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 3nue_1_B DATA FIRST_RESID -1 DATA SEQUENCE GAMNWTVDIP IDQLPSLPPL PTDLRTRLDA ALAKPAAQQP TWPADQALAM DATA SEQUENCE RTVLESVPPV TVPSEIVRLQ EQLAQVAKGE AFLLQGGDcA ETFMDNTEPH DATA SEQUENCE IRGNVRALLQ MAVVLTYGAS MPVVKVARIA GQYAKPRSAD IDALGLRSYR DATA SEQUENCE GDMINGFAPD AAAREHDPSR LVRAYANASA AMNLVRALTS SGLASLHLVH DATA SEQUENCE DWNREFVRTS PAGARYEALA TEIDRGLRFM SACGVADRNL QTAEIYASHE DATA SEQUENCE ALVLDYERAM LRLSDGDDGE PQLFDLSAHT VWIGERTRQI DGAHIAFAQV DATA SEQUENCE IANPVGVKLG PNMTPELAVE YVERLDPHNK PGRLTLVSRM GNHKVRDLLP DATA SEQUENCE PIVEKVQATG HQVIWQCDPM HGNXXXXXXX FKTRHFDRIV DEVQGFFEVH DATA SEQUENCE RALGTHPGGI HVEITGENVT XXXXXXXXXX XXXLAGRYEX AcDPRLNTQQ DATA SEQUENCE SLELAFLVAE MLRD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 G HA2 0.000 nan 3.960 nan 0.000 0.244 -1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 -1 G C 0.000 174.843 174.900 -0.094 0.000 0.946 -1 G CA 0.000 45.069 45.100 -0.051 0.000 0.502 0 A N -0.513 122.219 122.820 -0.147 0.000 1.883 0 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 0 A C 2.448 179.845 177.584 -0.312 0.000 1.186 0 A CA 2.904 54.772 52.037 -0.281 0.000 0.624 0 A CB -0.621 18.214 19.000 -0.275 0.000 0.822 0 A HN 0.988 nan 8.150 nan 0.000 0.444 1 M N 0.262 119.764 119.600 -0.163 0.000 2.146 1 M HA -0.186 4.294 4.480 -0.000 0.000 0.256 1 M C 0.971 177.274 176.300 0.006 0.000 1.075 1 M CA 1.728 56.981 55.300 -0.078 0.000 1.082 1 M CB -0.488 32.094 32.600 -0.030 0.000 1.355 1 M HN 0.437 nan 8.290 nan 0.000 0.402 2 N N -2.153 116.558 118.700 0.019 0.000 2.235 2 N HA 0.016 4.756 4.740 -0.000 0.000 0.209 2 N C -0.873 174.782 175.510 0.241 0.000 1.122 2 N CA 0.212 53.338 53.050 0.127 0.000 0.845 2 N CB 0.143 38.677 38.487 0.077 0.000 1.004 2 N HN 0.492 nan 8.380 nan 0.000 0.499 3 W N 1.450 122.753 121.300 0.005 0.000 5.538 3 W HA -0.229 4.431 4.660 -0.000 0.000 0.377 3 W C 0.268 176.789 176.519 0.004 0.000 1.406 3 W CA 0.597 57.945 57.345 0.006 0.000 0.940 3 W CB -2.439 27.027 29.460 0.010 0.000 2.536 3 W HN -0.021 nan 8.180 nan 0.000 1.504 4 T N -3.528 111.089 114.554 0.105 0.000 2.907 4 T HA 0.780 5.129 4.350 -0.000 0.000 0.292 4 T C -0.537 174.174 174.700 0.018 0.000 1.043 4 T CA -1.112 61.031 62.100 0.071 0.000 1.003 4 T CB 2.439 71.342 68.868 0.059 0.000 1.084 4 T HN -0.103 nan 8.240 nan 0.000 0.483 5 V N 2.485 122.409 119.914 0.016 0.000 2.370 5 V HA 0.373 4.493 4.120 -0.000 0.000 0.279 5 V C -0.708 175.384 176.094 -0.002 0.000 1.029 5 V CA -0.686 61.612 62.300 -0.003 0.000 0.870 5 V CB 1.324 33.145 31.823 -0.004 0.000 0.984 5 V HN 0.918 nan 8.190 nan 0.000 0.451 6 D N 5.676 126.070 120.400 -0.009 0.000 2.317 6 D HA 0.472 5.112 4.640 -0.000 0.000 0.234 6 D C -0.316 175.977 176.300 -0.012 0.000 1.112 6 D CA 0.109 54.104 54.000 -0.008 0.000 0.840 6 D CB 1.739 42.533 40.800 -0.010 0.000 1.078 6 D HN 0.318 nan 8.370 nan 0.000 0.486 7 I N 3.822 124.384 120.570 -0.013 0.000 2.362 7 I HA 0.241 4.411 4.170 -0.000 0.000 0.289 7 I C -2.040 174.066 176.117 -0.019 0.000 0.994 7 I CA -1.865 59.425 61.300 -0.016 0.000 1.158 7 I CB 1.550 39.539 38.000 -0.018 0.000 1.315 7 I HN 0.053 nan 8.210 nan 0.000 0.451 8 P HA 0.390 nan 4.420 nan 0.000 0.285 8 P C 0.292 177.579 177.300 -0.022 0.000 1.259 8 P CA -0.308 62.781 63.100 -0.018 0.000 0.794 8 P CB 1.625 33.316 31.700 -0.016 0.000 0.940 9 I N 0.613 121.170 120.570 -0.023 0.000 2.628 9 I HA -0.015 4.154 4.170 -0.000 0.000 0.255 9 I C 0.740 176.843 176.117 -0.024 0.000 1.119 9 I CA 0.224 61.508 61.300 -0.027 0.000 1.448 9 I CB -0.240 37.742 38.000 -0.029 0.000 1.133 9 I HN 0.437 nan 8.210 nan 0.000 0.438 10 D N 2.198 122.587 120.400 -0.019 0.000 2.478 10 D HA -0.056 4.584 4.640 -0.000 0.000 0.234 10 D C 0.599 176.889 176.300 -0.017 0.000 1.154 10 D CA 0.897 54.887 54.000 -0.016 0.000 0.874 10 D CB 0.326 41.118 40.800 -0.013 0.000 1.198 10 D HN 0.318 nan 8.370 nan 0.000 0.455 11 Q N -0.045 119.745 119.800 -0.016 0.000 2.451 11 Q HA -0.162 4.178 4.340 -0.000 0.000 0.305 11 Q C -0.516 175.473 176.000 -0.019 0.000 1.345 11 Q CA 1.404 57.198 55.803 -0.015 0.000 0.854 11 Q CB -2.531 26.199 28.738 -0.013 0.000 1.162 11 Q HN 0.605 nan 8.270 nan 0.000 0.440 12 L N -0.197 121.013 121.223 -0.022 0.000 2.325 12 L HA 0.667 5.007 4.340 -0.000 0.000 0.278 12 L C -1.716 175.138 176.870 -0.027 0.000 1.023 12 L CA -2.402 52.422 54.840 -0.027 0.000 0.811 12 L CB 2.061 44.100 42.059 -0.035 0.000 1.249 12 L HN 0.273 nan 8.230 nan 0.000 0.431 13 P HA 0.063 nan 4.420 nan 0.000 0.265 13 P C -0.503 176.779 177.300 -0.031 0.000 1.222 13 P CA -0.151 62.933 63.100 -0.026 0.000 0.767 13 P CB 0.673 32.357 31.700 -0.027 0.000 0.801 14 S N 1.775 117.460 115.700 -0.025 0.000 2.655 14 S HA 0.650 5.120 4.470 -0.000 0.000 0.265 14 S C 0.224 174.810 174.600 -0.023 0.000 1.240 14 S CA -0.793 57.392 58.200 -0.025 0.000 0.986 14 S CB 0.133 63.322 63.200 -0.019 0.000 0.985 14 S HN 0.378 nan 8.310 nan 0.000 0.562 15 L N 1.280 122.491 121.223 -0.021 0.000 2.357 15 L HA 0.833 5.173 4.340 -0.000 0.000 0.273 15 L C -1.470 175.394 176.870 -0.010 0.000 1.080 15 L CA -2.199 52.631 54.840 -0.017 0.000 0.803 15 L CB -0.881 41.168 42.059 -0.016 0.000 1.174 15 L HN 0.888 nan 8.230 nan 0.000 0.443 16 P HA 0.423 nan 4.420 nan 0.000 0.272 16 P C -2.646 174.654 177.300 -0.001 0.000 1.240 16 P CA -1.085 62.013 63.100 -0.004 0.000 0.791 16 P CB -0.547 31.151 31.700 -0.002 0.000 0.978 17 P HA 0.233 nan 4.420 nan 0.000 0.276 17 P C 0.097 177.399 177.300 0.004 0.000 1.235 17 P CA -0.197 62.905 63.100 0.002 0.000 0.772 17 P CB 0.335 32.036 31.700 0.002 0.000 0.871 18 L N 4.954 126.181 121.223 0.006 0.000 2.516 18 L HA 0.052 4.392 4.340 -0.000 0.000 0.288 18 L C -1.636 175.238 176.870 0.006 0.000 1.246 18 L CA -1.400 53.445 54.840 0.008 0.000 0.844 18 L CB -0.544 41.521 42.059 0.009 0.000 1.106 18 L HN 0.273 nan 8.230 nan 0.000 0.509 19 P HA -0.036 nan 4.420 nan 0.000 0.260 19 P C 0.743 178.046 177.300 0.004 0.000 1.185 19 P CA 0.226 63.329 63.100 0.005 0.000 0.763 19 P CB 0.439 32.142 31.700 0.005 0.000 0.776 20 T N 1.907 116.464 114.554 0.004 0.000 2.693 20 T HA -0.296 4.054 4.350 -0.000 0.000 0.263 20 T C 1.333 176.035 174.700 0.003 0.000 1.046 20 T CA 2.245 64.348 62.100 0.004 0.000 1.160 20 T CB -0.724 68.146 68.868 0.003 0.000 0.853 20 T HN 0.623 nan 8.240 nan 0.000 0.462 21 D N 1.416 121.818 120.400 0.002 0.000 2.178 21 D HA -0.067 4.573 4.640 -0.000 0.000 0.202 21 D C 2.121 178.420 176.300 -0.001 0.000 0.974 21 D CA 0.792 54.793 54.000 0.001 0.000 0.841 21 D CB -0.706 40.095 40.800 0.001 0.000 0.953 21 D HN 0.397 nan 8.370 nan 0.000 0.478 22 L N -0.284 120.938 121.223 -0.003 0.000 2.141 22 L HA -0.042 4.298 4.340 -0.000 0.000 0.209 22 L C 2.867 179.737 176.870 -0.001 0.000 1.094 22 L CA 0.632 55.467 54.840 -0.008 0.000 0.763 22 L CB -0.415 41.638 42.059 -0.011 0.000 0.908 22 L HN 0.024 nan 8.230 nan 0.000 0.437 23 R N 0.408 120.911 120.500 0.004 0.000 2.070 23 R HA -0.149 4.191 4.340 -0.000 0.000 0.232 23 R C 2.254 178.561 176.300 0.011 0.000 1.138 23 R CA 2.386 58.492 56.100 0.010 0.000 0.936 23 R CB -0.896 29.409 30.300 0.009 0.000 0.839 23 R HN 0.108 nan 8.270 nan 0.000 0.429 24 T N 0.882 115.441 114.554 0.008 0.000 2.684 24 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 24 T C 1.833 176.538 174.700 0.009 0.000 1.036 24 T CA 1.757 63.862 62.100 0.009 0.000 1.148 24 T CB -0.202 68.669 68.868 0.006 0.000 0.863 24 T HN 0.310 nan 8.240 nan 0.000 0.436 25 R N 0.209 120.712 120.500 0.004 0.000 2.096 25 R HA -0.004 4.335 4.340 -0.000 0.000 0.235 25 R C 2.443 178.749 176.300 0.010 0.000 1.127 25 R CA 0.979 57.080 56.100 0.002 0.000 0.968 25 R CB -0.662 29.632 30.300 -0.010 0.000 0.861 25 R HN 0.284 nan 8.270 nan 0.000 0.440 26 L N 1.630 122.861 121.223 0.014 0.000 2.027 26 L HA -0.141 4.199 4.340 -0.000 0.000 0.206 26 L C 1.445 178.348 176.870 0.054 0.000 1.074 26 L CA 1.947 56.810 54.840 0.039 0.000 0.745 26 L CB -0.497 41.588 42.059 0.043 0.000 0.898 26 L HN 0.019 nan 8.230 nan 0.000 0.433 27 D N 0.254 120.677 120.400 0.038 0.000 2.133 27 D HA -0.223 4.417 4.640 -0.000 0.000 0.195 27 D C 2.195 178.513 176.300 0.031 0.000 0.997 27 D CA 1.676 55.696 54.000 0.033 0.000 0.840 27 D CB -0.354 40.460 40.800 0.023 0.000 0.947 27 D HN 0.529 nan 8.370 nan 0.000 0.452 28 A N 1.163 123.998 122.820 0.026 0.000 1.908 28 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 28 A C 2.356 179.959 177.584 0.031 0.000 1.181 28 A CA 2.495 54.546 52.037 0.023 0.000 0.627 28 A CB -0.756 18.253 19.000 0.017 0.000 0.818 28 A HN 0.260 nan 8.150 nan 0.000 0.445 29 A N -0.376 122.470 122.820 0.043 0.000 1.877 29 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 29 A C 2.090 179.710 177.584 0.061 0.000 1.186 29 A CA 1.480 53.554 52.037 0.062 0.000 0.620 29 A CB -0.578 18.477 19.000 0.092 0.000 0.822 29 A HN 0.470 nan 8.150 nan 0.000 0.443 30 L N -0.814 120.446 121.223 0.061 0.000 2.376 30 L HA -0.046 4.294 4.340 -0.000 0.000 0.219 30 L C 2.733 179.610 176.870 0.011 0.000 1.133 30 L CA 0.562 55.417 54.840 0.026 0.000 0.816 30 L CB -0.335 41.741 42.059 0.029 0.000 0.933 30 L HN 0.431 nan 8.230 nan 0.000 0.449 31 A N -0.260 122.572 122.820 0.019 0.000 2.168 31 A HA -0.044 4.276 4.320 -0.000 0.000 0.215 31 A C 1.158 178.750 177.584 0.014 0.000 1.152 31 A CA 0.483 52.529 52.037 0.015 0.000 0.716 31 A CB -0.183 18.827 19.000 0.017 0.000 0.794 31 A HN 0.241 nan 8.150 nan 0.000 0.465 32 K N 0.522 120.932 120.400 0.016 0.000 2.180 32 K HA 0.312 4.632 4.320 -0.000 0.000 0.251 32 K C -2.613 173.997 176.600 0.016 0.000 1.014 32 K CA -1.751 54.547 56.287 0.020 0.000 0.913 32 K CB 0.025 32.543 32.500 0.030 0.000 1.008 32 K HN 0.054 nan 8.250 nan 0.000 0.490 33 P HA 0.085 nan 4.420 nan 0.000 0.275 33 P C -1.559 175.764 177.300 0.038 0.000 1.227 33 P CA -0.266 62.850 63.100 0.026 0.000 0.781 33 P CB 0.990 32.708 31.700 0.030 0.000 0.906 34 A N 2.478 125.318 122.820 0.033 0.000 2.311 34 A HA 0.672 4.992 4.320 -0.000 0.000 0.306 34 A C 0.127 177.772 177.584 0.101 0.000 1.189 34 A CA -0.683 51.394 52.037 0.066 0.000 0.791 34 A CB 0.683 19.658 19.000 -0.043 0.000 1.172 34 A HN 0.581 nan 8.150 nan 0.000 0.481 35 A N 2.069 124.974 122.820 0.142 0.000 2.386 35 A HA 0.496 4.816 4.320 -0.000 0.000 0.246 35 A C 0.783 178.410 177.584 0.072 0.000 1.089 35 A CA 0.122 52.204 52.037 0.076 0.000 0.790 35 A CB -0.055 18.965 19.000 0.034 0.000 1.042 35 A HN 1.248 nan 8.150 nan 0.000 0.497 36 Q N -1.302 118.504 119.800 0.010 0.000 2.481 36 Q HA -0.150 4.190 4.340 -0.000 0.000 0.272 36 Q C -0.541 175.436 176.000 -0.039 0.000 1.157 36 Q CA 1.090 56.879 55.803 -0.024 0.000 0.935 36 Q CB -1.549 27.157 28.738 -0.054 0.000 1.338 36 Q HN 0.810 nan 8.270 nan 0.000 0.494 37 Q N 0.740 120.517 119.800 -0.038 0.000 2.235 37 Q HA 0.453 4.793 4.340 -0.000 0.000 0.250 37 Q C -1.787 174.099 176.000 -0.190 0.000 0.909 37 Q CA -1.694 54.052 55.803 -0.095 0.000 0.910 37 Q CB 0.598 29.299 28.738 -0.062 0.000 1.223 37 Q HN 0.071 nan 8.270 nan 0.000 0.432 38 P HA 0.003 nan 4.420 nan 0.000 0.268 38 P C -0.174 176.849 177.300 -0.462 0.000 1.208 38 P CA 0.033 62.789 63.100 -0.573 0.000 0.777 38 P CB 0.305 31.074 31.700 -1.553 0.000 0.875 39 T N -0.986 113.468 114.554 -0.166 0.000 3.368 39 T HA 0.432 4.782 4.350 -0.000 0.000 0.321 39 T C -0.310 174.352 174.700 -0.063 0.000 1.830 39 T CA -0.755 61.244 62.100 -0.168 0.000 1.494 39 T CB -0.966 67.803 68.868 -0.165 0.000 1.045 39 T HN 0.403 nan 8.240 nan 0.000 0.729 40 W N 0.602 121.959 121.300 0.095 0.000 2.481 40 W HA 0.802 5.461 4.660 -0.000 0.000 0.369 40 W C -2.934 173.609 176.519 0.040 0.000 1.235 40 W CA -3.369 54.017 57.345 0.068 0.000 1.344 40 W CB -1.136 28.377 29.460 0.087 0.000 1.360 40 W HN 0.056 nan 8.180 nan 0.000 0.658 41 P HA 0.277 nan 4.420 nan 0.000 0.275 41 P C 0.676 178.082 177.300 0.177 0.000 1.228 41 P CA -0.004 63.209 63.100 0.189 0.000 0.786 41 P CB 1.067 32.833 31.700 0.109 0.000 0.927 42 A N 2.953 125.852 122.820 0.132 0.000 1.917 42 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 42 A C 1.791 179.402 177.584 0.046 0.000 1.182 42 A CA 2.181 54.276 52.037 0.098 0.000 0.633 42 A CB -1.138 17.903 19.000 0.068 0.000 0.819 42 A HN 0.719 nan 8.150 nan 0.000 0.448 43 D N -0.687 119.732 120.400 0.031 0.000 2.149 43 D HA -0.190 4.450 4.640 -0.000 0.000 0.201 43 D C 1.830 178.116 176.300 -0.024 0.000 0.972 43 D CA 1.491 55.494 54.000 0.005 0.000 0.835 43 D CB -0.750 40.056 40.800 0.009 0.000 0.966 43 D HN 0.649 nan 8.370 nan 0.000 0.476 44 Q N 0.532 120.312 119.800 -0.034 0.000 2.079 44 Q HA 0.026 4.366 4.340 -0.000 0.000 0.200 44 Q C 2.498 178.391 176.000 -0.179 0.000 0.974 44 Q CA 1.427 57.175 55.803 -0.093 0.000 0.840 44 Q CB -0.224 28.460 28.738 -0.089 0.000 0.898 44 Q HN 0.397 nan 8.270 nan 0.000 0.430 45 A N 1.252 123.946 122.820 -0.210 0.000 1.892 45 A HA -0.219 4.100 4.320 -0.000 0.000 0.218 45 A C 2.097 179.605 177.584 -0.126 0.000 1.188 45 A CA 1.482 53.362 52.037 -0.261 0.000 0.631 45 A CB -0.761 18.192 19.000 -0.078 0.000 0.822 45 A HN 0.363 nan 8.150 nan 0.000 0.447 46 L N -0.324 120.862 121.223 -0.061 0.000 2.046 46 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 46 L C 2.664 179.499 176.870 -0.058 0.000 1.077 46 L CA 2.326 57.142 54.840 -0.040 0.000 0.747 46 L CB -0.765 41.283 42.059 -0.018 0.000 0.896 46 L HN 0.350 nan 8.230 nan 0.000 0.432 47 A N -0.781 121.999 122.820 -0.068 0.000 1.902 47 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 47 A C 2.190 179.724 177.584 -0.082 0.000 1.181 47 A CA 2.105 54.102 52.037 -0.066 0.000 0.623 47 A CB -0.524 18.439 19.000 -0.061 0.000 0.818 47 A HN 0.486 nan 8.150 nan 0.000 0.443 48 M N -0.412 119.118 119.600 -0.116 0.000 2.117 48 M HA -0.100 4.380 4.480 -0.000 0.000 0.262 48 M C 2.134 178.375 176.300 -0.098 0.000 1.065 48 M CA 1.408 56.635 55.300 -0.121 0.000 1.114 48 M CB -1.355 31.131 32.600 -0.190 0.000 1.361 48 M HN 0.402 nan 8.290 nan 0.000 0.408 49 R N -0.563 119.884 120.500 -0.089 0.000 2.105 49 R HA -0.107 4.233 4.340 -0.000 0.000 0.239 49 R C 2.131 178.384 176.300 -0.079 0.000 1.135 49 R CA 1.784 57.842 56.100 -0.071 0.000 0.967 49 R CB -0.691 29.581 30.300 -0.046 0.000 0.861 49 R HN 0.410 nan 8.270 nan 0.000 0.442 50 T N 0.593 115.105 114.554 -0.070 0.000 2.867 50 T HA -0.057 4.293 4.350 -0.000 0.000 0.268 50 T C 1.998 176.650 174.700 -0.079 0.000 1.057 50 T CA 0.949 63.011 62.100 -0.064 0.000 1.136 50 T CB -0.057 68.781 68.868 -0.050 0.000 0.874 50 T HN -0.009 nan 8.240 nan 0.000 0.466 51 V N 1.852 121.714 119.914 -0.087 0.000 2.261 51 V HA -0.122 3.997 4.120 -0.000 0.000 0.246 51 V C 2.461 178.460 176.094 -0.159 0.000 1.047 51 V CA 1.556 63.795 62.300 -0.102 0.000 1.015 51 V CB -0.676 31.094 31.823 -0.088 0.000 0.642 51 V HN 0.461 nan 8.190 nan 0.000 0.446 52 L N -0.346 120.764 121.223 -0.188 0.000 2.265 52 L HA -0.165 4.175 4.340 -0.000 0.000 0.215 52 L C 2.384 179.103 176.870 -0.251 0.000 1.117 52 L CA 1.293 55.954 54.840 -0.300 0.000 0.782 52 L CB -0.680 41.216 42.059 -0.271 0.000 0.914 52 L HN 0.434 nan 8.230 nan 0.000 0.441 53 E N -0.127 119.977 120.200 -0.159 0.000 2.409 53 E HA -0.132 4.218 4.350 -0.000 0.000 0.198 53 E C 1.818 178.350 176.600 -0.113 0.000 1.024 53 E CA 1.201 57.530 56.400 -0.118 0.000 0.861 53 E CB 0.132 29.786 29.700 -0.077 0.000 0.788 53 E HN 0.506 nan 8.360 nan 0.000 0.521 54 S N -0.654 114.967 115.700 -0.132 0.000 2.559 54 S HA 0.097 4.566 4.470 -0.000 0.000 0.226 54 S C 0.664 175.192 174.600 -0.121 0.000 1.000 54 S CA -0.474 57.663 58.200 -0.104 0.000 0.948 54 S CB -0.048 63.105 63.200 -0.080 0.000 0.870 54 S HN 0.061 nan 8.310 nan 0.000 0.497 55 V N -0.663 119.125 119.914 -0.209 0.000 3.083 55 V HA 0.605 4.725 4.120 -0.000 0.000 0.306 55 V C -2.832 173.196 176.094 -0.109 0.000 1.077 55 V CA -2.461 59.712 62.300 -0.212 0.000 1.073 55 V CB -0.540 30.947 31.823 -0.560 0.000 1.081 55 V HN -0.010 nan 8.190 nan 0.000 0.474 56 P HA 0.204 nan 4.420 nan 0.000 0.264 56 P C -2.473 174.898 177.300 0.119 0.000 1.183 56 P CA -0.439 62.705 63.100 0.073 0.000 0.763 56 P CB -0.333 31.439 31.700 0.119 0.000 0.807 57 P HA 0.005 nan 4.420 nan 0.000 0.274 57 P C 0.568 177.946 177.300 0.130 0.000 1.237 57 P CA -0.099 63.052 63.100 0.084 0.000 0.793 57 P CB 0.849 32.566 31.700 0.028 0.000 0.977 58 V N 0.096 120.092 119.914 0.137 0.000 2.591 58 V HA -0.040 4.079 4.120 -0.000 0.000 0.249 58 V C 1.499 177.597 176.094 0.007 0.000 1.053 58 V CA 2.300 64.656 62.300 0.094 0.000 1.068 58 V CB -0.897 30.997 31.823 0.119 0.000 0.689 58 V HN 0.829 nan 8.190 nan 0.000 0.462 59 T N -1.803 112.726 114.554 -0.041 0.000 2.887 59 T HA 0.727 5.076 4.350 -0.000 0.000 0.292 59 T C -0.791 173.888 174.700 -0.034 0.000 1.087 59 T CA -0.261 61.775 62.100 -0.107 0.000 1.009 59 T CB 2.106 70.738 68.868 -0.394 0.000 1.203 59 T HN 0.249 nan 8.240 nan 0.000 0.518 60 V N -2.013 117.897 119.914 -0.006 0.000 2.864 60 V HA 0.631 4.751 4.120 -0.000 0.000 0.314 60 V C -2.381 173.638 176.094 -0.126 0.000 1.073 60 V CA -2.647 59.620 62.300 -0.056 0.000 0.956 60 V CB 1.403 33.204 31.823 -0.038 0.000 1.023 60 V HN 0.603 nan 8.190 nan 0.000 0.435 61 P HA -0.154 nan 4.420 nan 0.000 0.216 61 P C 1.895 178.980 177.300 -0.357 0.000 1.150 61 P CA 2.358 65.011 63.100 -0.746 0.000 0.843 61 P CB 0.139 31.160 31.700 -1.132 0.000 0.787 62 S N -0.903 114.688 115.700 -0.182 0.000 2.481 62 S HA -0.110 4.360 4.470 -0.000 0.000 0.231 62 S C 1.752 176.372 174.600 0.033 0.000 0.996 62 S CA 0.805 58.968 58.200 -0.061 0.000 0.942 62 S CB -0.908 62.267 63.200 -0.042 0.000 0.768 62 S HN 0.206 nan 8.310 nan 0.000 0.520 63 E N 0.876 121.129 120.200 0.088 0.000 2.152 63 E HA 0.028 4.378 4.350 -0.000 0.000 0.192 63 E C 1.856 178.604 176.600 0.246 0.000 0.983 63 E CA 1.242 57.765 56.400 0.204 0.000 0.818 63 E CB -0.258 29.642 29.700 0.332 0.000 0.758 63 E HN 0.604 nan 8.360 nan 0.000 0.467 64 I N 0.629 121.342 120.570 0.238 0.000 2.353 64 I HA -0.205 3.965 4.170 -0.000 0.000 0.248 64 I C 2.264 178.489 176.117 0.181 0.000 1.119 64 I CA 0.560 62.013 61.300 0.255 0.000 1.417 64 I CB -0.078 38.135 38.000 0.356 0.000 1.078 64 I HN -0.022 nan 8.210 nan 0.000 0.421 65 V N 0.823 120.845 119.914 0.179 0.000 2.295 65 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 65 V C 2.635 178.770 176.094 0.068 0.000 1.049 65 V CA 1.801 64.179 62.300 0.130 0.000 1.024 65 V CB -0.811 31.084 31.823 0.120 0.000 0.648 65 V HN 0.408 nan 8.190 nan 0.000 0.447 66 R N -0.369 120.173 120.500 0.070 0.000 2.103 66 R HA -0.215 4.125 4.340 -0.000 0.000 0.242 66 R C 2.313 178.612 176.300 -0.002 0.000 1.142 66 R CA 2.033 58.168 56.100 0.058 0.000 0.960 66 R CB -0.459 29.902 30.300 0.103 0.000 0.858 66 R HN 0.461 nan 8.270 nan 0.000 0.439 67 L N 1.336 122.509 121.223 -0.083 0.000 2.017 67 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 67 L C 2.406 179.161 176.870 -0.191 0.000 1.073 67 L CA 2.062 56.692 54.840 -0.351 0.000 0.745 67 L CB -0.826 40.887 42.059 -0.577 0.000 0.894 67 L HN 0.152 nan 8.230 nan 0.000 0.432 68 Q N 0.243 119.990 119.800 -0.088 0.000 2.112 68 Q HA -0.272 4.068 4.340 -0.000 0.000 0.206 68 Q C 2.029 178.002 176.000 -0.044 0.000 0.987 68 Q CA 2.470 58.242 55.803 -0.050 0.000 0.858 68 Q CB -0.282 28.455 28.738 -0.002 0.000 0.905 68 Q HN 0.713 nan 8.270 nan 0.000 0.420 69 E N -0.509 119.673 120.200 -0.029 0.000 2.106 69 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 69 E C 2.183 178.768 176.600 -0.026 0.000 0.984 69 E CA 1.134 57.523 56.400 -0.018 0.000 0.806 69 E CB -0.079 29.621 29.700 -0.001 0.000 0.750 69 E HN 0.521 nan 8.360 nan 0.000 0.458 70 Q N 0.407 120.182 119.800 -0.043 0.000 2.119 70 Q HA -0.080 4.260 4.340 -0.000 0.000 0.201 70 Q C 2.263 178.233 176.000 -0.050 0.000 0.972 70 Q CA 0.869 56.649 55.803 -0.038 0.000 0.847 70 Q CB -0.005 28.708 28.738 -0.042 0.000 0.903 70 Q HN 0.306 nan 8.270 nan 0.000 0.433 71 L N 0.078 121.251 121.223 -0.084 0.000 2.201 71 L HA -0.108 4.232 4.340 -0.000 0.000 0.212 71 L C 2.422 179.264 176.870 -0.046 0.000 1.105 71 L CA 0.602 55.397 54.840 -0.075 0.000 0.775 71 L CB -0.518 41.481 42.059 -0.100 0.000 0.913 71 L HN 0.196 nan 8.230 nan 0.000 0.440 72 A N -0.494 122.303 122.820 -0.038 0.000 1.933 72 A HA -0.200 4.119 4.320 -0.000 0.000 0.218 72 A C 2.276 179.847 177.584 -0.022 0.000 1.175 72 A CA 1.153 53.174 52.037 -0.027 0.000 0.628 72 A CB -0.293 18.694 19.000 -0.022 0.000 0.814 72 A HN 0.343 nan 8.150 nan 0.000 0.444 73 Q N -0.100 119.690 119.800 -0.017 0.000 2.096 73 Q HA -0.129 4.211 4.340 -0.000 0.000 0.204 73 Q C 2.349 178.343 176.000 -0.010 0.000 0.982 73 Q CA 1.671 57.466 55.803 -0.014 0.000 0.850 73 Q CB -0.967 27.770 28.738 -0.002 0.000 0.901 73 Q HN 0.502 nan 8.270 nan 0.000 0.422 74 V N 1.342 121.265 119.914 0.016 0.000 2.287 74 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 74 V C 2.425 178.565 176.094 0.078 0.000 1.053 74 V CA 1.895 64.239 62.300 0.073 0.000 1.027 74 V CB -1.263 30.585 31.823 0.041 0.000 0.646 74 V HN 0.347 nan 8.190 nan 0.000 0.447 75 A N -0.336 122.498 122.820 0.023 0.000 1.978 75 A HA -0.251 4.069 4.320 -0.000 0.000 0.220 75 A C 2.168 179.757 177.584 0.007 0.000 1.170 75 A CA 1.991 54.039 52.037 0.019 0.000 0.636 75 A CB -0.450 18.538 19.000 -0.020 0.000 0.810 75 A HN 0.583 nan 8.150 nan 0.000 0.448 76 K N -1.457 118.919 120.400 -0.040 0.000 2.487 76 K HA 0.253 4.573 4.320 -0.000 0.000 0.192 76 K C 0.890 177.386 176.600 -0.173 0.000 1.027 76 K CA 0.465 56.709 56.287 -0.070 0.000 1.054 76 K CB -0.032 32.436 32.500 -0.054 0.000 0.824 76 K HN 0.665 nan 8.250 nan 0.000 0.510 77 G N 1.675 110.246 108.800 -0.382 0.000 2.149 77 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.235 77 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.235 77 G C 0.191 174.783 174.900 -0.512 0.000 1.018 77 G CA 0.207 44.757 45.100 -0.918 0.000 0.728 77 G HN 0.449 nan 8.290 nan 0.000 0.508 78 E N -0.884 119.166 120.200 -0.251 0.000 2.676 78 E HA 0.580 4.929 4.350 -0.000 0.000 0.222 78 E C 0.817 177.423 176.600 0.009 0.000 0.968 78 E CA 0.571 56.918 56.400 -0.088 0.000 1.090 78 E CB 0.898 30.562 29.700 -0.061 0.000 1.066 78 E HN 0.938 nan 8.360 nan 0.000 0.496 79 A N 0.436 123.302 122.820 0.075 0.000 2.567 79 A HA 0.750 5.070 4.320 -0.000 0.000 0.289 79 A C -1.965 175.830 177.584 0.352 0.000 1.177 79 A CA -0.590 51.546 52.037 0.164 0.000 0.694 79 A CB 1.177 20.236 19.000 0.099 0.000 1.292 79 A HN 0.116 nan 8.150 nan 0.000 0.425 80 F N -0.141 119.881 119.950 0.121 0.000 2.569 80 F HA 0.650 5.177 4.527 -0.000 0.000 0.312 80 F C -1.337 174.495 175.800 0.053 0.000 1.109 80 F CA -0.913 57.155 58.000 0.114 0.000 0.919 80 F CB 1.927 40.991 39.000 0.107 0.000 1.211 80 F HN 0.549 nan 8.300 nan 0.000 0.446 81 L N 7.156 128.082 121.223 -0.495 0.000 2.264 81 L HA 0.608 4.948 4.340 -0.000 0.000 0.289 81 L C -1.727 174.916 176.870 -0.379 0.000 1.044 81 L CA -0.619 54.022 54.840 -0.332 0.000 0.807 81 L CB 1.124 42.998 42.059 -0.308 0.000 1.192 81 L HN 0.628 nan 8.230 nan 0.000 0.425 82 L N 5.105 126.260 121.223 -0.114 0.000 2.298 82 L HA 0.579 4.918 4.340 -0.000 0.000 0.284 82 L C -0.795 176.018 176.870 -0.094 0.000 1.013 82 L CA 0.084 54.893 54.840 -0.053 0.000 0.824 82 L CB 1.393 43.501 42.059 0.082 0.000 1.221 82 L HN 0.821 nan 8.230 nan 0.000 0.418 83 Q N 3.268 122.964 119.800 -0.173 0.000 2.340 83 Q HA 0.828 5.168 4.340 -0.000 0.000 0.268 83 Q C -0.894 174.993 176.000 -0.190 0.000 1.031 83 Q CA -0.555 55.087 55.803 -0.268 0.000 0.804 83 Q CB 2.025 30.385 28.738 -0.630 0.000 1.286 83 Q HN 0.981 nan 8.270 nan 0.000 0.448 84 G N 0.753 109.495 108.800 -0.096 0.000 2.579 84 G HA2 0.703 4.663 3.960 -0.000 0.000 0.292 84 G HA3 0.703 4.663 3.960 -0.000 0.000 0.292 84 G C -1.025 173.890 174.900 0.024 0.000 1.484 84 G CA -0.019 45.080 45.100 -0.003 0.000 0.813 84 G HN 0.938 nan 8.290 nan 0.000 0.515 85 G N -0.434 108.392 108.800 0.042 0.000 2.356 85 G HA2 0.417 4.376 3.960 -0.000 0.000 0.288 85 G HA3 0.417 4.376 3.960 -0.000 0.000 0.288 85 G C -1.596 173.335 174.900 0.053 0.000 1.302 85 G CA -0.683 44.439 45.100 0.036 0.000 0.887 85 G HN 0.686 nan 8.290 nan 0.000 0.521 86 D N -0.346 120.084 120.400 0.050 0.000 2.525 86 D HA 0.123 4.763 4.640 -0.000 0.000 0.235 86 D C 1.664 178.013 176.300 0.081 0.000 1.137 86 D CA 0.477 54.515 54.000 0.063 0.000 0.868 86 D CB 1.440 42.294 40.800 0.090 0.000 1.180 86 D HN 0.652 nan 8.370 nan 0.000 0.465 87 c N 2.698 121.336 118.600 0.064 0.000 2.413 87 c HA 0.068 4.638 4.570 -0.000 0.000 0.277 87 c C 0.889 175.032 174.090 0.088 0.000 1.228 87 c CA 1.219 57.604 56.329 0.093 0.000 1.731 87 c CB -0.677 41.869 42.510 0.060 0.000 2.042 87 c HN 0.651 nan 8.230 nan 0.000 0.468 88 A N 0.314 123.158 122.820 0.041 0.000 2.359 88 A HA 0.632 4.952 4.320 -0.000 0.000 0.303 88 A C -0.735 176.835 177.584 -0.025 0.000 1.066 88 A CA -0.456 51.583 52.037 0.003 0.000 0.730 88 A CB 0.650 19.663 19.000 0.022 0.000 1.211 88 A HN 0.657 nan 8.150 nan 0.000 0.439 89 E N 0.965 121.094 120.200 -0.117 0.000 2.390 89 E HA 0.436 4.786 4.350 -0.000 0.000 0.261 89 E C 0.215 176.870 176.600 0.092 0.000 1.076 89 E CA 0.099 56.445 56.400 -0.090 0.000 0.905 89 E CB 0.934 30.389 29.700 -0.409 0.000 0.984 89 E HN 0.709 nan 8.360 nan 0.000 0.427 90 T N -1.353 113.294 114.554 0.155 0.000 2.893 90 T HA 0.287 4.636 4.350 -0.000 0.000 0.291 90 T C 0.492 175.373 174.700 0.301 0.000 1.028 90 T CA -0.809 61.379 62.100 0.147 0.000 0.995 90 T CB 0.523 69.368 68.868 -0.039 0.000 1.051 90 T HN 0.198 nan 8.240 nan 0.000 0.470 91 F N 1.587 121.597 119.950 0.099 0.000 2.161 91 F HA -0.047 4.480 4.527 -0.000 0.000 0.300 91 F C 2.494 178.297 175.800 0.005 0.000 1.089 91 F CA 1.394 59.397 58.000 0.005 0.000 1.282 91 F CB -1.097 37.864 39.000 -0.065 0.000 1.010 91 F HN 0.750 nan 8.300 nan 0.000 0.485 92 M N -0.504 119.190 119.600 0.157 0.000 2.319 92 M HA -0.078 4.402 4.480 -0.000 0.000 0.265 92 M C 0.572 176.872 176.300 -0.000 0.000 1.068 92 M CA 1.968 57.302 55.300 0.057 0.000 1.118 92 M CB -0.360 32.244 32.600 0.007 0.000 1.395 92 M HN -0.213 nan 8.290 nan 0.000 0.435 93 D N 0.689 121.060 120.400 -0.047 0.000 2.340 93 D HA 0.077 4.717 4.640 -0.000 0.000 0.217 93 D C -0.088 176.196 176.300 -0.027 0.000 1.081 93 D CA 0.202 54.106 54.000 -0.159 0.000 0.842 93 D CB -0.322 40.177 40.800 -0.503 0.000 0.934 93 D HN 0.379 nan 8.370 nan 0.000 0.511 94 N N 1.200 119.959 118.700 0.100 0.000 3.103 94 N HA -0.006 4.734 4.740 -0.000 0.000 0.305 94 N C -0.733 174.844 175.510 0.112 0.000 1.232 94 N CA 0.106 53.254 53.050 0.164 0.000 1.190 94 N CB -0.310 38.305 38.487 0.213 0.000 1.461 94 N HN 0.020 nan 8.380 nan 0.000 0.538 95 T N -2.803 111.822 114.554 0.118 0.000 2.930 95 T HA 0.279 4.629 4.350 -0.000 0.000 0.290 95 T C 0.920 175.671 174.700 0.086 0.000 1.052 95 T CA -0.773 61.378 62.100 0.084 0.000 1.017 95 T CB 1.716 70.623 68.868 0.066 0.000 1.137 95 T HN 0.052 nan 8.240 nan 0.000 0.511 96 E N 0.639 120.871 120.200 0.053 0.000 2.058 96 E HA -0.080 4.270 4.350 -0.000 0.000 0.194 96 E C -0.861 175.756 176.600 0.029 0.000 0.997 96 E CA 1.793 58.214 56.400 0.036 0.000 0.801 96 E CB -1.379 28.337 29.700 0.025 0.000 0.746 96 E HN 0.516 nan 8.360 nan 0.000 0.450 97 P HA -0.088 nan 4.420 nan 0.000 0.217 97 P C 1.210 178.526 177.300 0.027 0.000 1.151 97 P CA 1.504 64.615 63.100 0.018 0.000 0.828 97 P CB -0.219 31.494 31.700 0.023 0.000 0.788 98 H N -0.372 118.685 119.070 -0.023 0.000 2.363 98 H HA -0.005 4.551 4.556 -0.000 0.000 0.301 98 H C 1.835 177.147 175.328 -0.026 0.000 1.074 98 H CA 1.366 57.397 56.048 -0.027 0.000 1.354 98 H CB -0.937 28.816 29.762 -0.015 0.000 1.397 98 H HN -0.060 nan 8.280 nan 0.000 0.516 99 I N 0.159 120.709 120.570 -0.033 0.000 2.127 99 I HA -0.286 3.884 4.170 -0.000 0.000 0.241 99 I C 2.711 178.765 176.117 -0.105 0.000 1.075 99 I CA 1.402 62.656 61.300 -0.076 0.000 1.334 99 I CB -0.338 37.671 38.000 0.014 0.000 1.040 99 I HN 0.232 nan 8.210 nan 0.000 0.405 100 R N 0.534 120.991 120.500 -0.072 0.000 2.113 100 R HA -0.194 4.146 4.340 -0.000 0.000 0.244 100 R C 2.383 178.591 176.300 -0.153 0.000 1.142 100 R CA 1.764 57.813 56.100 -0.085 0.000 0.953 100 R CB -0.879 29.378 30.300 -0.071 0.000 0.860 100 R HN 0.533 nan 8.270 nan 0.000 0.438 101 G N 0.698 109.388 108.800 -0.185 0.000 2.421 101 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.216 101 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.216 101 G C 1.192 175.954 174.900 -0.229 0.000 1.171 101 G CA 0.789 45.754 45.100 -0.224 0.000 0.775 101 G HN 0.265 nan 8.290 nan 0.000 0.543 102 N N 0.135 118.678 118.700 -0.262 0.000 2.188 102 N HA -0.064 4.676 4.740 -0.000 0.000 0.184 102 N C 2.296 177.731 175.510 -0.124 0.000 1.018 102 N CA 0.799 53.723 53.050 -0.210 0.000 0.858 102 N CB -0.368 37.969 38.487 -0.249 0.000 0.989 102 N HN 0.189 nan 8.380 nan 0.000 0.426 103 V N 1.206 121.058 119.914 -0.104 0.000 2.358 103 V HA -0.153 3.967 4.120 -0.000 0.000 0.246 103 V C 2.535 178.610 176.094 -0.032 0.000 1.047 103 V CA 1.353 63.624 62.300 -0.047 0.000 1.035 103 V CB -0.399 31.409 31.823 -0.026 0.000 0.658 103 V HN 0.300 nan 8.190 nan 0.000 0.452 104 R N 0.365 120.814 120.500 -0.085 0.000 2.080 104 R HA -0.217 4.123 4.340 -0.000 0.000 0.236 104 R C 2.316 178.575 176.300 -0.069 0.000 1.137 104 R CA 1.992 58.026 56.100 -0.110 0.000 0.943 104 R CB -0.547 29.515 30.300 -0.398 0.000 0.846 104 R HN 0.469 nan 8.270 nan 0.000 0.431 105 A N 1.114 123.863 122.820 -0.119 0.000 1.908 105 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 105 A C 2.096 179.651 177.584 -0.048 0.000 1.181 105 A CA 1.426 53.406 52.037 -0.096 0.000 0.627 105 A CB -0.630 18.301 19.000 -0.115 0.000 0.818 105 A HN 0.410 nan 8.150 nan 0.000 0.445 106 L N -0.434 120.768 121.223 -0.034 0.000 2.017 106 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 106 L C 2.364 179.244 176.870 0.016 0.000 1.073 106 L CA 1.642 56.475 54.840 -0.010 0.000 0.745 106 L CB -0.407 41.649 42.059 -0.006 0.000 0.894 106 L HN 0.408 nan 8.230 nan 0.000 0.432 107 L N -1.118 120.130 121.223 0.042 0.000 2.046 107 L HA -0.254 4.086 4.340 -0.000 0.000 0.208 107 L C 2.639 179.559 176.870 0.083 0.000 1.077 107 L CA 1.358 56.244 54.840 0.076 0.000 0.747 107 L CB -0.567 41.570 42.059 0.131 0.000 0.896 107 L HN 0.382 nan 8.230 nan 0.000 0.432 108 Q N -0.590 119.270 119.800 0.100 0.000 2.096 108 Q HA -0.250 4.090 4.340 -0.000 0.000 0.204 108 Q C 2.345 178.338 176.000 -0.011 0.000 0.982 108 Q CA 1.789 57.643 55.803 0.085 0.000 0.850 108 Q CB -0.160 28.626 28.738 0.079 0.000 0.901 108 Q HN 0.526 nan 8.270 nan 0.000 0.422 109 M N -0.357 119.221 119.600 -0.036 0.000 2.117 109 M HA -0.182 4.298 4.480 -0.000 0.000 0.262 109 M C 2.359 178.631 176.300 -0.047 0.000 1.065 109 M CA 1.498 56.758 55.300 -0.068 0.000 1.114 109 M CB -0.354 32.225 32.600 -0.035 0.000 1.361 109 M HN 0.235 nan 8.290 nan 0.000 0.408 110 A N -0.054 122.766 122.820 -0.000 0.000 1.933 110 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 110 A C 2.244 179.828 177.584 -0.000 0.000 1.175 110 A CA 1.536 53.587 52.037 0.022 0.000 0.628 110 A CB -0.986 18.040 19.000 0.042 0.000 0.814 110 A HN 0.308 nan 8.150 nan 0.000 0.444 111 V N -0.416 119.492 119.914 -0.010 0.000 2.255 111 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 111 V C 2.552 178.609 176.094 -0.060 0.000 1.051 111 V CA 2.173 64.456 62.300 -0.029 0.000 1.018 111 V CB -0.918 30.903 31.823 -0.003 0.000 0.641 111 V HN 0.376 nan 8.190 nan 0.000 0.445 112 V N -0.406 119.427 119.914 -0.134 0.000 2.358 112 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 112 V C 2.263 178.270 176.094 -0.146 0.000 1.047 112 V CA 1.815 63.969 62.300 -0.243 0.000 1.035 112 V CB -0.498 30.966 31.823 -0.598 0.000 0.658 112 V HN 0.435 nan 8.190 nan 0.000 0.452 113 L N -0.518 120.631 121.223 -0.123 0.000 2.093 113 L HA -0.130 4.209 4.340 -0.000 0.000 0.208 113 L C 2.605 179.417 176.870 -0.097 0.000 1.085 113 L CA 1.695 56.461 54.840 -0.123 0.000 0.755 113 L CB -0.865 41.164 42.059 -0.051 0.000 0.904 113 L HN 0.325 nan 8.230 nan 0.000 0.435 114 T N -1.378 113.159 114.554 -0.028 0.000 2.777 114 T HA -0.243 4.107 4.350 -0.000 0.000 0.266 114 T C 1.697 176.379 174.700 -0.031 0.000 1.040 114 T CA 1.361 63.456 62.100 -0.009 0.000 1.141 114 T CB -0.328 68.550 68.868 0.017 0.000 0.868 114 T HN 0.295 nan 8.240 nan 0.000 0.444 115 Y N 1.602 121.841 120.300 -0.101 0.000 2.145 115 Y HA -0.010 4.539 4.550 -0.000 0.000 0.286 115 Y C 2.531 178.382 175.900 -0.082 0.000 1.145 115 Y CA 1.424 59.469 58.100 -0.091 0.000 1.148 115 Y CB -0.601 37.791 38.460 -0.113 0.000 0.981 115 Y HN 0.200 nan 8.280 nan 0.000 0.507 116 G N -0.744 108.009 108.800 -0.079 0.000 2.403 116 G HA2 -0.153 3.806 3.960 -0.000 0.000 0.216 116 G HA3 -0.153 3.806 3.960 -0.000 0.000 0.216 116 G C 1.720 176.506 174.900 -0.189 0.000 1.154 116 G CA 0.608 45.633 45.100 -0.126 0.000 0.784 116 G HN 0.543 nan 8.290 nan 0.000 0.538 117 A N -0.169 122.528 122.820 -0.206 0.000 2.014 117 A HA 0.311 4.631 4.320 -0.000 0.000 0.218 117 A C 1.815 179.332 177.584 -0.113 0.000 1.163 117 A CA 1.503 53.433 52.037 -0.178 0.000 0.652 117 A CB -0.268 18.600 19.000 -0.220 0.000 0.808 117 A HN 0.736 nan 8.150 nan 0.000 0.449 118 S N -1.649 113.956 115.700 -0.160 0.000 3.635 118 S HA -0.173 4.297 4.470 -0.000 0.000 0.328 118 S C -0.054 174.508 174.600 -0.063 0.000 1.135 118 S CA 1.348 59.460 58.200 -0.146 0.000 0.942 118 S CB -2.152 60.961 63.200 -0.145 0.000 0.930 118 S HN 1.320 nan 8.310 nan 0.000 0.512 119 M N -3.298 116.285 119.600 -0.030 0.000 2.732 119 M HA 0.669 5.148 4.480 -0.000 0.000 0.272 119 M C -3.435 172.892 176.300 0.045 0.000 1.203 119 M CA -2.181 53.129 55.300 0.017 0.000 0.841 119 M CB 1.024 33.651 32.600 0.045 0.000 1.685 119 M HN -0.214 nan 8.290 nan 0.000 0.492 120 P HA 0.274 nan 4.420 nan 0.000 0.269 120 P C -1.104 176.265 177.300 0.115 0.000 1.215 120 P CA -0.363 62.778 63.100 0.068 0.000 0.780 120 P CB 0.597 32.332 31.700 0.057 0.000 0.898 121 V N 3.070 123.052 119.914 0.114 0.000 2.448 121 V HA 0.199 4.319 4.120 -0.000 0.000 0.295 121 V C 0.048 176.212 176.094 0.118 0.000 1.025 121 V CA -0.720 61.674 62.300 0.158 0.000 0.859 121 V CB 2.055 33.978 31.823 0.167 0.000 0.988 121 V HN 0.209 nan 8.190 nan 0.000 0.431 122 V N 5.747 125.722 119.914 0.101 0.000 2.408 122 V HA 0.303 4.423 4.120 -0.000 0.000 0.267 122 V C 0.228 176.376 176.094 0.089 0.000 1.047 122 V CA -0.624 61.730 62.300 0.089 0.000 0.937 122 V CB 1.009 32.840 31.823 0.013 0.000 0.999 122 V HN 0.809 nan 8.190 nan 0.000 0.472 123 K N 4.571 125.058 120.400 0.146 0.000 2.292 123 K HA 0.616 4.936 4.320 -0.000 0.000 0.270 123 K C -1.106 175.584 176.600 0.150 0.000 1.062 123 K CA -0.410 55.941 56.287 0.108 0.000 0.916 123 K CB 1.670 34.214 32.500 0.074 0.000 1.166 123 K HN 0.448 nan 8.250 nan 0.000 0.458 124 V N 2.430 122.394 119.914 0.083 0.000 2.444 124 V HA 0.462 4.582 4.120 -0.000 0.000 0.294 124 V C -0.153 175.971 176.094 0.050 0.000 1.022 124 V CA -1.015 61.347 62.300 0.103 0.000 0.850 124 V CB 1.462 33.312 31.823 0.044 0.000 0.992 124 V HN 0.865 nan 8.190 nan 0.000 0.426 125 A N 4.927 127.803 122.820 0.092 0.000 2.293 125 A HA 0.698 5.018 4.320 -0.000 0.000 0.302 125 A C 0.268 177.925 177.584 0.122 0.000 1.119 125 A CA -0.673 51.408 52.037 0.074 0.000 0.823 125 A CB 0.490 19.529 19.000 0.066 0.000 1.097 125 A HN 0.841 nan 8.150 nan 0.000 0.491 126 R N 1.015 121.590 120.500 0.126 0.000 2.608 126 R HA 0.535 4.874 4.340 -0.000 0.000 0.277 126 R C -0.790 175.586 176.300 0.127 0.000 1.341 126 R CA 0.382 56.608 56.100 0.210 0.000 1.199 126 R CB -0.160 30.300 30.300 0.267 0.000 1.156 126 R HN 0.674 nan 8.270 nan 0.000 0.558 127 I N -0.540 120.105 120.570 0.124 0.000 3.149 127 I HA 0.329 4.499 4.170 -0.000 0.000 0.310 127 I C -0.643 175.521 176.117 0.078 0.000 1.343 127 I CA -0.627 60.710 61.300 0.062 0.000 0.955 127 I CB 1.956 39.995 38.000 0.065 0.000 1.309 127 I HN 0.614 nan 8.210 nan 0.000 0.478 128 A N 3.247 126.093 122.820 0.043 0.000 2.791 128 A HA 0.011 4.331 4.320 -0.000 0.000 0.292 128 A C 0.796 178.439 177.584 0.099 0.000 1.487 128 A CA 1.424 53.523 52.037 0.102 0.000 0.760 128 A CB -2.219 16.855 19.000 0.122 0.000 1.031 128 A HN 2.050 nan 8.150 nan 0.000 0.503 129 G N -2.219 106.519 108.800 -0.102 0.000 3.987 129 G HA2 0.228 4.188 3.960 -0.000 0.000 0.220 129 G HA3 0.228 4.188 3.960 -0.000 0.000 0.220 129 G C 0.075 174.658 174.900 -0.529 0.000 0.871 129 G CA 0.678 45.611 45.100 -0.279 0.000 0.881 129 G HN 1.312 nan 8.290 nan 0.000 0.674 130 Q N 0.944 120.473 119.800 -0.451 0.000 3.026 130 Q HA 0.504 4.844 4.340 -0.000 0.000 0.258 130 Q C -0.084 175.665 176.000 -0.419 0.000 1.388 130 Q CA -0.237 55.403 55.803 -0.272 0.000 1.000 130 Q CB -0.877 27.822 28.738 -0.066 0.000 1.634 130 Q HN 0.620 nan 8.270 nan 0.000 0.571 131 Y N -0.217 119.992 120.300 -0.151 0.000 2.588 131 Y HA 0.568 5.118 4.550 -0.000 0.000 0.247 131 Y C 0.143 175.910 175.900 -0.223 0.000 1.157 131 Y CA -0.358 57.640 58.100 -0.170 0.000 1.215 131 Y CB 1.233 39.605 38.460 -0.146 0.000 1.245 131 Y HN 0.421 nan 8.280 nan 0.000 0.534 132 A N 1.444 124.204 122.820 -0.100 0.000 2.408 132 A HA 0.703 5.022 4.320 -0.000 0.000 0.295 132 A C -1.097 176.403 177.584 -0.141 0.000 1.040 132 A CA -0.812 51.138 52.037 -0.146 0.000 0.707 132 A CB 1.042 19.967 19.000 -0.126 0.000 1.235 132 A HN 0.260 nan 8.150 nan 0.000 0.418 133 K N 2.440 122.734 120.400 -0.177 0.000 2.375 133 K HA 0.825 5.145 4.320 -0.000 0.000 0.249 133 K C -3.083 173.443 176.600 -0.124 0.000 0.942 133 K CA -1.967 54.245 56.287 -0.125 0.000 0.806 133 K CB 2.613 35.055 32.500 -0.097 0.000 1.227 133 K HN 0.362 nan 8.250 nan 0.000 0.430 134 P HA 0.210 nan 4.420 nan 0.000 0.274 134 P C -1.007 176.265 177.300 -0.046 0.000 1.237 134 P CA -0.563 62.492 63.100 -0.074 0.000 0.793 134 P CB 0.669 32.329 31.700 -0.067 0.000 0.977 135 R N 0.534 121.014 120.500 -0.034 0.000 2.673 135 R HA 0.268 4.607 4.340 -0.000 0.000 0.281 135 R C 1.238 177.538 176.300 -0.000 0.000 0.991 135 R CA -0.598 55.498 56.100 -0.006 0.000 0.896 135 R CB 1.478 31.778 30.300 0.001 0.000 1.201 135 R HN 0.533 nan 8.270 nan 0.000 0.457 136 S N 0.016 115.723 115.700 0.012 0.000 2.436 136 S HA 0.093 4.563 4.470 -0.000 0.000 0.228 136 S C 0.945 175.553 174.600 0.013 0.000 1.014 136 S CA 0.357 58.565 58.200 0.012 0.000 0.950 136 S CB 0.233 63.444 63.200 0.019 0.000 0.784 136 S HN 0.640 nan 8.310 nan 0.000 0.504 137 A N 1.308 124.138 122.820 0.017 0.000 2.340 137 A HA 0.611 4.931 4.320 -0.000 0.000 0.331 137 A C 0.132 177.727 177.584 0.017 0.000 1.140 137 A CA -0.679 51.367 52.037 0.016 0.000 0.801 137 A CB 0.859 19.870 19.000 0.018 0.000 1.234 137 A HN 0.054 nan 8.150 nan 0.000 0.469 138 D N 0.335 120.743 120.400 0.013 0.000 2.194 138 D HA 0.034 4.674 4.640 -0.000 0.000 0.204 138 D C 0.340 176.651 176.300 0.018 0.000 0.964 138 D CA 1.394 55.403 54.000 0.014 0.000 0.846 138 D CB 0.129 40.929 40.800 0.000 0.000 0.962 138 D HN 0.355 nan 8.370 nan 0.000 0.490 139 I N 2.096 122.674 120.570 0.013 0.000 2.465 139 I HA 0.148 4.318 4.170 -0.000 0.000 0.291 139 I C 0.136 176.261 176.117 0.013 0.000 1.014 139 I CA -1.071 60.235 61.300 0.010 0.000 1.093 139 I CB 1.817 39.817 38.000 0.001 0.000 1.267 139 I HN -0.147 nan 8.210 nan 0.000 0.431 140 D N 4.905 125.313 120.400 0.013 0.000 2.507 140 D HA 0.359 4.999 4.640 -0.000 0.000 0.280 140 D C 1.085 177.385 176.300 -0.001 0.000 1.219 140 D CA -0.460 53.548 54.000 0.013 0.000 1.085 140 D CB 0.527 41.339 40.800 0.021 0.000 1.134 140 D HN 0.447 nan 8.370 nan 0.000 0.583 141 A N -0.800 122.018 122.820 -0.004 0.000 2.024 141 A HA -0.068 4.252 4.320 -0.000 0.000 0.220 141 A C 2.142 179.710 177.584 -0.026 0.000 1.164 141 A CA 1.069 53.096 52.037 -0.016 0.000 0.643 141 A CB -0.864 18.124 19.000 -0.021 0.000 0.806 141 A HN 0.533 nan 8.150 nan 0.000 0.451 142 L N -1.577 119.626 121.223 -0.033 0.000 2.592 142 L HA 0.228 4.567 4.340 -0.000 0.000 0.227 142 L C 1.602 178.453 176.870 -0.032 0.000 1.127 142 L CA 0.487 55.303 54.840 -0.040 0.000 0.884 142 L CB -0.391 41.632 42.059 -0.059 0.000 1.065 142 L HN 0.562 nan 8.230 nan 0.000 0.457 143 G N 0.778 109.564 108.800 -0.023 0.000 2.159 143 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.256 143 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.256 143 G C 0.126 175.016 174.900 -0.016 0.000 0.977 143 G CA -0.051 45.039 45.100 -0.018 0.000 0.652 143 G HN 0.245 nan 8.290 nan 0.000 0.531 144 L N 0.046 121.259 121.223 -0.017 0.000 2.399 144 L HA 0.538 4.878 4.340 -0.000 0.000 0.265 144 L C 1.400 178.274 176.870 0.007 0.000 1.089 144 L CA -1.165 53.668 54.840 -0.012 0.000 0.802 144 L CB 0.701 42.744 42.059 -0.026 0.000 1.180 144 L HN 0.054 nan 8.230 nan 0.000 0.454 145 R N 1.064 121.574 120.500 0.018 0.000 2.502 145 R HA 0.062 4.401 4.340 -0.000 0.000 0.292 145 R C -0.141 176.205 176.300 0.076 0.000 0.998 145 R CA -0.207 55.917 56.100 0.041 0.000 1.056 145 R CB 0.170 30.497 30.300 0.044 0.000 0.939 145 R HN 0.591 nan 8.270 nan 0.000 0.411 146 S N 2.742 118.490 115.700 0.079 0.000 2.558 146 S HA -0.128 4.342 4.470 -0.000 0.000 0.291 146 S C -0.118 174.573 174.600 0.150 0.000 1.306 146 S CA -0.208 58.051 58.200 0.098 0.000 1.056 146 S CB 0.191 63.434 63.200 0.071 0.000 0.836 146 S HN 0.458 nan 8.310 nan 0.000 0.504 147 Y N 2.603 122.916 120.300 0.022 0.000 2.544 147 Y HA 0.089 4.639 4.550 -0.000 0.000 0.330 147 Y C 1.230 177.140 175.900 0.017 0.000 1.136 147 Y CA 0.037 58.156 58.100 0.032 0.000 1.417 147 Y CB 0.237 38.750 38.460 0.088 0.000 1.229 147 Y HN 0.614 nan 8.280 nan 0.000 0.532 148 R N 4.254 124.463 120.500 -0.484 0.000 2.565 148 R HA 0.305 4.645 4.340 -0.000 0.000 0.347 148 R C -0.144 175.762 176.300 -0.656 0.000 1.010 148 R CA 0.223 56.028 56.100 -0.491 0.000 1.126 148 R CB 0.737 30.832 30.300 -0.342 0.000 1.331 148 R HN 0.958 nan 8.270 nan 0.000 0.552 149 G N 0.953 109.004 108.800 -1.247 0.000 2.650 149 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.686 149 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.686 149 G C -0.489 174.196 174.900 -0.359 0.000 1.205 149 G CA -0.824 43.825 45.100 -0.751 0.000 0.781 149 G HN 0.078 nan 8.290 nan 0.000 0.648 150 D N 0.267 120.537 120.400 -0.218 0.000 2.351 150 D HA -0.075 4.565 4.640 -0.000 0.000 0.216 150 D C 2.351 178.413 176.300 -0.395 0.000 0.968 150 D CA 1.194 54.927 54.000 -0.445 0.000 0.899 150 D CB 0.030 40.096 40.800 -1.222 0.000 0.907 150 D HN 0.486 nan 8.370 nan 0.000 0.514 151 M N -0.535 118.956 119.600 -0.182 0.000 2.557 151 M HA -0.011 4.469 4.480 -0.000 0.000 0.259 151 M C 1.059 177.417 176.300 0.097 0.000 1.086 151 M CA 1.028 56.322 55.300 -0.010 0.000 1.096 151 M CB 0.292 32.856 32.600 -0.059 0.000 1.424 151 M HN -0.030 nan 8.290 nan 0.000 0.488 152 I N -0.625 119.934 120.570 -0.017 0.000 3.570 152 I HA 0.076 4.246 4.170 -0.000 0.000 0.270 152 I C 0.235 176.352 176.117 0.001 0.000 1.162 152 I CA -0.150 61.118 61.300 -0.053 0.000 1.413 152 I CB 0.309 38.062 38.000 -0.412 0.000 1.437 152 I HN 0.303 nan 8.210 nan 0.000 0.457 153 N N 0.426 119.114 118.700 -0.020 0.000 3.204 153 N HA 0.375 5.115 4.740 -0.000 0.000 0.285 153 N C -0.542 175.099 175.510 0.219 0.000 1.536 153 N CA -0.491 52.628 53.050 0.114 0.000 0.832 153 N CB 0.457 39.028 38.487 0.140 0.000 1.645 153 N HN -0.023 nan 8.380 nan 0.000 0.586 154 G N -1.365 107.562 108.800 0.210 0.000 2.412 154 G HA2 0.384 4.344 3.960 -0.000 0.000 0.318 154 G HA3 0.384 4.344 3.960 -0.000 0.000 0.318 154 G C -0.388 174.549 174.900 0.063 0.000 1.146 154 G CA -0.705 44.497 45.100 0.171 0.000 0.882 154 G HN 0.470 nan 8.290 nan 0.000 0.501 155 F N 2.317 122.019 119.950 -0.413 0.000 2.293 155 F HA 0.229 4.756 4.527 -0.000 0.000 0.300 155 F C 1.980 177.570 175.800 -0.350 0.000 1.086 155 F CA 0.522 58.036 58.000 -0.809 0.000 1.375 155 F CB -0.053 38.479 39.000 -0.780 0.000 1.045 155 F HN 0.495 nan 8.300 nan 0.000 0.516 156 A N 2.110 124.803 122.820 -0.213 0.000 2.565 156 A HA 0.112 4.431 4.320 -0.000 0.000 0.237 156 A C -2.034 175.379 177.584 -0.285 0.000 1.053 156 A CA -0.675 51.226 52.037 -0.226 0.000 0.755 156 A CB -0.889 18.061 19.000 -0.082 0.000 0.980 156 A HN 0.233 nan 8.150 nan 0.000 0.506 157 P HA 0.136 nan 4.420 nan 0.000 0.230 157 P C -1.121 176.106 177.300 -0.122 0.000 1.791 157 P CA 0.243 63.211 63.100 -0.220 0.000 1.020 157 P CB -0.428 31.143 31.700 -0.214 0.000 1.977 158 D N -0.483 119.862 120.400 -0.092 0.000 2.602 158 D HA 0.246 4.885 4.640 -0.000 0.000 0.236 158 D C 0.449 176.732 176.300 -0.028 0.000 1.209 158 D CA -0.868 53.101 54.000 -0.052 0.000 0.831 158 D CB 1.575 42.349 40.800 -0.043 0.000 1.478 158 D HN -0.069 nan 8.370 nan 0.000 0.438 159 A N 1.468 124.278 122.820 -0.017 0.000 1.865 159 A HA -0.050 4.269 4.320 -0.000 0.000 0.217 159 A C 2.227 179.819 177.584 0.014 0.000 1.191 159 A CA 2.863 54.899 52.037 -0.002 0.000 0.623 159 A CB -1.140 17.858 19.000 -0.004 0.000 0.826 159 A HN 0.780 nan 8.150 nan 0.000 0.444 160 A N -0.322 122.505 122.820 0.011 0.000 1.908 160 A HA 0.128 4.447 4.320 -0.000 0.000 0.218 160 A C 2.478 180.086 177.584 0.041 0.000 1.181 160 A CA 2.207 54.258 52.037 0.024 0.000 0.627 160 A CB -1.008 18.002 19.000 0.015 0.000 0.818 160 A HN 1.184 nan 8.150 nan 0.000 0.445 161 A N -0.876 121.961 122.820 0.028 0.000 2.019 161 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 161 A C 2.052 179.682 177.584 0.078 0.000 1.164 161 A CA 1.199 53.260 52.037 0.040 0.000 0.644 161 A CB -0.289 18.713 19.000 0.003 0.000 0.805 161 A HN 0.393 nan 8.150 nan 0.000 0.449 162 R N 0.387 120.934 120.500 0.078 0.000 2.300 162 R HA 0.116 4.456 4.340 -0.000 0.000 0.199 162 R C -0.311 176.101 176.300 0.186 0.000 0.920 162 R CA -0.076 56.101 56.100 0.129 0.000 1.046 162 R CB -0.136 30.220 30.300 0.094 0.000 0.984 162 R HN 0.484 nan 8.270 nan 0.000 0.493 163 E N 1.644 121.930 120.200 0.143 0.000 2.502 163 E HA -0.065 4.284 4.350 -0.000 0.000 0.261 163 E C -0.233 176.547 176.600 0.299 0.000 0.974 163 E CA 0.516 57.011 56.400 0.159 0.000 0.936 163 E CB 0.307 30.076 29.700 0.115 0.000 0.926 163 E HN 0.290 nan 8.360 nan 0.000 0.459 164 H N 2.207 121.341 119.070 0.106 0.000 2.955 164 H HA 0.024 4.580 4.556 -0.000 0.000 0.290 164 H C -0.206 175.352 175.328 0.382 0.000 1.047 164 H CA -0.257 55.897 56.048 0.177 0.000 1.484 164 H CB 0.599 30.364 29.762 0.006 0.000 1.501 164 H HN 0.224 nan 8.280 nan 0.000 0.521 165 D N 5.791 126.512 120.400 0.534 0.000 2.453 165 D HA 0.131 4.771 4.640 -0.000 0.000 0.238 165 D C -1.850 174.569 176.300 0.197 0.000 1.088 165 D CA -2.722 51.485 54.000 0.345 0.000 0.854 165 D CB 1.724 42.649 40.800 0.209 0.000 1.076 165 D HN 0.225 nan 8.370 nan 0.000 0.533 166 P HA -0.123 nan 4.420 nan 0.000 0.222 166 P C 1.247 178.284 177.300 -0.438 0.000 1.147 166 P CA 0.761 63.280 63.100 -0.969 0.000 0.790 166 P CB 0.032 31.129 31.700 -1.004 0.000 0.780 167 S N -0.213 115.381 115.700 -0.175 0.000 2.469 167 S HA -0.114 4.356 4.470 -0.000 0.000 0.238 167 S C 1.911 176.503 174.600 -0.014 0.000 0.998 167 S CA 0.549 58.702 58.200 -0.079 0.000 0.957 167 S CB -0.955 62.235 63.200 -0.017 0.000 0.764 167 S HN 0.122 nan 8.310 nan 0.000 0.514 168 R N 0.464 120.983 120.500 0.031 0.000 2.237 168 R HA 0.197 4.537 4.340 -0.000 0.000 0.219 168 R C 1.950 178.318 176.300 0.112 0.000 1.080 168 R CA 0.906 57.091 56.100 0.142 0.000 0.995 168 R CB -0.566 29.864 30.300 0.218 0.000 0.875 168 R HN 0.443 nan 8.270 nan 0.000 0.462 169 L N -0.269 120.968 121.223 0.022 0.000 2.046 169 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 169 L C 2.208 179.178 176.870 0.168 0.000 1.077 169 L CA 1.165 56.071 54.840 0.109 0.000 0.747 169 L CB -0.389 41.704 42.059 0.057 0.000 0.896 169 L HN 0.008 nan 8.230 nan 0.000 0.432 170 V N -0.627 119.334 119.914 0.077 0.000 2.407 170 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 170 V C 2.568 178.696 176.094 0.058 0.000 1.041 170 V CA 1.381 63.740 62.300 0.098 0.000 1.040 170 V CB -0.508 31.332 31.823 0.029 0.000 0.671 170 V HN 0.331 nan 8.190 nan 0.000 0.455 171 R N 0.520 120.994 120.500 -0.044 0.000 2.103 171 R HA -0.167 4.172 4.340 -0.000 0.000 0.242 171 R C 2.386 178.380 176.300 -0.510 0.000 1.142 171 R CA 1.677 57.609 56.100 -0.279 0.000 0.960 171 R CB -0.685 29.449 30.300 -0.276 0.000 0.858 171 R HN 0.543 nan 8.270 nan 0.000 0.439 172 A N -0.039 122.655 122.820 -0.210 0.000 1.933 172 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 172 A C 1.989 179.525 177.584 -0.080 0.000 1.175 172 A CA 1.316 53.221 52.037 -0.220 0.000 0.628 172 A CB -0.717 18.225 19.000 -0.096 0.000 0.814 172 A HN 0.508 nan 8.150 nan 0.000 0.444 173 Y N 0.729 121.063 120.300 0.057 0.000 2.181 173 Y HA -0.074 4.476 4.550 -0.000 0.000 0.288 173 Y C 2.555 178.465 175.900 0.017 0.000 1.146 173 Y CA 1.245 59.434 58.100 0.148 0.000 1.164 173 Y CB -0.632 37.912 38.460 0.140 0.000 0.982 173 Y HN 0.284 nan 8.280 nan 0.000 0.515 174 A N 0.658 123.286 122.820 -0.319 0.000 1.898 174 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 174 A C 2.162 179.532 177.584 -0.357 0.000 1.181 174 A CA 1.749 53.554 52.037 -0.386 0.000 0.620 174 A CB -0.807 18.082 19.000 -0.184 0.000 0.819 174 A HN 0.646 nan 8.150 nan 0.000 0.442 175 N N 0.230 118.712 118.700 -0.364 0.000 2.142 175 N HA -0.107 4.633 4.740 -0.000 0.000 0.186 175 N C 2.018 177.495 175.510 -0.055 0.000 1.023 175 N CA 1.311 54.211 53.050 -0.249 0.000 0.852 175 N CB -0.306 37.925 38.487 -0.426 0.000 0.998 175 N HN 0.470 nan 8.380 nan 0.000 0.424 176 A N 1.262 124.070 122.820 -0.019 0.000 1.877 176 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 176 A C 2.448 180.000 177.584 -0.054 0.000 1.186 176 A CA 2.219 54.307 52.037 0.085 0.000 0.620 176 A CB -0.810 18.292 19.000 0.169 0.000 0.822 176 A HN 0.464 nan 8.150 nan 0.000 0.443 177 S N -0.152 115.390 115.700 -0.263 0.000 2.428 177 S HA 0.157 4.627 4.470 -0.000 0.000 0.230 177 S C 2.007 176.528 174.600 -0.132 0.000 1.014 177 S CA 1.167 59.226 58.200 -0.235 0.000 0.957 177 S CB -0.481 62.440 63.200 -0.465 0.000 0.784 177 S HN 0.858 nan 8.310 nan 0.000 0.499 178 A N 1.822 124.560 122.820 -0.136 0.000 1.930 178 A HA 0.411 4.731 4.320 -0.000 0.000 0.217 178 A C 2.493 180.067 177.584 -0.017 0.000 1.175 178 A CA 1.447 53.443 52.037 -0.068 0.000 0.627 178 A CB -1.320 17.636 19.000 -0.073 0.000 0.815 178 A HN 0.830 nan 8.150 nan 0.000 0.443 179 A N -1.131 121.694 122.820 0.007 0.000 1.897 179 A HA -0.037 4.282 4.320 -0.000 0.000 0.215 179 A C 2.133 179.739 177.584 0.037 0.000 1.181 179 A CA 2.034 54.097 52.037 0.043 0.000 0.620 179 A CB -0.450 18.602 19.000 0.086 0.000 0.821 179 A HN 0.467 nan 8.150 nan 0.000 0.443 180 M N 0.449 120.069 119.600 0.033 0.000 2.117 180 M HA -0.120 4.360 4.480 -0.000 0.000 0.262 180 M C 1.739 178.057 176.300 0.030 0.000 1.065 180 M CA 1.973 57.299 55.300 0.043 0.000 1.114 180 M CB -0.831 31.796 32.600 0.044 0.000 1.361 180 M HN 0.534 nan 8.290 nan 0.000 0.408 181 N N -0.214 118.494 118.700 0.013 0.000 2.061 181 N HA -0.195 4.545 4.740 -0.000 0.000 0.193 181 N C 1.524 177.043 175.510 0.014 0.000 1.030 181 N CA 1.709 54.765 53.050 0.010 0.000 0.856 181 N CB -0.399 38.087 38.487 -0.001 0.000 1.023 181 N HN 0.352 nan 8.380 nan 0.000 0.424 182 L N 0.337 121.569 121.223 0.015 0.000 2.046 182 L HA -0.049 4.291 4.340 -0.000 0.000 0.208 182 L C 2.363 179.244 176.870 0.019 0.000 1.077 182 L CA 1.545 56.395 54.840 0.017 0.000 0.747 182 L CB -0.965 41.106 42.059 0.020 0.000 0.896 182 L HN 0.314 nan 8.230 nan 0.000 0.432 183 V N -1.561 118.366 119.914 0.023 0.000 2.626 183 V HA -0.214 3.905 4.120 -0.000 0.000 0.252 183 V C 2.563 178.663 176.094 0.011 0.000 1.067 183 V CA 1.618 63.929 62.300 0.019 0.000 1.081 183 V CB -0.564 31.274 31.823 0.024 0.000 0.686 183 V HN 0.520 nan 8.190 nan 0.000 0.468 184 R N 0.753 121.261 120.500 0.014 0.000 2.066 184 R HA 0.087 4.427 4.340 -0.000 0.000 0.232 184 R C 2.633 178.936 176.300 0.005 0.000 1.131 184 R CA 1.504 57.607 56.100 0.005 0.000 0.955 184 R CB -0.791 29.517 30.300 0.014 0.000 0.851 184 R HN 0.616 nan 8.270 nan 0.000 0.432 185 A N 1.336 124.162 122.820 0.011 0.000 1.883 185 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 185 A C 2.189 179.783 177.584 0.017 0.000 1.186 185 A CA 1.277 53.322 52.037 0.013 0.000 0.624 185 A CB -0.601 18.407 19.000 0.014 0.000 0.822 185 A HN 0.172 nan 8.150 nan 0.000 0.444 186 L N -0.227 121.009 121.223 0.021 0.000 2.056 186 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 186 L C 2.982 179.872 176.870 0.033 0.000 1.078 186 L CA 1.841 56.700 54.840 0.032 0.000 0.749 186 L CB -0.830 41.248 42.059 0.033 0.000 0.901 186 L HN 0.649 nan 8.230 nan 0.000 0.433 187 T N -3.991 110.573 114.554 0.017 0.000 2.995 187 T HA -0.103 4.247 4.350 -0.000 0.000 0.269 187 T C 1.760 176.463 174.700 0.005 0.000 1.091 187 T CA 1.054 63.160 62.100 0.009 0.000 1.128 187 T CB -0.298 68.559 68.868 -0.018 0.000 0.891 187 T HN 0.402 nan 8.240 nan 0.000 0.492 188 S N 1.044 116.746 115.700 0.004 0.000 2.556 188 S HA 0.190 4.660 4.470 -0.000 0.000 0.216 188 S C 1.614 176.220 174.600 0.010 0.000 0.970 188 S CA 0.170 58.371 58.200 0.002 0.000 0.912 188 S CB -0.161 63.038 63.200 -0.002 0.000 0.790 188 S HN 0.630 nan 8.310 nan 0.000 0.504 189 S N -1.174 114.537 115.700 0.018 0.000 2.819 189 S HA 0.650 5.120 4.470 -0.000 0.000 0.249 189 S C 1.108 175.725 174.600 0.028 0.000 1.030 189 S CA 0.186 58.398 58.200 0.020 0.000 1.052 189 S CB 0.505 63.717 63.200 0.020 0.000 1.017 189 S HN 1.115 nan 8.310 nan 0.000 0.576 190 G N 1.010 109.831 108.800 0.035 0.000 2.738 190 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.195 190 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.195 190 G C 0.442 175.381 174.900 0.066 0.000 1.001 190 G CA 0.052 45.175 45.100 0.039 0.000 0.759 190 G HN 0.366 nan 8.290 nan 0.000 0.494 191 L N 1.748 123.029 121.223 0.097 0.000 2.275 191 L HA 0.601 4.941 4.340 -0.000 0.000 0.215 191 L C 2.402 179.372 176.870 0.167 0.000 1.119 191 L CA 2.608 57.555 54.840 0.178 0.000 0.790 191 L CB -0.054 42.103 42.059 0.163 0.000 0.919 191 L HN 0.559 nan 8.230 nan 0.000 0.443 192 A N -1.988 120.885 122.820 0.089 0.000 2.500 192 A HA 0.246 4.566 4.320 -0.000 0.000 0.267 192 A C 1.039 178.643 177.584 0.034 0.000 1.290 192 A CA -0.012 52.066 52.037 0.069 0.000 0.928 192 A CB -0.357 18.670 19.000 0.045 0.000 1.066 192 A HN 0.219 nan 8.150 nan 0.000 0.516 193 S N 0.491 116.202 115.700 0.018 0.000 2.515 193 S HA 0.141 4.611 4.470 -0.000 0.000 0.285 193 S C 1.331 175.924 174.600 -0.012 0.000 1.265 193 S CA -0.377 57.830 58.200 0.012 0.000 1.079 193 S CB -0.019 63.182 63.200 0.001 0.000 0.877 193 S HN 0.493 nan 8.310 nan 0.000 0.493 194 L N 6.321 127.549 121.223 0.009 0.000 2.051 194 L HA -0.137 4.202 4.340 -0.000 0.000 0.214 194 L C 1.735 178.525 176.870 -0.134 0.000 1.076 194 L CA 2.217 57.017 54.840 -0.068 0.000 0.758 194 L CB -0.989 41.003 42.059 -0.112 0.000 0.890 194 L HN 0.857 nan 8.230 nan 0.000 0.433 195 H N -2.071 116.954 119.070 -0.075 0.000 2.363 195 H HA -0.086 4.470 4.556 -0.000 0.000 0.301 195 H C 1.865 177.090 175.328 -0.172 0.000 1.074 195 H CA 1.578 57.580 56.048 -0.078 0.000 1.354 195 H CB -0.224 29.500 29.762 -0.064 0.000 1.397 195 H HN 0.300 nan 8.280 nan 0.000 0.516 196 L N 0.256 121.391 121.223 -0.147 0.000 2.056 196 L HA -0.114 4.226 4.340 -0.000 0.000 0.207 196 L C 1.949 178.287 176.870 -0.886 0.000 1.078 196 L CA 1.124 55.682 54.840 -0.471 0.000 0.749 196 L CB -0.459 41.349 42.059 -0.418 0.000 0.901 196 L HN 0.095 nan 8.230 nan 0.000 0.433 197 V N -0.797 118.780 119.914 -0.561 0.000 2.295 197 V HA -0.310 3.809 4.120 -0.000 0.000 0.246 197 V C 2.534 178.558 176.094 -0.116 0.000 1.049 197 V CA 2.021 64.107 62.300 -0.357 0.000 1.024 197 V CB -1.017 30.814 31.823 0.012 0.000 0.648 197 V HN 0.597 nan 8.190 nan 0.000 0.447 198 H N 0.446 119.409 119.070 -0.179 0.000 2.457 198 H HA -0.114 4.442 4.556 -0.000 0.000 0.294 198 H C 2.023 177.312 175.328 -0.067 0.000 1.064 198 H CA 1.468 57.465 56.048 -0.084 0.000 1.330 198 H CB -0.260 29.439 29.762 -0.104 0.000 1.395 198 H HN 0.398 nan 8.280 nan 0.000 0.541 199 D N -0.370 119.910 120.400 -0.200 0.000 2.133 199 D HA -0.208 4.432 4.640 -0.000 0.000 0.195 199 D C 1.880 178.116 176.300 -0.106 0.000 0.997 199 D CA 0.933 54.805 54.000 -0.212 0.000 0.840 199 D CB -0.372 40.270 40.800 -0.262 0.000 0.947 199 D HN 0.505 nan 8.370 nan 0.000 0.452 200 W N 1.380 122.678 121.300 -0.004 0.000 2.363 200 W HA -0.042 4.618 4.660 -0.000 0.000 0.296 200 W C 1.992 178.531 176.519 0.034 0.000 1.212 200 W CA 0.297 57.652 57.345 0.016 0.000 1.260 200 W CB -1.192 28.278 29.460 0.017 0.000 1.131 200 W HN 0.039 nan 8.180 nan 0.000 0.530 201 N N 0.360 119.176 118.700 0.195 0.000 2.149 201 N HA -0.146 4.593 4.740 -0.000 0.000 0.188 201 N C 1.774 177.363 175.510 0.131 0.000 1.019 201 N CA 1.290 54.444 53.050 0.173 0.000 0.857 201 N CB -0.652 37.872 38.487 0.062 0.000 0.997 201 N HN 0.243 nan 8.380 nan 0.000 0.426 202 R N 0.369 120.821 120.500 -0.080 0.000 2.090 202 R HA -0.048 4.292 4.340 -0.000 0.000 0.228 202 R C 1.804 178.125 176.300 0.034 0.000 1.110 202 R CA 0.800 56.864 56.100 -0.060 0.000 0.973 202 R CB -0.106 30.119 30.300 -0.126 0.000 0.869 202 R HN 0.150 nan 8.270 nan 0.000 0.440 203 E N 0.700 120.956 120.200 0.093 0.000 2.153 203 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 203 E C 1.460 178.145 176.600 0.143 0.000 0.988 203 E CA 1.093 57.563 56.400 0.117 0.000 0.811 203 E CB -0.220 29.583 29.700 0.173 0.000 0.746 203 E HN 0.268 nan 8.360 nan 0.000 0.466 204 F N -0.266 119.715 119.950 0.052 0.000 2.128 204 F HA -0.080 4.446 4.527 -0.000 0.000 0.295 204 F C 1.961 177.767 175.800 0.010 0.000 1.100 204 F CA 1.157 59.181 58.000 0.040 0.000 1.260 204 F CB -0.572 38.472 39.000 0.073 0.000 1.009 204 F HN -0.085 nan 8.300 nan 0.000 0.476 205 V N 1.885 121.691 119.914 -0.180 0.000 2.392 205 V HA -0.307 3.812 4.120 -0.000 0.000 0.249 205 V C 2.672 178.613 176.094 -0.256 0.000 1.059 205 V CA 2.323 64.426 62.300 -0.328 0.000 1.051 205 V CB -0.900 30.866 31.823 -0.096 0.000 0.658 205 V HN 0.448 nan 8.190 nan 0.000 0.455 206 R N 0.732 121.150 120.500 -0.138 0.000 2.066 206 R HA -0.157 4.183 4.340 -0.000 0.000 0.232 206 R C 2.233 178.460 176.300 -0.121 0.000 1.131 206 R CA 2.185 58.224 56.100 -0.101 0.000 0.955 206 R CB -0.441 29.832 30.300 -0.045 0.000 0.851 206 R HN 0.620 nan 8.270 nan 0.000 0.432 207 T N -2.016 112.464 114.554 -0.124 0.000 3.014 207 T HA 0.097 4.447 4.350 -0.000 0.000 0.250 207 T C 0.830 175.444 174.700 -0.143 0.000 1.060 207 T CA 0.136 62.176 62.100 -0.099 0.000 1.040 207 T CB 0.091 68.938 68.868 -0.035 0.000 0.971 207 T HN 0.237 nan 8.240 nan 0.000 0.497 208 S N 2.852 118.384 115.700 -0.281 0.000 2.576 208 S HA 0.278 4.747 4.470 -0.000 0.000 0.276 208 S C -1.073 173.389 174.600 -0.231 0.000 1.339 208 S CA -1.051 56.975 58.200 -0.290 0.000 1.039 208 S CB 1.180 64.000 63.200 -0.633 0.000 0.902 208 S HN 0.147 nan 8.310 nan 0.000 0.516 209 P HA 0.053 nan 4.420 nan 0.000 0.223 209 P C 1.089 178.307 177.300 -0.136 0.000 1.151 209 P CA 1.146 64.176 63.100 -0.116 0.000 0.787 209 P CB -0.198 31.458 31.700 -0.074 0.000 0.788 210 A N 0.263 122.994 122.820 -0.148 0.000 2.123 210 A HA 0.169 4.489 4.320 -0.000 0.000 0.214 210 A C 2.464 179.887 177.584 -0.268 0.000 1.152 210 A CA 1.115 53.060 52.037 -0.153 0.000 0.728 210 A CB -1.711 17.299 19.000 0.017 0.000 0.814 210 A HN 0.236 nan 8.150 nan 0.000 0.464 211 G N 0.648 109.241 108.800 -0.345 0.000 2.679 211 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.222 211 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.222 211 G C 1.810 176.532 174.900 -0.296 0.000 1.164 211 G CA 2.007 46.871 45.100 -0.393 0.000 0.769 211 G HN 0.956 nan 8.290 nan 0.000 0.610 212 A N 0.410 123.081 122.820 -0.248 0.000 1.915 212 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 212 A C 2.366 179.785 177.584 -0.274 0.000 1.198 212 A CA 2.324 54.235 52.037 -0.210 0.000 0.647 212 A CB -0.638 18.261 19.000 -0.168 0.000 0.825 212 A HN 0.423 nan 8.150 nan 0.000 0.456 213 R N -2.175 118.061 120.500 -0.441 0.000 2.127 213 R HA -0.172 4.168 4.340 -0.000 0.000 0.238 213 R C 0.885 176.789 176.300 -0.660 0.000 1.134 213 R CA 1.813 57.531 56.100 -0.637 0.000 0.975 213 R CB -0.192 29.515 30.300 -0.988 0.000 0.865 213 R HN 0.698 nan 8.270 nan 0.000 0.447 214 Y N -1.351 118.815 120.300 -0.223 0.000 2.481 214 Y HA 0.231 4.781 4.550 -0.000 0.000 0.247 214 Y C 2.124 177.902 175.900 -0.204 0.000 1.151 214 Y CA 0.364 58.276 58.100 -0.313 0.000 1.238 214 Y CB -0.214 37.739 38.460 -0.845 0.000 1.179 214 Y HN 0.157 nan 8.280 nan 0.000 0.524 215 E N 1.323 121.488 120.200 -0.058 0.000 2.070 215 E HA -0.219 4.131 4.350 -0.000 0.000 0.197 215 E C 2.370 178.993 176.600 0.038 0.000 1.004 215 E CA 1.777 58.166 56.400 -0.018 0.000 0.805 215 E CB -0.924 28.743 29.700 -0.053 0.000 0.744 215 E HN 0.476 nan 8.360 nan 0.000 0.451 216 A N 0.062 122.903 122.820 0.035 0.000 1.883 216 A HA 0.035 4.354 4.320 -0.000 0.000 0.217 216 A C 2.489 180.132 177.584 0.099 0.000 1.186 216 A CA 1.982 54.050 52.037 0.053 0.000 0.624 216 A CB -0.525 18.500 19.000 0.042 0.000 0.822 216 A HN 0.598 nan 8.150 nan 0.000 0.444 217 L N -0.399 120.928 121.223 0.174 0.000 2.056 217 L HA 0.027 4.367 4.340 -0.000 0.000 0.207 217 L C 2.709 179.712 176.870 0.221 0.000 1.078 217 L CA 2.097 57.076 54.840 0.231 0.000 0.749 217 L CB -0.951 41.350 42.059 0.404 0.000 0.901 217 L HN 0.354 nan 8.230 nan 0.000 0.433 218 A N -1.818 121.205 122.820 0.339 0.000 1.978 218 A HA -0.212 4.107 4.320 -0.000 0.000 0.220 218 A C 2.261 179.981 177.584 0.227 0.000 1.170 218 A CA 2.319 54.573 52.037 0.362 0.000 0.636 218 A CB -1.053 18.133 19.000 0.310 0.000 0.810 218 A HN 0.510 nan 8.150 nan 0.000 0.448 219 T N -1.010 113.612 114.554 0.113 0.000 2.851 219 T HA -0.070 4.280 4.350 -0.000 0.000 0.262 219 T C 1.856 176.552 174.700 -0.006 0.000 1.043 219 T CA 1.253 63.388 62.100 0.058 0.000 1.140 219 T CB -0.139 68.750 68.868 0.035 0.000 0.872 219 T HN 0.716 nan 8.240 nan 0.000 0.446 220 E N 0.709 120.885 120.200 -0.040 0.000 2.085 220 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 220 E C 2.040 178.412 176.600 -0.379 0.000 0.994 220 E CA 1.092 57.416 56.400 -0.127 0.000 0.801 220 E CB -0.208 29.460 29.700 -0.053 0.000 0.743 220 E HN 0.485 nan 8.360 nan 0.000 0.453 221 I N 0.760 121.024 120.570 -0.511 0.000 2.252 221 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 221 I C 2.266 178.115 176.117 -0.446 0.000 1.102 221 I CA 1.383 62.210 61.300 -0.788 0.000 1.385 221 I CB -0.369 37.201 38.000 -0.716 0.000 1.064 221 I HN 0.197 nan 8.210 nan 0.000 0.414 222 D N 1.081 121.402 120.400 -0.131 0.000 2.123 222 D HA -0.198 4.442 4.640 -0.000 0.000 0.196 222 D C 2.325 178.608 176.300 -0.028 0.000 0.992 222 D CA 1.519 55.527 54.000 0.013 0.000 0.833 222 D CB 0.074 40.963 40.800 0.147 0.000 0.954 222 D HN 0.111 nan 8.370 nan 0.000 0.455 223 R N -0.575 119.899 120.500 -0.043 0.000 2.115 223 R HA 0.050 4.390 4.340 -0.000 0.000 0.230 223 R C 2.428 178.740 176.300 0.019 0.000 1.111 223 R CA 1.073 57.165 56.100 -0.013 0.000 0.976 223 R CB -0.331 29.949 30.300 -0.034 0.000 0.870 223 R HN 0.232 nan 8.270 nan 0.000 0.445 224 G N 0.973 109.760 108.800 -0.022 0.000 2.404 224 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.215 224 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.215 224 G C 1.385 176.357 174.900 0.120 0.000 1.174 224 G CA 0.358 45.524 45.100 0.110 0.000 0.780 224 G HN 0.111 nan 8.290 nan 0.000 0.537 225 L N -0.127 121.082 121.223 -0.024 0.000 1.989 225 L HA -0.111 4.229 4.340 -0.000 0.000 0.211 225 L C 3.216 180.129 176.870 0.073 0.000 1.071 225 L CA 1.404 56.214 54.840 -0.051 0.000 0.749 225 L CB -0.311 41.631 42.059 -0.195 0.000 0.890 225 L HN 0.146 nan 8.230 nan 0.000 0.431 226 R N -1.001 119.560 120.500 0.102 0.000 2.105 226 R HA -0.230 4.110 4.340 -0.000 0.000 0.239 226 R C 2.301 178.718 176.300 0.193 0.000 1.135 226 R CA 1.811 57.996 56.100 0.142 0.000 0.967 226 R CB -0.633 29.734 30.300 0.112 0.000 0.861 226 R HN 0.290 nan 8.270 nan 0.000 0.442 227 F N 1.255 121.221 119.950 0.027 0.000 2.120 227 F HA -0.335 4.192 4.527 -0.000 0.000 0.300 227 F C 2.339 178.159 175.800 0.032 0.000 1.095 227 F CA 1.343 59.361 58.000 0.029 0.000 1.249 227 F CB -0.007 39.011 39.000 0.031 0.000 0.995 227 F HN -0.003 nan 8.300 nan 0.000 0.480 228 M N -0.478 119.136 119.600 0.024 0.000 2.080 228 M HA -0.257 4.223 4.480 -0.000 0.000 0.260 228 M C 2.253 178.534 176.300 -0.032 0.000 1.068 228 M CA 2.042 57.303 55.300 -0.066 0.000 1.109 228 M CB -0.547 32.057 32.600 0.007 0.000 1.342 228 M HN 0.078 nan 8.290 nan 0.000 0.405 229 S N 0.672 116.402 115.700 0.049 0.000 2.368 229 S HA -0.088 4.382 4.470 -0.000 0.000 0.225 229 S C 2.081 176.682 174.600 0.003 0.000 1.030 229 S CA 1.287 59.506 58.200 0.032 0.000 0.999 229 S CB -0.461 62.771 63.200 0.054 0.000 0.844 229 S HN 0.569 nan 8.310 nan 0.000 0.459 230 A N 0.219 123.052 122.820 0.022 0.000 1.972 230 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 230 A C 2.090 179.652 177.584 -0.037 0.000 1.169 230 A CA 1.298 53.353 52.037 0.030 0.000 0.635 230 A CB -0.955 18.122 19.000 0.128 0.000 0.810 230 A HN 0.615 nan 8.150 nan 0.000 0.446 231 C N -1.047 118.170 119.300 -0.140 0.000 2.626 231 C HA 0.436 4.896 4.460 -0.000 0.000 0.266 231 C C 1.935 176.861 174.990 -0.107 0.000 1.317 231 C CA 0.071 58.983 59.018 -0.176 0.000 1.716 231 C CB -1.284 26.245 27.740 -0.352 0.000 1.819 231 C HN 1.032 nan 8.230 nan 0.000 0.578 232 G N 1.245 110.003 108.800 -0.071 0.000 2.179 232 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.257 232 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.257 232 G C 0.133 175.005 174.900 -0.047 0.000 1.010 232 G CA 0.521 45.593 45.100 -0.046 0.000 0.736 232 G HN 0.936 nan 8.290 nan 0.000 0.513 233 V N -1.589 118.289 119.914 -0.060 0.000 2.470 233 V HA 0.732 4.852 4.120 -0.000 0.000 0.276 233 V C 1.115 177.193 176.094 -0.026 0.000 1.040 233 V CA -0.829 61.441 62.300 -0.049 0.000 1.008 233 V CB 0.550 32.335 31.823 -0.063 0.000 0.990 233 V HN 1.816 nan 8.190 nan 0.000 0.477 234 A N 4.013 126.820 122.820 -0.022 0.000 2.583 234 A HA 0.206 4.526 4.320 -0.000 0.000 0.249 234 A C 0.635 178.216 177.584 -0.005 0.000 1.035 234 A CA 0.662 52.691 52.037 -0.014 0.000 0.777 234 A CB -0.549 18.443 19.000 -0.014 0.000 0.942 234 A HN 1.283 nan 8.150 nan 0.000 0.516 235 D N 1.123 121.523 120.400 -0.001 0.000 2.650 235 D HA 0.140 4.780 4.640 -0.000 0.000 0.265 235 D C 1.008 177.316 176.300 0.013 0.000 1.339 235 D CA -0.420 53.589 54.000 0.014 0.000 0.816 235 D CB 0.122 40.940 40.800 0.030 0.000 1.091 235 D HN 0.597 nan 8.370 nan 0.000 0.483 236 R N 0.805 121.307 120.500 0.005 0.000 2.091 236 R HA -0.177 4.163 4.340 -0.000 0.000 0.238 236 R C 1.339 177.645 176.300 0.010 0.000 1.136 236 R CA 1.418 57.521 56.100 0.005 0.000 0.959 236 R CB -0.216 30.084 30.300 0.001 0.000 0.856 236 R HN 0.081 nan 8.270 nan 0.000 0.437 237 N N 0.045 118.751 118.700 0.011 0.000 2.443 237 N HA -0.073 4.667 4.740 -0.000 0.000 0.184 237 N C 1.085 176.606 175.510 0.019 0.000 1.037 237 N CA 0.781 53.838 53.050 0.012 0.000 0.896 237 N CB 0.059 38.552 38.487 0.009 0.000 0.959 237 N HN 0.305 nan 8.380 nan 0.000 0.442 238 L N -0.402 120.840 121.223 0.032 0.000 2.558 238 L HA 0.084 4.424 4.340 -0.000 0.000 0.225 238 L C 1.365 178.269 176.870 0.056 0.000 1.128 238 L CA 0.280 55.150 54.840 0.050 0.000 0.868 238 L CB -0.012 42.107 42.059 0.101 0.000 1.006 238 L HN 0.140 nan 8.230 nan 0.000 0.454 239 Q N -0.213 119.609 119.800 0.037 0.000 2.391 239 Q HA 0.103 4.443 4.340 -0.000 0.000 0.211 239 Q C 0.905 176.917 176.000 0.020 0.000 0.908 239 Q CA 0.583 56.403 55.803 0.029 0.000 0.920 239 Q CB 0.641 29.389 28.738 0.015 0.000 1.056 239 Q HN 0.485 nan 8.270 nan 0.000 0.523 240 T N -2.498 112.064 114.554 0.014 0.000 2.896 240 T HA 0.861 5.211 4.350 -0.000 0.000 0.297 240 T C -0.928 173.773 174.700 0.002 0.000 1.108 240 T CA -0.683 61.421 62.100 0.007 0.000 1.004 240 T CB 2.422 71.288 68.868 -0.002 0.000 1.159 240 T HN 0.059 nan 8.240 nan 0.000 0.499 241 A N 1.046 123.862 122.820 -0.007 0.000 2.515 241 A HA 0.784 5.104 4.320 -0.000 0.000 0.296 241 A C -0.889 176.657 177.584 -0.064 0.000 1.094 241 A CA -1.002 51.024 52.037 -0.018 0.000 0.718 241 A CB 1.339 20.340 19.000 0.001 0.000 1.307 241 A HN 0.884 nan 8.150 nan 0.000 0.408 242 E N 0.685 120.825 120.200 -0.100 0.000 2.174 242 E HA 0.487 4.836 4.350 -0.000 0.000 0.282 242 E C -1.188 175.241 176.600 -0.284 0.000 0.992 242 E CA -0.053 56.193 56.400 -0.256 0.000 0.803 242 E CB 1.495 30.994 29.700 -0.335 0.000 1.090 242 E HN 0.480 nan 8.360 nan 0.000 0.396 243 I N 4.102 124.490 120.570 -0.303 0.000 2.354 243 I HA 0.230 4.400 4.170 -0.000 0.000 0.286 243 I C -0.765 175.187 176.117 -0.274 0.000 1.007 243 I CA -0.782 60.401 61.300 -0.194 0.000 1.167 243 I CB 0.481 38.446 38.000 -0.060 0.000 1.320 243 I HN 0.437 nan 8.210 nan 0.000 0.458 244 Y N 4.236 124.507 120.300 -0.048 0.000 2.301 244 Y HA 0.518 5.068 4.550 -0.000 0.000 0.325 244 Y C 0.770 176.785 175.900 0.192 0.000 1.203 244 Y CA -0.437 57.626 58.100 -0.061 0.000 1.255 244 Y CB 1.096 39.461 38.460 -0.158 0.000 1.232 244 Y HN 0.573 nan 8.280 nan 0.000 0.501 245 A N 2.054 125.271 122.820 0.661 0.000 2.301 245 A HA 0.695 5.015 4.320 -0.000 0.000 0.312 245 A C -0.297 177.489 177.584 0.337 0.000 1.182 245 A CA -0.180 52.092 52.037 0.391 0.000 0.826 245 A CB 0.292 19.460 19.000 0.281 0.000 1.134 245 A HN 0.744 nan 8.150 nan 0.000 0.501 246 S N 1.703 117.570 115.700 0.278 0.000 2.579 246 S HA 0.882 5.351 4.470 -0.000 0.000 0.272 246 S C -0.875 173.889 174.600 0.272 0.000 1.141 246 S CA -0.584 57.760 58.200 0.240 0.000 0.843 246 S CB 1.603 64.981 63.200 0.296 0.000 1.122 246 S HN 1.474 nan 8.310 nan 0.000 0.468 247 H N -0.449 118.632 119.070 0.017 0.000 2.981 247 H HA 0.480 5.036 4.556 -0.000 0.000 0.327 247 H C -1.168 173.462 175.328 -1.164 0.000 1.342 247 H CA -0.607 55.238 56.048 -0.338 0.000 1.123 247 H CB 1.012 30.672 29.762 -0.169 0.000 1.851 247 H HN 0.868 nan 8.280 nan 0.000 0.531 248 E N 1.101 120.391 120.200 -1.516 0.000 2.366 248 E HA 0.352 4.701 4.350 -0.000 0.000 0.266 248 E C -0.394 175.896 176.600 -0.516 0.000 1.015 248 E CA -0.343 55.139 56.400 -1.531 0.000 0.906 248 E CB 0.450 29.623 29.700 -0.879 0.000 0.979 248 E HN 0.619 nan 8.360 nan 0.000 0.443 249 A N 5.574 128.140 122.820 -0.423 0.000 2.544 249 A HA 0.166 4.486 4.320 -0.000 0.000 0.301 249 A C 0.131 177.727 177.584 0.020 0.000 1.368 249 A CA -0.311 51.683 52.037 -0.071 0.000 1.045 249 A CB 0.079 19.090 19.000 0.019 0.000 1.129 249 A HN 0.736 nan 8.150 nan 0.000 0.540 250 L N 3.908 125.161 121.223 0.049 0.000 2.641 250 L HA 0.305 4.645 4.340 -0.000 0.000 0.207 250 L C 0.377 177.336 176.870 0.149 0.000 1.049 250 L CA 1.018 55.901 54.840 0.072 0.000 0.866 250 L CB 0.439 42.463 42.059 -0.058 0.000 1.264 250 L HN 0.281 nan 8.230 nan 0.000 0.483 251 V N 2.874 122.833 119.914 0.076 0.000 2.338 251 V HA 0.099 4.218 4.120 -0.000 0.000 0.255 251 V C 1.407 177.535 176.094 0.057 0.000 1.082 251 V CA 0.081 62.427 62.300 0.076 0.000 0.951 251 V CB 0.618 32.501 31.823 0.099 0.000 1.102 251 V HN 0.336 nan 8.190 nan 0.000 0.489 252 L N 2.026 123.207 121.223 -0.069 0.000 2.275 252 L HA -0.082 4.258 4.340 -0.000 0.000 0.215 252 L C 1.975 178.782 176.870 -0.104 0.000 1.119 252 L CA 0.929 55.622 54.840 -0.245 0.000 0.790 252 L CB -0.237 41.593 42.059 -0.382 0.000 0.919 252 L HN 0.578 nan 8.230 nan 0.000 0.443 253 D N -0.780 119.661 120.400 0.067 0.000 2.178 253 D HA -0.223 4.417 4.640 -0.000 0.000 0.201 253 D C 1.843 178.224 176.300 0.136 0.000 0.980 253 D CA 1.276 55.353 54.000 0.129 0.000 0.842 253 D CB 0.055 41.023 40.800 0.280 0.000 0.948 253 D HN 0.328 nan 8.370 nan 0.000 0.472 254 Y N 1.919 122.250 120.300 0.050 0.000 2.153 254 Y HA -0.126 4.424 4.550 -0.000 0.000 0.289 254 Y C 2.181 178.105 175.900 0.041 0.000 1.119 254 Y CA 1.275 59.407 58.100 0.055 0.000 1.116 254 Y CB 0.044 38.557 38.460 0.088 0.000 1.004 254 Y HN -0.203 nan 8.280 nan 0.000 0.501 255 E N 0.853 121.098 120.200 0.075 0.000 2.085 255 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 255 E C 2.212 178.828 176.600 0.027 0.000 0.994 255 E CA 1.825 58.230 56.400 0.008 0.000 0.801 255 E CB -0.572 29.066 29.700 -0.103 0.000 0.743 255 E HN 0.688 nan 8.360 nan 0.000 0.453 256 R N 0.868 121.329 120.500 -0.065 0.000 2.115 256 R HA 0.082 4.422 4.340 -0.000 0.000 0.230 256 R C 2.148 178.467 176.300 0.032 0.000 1.111 256 R CA 1.390 57.533 56.100 0.072 0.000 0.976 256 R CB -0.424 29.889 30.300 0.023 0.000 0.870 256 R HN 0.077 nan 8.270 nan 0.000 0.445 257 A N 1.113 123.904 122.820 -0.048 0.000 2.066 257 A HA 0.095 4.415 4.320 -0.000 0.000 0.218 257 A C 1.790 179.296 177.584 -0.130 0.000 1.157 257 A CA 0.682 52.665 52.037 -0.089 0.000 0.670 257 A CB -0.029 18.902 19.000 -0.115 0.000 0.804 257 A HN 0.242 nan 8.150 nan 0.000 0.453 258 M N 0.015 119.526 119.600 -0.149 0.000 2.453 258 M HA 0.322 4.802 4.480 -0.000 0.000 0.239 258 M C -0.125 176.172 176.300 -0.005 0.000 1.151 258 M CA -0.004 55.219 55.300 -0.129 0.000 0.989 258 M CB -0.927 31.541 32.600 -0.221 0.000 1.548 258 M HN 0.203 nan 8.290 nan 0.000 0.479 259 L N 1.736 122.983 121.223 0.040 0.000 2.426 259 L HA 0.180 4.520 4.340 -0.000 0.000 0.271 259 L C 0.534 177.432 176.870 0.047 0.000 1.169 259 L CA 0.200 55.083 54.840 0.073 0.000 0.836 259 L CB 0.248 42.360 42.059 0.088 0.000 1.112 259 L HN 0.149 nan 8.230 nan 0.000 0.465 260 R N 2.369 122.914 120.500 0.075 0.000 2.799 260 R HA 0.594 4.934 4.340 -0.000 0.000 0.270 260 R C -1.433 174.931 176.300 0.107 0.000 1.010 260 R CA -1.055 55.081 56.100 0.061 0.000 0.916 260 R CB 1.925 32.245 30.300 0.034 0.000 1.228 260 R HN 0.329 nan 8.270 nan 0.000 0.469 261 L N -0.133 121.136 121.223 0.077 0.000 2.325 261 L HA 0.653 4.993 4.340 -0.000 0.000 0.278 261 L C -0.543 176.380 176.870 0.090 0.000 1.023 261 L CA 0.106 55.006 54.840 0.099 0.000 0.811 261 L CB 1.825 43.916 42.059 0.054 0.000 1.249 261 L HN 0.629 nan 8.230 nan 0.000 0.431 262 S N 2.637 118.427 115.700 0.150 0.000 2.533 262 S HA 0.748 5.218 4.470 -0.000 0.000 0.271 262 S C -2.190 172.487 174.600 0.128 0.000 1.143 262 S CA -0.496 57.750 58.200 0.076 0.000 0.891 262 S CB 0.880 64.025 63.200 -0.093 0.000 1.105 262 S HN 0.726 nan 8.310 nan 0.000 0.468 263 D N 1.501 121.938 120.400 0.061 0.000 2.595 263 D HA 0.213 4.853 4.640 -0.000 0.000 0.116 263 D C -0.245 176.072 176.300 0.029 0.000 0.921 263 D CA 0.118 54.153 54.000 0.058 0.000 1.468 263 D CB -0.031 40.825 40.800 0.092 0.000 3.232 263 D HN 0.654 nan 8.370 nan 0.000 0.781 264 G N 1.248 110.057 108.800 0.016 0.000 4.144 264 G HA2 0.436 4.396 3.960 -0.000 0.000 0.297 264 G HA3 0.436 4.396 3.960 -0.000 0.000 0.297 264 G C -0.525 174.380 174.900 0.009 0.000 1.090 264 G CA -0.411 44.695 45.100 0.009 0.000 0.870 264 G HN 0.162 nan 8.290 nan 0.000 0.532 265 D N -0.288 120.122 120.400 0.016 0.000 2.890 265 D HA 0.432 5.072 4.640 -0.000 0.000 0.233 265 D C 0.046 176.361 176.300 0.025 0.000 1.306 265 D CA -0.329 53.681 54.000 0.016 0.000 0.929 265 D CB 2.118 42.926 40.800 0.013 0.000 1.512 265 D HN -0.059 nan 8.370 nan 0.000 0.568 266 D N 0.965 121.373 120.400 0.013 0.000 2.235 266 D HA -0.181 4.459 4.640 -0.000 0.000 0.173 266 D C 0.981 177.279 176.300 -0.003 0.000 1.522 266 D CA 2.701 56.705 54.000 0.006 0.000 1.559 266 D CB -0.834 39.976 40.800 0.016 0.000 1.362 266 D HN 0.823 nan 8.370 nan 0.000 0.511 267 G N -0.674 108.130 108.800 0.006 0.000 1.812 267 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.053 267 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.053 267 G C -1.035 173.869 174.900 0.008 0.000 0.844 267 G CA 0.119 45.219 45.100 0.001 0.000 1.151 267 G HN 0.296 nan 8.290 nan 0.000 0.362 268 E N 3.247 123.446 120.200 -0.001 0.000 2.493 268 E HA 0.237 4.587 4.350 -0.000 0.000 0.255 268 E C -2.045 174.568 176.600 0.022 0.000 0.999 268 E CA -1.175 55.227 56.400 0.002 0.000 0.934 268 E CB 0.688 30.380 29.700 -0.013 0.000 0.940 268 E HN 0.033 nan 8.360 nan 0.000 0.473 269 P HA -0.150 nan 4.420 nan 0.000 0.259 269 P C -0.740 176.589 177.300 0.048 0.000 1.155 269 P CA 1.012 64.143 63.100 0.052 0.000 0.759 269 P CB 0.307 32.029 31.700 0.035 0.000 0.753 270 Q N 1.638 121.495 119.800 0.096 0.000 2.359 270 Q HA 0.539 4.879 4.340 -0.000 0.000 0.275 270 Q C -0.297 175.739 176.000 0.060 0.000 1.082 270 Q CA -1.173 54.641 55.803 0.017 0.000 0.849 270 Q CB 1.681 30.358 28.738 -0.102 0.000 1.377 270 Q HN 0.371 nan 8.270 nan 0.000 0.452 271 L N 1.948 123.124 121.223 -0.078 0.000 2.276 271 L HA 0.406 4.745 4.340 -0.000 0.000 0.286 271 L C -1.120 175.653 176.870 -0.162 0.000 1.061 271 L CA -0.187 54.626 54.840 -0.046 0.000 0.807 271 L CB 0.312 42.310 42.059 -0.102 0.000 1.177 271 L HN 0.455 nan 8.230 nan 0.000 0.429 272 F N 1.329 121.253 119.950 -0.044 0.000 2.495 272 F HA 0.238 4.765 4.527 -0.000 0.000 0.327 272 F C 0.393 176.180 175.800 -0.022 0.000 1.103 272 F CA -0.869 57.110 58.000 -0.034 0.000 0.949 272 F CB 1.496 40.490 39.000 -0.011 0.000 1.142 272 F HN 0.330 nan 8.300 nan 0.000 0.457 273 D N 4.068 124.549 120.400 0.136 0.000 2.393 273 D HA 0.174 4.814 4.640 -0.000 0.000 0.232 273 D C 0.165 176.553 176.300 0.147 0.000 1.192 273 D CA 0.149 54.234 54.000 0.141 0.000 0.882 273 D CB 0.604 41.499 40.800 0.157 0.000 1.038 273 D HN 0.531 nan 8.370 nan 0.000 0.499 274 L N 3.207 124.499 121.223 0.114 0.000 2.805 274 L HA 0.046 4.385 4.340 -0.000 0.000 0.237 274 L C 1.815 178.730 176.870 0.075 0.000 1.252 274 L CA -0.107 54.779 54.840 0.076 0.000 1.064 274 L CB -0.187 41.900 42.059 0.046 0.000 1.361 274 L HN 0.312 nan 8.230 nan 0.000 0.474 275 S N -1.160 114.612 115.700 0.119 0.000 2.558 275 S HA 0.394 4.864 4.470 -0.000 0.000 0.217 275 S C 0.688 175.455 174.600 0.280 0.000 0.975 275 S CA 0.210 58.539 58.200 0.216 0.000 0.912 275 S CB 0.399 63.783 63.200 0.307 0.000 0.776 275 S HN 0.344 nan 8.310 nan 0.000 0.526 276 A N -0.234 122.670 122.820 0.140 0.000 2.511 276 A HA 0.670 4.990 4.320 -0.000 0.000 0.293 276 A C -0.300 177.261 177.584 -0.040 0.000 1.098 276 A CA -0.544 51.537 52.037 0.073 0.000 0.643 276 A CB -0.226 18.829 19.000 0.092 0.000 1.302 276 A HN 0.256 nan 8.150 nan 0.000 0.446 277 H N -0.684 118.483 119.070 0.163 0.000 2.418 277 H HA 0.335 4.891 4.556 -0.000 0.000 0.300 277 H C 0.747 176.129 175.328 0.091 0.000 1.041 277 H CA 1.769 57.913 56.048 0.159 0.000 1.364 277 H CB 0.604 30.510 29.762 0.241 0.000 1.439 277 H HN 0.643 nan 8.280 nan 0.000 0.540 278 T N 0.510 115.174 114.554 0.184 0.000 2.916 278 T HA 0.537 4.887 4.350 -0.000 0.000 0.305 278 T C -1.488 173.240 174.700 0.047 0.000 1.119 278 T CA -0.550 61.608 62.100 0.097 0.000 1.008 278 T CB 1.044 69.956 68.868 0.074 0.000 1.129 278 T HN 0.127 nan 8.240 nan 0.000 0.480 279 V N 1.968 121.892 119.914 0.018 0.000 3.078 279 V HA 1.038 5.157 4.120 -0.000 0.000 0.311 279 V C -1.318 174.833 176.094 0.095 0.000 1.138 279 V CA -1.215 61.029 62.300 -0.094 0.000 1.007 279 V CB 1.587 33.268 31.823 -0.236 0.000 1.045 279 V HN 1.107 nan 8.190 nan 0.000 0.432 280 W N 1.813 123.095 121.300 -0.030 0.000 2.929 280 W HA 0.932 5.592 4.660 -0.000 0.000 0.345 280 W C -1.607 174.900 176.519 -0.021 0.000 1.151 280 W CA -1.564 55.769 57.345 -0.020 0.000 1.111 280 W CB 1.138 30.597 29.460 -0.002 0.000 1.449 280 W HN 0.608 nan 8.180 nan 0.000 0.572 281 I N 2.760 123.437 120.570 0.178 0.000 2.378 281 I HA 0.540 4.710 4.170 -0.000 0.000 0.291 281 I C 0.985 177.173 176.117 0.119 0.000 0.992 281 I CA -0.693 60.627 61.300 0.035 0.000 1.154 281 I CB 1.362 39.372 38.000 0.017 0.000 1.315 281 I HN 0.771 nan 8.210 nan 0.000 0.448 282 G N 3.540 112.362 108.800 0.035 0.000 2.651 282 G HA2 0.088 4.048 3.960 -0.000 0.000 0.260 282 G HA3 0.088 4.048 3.960 -0.000 0.000 0.260 282 G C 0.712 175.587 174.900 -0.041 0.000 1.216 282 G CA -0.244 44.883 45.100 0.044 0.000 0.913 282 G HN 0.645 nan 8.290 nan 0.000 0.535 283 E N 0.111 120.282 120.200 -0.048 0.000 2.130 283 E HA -0.143 4.207 4.350 -0.000 0.000 0.196 283 E C 2.417 178.998 176.600 -0.032 0.000 0.998 283 E CA 1.042 57.419 56.400 -0.037 0.000 0.806 283 E CB 0.040 29.722 29.700 -0.030 0.000 0.738 283 E HN 0.471 nan 8.360 nan 0.000 0.459 284 R N -0.430 120.037 120.500 -0.054 0.000 2.317 284 R HA 0.054 4.394 4.340 -0.000 0.000 0.208 284 R C 1.141 177.392 176.300 -0.081 0.000 0.914 284 R CA 0.774 56.844 56.100 -0.050 0.000 1.060 284 R CB 0.452 30.723 30.300 -0.048 0.000 1.015 284 R HN 0.057 nan 8.270 nan 0.000 0.498 285 T N -2.443 112.029 114.554 -0.136 0.000 3.209 285 T HA 0.101 4.450 4.350 -0.000 0.000 0.295 285 T C 0.907 175.548 174.700 -0.097 0.000 0.977 285 T CA -0.627 61.334 62.100 -0.232 0.000 0.922 285 T CB 0.156 68.605 68.868 -0.698 0.000 1.152 285 T HN 0.223 nan 8.240 nan 0.000 0.527 286 R N 0.774 121.267 120.500 -0.012 0.000 2.480 286 R HA 0.364 4.704 4.340 -0.000 0.000 0.277 286 R C -0.477 175.945 176.300 0.203 0.000 1.008 286 R CA -0.605 55.538 56.100 0.071 0.000 1.090 286 R CB -0.444 29.838 30.300 -0.029 0.000 1.234 286 R HN 0.168 nan 8.270 nan 0.000 0.549 287 Q N 1.005 120.891 119.800 0.143 0.000 2.320 287 Q HA -0.092 4.247 4.340 -0.000 0.000 0.311 287 Q C 0.887 176.979 176.000 0.153 0.000 1.083 287 Q CA 0.110 55.992 55.803 0.132 0.000 1.001 287 Q CB 0.558 29.354 28.738 0.096 0.000 1.074 287 Q HN 0.324 nan 8.270 nan 0.000 0.379 288 I N 1.883 122.516 120.570 0.105 0.000 2.454 288 I HA -0.220 3.950 4.170 -0.000 0.000 0.254 288 I C 0.511 176.658 176.117 0.050 0.000 1.156 288 I CA 1.647 62.978 61.300 0.052 0.000 1.433 288 I CB 0.223 38.152 38.000 -0.118 0.000 1.082 288 I HN 0.633 nan 8.210 nan 0.000 0.432 289 D N 0.403 120.830 120.400 0.045 0.000 2.501 289 D HA 0.250 4.890 4.640 -0.000 0.000 0.226 289 D C 0.591 176.925 176.300 0.057 0.000 1.198 289 D CA 0.179 54.203 54.000 0.040 0.000 0.830 289 D CB 0.240 41.050 40.800 0.018 0.000 1.014 289 D HN 0.334 nan 8.370 nan 0.000 0.496 290 G N -0.169 108.683 108.800 0.087 0.000 2.547 290 G HA2 0.393 4.353 3.960 -0.000 0.000 0.291 290 G HA3 0.393 4.353 3.960 -0.000 0.000 0.291 290 G C 1.163 176.124 174.900 0.102 0.000 1.211 290 G CA 0.025 45.185 45.100 0.100 0.000 0.950 290 G HN 0.050 nan 8.290 nan 0.000 0.504 291 A N -0.438 122.422 122.820 0.067 0.000 1.908 291 A HA -0.109 4.210 4.320 -0.000 0.000 0.218 291 A C 2.017 179.611 177.584 0.017 0.000 1.181 291 A CA 2.259 54.292 52.037 -0.005 0.000 0.627 291 A CB -0.836 18.085 19.000 -0.132 0.000 0.818 291 A HN 0.779 nan 8.150 nan 0.000 0.445 292 H N -0.608 118.511 119.070 0.081 0.000 2.299 292 H HA -0.035 4.521 4.556 -0.000 0.000 0.302 292 H C 1.999 177.417 175.328 0.149 0.000 1.078 292 H CA 1.618 57.727 56.048 0.102 0.000 1.323 292 H CB -0.107 29.682 29.762 0.046 0.000 1.381 292 H HN 0.342 nan 8.280 nan 0.000 0.498 293 I N 0.750 121.470 120.570 0.250 0.000 2.208 293 I HA -0.236 3.933 4.170 -0.000 0.000 0.245 293 I C 2.531 178.735 176.117 0.144 0.000 1.097 293 I CA 1.415 62.828 61.300 0.188 0.000 1.363 293 I CB -1.407 36.719 38.000 0.210 0.000 1.051 293 I HN 0.302 nan 8.210 nan 0.000 0.413 294 A N 0.098 122.998 122.820 0.133 0.000 1.930 294 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 294 A C 2.290 179.933 177.584 0.099 0.000 1.175 294 A CA 1.055 53.147 52.037 0.091 0.000 0.627 294 A CB -0.964 18.083 19.000 0.077 0.000 0.815 294 A HN 0.373 nan 8.150 nan 0.000 0.443 295 F N 1.101 121.050 119.950 -0.001 0.000 2.134 295 F HA -0.050 4.477 4.527 -0.000 0.000 0.299 295 F C 2.462 178.259 175.800 -0.004 0.000 1.097 295 F CA 1.196 59.187 58.000 -0.014 0.000 1.264 295 F CB -0.360 38.617 39.000 -0.038 0.000 1.001 295 F HN 0.235 nan 8.300 nan 0.000 0.479 296 A N -0.158 122.709 122.820 0.078 0.000 2.024 296 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 296 A C 2.096 179.620 177.584 -0.100 0.000 1.164 296 A CA 1.801 53.824 52.037 -0.025 0.000 0.643 296 A CB -0.770 18.269 19.000 0.066 0.000 0.806 296 A HN 0.635 nan 8.150 nan 0.000 0.451 297 Q N -0.950 118.811 119.800 -0.065 0.000 2.230 297 Q HA -0.014 4.326 4.340 -0.000 0.000 0.202 297 Q C 1.720 177.649 176.000 -0.117 0.000 0.963 297 Q CA 1.194 56.957 55.803 -0.066 0.000 0.866 297 Q CB -0.062 28.659 28.738 -0.027 0.000 0.931 297 Q HN 0.490 nan 8.270 nan 0.000 0.452 298 V N 1.386 121.185 119.914 -0.192 0.000 3.235 298 V HA 0.022 4.142 4.120 -0.000 0.000 0.259 298 V C 1.056 176.972 176.094 -0.297 0.000 1.133 298 V CA 0.461 62.631 62.300 -0.216 0.000 1.128 298 V CB -0.158 31.539 31.823 -0.210 0.000 0.757 298 V HN 0.284 nan 8.190 nan 0.000 0.469 299 I N -2.428 117.913 120.570 -0.381 0.000 2.566 299 I HA 0.665 4.835 4.170 -0.000 0.000 0.303 299 I C 1.197 177.103 176.117 -0.351 0.000 0.983 299 I CA -0.340 60.727 61.300 -0.388 0.000 1.235 299 I CB 1.639 39.387 38.000 -0.419 0.000 1.386 299 I HN -0.072 nan 8.210 nan 0.000 0.494 300 A N 3.714 126.220 122.820 -0.523 0.000 2.072 300 A HA 0.091 4.410 4.320 -0.000 0.000 0.216 300 A C 0.843 178.214 177.584 -0.355 0.000 1.156 300 A CA 0.229 51.915 52.037 -0.584 0.000 0.701 300 A CB -1.037 17.224 19.000 -1.231 0.000 0.816 300 A HN 0.890 nan 8.150 nan 0.000 0.458 301 N N 1.163 119.724 118.700 -0.232 0.000 2.283 301 N HA 0.215 4.955 4.740 -0.000 0.000 0.236 301 N C -2.769 172.714 175.510 -0.045 0.000 1.252 301 N CA -0.346 52.680 53.050 -0.041 0.000 0.856 301 N CB -0.235 38.262 38.487 0.017 0.000 1.099 301 N HN 0.156 nan 8.380 nan 0.000 0.444 302 P HA 0.051 nan 4.420 nan 0.000 0.269 302 P C -0.690 176.607 177.300 -0.005 0.000 1.209 302 P CA -0.228 62.858 63.100 -0.023 0.000 0.776 302 P CB 0.633 32.311 31.700 -0.036 0.000 0.876 303 V N -0.371 119.540 119.914 -0.006 0.000 3.040 303 V HA 0.999 5.119 4.120 -0.000 0.000 0.312 303 V C -0.165 175.943 176.094 0.024 0.000 1.115 303 V CA -0.830 61.485 62.300 0.024 0.000 0.998 303 V CB 1.947 33.779 31.823 0.014 0.000 1.042 303 V HN 0.661 nan 8.190 nan 0.000 0.433 304 G N 0.236 109.087 108.800 0.086 0.000 2.630 304 G HA2 0.717 4.677 3.960 -0.000 0.000 0.296 304 G HA3 0.717 4.677 3.960 -0.000 0.000 0.296 304 G C -1.598 173.333 174.900 0.052 0.000 1.285 304 G CA -0.933 44.196 45.100 0.048 0.000 0.958 304 G HN 1.162 nan 8.290 nan 0.000 0.479 305 V N 1.308 121.191 119.914 -0.051 0.000 2.638 305 V HA 0.394 4.513 4.120 -0.000 0.000 0.306 305 V C -0.672 175.349 176.094 -0.123 0.000 1.052 305 V CA -1.266 60.958 62.300 -0.126 0.000 0.885 305 V CB 1.930 33.530 31.823 -0.371 0.000 0.999 305 V HN 0.597 nan 8.190 nan 0.000 0.424 306 K N 4.817 125.165 120.400 -0.087 0.000 2.368 306 K HA 0.498 4.817 4.320 -0.000 0.000 0.282 306 K C -0.791 175.763 176.600 -0.077 0.000 1.035 306 K CA -0.014 56.216 56.287 -0.094 0.000 0.973 306 K CB 1.062 33.502 32.500 -0.100 0.000 0.957 306 K HN 0.515 nan 8.250 nan 0.000 0.474 307 L N 2.316 123.524 121.223 -0.024 0.000 2.316 307 L HA 0.373 4.713 4.340 -0.000 0.000 0.280 307 L C 0.891 177.783 176.870 0.037 0.000 1.006 307 L CA -0.806 54.050 54.840 0.028 0.000 0.836 307 L CB 1.722 43.835 42.059 0.090 0.000 1.221 307 L HN 0.643 nan 8.230 nan 0.000 0.418 308 G N 2.330 111.151 108.800 0.035 0.000 2.557 308 G HA2 0.382 4.342 3.960 -0.000 0.000 0.292 308 G HA3 0.382 4.342 3.960 -0.000 0.000 0.292 308 G C -1.906 173.014 174.900 0.033 0.000 1.237 308 G CA -1.169 43.949 45.100 0.031 0.000 0.978 308 G HN 0.416 nan 8.290 nan 0.000 0.498 309 P HA -0.116 nan 4.420 nan 0.000 0.220 309 P C 1.175 178.484 177.300 0.015 0.000 1.144 309 P CA 1.130 64.232 63.100 0.003 0.000 0.800 309 P CB 0.149 31.844 31.700 -0.008 0.000 0.772 310 N N -1.633 117.084 118.700 0.028 0.000 2.270 310 N HA 0.036 4.776 4.740 -0.000 0.000 0.198 310 N C 0.346 175.882 175.510 0.044 0.000 1.117 310 N CA -0.176 52.893 53.050 0.031 0.000 0.845 310 N CB -0.703 37.802 38.487 0.030 0.000 0.980 310 N HN 0.025 nan 8.380 nan 0.000 0.486 311 M N 2.425 122.060 119.600 0.058 0.000 2.248 311 M HA 0.090 4.570 4.480 -0.000 0.000 0.345 311 M C 0.043 176.380 176.300 0.061 0.000 1.243 311 M CA 0.036 55.386 55.300 0.083 0.000 1.090 311 M CB 0.499 33.163 32.600 0.108 0.000 1.683 311 M HN 0.285 nan 8.290 nan 0.000 0.450 312 T N 3.216 117.804 114.554 0.057 0.000 2.934 312 T HA 0.558 4.908 4.350 -0.000 0.000 0.283 312 T C -2.166 172.565 174.700 0.052 0.000 1.005 312 T CA -1.730 60.392 62.100 0.038 0.000 1.041 312 T CB 0.966 69.845 68.868 0.018 0.000 1.042 312 T HN 0.517 nan 8.240 nan 0.000 0.505 313 P HA -0.071 nan 4.420 nan 0.000 0.216 313 P C 1.135 178.460 177.300 0.043 0.000 1.150 313 P CA 1.001 64.133 63.100 0.054 0.000 0.837 313 P CB 0.088 31.808 31.700 0.034 0.000 0.786 314 E N -0.743 119.467 120.200 0.016 0.000 2.077 314 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 314 E C 1.850 178.427 176.600 -0.038 0.000 0.989 314 E CA 0.772 57.167 56.400 -0.008 0.000 0.800 314 E CB -1.294 28.396 29.700 -0.016 0.000 0.746 314 E HN 0.109 nan 8.360 nan 0.000 0.452 315 L N 0.562 121.759 121.223 -0.044 0.000 2.046 315 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 315 L C 2.051 178.851 176.870 -0.116 0.000 1.077 315 L CA 1.905 56.663 54.840 -0.137 0.000 0.747 315 L CB -0.936 41.061 42.059 -0.103 0.000 0.896 315 L HN 0.124 nan 8.230 nan 0.000 0.432 316 A N -1.050 121.816 122.820 0.076 0.000 1.892 316 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 316 A C 2.289 179.935 177.584 0.102 0.000 1.188 316 A CA 2.276 54.429 52.037 0.193 0.000 0.631 316 A CB -1.219 17.903 19.000 0.204 0.000 0.822 316 A HN 0.294 nan 8.150 nan 0.000 0.447 317 V N -0.017 119.920 119.914 0.038 0.000 2.332 317 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 317 V C 2.607 178.662 176.094 -0.065 0.000 1.055 317 V CA 2.533 64.828 62.300 -0.010 0.000 1.038 317 V CB -0.753 31.068 31.823 -0.003 0.000 0.651 317 V HN 0.751 nan 8.190 nan 0.000 0.450 318 E N -0.506 119.627 120.200 -0.111 0.000 2.110 318 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 318 E C 2.008 178.518 176.600 -0.150 0.000 0.988 318 E CA 1.511 57.813 56.400 -0.164 0.000 0.804 318 E CB -0.368 29.193 29.700 -0.231 0.000 0.745 318 E HN 0.654 nan 8.360 nan 0.000 0.458 319 Y N -0.248 120.024 120.300 -0.047 0.000 2.128 319 Y HA -0.204 4.346 4.550 -0.000 0.000 0.284 319 Y C 2.399 178.239 175.900 -0.099 0.000 1.154 319 Y CA 1.309 59.377 58.100 -0.054 0.000 1.149 319 Y CB -0.865 37.574 38.460 -0.036 0.000 0.976 319 Y HN -0.031 nan 8.280 nan 0.000 0.505 320 V N 0.046 119.969 119.914 0.015 0.000 2.343 320 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 320 V C 2.010 177.939 176.094 -0.274 0.000 1.051 320 V CA 2.127 64.334 62.300 -0.155 0.000 1.036 320 V CB -0.524 31.162 31.823 -0.227 0.000 0.654 320 V HN 0.440 nan 8.190 nan 0.000 0.451 321 E N -0.417 119.648 120.200 -0.224 0.000 2.152 321 E HA -0.125 4.225 4.350 -0.000 0.000 0.192 321 E C 2.479 179.014 176.600 -0.109 0.000 0.983 321 E CA 0.650 56.933 56.400 -0.195 0.000 0.818 321 E CB -0.093 29.532 29.700 -0.125 0.000 0.758 321 E HN 0.536 nan 8.360 nan 0.000 0.467 322 R N 0.241 120.700 120.500 -0.068 0.000 2.075 322 R HA 0.019 4.359 4.340 -0.000 0.000 0.226 322 R C 2.191 178.475 176.300 -0.025 0.000 1.114 322 R CA 0.780 56.859 56.100 -0.034 0.000 0.972 322 R CB -0.023 30.278 30.300 0.002 0.000 0.869 322 R HN 0.181 nan 8.270 nan 0.000 0.437 323 L N -0.287 120.928 121.223 -0.014 0.000 2.513 323 L HA 0.073 4.412 4.340 -0.000 0.000 0.222 323 L C 0.505 177.363 176.870 -0.020 0.000 1.096 323 L CA 0.330 55.166 54.840 -0.008 0.000 0.857 323 L CB 0.288 42.354 42.059 0.013 0.000 1.026 323 L HN -0.017 nan 8.230 nan 0.000 0.469 324 D N -0.193 120.183 120.400 -0.039 0.000 2.980 324 D HA 0.117 4.757 4.640 -0.000 0.000 0.333 324 D C -1.534 174.804 176.300 0.063 0.000 1.356 324 D CA -1.720 52.293 54.000 0.021 0.000 0.847 324 D CB 0.542 41.369 40.800 0.045 0.000 1.122 324 D HN -0.022 nan 8.370 nan 0.000 0.475 325 P HA -0.101 nan 4.420 nan 0.000 0.226 325 P C 0.457 177.644 177.300 -0.188 0.000 1.153 325 P CA 0.928 63.947 63.100 -0.135 0.000 0.777 325 P CB 0.099 31.622 31.700 -0.295 0.000 0.794 326 H N -1.570 117.539 119.070 0.064 0.000 2.551 326 H HA 0.159 4.715 4.556 -0.000 0.000 0.271 326 H C 0.437 175.767 175.328 0.003 0.000 0.984 326 H CA -0.122 55.940 56.048 0.024 0.000 1.164 326 H CB -0.331 29.430 29.762 -0.001 0.000 1.437 326 H HN -0.052 nan 8.280 nan 0.000 0.550 327 N N 1.798 120.569 118.700 0.118 0.000 2.727 327 N HA -0.180 4.560 4.740 -0.000 0.000 0.251 327 N C -1.261 174.263 175.510 0.023 0.000 1.040 327 N CA 0.231 53.275 53.050 -0.011 0.000 0.712 327 N CB -0.731 37.599 38.487 -0.262 0.000 0.912 327 N HN 0.223 nan 8.380 nan 0.000 0.545 328 K N 1.180 121.621 120.400 0.069 0.000 2.250 328 K HA 0.356 4.676 4.320 -0.000 0.000 0.280 328 K C -2.339 174.272 176.600 0.018 0.000 1.098 328 K CA -1.606 54.700 56.287 0.033 0.000 0.916 328 K CB 0.740 33.260 32.500 0.033 0.000 1.209 328 K HN 0.216 nan 8.250 nan 0.000 0.461 329 P HA -0.076 nan 4.420 nan 0.000 0.260 329 P C 0.829 178.117 177.300 -0.021 0.000 1.172 329 P CA 0.959 64.053 63.100 -0.009 0.000 0.760 329 P CB 0.427 32.118 31.700 -0.013 0.000 0.773 330 G N 3.439 112.217 108.800 -0.036 0.000 2.176 330 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.253 330 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.253 330 G C 1.210 176.079 174.900 -0.051 0.000 0.979 330 G CA 0.465 45.534 45.100 -0.052 0.000 0.641 330 G HN 0.618 nan 8.290 nan 0.000 0.530 331 R N -0.230 120.249 120.500 -0.034 0.000 2.115 331 R HA 0.311 4.651 4.340 -0.000 0.000 0.230 331 R C 1.003 177.277 176.300 -0.044 0.000 1.111 331 R CA 1.574 57.656 56.100 -0.031 0.000 0.976 331 R CB -0.151 30.145 30.300 -0.008 0.000 0.870 331 R HN 0.781 nan 8.270 nan 0.000 0.445 332 L N 0.689 121.875 121.223 -0.061 0.000 2.356 332 L HA 0.483 4.823 4.340 -0.000 0.000 0.277 332 L C -1.373 175.415 176.870 -0.137 0.000 0.996 332 L CA -0.226 54.562 54.840 -0.087 0.000 0.822 332 L CB 2.294 44.299 42.059 -0.091 0.000 1.256 332 L HN 0.034 nan 8.230 nan 0.000 0.413 333 T N 6.279 120.758 114.554 -0.125 0.000 2.758 333 T HA 0.516 4.866 4.350 -0.000 0.000 0.285 333 T C -0.215 174.385 174.700 -0.167 0.000 0.981 333 T CA -0.275 61.731 62.100 -0.157 0.000 0.965 333 T CB 0.610 69.412 68.868 -0.109 0.000 0.927 333 T HN 0.409 nan 8.240 nan 0.000 0.448 334 L N 4.032 125.106 121.223 -0.249 0.000 2.260 334 L HA 0.441 4.781 4.340 -0.000 0.000 0.289 334 L C -0.274 176.588 176.870 -0.014 0.000 1.057 334 L CA -0.881 53.858 54.840 -0.169 0.000 0.811 334 L CB 1.025 42.904 42.059 -0.300 0.000 1.184 334 L HN 0.360 nan 8.230 nan 0.000 0.429 335 V N 2.453 122.358 119.914 -0.014 0.000 2.304 335 V HA 0.126 4.246 4.120 -0.000 0.000 0.269 335 V C 0.589 176.707 176.094 0.038 0.000 1.036 335 V CA -0.352 61.943 62.300 -0.009 0.000 0.840 335 V CB 1.060 32.821 31.823 -0.103 0.000 1.036 335 V HN 0.810 nan 8.190 nan 0.000 0.466 336 S N 5.948 121.727 115.700 0.131 0.000 2.505 336 S HA 0.594 5.064 4.470 -0.000 0.000 0.276 336 S C 0.039 174.670 174.600 0.052 0.000 1.274 336 S CA -0.690 57.596 58.200 0.145 0.000 1.053 336 S CB 0.127 63.503 63.200 0.295 0.000 0.919 336 S HN 0.871 nan 8.310 nan 0.000 0.490 337 R N 3.875 124.399 120.500 0.040 0.000 2.713 337 R HA 0.489 4.829 4.340 -0.000 0.000 0.282 337 R C -0.548 175.768 176.300 0.028 0.000 1.472 337 R CA -0.214 55.901 56.100 0.025 0.000 1.060 337 R CB -0.164 30.157 30.300 0.035 0.000 1.237 337 R HN 0.638 nan 8.270 nan 0.000 0.484 338 M N 0.789 120.398 119.600 0.015 0.000 2.231 338 M HA 0.387 4.867 4.480 -0.000 0.000 0.347 338 M C -0.002 176.245 176.300 -0.087 0.000 0.901 338 M CA 0.581 55.868 55.300 -0.022 0.000 1.064 338 M CB 1.694 34.280 32.600 -0.023 0.000 1.861 338 M HN 0.951 nan 8.290 nan 0.000 0.638 339 G N 2.074 110.860 108.800 -0.023 0.000 2.785 339 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.686 339 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.686 339 G C 0.044 174.947 174.900 0.005 0.000 1.155 339 G CA -0.172 44.941 45.100 0.022 0.000 0.760 339 G HN 0.510 nan 8.290 nan 0.000 0.624 340 N N 0.884 119.724 118.700 0.234 0.000 2.409 340 N HA -0.147 4.593 4.740 -0.000 0.000 0.179 340 N C 1.621 177.226 175.510 0.159 0.000 1.032 340 N CA 1.990 55.133 53.050 0.155 0.000 0.898 340 N CB -0.411 38.157 38.487 0.135 0.000 0.971 340 N HN 0.951 nan 8.380 nan 0.000 0.441 341 H N 0.000 119.082 119.070 0.020 0.000 2.524 341 H HA 0.209 4.765 4.556 -0.000 0.000 0.282 341 H C 0.787 176.124 175.328 0.015 0.000 1.016 341 H CA 0.580 56.637 56.048 0.015 0.000 1.270 341 H CB -0.087 29.684 29.762 0.014 0.000 1.394 341 H HN 0.279 nan 8.280 nan 0.000 0.568 342 K N 0.124 120.336 120.400 -0.313 0.000 2.425 342 K HA 0.139 4.459 4.320 -0.000 0.000 0.201 342 K C 1.920 178.450 176.600 -0.117 0.000 1.128 342 K CA 0.393 56.540 56.287 -0.235 0.000 1.000 342 K CB 0.944 33.236 32.500 -0.348 0.000 0.961 342 K HN 0.014 nan 8.250 nan 0.000 0.555 343 V N 1.717 121.585 119.914 -0.077 0.000 2.407 343 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 343 V C 1.922 177.991 176.094 -0.041 0.000 1.055 343 V CA 1.769 64.052 62.300 -0.028 0.000 1.049 343 V CB -0.192 31.653 31.823 0.037 0.000 0.662 343 V HN 0.219 nan 8.190 nan 0.000 0.455 344 R N -0.264 120.216 120.500 -0.034 0.000 2.120 344 R HA -0.110 4.230 4.340 -0.000 0.000 0.234 344 R C 1.901 178.163 176.300 -0.065 0.000 1.123 344 R CA 1.847 57.918 56.100 -0.048 0.000 0.975 344 R CB -0.175 30.112 30.300 -0.021 0.000 0.866 344 R HN 0.624 nan 8.270 nan 0.000 0.446 345 D N -0.151 120.215 120.400 -0.056 0.000 2.269 345 D HA -0.026 4.614 4.640 -0.000 0.000 0.220 345 D C 1.880 178.143 176.300 -0.062 0.000 0.962 345 D CA 0.770 54.738 54.000 -0.054 0.000 0.884 345 D CB 0.057 40.833 40.800 -0.040 0.000 1.023 345 D HN 0.165 nan 8.370 nan 0.000 0.484 346 L N 0.469 121.656 121.223 -0.061 0.000 2.240 346 L HA -0.013 4.326 4.340 -0.000 0.000 0.211 346 L C 2.240 179.074 176.870 -0.061 0.000 1.106 346 L CA 0.289 55.099 54.840 -0.051 0.000 0.793 346 L CB -0.010 42.024 42.059 -0.042 0.000 0.927 346 L HN 0.011 nan 8.230 nan 0.000 0.446 347 L N 0.318 121.485 121.223 -0.094 0.000 2.209 347 L HA 0.098 4.438 4.340 -0.000 0.000 0.207 347 L C -0.628 176.103 176.870 -0.232 0.000 1.094 347 L CA 1.237 55.992 54.840 -0.143 0.000 0.790 347 L CB -1.084 40.875 42.059 -0.165 0.000 0.932 347 L HN -0.015 nan 8.230 nan 0.000 0.447 348 P HA -0.101 nan 4.420 nan 0.000 0.214 348 P C -1.402 175.791 177.300 -0.177 0.000 1.163 348 P CA 1.990 64.945 63.100 -0.241 0.000 0.883 348 P CB -1.181 30.411 31.700 -0.179 0.000 0.788 349 P HA -0.125 nan 4.420 nan 0.000 0.218 349 P C 1.525 178.797 177.300 -0.045 0.000 1.148 349 P CA 1.267 64.328 63.100 -0.066 0.000 0.822 349 P CB -0.519 31.157 31.700 -0.040 0.000 0.784 350 I N -1.183 119.358 120.570 -0.047 0.000 2.202 350 I HA -0.195 3.975 4.170 -0.000 0.000 0.242 350 I C 2.241 178.376 176.117 0.031 0.000 1.091 350 I CA 1.274 62.593 61.300 0.031 0.000 1.368 350 I CB -0.763 37.278 38.000 0.068 0.000 1.058 350 I HN -0.186 nan 8.210 nan 0.000 0.410 351 V N 0.663 120.437 119.914 -0.233 0.000 2.287 351 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 351 V C 2.371 178.423 176.094 -0.069 0.000 1.053 351 V CA 1.927 63.977 62.300 -0.418 0.000 1.027 351 V CB -0.707 30.614 31.823 -0.837 0.000 0.646 351 V HN 0.424 nan 8.190 nan 0.000 0.447 352 E N -0.282 119.868 120.200 -0.084 0.000 2.038 352 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 352 E C 2.426 179.053 176.600 0.046 0.000 1.000 352 E CA 1.234 57.623 56.400 -0.019 0.000 0.803 352 E CB -0.160 29.517 29.700 -0.038 0.000 0.750 352 E HN 0.313 nan 8.360 nan 0.000 0.448 353 K N 0.532 120.964 120.400 0.053 0.000 2.032 353 K HA -0.124 4.195 4.320 -0.000 0.000 0.209 353 K C 2.150 178.817 176.600 0.112 0.000 1.048 353 K CA 0.808 57.137 56.287 0.070 0.000 0.927 353 K CB -0.568 31.969 32.500 0.061 0.000 0.712 353 K HN 0.049 nan 8.250 nan 0.000 0.441 354 V N 1.772 121.796 119.914 0.184 0.000 2.427 354 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 354 V C 2.442 178.677 176.094 0.235 0.000 1.051 354 V CA 1.464 63.902 62.300 0.230 0.000 1.048 354 V CB -0.338 31.711 31.823 0.377 0.000 0.666 354 V HN 0.323 nan 8.190 nan 0.000 0.456 355 Q N -0.079 119.874 119.800 0.254 0.000 2.224 355 Q HA -0.065 4.275 4.340 -0.000 0.000 0.203 355 Q C 2.318 178.399 176.000 0.135 0.000 0.970 355 Q CA 1.641 57.569 55.803 0.208 0.000 0.865 355 Q CB -0.490 28.355 28.738 0.177 0.000 0.922 355 Q HN 0.657 nan 8.270 nan 0.000 0.445 356 A N 0.903 123.788 122.820 0.109 0.000 2.168 356 A HA -0.073 4.247 4.320 -0.000 0.000 0.215 356 A C 2.122 179.759 177.584 0.089 0.000 1.152 356 A CA 1.476 53.560 52.037 0.079 0.000 0.716 356 A CB -0.503 18.532 19.000 0.057 0.000 0.794 356 A HN 0.469 nan 8.150 nan 0.000 0.465 357 T N -4.342 110.287 114.554 0.124 0.000 3.085 357 T HA 0.309 4.659 4.350 -0.000 0.000 0.263 357 T C 1.610 176.418 174.700 0.179 0.000 1.127 357 T CA 1.206 63.406 62.100 0.167 0.000 1.103 357 T CB -0.244 68.751 68.868 0.212 0.000 0.921 357 T HN 1.564 nan 8.240 nan 0.000 0.510 358 G N 1.023 109.895 108.800 0.121 0.000 2.212 358 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.266 358 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.266 358 G C 0.127 175.028 174.900 0.002 0.000 0.978 358 G CA 0.308 45.434 45.100 0.043 0.000 0.632 358 G HN 0.743 nan 8.290 nan 0.000 0.537 359 H N 0.831 119.913 119.070 0.020 0.000 2.690 359 H HA 0.319 4.875 4.556 -0.000 0.000 0.365 359 H C 0.360 175.688 175.328 0.000 0.000 1.142 359 H CA 0.539 56.588 56.048 0.002 0.000 1.417 359 H CB 0.486 30.241 29.762 -0.012 0.000 1.446 359 H HN 0.403 nan 8.280 nan 0.000 0.599 360 Q N 2.397 122.250 119.800 0.089 0.000 2.508 360 Q HA 0.274 4.614 4.340 -0.000 0.000 0.247 360 Q C -0.039 175.939 176.000 -0.036 0.000 1.047 360 Q CA -0.592 55.231 55.803 0.033 0.000 0.783 360 Q CB 1.679 30.427 28.738 0.018 0.000 1.172 360 Q HN 0.410 nan 8.270 nan 0.000 0.515 361 V N -0.143 119.685 119.914 -0.143 0.000 3.170 361 V HA 0.522 4.642 4.120 -0.000 0.000 0.309 361 V C 0.160 176.043 176.094 -0.353 0.000 1.071 361 V CA -0.790 61.326 62.300 -0.306 0.000 1.063 361 V CB 0.898 32.379 31.823 -0.571 0.000 1.123 361 V HN 0.540 nan 8.190 nan 0.000 0.464 362 I N 1.598 121.975 120.570 -0.322 0.000 2.342 362 I HA 0.296 4.466 4.170 -0.000 0.000 0.291 362 I C -0.702 175.216 176.117 -0.333 0.000 1.010 362 I CA 0.015 61.173 61.300 -0.237 0.000 1.308 362 I CB 0.997 38.913 38.000 -0.141 0.000 1.400 362 I HN 0.692 nan 8.210 nan 0.000 0.488 363 W N 6.334 127.620 121.300 -0.023 0.000 2.332 363 W HA 0.426 5.086 4.660 -0.000 0.000 0.306 363 W C 0.194 176.768 176.519 0.093 0.000 1.149 363 W CA -0.330 57.046 57.345 0.053 0.000 1.271 363 W CB 0.586 30.046 29.460 -0.000 0.000 1.243 363 W HN 0.413 nan 8.180 nan 0.000 0.459 364 Q N 3.521 123.474 119.800 0.255 0.000 2.353 364 Q HA 0.481 4.821 4.340 -0.000 0.000 0.268 364 Q C -1.063 174.824 176.000 -0.188 0.000 1.045 364 Q CA -0.778 55.006 55.803 -0.032 0.000 0.811 364 Q CB 2.089 30.756 28.738 -0.119 0.000 1.305 364 Q HN 0.635 nan 8.270 nan 0.000 0.447 365 C N 3.796 122.686 119.300 -0.683 0.000 2.285 365 C HA 0.400 4.860 4.460 -0.000 0.000 0.335 365 C C -0.552 174.237 174.990 -0.335 0.000 1.267 365 C CA -0.413 58.147 59.018 -0.763 0.000 1.762 365 C CB 0.253 27.117 27.740 -1.459 0.000 2.365 365 C HN 0.839 nan 8.230 nan 0.000 0.527 366 D N 7.606 127.889 120.400 -0.195 0.000 2.467 366 D HA 0.321 4.961 4.640 -0.000 0.000 0.220 366 D C -1.566 174.662 176.300 -0.120 0.000 1.103 366 D CA -2.080 51.834 54.000 -0.143 0.000 0.886 366 D CB 1.353 42.080 40.800 -0.123 0.000 1.025 366 D HN 0.466 nan 8.370 nan 0.000 0.514 367 P HA 0.023 nan 4.420 nan 0.000 0.253 367 P C 0.992 178.229 177.300 -0.105 0.000 1.260 367 P CA 0.156 63.200 63.100 -0.094 0.000 0.800 367 P CB 0.323 31.970 31.700 -0.088 0.000 1.162 368 M N -0.691 118.788 119.600 -0.201 0.000 2.544 368 M HA 0.070 4.549 4.480 -0.000 0.000 0.251 368 M C 1.579 177.751 176.300 -0.213 0.000 1.189 368 M CA 1.488 56.619 55.300 -0.281 0.000 1.218 368 M CB -1.883 30.367 32.600 -0.584 0.000 1.259 368 M HN 0.083 nan 8.290 nan 0.000 0.495 369 H N 0.141 119.181 119.070 -0.049 0.000 2.562 369 H HA 0.216 4.771 4.556 -0.000 0.000 0.274 369 H C 1.652 176.981 175.328 0.001 0.000 1.038 369 H CA 0.621 56.651 56.048 -0.029 0.000 1.161 369 H CB -0.514 29.210 29.762 -0.064 0.000 1.318 369 H HN 0.543 nan 8.280 nan 0.000 0.617 370 G N -1.147 107.701 108.800 0.080 0.000 2.945 370 G HA2 0.024 3.984 3.960 -0.000 0.000 0.225 370 G HA3 0.024 3.984 3.960 -0.000 0.000 0.225 370 G C 0.417 175.393 174.900 0.127 0.000 1.046 370 G CA -0.250 44.909 45.100 0.097 0.000 0.842 370 G HN 0.134 nan 8.290 nan 0.000 0.543 380 K N 2.221 122.687 120.400 0.110 0.000 2.378 380 K HA 0.527 4.847 4.320 -0.000 0.000 0.288 380 K C -0.474 176.277 176.600 0.252 0.000 1.057 380 K CA 0.017 56.406 56.287 0.170 0.000 0.971 380 K CB 0.750 33.360 32.500 0.184 0.000 0.975 380 K HN 0.621 nan 8.250 nan 0.000 0.475 381 T N 2.690 117.358 114.554 0.190 0.000 2.910 381 T HA 0.522 4.872 4.350 -0.000 0.000 0.287 381 T C -0.363 174.412 174.700 0.126 0.000 1.050 381 T CA -0.967 61.241 62.100 0.180 0.000 1.011 381 T CB 1.402 70.364 68.868 0.156 0.000 1.195 381 T HN 0.450 nan 8.240 nan 0.000 0.540 382 R N 0.273 120.833 120.500 0.100 0.000 2.673 382 R HA 0.385 4.725 4.340 -0.000 0.000 0.281 382 R C -1.107 175.251 176.300 0.096 0.000 0.991 382 R CA -0.875 55.281 56.100 0.093 0.000 0.896 382 R CB 1.366 31.704 30.300 0.062 0.000 1.201 382 R HN 0.582 nan 8.270 nan 0.000 0.457 383 H N 3.101 122.219 119.070 0.081 0.000 2.620 383 H HA 0.045 4.601 4.556 -0.000 0.000 0.313 383 H C 0.451 175.858 175.328 0.131 0.000 1.075 383 H CA 0.045 56.159 56.048 0.110 0.000 1.397 383 H CB 0.773 30.586 29.762 0.085 0.000 1.446 383 H HN 0.595 nan 8.280 nan 0.000 0.493 384 F N 4.114 124.050 119.950 -0.023 0.000 2.120 384 F HA -0.268 4.259 4.527 -0.000 0.000 0.300 384 F C 1.560 177.482 175.800 0.204 0.000 1.095 384 F CA 1.825 59.867 58.000 0.070 0.000 1.249 384 F CB 0.213 39.213 39.000 0.000 0.000 0.995 384 F HN 0.564 nan 8.300 nan 0.000 0.480 385 D N -0.271 120.416 120.400 0.480 0.000 2.183 385 D HA -0.095 4.545 4.640 -0.000 0.000 0.203 385 D C 2.390 178.718 176.300 0.046 0.000 0.969 385 D CA 0.944 55.055 54.000 0.186 0.000 0.842 385 D CB -0.271 40.628 40.800 0.166 0.000 0.957 385 D HN 0.366 nan 8.370 nan 0.000 0.484 386 R N 0.123 120.676 120.500 0.089 0.000 2.115 386 R HA 0.043 4.383 4.340 -0.000 0.000 0.226 386 R C 2.434 178.740 176.300 0.010 0.000 1.100 386 R CA 0.419 56.548 56.100 0.048 0.000 0.980 386 R CB -0.101 30.241 30.300 0.069 0.000 0.875 386 R HN 0.245 nan 8.270 nan 0.000 0.445 387 I N 0.284 120.831 120.570 -0.038 0.000 2.113 387 I HA -0.273 3.897 4.170 -0.000 0.000 0.238 387 I C 2.320 178.351 176.117 -0.142 0.000 1.070 387 I CA 1.253 62.493 61.300 -0.099 0.000 1.332 387 I CB -0.298 37.614 38.000 -0.147 0.000 1.044 387 I HN -0.057 nan 8.210 nan 0.000 0.402 388 V N 0.883 120.635 119.914 -0.270 0.000 2.324 388 V HA -0.359 3.761 4.120 -0.000 0.000 0.250 388 V C 2.177 178.230 176.094 -0.067 0.000 1.060 388 V CA 2.440 64.606 62.300 -0.223 0.000 1.042 388 V CB -0.687 30.944 31.823 -0.320 0.000 0.650 388 V HN 0.494 nan 8.190 nan 0.000 0.450 389 D N -0.439 119.939 120.400 -0.038 0.000 2.218 389 D HA -0.207 4.433 4.640 -0.000 0.000 0.204 389 D C 2.188 178.521 176.300 0.054 0.000 0.976 389 D CA 1.381 55.393 54.000 0.020 0.000 0.853 389 D CB -0.035 40.782 40.800 0.028 0.000 0.939 389 D HN 0.599 nan 8.370 nan 0.000 0.481 390 E N -0.688 119.538 120.200 0.044 0.000 2.107 390 E HA -0.111 4.238 4.350 -0.000 0.000 0.191 390 E C 1.958 178.628 176.600 0.118 0.000 0.982 390 E CA 0.792 57.235 56.400 0.071 0.000 0.809 390 E CB 0.203 29.930 29.700 0.045 0.000 0.756 390 E HN 0.141 nan 8.360 nan 0.000 0.459 391 V N 1.105 121.078 119.914 0.098 0.000 2.427 391 V HA -0.235 3.884 4.120 -0.000 0.000 0.248 391 V C 2.473 178.796 176.094 0.381 0.000 1.051 391 V CA 1.913 64.335 62.300 0.203 0.000 1.048 391 V CB -0.630 31.275 31.823 0.137 0.000 0.666 391 V HN 0.288 nan 8.190 nan 0.000 0.456 392 Q N 1.363 121.292 119.800 0.216 0.000 2.084 392 Q HA -0.085 4.254 4.340 -0.000 0.000 0.202 392 Q C 2.196 178.331 176.000 0.224 0.000 0.978 392 Q CA 2.290 58.208 55.803 0.192 0.000 0.844 392 Q CB -0.958 27.834 28.738 0.090 0.000 0.898 392 Q HN 0.516 nan 8.270 nan 0.000 0.426 393 G N -0.395 108.512 108.800 0.179 0.000 2.418 393 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.217 393 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.217 393 G C 1.341 176.336 174.900 0.159 0.000 1.158 393 G CA 0.642 45.823 45.100 0.134 0.000 0.771 393 G HN 0.480 nan 8.290 nan 0.000 0.545 394 F N 0.644 120.638 119.950 0.073 0.000 2.095 394 F HA -0.029 4.498 4.527 -0.000 0.000 0.298 394 F C 2.272 178.114 175.800 0.070 0.000 1.104 394 F CA 1.459 59.484 58.000 0.041 0.000 1.232 394 F CB -0.180 38.872 39.000 0.087 0.000 0.987 394 F HN 0.109 nan 8.300 nan 0.000 0.475 395 F N 1.212 121.325 119.950 0.272 0.000 2.171 395 F HA -0.154 4.373 4.527 -0.000 0.000 0.300 395 F C 2.380 178.188 175.800 0.015 0.000 1.090 395 F CA 1.951 60.038 58.000 0.146 0.000 1.293 395 F CB -0.757 38.345 39.000 0.170 0.000 1.013 395 F HN 0.042 nan 8.300 nan 0.000 0.486 396 E N -0.322 119.971 120.200 0.155 0.000 2.077 396 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 396 E C 2.338 178.888 176.600 -0.083 0.000 0.989 396 E CA 1.440 57.866 56.400 0.044 0.000 0.800 396 E CB -0.337 29.386 29.700 0.038 0.000 0.746 396 E HN 0.150 nan 8.360 nan 0.000 0.452 397 V N 1.357 121.147 119.914 -0.208 0.000 2.255 397 V HA -0.299 3.821 4.120 -0.000 0.000 0.247 397 V C 2.165 177.982 176.094 -0.461 0.000 1.051 397 V CA 2.041 64.112 62.300 -0.382 0.000 1.018 397 V CB -0.664 30.823 31.823 -0.560 0.000 0.641 397 V HN 0.386 nan 8.190 nan 0.000 0.445 398 H N 0.093 118.930 119.070 -0.387 0.000 2.353 398 H HA -0.083 4.473 4.556 -0.000 0.000 0.300 398 H C 2.597 177.818 175.328 -0.178 0.000 1.090 398 H CA 1.532 57.364 56.048 -0.359 0.000 1.327 398 H CB -0.223 29.235 29.762 -0.507 0.000 1.383 398 H HN 0.272 nan 8.280 nan 0.000 0.508 399 R N 0.889 121.388 120.500 -0.003 0.000 2.091 399 R HA -0.039 4.301 4.340 -0.000 0.000 0.238 399 R C 2.465 178.757 176.300 -0.013 0.000 1.136 399 R CA 1.098 57.215 56.100 0.028 0.000 0.959 399 R CB -1.162 29.176 30.300 0.064 0.000 0.856 399 R HN 0.351 nan 8.270 nan 0.000 0.437 400 A N 0.500 123.288 122.820 -0.053 0.000 1.933 400 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 400 A C 2.196 179.740 177.584 -0.066 0.000 1.175 400 A CA 1.148 53.149 52.037 -0.059 0.000 0.628 400 A CB -0.349 18.602 19.000 -0.081 0.000 0.814 400 A HN 0.238 nan 8.150 nan 0.000 0.444 401 L N -1.783 119.382 121.223 -0.096 0.000 2.585 401 L HA 0.245 4.584 4.340 -0.000 0.000 0.226 401 L C 1.611 178.458 176.870 -0.038 0.000 1.113 401 L CA 0.524 55.312 54.840 -0.087 0.000 0.876 401 L CB 0.130 42.098 42.059 -0.152 0.000 1.072 401 L HN 0.560 nan 8.230 nan 0.000 0.468 402 G N 0.738 109.529 108.800 -0.014 0.000 2.143 402 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.248 402 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.248 402 G C 0.371 175.297 174.900 0.044 0.000 0.991 402 G CA 0.473 45.584 45.100 0.018 0.000 0.689 402 G HN 0.384 nan 8.290 nan 0.000 0.522 403 T N -2.745 111.841 114.554 0.053 0.000 2.912 403 T HA 0.568 4.918 4.350 -0.000 0.000 0.280 403 T C 0.006 174.767 174.700 0.102 0.000 0.989 403 T CA -0.401 61.764 62.100 0.108 0.000 0.995 403 T CB 2.015 70.955 68.868 0.119 0.000 1.077 403 T HN 0.465 nan 8.240 nan 0.000 0.531 404 H N 2.583 121.634 119.070 -0.031 0.000 2.800 404 H HA 0.356 4.911 4.556 -0.000 0.000 0.291 404 H C -2.393 172.642 175.328 -0.488 0.000 1.076 404 H CA -2.172 53.804 56.048 -0.120 0.000 1.452 404 H CB 0.560 30.322 29.762 0.000 0.000 1.461 404 H HN 0.307 nan 8.280 nan 0.000 0.488 405 P HA 0.142 nan 4.420 nan 0.000 0.273 405 P C 0.743 177.634 177.300 -0.681 0.000 1.428 405 P CA -0.055 62.440 63.100 -1.008 0.000 0.995 405 P CB 0.756 31.810 31.700 -1.077 0.000 1.286 406 G N 2.268 110.765 108.800 -0.506 0.000 2.683 406 G HA2 0.390 4.350 3.960 -0.000 0.000 0.213 406 G HA3 0.390 4.350 3.960 -0.000 0.000 0.213 406 G C 0.569 175.051 174.900 -0.697 0.000 1.142 406 G CA 0.365 45.147 45.100 -0.529 0.000 0.793 406 G HN 0.731 nan 8.290 nan 0.000 0.534 407 G N -0.647 107.714 108.800 -0.730 0.000 2.320 407 G HA2 0.456 4.416 3.960 -0.000 0.000 0.296 407 G HA3 0.456 4.416 3.960 -0.000 0.000 0.296 407 G C -1.557 173.008 174.900 -0.559 0.000 1.306 407 G CA -0.373 43.994 45.100 -1.222 0.000 0.836 407 G HN 0.733 nan 8.290 nan 0.000 0.517 408 I N -2.601 117.736 120.570 -0.388 0.000 2.828 408 I HA 0.822 4.992 4.170 -0.000 0.000 0.302 408 I C -1.420 174.621 176.117 -0.127 0.000 1.101 408 I CA -1.127 60.063 61.300 -0.183 0.000 1.031 408 I CB 2.763 40.755 38.000 -0.014 0.000 1.231 408 I HN 0.594 nan 8.210 nan 0.000 0.427 409 H N 4.089 123.034 119.070 -0.208 0.000 2.658 409 H HA 0.766 5.322 4.556 -0.000 0.000 0.337 409 H C -1.895 173.335 175.328 -0.162 0.000 1.009 409 H CA -0.695 55.232 56.048 -0.203 0.000 1.231 409 H CB 2.019 31.615 29.762 -0.276 0.000 1.508 409 H HN 0.592 nan 8.280 nan 0.000 0.517 410 V N 4.817 124.844 119.914 0.189 0.000 2.925 410 V HA 0.276 4.396 4.120 -0.000 0.000 0.311 410 V C -0.714 175.410 176.094 0.051 0.000 1.104 410 V CA -0.763 61.559 62.300 0.036 0.000 0.954 410 V CB 2.496 34.323 31.823 0.007 0.000 1.022 410 V HN 0.781 nan 8.190 nan 0.000 0.427 411 E N 4.990 125.174 120.200 -0.026 0.000 2.113 411 E HA 0.689 5.038 4.350 -0.000 0.000 0.273 411 E C -0.792 175.799 176.600 -0.015 0.000 0.924 411 E CA -0.247 56.151 56.400 -0.004 0.000 0.764 411 E CB 1.994 31.670 29.700 -0.040 0.000 1.104 411 E HN 0.628 nan 8.360 nan 0.000 0.406 412 I N -1.222 119.345 120.570 -0.005 0.000 3.458 412 I HA 0.747 4.916 4.170 -0.000 0.000 0.316 412 I C -0.661 175.436 176.117 -0.033 0.000 1.202 412 I CA -0.738 60.548 61.300 -0.023 0.000 0.929 412 I CB 2.607 40.592 38.000 -0.025 0.000 1.340 412 I HN 0.359 nan 8.210 nan 0.000 0.481 413 T N -0.783 113.738 114.554 -0.054 0.000 2.802 413 T HA 0.486 4.836 4.350 -0.000 0.000 0.311 413 T C 0.330 174.964 174.700 -0.109 0.000 1.405 413 T CA 0.039 62.092 62.100 -0.078 0.000 1.016 413 T CB 1.405 70.264 68.868 -0.014 0.000 1.352 413 T HN 1.043 nan 8.240 nan 0.000 0.498 414 G N 0.609 109.315 108.800 -0.157 0.000 2.511 414 G HA2 0.142 4.101 3.960 -0.000 0.000 0.217 414 G HA3 0.142 4.101 3.960 -0.000 0.000 0.217 414 G C 0.379 175.216 174.900 -0.105 0.000 1.133 414 G CA 0.329 45.336 45.100 -0.156 0.000 0.792 414 G HN 0.627 nan 8.290 nan 0.000 0.539 415 E N 0.109 120.275 120.200 -0.057 0.000 2.390 415 E HA 0.175 4.525 4.350 -0.000 0.000 0.261 415 E C 0.096 176.669 176.600 -0.046 0.000 1.076 415 E CA -0.320 56.063 56.400 -0.028 0.000 0.905 415 E CB 0.565 30.275 29.700 0.017 0.000 0.984 415 E HN 0.047 nan 8.360 nan 0.000 0.427 416 N N 1.968 120.643 118.700 -0.041 0.000 3.303 416 N HA 0.060 4.800 4.740 -0.000 0.000 0.304 416 N C -1.013 174.469 175.510 -0.048 0.000 1.302 416 N CA -0.035 52.991 53.050 -0.041 0.000 1.213 416 N CB -0.121 38.348 38.487 -0.030 0.000 1.481 416 N HN 0.183 nan 8.380 nan 0.000 0.546 417 V N 0.646 120.522 119.914 -0.063 0.000 3.441 417 V HA 0.446 4.566 4.120 -0.000 0.000 0.300 417 V C 0.834 176.877 176.094 -0.085 0.000 1.062 417 V CA -0.170 62.077 62.300 -0.088 0.000 1.064 417 V CB 1.386 33.134 31.823 -0.125 0.000 1.197 417 V HN 0.635 nan 8.190 nan 0.000 0.451 433 A N 0.267 123.073 122.820 -0.024 0.000 2.125 433 A HA 0.182 4.502 4.320 -0.000 0.000 0.219 433 A C 2.006 179.590 177.584 -0.001 0.000 1.156 433 A CA 1.834 53.914 52.037 0.072 0.000 0.671 433 A CB -1.070 18.096 19.000 0.277 0.000 0.794 433 A HN 0.562 nan 8.150 nan 0.000 0.459 434 G N -0.445 108.344 108.800 -0.018 0.000 2.511 434 G HA2 0.094 4.054 3.960 -0.000 0.000 0.216 434 G HA3 0.094 4.054 3.960 -0.000 0.000 0.216 434 G C 1.151 176.038 174.900 -0.021 0.000 1.218 434 G CA 1.453 46.547 45.100 -0.010 0.000 0.788 434 G HN 1.124 nan 8.290 nan 0.000 0.560 435 R N -1.299 119.174 120.500 -0.045 0.000 2.674 435 R HA 0.470 4.809 4.340 -0.000 0.000 0.270 435 R C -0.953 175.307 176.300 -0.067 0.000 1.492 435 R CA -0.703 55.370 56.100 -0.045 0.000 1.624 435 R CB -0.711 29.561 30.300 -0.047 0.000 1.307 435 R HN 0.403 nan 8.270 nan 0.000 0.683 436 Y N 1.638 121.812 120.300 -0.211 0.000 2.504 436 Y HA 0.463 5.013 4.550 -0.000 0.000 0.351 436 Y C -0.004 175.818 175.900 -0.129 0.000 0.988 436 Y CA -0.060 57.897 58.100 -0.237 0.000 1.239 436 Y CB 0.748 38.918 38.460 -0.482 0.000 1.128 436 Y HN 0.676 nan 8.280 nan 0.000 0.525 440 c N -0.659 118.009 118.600 0.113 0.000 3.251 440 c HA 0.551 5.121 4.570 -0.000 0.000 0.376 440 c C -1.045 173.151 174.090 0.177 0.000 1.791 440 c CA -0.584 55.828 56.329 0.139 0.000 1.163 440 c CB 0.963 43.506 42.510 0.055 0.000 2.128 440 c HN 0.586 nan 8.230 nan 0.000 0.429 441 D N 2.556 123.040 120.400 0.140 0.000 2.378 441 D HA 0.193 4.833 4.640 -0.000 0.000 0.238 441 D C -2.305 174.012 176.300 0.029 0.000 1.180 441 D CA -0.462 53.617 54.000 0.133 0.000 0.895 441 D CB -0.070 40.793 40.800 0.105 0.000 1.192 441 D HN 0.336 nan 8.370 nan 0.000 0.438 442 P HA 0.167 nan 4.420 nan 0.000 0.275 442 P C -0.230 177.025 177.300 -0.074 0.000 1.276 442 P CA -0.325 62.733 63.100 -0.071 0.000 0.782 442 P CB 0.516 32.258 31.700 0.070 0.000 0.851 443 R N 2.340 122.768 120.500 -0.119 0.000 2.811 443 R HA 0.177 4.517 4.340 -0.000 0.000 0.265 443 R C 0.458 176.729 176.300 -0.048 0.000 1.026 443 R CA -0.138 55.917 56.100 -0.074 0.000 1.142 443 R CB -0.312 29.943 30.300 -0.074 0.000 1.027 443 R HN 0.452 nan 8.270 nan 0.000 0.465 444 L N 2.855 124.070 121.223 -0.014 0.000 2.453 444 L HA 0.088 4.428 4.340 -0.000 0.000 0.272 444 L C 0.649 177.504 176.870 -0.026 0.000 1.182 444 L CA -0.362 54.488 54.840 0.016 0.000 0.858 444 L CB 0.060 42.161 42.059 0.069 0.000 1.120 444 L HN 0.742 nan 8.230 nan 0.000 0.474 445 N N 0.242 118.916 118.700 -0.043 0.000 2.294 445 N HA -0.005 4.735 4.740 -0.000 0.000 0.248 445 N C 0.857 176.331 175.510 -0.060 0.000 1.300 445 N CA -0.099 52.916 53.050 -0.058 0.000 0.925 445 N CB 0.013 38.462 38.487 -0.063 0.000 1.188 445 N HN 0.544 nan 8.380 nan 0.000 0.512 446 T N -1.003 113.506 114.554 -0.075 0.000 2.665 446 T HA -0.215 4.135 4.350 -0.000 0.000 0.268 446 T C 1.522 176.149 174.700 -0.122 0.000 1.035 446 T CA 1.603 63.644 62.100 -0.100 0.000 1.151 446 T CB -0.378 68.421 68.868 -0.114 0.000 0.862 446 T HN 0.475 nan 8.240 nan 0.000 0.438 447 Q N 0.155 119.900 119.800 -0.092 0.000 2.050 447 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 447 Q C 2.511 178.454 176.000 -0.095 0.000 0.980 447 Q CA 1.609 57.361 55.803 -0.086 0.000 0.840 447 Q CB -0.235 28.540 28.738 0.062 0.000 0.898 447 Q HN 0.668 nan 8.270 nan 0.000 0.424 448 Q N -0.047 119.711 119.800 -0.070 0.000 2.167 448 Q HA -0.073 4.267 4.340 -0.000 0.000 0.202 448 Q C 2.230 178.299 176.000 0.116 0.000 0.970 448 Q CA 1.133 56.913 55.803 -0.040 0.000 0.855 448 Q CB 0.089 28.795 28.738 -0.054 0.000 0.911 448 Q HN 0.188 nan 8.270 nan 0.000 0.438 449 S N 0.978 116.693 115.700 0.026 0.000 2.359 449 S HA -0.150 4.320 4.470 -0.000 0.000 0.224 449 S C 1.743 176.328 174.600 -0.024 0.000 1.035 449 S CA 0.985 59.192 58.200 0.012 0.000 1.018 449 S CB -0.268 62.908 63.200 -0.039 0.000 0.876 449 S HN 0.236 nan 8.310 nan 0.000 0.448 450 L N 1.919 123.065 121.223 -0.127 0.000 2.046 450 L HA 0.004 4.344 4.340 -0.000 0.000 0.208 450 L C 2.213 179.066 176.870 -0.029 0.000 1.077 450 L CA 1.777 56.502 54.840 -0.193 0.000 0.747 450 L CB -0.914 40.809 42.059 -0.559 0.000 0.896 450 L HN 0.290 nan 8.230 nan 0.000 0.432 451 E N -1.011 119.185 120.200 -0.008 0.000 2.072 451 E HA -0.240 4.110 4.350 -0.000 0.000 0.191 451 E C 2.159 178.878 176.600 0.199 0.000 0.985 451 E CA 1.226 57.683 56.400 0.095 0.000 0.801 451 E CB -0.147 29.676 29.700 0.205 0.000 0.750 451 E HN 0.384 nan 8.360 nan 0.000 0.452 452 L N 0.745 122.119 121.223 0.252 0.000 2.083 452 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 452 L C 2.149 179.055 176.870 0.059 0.000 1.083 452 L CA 2.049 56.984 54.840 0.158 0.000 0.752 452 L CB -0.592 41.536 42.059 0.114 0.000 0.899 452 L HN 0.057 nan 8.230 nan 0.000 0.433 453 A N -0.915 121.912 122.820 0.012 0.000 1.877 453 A HA -0.209 4.110 4.320 -0.000 0.000 0.216 453 A C 2.138 179.641 177.584 -0.134 0.000 1.186 453 A CA 1.897 53.887 52.037 -0.079 0.000 0.620 453 A CB -1.131 17.777 19.000 -0.152 0.000 0.822 453 A HN 0.445 nan 8.150 nan 0.000 0.443 454 F N -0.013 119.847 119.950 -0.150 0.000 2.095 454 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 454 F C 2.178 177.941 175.800 -0.061 0.000 1.104 454 F CA 1.685 59.581 58.000 -0.174 0.000 1.232 454 F CB -0.444 38.215 39.000 -0.569 0.000 0.987 454 F HN 0.105 nan 8.300 nan 0.000 0.475 455 L N -0.978 120.336 121.223 0.151 0.000 2.056 455 L HA -0.199 4.141 4.340 -0.000 0.000 0.207 455 L C 2.269 179.145 176.870 0.010 0.000 1.078 455 L CA 0.707 55.631 54.840 0.140 0.000 0.749 455 L CB -0.667 41.484 42.059 0.153 0.000 0.901 455 L HN -0.040 nan 8.230 nan 0.000 0.433 456 V N -0.221 119.668 119.914 -0.042 0.000 2.548 456 V HA -0.198 3.922 4.120 -0.000 0.000 0.249 456 V C 2.667 178.622 176.094 -0.233 0.000 1.055 456 V CA 1.499 63.706 62.300 -0.155 0.000 1.065 456 V CB -0.721 31.072 31.823 -0.051 0.000 0.681 456 V HN 0.455 nan 8.190 nan 0.000 0.462 457 A N -0.356 122.378 122.820 -0.144 0.000 1.972 457 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 457 A C 2.182 179.712 177.584 -0.089 0.000 1.169 457 A CA 1.466 53.421 52.037 -0.137 0.000 0.635 457 A CB -0.317 18.627 19.000 -0.094 0.000 0.810 457 A HN 0.498 nan 8.150 nan 0.000 0.446 458 E N -0.229 119.950 120.200 -0.034 0.000 2.106 458 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 458 E C 1.986 178.517 176.600 -0.115 0.000 0.984 458 E CA 1.157 57.548 56.400 -0.015 0.000 0.806 458 E CB -0.458 29.277 29.700 0.059 0.000 0.750 458 E HN 0.740 nan 8.360 nan 0.000 0.458 459 M N 0.092 119.542 119.600 -0.250 0.000 2.213 459 M HA -0.129 4.351 4.480 -0.000 0.000 0.263 459 M C 2.215 178.261 176.300 -0.423 0.000 1.062 459 M CA 1.080 56.120 55.300 -0.432 0.000 1.105 459 M CB -0.185 31.892 32.600 -0.872 0.000 1.385 459 M HN 0.032 nan 8.290 nan 0.000 0.417 460 L N -0.958 120.048 121.223 -0.361 0.000 2.179 460 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 460 L C 2.501 179.331 176.870 -0.067 0.000 1.096 460 L CA 1.005 55.748 54.840 -0.161 0.000 0.779 460 L CB -0.244 41.694 42.059 -0.202 0.000 0.922 460 L HN 0.183 nan 8.230 nan 0.000 0.443 461 R N -0.449 120.006 120.500 -0.075 0.000 2.062 461 R HA -0.016 4.324 4.340 -0.000 0.000 0.226 461 R C 0.509 176.801 176.300 -0.013 0.000 1.125 461 R CA 0.409 56.488 56.100 -0.035 0.000 0.966 461 R CB -0.166 30.126 30.300 -0.013 0.000 0.861 461 R HN 0.210 nan 8.270 nan 0.000 0.433 462 D N 0.000 120.389 120.400 -0.018 0.000 6.856 462 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 462 D CA 0.000 54.001 54.000 0.001 0.000 0.868 462 D CB 0.000 40.797 40.800 -0.005 0.000 0.688 462 D HN 0.000 nan 8.370 nan 0.000 0.683