614 40.800 -0.597 0.000 1.160 198 D HN -0.106 nan 8.370 nan 0.000 0.534 199 P HA 0.114 nan 4.420 nan 0.000 0.242 199 P C 0.268 177.584 177.300 0.026 0.000 1.197 199 P CA 0.410 63.511 63.100 0.002 0.000 0.765 199 P CB 0.359 32.063 31.700 0.007 0.000 0.936 200 N N -1.451 117.272 118.700 0.039 0.000 2.181 200 N HA 0.209 3.911 4.740 -1.729 0.000 0.207 200 N C 0.376 175.963 175.510 0.129 0.000 1.182 200 N CA 0.111 53.210 53.050 0.080 0.000 0.893 200 N CB 0.904 39.420 38.487 0.048 0.000 1.032 200 N HN 0.027 nan 8.380 nan 0.000 0.513 201 A N -0.461 122.426 122.820 0.110 0.000 2.435 201 A HA 0.920 4.203 4.320 -1.729 0.000 0.296 201 A C 0.023 177.694 177.584 0.146 0.000 1.147 201 A CA -0.313 51.804 52.037 0.135 0.000 0.775 201 A CB 1.633 20.651 19.000 0.031 0.000 1.340 201 A HN 0.112 nan 8.150 nan 0.000 0.427 202 G N -1.589 107.214 108.800 0.005 0.000 2.749 202 G HA2 0.599 3.521 3.960 -1.729 0.000 0.300 202 G HA3 0.599 3.521 3.960 -1.729 0.000 0.300 202 G C -1.920 172.327 174.900 -1.089 0.000 1.352 202 G CA -0.349 44.334 45.100 -0.695 0.000 0.789 202 G HN 1.236 nan 8.290 nan 0.000 0.509 203 V N 0.072 119.214 119.914 -1.287 0.000 2.577 203 V HA 0.773 3.855 4.120 -1.729 0.000 0.303 203 V C 0.710 176.394 176.094 -0.683 0.000 1.042 203 V CA 0.061 61.890 62.300 -0.786 0.000 0.872 203 V CB 1.330 32.970 31.823 -0.305 0.000 0.998 203 V HN 1.199 nan 8.190 nan 0.000 0.423 204 G N 3.932 112.562 108.800 -0.283 0.000 2.613 204 G HA2 0.639 3.561 3.960 -1.729 0.000 0.303 204 G HA3 0.639 3.561 3.960 -1.729 0.000 0.303 204 G C -1.845 172.996 174.900 -0.098 0.000 1.312 204 G CA -1.152 43.977 45.100 0.048 0.000 1.036 204 G HN 0.514 nan 8.290 nan 0.000 0.513 205 P HA 0.067 nan 4.420 nan 0.000 0.240 205 P C 0.070 177.215 177.300 -0.258 0.000 1.190 205 P CA 0.610 63.535 63.100 -0.292 0.000 0.781 205 P CB 0.260 31.689 31.700 -0.452 0.000 0.931 206 Y N 1.031 121.325 120.300 -0.010 0.000 3.137 206 Y HA 0.501 4.013 4.550 -1.730 0.000 0.486 206 Y C 1.298 177.170 175.900 -0.047 0.000 1.249 206 Y CA 0.203 58.284 58.100 -0.031 0.000 1.949 206 Y CB -0.277 38.159 38.460 -0.039 0.000 1.622 206 Y HN -0.088 nan 8.280 nan 0.000 0.721 207 G N -0.380 108.495 108.800 0.126 0.000 2.249 207 G HA2 0.236 3.158 3.960 -1.729 0.000 0.252 207 G HA3 0.236 3.158 3.960 -1.729 0.000 0.252 207 G C -1.663 173.151 174.900 -0.143 0.000 1.697 207 G CA -0.730 44.362 45.100 -0.014 0.000 0.916 207 G HN 0.525 nan 8.290 nan 0.000 0.725 208 S N 0.058 115.637 115.700 -0.201 0.000 2.423 208 S HA 0.656 4.089 4.470 -1.729 0.000 0.317 208 S C 0.325 174.619 174.600 -0.510 0.000 1.065 208 S CA -0.739 57.184 58.200 -0.462 0.000 1.111 208 S CB 0.660 63.663 63.200 -0.329 0.000 0.968 208 S HN 0.962 nan 8.310 nan 0.000 0.474 209 c N 2.985 121.170 118.600 -0.692 0.000 2.391 209 c HA 0.978 4.511 4.570 -1.729 0.000 0.339 209 c C 0.587 174.300 174.090 -0.628 0.000 1.205 209 c CA -0.718 55.225 56.329 -0.644 0.000 1.937 209 c CB -0.297 41.747 42.510 -0.776 0.000 2.341 209 c HN 1.239 nan 8.230 nan 0.000 0.516 210 c N 0.294 118.700 118.600 -0.324 0.000 3.045 210 c HA 0.754 4.287 4.570 -1.729 0.000 0.338 210 c C -0.107 173.944 174.090 -0.065 0.000 1.267 210 c CA -0.803 55.446 56.329 -0.133 0.000 1.177 210 c CB 0.120 42.569 42.510 -0.102 0.000 1.380 210 c HN 1.578 nan 8.230 nan 0.000 0.469 211 A N 0.805 123.627 122.820 0.002 0.000 2.555 211 A HA 0.478 3.760 4.320 -1.729 0.000 0.233 211 A C 0.201 177.806 177.584 0.034 0.000 1.060 211 A CA 0.914 52.967 52.037 0.027 0.000 0.759 211 A CB 0.082 19.105 19.000 0.037 0.000 0.995 211 A HN 1.217 nan 8.150 nan 0.000 0.506 212 E N 1.463 121.711 120.200 0.081 0.000 2.302 212 E HA 0.451 3.763 4.350 -1.729 0.000 0.263 212 E C -1.830 174.930 176.600 0.268 0.000 0.897 212 E CA -0.548 55.930 56.400 0.129 0.000 0.809 212 E CB 0.793 30.468 29.700 -0.042 0.000 1.270 212 E HN 0.490 nan 8.360 nan 0.000 0.410 213 I N 3.996 124.773 120.570 0.345 0.000 2.307 213 I HA 0.154 3.287 4.170 -1.729 0.000 0.287 213 I C -0.267 176.175 176.117 0.540 0.000 1.054 213 I CA -0.462 61.105 61.300 0.445 0.000 1.218 213 I CB 0.916 39.173 38.000 0.429 0.000 1.398 213 I HN 0.310 nan 8.210 nan 0.000 0.475 214 D N 6.401 127.116 120.400 0.524 0.000 2.398 214 D HA 0.027 3.630 4.640 -1.729 0.000 0.250 214 D C 1.451 178.154 176.300 0.671 0.000 1.287 214 D CA 0.134 54.433 54.000 0.499 0.000 0.992 214 D CB 1.323 42.351 40.800 0.381 0.000 1.071 214 D HN 0.268 nan 8.370 nan 0.000 0.514 215 V N 1.917 122.212 119.914 0.635 0.000 2.490 215 V HA -0.129 2.953 4.120 -1.729 0.000 0.250 215 V C 0.810 177.271 176.094 0.611 0.000 1.061 215 V CA 0.928 63.575 62.300 0.580 0.000 1.064 215 V CB 0.007 32.084 31.823 0.424 0.000 0.670 215 V HN 0.644 nan 8.190 nan 0.000 0.461 216 W N 0.965 122.491 121.300 0.377 0.000 2.916 216 W HA 0.368 3.994 4.660 -1.724 0.000 0.317 216 W C -1.320 175.460 176.519 0.435 0.000 1.047 216 W CA -0.684 56.915 57.345 0.423 0.000 1.234 216 W CB 1.089 30.834 29.460 0.474 0.000 1.143 216 W HN 0.136 nan 8.180 nan 0.000 0.372 217 E N 3.286 123.548 120.200 0.105 0.000 2.171 217 E HA 0.558 3.871 4.350 -1.729 0.000 0.271 217 E C -0.218 176.227 176.600 -0.258 0.000 0.916 217 E CA -0.297 56.152 56.400 0.082 0.000 0.774 217 E CB 2.339 32.221 29.700 0.305 0.000 1.128 217 E HN 0.333 nan 8.360 nan 0.000 0.403 218 S N 2.296 117.863 115.700 -0.222 0.000 2.636 218 S HA 0.604 4.037 4.470 -1.729 0.000 0.268 218 S C -0.917 173.629 174.600 -0.090 0.000 1.159 218 S CA -1.005 57.029 58.200 -0.277 0.000 0.815 218 S CB 1.521 64.400 63.200 -0.534 0.000 1.130 218 S HN 0.649 nan 8.310 nan 0.000 0.471 219 N N -0.322 118.390 118.700 0.020 0.000 3.635 219 N HA 0.621 4.324 4.740 -1.729 0.000 0.347 219 N C 0.442 176.066 175.510 0.190 0.000 1.596 219 N CA -0.322 52.766 53.050 0.064 0.000 0.778 219 N CB -0.156 38.303 38.487 -0.047 0.000 2.436 219 N HN 0.980 nan 8.380 nan 0.000 0.569 220 A N -1.834 121.034 122.820 0.079 0.000 2.238 220 A HA 0.210 3.492 4.320 -1.729 0.000 0.208 220 A C 0.175 177.546 177.584 -0.355 0.000 1.177 220 A CA 0.722 52.654 52.037 -0.175 0.000 0.804 220 A CB -0.903 17.889 19.000 -0.347 0.000 0.823 220 A HN 0.564 nan 8.150 nan 0.000 0.482 221 Y N -2.123 118.197 120.300 0.033 0.000 2.441 221 Y HA 0.576 4.088 4.550 -1.731 0.000 0.266 221 Y C 0.781 176.766 175.900 0.142 0.000 1.093 221 Y CA 0.087 58.198 58.100 0.018 0.000 1.246 221 Y CB 0.595 38.984 38.460 -0.118 0.000 1.262 221 Y HN 0.288 nan 8.280 nan 0.000 0.518 222 A N 0.376 123.385 122.820 0.316 0.000 2.597 222 A HA 0.668 3.951 4.320 -1.729 0.000 0.292 222 A C -1.807 175.690 177.584 -0.144 0.000 1.057 222 A CA -0.598 51.461 52.037 0.037 0.000 0.674 222 A CB 0.748 19.657 19.000 -0.151 0.000 1.278 222 A HN 0.239 nan 8.150 nan 0.000 0.416 223 F N -1.026 118.609 119.950 -0.524 0.000 2.645 223 F HA 0.946 4.444 4.527 -1.714 0.000 0.310 223 F C -0.386 175.257 175.800 -0.262 0.000 1.102 223 F CA -0.610 57.021 58.000 -0.615 0.000 0.952 223 F CB 1.521 39.833 39.000 -1.147 0.000 1.326 223 F HN 1.327 nan 8.300 nan 0.000 0.456 224 A N 2.516 125.276 122.820 -0.099 0.000 2.449 224 A HA 0.660 3.943 4.320 -1.729 0.000 0.302 224 A C -2.184 175.657 177.584 0.429 0.000 1.048 224 A CA -0.588 51.509 52.037 0.100 0.000 0.708 224 A CB 1.237 20.339 19.000 0.170 0.000 1.274 224 A HN 1.010 nan 8.150 nan 0.000 0.410 225 F N 2.628 122.789 119.950 0.352 0.000 2.361 225 F HA 0.525 4.025 4.527 -1.713 0.000 0.364 225 F C -0.433 175.553 175.800 0.311 0.000 1.120 225 F CA -0.134 58.110 58.000 0.407 0.000 1.102 225 F CB 1.064 40.327 39.000 0.438 0.000 1.183 225 F HN 0.492 nan 8.300 nan 0.000 0.476 226 T N 6.683 121.538 114.554 0.502 0.000 3.176 226 T HA 0.229 3.541 4.350 -1.729 0.000 0.337 226 T C -2.894 171.951 174.700 0.241 0.000 0.957 226 T CA -1.139 61.090 62.100 0.215 0.000 1.092 226 T CB 1.323 70.307 68.868 0.194 0.000 1.018 226 T HN 0.310 nan 8.240 nan 0.000 0.473 227 P HA 0.293 nan 4.420 nan 0.000 0.279 227 P C -0.841 176.561 177.300 0.170 0.000 1.239 227 P CA -0.338 62.890 63.100 0.213 0.000 0.789 227 P CB 0.708 32.471 31.700 0.104 0.000 0.933 228 H N 0.689 119.843 119.070 0.139 0.000 2.600 228 H HA 0.655 4.195 4.556 -1.694 0.000 0.357 228 H C -0.487 174.855 175.328 0.023 0.000 1.106 228 H CA -1.083 55.026 56.048 0.101 0.000 1.193 228 H CB 2.371 32.175 29.762 0.069 0.000 1.594 228 H HN 0.504 nan 8.280 nan 0.000 0.526 229 A N 1.731 124.590 122.820 0.065 0.000 2.346 229 A HA 0.731 4.013 4.320 -1.729 0.000 0.313 229 A C -0.640 176.933 177.584 -0.019 0.000 1.140 229 A CA -0.456 51.563 52.037 -0.031 0.000 0.826 229 A CB 1.138 20.034 19.000 -0.173 0.000 1.332 229 A HN 0.780 nan 8.150 nan 0.000 0.457 230 c N -0.860 117.731 118.600 -0.014 0.000 3.080 230 c HA 0.596 4.129 4.570 -1.729 0.000 0.307 230 c C 1.880 175.954 174.090 -0.027 0.000 1.311 230 c CA 0.273 56.608 56.329 0.009 0.000 1.533 230 c CB 1.467 44.033 42.510 0.094 0.000 1.970 230 c HN 1.027 nan 8.230 nan 0.000 0.467 231 T N -2.226 112.303 114.554 -0.042 0.000 3.051 231 T HA -0.006 3.307 4.350 -1.729 0.000 0.269 231 T C 0.488 175.137 174.700 -0.085 0.000 1.127 231 T CA 1.115 63.174 62.100 -0.067 0.000 1.107 231 T CB -0.442 68.384 68.868 -0.070 0.000 0.898 231 T HN 0.716 nan 8.240 nan 0.000 0.517 232 T N 2.554 117.046 114.554 -0.103 0.000 2.963 232 T HA 0.344 3.656 4.350 -1.729 0.000 0.328 232 T C 0.370 175.091 174.700 0.034 0.000 1.048 232 T CA -0.802 61.234 62.100 -0.106 0.000 1.033 232 T CB 1.239 69.914 68.868 -0.321 0.000 1.010 232 T HN 0.104 nan 8.240 nan 0.000 0.469 233 N N 1.967 120.690 118.700 0.038 0.000 2.396 233 N HA -0.041 3.661 4.740 -1.729 0.000 0.180 233 N C 0.868 176.433 175.510 0.092 0.000 1.028 233 N CA 0.579 53.665 53.050 0.060 0.000 0.893 233 N CB 0.403 38.905 38.487 0.024 0.000 0.967 233 N HN 0.706 nan 8.380 nan 0.000 0.440 234 E N 0.626 120.893 120.200 0.111 0.000 2.392 234 E HA -0.085 3.228 4.350 -1.729 0.000 0.259 234 E C -0.170 176.565 176.600 0.224 0.000 1.108 234 E CA -0.603 55.878 56.400 0.135 0.000 0.916 234 E CB 0.453 30.217 29.700 0.107 0.000 0.989 234 E HN 0.172 nan 8.360 nan 0.000 0.432 235 Y N 3.228 123.558 120.300 0.050 0.000 2.916 235 Y HA -0.164 3.350 4.550 -1.728 0.000 0.344 235 Y C 0.302 176.273 175.900 0.119 0.000 1.282 235 Y CA 0.984 59.095 58.100 0.018 0.000 1.604 235 Y CB 0.091 38.566 38.460 0.025 0.000 1.207 235 Y HN 0.515 nan 8.280 nan 0.000 0.561 236 H N 3.067 122.038 119.070 -0.166 0.000 2.990 236 H HA 0.649 4.167 4.556 -1.731 0.000 0.343 236 H C -1.866 173.330 175.328 -0.221 0.000 1.270 236 H CA -1.188 54.830 56.048 -0.050 0.000 1.118 236 H CB 0.768 30.523 29.762 -0.012 0.000 1.861 236 H HN 0.387 nan 8.280 nan 0.000 0.544 237 V N 1.780 121.693 119.914 -0.002 0.000 2.417 237 V HA 0.273 3.355 4.120 -1.729 0.000 0.291 237 V C 0.998 177.100 176.094 0.014 0.000 1.024 237 V CA -0.551 61.686 62.300 -0.104 0.000 0.861 237 V CB 0.868 32.624 31.823 -0.112 0.000 0.985 237 V HN 1.046 nan 8.190 nan 0.000 0.436 238 c N 2.815 121.416 118.600 0.002 0.000 2.484 238 c HA 0.946 4.479 4.570 -1.729 0.000 0.409 238 c C -0.108 174.051 174.090 0.114 0.000 1.434 238 c CA -0.749 55.622 56.329 0.069 0.000 1.913 238 c CB 1.110 43.648 42.510 0.046 0.000 2.028 238 c HN 0.982 nan 8.230 nan 0.000 0.516 239 E N -0.489 119.777 120.200 0.110 0.000 2.291 239 E HA 0.436 3.748 4.350 -1.729 0.000 0.276 239 E C 0.594 177.227 176.600 0.055 0.000 0.896 239 E CA 0.467 56.949 56.400 0.137 0.000 0.774 239 E CB 1.579 31.391 29.700 0.187 0.000 1.227 239 E HN 1.268 nan 8.360 nan 0.000 0.413 240 T N 0.808 115.370 114.554 0.013 0.000 13.084 240 T HA -0.451 2.862 4.350 -1.729 0.000 0.413 240 T C 1.529 176.232 174.700 0.005 0.000 1.448 240 T CA 2.800 64.894 62.100 -0.010 0.000 2.331 240 T CB -2.497 66.357 68.868 -0.023 0.000 2.773 240 T HN 0.820 nan 8.240 nan 0.000 0.614 241 T N -0.628 113.931 114.554 0.009 0.000 3.113 241 T HA 0.182 3.495 4.350 -1.729 0.000 0.256 241 T C 1.537 176.250 174.700 0.021 0.000 1.131 241 T CA 0.961 63.069 62.100 0.014 0.000 1.074 241 T CB -0.282 68.594 68.868 0.013 0.000 0.944 241 T HN 0.547 nan 8.240 nan 0.000 0.516 242 N N 0.265 118.982 118.700 0.027 0.000 2.412 242 N HA 0.158 3.861 4.740 -1.729 0.000 0.184 242 N C 0.110 175.642 175.510 0.036 0.000 1.101 242 N CA -0.094 52.977 53.050 0.035 0.000 0.881 242 N CB -0.186 38.328 38.487 0.045 0.000 0.969 242 N HN 0.456 nan 8.380 nan 0.000 0.459 243 c N -0.437 118.179 118.600 0.026 0.000 2.362 243 c HA 0.796 4.328 4.570 -1.729 0.000 0.363 243 c C 1.373 175.463 174.090 0.000 0.000 1.220 243 c CA -0.827 55.510 56.329 0.013 0.000 2.379 243 c CB 1.024 43.538 42.510 0.006 0.000 2.351 243 c HN 0.330 nan 8.230 nan 0.000 0.582 244 G N -0.640 108.148 108.800 -0.019 0.000 3.209 244 G HA2 0.764 3.687 3.960 -1.729 0.000 0.236 244 G HA3 0.764 3.687 3.960 -1.729 0.000 0.236 244 G C -0.150 174.693 174.900 -0.094 0.000 1.329 244 G CA 0.164 45.231 45.100 -0.056 0.000 1.015 244 G HN 1.734 nan 8.290 nan 0.000 0.571 245 G N -2.225 106.474 108.800 -0.167 0.000 2.795 245 G HA2 -0.003 2.920 3.960 -1.729 0.000 0.664 245 G HA3 -0.003 2.920 3.960 -1.729 0.000 0.664 245 G C 0.836 175.568 174.900 -0.280 0.000 1.381 245 G CA 0.429 45.406 45.100 -0.205 0.000 0.853 245 G HN 1.119 nan 8.290 nan 0.000 0.545 246 T N 0.062 114.361 114.554 -0.425 0.000 2.833 246 T HA -0.091 3.221 4.350 -1.729 0.000 0.269 246 T C 1.829 176.020 174.700 -0.848 0.000 1.054 246 T CA 2.647 64.333 62.100 -0.691 0.000 1.135 246 T CB -0.256 68.060 68.868 -0.920 0.000 0.869 246 T HN 0.437 nan 8.240 nan 0.000 0.466 247 Y N 1.196 121.259 120.300 -0.396 0.000 2.490 247 Y HA 0.334 3.848 4.550 -1.726 0.000 0.281 247 Y C 1.170 176.976 175.900 -0.157 0.000 1.174 247 Y CA -0.423 57.492 58.100 -0.308 0.000 1.295 247 Y CB 0.147 38.485 38.460 -0.203 0.000 1.062 247 Y HN 0.033 nan 8.280 nan 0.000 0.522 248 S N -0.667 115.001 115.700 -0.055 0.000 2.648 248 S HA 0.176 3.608 4.470 -1.729 0.000 0.305 248 S C 0.849 175.438 174.600 -0.019 0.000 1.094 248 S CA -0.859 57.329 58.200 -0.020 0.000 0.983 248 S CB 1.770 64.954 63.200 -0.027 0.000 1.101 248 S HN 0.270 nan 8.310 nan 0.000 0.514 249 E N 0.856 121.058 120.200 0.004 0.000 2.085 249 E HA -0.162 3.151 4.350 -1.729 0.000 0.194 249 E C -0.078 176.534 176.600 0.020 0.000 0.994 249 E CA 1.086 57.497 56.400 0.017 0.000 0.801 249 E CB 0.137 29.848 29.700 0.018 0.000 0.743 249 E HN 0.404 nan 8.360 nan 0.000 0.453 250 D N -0.629 119.778 120.400 0.013 0.000 2.446 250 D HA 0.100 3.702 4.640 -1.729 0.000 0.251 250 D C 0.426 176.711 176.300 -0.024 0.000 1.137 250 D CA -0.279 53.743 54.000 0.036 0.000 0.890 250 D CB 0.626 41.466 40.800 0.066 0.000 1.071 250 D HN -0.137 nan 8.370 nan 0.000 0.528 251 R N 2.337 122.762 120.500 -0.125 0.000 2.174 251 R HA -0.179 3.124 4.340 -1.729 0.000 0.253 251 R C 0.720 176.723 176.300 -0.496 0.000 1.165 251 R CA 1.574 57.434 56.100 -0.399 0.000 0.984 251 R CB -0.041 29.836 30.300 -0.704 0.000 0.873 251 R HN 0.366 nan 8.270 nan 0.000 0.456 252 F N -1.059 118.884 119.950 -0.011 0.000 2.660 252 F HA 0.292 3.768 4.527 -1.751 0.000 0.302 252 F C 1.530 177.324 175.800 -0.009 0.000 1.103 252 F CA 0.021 58.014 58.000 -0.011 0.000 1.340 252 F CB 0.550 39.542 39.000 -0.012 0.000 1.048 252 F HN 0.022 nan 8.300 nan 0.000 0.551 253 A N 0.155 123.030 122.820 0.092 0.000 2.259 253 A HA 0.429 3.712 4.320 -1.729 0.000 0.208 253 A C 1.667 179.277 177.584 0.043 0.000 1.201 253 A CA 0.796 52.872 52.037 0.065 0.000 0.824 253 A CB -0.928 18.096 19.000 0.041 0.000 0.838 253 A HN 0.383 nan 8.150 nan 0.000 0.485 254 G N -0.658 108.164 108.800 0.035 0.000 3.271 254 G HA2 0.356 3.279 3.960 -1.729 0.000 0.174 254 G HA3 0.356 3.279 3.960 -1.729 0.000 0.174 254 G C 0.583 175.513 174.900 0.049 0.000 1.385 254 G CA -0.250 44.876 45.100 0.042 0.000 0.979 254 G HN 0.198 nan 8.290 nan 0.000 0.610 255 K N -1.250 119.194 120.400 0.073 0.000 2.358 255 K HA 0.296 3.578 4.320 -1.729 0.000 0.197 255 K C -0.288 176.340 176.600 0.046 0.000 1.025 255 K CA -0.219 56.093 56.287 0.041 0.000 1.104 255 K CB 0.375 32.872 32.500 -0.004 0.000 0.855 255 K HN 0.194 nan 8.250 nan 0.000 0.531 256 c N 0.715 119.349 118.600 0.056 0.000 2.470 256 c HA 0.294 3.826 4.570 -1.729 0.000 0.341 256 c C -0.326 173.787 174.090 0.039 0.000 1.190 256 c CA -1.119 55.235 56.329 0.042 0.000 1.904 256 c CB 1.330 43.853 42.510 0.023 0.000 2.354 256 c HN 0.329 nan 8.230 nan 0.000 0.509 257 D N 0.520 120.956 120.400 0.060 0.000 2.443 257 D HA 0.453 4.056 4.640 -1.729 0.000 0.221 257 D C 0.639 177.056 176.300 0.195 0.000 1.097 257 D CA -0.268 53.794 54.000 0.105 0.000 0.865 257 D CB 1.162 42.016 40.800 0.090 0.000 1.034 257 D HN 0.609 nan 8.370 nan 0.000 0.511 258 A N 4.204 127.074 122.820 0.082 0.000 2.121 258 A HA -0.132 3.151 4.320 -1.729 0.000 0.218 258 A C 1.668 179.345 177.584 0.154 0.000 1.154 258 A CA 0.859 52.914 52.037 0.031 0.000 0.679 258 A CB -0.092 18.796 19.000 -0.187 0.000 0.795 258 A HN 0.522 nan 8.150 nan 0.000 0.458 259 N N -0.975 117.811 118.700 0.144 0.000 2.428 259 N HA 0.307 4.010 4.740 -1.729 0.000 0.181 259 N C 1.182 176.627 175.510 -0.108 0.000 1.028 259 N CA 1.287 54.394 53.050 0.096 0.000 0.877 259 N CB -0.132 38.459 38.487 0.173 0.000 1.064 259 N HN 0.624 nan 8.380 nan 0.000 0.434 260 G N 0.087 108.809 108.800 -0.130 0.000 2.587 260 G HA2 -0.224 2.699 3.960 -1.729 0.000 0.212 260 G HA3 -0.224 2.699 3.960 -1.729 0.000 0.212 260 G C -0.831 174.113 174.900 0.074 0.000 1.327 260 G CA -0.280 44.611 45.100 -0.347 0.000 0.898 260 G HN 0.503 nan 8.290 nan 0.000 0.551 261 c N 2.452 121.023 118.600 -0.047 0.000 2.386 261 c HA 0.666 4.199 4.570 -1.729 0.000 0.318 261 c C -0.314 173.710 174.090 -0.111 0.000 1.128 261 c CA -0.196 56.026 56.329 -0.178 0.000 1.438 261 c CB -0.727 41.341 42.510 -0.736 0.000 1.987 261 c HN 0.903 nan 8.230 nan 0.000 0.426 262 D N 3.261 123.634 120.400 -0.045 0.000 2.163 262 D HA 0.218 3.820 4.640 -1.729 0.000 0.248 262 D C -1.180 175.165 176.300 0.076 0.000 1.035 262 D CA -0.314 53.715 54.000 0.047 0.000 0.872 262 D CB 1.421 42.273 40.800 0.086 0.000 1.183 262 D HN 0.628 nan 8.370 nan 0.000 0.445 263 Y N 1.577 121.923 120.300 0.076 0.000 2.447 263 Y HA 0.216 3.733 4.550 -1.723 0.000 0.325 263 Y C -0.825 175.098 175.900 0.037 0.000 0.976 263 Y CA -0.885 57.267 58.100 0.087 0.000 1.280 263 Y CB 0.964 39.506 38.460 0.137 0.000 1.104 263 Y HN 0.360 nan 8.280 nan 0.000 0.486 264 N N 7.876 126.445 118.700 -0.219 0.000 2.443 264 N HA 0.323 4.026 4.740 -1.729 0.000 0.269 264 N C -2.308 173.018 175.510 -0.306 0.000 0.985 264 N CA -2.617 50.235 53.050 -0.329 0.000 0.921 264 N CB 2.246 40.609 38.487 -0.208 0.000 1.195 264 N HN 0.289 nan 8.380 nan 0.000 0.492 265 P HA -0.124 nan 4.420 nan 0.000 0.221 265 P C 1.070 178.422 177.300 0.087 0.000 1.150 265 P CA 0.839 63.965 63.100 0.043 0.000 0.800 265 P CB 0.231 32.134 31.700 0.339 0.000 0.787 266 Y N 1.864 122.160 120.300 -0.007 0.000 2.133 266 Y HA -0.124 3.384 4.550 -1.738 0.000 0.287 266 Y C 2.926 178.859 175.900 0.055 0.000 1.134 266 Y CA 1.701 59.828 58.100 0.045 0.000 1.133 266 Y CB -0.737 37.748 38.460 0.042 0.000 0.987 266 Y HN -0.279 nan 8.280 nan 0.000 0.502 267 R N -0.476 120.185 120.500 0.268 0.000 2.117 267 R HA -0.175 3.128 4.340 -1.729 0.000 0.243 267 R C 1.666 178.202 176.300 0.394 0.000 1.143 267 R CA 1.697 57.938 56.100 0.235 0.000 0.968 267 R CB -0.190 30.161 30.300 0.085 0.000 0.863 267 R HN 0.308 nan 8.270 nan 0.000 0.444 268 M N -0.580 119.134 119.600 0.191 0.000 2.628 268 M HA 0.120 3.563 4.480 -1.729 0.000 0.232 268 M C 0.952 177.253 176.300 0.002 0.000 1.128 268 M CA 1.060 56.499 55.300 0.231 0.000 1.040 268 M CB 0.584 33.025 32.600 -0.265 0.000 1.608 268 M HN 0.552 nan 8.290 nan 0.000 0.507 269 G N 0.791 109.532 108.800 -0.099 0.000 2.184 269 G HA2 -0.189 2.734 3.960 -1.729 0.000 0.206 269 G HA3 -0.189 2.734 3.960 -1.729 0.000 0.206 269 G C 0.025 174.718 174.900 -0.346 0.000 0.995 269 G CA -0.482 44.325 45.100 -0.488 0.000 0.651 269 G HN 0.468 nan 8.290 nan 0.000 0.511 270 N N 1.816 120.402 118.700 -0.190 0.000 3.105 270 N HA 0.271 3.973 4.740 -1.729 0.000 0.256 270 N C -1.548 173.923 175.510 -0.066 0.000 1.174 270 N CA -0.845 52.156 53.050 -0.082 0.000 1.030 270 N CB 1.770 40.276 38.487 0.032 0.000 1.305 270 N HN 0.267 nan 8.380 nan 0.000 0.509 271 P HA -0.039 nan 4.420 nan 0.000 0.223 271 P C 0.126 177.488 177.300 0.102 0.000 1.151 271 P CA 1.040 63.904 63.100 -0.392 0.000 0.787 271 P CB 0.628 32.074 31.700 -0.424 0.000 0.788 272 D N -1.680 118.779 120.400 0.099 0.000 2.402 272 D HA 0.070 3.672 4.640 -1.729 0.000 0.216 272 D C 1.045 177.459 176.300 0.190 0.000 1.128 272 D CA -0.247 53.828 54.000 0.126 0.000 0.833 272 D CB -0.104 40.734 40.800 0.063 0.000 0.971 272 D HN 0.119 nan 8.370 nan 0.000 0.503 273 F N 0.647 120.678 119.950 0.134 0.000 2.220 273 F HA 0.083 3.572 4.527 -1.731 0.000 0.290 273 F C 0.094 176.007 175.800 0.189 0.000 1.080 273 F CA 0.301 58.398 58.000 0.161 0.000 1.318 273 F CB 0.116 39.248 39.000 0.219 0.000 1.063 273 F HN -0.211 nan 8.300 nan 0.000 0.498 274 Y N 1.293 121.471 120.300 -0.203 0.000 2.328 274 Y HA 0.580 4.098 4.550 -1.720 0.000 0.337 274 Y C -0.038 175.766 175.900 -0.160 0.000 0.966 274 Y CA -0.082 57.827 58.100 -0.318 0.000 1.136 274 Y CB 0.944 39.453 38.460 0.082 0.000 1.170 274 Y HN 0.365 nan 8.280 nan 0.000 0.470 275 G N 4.427 112.830 108.800 -0.662 0.000 2.341 275 G HA2 0.087 3.010 3.960 -1.729 0.000 0.293 275 G HA3 0.087 3.010 3.960 -1.729 0.000 0.293 275 G C -1.818 172.772 174.900 -0.516 0.000 1.298 275 G CA -1.330 43.455 45.100 -0.526 0.000 0.868 275 G HN 0.467 nan 8.290 nan 0.000 0.540 276 K N 0.294 120.419 120.400 -0.458 0.000 2.379 276 K HA 0.419 3.701 4.320 -1.729 0.000 0.284 276 K C 1.277 177.726 176.600 -0.252 0.000 1.044 276 K CA 1.230 57.304 56.287 -0.354 0.000 0.974 276 K CB 0.897 33.194 32.500 -0.338 0.000 0.962 276 K HN 1.890 nan 8.250 nan 0.000 0.474 277 G N 2.705 111.368 108.800 -0.228 0.000 2.205 277 G HA2 -0.298 2.625 3.960 -1.729 0.000 0.261 277 G HA3 -0.298 2.625 3.960 -1.729 0.000 0.261 277 G C 0.233 175.033 174.900 -0.167 0.000 0.980 277 G CA 0.224 45.222 45.100 -0.169 0.000 0.632 277 G HN 0.549 nan 8.290 nan 0.000 0.533 278 K N -0.351 119.917 120.400 -0.220 0.000 2.440 278 K HA 0.507 3.789 4.320 -1.729 0.000 0.252 278 K C 1.887 178.354 176.600 -0.223 0.000 1.044 278 K CA 0.111 56.284 56.287 -0.191 0.000 0.962 278 K CB 0.042 32.423 32.500 -0.199 0.000 1.269 278 K HN 0.025 nan 8.250 nan 0.000 0.505 279 T N 0.785 115.230 114.554 -0.182 0.000 2.684 279 T HA -0.129 3.184 4.350 -1.729 0.000 0.267 279 T C 0.534 175.063 174.700 -0.285 0.000 1.036 279 T CA 1.027 63.051 62.100 -0.127 0.000 1.148 279 T CB 0.002 68.932 68.868 0.103 0.000 0.863 279 T HN 0.159 nan 8.240 nan 0.000 0.436 280 L N 2.761 123.624 121.223 -0.600 0.000 2.262 280 L HA 0.359 3.661 4.340 -1.729 0.000 0.288 280 L C -0.860 175.541 176.870 -0.782 0.000 1.035 280 L CA -0.425 53.945 54.840 -0.784 0.000 0.820 280 L CB 0.844 42.224 42.059 -1.132 0.000 1.204 280 L HN 0.007 nan 8.230 nan 0.000 0.424 281 D N 3.058 123.098 120.400 -0.600 0.000 2.453 281 D HA 0.061 3.663 4.640 -1.729 0.000 0.223 281 D C 1.356 177.367 176.300 -0.483 0.000 1.183 281 D CA -0.033 53.688 54.000 -0.464 0.000 0.933 281 D CB 0.955 41.584 40.800 -0.285 0.000 1.038 281 D HN 0.664 nan 8.370 nan 0.000 0.513 282 T N -0.760 113.434 114.554 -0.601 0.000 3.155 282 T HA -0.136 3.176 4.350 -1.729 0.000 0.264 282 T C 1.626 176.188 174.700 -0.229 0.000 1.160 282 T CA 0.740 62.583 62.100 -0.428 0.000 1.075 282 T CB -0.088 68.441 68.868 -0.565 0.000 0.921 282 T HN 0.213 nan 8.240 nan 0.000 0.533 283 S N 0.328 115.886 115.700 -0.236 0.000 2.593 283 S HA 0.202 3.635 4.470 -1.729 0.000 0.217 283 S C 0.694 175.226 174.600 -0.113 0.000 0.966 283 S CA -0.818 57.279 58.200 -0.171 0.000 0.914 283 S CB -0.126 62.970 63.200 -0.174 0.000 0.776 283 S HN 0.586 nan 8.310 nan 0.000 0.523 284 R N 0.679 121.126 120.500 -0.089 0.000 2.854 284 R HA 0.465 3.768 4.340 -1.729 0.000 0.271 284 R C -0.822 175.507 176.300 0.048 0.000 0.996 284 R CA -0.976 55.099 56.100 -0.043 0.000 0.961 284 R CB 1.164 31.429 30.300 -0.058 0.000 1.182 284 R HN 0.139 nan 8.270 nan 0.000 0.479 285 K N 2.031 122.424 120.400 -0.012 0.000 2.355 285 K HA 0.154 3.437 4.320 -1.729 0.000 0.270 285 K C -1.022 175.588 176.600 0.016 0.000 1.003 285 K CA 0.222 56.461 56.287 -0.080 0.000 0.957 285 K CB 0.383 32.816 32.500 -0.111 0.000 0.939 285 K HN 0.480 nan 8.250 nan 0.000 0.482 286 F N -1.396 118.443 119.950 -0.185 0.000 2.745 286 F HA 0.391 3.880 4.527 -1.731 0.000 0.316 286 F C -0.984 174.660 175.800 -0.259 0.000 1.155 286 F CA -1.182 56.681 58.000 -0.228 0.000 0.937 286 F CB 1.287 40.101 39.000 -0.310 0.000 1.361 286 F HN 0.199 nan 8.300 nan 0.000 0.472 287 T N 1.692 116.183 114.554 -0.105 0.000 2.829 287 T HA 0.640 3.953 4.350 -1.729 0.000 0.282 287 T C -0.872 173.660 174.700 -0.280 0.000 0.990 287 T CA -0.545 61.368 62.100 -0.312 0.000 1.028 287 T CB 1.626 70.248 68.868 -0.410 0.000 0.951 287 T HN 0.542 nan 8.240 nan 0.000 0.460 288 V N 3.889 123.384 119.914 -0.698 0.000 2.448 288 V HA 0.518 3.600 4.120 -1.729 0.000 0.295 288 V C -0.338 175.271 176.094 -0.809 0.000 1.025 288 V CA -0.760 61.078 62.300 -0.770 0.000 0.859 288 V CB 1.733 32.825 31.823 -1.219 0.000 0.988 288 V HN 0.686 nan 8.190 nan 0.000 0.431 289 V N 3.656 123.075 119.914 -0.825 0.000 2.409 289 V HA 0.632 3.714 4.120 -1.729 0.000 0.291 289 V C -0.092 175.615 176.094 -0.644 0.000 1.020 289 V CA -0.217 61.630 62.300 -0.755 0.000 0.848 289 V CB 1.797 32.915 31.823 -1.175 0.000 0.990 289 V HN 0.913 nan 8.190 nan 0.000 0.430 290 S N 4.985 120.438 115.700 -0.412 0.000 2.538 290 S HA 0.738 4.171 4.470 -1.729 0.000 0.288 290 S C -0.610 173.643 174.600 -0.578 0.000 1.108 290 S CA -0.960 56.975 58.200 -0.441 0.000 0.971 290 S CB 1.999 64.940 63.200 -0.430 0.000 1.041 290 S HN 0.709 nan 8.310 nan 0.000 0.483 291 R N 1.165 121.301 120.500 -0.607 0.000 2.686 291 R HA 0.574 3.876 4.340 -1.729 0.000 0.286 291 R C -1.650 174.254 176.300 -0.660 0.000 0.969 291 R CA -0.601 55.152 56.100 -0.579 0.000 0.898 291 R CB 1.496 31.708 30.300 -0.147 0.000 1.183 291 R HN 0.558 nan 8.270 nan 0.000 0.456 292 F N 1.242 121.330 119.950 0.229 0.000 2.445 292 F HA 0.428 3.914 4.527 -1.735 0.000 0.348 292 F C -0.061 175.847 175.800 0.180 0.000 1.125 292 F CA -0.753 57.388 58.000 0.236 0.000 0.983 292 F CB 1.602 40.747 39.000 0.242 0.000 1.198 292 F HN 0.295 nan 8.300 nan 0.000 0.436 293 E N 0.793 121.172 120.200 0.299 0.000 2.367 293 E HA 0.249 3.561 4.350 -1.729 0.000 0.273 293 E C -1.262 175.476 176.600 0.229 0.000 0.903 293 E CA -1.319 55.211 56.400 0.217 0.000 0.764 293 E CB 2.440 32.224 29.700 0.139 0.000 1.252 293 E HN 0.579 nan 8.360 nan 0.000 0.446 294 E N 2.164 122.474 120.200 0.184 0.000 2.558 294 E HA -0.125 3.188 4.350 -1.729 0.000 0.255 294 E C -0.301 176.370 176.600 0.118 0.000 0.968 294 E CA 0.341 56.852 56.400 0.185 0.000 0.939 294 E CB 0.060 29.837 29.700 0.128 0.000 0.921 294 E HN 0.487 nan 8.360 nan 0.000 0.477 295 N N 2.264 121.039 118.700 0.124 0.000 2.708 295 N HA -0.265 3.437 4.740 -1.729 0.000 0.251 295 N C -0.988 174.314 175.510 -0.347 0.000 1.123 295 N CA 1.779 54.588 53.050 -0.401 0.000 0.739 295 N CB -1.098 37.217 38.487 -0.287 0.000 1.113 295 N HN 0.629 nan 8.380 nan 0.000 0.561 296 K N -0.316 120.118 120.400 0.056 0.000 2.587 296 K HA 0.458 3.740 4.320 -1.729 0.000 0.256 296 K C -1.948 174.784 176.600 0.221 0.000 0.974 296 K CA -0.696 55.641 56.287 0.084 0.000 0.855 296 K CB 0.910 33.418 32.500 0.013 0.000 1.292 296 K HN -0.069 nan 8.250 nan 0.000 0.444 297 L N 3.252 124.612 121.223 0.229 0.000 2.313 297 L HA 0.640 3.943 4.340 -1.729 0.000 0.283 297 L C -0.838 176.136 176.870 0.173 0.000 1.013 297 L CA 0.148 55.104 54.840 0.194 0.000 0.816 297 L CB 1.882 43.961 42.059 0.033 0.000 1.236 297 L HN 0.910 nan 8.230 nan 0.000 0.419 298 S N 2.703 118.536 115.700 0.221 0.000 2.595 298 S HA 0.855 4.287 4.470 -1.729 0.000 0.281 298 S C -0.995 173.708 174.600 0.173 0.000 1.117 298 S CA -0.879 57.432 58.200 0.185 0.000 0.873 298 S CB 2.329 65.579 63.200 0.082 0.000 1.108 298 S HN 0.523 nan 8.310 nan 0.000 0.477 299 Q N 0.404 120.255 119.800 0.086 0.000 2.315 299 Q HA 0.644 3.946 4.340 -1.729 0.000 0.273 299 Q C -2.118 173.781 176.000 -0.168 0.000 1.053 299 Q CA -0.805 54.919 55.803 -0.132 0.000 0.817 299 Q CB 1.861 30.519 28.738 -0.133 0.000 1.326 299 Q HN 0.887 nan 8.270 nan 0.000 0.423 300 Y N 0.255 120.312 120.300 -0.405 0.000 2.655 300 Y HA 0.794 4.306 4.550 -1.731 0.000 0.336 300 Y C -1.914 173.640 175.900 -0.578 0.000 1.154 300 Y CA -1.311 56.531 58.100 -0.430 0.000 1.055 300 Y CB 1.202 39.525 38.460 -0.229 0.000 1.295 300 Y HN 0.442 nan 8.280 nan 0.000 0.465 301 F N 1.047 121.036 119.950 0.065 0.000 2.593 301 F HA 0.757 4.246 4.527 -1.731 0.000 0.320 301 F C -0.707 175.035 175.800 -0.096 0.000 1.060 301 F CA -1.113 56.820 58.000 -0.112 0.000 0.940 301 F CB 2.222 41.162 39.000 -0.101 0.000 1.268 301 F HN 0.302 nan 8.300 nan 0.000 0.475 302 I N 1.590 122.165 120.570 0.009 0.000 2.466 302 I HA 0.385 3.518 4.170 -1.729 0.000 0.289 302 I C -1.025 175.051 176.117 -0.069 0.000 1.026 302 I CA -0.468 60.746 61.300 -0.143 0.000 1.078 302 I CB 2.091 39.889 38.000 -0.338 0.000 1.249 302 I HN 0.551 nan 8.210 nan 0.000 0.429 303 Q N 5.061 124.822 119.800 -0.064 0.000 2.331 303 Q HA 0.251 3.553 4.340 -1.729 0.000 0.272 303 Q C -1.166 174.807 176.000 -0.045 0.000 1.062 303 Q CA -0.594 55.183 55.803 -0.044 0.000 0.806 303 Q CB 1.719 30.405 28.738 -0.086 0.000 1.312 303 Q HN 0.610 nan 8.270 nan 0.000 0.431 304 D N 3.025 123.408 120.400 -0.029 0.000 2.692 304 D HA -0.212 3.390 4.640 -1.729 0.000 0.233 304 D C 0.508 176.806 176.300 -0.003 0.000 1.172 304 D CA 1.810 55.800 54.000 -0.016 0.000 0.636 304 D CB -1.320 39.466 40.800 -0.023 0.000 1.028 304 D HN 1.087 nan 8.370 nan 0.000 0.419 305 G N -0.085 108.715 108.800 0.001 0.000 2.198 305 G HA2 -0.373 2.550 3.960 -1.729 0.000 0.260 305 G HA3 -0.373 2.550 3.960 -1.729 0.000 0.260 305 G C 0.179 175.105 174.900 0.043 0.000 1.025 305 G CA 0.450 45.573 45.100 0.038 0.000 0.769 305 G HN 0.551 nan 8.290 nan 0.000 0.507 306 R N -0.191 120.294 120.500 -0.026 0.000 2.439 306 R HA 0.394 3.697 4.340 -1.729 0.000 0.310 306 R C 0.397 176.604 176.300 -0.156 0.000 0.955 306 R CA -0.870 55.207 56.100 -0.039 0.000 0.853 306 R CB 1.457 31.747 30.300 -0.017 0.000 1.171 306 R HN 0.249 nan 8.270 nan 0.000 0.449 307 K N 3.762 123.986 120.400 -0.293 0.000 2.436 307 K HA 0.145 3.427 4.320 -1.729 0.000 0.275 307 K C -0.683 175.846 176.600 -0.119 0.000 0.999 307 K CA 0.360 56.395 56.287 -0.421 0.000 0.980 307 K CB 0.521 32.619 32.500 -0.670 0.000 0.919 307 K HN 0.516 nan 8.250 nan 0.000 0.484 308 I N 3.993 124.563 120.570 0.001 0.000 2.478 308 I HA 0.161 3.294 4.170 -1.729 0.000 0.287 308 I C -0.370 175.879 176.117 0.220 0.000 1.042 308 I CA -0.646 60.742 61.300 0.147 0.000 1.067 308 I CB 1.999 40.131 38.000 0.220 0.000 1.233 308 I HN 0.649 nan 8.210 nan 0.000 0.431 309 E N 5.978 126.262 120.200 0.139 0.000 2.283 309 E HA 0.488 3.801 4.350 -1.729 0.000 0.271 309 E C -0.703 175.913 176.600 0.026 0.000 1.031 309 E CA -0.793 55.646 56.400 0.064 0.000 0.868 309 E CB 2.234 31.925 29.700 -0.016 0.000 1.094 309 E HN 0.426 nan 8.360 nan 0.000 0.401 310 I N 4.257 124.798 120.570 -0.048 0.000 2.352 310 I HA 0.148 3.281 4.170 -1.729 0.000 0.290 310 I C -1.871 174.087 176.117 -0.266 0.000 1.036 310 I CA -1.941 59.240 61.300 -0.199 0.000 1.336 310 I CB 0.496 38.529 38.000 0.056 0.000 1.407 310 I HN 0.201 nan 8.210 nan 0.000 0.497 311 P HA 0.234 nan 4.420 nan 0.000 0.274 311 P C -2.623 174.657 177.300 -0.032 0.000 1.237 311 P CA -1.436 61.532 63.100 -0.220 0.000 0.793 311 P CB 0.032 31.572 31.700 -0.267 0.000 0.977 312 P HA 0.322 nan 4.420 nan 0.000 0.276 312 P C -2.626 174.734 177.300 0.099 0.000 1.261 312 P CA -2.012 61.131 63.100 0.072 0.000 0.800 312 P CB -1.063 30.642 31.700 0.009 0.000 1.066 313 P HA 0.095 nan 4.420 nan 0.000 0.272 313 P C 0.799 178.052 177.300 -0.078 0.000 1.223 313 P CA 0.276 63.406 63.100 0.051 0.000 0.784 313 P CB -0.054 31.721 31.700 0.125 0.000 0.923 314 T N -3.363 111.019 114.554 -0.287 0.000 3.069 314 T HA 0.130 3.443 4.350 -1.729 0.000 0.252 314 T C -0.082 174.425 174.700 -0.321 0.000 1.053 314 T CA -0.360 61.543 62.100 -0.329 0.000 0.964 314 T CB -0.574 68.031 68.868 -0.438 0.000 1.005 314 T HN 0.266 nan 8.240 nan 0.000 0.532 315 W N 2.906 124.200 121.300 -0.011 0.000 2.356 315 W HA 0.536 4.170 4.660 -1.710 0.000 0.311 315 W C 0.575 177.077 176.519 -0.029 0.000 1.328 315 W CA -1.055 56.284 57.345 -0.010 0.000 1.251 315 W CB 0.297 29.756 29.460 -0.002 0.000 1.280 315 W HN 0.016 nan 8.180 nan 0.000 0.524 316 E N 1.789 122.107 120.200 0.196 0.000 2.414 316 E HA 0.275 3.588 4.350 -1.729 0.000 0.263 316 E C 1.158 177.808 176.600 0.084 0.000 1.000 316 E CA 1.619 58.079 56.400 0.100 0.000 0.914 316 E CB 0.612 30.358 29.700 0.078 0.000 0.948 316 E HN 0.658 nan 8.360 nan 0.000 0.444 317 G N 3.455 112.282 108.800 0.045 0.000 2.218 317 G HA2 -0.230 2.693 3.960 -1.729 0.000 0.216 317 G HA3 -0.230 2.693 3.960 -1.729 0.000 0.216 317 G C 0.240 175.141 174.900 0.003 0.000 0.994 317 G CA 0.158 45.271 45.100 0.020 0.000 0.637 317 G HN 0.450 nan 8.290 nan 0.000 0.505 318 M N 1.473 121.082 119.600 0.014 0.000 2.342 318 M HA 0.426 3.869 4.480 -1.729 0.000 0.332 318 M C -2.208 174.099 176.300 0.011 0.000 1.166 318 M CA -1.672 53.627 55.300 -0.001 0.000 1.086 318 M CB 0.634 33.243 32.600 0.015 0.000 1.541 318 M HN -0.077 nan 8.290 nan 0.000 0.462 319 P HA 0.014 nan 4.420 nan 0.000 0.268 319 P C -0.488 176.823 177.300 0.018 0.000 1.205 319 P CA -0.048 63.056 63.100 0.006 0.000 0.771 319 P CB 0.219 31.918 31.700 -0.001 0.000 0.858 320 N N 1.313 120.017 118.700 0.006 0.000 3.105 320 N HA 0.034 3.736 4.740 -1.729 0.000 0.309 320 N C -0.724 174.783 175.510 -0.005 0.000 1.291 320 N CA 0.153 53.205 53.050 0.002 0.000 1.153 320 N CB -0.172 38.311 38.487 -0.007 0.000 1.447 320 N HN 0.240 nan 8.380 nan 0.000 0.555 321 S N -0.845 114.857 115.700 0.004 0.000 2.537 321 S HA 0.148 3.580 4.470 -1.729 0.000 0.271 321 S C 0.473 175.048 174.600 -0.042 0.000 1.148 321 S CA -0.659 57.525 58.200 -0.027 0.000 0.868 321 S CB 1.219 64.396 63.200 -0.038 0.000 1.115 321 S HN 0.300 nan 8.310 nan 0.000 0.461 322 S N 1.906 117.501 115.700 -0.175 0.000 2.575 322 S HA 0.291 3.724 4.470 -1.729 0.000 0.215 322 S C 0.258 174.491 174.600 -0.611 0.000 0.966 322 S CA -0.261 57.579 58.200 -0.601 0.000 0.911 322 S CB -0.323 62.519 63.200 -0.596 0.000 0.780 322 S HN 0.723 nan 8.310 nan 0.000 0.514 323 E N 1.136 121.194 120.200 -0.237 0.000 2.390 323 E HA 0.279 3.591 4.350 -1.729 0.000 0.261 323 E C -0.549 176.012 176.600 -0.065 0.000 1.076 323 E CA -0.185 56.143 56.400 -0.121 0.000 0.905 323 E CB 0.681 30.349 29.700 -0.054 0.000 0.984 323 E HN 0.439 nan 8.360 nan 0.000 0.427 324 I N 2.987 123.556 120.570 -0.003 0.000 2.287 324 I HA 0.128 3.261 4.170 -1.729 0.000 0.290 324 I C 0.316 176.565 176.117 0.219 0.000 1.069 324 I CA -0.275 61.076 61.300 0.086 0.000 1.237 324 I CB 0.016 38.006 38.000 -0.018 0.000 1.418 324 I HN 0.438 nan 8.210 nan 0.000 0.481 325 T N 2.271 116.876 114.554 0.085 0.000 2.907 325 T HA 0.469 3.782 4.350 -1.729 0.000 0.290 325 T C -2.238 172.327 174.700 -0.225 0.000 1.066 325 T CA -2.043 59.899 62.100 -0.262 0.000 1.012 325 T CB 2.172 70.925 68.868 -0.191 0.000 1.184 325 T HN 0.043 nan 8.240 nan 0.000 0.522 326 P HA -0.124 nan 4.420 nan 0.000 0.216 326 P C 1.141 178.465 177.300 0.041 0.000 1.157 326 P CA 1.392 64.463 63.100 -0.050 0.000 0.880 326 P CB 0.054 31.691 31.700 -0.104 0.000 0.791 327 E N -0.662 119.523 120.200 -0.025 0.000 2.051 327 E HA -0.131 3.182 4.350 -1.729 0.000 0.192 327 E C 2.059 178.655 176.600 -0.008 0.000 0.991 327 E CA 0.674 57.068 56.400 -0.009 0.000 0.799 327 E CB -1.178 28.506 29.700 -0.027 0.000 0.748 327 E HN 0.091 nan 8.360 nan 0.000 0.449 328 L N 0.589 121.805 121.223 -0.011 0.000 1.990 328 L HA -0.265 3.037 4.340 -1.729 0.000 0.213 328 L C 1.974 178.798 176.870 -0.078 0.000 1.072 328 L CA 1.907 56.734 54.840 -0.022 0.000 0.755 328 L CB -0.525 41.550 42.059 0.027 0.000 0.889 328 L HN 0.362 nan 8.230 nan 0.000 0.432 329 c N -0.837 117.744 118.600 -0.032 0.000 2.440 329 c HA -0.078 3.455 4.570 -1.729 0.000 0.278 329 c C 2.971 177.119 174.090 0.095 0.000 1.295 329 c CA 0.895 57.180 56.329 -0.074 0.000 1.738 329 c CB -0.764 41.615 42.510 -0.217 0.000 1.987 329 c HN 0.594 nan 8.230 nan 0.000 0.492 330 S N 1.406 117.178 115.700 0.120 0.000 2.345 330 S HA -0.170 3.263 4.470 -1.729 0.000 0.220 330 S C 2.061 176.697 174.600 0.061 0.000 1.031 330 S CA 2.081 60.371 58.200 0.149 0.000 0.996 330 S CB -0.889 62.377 63.200 0.111 0.000 0.882 330 S HN 0.870 nan 8.310 nan 0.000 0.445 331 T N 0.856 115.394 114.554 -0.027 0.000 2.929 331 T HA -0.042 3.270 4.350 -1.729 0.000 0.271 331 T C 1.643 176.205 174.700 -0.230 0.000 1.085 331 T CA 0.809 62.855 62.100 -0.090 0.000 1.125 331 T CB -0.491 68.324 68.868 -0.088 0.000 0.874 331 T HN 0.130 nan 8.240 nan 0.000 0.494 332 M N 1.154 120.539 119.600 -0.358 0.000 3.138 332 M HA -0.095 3.348 4.480 -1.729 0.000 0.280 332 M C 0.963 176.844 176.300 -0.699 0.000 1.053 332 M CA 1.932 56.776 55.300 -0.761 0.000 1.065 332 M CB -0.724 31.230 32.600 -1.077 0.000 1.207 332 M HN 0.366 nan 8.290 nan 0.000 0.551 333 F N 0.307 120.166 119.950 -0.153 0.000 2.818 333 F HA 0.046 4.560 4.527 -0.021 0.000 0.303 333 F C 0.613 176.384 175.800 -0.047 0.000 1.250 333 F CA 0.059 58.031 58.000 -0.047 0.000 1.409 333 F CB -0.816 38.187 39.000 0.005 0.000 1.183 333 F HN 0.255 nan 8.300 nan 0.000 0.534 334 D N -1.391 119.009 120.400 0.001 0.000 2.760 334 D HA 0.026 3.628 4.640 -1.729 0.000 0.285 334 D C 2.071 178.339 176.300 -0.054 0.000 1.178 334 D CA 0.306 54.298 54.000 -0.013 0.000 1.031 334 D CB 0.091 40.875 40.800 -0.026 0.000 1.544 334 D HN -0.007 nan 8.370 nan 0.000 0.468 335 V N 1.036 120.852 119.914 -0.163 0.000 2.379 335 V HA -0.009 3.074 4.120 -1.729 0.000 0.245 335 V C 0.251 176.328 176.094 -0.028 0.000 1.044 335 V CA 0.990 63.194 62.300 -0.160 0.000 1.036 335 V CB -0.332 31.309 31.823 -0.302 0.000 0.664 335 V HN 0.054 nan 8.190 nan 0.000 0.453 336 F N 1.144 120.947 119.950 -0.245 0.000 2.420 336 F HA 0.385 3.824 4.527 -1.814 0.000 0.352 336 F C 0.883 176.628 175.800 -0.091 0.000 1.108 336 F CA -1.717 56.151 58.000 -0.221 0.000 1.162 336 F CB -0.470 38.383 39.000 -0.245 0.000 1.118 336 F HN -0.009 nan 8.300 nan 0.000 0.510 337 N N 2.973 121.738 118.700 0.108 0.000 3.243 337 N HA -0.032 3.671 4.740 -1.729 0.000 0.310 337 N C -0.699 174.865 175.510 0.090 0.000 1.313 337 N CA 0.229 53.321 53.050 0.069 0.000 1.204 337 N CB -0.450 38.049 38.487 0.019 0.000 1.483 337 N HN 0.488 nan 8.380 nan 0.000 0.553 338 D N 0.245 120.751 120.400 0.177 0.000 2.185 338 D HA 0.121 3.724 4.640 -1.729 0.000 0.247 338 D C 0.108 176.526 176.300 0.198 0.000 1.027 338 D CA -0.523 53.617 54.000 0.233 0.000 0.861 338 D CB 1.859 42.896 40.800 0.394 0.000 1.202 338 D HN 0.198 nan 8.370 nan 0.000 0.453 339 R N 2.311 122.860 120.500 0.081 0.000 2.449 339 R HA -0.007 3.296 4.340 -1.729 0.000 0.296 339 R C 0.223 176.453 176.300 -0.116 0.000 1.047 339 R CA -0.003 56.034 56.100 -0.105 0.000 1.018 339 R CB 0.071 30.114 30.300 -0.429 0.000 0.962 339 R HN 0.393 nan 8.270 nan 0.000 0.428 340 N N 3.362 121.935 118.700 -0.212 0.000 3.103 340 N HA -0.056 3.646 4.740 -1.729 0.000 0.305 340 N C 0.837 176.118 175.510 -0.382 0.000 1.232 340 N CA -0.353 52.392 53.050 -0.509 0.000 1.190 340 N CB 0.301 38.614 38.487 -0.290 0.000 1.461 340 N HN 0.475 nan 8.380 nan 0.000 0.538 341 R N 1.547 121.875 120.500 -0.286 0.000 2.115 341 R HA -0.082 3.220 4.340 -1.729 0.000 0.226 341 R C 1.396 177.647 176.300 -0.082 0.000 1.100 341 R CA 1.291 57.353 56.100 -0.064 0.000 0.980 341 R CB -0.645 29.778 30.300 0.204 0.000 0.875 341 R HN 0.526 nan 8.270 nan 0.000 0.445 342 F N 1.323 121.067 119.950 -0.344 0.000 2.091 342 F HA -0.217 3.333 4.527 -1.628 0.000 0.299 342 F C 2.086 177.792 175.800 -0.156 0.000 1.103 342 F CA 2.161 60.029 58.000 -0.220 0.000 1.228 342 F CB -0.143 38.731 39.000 -0.209 0.000 0.984 342 F HN 0.167 nan 8.300 nan 0.000 0.477 343 E N -0.080 120.122 120.200 0.004 0.000 2.208 343 E HA -0.192 3.120 4.350 -1.729 0.000 0.193 343 E C 2.094 178.648 176.600 -0.076 0.000 0.988 343 E CA 0.931 57.326 56.400 -0.007 0.000 0.828 343 E CB -0.083 29.640 29.700 0.038 0.000 0.763 343 E HN 0.596 nan 8.360 nan 0.000 0.478 344 E N -0.011 120.136 120.200 -0.090 0.000 2.049 344 E HA -0.189 3.123 4.350 -1.729 0.000 0.198 344 E C 1.903 178.459 176.600 -0.074 0.000 1.007 344 E CA 1.725 58.083 56.400 -0.070 0.000 0.809 344 E CB -0.035 29.633 29.700 -0.053 0.000 0.749 344 E HN 0.191 nan 8.360 nan 0.000 0.450 345 V N -2.573 117.280 119.914 -0.103 0.000 3.544 345 V HA 0.359 3.441 4.120 -1.729 0.000 0.304 345 V C 0.931 176.943 176.094 -0.138 0.000 1.256 345 V CA 0.707 62.944 62.300 -0.106 0.000 1.232 345 V CB -0.253 31.507 31.823 -0.104 0.000 1.065 345 V HN 0.375 nan 8.190 nan 0.000 0.423 346 G N -1.961 106.756 108.800 -0.137 0.000 2.260 346 G HA2 0.298 3.220 3.960 -1.729 0.000 0.179 346 G HA3 0.298 3.220 3.960 -1.729 0.000 0.179 346 G C 1.119 175.935 174.900 -0.141 0.000 1.002 346 G CA 0.069 45.097 45.100 -0.120 0.000 0.677 346 G HN 2.228 nan 8.290 nan 0.000 0.486 347 G N -1.100 107.546 108.800 -0.257 0.000 2.660 347 G HA2 0.071 2.994 3.960 -1.729 0.000 0.215 347 G HA3 0.071 2.994 3.960 -1.729 0.000 0.215 347 G C 0.431 175.185 174.900 -0.244 0.000 1.345 347 G CA 0.101 45.109 45.100 -0.153 0.000 0.877 347 G HN 1.177 nan 8.290 nan 0.000 0.549 348 F N 0.518 120.536 119.950 0.114 0.000 2.365 348 F HA 0.068 3.548 4.527 -1.744 0.000 0.300 348 F C 2.606 178.440 175.800 0.056 0.000 1.090 348 F CA 1.925 60.047 58.000 0.203 0.000 1.408 348 F CB 0.230 39.409 39.000 0.297 0.000 1.060 348 F HN 0.474 nan 8.300 nan 0.000 0.534 349 E N 0.130 120.464 120.200 0.222 0.000 2.150 349 E HA -0.243 3.069 4.350 -1.729 0.000 0.193 349 E C 1.985 178.609 176.600 0.040 0.000 0.985 349 E CA 0.827 57.314 56.400 0.145 0.000 0.814 349 E CB -0.155 29.601 29.700 0.094 0.000 0.752 349 E HN 0.431 nan 8.360 nan 0.000 0.466 350 Q N 0.143 119.903 119.800 -0.067 0.000 2.230 350 Q HA -0.078 3.224 4.340 -1.729 0.000 0.202 350 Q C 2.006 177.934 176.000 -0.120 0.000 0.963 350 Q CA 0.570 56.307 55.803 -0.109 0.000 0.866 350 Q CB -0.195 28.434 28.738 -0.180 0.000 0.931 350 Q HN 0.209 nan 8.270 nan 0.000 0.452 351 L N 0.166 121.276 121.223 -0.188 0.000 2.027 351 L HA -0.081 3.221 4.340 -1.729 0.000 0.206 351 L C 1.351 178.206 176.870 -0.023 0.000 1.074 351 L CA 1.928 56.664 54.840 -0.175 0.000 0.745 351 L CB -0.854 40.953 42.059 -0.420 0.000 0.898 351 L HN 0.290 nan 8.230 nan 0.000 0.433 352 N N -0.101 118.645 118.700 0.077 0.000 2.049 352 N HA -0.292 3.411 4.740 -1.729 0.000 0.198 352 N C 1.490 177.048 175.510 0.079 0.000 1.030 352 N CA 2.102 55.240 53.050 0.147 0.000 0.870 352 N CB -0.372 38.232 38.487 0.194 0.000 1.045 352 N HN 0.558 nan 8.380 nan 0.000 0.434 353 N N 0.419 119.145 118.700 0.043 0.000 2.120 353 N HA -0.094 3.609 4.740 -1.729 0.000 0.188 353 N C 1.853 177.372 175.510 0.015 0.000 1.024 353 N CA 0.907 53.972 53.050 0.025 0.000 0.852 353 N CB -0.118 38.373 38.487 0.007 0.000 1.003 353 N HN 0.241 nan 8.380 nan 0.000 0.424 354 A N 1.368 124.190 122.820 0.003 0.000 1.908 354 A HA -0.108 3.175 4.320 -1.729 0.000 0.218 354 A C 2.055 179.641 177.584 0.003 0.000 1.181 354 A CA 1.104 53.142 52.037 0.002 0.000 0.627 354 A CB -0.761 18.238 19.000 -0.003 0.000 0.818 354 A HN 0.215 nan 8.150 nan 0.000 0.445 355 L N -1.364 119.872 121.223 0.022 0.000 2.362 355 L HA -0.086 3.217 4.340 -1.729 0.000 0.219 355 L C 2.061 178.937 176.870 0.010 0.000 1.134 355 L CA 0.796 55.647 54.840 0.019 0.000 0.807 355 L CB -0.343 41.777 42.059 0.101 0.000 0.927 355 L HN 0.345 nan 8.230 nan 0.000 0.447 356 R N -0.406 120.107 120.500 0.022 0.000 2.426 356 R HA 0.165 3.467 4.340 -1.729 0.000 0.263 356 R C -0.380 175.920 176.300 0.000 0.000 0.961 356 R CA -0.162 55.951 56.100 0.021 0.000 1.086 356 R CB 0.392 30.713 30.300 0.035 0.000 1.186 356 R HN 0.051 nan 8.270 nan 0.000 0.537 357 V N 2.573 122.477 119.914 -0.017 0.000 2.333 357 V HA 0.246 3.329 4.120 -1.729 0.000 0.274 357 V C -2.184 173.879 176.094 -0.052 0.000 1.028 357 V CA -2.544 59.742 62.300 -0.023 0.000 0.851 357 V CB 1.233 33.050 31.823 -0.010 0.000 1.000 357 V HN -0.038 nan 8.190 nan 0.000 0.456 358 P HA 0.108 nan 4.420 nan 0.000 0.264 358 P C -0.300 176.951 177.300 -0.081 0.000 1.183 358 P CA 0.487 63.542 63.100 -0.075 0.000 0.763 358 P CB 0.329 31.996 31.700 -0.055 0.000 0.807 359 M N 1.705 121.228 119.600 -0.128 0.000 2.724 359 M HA 0.421 3.863 4.480 -1.729 0.000 0.310 359 M C -0.522 175.833 176.300 0.092 0.000 1.217 359 M CA -1.014 54.245 55.300 -0.070 0.000 0.894 359 M CB 1.825 34.279 32.600 -0.244 0.000 1.719 359 M HN -0.047 nan 8.290 nan 0.000 0.479 360 V N 2.385 122.374 119.914 0.124 0.000 2.483 360 V HA 0.371 3.454 4.120 -1.729 0.000 0.295 360 V C -0.483 175.723 176.094 0.186 0.000 1.035 360 V CA -0.913 61.447 62.300 0.099 0.000 0.896 360 V CB 1.996 33.684 31.823 -0.225 0.000 0.986 360 V HN 0.614 nan 8.190 nan 0.000 0.447 361 L N 6.399 127.712 121.223 0.151 0.000 2.319 361 L HA 0.523 3.826 4.340 -1.729 0.000 0.280 361 L C -0.227 176.466 176.870 -0.295 0.000 1.099 361 L CA 0.330 55.039 54.840 -0.217 0.000 0.828 361 L CB 1.189 43.072 42.059 -0.293 0.000 1.150 361 L HN 0.443 nan 8.230 nan 0.000 0.442 362 V N 6.477 126.073 119.914 -0.531 0.000 2.581 362 V HA 0.559 3.642 4.120 -1.729 0.000 0.303 362 V C 0.050 175.717 176.094 -0.711 0.000 1.041 362 V CA -0.606 61.341 62.300 -0.588 0.000 0.907 362 V CB 1.772 33.036 31.823 -0.931 0.000 0.994 362 V HN 0.784 nan 8.190 nan 0.000 0.442 363 M N 4.033 123.294 119.600 -0.564 0.000 2.263 363 M HA 0.615 4.058 4.480 -1.729 0.000 0.295 363 M C -0.593 175.609 176.300 -0.164 0.000 1.028 363 M CA -0.110 54.829 55.300 -0.601 0.000 0.921 363 M CB 2.247 34.384 32.600 -0.772 0.000 1.601 363 M HN 0.897 nan 8.290 nan 0.000 0.440 364 S N 3.733 119.518 115.700 0.141 0.000 2.638 364 S HA 0.853 4.286 4.470 -1.729 0.000 0.274 364 S C -1.299 173.652 174.600 0.585 0.000 1.157 364 S CA -0.887 57.531 58.200 0.365 0.000 0.826 364 S CB 2.258 65.697 63.200 0.399 0.000 1.139 364 S HN 0.814 nan 8.310 nan 0.000 0.474 365 I N 1.827 122.718 120.570 0.534 0.000 2.692 365 I HA 0.680 3.812 4.170 -1.729 0.000 0.293 365 I C -2.034 174.485 176.117 0.671 0.000 1.200 365 I CA -0.519 61.083 61.300 0.503 0.000 1.036 365 I CB 1.795 39.999 38.000 0.341 0.000 1.258 365 I HN 1.011 nan 8.210 nan 0.000 0.421 366 W N 5.882 127.384 121.300 0.336 0.000 3.066 366 W HA 0.503 4.121 4.660 -1.737 0.000 0.330 366 W C -2.139 174.599 176.519 0.365 0.000 1.253 366 W CA -0.888 56.709 57.345 0.420 0.000 1.187 366 W CB 0.413 30.106 29.460 0.389 0.000 1.434 366 W HN 0.503 nan 8.180 nan 0.000 0.572 367 D N -0.212 120.546 120.400 0.596 0.000 2.414 367 D HA 0.373 3.976 4.640 -1.729 0.000 0.241 367 D C -1.301 175.246 176.300 0.411 0.000 1.008 367 D CA -0.492 53.668 54.000 0.266 0.000 1.001 367 D CB 1.712 42.709 40.800 0.329 0.000 1.277 367 D HN 0.149 nan 8.370 nan 0.000 0.538 368 D N -1.359 119.162 120.400 0.202 0.000 2.460 368 D HA 0.204 3.807 4.640 -1.729 0.000 0.232 368 D C -0.154 176.294 176.300 0.246 0.000 1.079 368 D CA -0.397 53.831 54.000 0.379 0.000 0.864 368 D CB 0.351 41.331 40.800 0.299 0.000 1.048 368 D HN 0.409 nan 8.370 nan 0.000 0.523 369 H N 1.979 121.236 119.070 0.313 0.000 2.529 369 H HA 0.033 3.551 4.556 -1.730 0.000 0.277 369 H C 0.705 176.037 175.328 0.007 0.000 0.999 369 H CA 1.119 57.247 56.048 0.132 0.000 1.256 369 H CB 0.401 30.205 29.762 0.070 0.000 1.402 369 H HN 0.457 nan 8.280 nan 0.000 0.566 370 Y N -0.699 119.733 120.300 0.220 0.000 2.177 370 Y HA 0.121 3.635 4.550 -1.727 0.000 0.291 370 Y C 2.148 178.127 175.900 0.132 0.000 1.117 370 Y CA 1.116 59.294 58.100 0.130 0.000 1.114 370 Y CB 0.315 38.800 38.460 0.041 0.000 1.017 370 Y HN 0.153 nan 8.280 nan 0.000 0.505 371 A N -1.178 121.825 122.820 0.306 0.000 2.603 371 A HA 0.247 3.529 4.320 -1.729 0.000 0.277 371 A C 0.419 178.067 177.584 0.106 0.000 1.158 371 A CA 0.112 52.272 52.037 0.206 0.000 0.962 371 A CB -0.616 18.457 19.000 0.121 0.000 1.189 371 A HN 0.559 nan 8.150 nan 0.000 0.552 372 N N -1.827 116.933 118.700 0.099 0.000 2.753 372 N HA -0.270 3.432 4.740 -1.729 0.000 0.251 372 N C 0.411 175.836 175.510 -0.141 0.000 1.097 372 N CA 0.603 53.646 53.050 -0.011 0.000 0.786 372 N CB -0.812 37.669 38.487 -0.010 0.000 1.137 372 N HN 0.535 nan 8.380 nan 0.000 0.566 373 M N -1.332 118.163 119.600 -0.174 0.000 2.818 373 M HA -0.225 3.217 4.480 -1.729 0.000 0.194 373 M C 0.584 176.397 176.300 -0.811 0.000 0.586 373 M CA 0.668 55.604 55.300 -0.607 0.000 0.664 373 M CB -1.165 31.075 32.600 -0.601 0.000 2.418 373 M HN 0.378 nan 8.290 nan 0.000 0.517 374 L N -0.786 120.135 121.223 -0.503 0.000 2.141 374 L HA -0.137 3.166 4.340 -1.729 0.000 0.209 374 L C 2.245 178.878 176.870 -0.396 0.000 1.094 374 L CA 1.821 56.445 54.840 -0.360 0.000 0.763 374 L CB -0.789 41.216 42.059 -0.090 0.000 0.908 374 L HN 0.812 nan 8.230 nan 0.000 0.437 375 W N -0.407 120.611 121.300 -0.470 0.000 2.465 375 W HA -0.143 3.472 4.660 -1.741 0.000 0.268 375 W C 1.813 178.239 176.519 -0.155 0.000 1.242 375 W CA 0.217 57.381 57.345 -0.303 0.000 1.248 375 W CB -0.600 28.639 29.460 -0.369 0.000 1.118 375 W HN 0.175 nan 8.180 nan 0.000 0.587 376 L N 2.526 123.118 121.223 -1.051 0.000 2.145 376 L HA -0.006 3.296 4.340 -1.729 0.000 0.201 376 L C 1.489 178.058 176.870 -0.502 0.000 1.075 376 L CA 2.689 56.993 54.840 -0.892 0.000 0.773 376 L CB -0.687 40.554 42.059 -1.364 0.000 0.936 376 L HN -0.010 nan 8.230 nan 0.000 0.451 377 D N -3.065 117.029 120.400 -0.511 0.000 2.525 377 D HA 0.198 3.800 4.640 -1.729 0.000 0.231 377 D C 0.758 176.849 176.300 -0.350 0.000 1.216 377 D CA 0.324 54.087 54.000 -0.395 0.000 0.813 377 D CB 0.223 40.795 40.800 -0.379 0.000 1.108 377 D HN 0.171 nan 8.370 nan 0.000 0.524 378 S N -0.852 114.683 115.700 -0.275 0.000 3.848 378 S HA 0.658 4.090 4.470 -1.729 0.000 0.266 378 S C -1.404 173.156 174.600 -0.067 0.000 1.050 378 S CA -0.692 57.401 58.200 -0.177 0.000 1.322 378 S CB 0.254 63.368 63.200 -0.144 0.000 1.264 378 S HN 0.002 nan 8.310 nan 0.000 0.751 379 I N 1.929 122.502 120.570 0.006 0.000 2.330 379 I HA 0.509 3.642 4.170 -1.729 0.000 0.289 379 I C -1.167 175.042 176.117 0.153 0.000 1.001 379 I CA -0.160 61.177 61.300 0.062 0.000 1.193 379 I CB 1.096 39.123 38.000 0.044 0.000 1.345 379 I HN 0.493 nan 8.210 nan 0.000 0.461 380 Y N 8.192 128.485 120.300 -0.012 0.000 2.504 380 Y HA 0.628 4.133 4.550 -1.742 0.000 0.344 380 Y C -2.705 173.196 175.900 0.002 0.000 1.023 380 Y CA -2.194 55.918 58.100 0.021 0.000 1.020 380 Y CB 2.589 41.097 38.460 0.079 0.000 1.282 380 Y HN 0.398 nan 8.280 nan 0.000 0.454 381 P HA 0.293 nan 4.420 nan 0.000 0.276 381 P C -2.579 174.578 177.300 -0.237 0.000 1.244 381 P CA -1.594 61.091 63.100 -0.692 0.000 0.801 381 P CB 1.499 32.811 31.700 -0.646 0.000 1.006 382 P HA -0.096 nan 4.420 nan 0.000 0.221 382 P C 1.290 178.563 177.300 -0.045 0.000 1.150 382 P CA 1.118 64.196 63.100 -0.037 0.000 0.800 382 P CB -0.052 31.653 31.700 0.008 0.000 0.787 383 E N 0.033 120.190 120.200 -0.071 0.000 2.245 383 E HA -0.261 3.052 4.350 -1.729 0.000 0.217 383 E C 1.677 178.256 176.600 -0.034 0.000 1.069 383 E CA 1.786 58.155 56.400 -0.052 0.000 0.877 383 E CB -0.293 29.367 29.700 -0.066 0.000 0.757 383 E HN 0.392 nan 8.360 nan 0.000 0.464 384 K N -0.909 119.469 120.400 -0.036 0.000 2.937 384 K HA -0.017 3.266 4.320 -1.729 0.000 0.194 384 K C -0.628 175.962 176.600 -0.017 0.000 1.589 384 K CA 0.725 56.998 56.287 -0.023 0.000 1.303 384 K CB 0.751 33.237 32.500 -0.023 0.000 1.864 384 K HN 0.112 nan 8.250 nan 0.000 0.608 385 E N -1.173 119.011 120.200 -0.025 0.000 8.964 385 E HA -0.217 3.096 4.350 -1.729 0.000 0.468 385 E C 0.333 176.931 176.600 -0.003 0.000 1.286 385 E CA 1.079 57.471 56.400 -0.013 0.000 2.235 385 E CB -1.489 28.214 29.700 0.004 0.000 1.018 385 E HN 0.653 nan 8.360 nan 0.000 0.273 386 G N 1.217 110.023 108.800 0.010 0.000 2.217 386 G HA2 -0.311 2.612 3.960 -1.729 0.000 0.246 386 G HA3 -0.311 2.612 3.960 -1.729 0.000 0.246 386 G C 0.106 175.016 174.900 0.016 0.000 0.990 386 G CA 0.704 45.819 45.100 0.025 0.000 0.627 386 G HN 0.640 nan 8.290 nan 0.000 0.522 387 Q N 0.793 120.574 119.800 -0.032 0.000 2.205 387 Q HA 0.567 3.869 4.340 -1.729 0.000 0.249 387 Q C -2.416 173.475 176.000 -0.183 0.000 0.948 387 Q CA -1.850 53.910 55.803 -0.072 0.000 0.895 387 Q CB 1.147 29.837 28.738 -0.079 0.000 1.249 387 Q HN 0.138 nan 8.270 nan 0.000 0.458 388 P HA 0.032 nan 4.420 nan 0.000 0.262 388 P C 0.270 177.068 177.300 -0.836 0.000 1.199 388 P CA 1.049 63.679 63.100 -0.784 0.000 0.763 388 P CB 0.441 31.632 31.700 -0.848 0.000 0.790 389 G N 2.771 110.930 108.800 -1.069 0.000 2.391 389 G HA2 -0.236 2.686 3.960 -1.729 0.000 0.204 389 G HA3 -0.236 2.686 3.960 -1.729 0.000 0.204 389 G C 1.184 175.722 174.900 -0.604 0.000 1.012 389 G CA 0.402 44.607 45.100 -1.491 0.000 0.651 389 G HN 0.610 nan 8.290 nan 0.000 0.494 390 A N 0.927 123.548 122.820 -0.333 0.000 1.858 390 A HA 0.580 3.863 4.320 -1.729 0.000 0.216 390 A C 1.854 179.427 177.584 -0.018 0.000 1.190 390 A CA 2.450 54.413 52.037 -0.123 0.000 0.617 390 A CB -0.736 18.212 19.000 -0.086 0.000 0.827 390 A HN 2.090 nan 8.150 nan 0.000 0.443 391 A N -0.913 121.930 122.820 0.038 0.000 2.362 391 A HA 0.592 3.875 4.320 -1.729 0.000 0.276 391 A C 0.788 178.508 177.584 0.228 0.000 1.153 391 A CA -0.308 51.830 52.037 0.169 0.000 0.813 391 A CB 0.230 19.400 19.000 0.284 0.000 1.081 391 A HN 0.471 nan 8.150 nan 0.000 0.507 392 R N 1.608 122.165 120.500 0.096 0.000 2.435 392 R HA 0.346 3.649 4.340 -1.729 0.000 0.221 392 R C 0.849 176.925 176.300 -0.373 0.000 0.885 392 R CA 0.703 56.804 56.100 0.001 0.000 1.018 392 R CB 1.144 31.410 30.300 -0.057 0.000 1.259 392 R HN 0.842 nan 8.270 nan 0.000 0.597 393 G N -0.820 107.568 108.800 -0.686 0.000 2.606 393 G HA2 0.165 3.088 3.960 -1.729 0.000 0.300 393 G HA3 0.165 3.088 3.960 -1.729 0.000 0.300 393 G C -1.237 173.205 174.900 -0.764 0.000 1.360 393 G CA -0.484 43.989 45.100 -1.045 0.000 0.783 393 G HN -0.096 nan 8.290 nan 0.000 0.484 394 D N -0.307 119.835 120.400 -0.430 0.000 2.388 394 D HA 0.200 3.803 4.640 -1.729 0.000 0.221 394 D C 0.376 176.592 176.300 -0.140 0.000 1.133 394 D CA 0.041 53.964 54.000 -0.128 0.000 0.831 394 D CB 0.130 40.961 40.800 0.052 0.000 0.962 394 D HN 0.260 nan 8.370 nan 0.000 0.502 395 c N 1.985 120.432 118.600 -0.255 0.000 2.536 395 c HA 0.264 3.796 4.570 -1.729 0.000 0.396 395 c C -1.846 172.133 174.090 -0.185 0.000 1.279 395 c CA -1.324 54.818 56.329 -0.312 0.000 2.148 395 c CB 0.682 42.937 42.510 -0.426 0.000 2.584 395 c HN 0.170 nan 8.230 nan 0.000 0.579 396 P HA 0.032 nan 4.420 nan 0.000 0.267 396 P C 0.899 178.151 177.300 -0.081 0.000 1.201 396 P CA 0.532 63.581 63.100 -0.085 0.000 0.775 396 P CB 0.374 32.032 31.700 -0.069 0.000 0.854 397 T N -2.923 111.606 114.554 -0.042 0.000 3.072 397 T HA -0.061 3.252 4.350 -1.729 0.000 0.266 397 T C 0.489 175.181 174.700 -0.013 0.000 1.127 397 T CA 1.016 63.106 62.100 -0.017 0.000 1.107 397 T CB -0.477 68.394 68.868 0.006 0.000 0.910 397 T HN 0.219 nan 8.240 nan 0.000 0.513 398 D N 1.722 122.107 120.400 -0.025 0.000 2.670 398 D HA 0.246 3.849 4.640 -1.729 0.000 0.255 398 D C 0.275 176.553 176.300 -0.036 0.000 1.286 398 D CA -0.224 53.764 54.000 -0.020 0.000 0.830 398 D CB 0.478 41.272 40.800 -0.011 0.000 1.065 398 D HN 0.555 nan 8.370 nan 0.000 0.486 399 S N -1.900 113.762 115.700 -0.064 0.000 2.693 399 S HA 0.600 4.032 4.470 -1.729 0.000 0.276 399 S C 1.402 175.950 174.600 -0.086 0.000 1.192 399 S CA 0.113 58.262 58.200 -0.085 0.000 0.994 399 S CB 1.830 64.940 63.200 -0.149 0.000 1.012 399 S HN 0.259 nan 8.310 nan 0.000 0.550 400 G N -0.873 107.876 108.800 -0.085 0.000 2.179 400 G HA2 -0.228 2.694 3.960 -1.729 0.000 0.260 400 G HA3 -0.228 2.694 3.960 -1.729 0.000 0.260 400 G C 0.033 174.903 174.900 -0.050 0.000 0.977 400 G CA -0.037 45.008 45.100 -0.092 0.000 0.641 400 G HN 1.167 nan 8.290 nan 0.000 0.533 401 V N 1.866 121.763 119.914 -0.029 0.000 2.485 401 V HA 0.138 3.221 4.120 -1.729 0.000 0.287 401 V C 0.103 176.184 176.094 -0.022 0.000 1.022 401 V CA -0.117 62.169 62.300 -0.023 0.000 1.067 401 V CB 1.157 32.975 31.823 -0.009 0.000 0.967 401 V HN 0.105 nan 8.190 nan 0.000 0.479 402 P HA -0.272 nan 4.420 nan 0.000 0.214 402 P C 1.615 178.914 177.300 -0.000 0.000 1.172 402 P CA 2.326 65.349 63.100 -0.128 0.000 0.925 402 P CB 0.114 31.487 31.700 -0.546 0.000 0.793 403 A N -0.642 122.187 122.820 0.016 0.000 1.940 403 A HA -0.274 3.008 4.320 -1.729 0.000 0.219 403 A C 2.108 179.702 177.584 0.017 0.000 1.176 403 A CA 2.024 54.080 52.037 0.032 0.000 0.631 403 A CB -1.227 17.794 19.000 0.036 0.000 0.814 403 A HN 0.260 nan 8.150 nan 0.000 0.446 404 E N -0.342 119.864 120.200 0.010 0.000 2.051 404 E HA -0.088 3.224 4.350 -1.729 0.000 0.189 404 E C 2.022 178.625 176.600 0.004 0.000 0.979 404 E CA 1.310 57.706 56.400 -0.008 0.000 0.803 404 E CB -0.285 29.405 29.700 -0.017 0.000 0.761 404 E HN 0.569 nan 8.360 nan 0.000 0.451 405 V N 0.071 120.027 119.914 0.069 0.000 2.626 405 V HA -0.178 2.904 4.120 -1.729 0.000 0.252 405 V C 1.735 178.001 176.094 0.286 0.000 1.067 405 V CA 1.589 63.993 62.300 0.172 0.000 1.081 405 V CB -0.605 31.356 31.823 0.229 0.000 0.686 405 V HN 0.105 nan 8.190 nan 0.000 0.468 406 E N 1.096 121.427 120.200 0.218 0.000 2.208 406 E HA 0.035 3.348 4.350 -1.729 0.000 0.193 406 E C 2.258 178.890 176.600 0.054 0.000 0.988 406 E CA 1.148 57.624 56.400 0.127 0.000 0.828 406 E CB -0.232 29.443 29.700 -0.042 0.000 0.763 406 E HN 0.691 nan 8.360 nan 0.000 0.478 407 A N 0.445 123.269 122.820 0.007 0.000 2.030 407 A HA -0.072 3.211 4.320 -1.729 0.000 0.215 407 A C 1.992 179.519 177.584 -0.096 0.000 1.164 407 A CA 0.515 52.530 52.037 -0.037 0.000 0.697 407 A CB 0.014 18.986 19.000 -0.046 0.000 0.827 407 A HN 0.099 nan 8.150 nan 0.000 0.457 408 Q N -1.297 118.395 119.800 -0.181 0.000 2.033 408 Q HA 0.036 3.338 4.340 -1.729 0.000 0.196 408 Q C -0.035 175.634 176.000 -0.551 0.000 0.970 408 Q CA 1.115 56.624 55.803 -0.490 0.000 0.828 408 Q CB 0.042 28.326 28.738 -0.757 0.000 0.895 408 Q HN 0.698 nan 8.270 nan 0.000 0.440 409 F N 0.048 120.062 119.950 0.107 0.000 2.908 409 F HA 0.267 3.757 4.527 -1.729 0.000 0.328 409 F C -1.683 174.245 175.800 0.213 0.000 1.211 409 F CA -1.556 56.519 58.000 0.124 0.000 1.291 409 F CB 0.932 39.981 39.000 0.082 0.000 0.962 409 F HN 0.124 nan 8.300 nan 0.000 0.505 410 P HA -0.184 nan 4.420 nan 0.000 0.222 410 P C 0.202 177.648 177.300 0.243 0.000 1.142 410 P CA 1.510 64.747 63.100 0.228 0.000 0.788 410 P CB 0.211 31.966 31.700 0.091 0.000 0.767 411 D N -0.745 119.792 120.400 0.228 0.000 2.463 411 D HA 0.219 3.821 4.640 -1.729 0.000 0.224 411 D C 0.578 176.976 176.300 0.164 0.000 1.174 411 D CA -0.202 53.900 54.000 0.170 0.000 0.829 411 D CB 0.477 41.346 40.800 0.114 0.000 0.993 411 D HN 0.087 nan 8.370 nan 0.000 0.497 412 A N 1.715 124.674 122.820 0.232 0.000 2.531 412 A HA 0.217 3.500 4.320 -1.729 0.000 0.236 412 A C 0.493 178.131 177.584 0.091 0.000 1.062 412 A CA 0.413 52.514 52.037 0.108 0.000 0.760 412 A CB 0.215 19.235 19.000 0.034 0.000 0.995 412 A HN 0.307 nan 8.150 nan 0.000 0.501 413 Q N 0.130 119.924 119.800 -0.011 0.000 2.534 413 Q HA 0.729 4.031 4.340 -1.729 0.000 0.290 413 Q C -1.630 174.284 176.000 -0.143 0.000 0.991 413 Q CA -0.956 54.829 55.803 -0.031 0.000 0.783 413 Q CB 1.908 30.634 28.738 -0.021 0.000 1.470 413 Q HN 0.814 nan 8.270 nan 0.000 0.406 414 V N 1.253 121.039 119.914 -0.214 0.000 2.604 414 V HA 0.709 3.791 4.120 -1.729 0.000 0.305 414 V C -1.393 174.406 176.094 -0.492 0.000 1.043 414 V CA -0.604 61.422 62.300 -0.456 0.000 0.888 414 V CB 1.857 33.234 31.823 -0.743 0.000 0.995 414 V HN 0.686 nan 8.190 nan 0.000 0.429 415 V N 7.736 127.361 119.914 -0.483 0.000 2.350 415 V HA 0.607 3.689 4.120 -1.729 0.000 0.285 415 V C -1.124 174.775 176.094 -0.325 0.000 1.014 415 V CA -0.521 61.585 62.300 -0.323 0.000 0.831 415 V CB 1.140 32.860 31.823 -0.173 0.000 1.000 415 V HN 0.926 nan 8.190 nan 0.000 0.433 416 W N 5.232 126.480 121.300 -0.087 0.000 2.365 416 W HA 0.741 4.361 4.660 -1.732 0.000 0.316 416 W C 0.495 176.985 176.519 -0.049 0.000 1.164 416 W CA -0.056 57.237 57.345 -0.086 0.000 1.204 416 W CB 1.670 31.035 29.460 -0.159 0.000 1.213 416 W HN 0.796 nan 8.180 nan 0.000 0.539 417 S N 0.784 116.621 115.700 0.229 0.000 2.625 417 S HA 0.409 3.842 4.470 -1.729 0.000 0.271 417 S C -0.434 174.277 174.600 0.184 0.000 1.161 417 S CA -1.138 57.158 58.200 0.159 0.000 0.820 417 S CB 1.378 64.631 63.200 0.088 0.000 1.137 417 S HN 0.686 nan 8.310 nan 0.000 0.470 418 N N -0.080 118.721 118.700 0.169 0.000 2.696 418 N HA -0.163 3.539 4.740 -1.729 0.000 0.256 418 N C -0.959 174.697 175.510 0.243 0.000 1.031 418 N CA 0.570 53.734 53.050 0.189 0.000 0.730 418 N CB -1.618 36.967 38.487 0.164 0.000 0.894 418 N HN 0.712 nan 8.380 nan 0.000 0.544 419 I N 1.106 121.834 120.570 0.264 0.000 2.496 419 I HA 0.143 3.275 4.170 -1.729 0.000 0.285 419 I C 0.989 177.340 176.117 0.391 0.000 1.080 419 I CA 0.027 61.500 61.300 0.288 0.000 1.404 419 I CB 0.603 38.696 38.000 0.156 0.000 1.403 419 I HN 0.185 nan 8.210 nan 0.000 0.539 420 R N 5.738 126.462 120.500 0.374 0.000 2.670 420 R HA 0.649 3.951 4.340 -1.729 0.000 0.289 420 R C -1.443 175.163 176.300 0.511 0.000 0.965 420 R CA -0.794 55.548 56.100 0.404 0.000 0.899 420 R CB 2.566 32.985 30.300 0.197 0.000 1.173 420 R HN 0.387 nan 8.270 nan 0.000 0.456 421 F N 0.119 120.335 119.950 0.443 0.000 2.591 421 F HA 0.701 4.189 4.527 -1.732 0.000 0.309 421 F C -0.165 175.853 175.800 0.364 0.000 1.098 421 F CA 0.045 58.299 58.000 0.424 0.000 0.937 421 F CB 2.508 41.850 39.000 0.570 0.000 1.250 421 F HN 0.691 nan 8.300 nan 0.000 0.447 422 G N 3.536 112.198 108.800 -0.230 0.000 2.323 422 G HA2 0.351 3.274 3.960 -1.729 0.000 0.291 422 G HA3 0.351 3.274 3.960 -1.729 0.000 0.291 422 G C -3.405 171.375 174.900 -0.200 0.000 1.278 422 G CA -0.811 44.254 45.100 -0.058 0.000 0.860 422 G HN 0.359 nan 8.290 nan 0.000 0.504 423 P HA 0.335 nan 4.420 nan 0.000 0.274 423 P C 0.648 177.936 177.300 -0.021 0.000 1.237 423 P CA -0.268 62.819 63.100 -0.023 0.000 0.793 423 P CB 0.560 32.274 31.700 0.024 0.000 0.977 424 I N 0.823 121.395 120.570 0.004 0.000 3.076 424 I HA -0.191 2.942 4.170 -1.729 0.000 0.321 424 I C 1.833 177.979 176.117 0.049 0.000 1.216 424 I CA 2.009 63.328 61.300 0.031 0.000 1.460 424 I CB -1.537 36.491 38.000 0.046 0.000 1.313 424 I HN 0.870 nan 8.210 nan 0.000 0.546 425 G N 4.579 113.431 108.800 0.086 0.000 2.179 425 G HA2 -0.318 2.605 3.960 -1.729 0.000 0.260 425 G HA3 -0.318 2.605 3.960 -1.729 0.000 0.260 425 G C 0.850 175.805 174.900 0.092 0.000 0.977 425 G CA 0.731 45.893 45.100 0.103 0.000 0.641 425 G HN 0.822 nan 8.290 nan 0.000 0.533 426 S N -0.699 115.042 115.700 0.067 0.000 2.511 426 S HA 0.148 3.581 4.470 -1.729 0.000 0.214 426 S C 2.134 176.740 174.600 0.011 0.000 0.997 426 S CA 1.467 59.687 58.200 0.034 0.000 0.908 426 S CB -0.045 63.166 63.200 0.019 0.000 0.803 426 S HN 1.197 nan 8.310 nan 0.000 0.504 427 T N -1.748 112.824 114.554 0.031 0.000 3.035 427 T HA 0.302 3.614 4.350 -1.729 0.000 0.259 427 T C -0.008 174.443 174.700 -0.415 0.000 1.078 427 T CA 0.159 62.201 62.100 -0.096 0.000 1.132 427 T CB -0.428 68.455 68.868 0.025 0.000 0.900 427 T HN 0.453 nan 8.240 nan 0.000 0.480 428 Y N -0.061 120.334 120.300 0.159 0.000 2.513 428 Y HA 0.440 3.952 4.550 -1.729 0.000 0.340 428 Y C -0.923 175.094 175.900 0.196 0.000 1.055 428 Y CA -1.635 56.604 58.100 0.231 0.000 1.020 428 Y CB 1.558 40.261 38.460 0.404 0.000 1.301 428 Y HN -0.104 nan 8.280 nan 0.000 0.453 429 D N 2.640 123.156 120.400 0.193 0.000 2.671 429 D HA 0.299 3.901 4.640 -1.729 0.000 0.228 429 D C -1.195 174.851 176.300 -0.424 0.000 1.102 429 D CA 1.013 54.944 54.000 -0.115 0.000 1.044 429 D CB -0.417 40.245 40.800 -0.229 0.000 1.113 429 D HN 0.287 nan 8.370 nan 0.000 0.480 430 F N 0.000 119.990 119.950 0.066 0.000 2.286 430 F HA 0.000 3.490 4.527 -1.728 0.000 0.279 430 F CA 0.000 57.946 58.000 -0.090 0.000 1.383 430 F CB 0.000 38.899 39.000 -0.168 0.000 1.145 430 F HN 0.000 nan 8.300 nan 0.000 0.574