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 2wkn_1_G DATA FIRST_RESID 2 DATA SEQUENCE AETLIKVDLN QSPYDNPQVH NRWHPDIPMA VWVEPGAEFK LETYDWTGGA DATA SEQUENCE IKNDDSAEDV RDVDLSTVHF LSGPVGVKGA EPGDLLVVDL LDIGARDDSL DATA SEQUENCE WGFNGFFSKQ NGGGFLDEHF PLAQKSIWDF HGMFTKSRHI PGVNFAGLIH DATA SEQUENCE PGLIGCLPDP KMLASWNERE TGLIATDPDR IPGLANPPNA TTAHMGQMQG DATA SEQUENCE EARDKAAAEG ARTVPPREHG GNCDIKDLSR GSRVFFPVYV DGAGLSVGDL DATA SEQUENCE HFSQGDGEIT FCGAIEMAGW VHMKVSLIKG GMAKYGIKNP IFKPSPMTPN DATA SEQUENCE YKDYLIFEGI SVDEKGKQHY LDVTVAYRQA CLNAIEYLKK FGYSGAQAYS DATA SEQUENCE LLGTAPVQGH ISGVVDVPNA CATLWLPTEI FDFDINPTAE GPQKIITGGV DATA SEQUENCE DLPIAQDK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.500 177.584 -0.140 0.000 1.274 2 A CA 0.000 51.953 52.037 -0.139 0.000 0.836 2 A CB 0.000 18.865 19.000 -0.224 0.000 0.831 3 E N 0.641 120.810 120.200 -0.051 0.000 2.301 3 E HA 0.532 4.882 4.350 -0.000 0.000 0.275 3 E C -0.630 175.962 176.600 -0.012 0.000 1.030 3 E CA -0.419 55.959 56.400 -0.037 0.000 0.852 3 E CB 0.843 30.537 29.700 -0.010 0.000 1.060 3 E HN 0.341 nan 8.360 nan 0.000 0.401 4 T N 4.238 118.771 114.554 -0.035 0.000 2.743 4 T HA 0.114 4.464 4.350 -0.000 0.000 0.290 4 T C 0.997 175.704 174.700 0.011 0.000 0.908 4 T CA -0.274 61.823 62.100 -0.005 0.000 1.092 4 T CB 0.098 68.940 68.868 -0.042 0.000 0.882 4 T HN 0.458 nan 8.240 nan 0.000 0.531 5 L N 3.216 124.460 121.223 0.036 0.000 2.418 5 L HA 0.318 4.658 4.340 -0.000 0.000 0.218 5 L C 0.585 177.444 176.870 -0.018 0.000 1.125 5 L CA 0.856 55.679 54.840 -0.028 0.000 0.835 5 L CB 0.009 41.976 42.059 -0.154 0.000 0.953 5 L HN 0.553 nan 8.230 nan 0.000 0.454 6 I N 0.285 120.866 120.570 0.018 0.000 2.468 6 I HA 0.222 4.392 4.170 -0.000 0.000 0.285 6 I C -0.565 175.561 176.117 0.016 0.000 1.039 6 I CA -0.442 60.869 61.300 0.019 0.000 1.074 6 I CB 1.844 39.863 38.000 0.033 0.000 1.228 6 I HN -0.042 nan 8.210 nan 0.000 0.436 7 K N 5.018 125.419 120.400 0.000 0.000 2.118 7 K HA 0.788 5.107 4.320 -0.000 0.000 0.254 7 K C -1.070 175.502 176.600 -0.047 0.000 0.961 7 K CA -0.848 55.426 56.287 -0.020 0.000 0.876 7 K CB 2.919 35.406 32.500 -0.021 0.000 1.077 7 K HN 0.208 nan 8.250 nan 0.000 0.440 8 V N 1.683 121.536 119.914 -0.101 0.000 2.638 8 V HA 0.129 4.249 4.120 -0.000 0.000 0.306 8 V C -1.264 174.703 176.094 -0.212 0.000 1.052 8 V CA -0.785 61.374 62.300 -0.235 0.000 0.885 8 V CB 1.963 33.533 31.823 -0.422 0.000 0.999 8 V HN 0.754 nan 8.190 nan 0.000 0.424 9 D N 4.068 124.358 120.400 -0.184 0.000 2.392 9 D HA 0.343 4.983 4.640 -0.000 0.000 0.228 9 D C 0.954 177.194 176.300 -0.100 0.000 1.074 9 D CA -0.322 53.622 54.000 -0.093 0.000 0.838 9 D CB 1.619 42.410 40.800 -0.015 0.000 1.067 9 D HN 0.409 nan 8.370 nan 0.000 0.511 10 L N 3.104 124.272 121.223 -0.093 0.000 2.187 10 L HA -0.142 4.198 4.340 -0.000 0.000 0.213 10 L C 1.446 178.389 176.870 0.122 0.000 1.100 10 L CA 0.720 55.559 54.840 -0.002 0.000 0.765 10 L CB -0.142 41.934 42.059 0.028 0.000 0.904 10 L HN 0.401 nan 8.230 nan 0.000 0.437 11 N N -0.586 118.164 118.700 0.082 0.000 2.353 11 N HA -0.039 4.701 4.740 -0.000 0.000 0.185 11 N C 0.646 176.206 175.510 0.084 0.000 1.098 11 N CA 0.233 53.332 53.050 0.082 0.000 0.872 11 N CB 0.277 38.797 38.487 0.056 0.000 0.970 11 N HN 0.434 nan 8.380 nan 0.000 0.467 12 Q N 0.901 120.766 119.800 0.107 0.000 2.261 12 Q HA 0.163 4.503 4.340 -0.000 0.000 0.252 12 Q C -0.282 175.795 176.000 0.128 0.000 0.915 12 Q CA -0.218 55.649 55.803 0.107 0.000 0.915 12 Q CB 1.008 29.810 28.738 0.106 0.000 1.204 12 Q HN -0.023 nan 8.270 nan 0.000 0.421 13 S N 4.268 119.991 115.700 0.038 0.000 2.549 13 S HA 0.107 4.577 4.470 -0.000 0.000 0.286 13 S C -1.589 172.903 174.600 -0.180 0.000 1.314 13 S CA -1.203 56.959 58.200 -0.065 0.000 1.062 13 S CB 0.614 63.815 63.200 0.002 0.000 0.865 13 S HN 0.602 nan 8.310 nan 0.000 0.498 14 P HA -0.125 nan 4.420 nan 0.000 0.219 14 P C 0.624 177.686 177.300 -0.395 0.000 1.146 14 P CA 1.441 63.992 63.100 -0.915 0.000 0.808 14 P CB -0.147 30.299 31.700 -2.089 0.000 0.779 15 Y N 0.509 120.628 120.300 -0.302 0.000 2.352 15 Y HA -0.121 4.429 4.550 -0.000 0.000 0.292 15 Y C 2.076 177.796 175.900 -0.300 0.000 1.136 15 Y CA 1.007 58.869 58.100 -0.396 0.000 1.227 15 Y CB -0.813 37.470 38.460 -0.296 0.000 0.991 15 Y HN -0.023 nan 8.280 nan 0.000 0.545 16 D N -0.577 119.824 120.400 0.001 0.000 2.347 16 D HA -0.079 4.560 4.640 -0.000 0.000 0.213 16 D C 0.213 176.556 176.300 0.072 0.000 0.985 16 D CA 0.508 54.523 54.000 0.026 0.000 0.879 16 D CB -0.214 40.605 40.800 0.032 0.000 0.919 16 D HN 0.146 nan 8.370 nan 0.000 0.526 17 N N 1.509 120.289 118.700 0.133 0.000 2.420 17 N HA 0.068 4.808 4.740 -0.000 0.000 0.249 17 N C -1.904 173.757 175.510 0.252 0.000 1.033 17 N CA -1.629 51.529 53.050 0.180 0.000 0.944 17 N CB 1.986 40.605 38.487 0.219 0.000 1.113 17 N HN -0.110 nan 8.380 nan 0.000 0.502 18 P HA -0.024 nan 4.420 nan 0.000 0.237 18 P C 0.118 177.501 177.300 0.139 0.000 1.178 18 P CA 0.920 64.131 63.100 0.185 0.000 0.766 18 P CB 0.501 32.268 31.700 0.112 0.000 0.876 19 Q N -0.527 119.336 119.800 0.106 0.000 2.220 19 Q HA 0.214 4.554 4.340 -0.000 0.000 0.205 19 Q C -0.058 175.976 176.000 0.056 0.000 0.865 19 Q CA -0.131 55.711 55.803 0.065 0.000 0.960 19 Q CB 0.936 29.703 28.738 0.049 0.000 1.097 19 Q HN 0.081 nan 8.270 nan 0.000 0.493 20 V N 0.633 120.552 119.914 0.009 0.000 2.815 20 V HA 0.462 4.582 4.120 -0.000 0.000 0.314 20 V C -0.605 175.240 176.094 -0.415 0.000 1.064 20 V CA -0.844 61.386 62.300 -0.118 0.000 0.952 20 V CB 1.674 33.466 31.823 -0.052 0.000 1.020 20 V HN 0.423 nan 8.190 nan 0.000 0.439 21 H N 0.798 119.605 119.070 -0.437 0.000 3.014 21 H HA 0.593 5.149 4.556 -0.000 0.000 0.337 21 H C -0.565 174.588 175.328 -0.292 0.000 1.320 21 H CA -0.815 54.955 56.048 -0.464 0.000 1.128 21 H CB 1.342 30.927 29.762 -0.295 0.000 1.862 21 H HN 0.437 nan 8.280 nan 0.000 0.536 22 N N 0.958 119.537 118.700 -0.202 0.000 2.307 22 N HA 0.202 4.942 4.740 -0.000 0.000 0.248 22 N C -0.753 174.640 175.510 -0.194 0.000 1.322 22 N CA -0.587 52.275 53.050 -0.313 0.000 0.861 22 N CB 0.656 38.859 38.487 -0.474 0.000 1.303 22 N HN 0.483 nan 8.380 nan 0.000 0.498 23 R N -0.412 120.034 120.500 -0.089 0.000 2.774 23 R HA 0.361 4.701 4.340 -0.000 0.000 0.272 23 R C -1.370 174.932 176.300 0.004 0.000 1.000 23 R CA -0.365 55.731 56.100 -0.007 0.000 0.906 23 R CB 0.658 31.026 30.300 0.112 0.000 1.227 23 R HN 0.123 nan 8.270 nan 0.000 0.468 24 W N 1.698 123.162 121.300 0.272 0.000 2.361 24 W HA 0.414 5.073 4.660 -0.000 0.000 0.309 24 W C 0.607 177.249 176.519 0.205 0.000 1.122 24 W CA -0.027 57.478 57.345 0.267 0.000 1.208 24 W CB 0.860 30.523 29.460 0.338 0.000 1.246 24 W HN 0.261 nan 8.180 nan 0.000 0.490 25 H N 4.346 123.583 119.070 0.279 0.000 3.129 25 H HA 0.091 4.647 4.556 -0.000 0.000 0.342 25 H C -1.997 173.367 175.328 0.060 0.000 1.092 25 H CA -1.495 54.620 56.048 0.112 0.000 1.310 25 H CB 2.812 32.618 29.762 0.073 0.000 1.932 25 H HN 0.139 nan 8.280 nan 0.000 0.507 26 P HA -0.073 nan 4.420 nan 0.000 0.223 26 P C 0.342 177.735 177.300 0.156 0.000 1.144 26 P CA 1.025 64.139 63.100 0.023 0.000 0.783 26 P CB 0.577 32.212 31.700 -0.108 0.000 0.771 27 D N -0.733 119.892 120.400 0.374 0.000 2.379 27 D HA 0.134 4.774 4.640 -0.000 0.000 0.208 27 D C 0.927 177.277 176.300 0.083 0.000 1.065 27 D CA -0.139 53.984 54.000 0.205 0.000 0.848 27 D CB 0.028 40.945 40.800 0.196 0.000 0.949 27 D HN 0.241 nan 8.370 nan 0.000 0.509 28 I N 3.202 123.806 120.570 0.058 0.000 2.742 28 I HA -0.006 4.164 4.170 -0.000 0.000 0.287 28 I C -2.012 174.082 176.117 -0.038 0.000 1.186 28 I CA -1.105 60.167 61.300 -0.047 0.000 1.417 28 I CB 0.113 38.004 38.000 -0.181 0.000 1.377 28 I HN -0.272 nan 8.210 nan 0.000 0.556 29 P HA 0.158 nan 4.420 nan 0.000 0.277 29 P C -0.464 176.810 177.300 -0.042 0.000 1.240 29 P CA -0.575 62.532 63.100 0.011 0.000 0.798 29 P CB 0.464 32.193 31.700 0.048 0.000 0.979 30 M N 1.690 121.249 119.600 -0.070 0.000 2.284 30 M HA 0.032 4.512 4.480 -0.000 0.000 0.351 30 M C 1.391 177.613 176.300 -0.130 0.000 1.443 30 M CA 0.130 55.292 55.300 -0.230 0.000 1.031 30 M CB -0.618 31.595 32.600 -0.645 0.000 1.893 30 M HN 0.511 nan 8.290 nan 0.000 0.456 31 A N 3.859 126.605 122.820 -0.124 0.000 2.067 31 A HA 0.209 4.529 4.320 -0.000 0.000 0.219 31 A C 0.906 178.452 177.584 -0.063 0.000 1.158 31 A CA 0.921 52.924 52.037 -0.057 0.000 0.661 31 A CB 0.288 19.269 19.000 -0.031 0.000 0.801 31 A HN 0.670 nan 8.150 nan 0.000 0.452 32 V N -3.208 116.617 119.914 -0.150 0.000 3.236 32 V HA 0.501 4.621 4.120 -0.000 0.000 0.287 32 V C -2.388 173.568 176.094 -0.230 0.000 1.491 32 V CA -1.083 61.153 62.300 -0.107 0.000 1.037 32 V CB 1.614 33.359 31.823 -0.130 0.000 1.160 32 V HN 0.407 nan 8.190 nan 0.000 0.453 33 W N 3.961 125.210 121.300 -0.085 0.000 2.573 33 W HA 0.783 5.443 4.660 -0.000 0.000 0.326 33 W C -0.215 176.241 176.519 -0.104 0.000 1.049 33 W CA -0.382 56.919 57.345 -0.073 0.000 1.220 33 W CB 2.086 31.523 29.460 -0.038 0.000 1.373 33 W HN 0.654 nan 8.180 nan 0.000 0.507 34 V N -0.505 119.492 119.914 0.138 0.000 3.001 34 V HA 0.586 4.706 4.120 -0.000 0.000 0.314 34 V C -0.328 175.858 176.094 0.153 0.000 1.099 34 V CA -1.362 60.978 62.300 0.067 0.000 0.989 34 V CB 1.856 33.633 31.823 -0.077 0.000 1.040 34 V HN 0.470 nan 8.190 nan 0.000 0.434 35 E N 1.823 122.097 120.200 0.124 0.000 2.313 35 E HA 0.408 4.758 4.350 -0.000 0.000 0.272 35 E C -2.646 174.030 176.600 0.127 0.000 1.038 35 E CA -1.952 54.520 56.400 0.120 0.000 0.863 35 E CB 0.907 30.660 29.700 0.089 0.000 1.060 35 E HN 0.576 nan 8.360 nan 0.000 0.402 36 P HA 0.022 nan 4.420 nan 0.000 0.264 36 P C 0.656 178.013 177.300 0.094 0.000 1.193 36 P CA 0.892 64.056 63.100 0.107 0.000 0.763 36 P CB 0.369 32.123 31.700 0.090 0.000 0.810 37 G N 1.713 110.571 108.800 0.095 0.000 2.195 37 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.224 37 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.224 37 G C 0.385 175.347 174.900 0.104 0.000 0.990 37 G CA -0.081 45.067 45.100 0.079 0.000 0.639 37 G HN 0.834 nan 8.290 nan 0.000 0.514 38 A N 0.479 123.394 122.820 0.158 0.000 2.425 38 A HA 0.623 4.943 4.320 -0.000 0.000 0.249 38 A C 0.435 178.178 177.584 0.265 0.000 1.084 38 A CA 0.873 53.047 52.037 0.228 0.000 0.781 38 A CB 0.277 19.445 19.000 0.280 0.000 1.019 38 A HN 1.289 nan 8.150 nan 0.000 0.490 39 E N 0.858 121.205 120.200 0.245 0.000 2.266 39 E HA 0.777 5.127 4.350 -0.000 0.000 0.268 39 E C -0.938 175.808 176.600 0.244 0.000 0.879 39 E CA -0.681 55.797 56.400 0.130 0.000 0.762 39 E CB 1.507 31.263 29.700 0.093 0.000 1.199 39 E HN 0.901 nan 8.360 nan 0.000 0.422 40 F N -0.913 119.093 119.950 0.093 0.000 2.807 40 F HA 0.560 5.087 4.527 -0.000 0.000 0.316 40 F C -1.662 174.125 175.800 -0.022 0.000 1.162 40 F CA -1.310 56.684 58.000 -0.009 0.000 0.910 40 F CB 1.042 40.046 39.000 0.007 0.000 1.314 40 F HN 0.315 nan 8.300 nan 0.000 0.454 41 K N 1.440 121.927 120.400 0.145 0.000 2.208 41 K HA 0.828 5.148 4.320 -0.000 0.000 0.247 41 K C -1.547 175.204 176.600 0.251 0.000 0.953 41 K CA -0.819 55.529 56.287 0.100 0.000 0.837 41 K CB 2.456 34.918 32.500 -0.064 0.000 1.131 41 K HN 0.612 nan 8.250 nan 0.000 0.431 42 L N 1.818 123.177 121.223 0.226 0.000 2.385 42 L HA 0.415 4.755 4.340 -0.000 0.000 0.273 42 L C -0.354 176.612 176.870 0.159 0.000 0.990 42 L CA -0.790 54.163 54.840 0.188 0.000 0.821 42 L CB 2.073 44.250 42.059 0.197 0.000 1.279 42 L HN 0.583 nan 8.230 nan 0.000 0.412 43 E N 1.080 121.345 120.200 0.108 0.000 2.283 43 E HA 0.604 4.954 4.350 -0.000 0.000 0.267 43 E C -0.636 175.986 176.600 0.035 0.000 1.045 43 E CA -0.498 55.957 56.400 0.092 0.000 0.884 43 E CB 2.030 31.750 29.700 0.034 0.000 1.106 43 E HN 0.631 nan 8.360 nan 0.000 0.408 44 T N -1.354 113.205 114.554 0.008 0.000 2.916 44 T HA 0.381 4.730 4.350 -0.000 0.000 0.305 44 T C -0.980 173.717 174.700 -0.006 0.000 1.119 44 T CA -0.799 61.314 62.100 0.021 0.000 1.008 44 T CB 0.316 69.208 68.868 0.040 0.000 1.129 44 T HN 0.256 nan 8.240 nan 0.000 0.480 45 Y N 1.756 122.091 120.300 0.058 0.000 2.326 45 Y HA 0.359 4.908 4.550 -0.000 0.000 0.333 45 Y C 1.278 177.260 175.900 0.138 0.000 1.240 45 Y CA -0.137 58.011 58.100 0.080 0.000 1.365 45 Y CB 0.586 39.085 38.460 0.064 0.000 1.289 45 Y HN 0.928 nan 8.280 nan 0.000 0.548 46 D N 1.179 121.786 120.400 0.345 0.000 2.390 46 D HA -0.169 4.471 4.640 -0.000 0.000 0.236 46 D C 1.044 177.654 176.300 0.518 0.000 1.189 46 D CA -0.402 53.839 54.000 0.401 0.000 0.887 46 D CB 0.385 41.451 40.800 0.443 0.000 1.198 46 D HN 0.645 nan 8.370 nan 0.000 0.444 47 W N 1.538 122.983 121.300 0.241 0.000 2.350 47 W HA -0.190 4.470 4.660 -0.000 0.000 0.289 47 W C 1.439 178.067 176.519 0.181 0.000 1.215 47 W CA 2.014 59.492 57.345 0.222 0.000 1.236 47 W CB -2.257 27.364 29.460 0.268 0.000 1.130 47 W HN 0.511 nan 8.180 nan 0.000 0.541 48 T N -2.397 112.064 114.554 -0.155 0.000 3.043 48 T HA 0.297 4.647 4.350 -0.000 0.000 0.263 48 T C 1.808 176.601 174.700 0.154 0.000 1.094 48 T CA 1.531 63.501 62.100 -0.217 0.000 1.127 48 T CB -0.720 67.954 68.868 -0.323 0.000 0.905 48 T HN 0.779 nan 8.240 nan 0.000 0.490 49 G N 0.237 109.174 108.800 0.228 0.000 2.136 49 G HA2 0.163 4.123 3.960 -0.000 0.000 0.242 49 G HA3 0.163 4.123 3.960 -0.000 0.000 0.242 49 G C 0.952 175.876 174.900 0.039 0.000 0.989 49 G CA 0.325 45.443 45.100 0.030 0.000 0.682 49 G HN 1.786 nan 8.290 nan 0.000 0.522 50 G N -1.807 107.064 108.800 0.119 0.000 2.318 50 G HA2 0.267 4.227 3.960 -0.000 0.000 0.172 50 G HA3 0.267 4.227 3.960 -0.000 0.000 0.172 50 G C 1.442 176.374 174.900 0.052 0.000 1.002 50 G CA 1.185 46.353 45.100 0.113 0.000 0.697 50 G HN 1.871 nan 8.290 nan 0.000 0.483 51 A N -0.082 122.738 122.820 0.001 0.000 1.978 51 A HA 0.342 4.662 4.320 -0.000 0.000 0.220 51 A C 1.153 178.681 177.584 -0.094 0.000 1.170 51 A CA 1.391 53.399 52.037 -0.047 0.000 0.636 51 A CB -0.226 18.727 19.000 -0.079 0.000 0.810 51 A HN 0.568 nan 8.150 nan 0.000 0.448 52 I N 0.299 120.760 120.570 -0.181 0.000 2.392 52 I HA 0.390 4.560 4.170 -0.000 0.000 0.295 52 I C -0.391 175.667 176.117 -0.098 0.000 0.985 52 I CA -0.676 60.430 61.300 -0.323 0.000 1.221 52 I CB 1.332 38.730 38.000 -1.002 0.000 1.366 52 I HN 0.026 nan 8.210 nan 0.000 0.467 53 K N 3.428 123.785 120.400 -0.071 0.000 2.221 53 K HA 0.306 4.626 4.320 -0.000 0.000 0.243 53 K C -0.157 176.298 176.600 -0.241 0.000 0.968 53 K CA -0.928 55.327 56.287 -0.054 0.000 0.846 53 K CB 1.313 33.761 32.500 -0.085 0.000 1.141 53 K HN 0.347 nan 8.250 nan 0.000 0.434 54 N N 2.643 120.953 118.700 -0.650 0.000 2.663 54 N HA 0.032 4.772 4.740 -0.000 0.000 0.250 54 N C -1.306 173.961 175.510 -0.405 0.000 1.129 54 N CA 0.143 52.697 53.050 -0.826 0.000 0.995 54 N CB -0.353 37.181 38.487 -1.589 0.000 1.324 54 N HN 0.575 nan 8.380 nan 0.000 0.512 55 D N -0.632 119.636 120.400 -0.219 0.000 2.825 55 D HA 0.284 4.924 4.640 -0.000 0.000 0.327 55 D C -0.939 175.337 176.300 -0.041 0.000 1.277 55 D CA -0.533 53.391 54.000 -0.128 0.000 0.950 55 D CB 0.186 40.918 40.800 -0.113 0.000 1.438 55 D HN -0.100 nan 8.370 nan 0.000 0.526 56 D N -0.641 119.746 120.400 -0.022 0.000 2.738 56 D HA 0.268 4.908 4.640 -0.000 0.000 0.246 56 D C -0.477 175.800 176.300 -0.038 0.000 1.270 56 D CA -0.019 53.989 54.000 0.013 0.000 0.833 56 D CB 0.099 40.933 40.800 0.057 0.000 1.040 56 D HN 0.397 nan 8.370 nan 0.000 0.487 57 S N -1.162 114.506 115.700 -0.055 0.000 2.548 57 S HA 0.676 5.145 4.470 -0.000 0.000 0.286 57 S C 0.408 174.970 174.600 -0.064 0.000 1.098 57 S CA -0.743 57.424 58.200 -0.055 0.000 0.930 57 S CB 2.350 65.527 63.200 -0.039 0.000 1.070 57 S HN -0.051 nan 8.310 nan 0.000 0.480 58 A N 1.532 124.317 122.820 -0.057 0.000 2.345 58 A HA 0.326 4.646 4.320 -0.000 0.000 0.225 58 A C 1.425 179.000 177.584 -0.015 0.000 1.243 58 A CA -0.059 51.947 52.037 -0.051 0.000 0.875 58 A CB -0.534 18.427 19.000 -0.065 0.000 0.929 58 A HN 0.920 nan 8.150 nan 0.000 0.502 59 E N 1.050 121.241 120.200 -0.014 0.000 2.110 59 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 59 E C 1.352 177.950 176.600 -0.002 0.000 0.988 59 E CA 1.289 57.688 56.400 -0.001 0.000 0.804 59 E CB -0.144 29.552 29.700 -0.007 0.000 0.745 59 E HN 0.834 nan 8.360 nan 0.000 0.458 60 D N 0.659 121.046 120.400 -0.021 0.000 2.149 60 D HA -0.159 4.481 4.640 -0.000 0.000 0.198 60 D C 1.941 178.238 176.300 -0.005 0.000 0.990 60 D CA 0.913 54.894 54.000 -0.031 0.000 0.839 60 D CB -0.612 40.150 40.800 -0.064 0.000 0.948 60 D HN 0.078 nan 8.370 nan 0.000 0.460 61 V N 0.434 120.363 119.914 0.025 0.000 2.307 61 V HA -0.199 3.921 4.120 -0.000 0.000 0.245 61 V C 2.780 178.979 176.094 0.175 0.000 1.045 61 V CA 1.799 64.176 62.300 0.128 0.000 1.024 61 V CB -0.751 31.142 31.823 0.117 0.000 0.651 61 V HN 0.193 nan 8.190 nan 0.000 0.449 62 R N 0.363 120.930 120.500 0.112 0.000 2.096 62 R HA -0.213 4.127 4.340 -0.000 0.000 0.240 62 R C 1.617 177.948 176.300 0.052 0.000 1.139 62 R CA 2.263 58.423 56.100 0.101 0.000 0.952 62 R CB -0.251 30.091 30.300 0.070 0.000 0.854 62 R HN 0.531 nan 8.270 nan 0.000 0.436 63 D N 0.125 120.538 120.400 0.022 0.000 2.349 63 D HA 0.014 4.654 4.640 -0.000 0.000 0.214 63 D C 0.356 176.633 176.300 -0.038 0.000 1.063 63 D CA -0.014 53.981 54.000 -0.009 0.000 0.847 63 D CB 0.184 40.979 40.800 -0.009 0.000 0.933 63 D HN 0.036 nan 8.370 nan 0.000 0.513 64 V N 1.811 121.697 119.914 -0.047 0.000 2.928 64 V HA -0.091 4.029 4.120 -0.000 0.000 0.307 64 V C -0.039 175.970 176.094 -0.143 0.000 1.105 64 V CA 0.181 62.424 62.300 -0.096 0.000 1.223 64 V CB 1.067 32.825 31.823 -0.107 0.000 0.930 64 V HN -0.047 nan 8.190 nan 0.000 0.499 65 D N 5.178 125.497 120.400 -0.136 0.000 2.468 65 D HA 0.186 4.826 4.640 -0.000 0.000 0.218 65 D C 0.945 177.123 176.300 -0.203 0.000 1.155 65 D CA -0.009 53.910 54.000 -0.134 0.000 0.924 65 D CB 0.418 41.175 40.800 -0.071 0.000 1.029 65 D HN 0.574 nan 8.370 nan 0.000 0.515 66 L N 2.220 123.283 121.223 -0.268 0.000 2.549 66 L HA -0.111 4.228 4.340 -0.000 0.000 0.229 66 L C 2.170 178.887 176.870 -0.255 0.000 1.158 66 L CA 0.627 55.257 54.840 -0.350 0.000 0.842 66 L CB -0.398 41.400 42.059 -0.435 0.000 0.952 66 L HN 0.341 nan 8.230 nan 0.000 0.452 67 S N -1.888 113.711 115.700 -0.170 0.000 2.481 67 S HA -0.124 4.346 4.470 -0.000 0.000 0.231 67 S C 1.993 176.505 174.600 -0.148 0.000 0.996 67 S CA 0.967 59.097 58.200 -0.115 0.000 0.942 67 S CB -0.581 62.585 63.200 -0.057 0.000 0.768 67 S HN 0.567 nan 8.310 nan 0.000 0.520 68 T N 1.035 115.470 114.554 -0.199 0.000 2.942 68 T HA 0.097 4.446 4.350 -0.000 0.000 0.265 68 T C 0.989 175.270 174.700 -0.698 0.000 1.062 68 T CA 0.446 62.374 62.100 -0.288 0.000 1.139 68 T CB -1.310 67.503 68.868 -0.091 0.000 0.883 68 T HN 0.575 nan 8.240 nan 0.000 0.468 69 V N 1.237 120.788 119.914 -0.604 0.000 2.872 69 V HA 0.369 4.489 4.120 -0.000 0.000 0.307 69 V C -0.598 175.211 176.094 -0.475 0.000 1.072 69 V CA -0.933 60.960 62.300 -0.678 0.000 1.148 69 V CB -0.175 31.174 31.823 -0.790 0.000 0.954 69 V HN 0.487 nan 8.190 nan 0.000 0.490 70 H N 3.454 122.360 119.070 -0.273 0.000 2.469 70 H HA 0.560 5.116 4.556 -0.000 0.000 0.342 70 H C -0.776 174.298 175.328 -0.424 0.000 1.115 70 H CA -0.622 55.296 56.048 -0.215 0.000 1.204 70 H CB 1.277 31.053 29.762 0.024 0.000 1.492 70 H HN 0.682 nan 8.280 nan 0.000 0.499 71 F N 3.437 123.375 119.950 -0.020 0.000 2.439 71 F HA 0.157 4.684 4.527 -0.000 0.000 0.356 71 F C 0.021 175.742 175.800 -0.131 0.000 1.161 71 F CA -0.347 57.553 58.000 -0.167 0.000 1.151 71 F CB 0.041 38.890 39.000 -0.251 0.000 1.222 71 F HN 0.170 nan 8.300 nan 0.000 0.558 72 L N 2.493 123.606 121.223 -0.183 0.000 2.343 72 L HA 0.438 4.778 4.340 -0.000 0.000 0.275 72 L C 0.164 176.922 176.870 -0.186 0.000 1.056 72 L CA -0.715 53.968 54.840 -0.262 0.000 0.804 72 L CB 1.478 43.171 42.059 -0.609 0.000 1.203 72 L HN 0.378 nan 8.230 nan 0.000 0.440 73 S N 0.957 116.624 115.700 -0.054 0.000 2.475 73 S HA 0.795 5.265 4.470 -0.000 0.000 0.281 73 S C 0.340 174.965 174.600 0.041 0.000 1.198 73 S CA -0.082 58.129 58.200 0.017 0.000 1.063 73 S CB 1.372 64.604 63.200 0.053 0.000 0.972 73 S HN 0.971 nan 8.310 nan 0.000 0.486 74 G N 3.972 112.824 108.800 0.087 0.000 2.340 74 G HA2 0.158 4.117 3.960 -0.000 0.000 0.282 74 G HA3 0.158 4.117 3.960 -0.000 0.000 0.282 74 G C -3.696 171.281 174.900 0.128 0.000 1.312 74 G CA -1.040 44.121 45.100 0.102 0.000 0.942 74 G HN 0.429 nan 8.290 nan 0.000 0.495 75 P HA 0.473 nan 4.420 nan 0.000 0.280 75 P C -0.151 177.075 177.300 -0.124 0.000 1.244 75 P CA -0.380 62.706 63.100 -0.023 0.000 0.784 75 P CB 1.507 33.153 31.700 -0.091 0.000 0.913 76 V N 3.876 123.726 119.914 -0.107 0.000 2.432 76 V HA 0.429 4.548 4.120 -0.000 0.000 0.271 76 V C 1.104 177.004 176.094 -0.323 0.000 1.046 76 V CA -0.063 62.117 62.300 -0.200 0.000 0.945 76 V CB 0.658 32.434 31.823 -0.078 0.000 0.992 76 V HN 0.703 nan 8.190 nan 0.000 0.471 77 G N 3.870 112.291 108.800 -0.632 0.000 2.395 77 G HA2 0.526 4.486 3.960 -0.000 0.000 0.283 77 G HA3 0.526 4.486 3.960 -0.000 0.000 0.283 77 G C -0.798 173.840 174.900 -0.437 0.000 1.178 77 G CA -0.300 44.208 45.100 -0.986 0.000 0.837 77 G HN 0.571 nan 8.290 nan 0.000 0.518 78 V N 2.829 122.654 119.914 -0.149 0.000 2.407 78 V HA 0.260 4.380 4.120 -0.000 0.000 0.291 78 V C 0.234 176.523 176.094 0.326 0.000 1.018 78 V CA -1.087 61.290 62.300 0.129 0.000 0.842 78 V CB 1.492 33.372 31.823 0.095 0.000 0.996 78 V HN 0.723 nan 8.190 nan 0.000 0.426 79 K N 3.289 123.928 120.400 0.398 0.000 2.419 79 K HA 0.375 4.695 4.320 -0.000 0.000 0.282 79 K C 1.227 177.941 176.600 0.190 0.000 1.056 79 K CA 0.990 57.469 56.287 0.320 0.000 1.035 79 K CB 0.383 32.987 32.500 0.173 0.000 0.921 79 K HN 1.144 nan 8.250 nan 0.000 0.472 80 G N 1.744 110.647 108.800 0.171 0.000 2.194 80 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.236 80 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.236 80 G C 0.179 175.146 174.900 0.111 0.000 0.987 80 G CA -0.119 45.047 45.100 0.110 0.000 0.635 80 G HN 0.801 nan 8.290 nan 0.000 0.520 81 A N 0.465 123.368 122.820 0.140 0.000 2.492 81 A HA 0.595 4.915 4.320 -0.000 0.000 0.254 81 A C 0.393 178.036 177.584 0.098 0.000 1.091 81 A CA 0.708 52.811 52.037 0.109 0.000 0.768 81 A CB 0.155 19.218 19.000 0.105 0.000 1.028 81 A HN 0.546 nan 8.150 nan 0.000 0.498 82 E N 2.883 123.124 120.200 0.069 0.000 2.277 82 E HA 0.424 4.774 4.350 -0.000 0.000 0.266 82 E C -2.778 173.841 176.600 0.032 0.000 0.901 82 E CA -2.352 54.081 56.400 0.056 0.000 0.782 82 E CB 1.342 31.071 29.700 0.048 0.000 1.228 82 E HN 0.363 nan 8.360 nan 0.000 0.424 83 P HA -0.031 nan 4.420 nan 0.000 0.264 83 P C 0.570 177.860 177.300 -0.016 0.000 1.183 83 P CA 1.149 64.251 63.100 0.003 0.000 0.763 83 P CB 0.354 32.074 31.700 0.032 0.000 0.807 84 G N 1.547 110.309 108.800 -0.064 0.000 2.175 84 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.244 84 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.244 84 G C 0.087 174.975 174.900 -0.020 0.000 0.982 84 G CA -0.223 44.850 45.100 -0.045 0.000 0.641 84 G HN 0.483 nan 8.290 nan 0.000 0.527 85 D N -0.032 120.361 120.400 -0.012 0.000 2.377 85 D HA 0.597 5.237 4.640 -0.000 0.000 0.245 85 D C 0.872 177.192 176.300 0.033 0.000 1.196 85 D CA -0.033 53.983 54.000 0.026 0.000 0.962 85 D CB 0.797 41.623 40.800 0.043 0.000 1.127 85 D HN 0.258 nan 8.370 nan 0.000 0.471 86 L N 1.155 122.430 121.223 0.086 0.000 2.307 86 L HA 0.330 4.670 4.340 -0.000 0.000 0.284 86 L C -0.471 176.481 176.870 0.137 0.000 1.023 86 L CA -1.046 53.869 54.840 0.125 0.000 0.810 86 L CB 1.435 43.602 42.059 0.180 0.000 1.231 86 L HN 0.108 nan 8.230 nan 0.000 0.423 87 L N 4.727 126.043 121.223 0.156 0.000 2.261 87 L HA 0.350 4.690 4.340 -0.000 0.000 0.289 87 L C -0.409 176.530 176.870 0.115 0.000 1.059 87 L CA -0.088 54.842 54.840 0.151 0.000 0.816 87 L CB 1.205 43.370 42.059 0.177 0.000 1.191 87 L HN 0.255 nan 8.230 nan 0.000 0.431 88 V N 6.368 126.292 119.914 0.016 0.000 2.408 88 V HA 0.280 4.400 4.120 -0.000 0.000 0.267 88 V C 0.001 176.004 176.094 -0.152 0.000 1.047 88 V CA -0.494 61.683 62.300 -0.205 0.000 0.937 88 V CB 1.072 32.771 31.823 -0.207 0.000 0.999 88 V HN 0.491 nan 8.190 nan 0.000 0.472 89 V N 4.602 124.396 119.914 -0.200 0.000 2.357 89 V HA 0.362 4.481 4.120 -0.000 0.000 0.284 89 V C -0.238 175.736 176.094 -0.201 0.000 1.018 89 V CA -0.760 61.475 62.300 -0.108 0.000 0.841 89 V CB 1.550 33.415 31.823 0.070 0.000 0.991 89 V HN 0.774 nan 8.190 nan 0.000 0.437 90 D N 5.145 125.437 120.400 -0.180 0.000 2.295 90 D HA 0.332 4.972 4.640 -0.000 0.000 0.248 90 D C -0.137 176.061 176.300 -0.170 0.000 1.154 90 D CA -0.048 53.843 54.000 -0.181 0.000 0.857 90 D CB 2.112 42.814 40.800 -0.163 0.000 1.117 90 D HN 0.377 nan 8.370 nan 0.000 0.468 91 L N 3.712 124.837 121.223 -0.163 0.000 2.312 91 L HA 0.184 4.524 4.340 -0.000 0.000 0.287 91 L C 1.640 178.409 176.870 -0.167 0.000 1.091 91 L CA -0.349 54.398 54.840 -0.155 0.000 0.846 91 L CB 0.682 42.649 42.059 -0.153 0.000 1.219 91 L HN 0.272 nan 8.230 nan 0.000 0.439 92 L N 1.437 122.539 121.223 -0.201 0.000 2.209 92 L HA 0.174 4.514 4.340 -0.000 0.000 0.207 92 L C 0.354 177.108 176.870 -0.194 0.000 1.094 92 L CA 0.831 55.510 54.840 -0.269 0.000 0.790 92 L CB 0.005 41.748 42.059 -0.526 0.000 0.932 92 L HN 0.635 nan 8.230 nan 0.000 0.447 93 D N -1.712 118.634 120.400 -0.090 0.000 2.694 93 D HA 0.523 5.163 4.640 -0.000 0.000 0.260 93 D C -1.453 174.795 176.300 -0.087 0.000 1.250 93 D CA -0.377 53.616 54.000 -0.012 0.000 0.763 93 D CB 1.932 42.846 40.800 0.191 0.000 1.311 93 D HN -0.151 nan 8.370 nan 0.000 0.420 94 I N 0.500 120.822 120.570 -0.413 0.000 2.775 94 I HA 0.744 4.913 4.170 -0.000 0.000 0.295 94 I C 0.195 175.583 176.117 -1.216 0.000 1.287 94 I CA -0.575 60.222 61.300 -0.838 0.000 1.029 94 I CB 2.408 40.091 38.000 -0.529 0.000 1.282 94 I HN 0.450 nan 8.210 nan 0.000 0.426 95 G N 2.611 110.264 108.800 -1.911 0.000 2.645 95 G HA2 0.776 4.736 3.960 -0.000 0.000 0.292 95 G HA3 0.776 4.736 3.960 -0.000 0.000 0.292 95 G C -1.726 172.647 174.900 -0.879 0.000 1.415 95 G CA -0.441 43.945 45.100 -1.191 0.000 0.785 95 G HN 0.774 nan 8.290 nan 0.000 0.483 96 A N -0.264 122.408 122.820 -0.245 0.000 2.304 96 A HA 0.743 5.063 4.320 -0.000 0.000 0.271 96 A C 0.616 178.363 177.584 0.271 0.000 1.091 96 A CA -0.396 51.652 52.037 0.019 0.000 0.812 96 A CB 0.417 19.538 19.000 0.201 0.000 1.056 96 A HN 0.665 nan 8.150 nan 0.000 0.489 97 R N 0.457 121.106 120.500 0.248 0.000 2.594 97 R HA 0.089 4.429 4.340 -0.000 0.000 0.272 97 R C 0.174 176.598 176.300 0.206 0.000 1.074 97 R CA -0.464 55.795 56.100 0.264 0.000 1.105 97 R CB 0.511 30.905 30.300 0.157 0.000 1.008 97 R HN 0.829 nan 8.270 nan 0.000 0.472 98 D N 1.485 121.984 120.400 0.165 0.000 2.218 98 D HA -0.140 4.499 4.640 -0.000 0.000 0.204 98 D C 0.619 176.988 176.300 0.114 0.000 0.976 98 D CA 1.265 55.343 54.000 0.130 0.000 0.853 98 D CB 0.175 41.025 40.800 0.083 0.000 0.939 98 D HN 0.572 nan 8.370 nan 0.000 0.481 99 D N -1.306 119.157 120.400 0.106 0.000 2.328 99 D HA 0.023 4.663 4.640 -0.000 0.000 0.221 99 D C 0.094 176.480 176.300 0.144 0.000 1.072 99 D CA -0.029 54.034 54.000 0.105 0.000 0.850 99 D CB 0.143 40.991 40.800 0.081 0.000 0.922 99 D HN -0.137 nan 8.370 nan 0.000 0.516 100 S N 0.149 115.936 115.700 0.146 0.000 2.606 100 S HA 0.257 4.727 4.470 -0.000 0.000 0.156 100 S C -0.380 174.250 174.600 0.051 0.000 1.308 100 S CA -0.624 57.651 58.200 0.125 0.000 1.228 100 S CB -0.724 62.498 63.200 0.035 0.000 1.568 100 S HN 0.211 nan 8.310 nan 0.000 0.397 101 L N 4.130 125.445 121.223 0.153 0.000 2.998 101 L HA 0.457 4.797 4.340 -0.000 0.000 0.234 101 L C -0.053 176.648 176.870 -0.281 0.000 1.350 101 L CA -0.320 54.581 54.840 0.102 0.000 1.202 101 L CB -0.359 41.764 42.059 0.108 0.000 1.583 101 L HN 0.567 nan 8.230 nan 0.000 0.456 102 W N -0.707 120.226 121.300 -0.612 0.000 3.074 102 W HA 0.776 5.435 4.660 -0.000 0.000 0.332 102 W C -0.721 175.457 176.519 -0.569 0.000 1.253 102 W CA -1.109 55.699 57.345 -0.895 0.000 1.180 102 W CB 1.091 30.335 29.460 -0.359 0.000 1.445 102 W HN -0.040 nan 8.180 nan 0.000 0.573 103 G N 0.676 109.299 108.800 -0.296 0.000 2.727 103 G HA2 0.846 4.806 3.960 -0.000 0.000 0.289 103 G HA3 0.846 4.806 3.960 -0.000 0.000 0.289 103 G C -2.316 172.881 174.900 0.496 0.000 1.418 103 G CA -1.018 44.098 45.100 0.027 0.000 0.818 103 G HN 0.907 nan 8.290 nan 0.000 0.486 104 F N -0.709 119.427 119.950 0.311 0.000 2.588 104 F HA 0.718 5.245 4.527 -0.000 0.000 0.310 104 F C -0.862 175.107 175.800 0.281 0.000 1.082 104 F CA -1.368 56.872 58.000 0.399 0.000 0.929 104 F CB 2.058 41.297 39.000 0.398 0.000 1.254 104 F HN 0.520 nan 8.300 nan 0.000 0.455 105 N N 0.832 119.779 118.700 0.413 0.000 2.319 105 N HA 0.777 5.517 4.740 -0.000 0.000 0.305 105 N C -1.079 174.553 175.510 0.203 0.000 1.103 105 N CA -0.488 52.686 53.050 0.206 0.000 0.815 105 N CB 2.370 41.018 38.487 0.269 0.000 1.288 105 N HN 1.161 nan 8.380 nan 0.000 0.493 106 G N 0.980 109.815 108.800 0.059 0.000 2.684 106 G HA2 0.554 4.514 3.960 -0.000 0.000 0.290 106 G HA3 0.554 4.514 3.960 -0.000 0.000 0.290 106 G C -1.689 173.159 174.900 -0.087 0.000 1.425 106 G CA -0.706 44.326 45.100 -0.113 0.000 0.822 106 G HN 0.466 nan 8.290 nan 0.000 0.482 107 F N 0.506 120.372 119.950 -0.140 0.000 2.411 107 F HA 0.495 5.022 4.527 -0.000 0.000 0.352 107 F C 0.231 176.052 175.800 0.035 0.000 1.123 107 F CA -1.143 56.803 58.000 -0.090 0.000 1.044 107 F CB 1.246 40.285 39.000 0.065 0.000 1.135 107 F HN 0.206 nan 8.300 nan 0.000 0.461 108 F N 1.129 121.282 119.950 0.339 0.000 2.545 108 F HA 0.050 4.577 4.527 -0.000 0.000 0.348 108 F C 1.287 177.248 175.800 0.268 0.000 1.163 108 F CA -0.394 57.751 58.000 0.243 0.000 1.331 108 F CB 0.577 39.702 39.000 0.208 0.000 1.138 108 F HN 0.513 nan 8.300 nan 0.000 0.602 109 S N 1.922 117.868 115.700 0.410 0.000 2.568 109 S HA 0.006 4.476 4.470 -0.000 0.000 0.282 109 S C 1.202 175.974 174.600 0.285 0.000 1.338 109 S CA -0.680 57.697 58.200 0.294 0.000 1.045 109 S CB 0.947 64.264 63.200 0.194 0.000 0.873 109 S HN 0.750 nan 8.310 nan 0.000 0.516 110 K N 1.723 122.270 120.400 0.245 0.000 2.211 110 K HA -0.127 4.193 4.320 -0.000 0.000 0.204 110 K C 1.682 178.375 176.600 0.156 0.000 1.047 110 K CA 1.414 57.826 56.287 0.209 0.000 0.935 110 K CB -0.076 32.522 32.500 0.164 0.000 0.728 110 K HN 0.614 nan 8.250 nan 0.000 0.452 111 Q N -0.032 119.844 119.800 0.127 0.000 2.369 111 Q HA -0.075 4.265 4.340 -0.000 0.000 0.206 111 Q C 0.236 176.273 176.000 0.062 0.000 0.963 111 Q CA 0.848 56.702 55.803 0.085 0.000 0.894 111 Q CB -0.036 28.744 28.738 0.070 0.000 0.965 111 Q HN 0.187 nan 8.270 nan 0.000 0.475 112 N N -0.955 117.786 118.700 0.069 0.000 2.726 112 N HA 0.325 5.065 4.740 -0.000 0.000 0.253 112 N C -0.016 175.437 175.510 -0.095 0.000 1.530 112 N CA 0.536 53.574 53.050 -0.020 0.000 0.772 112 N CB 0.490 38.955 38.487 -0.037 0.000 1.220 112 N HN 0.133 nan 8.380 nan 0.000 0.508 113 G N 0.140 108.936 108.800 -0.006 0.000 2.561 113 G HA2 0.093 4.053 3.960 -0.000 0.000 0.203 113 G HA3 0.093 4.053 3.960 -0.000 0.000 0.203 113 G C 0.823 175.984 174.900 0.435 0.000 1.101 113 G CA 0.341 45.464 45.100 0.038 0.000 0.711 113 G HN 1.330 nan 8.290 nan 0.000 0.511 114 G N -0.371 108.716 108.800 0.479 0.000 2.562 114 G HA2 0.466 4.426 3.960 -0.000 0.000 0.250 114 G HA3 0.466 4.426 3.960 -0.000 0.000 0.250 114 G C 1.150 176.459 174.900 0.680 0.000 1.269 114 G CA 1.198 46.594 45.100 0.494 0.000 0.919 114 G HN 2.814 nan 8.290 nan 0.000 0.574 115 G N -3.679 105.425 108.800 0.506 0.000 2.320 115 G HA2 0.536 4.496 3.960 -0.000 0.000 0.297 115 G HA3 0.536 4.496 3.960 -0.000 0.000 0.297 115 G C 0.186 175.312 174.900 0.377 0.000 1.344 115 G CA 0.133 45.522 45.100 0.482 0.000 0.851 115 G HN 1.588 nan 8.290 nan 0.000 0.567 116 F N -0.061 120.010 119.950 0.202 0.000 2.171 116 F HA 0.223 4.750 4.527 -0.000 0.000 0.300 116 F C 1.922 177.778 175.800 0.094 0.000 1.090 116 F CA 1.467 59.540 58.000 0.121 0.000 1.293 116 F CB 0.100 39.166 39.000 0.110 0.000 1.013 116 F HN 0.151 nan 8.300 nan 0.000 0.486 117 L N 0.591 121.871 121.223 0.094 0.000 3.062 117 L HA 0.147 4.487 4.340 -0.000 0.000 0.255 117 L C 1.086 178.032 176.870 0.127 0.000 1.274 117 L CA -0.009 54.778 54.840 -0.088 0.000 1.047 117 L CB -0.384 41.364 42.059 -0.517 0.000 1.402 117 L HN 0.055 nan 8.230 nan 0.000 0.550 118 D N -0.484 120.030 120.400 0.190 0.000 2.263 118 D HA -0.229 4.411 4.640 -0.000 0.000 0.208 118 D C 1.450 177.817 176.300 0.112 0.000 0.971 118 D CA 1.020 55.156 54.000 0.226 0.000 0.867 118 D CB 0.157 41.109 40.800 0.253 0.000 0.929 118 D HN 0.197 nan 8.370 nan 0.000 0.492 119 E N -0.109 120.098 120.200 0.012 0.000 2.274 119 E HA -0.116 4.234 4.350 -0.000 0.000 0.194 119 E C 1.600 178.001 176.600 -0.332 0.000 0.996 119 E CA 0.730 57.036 56.400 -0.157 0.000 0.840 119 E CB -0.237 29.316 29.700 -0.245 0.000 0.772 119 E HN 0.681 nan 8.360 nan 0.000 0.491 120 H N -1.790 117.164 119.070 -0.193 0.000 2.604 120 H HA 0.150 4.706 4.556 -0.000 0.000 0.273 120 H C 0.064 174.944 175.328 -0.747 0.000 0.971 120 H CA 0.310 56.074 56.048 -0.474 0.000 1.249 120 H CB 0.521 29.930 29.762 -0.588 0.000 1.449 120 H HN 0.026 nan 8.280 nan 0.000 0.512 121 F N 1.821 121.817 119.950 0.077 0.000 2.622 121 F HA 0.273 4.800 4.527 -0.000 0.000 0.338 121 F C -1.949 173.986 175.800 0.224 0.000 1.334 121 F CA -1.788 56.308 58.000 0.159 0.000 1.179 121 F CB 1.567 40.656 39.000 0.148 0.000 1.471 121 F HN -0.048 nan 8.300 nan 0.000 0.576 122 P HA 0.022 nan 4.420 nan 0.000 0.240 122 P C 0.140 177.596 177.300 0.261 0.000 1.190 122 P CA 0.820 64.059 63.100 0.231 0.000 0.781 122 P CB 0.876 32.651 31.700 0.124 0.000 0.931 123 L N 0.240 121.637 121.223 0.289 0.000 2.307 123 L HA 0.509 4.848 4.340 -0.000 0.000 0.282 123 L C 0.728 177.780 176.870 0.304 0.000 1.051 123 L CA -1.314 53.677 54.840 0.251 0.000 0.804 123 L CB 1.100 43.279 42.059 0.199 0.000 1.197 123 L HN -0.134 nan 8.230 nan 0.000 0.431 124 A N 3.907 126.864 122.820 0.228 0.000 2.511 124 A HA 0.346 4.666 4.320 -0.000 0.000 0.242 124 A C -0.146 177.471 177.584 0.054 0.000 1.069 124 A CA 0.209 52.358 52.037 0.188 0.000 0.763 124 A CB 0.240 19.339 19.000 0.165 0.000 1.001 124 A HN 0.809 nan 8.150 nan 0.000 0.498 125 Q N 0.361 120.082 119.800 -0.132 0.000 2.605 125 Q HA 0.702 5.042 4.340 -0.000 0.000 0.296 125 Q C -1.080 174.654 176.000 -0.444 0.000 1.056 125 Q CA -0.985 54.587 55.803 -0.386 0.000 0.778 125 Q CB 2.471 30.792 28.738 -0.695 0.000 1.497 125 Q HN 0.727 nan 8.270 nan 0.000 0.443 126 K N 0.582 120.729 120.400 -0.422 0.000 2.557 126 K HA 0.409 4.729 4.320 -0.000 0.000 0.257 126 K C -1.763 174.659 176.600 -0.297 0.000 0.933 126 K CA -0.274 55.856 56.287 -0.261 0.000 0.820 126 K CB 1.951 34.378 32.500 -0.122 0.000 1.330 126 K HN 0.748 nan 8.250 nan 0.000 0.432 127 S N 4.057 119.718 115.700 -0.066 0.000 2.513 127 S HA 0.621 5.091 4.470 -0.000 0.000 0.299 127 S C -0.452 174.293 174.600 0.242 0.000 1.087 127 S CA -0.980 57.253 58.200 0.055 0.000 1.012 127 S CB 1.173 64.423 63.200 0.082 0.000 1.044 127 S HN 0.413 nan 8.310 nan 0.000 0.485 128 I N 1.953 122.658 120.570 0.225 0.000 2.441 128 I HA 0.458 4.627 4.170 -0.000 0.000 0.295 128 I C -1.184 174.843 176.117 -0.149 0.000 0.994 128 I CA -0.731 60.683 61.300 0.190 0.000 1.144 128 I CB 1.426 39.507 38.000 0.135 0.000 1.314 128 I HN 0.838 nan 8.210 nan 0.000 0.445 129 W N 4.121 125.476 121.300 0.092 0.000 2.656 129 W HA 0.418 5.078 4.660 -0.000 0.000 0.327 129 W C -0.267 176.076 176.519 -0.293 0.000 1.041 129 W CA -0.518 56.793 57.345 -0.056 0.000 1.229 129 W CB 1.170 30.628 29.460 -0.004 0.000 1.397 129 W HN 0.297 nan 8.180 nan 0.000 0.479 130 D N 2.373 122.722 120.400 -0.085 0.000 2.163 130 D HA 0.326 4.966 4.640 -0.000 0.000 0.248 130 D C -0.823 175.299 176.300 -0.296 0.000 1.035 130 D CA -0.377 53.449 54.000 -0.290 0.000 0.872 130 D CB 1.387 42.109 40.800 -0.130 0.000 1.183 130 D HN 0.123 nan 8.370 nan 0.000 0.445 131 F N 1.278 121.048 119.950 -0.300 0.000 2.410 131 F HA 0.219 4.746 4.527 -0.000 0.000 0.349 131 F C 1.110 176.722 175.800 -0.313 0.000 1.117 131 F CA -0.705 57.069 58.000 -0.376 0.000 1.104 131 F CB 1.070 39.809 39.000 -0.434 0.000 1.122 131 F HN 0.142 nan 8.300 nan 0.000 0.483 132 H N 3.563 122.778 119.070 0.242 0.000 2.539 132 H HA 0.267 4.823 4.556 -0.000 0.000 0.247 132 H C 0.849 176.372 175.328 0.324 0.000 1.363 132 H CA 0.141 56.331 56.048 0.237 0.000 1.371 132 H CB 0.729 30.603 29.762 0.186 0.000 1.438 132 H HN 0.969 nan 8.280 nan 0.000 0.523 133 G N 2.235 111.237 108.800 0.337 0.000 2.620 133 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.315 133 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.315 133 G C 1.111 176.180 174.900 0.282 0.000 1.179 133 G CA 0.894 46.169 45.100 0.291 0.000 0.971 133 G HN 0.523 nan 8.290 nan 0.000 0.544 134 M N 0.368 120.064 119.600 0.161 0.000 2.541 134 M HA 0.379 4.859 4.480 -0.000 0.000 0.252 134 M C 0.262 176.483 176.300 -0.132 0.000 1.125 134 M CA 0.412 55.623 55.300 -0.148 0.000 1.091 134 M CB 0.220 32.516 32.600 -0.508 0.000 1.420 134 M HN 0.172 nan 8.290 nan 0.000 0.486 135 F N -0.869 119.279 119.950 0.329 0.000 2.497 135 F HA 0.558 5.085 4.527 -0.000 0.000 0.331 135 F C 0.503 176.465 175.800 0.270 0.000 1.060 135 F CA -0.694 57.475 58.000 0.281 0.000 0.989 135 F CB 1.491 40.599 39.000 0.180 0.000 1.245 135 F HN -0.327 nan 8.300 nan 0.000 0.486 136 T N 0.838 115.567 114.554 0.291 0.000 2.864 136 T HA 0.676 5.026 4.350 -0.000 0.000 0.299 136 T C -1.672 173.084 174.700 0.093 0.000 1.166 136 T CA -0.766 61.424 62.100 0.149 0.000 1.007 136 T CB 1.412 70.254 68.868 -0.042 0.000 1.219 136 T HN 0.797 nan 8.240 nan 0.000 0.506 137 K N 0.019 120.569 120.400 0.250 0.000 2.642 137 K HA 0.650 4.970 4.320 -0.000 0.000 0.290 137 K C -1.711 174.837 176.600 -0.087 0.000 1.006 137 K CA -0.972 55.392 56.287 0.129 0.000 0.869 137 K CB 1.329 33.835 32.500 0.010 0.000 1.499 137 K HN 0.507 nan 8.250 nan 0.000 0.403 138 S N -0.031 115.386 115.700 -0.471 0.000 2.521 138 S HA 0.291 4.761 4.470 -0.000 0.000 0.295 138 S C 0.633 174.968 174.600 -0.442 0.000 1.098 138 S CA -0.808 56.948 58.200 -0.739 0.000 0.999 138 S CB 1.435 63.653 63.200 -1.637 0.000 1.034 138 S HN 0.779 nan 8.310 nan 0.000 0.483 139 R N 2.893 123.119 120.500 -0.456 0.000 2.241 139 R HA -0.042 4.298 4.340 -0.000 0.000 0.224 139 R C 0.665 176.736 176.300 -0.381 0.000 1.101 139 R CA 1.724 57.585 56.100 -0.399 0.000 0.995 139 R CB -0.688 29.343 30.300 -0.449 0.000 0.870 139 R HN 0.775 nan 8.270 nan 0.000 0.463 140 H N 0.156 119.101 119.070 -0.208 0.000 2.551 140 H HA 0.315 4.871 4.556 -0.000 0.000 0.266 140 H C 0.125 175.415 175.328 -0.064 0.000 0.964 140 H CA 0.197 56.163 56.048 -0.136 0.000 1.180 140 H CB 0.518 30.183 29.762 -0.162 0.000 1.408 140 H HN 0.094 nan 8.280 nan 0.000 0.563 141 I N 2.077 122.638 120.570 -0.015 0.000 2.563 141 I HA 0.260 4.430 4.170 -0.000 0.000 0.276 141 I C -2.668 173.550 176.117 0.167 0.000 1.074 141 I CA -2.166 59.209 61.300 0.126 0.000 1.124 141 I CB 1.801 39.853 38.000 0.086 0.000 1.225 141 I HN -0.159 nan 8.210 nan 0.000 0.482 142 P HA 0.232 nan 4.420 nan 0.000 0.272 142 P C 0.979 178.494 177.300 0.360 0.000 1.223 142 P CA 0.405 63.624 63.100 0.198 0.000 0.784 142 P CB 0.881 32.654 31.700 0.121 0.000 0.923 143 G N -0.206 108.770 108.800 0.294 0.000 2.179 143 G HA2 -0.175 3.784 3.960 -0.000 0.000 0.260 143 G HA3 -0.175 3.784 3.960 -0.000 0.000 0.260 143 G C -0.170 174.942 174.900 0.354 0.000 0.977 143 G CA -0.008 45.352 45.100 0.434 0.000 0.641 143 G HN 0.536 nan 8.290 nan 0.000 0.533 144 V N 1.310 121.361 119.914 0.229 0.000 2.448 144 V HA 0.673 4.793 4.120 -0.000 0.000 0.295 144 V C -0.326 175.853 176.094 0.141 0.000 1.025 144 V CA -1.052 61.318 62.300 0.117 0.000 0.859 144 V CB 1.814 33.720 31.823 0.138 0.000 0.988 144 V HN 0.329 nan 8.190 nan 0.000 0.431 145 N N 4.405 123.187 118.700 0.137 0.000 2.369 145 N HA 0.663 5.403 4.740 -0.000 0.000 0.287 145 N C -1.411 174.269 175.510 0.283 0.000 1.067 145 N CA -0.226 52.900 53.050 0.127 0.000 0.888 145 N CB 3.034 41.553 38.487 0.052 0.000 1.616 145 N HN 0.659 nan 8.380 nan 0.000 0.482 146 F N -0.690 119.426 119.950 0.276 0.000 2.668 146 F HA 0.783 5.310 4.527 -0.000 0.000 0.309 146 F C -0.635 175.457 175.800 0.486 0.000 1.117 146 F CA -1.351 56.857 58.000 0.347 0.000 0.951 146 F CB 0.670 39.759 39.000 0.150 0.000 1.323 146 F HN 0.356 nan 8.300 nan 0.000 0.451 147 A N 1.231 124.428 122.820 0.628 0.000 2.440 147 A HA 0.599 4.919 4.320 -0.000 0.000 0.251 147 A C 0.467 178.188 177.584 0.229 0.000 1.089 147 A CA 0.110 52.203 52.037 0.092 0.000 0.779 147 A CB -0.320 18.579 19.000 -0.168 0.000 1.022 147 A HN 1.423 nan 8.150 nan 0.000 0.492 148 G N 0.271 109.090 108.800 0.031 0.000 2.444 148 G HA2 0.469 4.429 3.960 -0.000 0.000 0.268 148 G HA3 0.469 4.429 3.960 -0.000 0.000 0.268 148 G C -0.474 174.292 174.900 -0.224 0.000 1.203 148 G CA -0.379 44.681 45.100 -0.067 0.000 0.835 148 G HN 0.866 nan 8.290 nan 0.000 0.543 149 L N 3.621 124.775 121.223 -0.114 0.000 2.353 149 L HA 0.447 4.787 4.340 -0.000 0.000 0.269 149 L C 0.056 176.875 176.870 -0.086 0.000 1.085 149 L CA -0.754 54.010 54.840 -0.127 0.000 0.938 149 L CB -0.011 42.001 42.059 -0.077 0.000 1.312 149 L HN 0.364 nan 8.230 nan 0.000 0.429 150 I N 5.966 126.364 120.570 -0.288 0.000 2.396 150 I HA 0.266 4.436 4.170 -0.000 0.000 0.289 150 I C -0.062 175.929 176.117 -0.210 0.000 1.056 150 I CA -0.149 60.920 61.300 -0.385 0.000 1.365 150 I CB 0.077 37.696 38.000 -0.634 0.000 1.407 150 I HN 0.622 nan 8.210 nan 0.000 0.509 151 H N 6.521 125.405 119.070 -0.310 0.000 3.046 151 H HA 0.490 5.046 4.556 -0.000 0.000 0.361 151 H C -3.208 171.921 175.328 -0.330 0.000 1.235 151 H CA -2.760 53.112 56.048 -0.292 0.000 1.146 151 H CB 1.786 31.398 29.762 -0.251 0.000 1.859 151 H HN 0.196 nan 8.280 nan 0.000 0.548 152 P HA 0.120 nan 4.420 nan 0.000 0.287 152 P C 0.971 178.050 177.300 -0.368 0.000 1.281 152 P CA 0.081 62.966 63.100 -0.358 0.000 0.781 152 P CB 1.253 32.820 31.700 -0.221 0.000 0.903 153 G N 3.532 111.933 108.800 -0.664 0.000 2.443 153 G HA2 -0.065 3.894 3.960 -0.000 0.000 0.219 153 G HA3 -0.065 3.894 3.960 -0.000 0.000 0.219 153 G C 0.230 174.951 174.900 -0.298 0.000 1.131 153 G CA 0.346 45.113 45.100 -0.556 0.000 0.775 153 G HN 0.493 nan 8.290 nan 0.000 0.547 154 L N -0.157 120.898 121.223 -0.281 0.000 2.439 154 L HA 0.784 5.124 4.340 -0.000 0.000 0.270 154 L C -1.658 175.145 176.870 -0.111 0.000 0.972 154 L CA -0.889 53.838 54.840 -0.189 0.000 0.836 154 L CB 2.186 44.088 42.059 -0.263 0.000 1.255 154 L HN 0.085 nan 8.230 nan 0.000 0.404 155 I N 3.912 124.439 120.570 -0.071 0.000 2.785 155 I HA 0.812 4.981 4.170 -0.000 0.000 0.293 155 I C -0.959 175.004 176.117 -0.256 0.000 1.446 155 I CA 0.058 61.308 61.300 -0.083 0.000 1.028 155 I CB 2.164 40.146 38.000 -0.031 0.000 1.349 155 I HN 0.683 nan 8.210 nan 0.000 0.438 156 G N 4.730 113.266 108.800 -0.441 0.000 2.316 156 G HA2 0.394 4.354 3.960 -0.000 0.000 0.296 156 G HA3 0.394 4.354 3.960 -0.000 0.000 0.296 156 G C -1.888 172.785 174.900 -0.378 0.000 1.399 156 G CA -0.528 44.117 45.100 -0.760 0.000 0.833 156 G HN 0.743 nan 8.290 nan 0.000 0.565 157 C N -0.339 118.796 119.300 -0.276 0.000 2.349 157 C HA 0.737 5.197 4.460 -0.000 0.000 0.361 157 C C 0.905 175.990 174.990 0.158 0.000 1.189 157 C CA -0.634 58.397 59.018 0.021 0.000 2.155 157 C CB 0.690 28.464 27.740 0.058 0.000 2.336 157 C HN 0.693 nan 8.230 nan 0.000 0.540 158 L N 4.166 125.532 121.223 0.239 0.000 2.453 158 L HA 0.217 4.557 4.340 -0.000 0.000 0.272 158 L C -1.755 175.158 176.870 0.072 0.000 1.182 158 L CA -0.796 54.185 54.840 0.235 0.000 0.858 158 L CB 0.203 42.381 42.059 0.198 0.000 1.120 158 L HN 0.445 nan 8.230 nan 0.000 0.474 159 P HA 0.088 nan 4.420 nan 0.000 0.274 159 P C -1.254 175.842 177.300 -0.339 0.000 1.231 159 P CA -0.599 62.173 63.100 -0.547 0.000 0.790 159 P CB 0.676 31.739 31.700 -1.061 0.000 0.951 160 D N 2.415 122.618 120.400 -0.328 0.000 2.377 160 D HA 0.111 4.751 4.640 -0.000 0.000 0.245 160 D C -1.627 174.487 176.300 -0.311 0.000 1.196 160 D CA -1.924 51.955 54.000 -0.203 0.000 0.962 160 D CB -0.918 39.840 40.800 -0.070 0.000 1.127 160 D HN 0.132 nan 8.370 nan 0.000 0.471 161 P HA -0.225 nan 4.420 nan 0.000 0.215 161 P C 1.012 178.161 177.300 -0.252 0.000 1.157 161 P CA 1.706 64.668 63.100 -0.229 0.000 0.874 161 P CB 0.126 31.747 31.700 -0.130 0.000 0.790 162 K N -0.852 119.422 120.400 -0.209 0.000 1.991 162 K HA -0.117 4.203 4.320 -0.000 0.000 0.212 162 K C 2.427 178.842 176.600 -0.308 0.000 1.049 162 K CA 1.396 57.566 56.287 -0.196 0.000 0.932 162 K CB -0.557 31.866 32.500 -0.128 0.000 0.717 162 K HN 0.064 nan 8.250 nan 0.000 0.441 163 M N 0.707 120.037 119.600 -0.450 0.000 2.082 163 M HA -0.202 4.278 4.480 -0.000 0.000 0.258 163 M C 2.427 178.029 176.300 -1.164 0.000 1.069 163 M CA 1.384 56.216 55.300 -0.780 0.000 1.102 163 M CB -0.712 31.284 32.600 -1.006 0.000 1.336 163 M HN 0.181 nan 8.290 nan 0.000 0.404 164 L N 0.565 121.203 121.223 -0.975 0.000 2.046 164 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 164 L C 2.472 179.130 176.870 -0.353 0.000 1.077 164 L CA 2.158 56.541 54.840 -0.762 0.000 0.747 164 L CB -0.942 40.797 42.059 -0.533 0.000 0.896 164 L HN 0.227 nan 8.230 nan 0.000 0.432 165 A N -1.165 121.487 122.820 -0.279 0.000 1.877 165 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 165 A C 2.361 179.904 177.584 -0.069 0.000 1.186 165 A CA 2.066 54.025 52.037 -0.131 0.000 0.620 165 A CB -1.050 17.883 19.000 -0.113 0.000 0.822 165 A HN 0.555 nan 8.150 nan 0.000 0.443 166 S N -0.916 114.723 115.700 -0.103 0.000 2.359 166 S HA -0.203 4.267 4.470 -0.000 0.000 0.224 166 S C 1.657 176.348 174.600 0.151 0.000 1.035 166 S CA 1.423 59.629 58.200 0.009 0.000 1.018 166 S CB -0.515 62.688 63.200 0.005 0.000 0.876 166 S HN 0.764 nan 8.310 nan 0.000 0.448 167 W N 2.608 123.869 121.300 -0.065 0.000 2.333 167 W HA -0.025 4.635 4.660 -0.000 0.000 0.316 167 W C 2.181 178.692 176.519 -0.015 0.000 1.215 167 W CA 0.378 57.693 57.345 -0.050 0.000 1.278 167 W CB -1.706 27.707 29.460 -0.079 0.000 1.154 167 W HN 0.290 nan 8.180 nan 0.000 0.486 168 N N 0.218 119.054 118.700 0.227 0.000 2.069 168 N HA -0.201 4.539 4.740 -0.000 0.000 0.191 168 N C 1.638 177.208 175.510 0.101 0.000 1.031 168 N CA 1.817 54.952 53.050 0.141 0.000 0.852 168 N CB -0.941 37.605 38.487 0.099 0.000 1.018 168 N HN 0.380 nan 8.380 nan 0.000 0.423 169 E N 1.199 121.447 120.200 0.081 0.000 2.023 169 E HA -0.222 4.128 4.350 -0.000 0.000 0.196 169 E C 2.096 178.735 176.600 0.065 0.000 1.003 169 E CA 1.258 57.694 56.400 0.060 0.000 0.809 169 E CB 0.028 29.754 29.700 0.043 0.000 0.755 169 E HN 0.439 nan 8.360 nan 0.000 0.449 170 R N 0.222 120.770 120.500 0.079 0.000 2.115 170 R HA -0.113 4.227 4.340 -0.000 0.000 0.230 170 R C 1.870 178.209 176.300 0.064 0.000 1.111 170 R CA 1.674 57.815 56.100 0.068 0.000 0.976 170 R CB -0.333 30.011 30.300 0.073 0.000 0.870 170 R HN 0.200 nan 8.270 nan 0.000 0.445 171 E N 0.859 121.105 120.200 0.077 0.000 2.076 171 E HA -0.096 4.254 4.350 -0.000 0.000 0.190 171 E C 2.050 178.689 176.600 0.065 0.000 0.979 171 E CA 1.777 58.218 56.400 0.068 0.000 0.807 171 E CB 0.050 29.797 29.700 0.077 0.000 0.761 171 E HN 0.607 nan 8.360 nan 0.000 0.454 172 T N -1.379 113.216 114.554 0.068 0.000 2.821 172 T HA -0.086 4.264 4.350 -0.000 0.000 0.267 172 T C 2.130 176.860 174.700 0.049 0.000 1.046 172 T CA 1.012 63.146 62.100 0.058 0.000 1.139 172 T CB -0.787 68.115 68.868 0.057 0.000 0.871 172 T HN 0.196 nan 8.240 nan 0.000 0.454 173 G N 1.617 110.446 108.800 0.048 0.000 2.469 173 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.219 173 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.219 173 G C 1.461 176.386 174.900 0.040 0.000 1.150 173 G CA 1.113 46.238 45.100 0.041 0.000 0.763 173 G HN 0.509 nan 8.290 nan 0.000 0.561 174 L N 0.454 121.703 121.223 0.044 0.000 2.109 174 L HA 0.208 4.547 4.340 -0.000 0.000 0.207 174 L C 2.640 179.536 176.870 0.044 0.000 1.086 174 L CA 1.088 55.954 54.840 0.043 0.000 0.760 174 L CB -0.247 41.838 42.059 0.043 0.000 0.910 174 L HN 0.257 nan 8.230 nan 0.000 0.437 175 I N -0.067 120.531 120.570 0.047 0.000 2.264 175 I HA -0.306 3.864 4.170 -0.000 0.000 0.248 175 I C 2.603 178.744 176.117 0.040 0.000 1.111 175 I CA 1.178 62.505 61.300 0.046 0.000 1.382 175 I CB -0.719 37.310 38.000 0.049 0.000 1.060 175 I HN 0.357 nan 8.210 nan 0.000 0.418 176 A N 0.778 123.621 122.820 0.038 0.000 1.978 176 A HA -0.249 4.071 4.320 -0.000 0.000 0.220 176 A C 2.399 180.002 177.584 0.031 0.000 1.170 176 A CA 2.374 54.431 52.037 0.033 0.000 0.636 176 A CB -1.193 17.826 19.000 0.032 0.000 0.810 176 A HN 0.559 nan 8.150 nan 0.000 0.448 177 T N -3.961 110.613 114.554 0.033 0.000 3.072 177 T HA 0.035 4.385 4.350 -0.000 0.000 0.266 177 T C 0.371 175.090 174.700 0.032 0.000 1.127 177 T CA 1.239 63.358 62.100 0.031 0.000 1.107 177 T CB 0.009 68.896 68.868 0.033 0.000 0.910 177 T HN 0.288 nan 8.240 nan 0.000 0.513 178 D N 0.694 121.114 120.400 0.034 0.000 3.036 178 D HA 0.260 4.900 4.640 -0.000 0.000 0.244 178 D C -2.620 173.702 176.300 0.036 0.000 1.337 178 D CA -1.383 52.638 54.000 0.035 0.000 0.829 178 D CB 1.164 41.986 40.800 0.037 0.000 1.478 178 D HN 0.018 nan 8.370 nan 0.000 0.570 179 P HA 0.085 nan 4.420 nan 0.000 0.225 179 P C 0.410 177.730 177.300 0.033 0.000 1.156 179 P CA 0.667 63.787 63.100 0.034 0.000 0.787 179 P CB 0.506 32.224 31.700 0.030 0.000 0.802 180 D N -1.585 118.834 120.400 0.032 0.000 2.340 180 D HA 0.042 4.682 4.640 -0.000 0.000 0.217 180 D C 0.667 176.988 176.300 0.035 0.000 1.081 180 D CA -0.004 54.015 54.000 0.031 0.000 0.842 180 D CB -0.338 40.478 40.800 0.026 0.000 0.934 180 D HN 0.048 nan 8.370 nan 0.000 0.511 181 R N 1.180 121.704 120.500 0.040 0.000 2.522 181 R HA 0.191 4.531 4.340 -0.000 0.000 0.284 181 R C -0.398 175.934 176.300 0.052 0.000 1.032 181 R CA 0.232 56.360 56.100 0.046 0.000 1.049 181 R CB 0.235 30.565 30.300 0.050 0.000 0.956 181 R HN -0.015 nan 8.270 nan 0.000 0.422 182 I N 7.662 128.265 120.570 0.055 0.000 2.382 182 I HA 0.301 4.470 4.170 -0.000 0.000 0.285 182 I C -1.918 174.247 176.117 0.080 0.000 1.007 182 I CA -2.333 59.006 61.300 0.064 0.000 1.142 182 I CB 1.708 39.742 38.000 0.056 0.000 1.289 182 I HN 0.526 nan 8.210 nan 0.000 0.453 183 P HA 0.271 nan 4.420 nan 0.000 0.276 183 P C 0.285 177.643 177.300 0.098 0.000 1.252 183 P CA -0.318 62.849 63.100 0.112 0.000 0.802 183 P CB 0.598 32.397 31.700 0.165 0.000 1.035 184 G N 0.086 108.941 108.800 0.092 0.000 2.636 184 G HA2 0.150 4.110 3.960 -0.000 0.000 0.246 184 G HA3 0.150 4.110 3.960 -0.000 0.000 0.246 184 G C 0.752 175.706 174.900 0.090 0.000 1.216 184 G CA -0.526 44.623 45.100 0.081 0.000 0.854 184 G HN 0.470 nan 8.290 nan 0.000 0.572 185 L N 0.188 121.456 121.223 0.076 0.000 2.270 185 L HA 0.313 4.653 4.340 -0.000 0.000 0.210 185 L C 1.492 178.406 176.870 0.074 0.000 1.104 185 L CA 1.066 55.949 54.840 0.071 0.000 0.804 185 L CB -0.378 41.717 42.059 0.059 0.000 0.937 185 L HN 0.641 nan 8.230 nan 0.000 0.450 186 A N -0.958 121.909 122.820 0.078 0.000 2.568 186 A HA 0.609 4.929 4.320 -0.000 0.000 0.291 186 A C -1.360 176.276 177.584 0.087 0.000 1.159 186 A CA -0.686 51.400 52.037 0.082 0.000 0.679 186 A CB 1.198 20.239 19.000 0.068 0.000 1.285 186 A HN 0.041 nan 8.150 nan 0.000 0.428 187 N N 1.501 120.257 118.700 0.093 0.000 2.399 187 N HA 0.519 5.259 4.740 -0.000 0.000 0.280 187 N C -2.909 172.652 175.510 0.085 0.000 1.008 187 N CA -0.898 52.203 53.050 0.085 0.000 0.894 187 N CB 2.205 40.746 38.487 0.090 0.000 1.273 187 N HN 0.494 nan 8.380 nan 0.000 0.486 188 P HA 0.383 nan 4.420 nan 0.000 0.276 188 P C -2.693 174.658 177.300 0.084 0.000 1.261 188 P CA -1.280 61.867 63.100 0.078 0.000 0.800 188 P CB -0.300 31.437 31.700 0.063 0.000 1.066 189 P HA 0.079 nan 4.420 nan 0.000 0.265 189 P C -0.151 177.193 177.300 0.073 0.000 1.187 189 P CA 0.652 63.811 63.100 0.099 0.000 0.766 189 P CB 0.099 31.863 31.700 0.107 0.000 0.820 190 N N 1.366 120.107 118.700 0.069 0.000 2.599 190 N HA 0.299 5.039 4.740 -0.000 0.000 0.283 190 N C 0.069 175.609 175.510 0.050 0.000 1.160 190 N CA -0.438 52.641 53.050 0.049 0.000 0.869 190 N CB 1.158 39.666 38.487 0.035 0.000 1.448 190 N HN 0.197 nan 8.380 nan 0.000 0.535 191 A N 2.263 125.109 122.820 0.043 0.000 2.067 191 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 191 A C 1.700 179.301 177.584 0.028 0.000 1.156 191 A CA 1.509 53.571 52.037 0.040 0.000 0.683 191 A CB -0.399 18.619 19.000 0.030 0.000 0.808 191 A HN 0.660 nan 8.150 nan 0.000 0.455 192 T N 0.613 115.176 114.554 0.015 0.000 2.665 192 T HA -0.149 4.200 4.350 -0.000 0.000 0.268 192 T C 1.756 176.450 174.700 -0.010 0.000 1.035 192 T CA 2.197 64.293 62.100 -0.007 0.000 1.151 192 T CB -0.469 68.393 68.868 -0.010 0.000 0.862 192 T HN 0.742 nan 8.240 nan 0.000 0.438 193 T N -0.773 113.802 114.554 0.035 0.000 3.176 193 T HA 0.658 5.008 4.350 -0.000 0.000 0.263 193 T C 0.369 175.212 174.700 0.238 0.000 1.021 193 T CA -0.230 61.932 62.100 0.103 0.000 0.905 193 T CB 0.080 69.007 68.868 0.099 0.000 1.057 193 T HN 0.339 nan 8.240 nan 0.000 0.558 194 A N 2.153 125.078 122.820 0.175 0.000 2.409 194 A HA 0.439 4.759 4.320 -0.000 0.000 0.267 194 A C -0.214 177.588 177.584 0.363 0.000 1.127 194 A CA -0.336 51.829 52.037 0.213 0.000 0.795 194 A CB -0.124 18.953 19.000 0.129 0.000 1.061 194 A HN 0.574 nan 8.150 nan 0.000 0.502 195 H N 4.064 123.304 119.070 0.284 0.000 2.541 195 H HA 0.418 4.974 4.556 -0.000 0.000 0.316 195 H C -0.246 175.178 175.328 0.161 0.000 1.043 195 H CA -1.312 54.903 56.048 0.279 0.000 1.232 195 H CB 0.966 30.850 29.762 0.204 0.000 1.406 195 H HN 0.528 nan 8.280 nan 0.000 0.469 196 M N 4.415 124.297 119.600 0.469 0.000 2.655 196 M HA 0.201 4.681 4.480 -0.000 0.000 0.311 196 M C 1.266 177.677 176.300 0.184 0.000 1.229 196 M CA 0.397 55.828 55.300 0.219 0.000 0.972 196 M CB -0.548 32.106 32.600 0.090 0.000 1.366 196 M HN 0.901 nan 8.290 nan 0.000 0.500 197 G N 1.956 110.938 108.800 0.303 0.000 2.536 197 G HA2 -0.313 3.646 3.960 -0.000 0.000 0.280 197 G HA3 -0.313 3.646 3.960 -0.000 0.000 0.280 197 G C 0.270 175.293 174.900 0.206 0.000 1.152 197 G CA -0.003 45.205 45.100 0.181 0.000 0.970 197 G HN 0.522 nan 8.290 nan 0.000 0.549 198 Q N 0.619 120.480 119.800 0.101 0.000 2.253 198 Q HA 0.386 4.726 4.340 -0.000 0.000 0.210 198 Q C 0.908 176.941 176.000 0.056 0.000 0.907 198 Q CA -0.154 55.697 55.803 0.079 0.000 0.948 198 Q CB 0.110 28.884 28.738 0.060 0.000 1.033 198 Q HN 0.507 nan 8.270 nan 0.000 0.471 199 M N 1.703 121.336 119.600 0.055 0.000 2.188 199 M HA 0.096 4.576 4.480 -0.000 0.000 0.354 199 M C -0.245 176.069 176.300 0.024 0.000 1.342 199 M CA 0.551 55.866 55.300 0.025 0.000 1.117 199 M CB 0.657 33.256 32.600 -0.002 0.000 1.670 199 M HN 0.002 nan 8.290 nan 0.000 0.466 200 Q N 2.200 122.008 119.800 0.013 0.000 2.356 200 Q HA 0.654 4.994 4.340 -0.000 0.000 0.270 200 Q C 0.349 176.351 176.000 0.003 0.000 1.058 200 Q CA -0.128 55.681 55.803 0.010 0.000 0.802 200 Q CB 2.149 30.895 28.738 0.014 0.000 1.303 200 Q HN 0.987 nan 8.270 nan 0.000 0.444 201 G N 2.866 111.666 108.800 0.000 0.000 2.509 201 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.259 201 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.259 201 G C 0.768 175.666 174.900 -0.004 0.000 1.169 201 G CA 0.664 45.763 45.100 -0.002 0.000 0.953 201 G HN 0.754 nan 8.290 nan 0.000 0.563 202 E N 0.698 120.897 120.200 -0.002 0.000 2.150 202 E HA 0.254 4.604 4.350 -0.000 0.000 0.193 202 E C 2.652 179.247 176.600 -0.007 0.000 0.985 202 E CA 2.211 58.609 56.400 -0.003 0.000 0.814 202 E CB -0.417 29.284 29.700 0.002 0.000 0.752 202 E HN 1.348 nan 8.360 nan 0.000 0.466 203 A N 1.647 124.461 122.820 -0.010 0.000 1.972 203 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 203 A C 2.326 179.880 177.584 -0.050 0.000 1.169 203 A CA 1.466 53.489 52.037 -0.023 0.000 0.635 203 A CB -0.588 18.403 19.000 -0.015 0.000 0.810 203 A HN 0.194 nan 8.150 nan 0.000 0.446 204 R N -0.438 120.042 120.500 -0.033 0.000 2.275 204 R HA -0.064 4.276 4.340 -0.000 0.000 0.199 204 R C 0.352 176.635 176.300 -0.027 0.000 0.989 204 R CA 1.189 57.268 56.100 -0.034 0.000 1.016 204 R CB -0.221 30.075 30.300 -0.008 0.000 0.918 204 R HN 0.499 nan 8.270 nan 0.000 0.473 205 D N 0.028 120.416 120.400 -0.021 0.000 2.290 205 D HA -0.061 4.579 4.640 -0.000 0.000 0.224 205 D C 1.583 177.880 176.300 -0.005 0.000 0.967 205 D CA 0.725 54.720 54.000 -0.009 0.000 0.893 205 D CB -0.051 40.746 40.800 -0.004 0.000 1.037 205 D HN 0.080 nan 8.370 nan 0.000 0.477 206 K N 0.762 121.158 120.400 -0.007 0.000 2.097 206 K HA -0.043 4.276 4.320 -0.000 0.000 0.206 206 K C 1.938 178.545 176.600 0.011 0.000 1.049 206 K CA 1.121 57.415 56.287 0.011 0.000 0.933 206 K CB 0.060 32.571 32.500 0.018 0.000 0.717 206 K HN 0.022 nan 8.250 nan 0.000 0.442 207 A N 0.637 123.407 122.820 -0.083 0.000 1.897 207 A HA -0.002 4.318 4.320 -0.000 0.000 0.215 207 A C 2.234 179.771 177.584 -0.078 0.000 1.181 207 A CA 1.483 53.361 52.037 -0.265 0.000 0.620 207 A CB -0.584 17.992 19.000 -0.707 0.000 0.821 207 A HN 0.379 nan 8.150 nan 0.000 0.443 208 A N -0.304 122.495 122.820 -0.035 0.000 2.019 208 A HA 0.231 4.551 4.320 -0.000 0.000 0.219 208 A C 2.294 179.915 177.584 0.061 0.000 1.164 208 A CA 1.783 53.839 52.037 0.031 0.000 0.644 208 A CB -0.633 18.386 19.000 0.031 0.000 0.805 208 A HN 0.959 nan 8.150 nan 0.000 0.449 209 A N 0.249 123.102 122.820 0.055 0.000 2.072 209 A HA 0.044 4.364 4.320 -0.000 0.000 0.216 209 A C 1.678 179.315 177.584 0.088 0.000 1.156 209 A CA 1.222 53.296 52.037 0.062 0.000 0.701 209 A CB -0.251 18.776 19.000 0.046 0.000 0.816 209 A HN 0.733 nan 8.150 nan 0.000 0.458 210 E N -0.723 119.552 120.200 0.125 0.000 2.538 210 E HA 0.285 4.635 4.350 -0.000 0.000 0.207 210 E C 0.732 177.459 176.600 0.213 0.000 1.002 210 E CA 0.023 56.513 56.400 0.151 0.000 0.952 210 E CB 0.011 29.796 29.700 0.141 0.000 1.031 210 E HN 0.268 nan 8.360 nan 0.000 0.476 211 G N 1.405 110.353 108.800 0.246 0.000 2.364 211 G HA2 0.417 4.377 3.960 -0.000 0.000 0.267 211 G HA3 0.417 4.377 3.960 -0.000 0.000 0.267 211 G C 0.041 175.085 174.900 0.241 0.000 1.233 211 G CA -0.115 45.159 45.100 0.289 0.000 0.885 211 G HN 0.333 nan 8.290 nan 0.000 0.490 212 A N 3.997 127.000 122.820 0.305 0.000 2.462 212 A HA 0.473 4.793 4.320 -0.000 0.000 0.243 212 A C 0.909 178.679 177.584 0.310 0.000 1.076 212 A CA -0.477 51.763 52.037 0.339 0.000 0.773 212 A CB 0.363 19.671 19.000 0.513 0.000 1.010 212 A HN 0.667 nan 8.150 nan 0.000 0.493 213 R N 1.329 121.970 120.500 0.235 0.000 2.679 213 R HA 0.091 4.431 4.340 -0.000 0.000 0.268 213 R C 1.345 177.823 176.300 0.296 0.000 1.044 213 R CA 0.807 57.025 56.100 0.196 0.000 1.105 213 R CB -0.211 30.177 30.300 0.147 0.000 0.989 213 R HN 0.886 nan 8.270 nan 0.000 0.447 214 T N -2.688 112.027 114.554 0.268 0.000 3.107 214 T HA 0.031 4.380 4.350 -0.000 0.000 0.249 214 T C 1.749 176.700 174.700 0.418 0.000 1.096 214 T CA -0.008 62.329 62.100 0.394 0.000 1.012 214 T CB 0.052 69.038 68.868 0.198 0.000 0.977 214 T HN 0.206 nan 8.240 nan 0.000 0.527 215 V N 2.302 122.443 119.914 0.378 0.000 2.287 215 V HA 0.029 4.148 4.120 -0.000 0.000 0.248 215 V C -1.288 174.983 176.094 0.296 0.000 1.053 215 V CA 1.277 63.828 62.300 0.420 0.000 1.027 215 V CB -1.232 30.787 31.823 0.328 0.000 0.646 215 V HN 0.547 nan 8.190 nan 0.000 0.447 216 P HA 0.370 nan 4.420 nan 0.000 0.292 216 P C -2.885 174.407 177.300 -0.013 0.000 1.300 216 P CA -2.468 60.670 63.100 0.064 0.000 0.900 216 P CB 1.328 33.027 31.700 -0.001 0.000 1.139 217 P HA 0.246 nan 4.420 nan 0.000 0.271 217 P C -0.212 176.993 177.300 -0.159 0.000 1.218 217 P CA 0.214 63.264 63.100 -0.083 0.000 0.780 217 P CB 1.157 32.817 31.700 -0.066 0.000 0.901 218 R N 0.748 121.148 120.500 -0.167 0.000 2.962 218 R HA 0.222 4.562 4.340 -0.000 0.000 0.256 218 R C 1.254 177.551 176.300 -0.005 0.000 1.199 218 R CA -0.711 55.226 56.100 -0.270 0.000 1.012 218 R CB 0.131 29.865 30.300 -0.942 0.000 1.289 218 R HN 0.181 nan 8.270 nan 0.000 0.462 219 E N 0.781 121.013 120.200 0.054 0.000 2.171 219 E HA -0.230 4.120 4.350 -0.000 0.000 0.197 219 E C 1.527 178.329 176.600 0.336 0.000 0.997 219 E CA 2.061 58.580 56.400 0.198 0.000 0.810 219 E CB -0.345 29.502 29.700 0.245 0.000 0.738 219 E HN 0.598 nan 8.360 nan 0.000 0.467 220 H N -2.698 116.464 119.070 0.154 0.000 2.529 220 H HA 0.297 4.853 4.556 -0.000 0.000 0.277 220 H C 1.274 176.704 175.328 0.170 0.000 0.999 220 H CA 0.137 56.341 56.048 0.259 0.000 1.256 220 H CB 0.368 30.211 29.762 0.135 0.000 1.402 220 H HN 0.172 nan 8.280 nan 0.000 0.566 221 G N -0.204 108.523 108.800 -0.122 0.000 2.713 221 G HA2 0.128 4.088 3.960 -0.000 0.000 0.215 221 G HA3 0.128 4.088 3.960 -0.000 0.000 0.215 221 G C 0.671 175.274 174.900 -0.495 0.000 1.265 221 G CA 0.205 45.190 45.100 -0.192 0.000 1.204 221 G HN 1.341 nan 8.290 nan 0.000 0.545 222 G N 0.444 108.882 108.800 -0.603 0.000 2.520 222 G HA2 0.003 3.963 3.960 -0.000 0.000 0.248 222 G HA3 0.003 3.963 3.960 -0.000 0.000 0.248 222 G C 0.144 174.973 174.900 -0.118 0.000 1.161 222 G CA 0.920 45.797 45.100 -0.372 0.000 0.946 222 G HN 2.106 nan 8.290 nan 0.000 0.565 223 N N 1.150 119.825 118.700 -0.041 0.000 3.124 223 N HA 0.379 5.119 4.740 -0.000 0.000 0.284 223 N C 1.229 176.705 175.510 -0.056 0.000 1.209 223 N CA 0.584 53.590 53.050 -0.073 0.000 1.149 223 N CB -0.705 37.752 38.487 -0.049 0.000 1.434 223 N HN 0.623 nan 8.380 nan 0.000 0.529 224 C N -0.091 119.161 119.300 -0.080 0.000 2.485 224 C HA 0.088 4.548 4.460 -0.000 0.000 0.277 224 C C 0.450 175.402 174.990 -0.064 0.000 1.376 224 C CA -0.276 58.698 59.018 -0.072 0.000 1.759 224 C CB -0.668 27.021 27.740 -0.085 0.000 1.970 224 C HN 0.632 nan 8.230 nan 0.000 0.509 225 D N 0.642 121.009 120.400 -0.056 0.000 2.737 225 D HA -0.171 4.469 4.640 -0.000 0.000 0.233 225 D C -0.243 176.026 176.300 -0.052 0.000 1.155 225 D CA 0.737 54.743 54.000 0.010 0.000 0.667 225 D CB -1.196 39.646 40.800 0.069 0.000 1.060 225 D HN 0.512 nan 8.370 nan 0.000 0.427 226 I N 1.093 121.587 120.570 -0.127 0.000 2.329 226 I HA -0.029 4.141 4.170 -0.000 0.000 0.295 226 I C 2.040 177.927 176.117 -0.383 0.000 1.109 226 I CA -0.194 60.984 61.300 -0.204 0.000 1.297 226 I CB 0.650 38.541 38.000 -0.182 0.000 1.433 226 I HN 0.010 nan 8.210 nan 0.000 0.509 227 K N 4.130 124.221 120.400 -0.515 0.000 2.218 227 K HA -0.193 4.127 4.320 -0.000 0.000 0.205 227 K C 0.499 176.707 176.600 -0.653 0.000 1.046 227 K CA 1.538 57.219 56.287 -1.010 0.000 0.933 227 K CB 0.043 32.187 32.500 -0.593 0.000 0.728 227 K HN 0.527 nan 8.250 nan 0.000 0.454 228 D N 0.866 121.062 120.400 -0.339 0.000 2.349 228 D HA -0.003 4.637 4.640 -0.000 0.000 0.215 228 D C 0.575 176.804 176.300 -0.118 0.000 1.016 228 D CA 0.261 54.173 54.000 -0.145 0.000 0.870 228 D CB 0.217 41.013 40.800 -0.006 0.000 0.917 228 D HN 0.225 nan 8.370 nan 0.000 0.524 229 L N 2.380 123.356 121.223 -0.413 0.000 2.437 229 L HA 0.045 4.385 4.340 -0.000 0.000 0.243 229 L C 0.455 177.131 176.870 -0.324 0.000 1.346 229 L CA -0.145 54.302 54.840 -0.655 0.000 1.233 229 L CB -0.423 41.134 42.059 -0.837 0.000 1.436 229 L HN -0.077 nan 8.230 nan 0.000 0.416 230 S N 1.630 117.203 115.700 -0.212 0.000 2.739 230 S HA 0.532 5.002 4.470 -0.000 0.000 0.306 230 S C -0.020 174.482 174.600 -0.163 0.000 1.115 230 S CA -1.075 57.034 58.200 -0.152 0.000 0.985 230 S CB 1.207 64.321 63.200 -0.144 0.000 1.133 230 S HN 0.597 nan 8.310 nan 0.000 0.541 231 R N 0.054 120.444 120.500 -0.183 0.000 2.486 231 R HA 0.428 4.768 4.340 -0.000 0.000 0.303 231 R C 1.071 177.278 176.300 -0.154 0.000 0.958 231 R CA 0.485 56.473 56.100 -0.186 0.000 1.077 231 R CB -1.016 29.148 30.300 -0.226 0.000 0.921 231 R HN 1.512 nan 8.270 nan 0.000 0.406 232 G N 1.819 110.534 108.800 -0.140 0.000 2.231 232 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.206 232 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.206 232 G C -0.022 174.817 174.900 -0.103 0.000 0.996 232 G CA 0.001 45.030 45.100 -0.119 0.000 0.645 232 G HN 0.646 nan 8.290 nan 0.000 0.498 233 S N 0.104 115.741 115.700 -0.106 0.000 2.614 233 S HA 0.621 5.091 4.470 -0.000 0.000 0.265 233 S C 0.380 174.914 174.600 -0.110 0.000 1.303 233 S CA -0.012 58.145 58.200 -0.071 0.000 1.000 233 S CB 1.537 64.690 63.200 -0.078 0.000 0.935 233 S HN 0.643 nan 8.310 nan 0.000 0.551 234 R N 0.932 121.378 120.500 -0.090 0.000 2.476 234 R HA 0.643 4.983 4.340 -0.000 0.000 0.305 234 R C -1.621 174.520 176.300 -0.265 0.000 0.965 234 R CA -0.436 55.528 56.100 -0.227 0.000 0.867 234 R CB 1.244 31.399 30.300 -0.241 0.000 1.176 234 R HN 0.457 nan 8.270 nan 0.000 0.447 235 V N 5.649 125.297 119.914 -0.444 0.000 2.715 235 V HA 0.628 4.748 4.120 -0.000 0.000 0.310 235 V C -1.596 174.060 176.094 -0.729 0.000 1.054 235 V CA -0.657 61.361 62.300 -0.470 0.000 0.928 235 V CB 1.667 33.127 31.823 -0.604 0.000 1.007 235 V HN 0.711 nan 8.190 nan 0.000 0.437 236 F N 6.409 126.113 119.950 -0.410 0.000 2.403 236 F HA 0.596 5.123 4.527 -0.000 0.000 0.355 236 F C -0.346 175.263 175.800 -0.318 0.000 1.119 236 F CA -0.557 57.275 58.000 -0.280 0.000 1.007 236 F CB 1.194 40.081 39.000 -0.187 0.000 1.194 236 F HN 0.309 nan 8.300 nan 0.000 0.443 237 F N 4.440 124.445 119.950 0.093 0.000 2.421 237 F HA 0.501 5.028 4.527 -0.000 0.000 0.337 237 F C -1.993 173.813 175.800 0.010 0.000 1.105 237 F CA -2.537 55.489 58.000 0.045 0.000 1.049 237 F CB 1.389 40.395 39.000 0.011 0.000 1.139 237 F HN 0.227 nan 8.300 nan 0.000 0.479 238 P HA 0.075 nan 4.420 nan 0.000 0.271 238 P C -0.845 176.281 177.300 -0.290 0.000 1.216 238 P CA -0.004 63.032 63.100 -0.108 0.000 0.776 238 P CB 1.308 32.907 31.700 -0.169 0.000 0.881 239 V N 4.254 123.948 119.914 -0.367 0.000 2.459 239 V HA 0.202 4.322 4.120 -0.000 0.000 0.295 239 V C 0.446 176.280 176.094 -0.432 0.000 1.029 239 V CA 0.006 62.144 62.300 -0.269 0.000 0.874 239 V CB 0.906 32.689 31.823 -0.066 0.000 0.985 239 V HN 0.517 nan 8.190 nan 0.000 0.438 240 Y N 3.449 123.771 120.300 0.036 0.000 2.581 240 Y HA 0.349 4.899 4.550 -0.000 0.000 0.271 240 Y C 0.756 176.656 175.900 -0.001 0.000 1.100 240 Y CA 0.083 58.186 58.100 0.005 0.000 1.281 240 Y CB 0.932 39.371 38.460 -0.035 0.000 1.237 240 Y HN 0.503 nan 8.280 nan 0.000 0.514 241 V N -2.853 117.150 119.914 0.148 0.000 3.046 241 V HA 0.453 4.572 4.120 -0.000 0.000 0.316 241 V C -0.578 175.569 176.094 0.090 0.000 1.104 241 V CA -1.338 61.023 62.300 0.100 0.000 1.006 241 V CB 1.824 33.700 31.823 0.088 0.000 1.058 241 V HN -0.096 nan 8.190 nan 0.000 0.440 242 D N 1.476 121.936 120.400 0.101 0.000 2.455 242 D HA 0.370 5.010 4.640 -0.000 0.000 0.241 242 D C 1.297 177.697 176.300 0.168 0.000 1.138 242 D CA 1.886 55.967 54.000 0.134 0.000 0.877 242 D CB 1.207 42.095 40.800 0.148 0.000 1.187 242 D HN 1.516 nan 8.370 nan 0.000 0.451 243 G N 2.140 111.053 108.800 0.189 0.000 2.212 243 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.266 243 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.266 243 G C 0.986 175.860 174.900 -0.042 0.000 0.978 243 G CA 0.763 45.931 45.100 0.113 0.000 0.632 243 G HN 1.305 nan 8.290 nan 0.000 0.537 244 A N -1.117 121.713 122.820 0.017 0.000 1.345 244 A HA 0.355 4.675 4.320 -0.000 0.000 0.221 244 A C 2.195 179.785 177.584 0.011 0.000 0.422 244 A CA 2.342 54.392 52.037 0.020 0.000 1.098 244 A CB -1.719 17.294 19.000 0.020 0.000 1.468 244 A HN 2.867 nan 8.150 nan 0.000 0.722 245 G N -1.557 107.204 108.800 -0.064 0.000 2.531 245 G HA2 0.200 4.159 3.960 -0.000 0.000 0.283 245 G HA3 0.200 4.159 3.960 -0.000 0.000 0.283 245 G C -0.342 174.586 174.900 0.047 0.000 1.068 245 G CA 0.661 45.732 45.100 -0.047 0.000 1.273 245 G HN 2.162 nan 8.290 nan 0.000 0.532 246 L N 1.443 122.670 121.223 0.006 0.000 2.290 246 L HA 0.825 5.165 4.340 -0.000 0.000 0.284 246 L C 0.289 177.209 176.870 0.082 0.000 1.078 246 L CA -0.031 54.815 54.840 0.010 0.000 0.815 246 L CB 1.606 43.651 42.059 -0.023 0.000 1.162 246 L HN 0.323 nan 8.230 nan 0.000 0.435 247 S N 3.272 119.063 115.700 0.151 0.000 2.599 247 S HA 0.860 5.330 4.470 -0.000 0.000 0.294 247 S C -1.343 173.300 174.600 0.071 0.000 1.094 247 S CA -0.603 57.688 58.200 0.151 0.000 0.931 247 S CB 2.177 65.520 63.200 0.238 0.000 1.093 247 S HN 0.636 nan 8.310 nan 0.000 0.488 248 V N 0.587 120.507 119.914 0.009 0.000 2.969 248 V HA 0.922 5.042 4.120 -0.000 0.000 0.304 248 V C -0.290 175.774 176.094 -0.049 0.000 1.192 248 V CA 0.443 62.728 62.300 -0.025 0.000 0.962 248 V CB 1.636 33.449 31.823 -0.016 0.000 1.045 248 V HN 1.192 nan 8.190 nan 0.000 0.428 249 G N 3.170 111.923 108.800 -0.079 0.000 2.427 249 G HA2 0.490 4.450 3.960 -0.000 0.000 0.306 249 G HA3 0.490 4.450 3.960 -0.000 0.000 0.306 249 G C -0.502 174.331 174.900 -0.111 0.000 1.280 249 G CA 0.564 45.632 45.100 -0.053 0.000 0.837 249 G HN 1.506 nan 8.290 nan 0.000 0.482 250 D N -0.838 119.546 120.400 -0.027 0.000 2.716 250 D HA -0.150 4.490 4.640 -0.000 0.000 0.239 250 D C 0.331 176.402 176.300 -0.383 0.000 1.125 250 D CA 0.579 54.512 54.000 -0.111 0.000 0.681 250 D CB -1.421 39.257 40.800 -0.204 0.000 1.070 250 D HN 0.516 nan 8.370 nan 0.000 0.432 251 L N 1.154 122.223 121.223 -0.257 0.000 2.453 251 L HA 0.239 4.578 4.340 -0.000 0.000 0.272 251 L C 0.992 177.674 176.870 -0.313 0.000 1.182 251 L CA 0.269 54.894 54.840 -0.360 0.000 0.858 251 L CB 0.539 42.441 42.059 -0.262 0.000 1.120 251 L HN 0.245 nan 8.230 nan 0.000 0.474 252 H N 2.088 120.823 119.070 -0.559 0.000 2.469 252 H HA 0.115 4.671 4.556 -0.000 0.000 0.342 252 H C -0.009 175.024 175.328 -0.491 0.000 1.115 252 H CA -0.715 54.983 56.048 -0.584 0.000 1.204 252 H CB 2.146 31.359 29.762 -0.916 0.000 1.492 252 H HN 0.556 nan 8.280 nan 0.000 0.499 253 F N 1.202 120.955 119.950 -0.329 0.000 2.512 253 F HA 0.124 4.651 4.527 -0.000 0.000 0.296 253 F C 0.486 176.158 175.800 -0.213 0.000 1.110 253 F CA 0.565 58.322 58.000 -0.405 0.000 1.446 253 F CB 0.682 39.306 39.000 -0.627 0.000 1.092 253 F HN 0.365 nan 8.300 nan 0.000 0.554 254 S N -0.574 115.144 115.700 0.031 0.000 2.611 254 S HA 0.388 4.858 4.470 -0.000 0.000 0.270 254 S C -1.747 172.878 174.600 0.042 0.000 1.131 254 S CA -0.647 57.618 58.200 0.108 0.000 0.826 254 S CB 1.330 64.691 63.200 0.268 0.000 1.095 254 S HN 0.251 nan 8.310 nan 0.000 0.461 255 Q N 0.702 120.534 119.800 0.054 0.000 2.594 255 Q HA 0.518 4.858 4.340 -0.000 0.000 0.278 255 Q C -0.961 174.979 176.000 -0.101 0.000 0.961 255 Q CA -0.640 55.130 55.803 -0.054 0.000 0.844 255 Q CB 1.349 30.121 28.738 0.058 0.000 1.475 255 Q HN 0.940 nan 8.270 nan 0.000 0.389 256 G N 1.466 110.196 108.800 -0.116 0.000 2.437 256 G HA2 0.343 4.303 3.960 -0.000 0.000 0.319 256 G HA3 0.343 4.303 3.960 -0.000 0.000 0.319 256 G C -0.650 174.199 174.900 -0.086 0.000 1.158 256 G CA -0.307 44.736 45.100 -0.095 0.000 0.899 256 G HN 0.580 nan 8.290 nan 0.000 0.502 257 D N -0.343 120.008 120.400 -0.083 0.000 2.455 257 D HA 0.378 5.018 4.640 -0.000 0.000 0.241 257 D C 1.434 177.702 176.300 -0.054 0.000 1.138 257 D CA 1.722 55.649 54.000 -0.122 0.000 0.877 257 D CB 1.190 41.880 40.800 -0.184 0.000 1.187 257 D HN 0.818 nan 8.370 nan 0.000 0.451 258 G N 2.674 111.393 108.800 -0.136 0.000 2.268 258 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.240 258 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.240 258 G C 0.479 175.303 174.900 -0.126 0.000 1.010 258 G CA 0.383 45.395 45.100 -0.147 0.000 0.618 258 G HN 0.729 nan 8.290 nan 0.000 0.516 259 E N 0.222 120.375 120.200 -0.079 0.000 2.199 259 E HA -0.292 4.057 4.350 -0.000 0.000 0.208 259 E C 1.651 178.237 176.600 -0.023 0.000 1.310 259 E CA 0.683 57.046 56.400 -0.062 0.000 0.709 259 E CB -1.374 28.301 29.700 -0.041 0.000 1.127 259 E HN 1.320 nan 8.360 nan 0.000 0.354 260 I N -2.483 118.085 120.570 -0.003 0.000 2.361 260 I HA -0.223 3.947 4.170 -0.000 0.000 0.251 260 I C 2.092 178.346 176.117 0.229 0.000 1.133 260 I CA 1.677 63.041 61.300 0.107 0.000 1.413 260 I CB -0.740 37.390 38.000 0.216 0.000 1.073 260 I HN 0.252 nan 8.210 nan 0.000 0.424 261 T N -2.335 112.233 114.554 0.024 0.000 3.007 261 T HA -0.113 4.237 4.350 -0.000 0.000 0.270 261 T C 1.306 176.085 174.700 0.132 0.000 1.107 261 T CA 0.856 62.874 62.100 -0.136 0.000 1.118 261 T CB -0.386 68.328 68.868 -0.257 0.000 0.889 261 T HN 0.528 nan 8.240 nan 0.000 0.506 262 F N -0.179 119.760 119.950 -0.018 0.000 2.559 262 F HA -0.310 4.216 4.527 -0.000 0.000 0.681 262 F C 0.988 176.745 175.800 -0.072 0.000 0.488 262 F CA 0.886 58.919 58.000 0.054 0.000 0.759 262 F CB -1.598 37.563 39.000 0.268 0.000 1.634 262 F HN 0.402 nan 8.300 nan 0.000 0.264 263 C N 3.751 122.898 119.300 -0.255 0.000 2.756 263 C HA 0.540 4.999 4.460 -0.000 0.000 0.504 263 C C 1.026 175.891 174.990 -0.207 0.000 1.028 263 C CA 1.145 59.954 59.018 -0.348 0.000 1.167 263 C CB -2.217 25.061 27.740 -0.770 0.000 1.444 263 C HN 1.563 nan 8.230 nan 0.000 0.577 264 G N 3.299 111.872 108.800 -0.378 0.000 2.760 264 G HA2 0.402 4.362 3.960 -0.000 0.000 0.246 264 G HA3 0.402 4.362 3.960 -0.000 0.000 0.246 264 G C 0.097 174.790 174.900 -0.344 0.000 1.359 264 G CA -0.216 44.581 45.100 -0.506 0.000 0.861 264 G HN 2.807 nan 8.290 nan 0.000 0.541 265 A N -2.121 120.471 122.820 -0.380 0.000 3.112 265 A HA 0.094 4.413 4.320 -0.000 0.000 0.660 265 A C 0.264 177.549 177.584 -0.498 0.000 0.470 265 A CA 0.842 52.532 52.037 -0.579 0.000 0.194 265 A CB -1.225 16.983 19.000 -1.320 0.000 3.812 265 A HN 2.150 nan 8.150 nan 0.000 0.537 266 I N 1.511 121.798 120.570 -0.471 0.000 2.269 266 I HA 0.206 4.376 4.170 -0.000 0.000 0.293 266 I C 0.495 176.421 176.117 -0.320 0.000 1.106 266 I CA -0.217 60.868 61.300 -0.358 0.000 1.248 266 I CB 0.583 38.417 38.000 -0.276 0.000 1.444 266 I HN 0.484 nan 8.210 nan 0.000 0.497 267 E N 8.293 128.179 120.200 -0.524 0.000 2.360 267 E HA 0.433 4.783 4.350 -0.000 0.000 0.269 267 E C -0.278 176.124 176.600 -0.330 0.000 1.022 267 E CA 0.022 56.082 56.400 -0.566 0.000 0.887 267 E CB 1.623 30.651 29.700 -1.121 0.000 0.990 267 E HN 0.616 nan 8.360 nan 0.000 0.426 268 M N -0.866 118.671 119.600 -0.104 0.000 2.644 268 M HA 0.707 5.187 4.480 -0.000 0.000 0.273 268 M C -1.271 175.039 176.300 0.018 0.000 1.253 268 M CA -1.061 54.225 55.300 -0.022 0.000 0.852 268 M CB 1.831 34.485 32.600 0.089 0.000 1.708 268 M HN 0.279 nan 8.290 nan 0.000 0.471 269 A N 0.452 123.273 122.820 0.002 0.000 2.286 269 A HA 1.001 5.321 4.320 -0.000 0.000 0.286 269 A C 0.299 177.875 177.584 -0.014 0.000 1.097 269 A CA 0.317 52.367 52.037 0.021 0.000 0.821 269 A CB 0.488 19.500 19.000 0.020 0.000 1.076 269 A HN 1.475 nan 8.150 nan 0.000 0.490 270 G N -0.739 108.052 108.800 -0.016 0.000 2.435 270 G HA2 0.504 4.463 3.960 -0.000 0.000 0.228 270 G HA3 0.504 4.463 3.960 -0.000 0.000 0.228 270 G C -1.240 173.694 174.900 0.056 0.000 1.198 270 G CA 0.017 45.091 45.100 -0.042 0.000 0.948 270 G HN 1.547 nan 8.290 nan 0.000 0.487 271 W N -0.807 120.465 121.300 -0.047 0.000 3.118 271 W HA 0.753 5.413 4.660 -0.000 0.000 0.328 271 W C -1.828 174.663 176.519 -0.047 0.000 1.239 271 W CA -1.265 56.056 57.345 -0.041 0.000 1.176 271 W CB 1.203 30.642 29.460 -0.035 0.000 1.433 271 W HN 0.572 nan 8.180 nan 0.000 0.562 272 V N 1.645 121.714 119.914 0.258 0.000 2.577 272 V HA 0.264 4.384 4.120 -0.000 0.000 0.303 272 V C -0.709 175.559 176.094 0.290 0.000 1.042 272 V CA -0.669 61.708 62.300 0.129 0.000 0.872 272 V CB 1.726 33.550 31.823 0.002 0.000 0.998 272 V HN 0.702 nan 8.190 nan 0.000 0.423 273 H N 6.499 125.682 119.070 0.189 0.000 2.488 273 H HA 0.799 5.355 4.556 -0.000 0.000 0.322 273 H C -0.391 174.868 175.328 -0.116 0.000 1.078 273 H CA -0.729 55.357 56.048 0.063 0.000 1.260 273 H CB 1.170 31.034 29.762 0.171 0.000 1.425 273 H HN 0.761 nan 8.280 nan 0.000 0.471 274 M N 3.282 122.856 119.600 -0.042 0.000 2.569 274 M HA 0.445 4.925 4.480 -0.000 0.000 0.279 274 M C -2.044 174.022 176.300 -0.389 0.000 1.253 274 M CA -1.146 53.986 55.300 -0.279 0.000 0.867 274 M CB 2.911 35.315 32.600 -0.327 0.000 1.727 274 M HN 0.402 nan 8.290 nan 0.000 0.467 275 K N 1.731 121.976 120.400 -0.257 0.000 2.371 275 K HA 0.806 5.126 4.320 -0.000 0.000 0.251 275 K C -1.562 174.981 176.600 -0.095 0.000 0.934 275 K CA -0.797 55.396 56.287 -0.157 0.000 0.798 275 K CB 2.583 35.024 32.500 -0.099 0.000 1.204 275 K HN 0.801 nan 8.250 nan 0.000 0.427 276 V N -0.282 119.640 119.914 0.014 0.000 2.914 276 V HA 0.872 4.992 4.120 -0.000 0.000 0.314 276 V C -0.743 175.389 176.094 0.063 0.000 1.084 276 V CA -0.323 62.012 62.300 0.059 0.000 0.963 276 V CB 1.420 33.337 31.823 0.156 0.000 1.025 276 V HN 1.005 nan 8.190 nan 0.000 0.432 277 S N 2.968 118.698 115.700 0.050 0.000 2.703 277 S HA 0.819 5.289 4.470 -0.000 0.000 0.273 277 S C -1.457 173.182 174.600 0.066 0.000 1.178 277 S CA -0.991 57.242 58.200 0.055 0.000 0.838 277 S CB 1.403 64.624 63.200 0.035 0.000 1.178 277 S HN 1.024 nan 8.310 nan 0.000 0.494 278 L N 0.435 121.704 121.223 0.075 0.000 2.371 278 L HA 0.659 4.999 4.340 -0.000 0.000 0.262 278 L C -1.253 175.679 176.870 0.103 0.000 1.006 278 L CA -0.884 54.010 54.840 0.090 0.000 0.818 278 L CB 1.993 44.102 42.059 0.084 0.000 1.354 278 L HN 0.662 nan 8.230 nan 0.000 0.415 279 I N 2.625 123.269 120.570 0.123 0.000 2.411 279 I HA 0.258 4.428 4.170 -0.000 0.000 0.284 279 I C -0.445 175.735 176.117 0.105 0.000 1.012 279 I CA -0.963 60.417 61.300 0.133 0.000 1.119 279 I CB 1.481 39.596 38.000 0.191 0.000 1.261 279 I HN 0.383 nan 8.210 nan 0.000 0.448 280 K N 4.628 125.076 120.400 0.080 0.000 2.412 280 K HA 0.170 4.490 4.320 -0.000 0.000 0.284 280 K C 1.020 177.648 176.600 0.047 0.000 1.046 280 K CA 0.191 56.513 56.287 0.057 0.000 0.999 280 K CB 0.425 32.952 32.500 0.044 0.000 0.941 280 K HN 0.949 nan 8.250 nan 0.000 0.474 281 G N 2.776 111.599 108.800 0.038 0.000 2.225 281 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.267 281 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.267 281 G C 1.123 176.043 174.900 0.034 0.000 1.024 281 G CA 0.586 45.699 45.100 0.022 0.000 0.784 281 G HN 0.734 nan 8.290 nan 0.000 0.507 282 G N -0.118 108.727 108.800 0.076 0.000 2.442 282 G HA2 -0.146 3.813 3.960 -0.000 0.000 0.219 282 G HA3 -0.146 3.813 3.960 -0.000 0.000 0.219 282 G C 1.793 176.772 174.900 0.132 0.000 1.141 282 G CA 1.522 46.711 45.100 0.148 0.000 0.763 282 G HN 0.585 nan 8.290 nan 0.000 0.554 283 M N 0.647 120.285 119.600 0.064 0.000 2.117 283 M HA -0.020 4.460 4.480 -0.000 0.000 0.262 283 M C 3.023 179.343 176.300 0.033 0.000 1.065 283 M CA 1.588 56.914 55.300 0.043 0.000 1.114 283 M CB -0.216 32.384 32.600 -0.001 0.000 1.361 283 M HN 0.319 nan 8.290 nan 0.000 0.408 284 A N 0.107 122.931 122.820 0.007 0.000 1.930 284 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 284 A C 2.075 179.624 177.584 -0.058 0.000 1.176 284 A CA 1.255 53.282 52.037 -0.017 0.000 0.632 284 A CB -0.386 18.602 19.000 -0.021 0.000 0.819 284 A HN 0.367 nan 8.150 nan 0.000 0.445 285 K N -1.614 118.727 120.400 -0.099 0.000 2.103 285 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 285 K C 0.759 177.119 176.600 -0.400 0.000 1.048 285 K CA 1.831 57.954 56.287 -0.274 0.000 0.930 285 K CB -0.243 32.039 32.500 -0.362 0.000 0.716 285 K HN 0.681 nan 8.250 nan 0.000 0.444 286 Y N -0.717 119.550 120.300 -0.055 0.000 2.584 286 Y HA 0.217 4.767 4.550 -0.000 0.000 0.254 286 Y C 0.766 176.628 175.900 -0.063 0.000 1.177 286 Y CA -0.151 57.904 58.100 -0.076 0.000 1.216 286 Y CB 1.373 39.763 38.460 -0.117 0.000 1.172 286 Y HN 0.124 nan 8.280 nan 0.000 0.529 287 G N 1.759 110.591 108.800 0.054 0.000 2.338 287 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.296 287 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.296 287 G C -0.230 174.696 174.900 0.043 0.000 1.040 287 G CA -0.116 45.003 45.100 0.033 0.000 1.004 287 G HN 0.190 nan 8.290 nan 0.000 0.509 288 I N -0.245 120.357 120.570 0.054 0.000 2.371 288 I HA 0.309 4.479 4.170 -0.000 0.000 0.290 288 I C 0.972 177.124 176.117 0.058 0.000 1.028 288 I CA 0.108 61.437 61.300 0.047 0.000 1.345 288 I CB 1.404 39.433 38.000 0.048 0.000 1.407 288 I HN 0.417 nan 8.210 nan 0.000 0.501 289 K N 5.174 125.613 120.400 0.065 0.000 2.344 289 K HA 0.166 4.485 4.320 -0.000 0.000 0.229 289 K C 0.310 176.989 176.600 0.130 0.000 1.112 289 K CA -0.092 56.254 56.287 0.098 0.000 0.850 289 K CB 0.388 32.934 32.500 0.078 0.000 1.311 289 K HN 0.560 nan 8.250 nan 0.000 0.448 290 N N 1.869 120.627 118.700 0.098 0.000 2.445 290 N HA 0.235 4.974 4.740 -0.000 0.000 0.264 290 N C -2.636 172.929 175.510 0.091 0.000 1.227 290 N CA -1.428 51.687 53.050 0.107 0.000 0.963 290 N CB 0.463 38.990 38.487 0.067 0.000 1.188 290 N HN 0.057 nan 8.380 nan 0.000 0.491 291 P HA 0.117 nan 4.420 nan 0.000 0.270 291 P C -0.542 176.780 177.300 0.036 0.000 1.227 291 P CA 0.024 63.151 63.100 0.045 0.000 0.788 291 P CB 0.402 32.092 31.700 -0.018 0.000 0.926 292 I N -1.393 119.195 120.570 0.030 0.000 2.892 292 I HA 0.831 5.001 4.170 -0.000 0.000 0.306 292 I C -0.883 175.359 176.117 0.209 0.000 1.078 292 I CA -1.277 60.044 61.300 0.035 0.000 1.032 292 I CB 2.252 40.183 38.000 -0.114 0.000 1.229 292 I HN 0.387 nan 8.210 nan 0.000 0.435 293 F N 0.686 120.613 119.950 -0.040 0.000 2.779 293 F HA 0.701 5.228 4.527 -0.000 0.000 0.316 293 F C -1.829 173.962 175.800 -0.015 0.000 1.164 293 F CA -1.093 56.906 58.000 -0.002 0.000 0.924 293 F CB 1.591 40.505 39.000 -0.143 0.000 1.348 293 F HN 0.369 nan 8.300 nan 0.000 0.467 294 K N 2.515 122.998 120.400 0.138 0.000 2.292 294 K HA 0.499 4.819 4.320 -0.000 0.000 0.257 294 K C -2.797 173.880 176.600 0.129 0.000 0.940 294 K CA -1.872 54.412 56.287 -0.005 0.000 0.811 294 K CB 2.137 34.661 32.500 0.041 0.000 1.120 294 K HN 0.357 nan 8.250 nan 0.000 0.428 295 P HA -0.009 nan 4.420 nan 0.000 0.275 295 P C -0.446 176.862 177.300 0.014 0.000 1.266 295 P CA -0.491 62.667 63.100 0.098 0.000 0.793 295 P CB 0.811 32.514 31.700 0.004 0.000 1.074 296 S N 0.359 116.048 115.700 -0.018 0.000 2.562 296 S HA 0.290 4.760 4.470 -0.000 0.000 0.275 296 S C -1.244 173.318 174.600 -0.063 0.000 1.281 296 S CA -1.487 56.680 58.200 -0.055 0.000 1.045 296 S CB -0.113 63.036 63.200 -0.085 0.000 0.962 296 S HN 0.312 nan 8.310 nan 0.000 0.503 297 P HA 0.069 nan 4.420 nan 0.000 0.233 297 P C -0.216 177.040 177.300 -0.073 0.000 1.167 297 P CA 0.626 63.688 63.100 -0.063 0.000 0.770 297 P CB 0.147 31.813 31.700 -0.056 0.000 0.837 298 M N 1.187 120.734 119.600 -0.088 0.000 2.027 298 M HA 0.259 4.739 4.480 -0.000 0.000 0.329 298 M C -0.143 176.082 176.300 -0.126 0.000 0.971 298 M CA 0.073 55.311 55.300 -0.103 0.000 0.933 298 M CB 1.504 34.040 32.600 -0.106 0.000 1.392 298 M HN -0.103 nan 8.290 nan 0.000 0.394 299 T N 0.982 115.458 114.554 -0.131 0.000 2.883 299 T HA 0.777 5.127 4.350 -0.000 0.000 0.301 299 T C -2.908 171.674 174.700 -0.197 0.000 1.158 299 T CA -1.655 60.353 62.100 -0.154 0.000 1.007 299 T CB 1.560 70.353 68.868 -0.126 0.000 1.186 299 T HN 0.255 nan 8.240 nan 0.000 0.499 300 P HA 0.232 nan 4.420 nan 0.000 0.267 300 P C 0.224 177.223 177.300 -0.501 0.000 1.205 300 P CA -0.391 62.435 63.100 -0.457 0.000 0.765 300 P CB 0.280 31.663 31.700 -0.527 0.000 0.828 301 N N 2.091 120.496 118.700 -0.492 0.000 2.375 301 N HA -0.059 4.681 4.740 -0.000 0.000 0.220 301 N C -0.530 174.863 175.510 -0.195 0.000 1.170 301 N CA -0.259 52.637 53.050 -0.256 0.000 0.833 301 N CB -0.926 37.476 38.487 -0.141 0.000 1.069 301 N HN 0.420 nan 8.380 nan 0.000 0.479 302 Y N 0.505 120.778 120.300 -0.045 0.000 2.620 302 Y HA 0.074 4.624 4.550 -0.000 0.000 0.330 302 Y C 1.442 177.195 175.900 -0.243 0.000 1.186 302 Y CA -0.271 57.737 58.100 -0.155 0.000 1.467 302 Y CB 0.752 39.089 38.460 -0.206 0.000 1.262 302 Y HN -0.021 nan 8.280 nan 0.000 0.550 303 K N 0.743 121.065 120.400 -0.129 0.000 2.538 303 K HA 0.063 4.383 4.320 -0.000 0.000 0.215 303 K C -0.698 175.801 176.600 -0.168 0.000 1.345 303 K CA 0.183 56.413 56.287 -0.094 0.000 0.985 303 K CB 0.602 33.134 32.500 0.054 0.000 1.116 303 K HN 0.684 nan 8.250 nan 0.000 0.582 304 D N 1.953 122.223 120.400 -0.218 0.000 2.619 304 D HA 0.084 4.724 4.640 -0.000 0.000 0.224 304 D C -0.354 175.850 176.300 -0.161 0.000 1.133 304 D CA 0.058 53.984 54.000 -0.124 0.000 1.017 304 D CB -0.364 40.397 40.800 -0.066 0.000 1.077 304 D HN 0.038 nan 8.370 nan 0.000 0.503 305 Y N 0.427 120.748 120.300 0.036 0.000 2.326 305 Y HA 0.211 4.761 4.550 -0.000 0.000 0.333 305 Y C 0.504 176.338 175.900 -0.110 0.000 1.240 305 Y CA -0.806 57.305 58.100 0.019 0.000 1.365 305 Y CB 0.936 39.447 38.460 0.086 0.000 1.289 305 Y HN 0.136 nan 8.280 nan 0.000 0.548 306 L N 4.412 125.672 121.223 0.062 0.000 2.305 306 L HA 0.530 4.869 4.340 -0.000 0.000 0.284 306 L C -1.092 175.590 176.870 -0.314 0.000 1.013 306 L CA -0.552 54.164 54.840 -0.206 0.000 0.819 306 L CB 0.577 42.481 42.059 -0.257 0.000 1.227 306 L HN 0.448 nan 8.230 nan 0.000 0.417 307 I N 5.157 125.404 120.570 -0.538 0.000 2.404 307 I HA 0.387 4.557 4.170 -0.000 0.000 0.293 307 I C -0.879 174.886 176.117 -0.588 0.000 0.992 307 I CA -0.411 60.589 61.300 -0.500 0.000 1.149 307 I CB 1.262 38.815 38.000 -0.746 0.000 1.315 307 I HN 0.412 nan 8.210 nan 0.000 0.446 308 F N 3.599 123.488 119.950 -0.102 0.000 2.492 308 F HA 0.505 5.032 4.527 -0.000 0.000 0.327 308 F C 0.320 176.121 175.800 0.002 0.000 1.079 308 F CA -0.617 57.352 58.000 -0.053 0.000 0.967 308 F CB 1.509 40.490 39.000 -0.032 0.000 1.169 308 F HN 0.382 nan 8.300 nan 0.000 0.472 309 E N 0.253 120.561 120.200 0.179 0.000 2.244 309 E HA 0.754 5.104 4.350 -0.000 0.000 0.266 309 E C -0.589 176.089 176.600 0.129 0.000 0.914 309 E CA -1.130 55.345 56.400 0.125 0.000 0.794 309 E CB 2.496 32.229 29.700 0.055 0.000 1.210 309 E HN 0.780 nan 8.360 nan 0.000 0.414 310 G N 0.977 109.850 108.800 0.122 0.000 2.690 310 G HA2 0.651 4.611 3.960 -0.000 0.000 0.293 310 G HA3 0.651 4.611 3.960 -0.000 0.000 0.293 310 G C -0.987 173.963 174.900 0.084 0.000 1.399 310 G CA -0.714 44.445 45.100 0.099 0.000 0.890 310 G HN 0.527 nan 8.290 nan 0.000 0.485 311 I N -2.286 118.322 120.570 0.064 0.000 3.108 311 I HA 0.635 4.805 4.170 -0.000 0.000 0.312 311 I C 0.196 176.341 176.117 0.048 0.000 1.095 311 I CA -1.095 60.237 61.300 0.054 0.000 1.000 311 I CB 2.324 40.353 38.000 0.048 0.000 1.229 311 I HN 0.263 nan 8.210 nan 0.000 0.454 312 S N 2.006 117.734 115.700 0.046 0.000 3.305 312 S HA 0.250 4.720 4.470 -0.000 0.000 0.248 312 S C -0.086 174.577 174.600 0.106 0.000 1.288 312 S CA -0.256 57.974 58.200 0.049 0.000 1.249 312 S CB -1.094 62.141 63.200 0.059 0.000 1.116 312 S HN 0.353 nan 8.310 nan 0.000 0.465 313 V N 2.877 122.843 119.914 0.086 0.000 2.409 313 V HA 0.232 4.352 4.120 -0.000 0.000 0.290 313 V C -0.005 176.139 176.094 0.084 0.000 1.017 313 V CA -1.282 61.093 62.300 0.124 0.000 0.841 313 V CB 1.618 33.494 31.823 0.089 0.000 1.003 313 V HN 0.522 nan 8.190 nan 0.000 0.426 314 D N 2.990 123.462 120.400 0.120 0.000 2.380 314 D HA 0.115 4.755 4.640 -0.000 0.000 0.254 314 D C 0.900 177.231 176.300 0.051 0.000 1.288 314 D CA -0.356 53.675 54.000 0.052 0.000 1.008 314 D CB 0.887 41.730 40.800 0.072 0.000 1.099 314 D HN 0.426 nan 8.370 nan 0.000 0.537 315 E N -1.215 119.007 120.200 0.037 0.000 2.268 315 E HA -0.093 4.257 4.350 -0.000 0.000 0.195 315 E C 1.333 177.952 176.600 0.032 0.000 0.995 315 E CA 0.884 57.308 56.400 0.040 0.000 0.836 315 E CB -0.029 29.708 29.700 0.061 0.000 0.763 315 E HN 0.277 nan 8.360 nan 0.000 0.491 316 K N -0.808 119.613 120.400 0.036 0.000 2.426 316 K HA 0.149 4.469 4.320 -0.000 0.000 0.193 316 K C 1.129 177.750 176.600 0.035 0.000 1.028 316 K CA 0.771 57.076 56.287 0.029 0.000 1.047 316 K CB 0.693 33.209 32.500 0.027 0.000 0.821 316 K HN 0.272 nan 8.250 nan 0.000 0.513 317 G N 1.733 110.563 108.800 0.050 0.000 2.157 317 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.239 317 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.239 317 G C -0.046 174.888 174.900 0.057 0.000 0.982 317 G CA -0.183 44.946 45.100 0.049 0.000 0.650 317 G HN 0.155 nan 8.290 nan 0.000 0.527 318 K N 0.114 120.559 120.400 0.074 0.000 2.218 318 K HA 0.380 4.700 4.320 -0.000 0.000 0.276 318 K C 0.283 176.941 176.600 0.096 0.000 1.022 318 K CA -0.430 55.886 56.287 0.049 0.000 0.946 318 K CB 1.252 33.760 32.500 0.013 0.000 1.000 318 K HN 0.275 nan 8.250 nan 0.000 0.468 319 Q N 3.160 122.974 119.800 0.023 0.000 2.296 319 Q HA 0.120 4.460 4.340 -0.000 0.000 0.257 319 Q C -0.686 175.315 176.000 0.003 0.000 0.942 319 Q CA 0.093 55.936 55.803 0.067 0.000 0.939 319 Q CB 0.512 29.278 28.738 0.046 0.000 1.198 319 Q HN 0.478 nan 8.270 nan 0.000 0.429 320 H N 2.285 121.400 119.070 0.074 0.000 2.669 320 H HA 0.281 4.837 4.556 -0.000 0.000 0.318 320 H C -1.279 174.143 175.328 0.156 0.000 1.429 320 H CA -0.668 55.440 56.048 0.100 0.000 1.460 320 H CB 1.129 30.937 29.762 0.076 0.000 1.784 320 H HN 0.644 nan 8.280 nan 0.000 0.750 321 Y N 0.869 121.265 120.300 0.160 0.000 2.338 321 Y HA 0.189 4.739 4.550 -0.000 0.000 0.328 321 Y C 0.031 175.982 175.900 0.085 0.000 0.965 321 Y CA -0.776 57.379 58.100 0.090 0.000 1.208 321 Y CB 0.005 38.498 38.460 0.055 0.000 1.132 321 Y HN 0.617 nan 8.280 nan 0.000 0.469 322 L N 4.989 125.937 121.223 -0.459 0.000 3.833 322 L HA -0.283 4.057 4.340 -0.000 0.000 0.447 322 L C -0.557 176.210 176.870 -0.172 0.000 1.213 322 L CA 0.996 55.590 54.840 -0.409 0.000 0.801 322 L CB -0.543 41.098 42.059 -0.698 0.000 1.676 322 L HN 0.718 nan 8.230 nan 0.000 0.883 323 D N -0.058 120.310 120.400 -0.053 0.000 2.443 323 D HA 0.290 4.930 4.640 -0.000 0.000 0.221 323 D C 1.099 177.396 176.300 -0.005 0.000 1.097 323 D CA -0.250 53.746 54.000 -0.006 0.000 0.865 323 D CB 1.470 42.282 40.800 0.021 0.000 1.034 323 D HN 0.013 nan 8.370 nan 0.000 0.511 324 V N 3.314 123.226 119.914 -0.003 0.000 2.515 324 V HA -0.207 3.913 4.120 -0.000 0.000 0.250 324 V C 2.417 178.561 176.094 0.083 0.000 1.058 324 V CA 1.626 63.938 62.300 0.019 0.000 1.064 324 V CB -0.551 31.259 31.823 -0.022 0.000 0.675 324 V HN 0.548 nan 8.190 nan 0.000 0.461 325 T N 0.242 114.849 114.554 0.089 0.000 2.684 325 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 325 T C 1.952 176.779 174.700 0.211 0.000 1.036 325 T CA 1.762 63.982 62.100 0.200 0.000 1.148 325 T CB -0.281 68.687 68.868 0.167 0.000 0.863 325 T HN 0.311 nan 8.240 nan 0.000 0.436 326 V N 1.453 121.385 119.914 0.029 0.000 2.515 326 V HA -0.096 4.024 4.120 -0.000 0.000 0.250 326 V C 2.777 178.879 176.094 0.014 0.000 1.058 326 V CA 1.465 63.719 62.300 -0.077 0.000 1.064 326 V CB -1.076 30.563 31.823 -0.306 0.000 0.675 326 V HN 0.526 nan 8.190 nan 0.000 0.461 327 A N -1.055 121.811 122.820 0.076 0.000 1.897 327 A HA -0.196 4.124 4.320 -0.000 0.000 0.215 327 A C 2.155 179.861 177.584 0.204 0.000 1.181 327 A CA 1.464 53.566 52.037 0.109 0.000 0.620 327 A CB -0.682 18.376 19.000 0.096 0.000 0.821 327 A HN 0.534 nan 8.150 nan 0.000 0.443 328 Y N 0.531 120.905 120.300 0.123 0.000 2.181 328 Y HA -0.181 4.369 4.550 -0.000 0.000 0.288 328 Y C 2.491 178.551 175.900 0.268 0.000 1.146 328 Y CA 1.787 59.999 58.100 0.185 0.000 1.164 328 Y CB -0.475 38.087 38.460 0.170 0.000 0.982 328 Y HN 0.340 nan 8.280 nan 0.000 0.515 329 R N -0.257 120.405 120.500 0.271 0.000 2.096 329 R HA -0.235 4.105 4.340 -0.000 0.000 0.240 329 R C 2.190 178.421 176.300 -0.115 0.000 1.139 329 R CA 1.978 58.020 56.100 -0.096 0.000 0.952 329 R CB -0.107 29.951 30.300 -0.403 0.000 0.854 329 R HN 0.299 nan 8.270 nan 0.000 0.436 330 Q N 0.063 119.836 119.800 -0.045 0.000 2.077 330 Q HA -0.180 4.160 4.340 -0.000 0.000 0.206 330 Q C 2.078 178.066 176.000 -0.021 0.000 0.989 330 Q CA 2.049 57.834 55.803 -0.029 0.000 0.853 330 Q CB -0.711 28.038 28.738 0.018 0.000 0.907 330 Q HN 0.479 nan 8.270 nan 0.000 0.418 331 A N 0.197 123.027 122.820 0.016 0.000 1.902 331 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 331 A C 2.589 180.116 177.584 -0.095 0.000 1.181 331 A CA 1.549 53.609 52.037 0.038 0.000 0.623 331 A CB -1.015 18.070 19.000 0.141 0.000 0.818 331 A HN 0.484 nan 8.150 nan 0.000 0.443 332 C N -0.825 118.344 119.300 -0.218 0.000 2.432 332 C HA -0.049 4.411 4.460 -0.000 0.000 0.277 332 C C 2.640 177.493 174.990 -0.228 0.000 1.249 332 C CA 0.997 59.858 59.018 -0.262 0.000 1.725 332 C CB -1.536 26.044 27.740 -0.267 0.000 2.028 332 C HN 0.630 nan 8.230 nan 0.000 0.477 333 L N 1.146 122.240 121.223 -0.216 0.000 2.083 333 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 333 L C 2.389 179.172 176.870 -0.145 0.000 1.083 333 L CA 1.321 56.031 54.840 -0.217 0.000 0.752 333 L CB -0.737 41.172 42.059 -0.250 0.000 0.899 333 L HN 0.429 nan 8.230 nan 0.000 0.433 334 N N 0.267 118.901 118.700 -0.109 0.000 2.120 334 N HA -0.169 4.571 4.740 -0.000 0.000 0.188 334 N C 1.872 177.233 175.510 -0.247 0.000 1.024 334 N CA 1.625 54.650 53.050 -0.043 0.000 0.852 334 N CB -0.276 38.277 38.487 0.110 0.000 1.003 334 N HN 0.337 nan 8.380 nan 0.000 0.424 335 A N 1.135 123.580 122.820 -0.626 0.000 1.898 335 A HA -0.037 4.283 4.320 -0.000 0.000 0.216 335 A C 2.372 179.712 177.584 -0.407 0.000 1.181 335 A CA 0.763 52.102 52.037 -1.163 0.000 0.620 335 A CB -0.584 17.844 19.000 -0.953 0.000 0.819 335 A HN 0.194 nan 8.150 nan 0.000 0.442 336 I N -0.366 120.080 120.570 -0.207 0.000 2.127 336 I HA -0.238 3.932 4.170 -0.000 0.000 0.241 336 I C 2.490 178.638 176.117 0.053 0.000 1.075 336 I CA 1.381 62.660 61.300 -0.035 0.000 1.334 336 I CB -0.361 37.625 38.000 -0.022 0.000 1.040 336 I HN 0.277 nan 8.210 nan 0.000 0.405 337 E N 0.130 120.350 120.200 0.034 0.000 2.130 337 E HA -0.287 4.063 4.350 -0.000 0.000 0.196 337 E C 1.957 178.647 176.600 0.150 0.000 0.998 337 E CA 1.573 58.024 56.400 0.085 0.000 0.806 337 E CB -0.539 29.203 29.700 0.070 0.000 0.738 337 E HN 0.576 nan 8.360 nan 0.000 0.459 338 Y N 0.831 121.170 120.300 0.065 0.000 2.163 338 Y HA -0.146 4.404 4.550 -0.000 0.000 0.288 338 Y C 2.319 178.396 175.900 0.296 0.000 1.136 338 Y CA 1.337 59.556 58.100 0.198 0.000 1.147 338 Y CB -0.210 38.427 38.460 0.296 0.000 0.987 338 Y HN -0.051 nan 8.280 nan 0.000 0.509 339 L N 0.010 121.481 121.223 0.413 0.000 2.083 339 L HA -0.243 4.097 4.340 -0.000 0.000 0.209 339 L C 2.330 179.478 176.870 0.464 0.000 1.083 339 L CA 1.533 56.645 54.840 0.455 0.000 0.752 339 L CB -0.454 41.780 42.059 0.291 0.000 0.899 339 L HN 0.144 nan 8.230 nan 0.000 0.433 340 K N -0.135 120.444 120.400 0.297 0.000 2.160 340 K HA -0.178 4.142 4.320 -0.000 0.000 0.206 340 K C 1.919 178.592 176.600 0.121 0.000 1.047 340 K CA 1.059 57.478 56.287 0.220 0.000 0.930 340 K CB 0.024 32.617 32.500 0.155 0.000 0.720 340 K HN 0.103 nan 8.250 nan 0.000 0.450 341 K N -0.210 120.212 120.400 0.036 0.000 2.442 341 K HA -0.079 4.241 4.320 -0.000 0.000 0.198 341 K C 1.324 177.733 176.600 -0.319 0.000 1.042 341 K CA 1.088 57.266 56.287 -0.182 0.000 0.958 341 K CB -0.002 32.288 32.500 -0.351 0.000 0.766 341 K HN 0.190 nan 8.250 nan 0.000 0.474 342 F N -0.496 119.454 119.950 -0.001 0.000 2.749 342 F HA 0.178 4.705 4.527 -0.000 0.000 0.300 342 F C 1.456 177.183 175.800 -0.122 0.000 1.103 342 F CA 0.468 58.465 58.000 -0.006 0.000 1.342 342 F CB 0.818 39.923 39.000 0.175 0.000 1.098 342 F HN 0.193 nan 8.300 nan 0.000 0.586 343 G N -1.137 107.686 108.800 0.039 0.000 2.205 343 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.180 343 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.180 343 G C -0.043 174.821 174.900 -0.059 0.000 1.004 343 G CA -0.764 44.293 45.100 -0.072 0.000 0.670 343 G HN 0.217 nan 8.290 nan 0.000 0.496 344 Y N 2.478 122.891 120.300 0.189 0.000 2.397 344 Y HA 0.439 4.989 4.550 -0.000 0.000 0.335 344 Y C 1.524 177.527 175.900 0.172 0.000 1.213 344 Y CA 0.441 58.660 58.100 0.200 0.000 1.391 344 Y CB 0.948 39.561 38.460 0.256 0.000 1.293 344 Y HN 0.339 nan 8.280 nan 0.000 0.557 345 S N 0.844 116.751 115.700 0.345 0.000 2.624 345 S HA 0.222 4.692 4.470 -0.000 0.000 0.263 345 S C 1.401 176.194 174.600 0.322 0.000 1.287 345 S CA -0.389 57.981 58.200 0.283 0.000 0.990 345 S CB 1.144 64.497 63.200 0.256 0.000 0.950 345 S HN 0.928 nan 8.310 nan 0.000 0.561 346 G N 0.427 109.434 108.800 0.345 0.000 2.432 346 G HA2 0.050 4.009 3.960 -0.000 0.000 0.219 346 G HA3 0.050 4.009 3.960 -0.000 0.000 0.219 346 G C 1.498 176.579 174.900 0.302 0.000 1.135 346 G CA 0.688 46.047 45.100 0.432 0.000 0.767 346 G HN 1.089 nan 8.290 nan 0.000 0.550 347 A N 0.373 123.404 122.820 0.351 0.000 1.898 347 A HA -0.018 4.301 4.320 -0.000 0.000 0.216 347 A C 2.303 180.075 177.584 0.314 0.000 1.181 347 A CA 1.761 53.976 52.037 0.296 0.000 0.620 347 A CB -0.393 18.875 19.000 0.447 0.000 0.819 347 A HN 0.420 nan 8.150 nan 0.000 0.442 348 Q N -0.540 119.427 119.800 0.279 0.000 2.061 348 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 348 Q C 2.431 178.540 176.000 0.182 0.000 0.984 348 Q CA 1.602 57.560 55.803 0.258 0.000 0.846 348 Q CB -0.398 28.555 28.738 0.358 0.000 0.902 348 Q HN 0.688 nan 8.270 nan 0.000 0.421 349 A N 0.161 123.078 122.820 0.163 0.000 1.898 349 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 349 A C 1.923 179.563 177.584 0.094 0.000 1.181 349 A CA 1.289 53.383 52.037 0.094 0.000 0.620 349 A CB -0.814 18.258 19.000 0.120 0.000 0.819 349 A HN 0.487 nan 8.150 nan 0.000 0.442 350 Y N 0.968 121.174 120.300 -0.157 0.000 2.181 350 Y HA -0.142 4.408 4.550 -0.000 0.000 0.288 350 Y C 2.871 178.703 175.900 -0.113 0.000 1.146 350 Y CA 1.178 59.082 58.100 -0.326 0.000 1.164 350 Y CB -0.935 36.938 38.460 -0.978 0.000 0.982 350 Y HN 0.342 nan 8.280 nan 0.000 0.515 351 S N -0.396 115.376 115.700 0.120 0.000 2.368 351 S HA -0.158 4.311 4.470 -0.000 0.000 0.225 351 S C 2.117 176.834 174.600 0.195 0.000 1.030 351 S CA 1.232 59.564 58.200 0.220 0.000 0.999 351 S CB -0.713 62.697 63.200 0.351 0.000 0.844 351 S HN 0.387 nan 8.310 nan 0.000 0.459 352 L N 1.908 123.248 121.223 0.195 0.000 2.013 352 L HA -0.003 4.337 4.340 -0.000 0.000 0.212 352 L C 2.161 179.050 176.870 0.031 0.000 1.073 352 L CA 1.766 56.694 54.840 0.146 0.000 0.753 352 L CB -0.782 41.323 42.059 0.077 0.000 0.890 352 L HN 0.413 nan 8.230 nan 0.000 0.432 353 L N -1.473 119.768 121.223 0.031 0.000 2.275 353 L HA -0.076 4.263 4.340 -0.000 0.000 0.215 353 L C 2.302 179.161 176.870 -0.019 0.000 1.119 353 L CA 0.959 55.802 54.840 0.005 0.000 0.790 353 L CB -1.163 40.911 42.059 0.026 0.000 0.919 353 L HN 0.440 nan 8.230 nan 0.000 0.443 354 G N -0.684 108.097 108.800 -0.032 0.000 2.623 354 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.214 354 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.214 354 G C 1.549 176.373 174.900 -0.127 0.000 1.138 354 G CA 1.089 46.141 45.100 -0.080 0.000 0.794 354 G HN 0.449 nan 8.290 nan 0.000 0.535 355 T N -2.100 112.377 114.554 -0.129 0.000 3.098 355 T HA 0.549 4.899 4.350 -0.000 0.000 0.246 355 T C 1.412 175.956 174.700 -0.261 0.000 0.983 355 T CA 0.573 62.535 62.100 -0.229 0.000 1.094 355 T CB 0.013 68.665 68.868 -0.360 0.000 1.035 355 T HN 0.307 nan 8.240 nan 0.000 0.456 356 A N 3.638 126.231 122.820 -0.378 0.000 2.425 356 A HA 0.521 4.841 4.320 -0.000 0.000 0.242 356 A C -2.088 175.234 177.584 -0.437 0.000 1.077 356 A CA -1.446 50.086 52.037 -0.841 0.000 0.781 356 A CB -0.172 18.321 19.000 -0.846 0.000 1.020 356 A HN 0.342 nan 8.150 nan 0.000 0.494 357 P HA 0.158 nan 4.420 nan 0.000 0.226 357 P C 0.074 177.363 177.300 -0.019 0.000 1.783 357 P CA -0.021 63.000 63.100 -0.132 0.000 0.980 357 P CB -0.845 30.835 31.700 -0.034 0.000 1.967 358 V N -0.719 119.176 119.914 -0.032 0.000 2.924 358 V HA 0.237 4.356 4.120 -0.000 0.000 0.305 358 V C 0.106 176.198 176.094 -0.003 0.000 1.073 358 V CA -0.250 62.090 62.300 0.067 0.000 1.098 358 V CB 0.490 32.358 31.823 0.076 0.000 1.000 358 V HN 0.128 nan 8.190 nan 0.000 0.484 359 Q N 2.678 122.451 119.800 -0.046 0.000 2.245 359 Q HA 0.630 4.970 4.340 -0.000 0.000 0.256 359 Q C 0.022 175.937 176.000 -0.141 0.000 0.942 359 Q CA 0.081 55.708 55.803 -0.294 0.000 0.896 359 Q CB 1.884 30.172 28.738 -0.750 0.000 1.272 359 Q HN 1.134 nan 8.270 nan 0.000 0.442 360 G N 2.207 110.868 108.800 -0.231 0.000 2.502 360 G HA2 0.465 4.424 3.960 -0.000 0.000 0.311 360 G HA3 0.465 4.424 3.960 -0.000 0.000 0.311 360 G C -0.775 173.892 174.900 -0.388 0.000 1.270 360 G CA -0.300 44.715 45.100 -0.143 0.000 0.948 360 G HN 0.476 nan 8.290 nan 0.000 0.487 361 H N 2.234 121.193 119.070 -0.186 0.000 2.472 361 H HA 0.281 4.837 4.556 -0.000 0.000 0.338 361 H C -0.109 175.162 175.328 -0.096 0.000 1.133 361 H CA -0.388 55.561 56.048 -0.165 0.000 1.216 361 H CB 2.738 32.472 29.762 -0.047 0.000 1.497 361 H HN 0.301 nan 8.280 nan 0.000 0.500 362 I N 2.635 123.193 120.570 -0.019 0.000 2.206 362 I HA -0.019 4.151 4.170 -0.000 0.000 0.292 362 I C 1.172 177.315 176.117 0.044 0.000 1.156 362 I CA 0.044 61.332 61.300 -0.021 0.000 1.356 362 I CB 0.220 38.172 38.000 -0.080 0.000 1.494 362 I HN 0.478 nan 8.210 nan 0.000 0.601 363 S N 3.044 118.798 115.700 0.089 0.000 2.355 363 S HA 0.007 4.477 4.470 -0.000 0.000 0.222 363 S C 1.058 175.682 174.600 0.040 0.000 1.031 363 S CA 0.972 59.223 58.200 0.085 0.000 0.993 363 S CB 0.066 63.325 63.200 0.098 0.000 0.859 363 S HN 0.752 nan 8.310 nan 0.000 0.453 364 G N -0.464 108.351 108.800 0.026 0.000 2.701 364 G HA2 0.549 4.509 3.960 -0.000 0.000 0.300 364 G HA3 0.549 4.509 3.960 -0.000 0.000 0.300 364 G C -1.177 173.716 174.900 -0.011 0.000 1.410 364 G CA -0.290 44.813 45.100 0.005 0.000 1.014 364 G HN 0.119 nan 8.290 nan 0.000 0.509 365 V N 2.701 122.599 119.914 -0.026 0.000 3.047 365 V HA 0.227 4.347 4.120 -0.000 0.000 0.374 365 V C 0.693 176.749 176.094 -0.063 0.000 1.399 365 V CA 0.617 62.887 62.300 -0.050 0.000 1.251 365 V CB 0.537 32.330 31.823 -0.050 0.000 1.228 365 V HN 1.099 nan 8.190 nan 0.000 0.589 366 V N -4.083 115.803 119.914 -0.047 0.000 3.332 366 V HA 0.464 4.583 4.120 -0.000 0.000 0.263 366 V C 0.573 176.653 176.094 -0.024 0.000 1.562 366 V CA 0.298 62.577 62.300 -0.036 0.000 1.040 366 V CB 0.332 32.146 31.823 -0.015 0.000 0.857 366 V HN 0.359 nan 8.190 nan 0.000 0.428 367 D N 4.339 124.727 120.400 -0.020 0.000 2.671 367 D HA 0.220 4.860 4.640 -0.000 0.000 0.228 367 D C 0.779 177.082 176.300 0.006 0.000 1.102 367 D CA 0.479 54.478 54.000 -0.001 0.000 1.044 367 D CB 0.665 41.466 40.800 0.003 0.000 1.113 367 D HN 0.620 nan 8.370 nan 0.000 0.480 368 V N 0.549 120.476 119.914 0.020 0.000 2.726 368 V HA -0.018 4.102 4.120 -0.000 0.000 0.304 368 V C -0.967 175.177 176.094 0.085 0.000 1.115 368 V CA -0.715 61.626 62.300 0.067 0.000 1.264 368 V CB 0.240 32.172 31.823 0.182 0.000 0.867 368 V HN 0.212 nan 8.190 nan 0.000 0.498 369 P HA 0.155 nan 4.420 nan 0.000 0.257 369 P C -0.086 177.225 177.300 0.020 0.000 1.241 369 P CA 0.015 63.197 63.100 0.137 0.000 0.816 369 P CB 0.305 32.125 31.700 0.201 0.000 1.150 370 N N 1.125 119.833 118.700 0.014 0.000 2.422 370 N HA 0.365 5.105 4.740 -0.000 0.000 0.266 370 N C 0.020 175.515 175.510 -0.025 0.000 1.007 370 N CA -0.241 52.812 53.050 0.004 0.000 0.941 370 N CB 1.440 39.944 38.487 0.029 0.000 1.115 370 N HN 0.051 nan 8.380 nan 0.000 0.492 371 A N 1.222 124.020 122.820 -0.037 0.000 2.386 371 A HA 0.294 4.614 4.320 -0.000 0.000 0.248 371 A C 0.087 177.678 177.584 0.012 0.000 1.082 371 A CA -0.353 51.669 52.037 -0.026 0.000 0.789 371 A CB 0.353 19.334 19.000 -0.032 0.000 1.025 371 A HN 0.733 nan 8.150 nan 0.000 0.490 372 C N 1.939 121.253 119.300 0.022 0.000 2.340 372 C HA 0.769 5.229 4.460 -0.000 0.000 0.323 372 C C 0.340 175.376 174.990 0.077 0.000 1.260 372 C CA 0.145 59.192 59.018 0.049 0.000 1.464 372 C CB -0.454 27.310 27.740 0.039 0.000 2.156 372 C HN 1.156 nan 8.230 nan 0.000 0.476 373 A N 4.467 127.359 122.820 0.120 0.000 2.350 373 A HA 0.916 5.236 4.320 -0.000 0.000 0.324 373 A C 0.017 177.750 177.584 0.248 0.000 1.118 373 A CA -0.258 51.887 52.037 0.180 0.000 0.783 373 A CB 1.244 20.381 19.000 0.228 0.000 1.236 373 A HN 1.055 nan 8.150 nan 0.000 0.457 374 T N 0.054 114.801 114.554 0.322 0.000 2.885 374 T HA 0.667 5.017 4.350 -0.000 0.000 0.285 374 T C -0.732 174.312 174.700 0.574 0.000 1.019 374 T CA -0.759 61.578 62.100 0.395 0.000 1.010 374 T CB 1.422 70.516 68.868 0.376 0.000 1.022 374 T HN 0.749 nan 8.240 nan 0.000 0.466 375 L N 3.001 124.547 121.223 0.538 0.000 2.349 375 L HA 0.564 4.904 4.340 -0.000 0.000 0.278 375 L C -2.051 175.174 176.870 0.593 0.000 0.996 375 L CA -0.602 54.560 54.840 0.536 0.000 0.825 375 L CB 1.175 43.398 42.059 0.273 0.000 1.243 375 L HN 0.860 nan 8.230 nan 0.000 0.412 376 W N 6.220 127.590 121.300 0.116 0.000 2.294 376 W HA 0.434 5.094 4.660 -0.000 0.000 0.314 376 W C -0.377 176.258 176.519 0.194 0.000 1.044 376 W CA -1.099 56.262 57.345 0.027 0.000 1.284 376 W CB 1.091 30.296 29.460 -0.424 0.000 1.231 376 W HN 0.276 nan 8.180 nan 0.000 0.419 377 L N 7.784 129.318 121.223 0.519 0.000 2.257 377 L HA 0.542 4.882 4.340 -0.000 0.000 0.290 377 L C -2.082 175.060 176.870 0.453 0.000 1.044 377 L CA -2.435 52.669 54.840 0.441 0.000 0.810 377 L CB 0.653 42.948 42.059 0.392 0.000 1.193 377 L HN 0.074 nan 8.230 nan 0.000 0.425 378 P HA 0.128 nan 4.420 nan 0.000 0.276 378 P C 0.353 177.620 177.300 -0.055 0.000 1.253 378 P CA -0.240 62.809 63.100 -0.084 0.000 0.766 378 P CB 0.658 32.221 31.700 -0.228 0.000 0.845 379 T N -0.282 114.248 114.554 -0.040 0.000 3.085 379 T HA -0.044 4.306 4.350 -0.000 0.000 0.263 379 T C 1.154 175.861 174.700 0.013 0.000 1.127 379 T CA 0.751 62.893 62.100 0.071 0.000 1.103 379 T CB -0.504 68.357 68.868 -0.012 0.000 0.921 379 T HN 0.186 nan 8.240 nan 0.000 0.510 380 E N 1.552 121.652 120.200 -0.167 0.000 2.268 380 E HA 0.066 4.416 4.350 -0.000 0.000 0.195 380 E C 1.973 178.407 176.600 -0.277 0.000 0.995 380 E CA 0.883 57.167 56.400 -0.192 0.000 0.836 380 E CB -0.558 29.026 29.700 -0.194 0.000 0.763 380 E HN 0.873 nan 8.360 nan 0.000 0.491 381 I N -2.095 118.211 120.570 -0.440 0.000 3.291 381 I HA 0.039 4.209 4.170 -0.000 0.000 0.279 381 I C -0.164 175.684 176.117 -0.449 0.000 1.294 381 I CA 0.284 61.308 61.300 -0.460 0.000 1.428 381 I CB -0.001 37.650 38.000 -0.582 0.000 1.070 381 I HN -0.213 nan 8.210 nan 0.000 0.478 382 F N 2.660 122.502 119.950 -0.181 0.000 2.422 382 F HA 0.262 4.789 4.527 -0.000 0.000 0.333 382 F C 0.805 176.487 175.800 -0.196 0.000 1.095 382 F CA -1.093 56.746 58.000 -0.268 0.000 1.038 382 F CB 0.943 39.523 39.000 -0.702 0.000 1.156 382 F HN 0.024 nan 8.300 nan 0.000 0.483 383 D N 0.894 121.393 120.400 0.165 0.000 2.352 383 D HA 0.103 4.743 4.640 -0.000 0.000 0.236 383 D C -0.539 175.952 176.300 0.318 0.000 1.148 383 D CA 0.086 54.208 54.000 0.204 0.000 0.844 383 D CB -0.762 40.156 40.800 0.197 0.000 0.933 383 D HN 0.253 nan 8.370 nan 0.000 0.507 384 F N -2.510 117.533 119.950 0.155 0.000 2.645 384 F HA 0.484 5.010 4.527 -0.000 0.000 0.310 384 F C -0.825 175.010 175.800 0.059 0.000 1.102 384 F CA -1.811 56.247 58.000 0.096 0.000 0.952 384 F CB 0.993 40.047 39.000 0.090 0.000 1.326 384 F HN -0.333 nan 8.300 nan 0.000 0.456 385 D N 2.152 122.629 120.400 0.127 0.000 2.339 385 D HA 0.222 4.862 4.640 -0.000 0.000 0.256 385 D C 0.635 176.901 176.300 -0.057 0.000 1.214 385 D CA -0.197 53.806 54.000 0.005 0.000 0.877 385 D CB 0.912 41.759 40.800 0.079 0.000 1.111 385 D HN 0.671 nan 8.370 nan 0.000 0.478 386 I N 0.369 120.749 120.570 -0.317 0.000 3.861 386 I HA 0.269 4.439 4.170 -0.000 0.000 0.329 386 I C 0.278 176.360 176.117 -0.058 0.000 1.321 386 I CA -0.701 60.277 61.300 -0.538 0.000 1.126 386 I CB -0.187 37.215 38.000 -0.997 0.000 1.018 386 I HN -0.002 nan 8.210 nan 0.000 0.407 387 N N 3.331 122.057 118.700 0.044 0.000 2.503 387 N HA 0.299 5.039 4.740 -0.000 0.000 0.267 387 N C -2.290 173.364 175.510 0.240 0.000 1.214 387 N CA -0.970 52.152 53.050 0.121 0.000 0.959 387 N CB 0.426 38.942 38.487 0.048 0.000 1.142 387 N HN 0.071 nan 8.380 nan 0.000 0.455 388 P HA 0.166 nan 4.420 nan 0.000 0.275 388 P C -0.221 177.157 177.300 0.130 0.000 1.227 388 P CA -0.194 63.040 63.100 0.224 0.000 0.781 388 P CB 0.682 32.503 31.700 0.201 0.000 0.906 389 T N -2.177 112.442 114.554 0.108 0.000 2.864 389 T HA 0.638 4.988 4.350 -0.000 0.000 0.289 389 T C 1.041 175.769 174.700 0.045 0.000 1.082 389 T CA -0.305 61.836 62.100 0.070 0.000 1.009 389 T CB 1.323 70.234 68.868 0.071 0.000 1.234 389 T HN 0.154 nan 8.240 nan 0.000 0.526 390 A N 0.529 123.368 122.820 0.032 0.000 1.902 390 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 390 A C 2.043 179.633 177.584 0.011 0.000 1.181 390 A CA 1.364 53.413 52.037 0.019 0.000 0.623 390 A CB -0.824 18.185 19.000 0.015 0.000 0.818 390 A HN 0.849 nan 8.150 nan 0.000 0.443 391 E N -0.678 119.528 120.200 0.011 0.000 2.358 391 E HA 0.264 4.614 4.350 -0.000 0.000 0.195 391 E C 1.200 177.790 176.600 -0.017 0.000 1.010 391 E CA 0.732 57.131 56.400 -0.001 0.000 0.856 391 E CB -0.712 28.991 29.700 0.003 0.000 0.795 391 E HN 0.874 nan 8.360 nan 0.000 0.504 392 G N 2.418 111.208 108.800 -0.016 0.000 2.707 392 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.686 392 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.686 392 G C -2.615 172.225 174.900 -0.101 0.000 1.315 392 G CA -0.622 44.443 45.100 -0.058 0.000 0.832 392 G HN 0.022 nan 8.290 nan 0.000 0.573 393 P HA 0.343 nan 4.420 nan 0.000 0.275 393 P C -0.128 176.974 177.300 -0.330 0.000 1.276 393 P CA -0.112 62.714 63.100 -0.457 0.000 0.782 393 P CB 1.207 32.282 31.700 -1.041 0.000 0.851 394 Q N 3.532 123.256 119.800 -0.128 0.000 2.257 394 Q HA -0.036 4.304 4.340 -0.000 0.000 0.273 394 Q C 0.231 176.160 176.000 -0.118 0.000 1.153 394 Q CA 0.369 56.126 55.803 -0.076 0.000 0.922 394 Q CB 0.045 28.793 28.738 0.017 0.000 1.242 394 Q HN 0.221 nan 8.270 nan 0.000 0.409 395 K N 5.394 125.691 120.400 -0.171 0.000 2.110 395 K HA 0.060 4.380 4.320 -0.000 0.000 0.260 395 K C 0.206 176.719 176.600 -0.146 0.000 1.126 395 K CA -0.003 56.181 56.287 -0.172 0.000 1.005 395 K CB -0.094 32.307 32.500 -0.165 0.000 1.336 395 K HN 0.844 nan 8.250 nan 0.000 0.369 396 I N 3.449 123.911 120.570 -0.181 0.000 3.645 396 I HA 0.027 4.197 4.170 -0.000 0.000 0.300 396 I C 0.056 175.976 176.117 -0.329 0.000 1.260 396 I CA -0.141 60.995 61.300 -0.274 0.000 1.365 396 I CB 0.523 38.287 38.000 -0.394 0.000 1.077 396 I HN 0.480 nan 8.210 nan 0.000 0.439 397 I N 2.978 123.336 120.570 -0.354 0.000 2.460 397 I HA 0.001 4.171 4.170 -0.000 0.000 0.297 397 I C 1.163 177.164 176.117 -0.193 0.000 1.139 397 I CA 0.459 61.556 61.300 -0.339 0.000 1.340 397 I CB -0.957 36.713 38.000 -0.550 0.000 1.444 397 I HN 0.217 nan 8.210 nan 0.000 0.557 398 T N 2.688 117.155 114.554 -0.144 0.000 2.914 398 T HA 0.726 5.076 4.350 -0.000 0.000 0.313 398 T C 0.778 175.444 174.700 -0.057 0.000 1.137 398 T CA 0.001 62.048 62.100 -0.089 0.000 0.946 398 T CB 0.667 69.490 68.868 -0.076 0.000 1.558 398 T HN 0.876 nan 8.240 nan 0.000 0.565 399 G N -0.828 107.949 108.800 -0.037 0.000 2.804 399 G HA2 0.171 4.130 3.960 -0.000 0.000 0.230 399 G HA3 0.171 4.130 3.960 -0.000 0.000 0.230 399 G C 0.551 175.447 174.900 -0.007 0.000 1.386 399 G CA -0.040 45.049 45.100 -0.019 0.000 0.875 399 G HN 1.590 nan 8.290 nan 0.000 0.557 400 G N -1.419 107.383 108.800 0.004 0.000 3.192 400 G HA2 0.528 4.488 3.960 -0.000 0.000 0.239 400 G HA3 0.528 4.488 3.960 -0.000 0.000 0.239 400 G C 0.621 175.541 174.900 0.033 0.000 1.084 400 G CA 0.897 46.007 45.100 0.016 0.000 0.784 400 G HN 1.438 nan 8.290 nan 0.000 0.540 401 V N 1.237 121.173 119.914 0.037 0.000 2.655 401 V HA 0.358 4.478 4.120 -0.000 0.000 0.300 401 V C -0.088 176.061 176.094 0.091 0.000 1.044 401 V CA -0.158 62.179 62.300 0.061 0.000 1.095 401 V CB 1.276 33.128 31.823 0.049 0.000 0.952 401 V HN 0.163 nan 8.190 nan 0.000 0.485 402 D N 1.937 122.400 120.400 0.106 0.000 2.677 402 D HA 0.450 5.090 4.640 -0.000 0.000 0.298 402 D C -1.077 175.256 176.300 0.056 0.000 1.250 402 D CA -0.719 53.344 54.000 0.106 0.000 0.888 402 D CB 1.949 42.806 40.800 0.095 0.000 1.397 402 D HN 0.284 nan 8.370 nan 0.000 0.461 403 L N 2.148 123.366 121.223 -0.008 0.000 2.416 403 L HA 0.311 4.651 4.340 -0.000 0.000 0.272 403 L C -1.830 174.928 176.870 -0.187 0.000 1.161 403 L CA -0.828 53.884 54.840 -0.213 0.000 0.845 403 L CB 0.128 42.069 42.059 -0.197 0.000 1.119 403 L HN 0.218 nan 8.230 nan 0.000 0.464 404 P HA 0.082 nan 4.420 nan 0.000 0.265 404 P C -0.732 176.494 177.300 -0.122 0.000 1.187 404 P CA 0.339 63.337 63.100 -0.171 0.000 0.766 404 P CB 0.483 32.060 31.700 -0.206 0.000 0.820 405 I N 1.235 121.778 120.570 -0.045 0.000 2.582 405 I HA 0.641 4.811 4.170 -0.000 0.000 0.292 405 I C -1.247 174.879 176.117 0.015 0.000 1.066 405 I CA -0.937 60.364 61.300 0.002 0.000 1.053 405 I CB 1.845 39.882 38.000 0.062 0.000 1.241 405 I HN 0.307 nan 8.210 nan 0.000 0.421 406 A N 6.959 129.798 122.820 0.032 0.000 2.318 406 A HA 0.603 4.922 4.320 -0.000 0.000 0.317 406 A C -0.685 176.935 177.584 0.058 0.000 1.159 406 A CA -0.637 51.422 52.037 0.036 0.000 0.799 406 A CB 1.136 20.154 19.000 0.029 0.000 1.194 406 A HN 0.656 nan 8.150 nan 0.000 0.479 407 Q N 1.271 121.101 119.800 0.049 0.000 2.432 407 Q HA 0.062 4.401 4.340 -0.000 0.000 0.264 407 Q C -0.339 175.693 176.000 0.054 0.000 1.035 407 Q CA 0.220 56.054 55.803 0.053 0.000 0.908 407 Q CB 0.583 29.345 28.738 0.040 0.000 1.280 407 Q HN 0.700 nan 8.270 nan 0.000 0.455 408 D N 1.012 121.447 120.400 0.059 0.000 2.368 408 D HA 0.063 4.702 4.640 -0.000 0.000 0.240 408 D C 0.162 176.486 176.300 0.041 0.000 1.169 408 D CA 0.279 54.313 54.000 0.057 0.000 0.906 408 D CB 0.830 41.666 40.800 0.060 0.000 1.187 408 D HN 0.240 nan 8.370 nan 0.000 0.435 409 K N 0.000 120.422 120.400 0.037 0.000 2.780 409 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 409 K CA 0.000 56.303 56.287 0.026 0.000 0.838 409 K CB 0.000 32.513 32.500 0.022 0.000 1.064 409 K HN 0.000 nan 8.250 nan 0.000 0.543