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 1bpo_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAQILPIRFQ EHLQLQNLGI NPANIGFSTL TMESDKFICI REKVGEQAQV DATA SEQUENCE VIIDMNDPSN PIRRPISADS AIMNPASKVI ALKAGKTLQI FNIEMKSKMK DATA SEQUENCE AHTMTDDVTF WKWISLNTVA LVTDNAVYHW SMEGESQPVK MFDRHSSLAG DATA SEQUENCE CQIINYRTDA KQKWLLLTGI SAQQNRVVGA MQLYSVDRKV SQPIEGHAAS DATA SEQUENCE FAQFKMEGNA EESTLFCFAV RGQAGGKLHI IEVGTPPTGN QPFPKKAVDV DATA SEQUENCE FFPPEAQNDF PVAMQISEKH DVVFLITKYG YIHLYDLETG TCIYMNRISG DATA SEQUENCE ETIFVTAPHE ATAGIIGVNR KGQVLSVCVE EENIIPYITN VLQNPDLALR DATA SEQUENCE MAVRNNLAGA EELFARKFNA LFAQGNYSEA AKVAANAPKG ILRTPDTIRR DATA SEQUENCE FQSVPAQPGQ TSPLLQYFGI LLDQGQLNKY ESLELCRPVL QQGRKQLLEK DATA SEQUENCE WLKEDKLECS EELGDLVKSV DPTLALSVYL RANVPNK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.335 176.300 0.059 0.000 1.140 1 M CA 0.000 55.317 55.300 0.028 0.000 0.988 1 M CB 0.000 32.618 32.600 0.030 0.000 1.302 2 A N 1.742 124.631 122.820 0.115 0.000 2.409 2 A HA 0.424 4.744 4.320 0.000 0.000 0.267 2 A C 0.141 177.799 177.584 0.123 0.000 1.127 2 A CA 0.047 52.201 52.037 0.195 0.000 0.795 2 A CB 0.535 19.702 19.000 0.279 0.000 1.061 2 A HN 0.684 nan 8.150 nan 0.000 0.502 3 Q N 1.051 120.917 119.800 0.111 0.000 2.297 3 Q HA 0.335 4.675 4.340 0.000 0.000 0.203 3 Q C 0.160 176.213 176.000 0.087 0.000 0.931 3 Q CA 0.936 56.779 55.803 0.067 0.000 0.885 3 Q CB 0.148 28.904 28.738 0.030 0.000 0.991 3 Q HN 0.797 nan 8.270 nan 0.000 0.498 4 I N -0.471 120.194 120.570 0.158 0.000 2.934 4 I HA 0.335 4.505 4.170 0.000 0.000 0.306 4 I C -1.688 174.482 176.117 0.089 0.000 1.110 4 I CA -1.336 60.038 61.300 0.124 0.000 1.019 4 I CB 1.724 39.800 38.000 0.126 0.000 1.227 4 I HN -0.113 nan 8.210 nan 0.000 0.434 5 L N 8.590 129.792 121.223 -0.034 0.000 2.265 5 L HA 0.620 4.961 4.340 0.000 0.000 0.289 5 L C -2.023 174.664 176.870 -0.305 0.000 1.033 5 L CA -2.065 52.669 54.840 -0.178 0.000 0.814 5 L CB 0.953 42.946 42.059 -0.110 0.000 1.203 5 L HN 0.402 nan 8.230 nan 0.000 0.423 6 P HA 0.040 nan 4.420 nan 0.000 0.240 6 P C -0.012 177.023 177.300 -0.443 0.000 1.190 6 P CA 0.698 63.453 63.100 -0.576 0.000 0.781 6 P CB 0.090 31.211 31.700 -0.965 0.000 0.931 7 I N -4.028 116.257 120.570 -0.474 0.000 2.957 7 I HA 0.591 4.761 4.170 0.000 0.000 0.310 7 I C -0.250 175.784 176.117 -0.139 0.000 1.063 7 I CA -1.714 59.424 61.300 -0.270 0.000 1.033 7 I CB 2.241 40.072 38.000 -0.282 0.000 1.230 7 I HN -0.411 nan 8.210 nan 0.000 0.447 8 R N 1.979 122.447 120.500 -0.053 0.000 2.604 8 R HA 0.561 4.901 4.340 0.000 0.000 0.287 8 R C -1.721 174.633 176.300 0.090 0.000 0.970 8 R CA -0.689 55.410 56.100 -0.002 0.000 0.946 8 R CB 2.217 32.513 30.300 -0.006 0.000 1.127 8 R HN 0.628 nan 8.270 nan 0.000 0.473 9 F N 2.621 122.518 119.950 -0.089 0.000 2.553 9 F HA 0.336 4.863 4.527 0.000 0.000 0.335 9 F C -1.225 174.513 175.800 -0.103 0.000 1.148 9 F CA -0.838 57.111 58.000 -0.085 0.000 0.963 9 F CB 1.384 40.345 39.000 -0.066 0.000 1.217 9 F HN 0.420 nan 8.300 nan 0.000 0.441 10 Q N 3.326 122.952 119.800 -0.289 0.000 2.387 10 Q HA 0.451 4.791 4.340 0.000 0.000 0.273 10 Q C -1.163 174.500 176.000 -0.562 0.000 1.089 10 Q CA -1.024 54.495 55.803 -0.473 0.000 0.824 10 Q CB 2.949 31.448 28.738 -0.398 0.000 1.367 10 Q HN 0.571 nan 8.270 nan 0.000 0.443 11 E N 1.026 120.894 120.200 -0.552 0.000 2.166 11 E HA 0.193 4.543 4.350 0.000 0.000 0.275 11 E C -0.292 176.026 176.600 -0.471 0.000 0.941 11 E CA -0.228 55.939 56.400 -0.389 0.000 0.784 11 E CB 0.735 30.258 29.700 -0.296 0.000 1.115 11 E HN 0.703 nan 8.360 nan 0.000 0.399 12 H N 2.447 121.448 119.070 -0.116 0.000 2.681 12 H HA 0.197 4.753 4.556 0.000 0.000 0.268 12 H C 0.026 175.319 175.328 -0.057 0.000 0.967 12 H CA 0.180 56.178 56.048 -0.084 0.000 1.233 12 H CB 1.275 30.989 29.762 -0.079 0.000 1.445 12 H HN 0.281 nan 8.280 nan 0.000 0.494 13 L N 0.773 122.015 121.223 0.032 0.000 2.672 13 L HA 0.262 4.602 4.340 0.000 0.000 0.256 13 L C -1.776 175.101 176.870 0.012 0.000 0.946 13 L CA -0.618 54.236 54.840 0.023 0.000 0.889 13 L CB 2.320 44.409 42.059 0.050 0.000 1.441 13 L HN -0.229 nan 8.230 nan 0.000 0.418 14 Q N 3.684 123.488 119.800 0.007 0.000 2.372 14 Q HA 0.414 4.754 4.340 0.000 0.000 0.259 14 Q C 0.604 176.620 176.000 0.027 0.000 0.993 14 Q CA -0.222 55.588 55.803 0.012 0.000 0.854 14 Q CB 1.717 30.455 28.738 -0.000 0.000 1.231 14 Q HN 0.909 nan 8.270 nan 0.000 0.462 15 L N 1.994 123.242 121.223 0.042 0.000 2.079 15 L HA -0.264 4.076 4.340 0.000 0.000 0.210 15 L C 2.035 178.930 176.870 0.043 0.000 1.081 15 L CA 1.338 56.208 54.840 0.050 0.000 0.752 15 L CB -0.063 42.039 42.059 0.072 0.000 0.896 15 L HN 0.591 nan 8.230 nan 0.000 0.433 16 Q N -0.143 119.681 119.800 0.039 0.000 2.226 16 Q HA -0.206 4.135 4.340 0.000 0.000 0.204 16 Q C 1.542 177.556 176.000 0.024 0.000 0.975 16 Q CA 1.440 57.262 55.803 0.032 0.000 0.866 16 Q CB -0.563 28.193 28.738 0.030 0.000 0.915 16 Q HN 0.685 nan 8.270 nan 0.000 0.440 17 N N 0.538 119.249 118.700 0.019 0.000 2.585 17 N HA -0.058 4.682 4.740 0.000 0.000 0.188 17 N C 0.997 176.517 175.510 0.017 0.000 1.102 17 N CA 0.283 53.341 53.050 0.014 0.000 0.920 17 N CB 0.071 38.562 38.487 0.008 0.000 0.963 17 N HN 0.185 nan 8.380 nan 0.000 0.447 18 L N -0.045 121.192 121.223 0.023 0.000 2.700 18 L HA 0.232 4.572 4.340 0.000 0.000 0.234 18 L C 0.705 177.591 176.870 0.025 0.000 1.156 18 L CA -0.372 54.483 54.840 0.025 0.000 0.946 18 L CB 0.142 42.221 42.059 0.032 0.000 1.216 18 L HN 0.079 nan 8.230 nan 0.000 0.493 19 G N 1.792 110.606 108.800 0.023 0.000 2.371 19 G HA2 -0.296 3.664 3.960 0.000 0.000 0.299 19 G HA3 -0.296 3.664 3.960 0.000 0.000 0.299 19 G C -0.206 174.710 174.900 0.026 0.000 1.014 19 G CA 0.128 45.241 45.100 0.022 0.000 1.097 19 G HN 0.304 nan 8.290 nan 0.000 0.512 20 I N 0.060 120.649 120.570 0.032 0.000 2.359 20 I HA 0.234 4.404 4.170 0.000 0.000 0.294 20 I C 0.572 176.711 176.117 0.035 0.000 0.987 20 I CA -1.023 60.299 61.300 0.037 0.000 1.225 20 I CB 1.362 39.391 38.000 0.049 0.000 1.366 20 I HN 0.289 nan 8.210 nan 0.000 0.466 21 N N 8.443 127.162 118.700 0.031 0.000 2.440 21 N HA 0.090 4.830 4.740 0.000 0.000 0.265 21 N C -2.000 173.530 175.510 0.032 0.000 1.239 21 N CA -1.125 51.941 53.050 0.027 0.000 0.909 21 N CB 0.839 39.339 38.487 0.022 0.000 1.066 21 N HN 0.234 nan 8.380 nan 0.000 0.474 22 P HA 0.014 nan 4.420 nan 0.000 0.239 22 P C 0.134 177.448 177.300 0.024 0.000 1.184 22 P CA 0.500 63.622 63.100 0.036 0.000 0.760 22 P CB 0.135 31.856 31.700 0.035 0.000 0.884 23 A N -0.190 122.640 122.820 0.017 0.000 2.081 23 A HA -0.019 4.301 4.320 0.000 0.000 0.214 23 A C 1.720 179.305 177.584 0.002 0.000 1.158 23 A CA 0.798 52.839 52.037 0.007 0.000 0.724 23 A CB -0.646 18.360 19.000 0.009 0.000 0.826 23 A HN 0.100 nan 8.150 nan 0.000 0.463 24 N N -0.135 118.573 118.700 0.014 0.000 2.322 24 N HA 0.170 4.910 4.740 0.000 0.000 0.194 24 N C -0.165 175.360 175.510 0.026 0.000 1.126 24 N CA 0.278 53.339 53.050 0.017 0.000 0.845 24 N CB 0.294 38.798 38.487 0.030 0.000 0.976 24 N HN 0.432 nan 8.380 nan 0.000 0.475 25 I N 1.144 121.728 120.570 0.023 0.000 2.243 25 I HA 0.333 4.503 4.170 0.000 0.000 0.289 25 I C 0.583 176.592 176.117 -0.179 0.000 1.140 25 I CA -0.434 60.910 61.300 0.073 0.000 1.289 25 I CB 0.373 38.464 38.000 0.153 0.000 1.498 25 I HN -0.085 nan 8.210 nan 0.000 0.561 26 G N 1.550 110.147 108.800 -0.338 0.000 2.682 26 G HA2 0.247 4.207 3.960 0.000 0.000 0.290 26 G HA3 0.247 4.207 3.960 0.000 0.000 0.290 26 G C -0.131 174.459 174.900 -0.516 0.000 1.425 26 G CA -0.574 44.057 45.100 -0.782 0.000 0.807 26 G HN 0.224 nan 8.290 nan 0.000 0.482 27 F N 1.345 120.939 119.950 -0.593 0.000 2.085 27 F HA -0.213 4.314 4.527 0.000 0.000 0.299 27 F C 2.765 178.602 175.800 0.062 0.000 1.096 27 F CA 3.126 61.116 58.000 -0.017 0.000 1.227 27 F CB 0.035 39.066 39.000 0.052 0.000 0.983 27 F HN 0.422 nan 8.300 nan 0.000 0.482 28 S N -2.149 113.584 115.700 0.055 0.000 2.528 28 S HA -0.016 4.454 4.470 0.000 0.000 0.219 28 S C 1.430 176.016 174.600 -0.024 0.000 0.985 28 S CA 0.839 59.025 58.200 -0.024 0.000 0.914 28 S CB -0.713 62.535 63.200 0.081 0.000 0.776 28 S HN 0.503 nan 8.310 nan 0.000 0.526 29 T N -0.569 113.980 114.554 -0.008 0.000 2.971 29 T HA 0.407 4.757 4.350 0.000 0.000 0.252 29 T C 0.022 174.755 174.700 0.055 0.000 1.022 29 T CA -0.393 61.717 62.100 0.017 0.000 0.980 29 T CB 0.081 68.957 68.868 0.013 0.000 1.044 29 T HN 0.300 nan 8.240 nan 0.000 0.501 30 L N 3.467 124.752 121.223 0.103 0.000 2.341 30 L HA 0.761 5.101 4.340 0.000 0.000 0.278 30 L C -0.758 176.237 176.870 0.208 0.000 1.005 30 L CA -0.398 54.564 54.840 0.203 0.000 0.818 30 L CB 1.388 43.676 42.059 0.381 0.000 1.259 30 L HN 0.353 nan 8.230 nan 0.000 0.418 31 T N 2.702 117.334 114.554 0.129 0.000 2.893 31 T HA 0.659 5.009 4.350 0.000 0.000 0.293 31 T C -0.502 174.244 174.700 0.076 0.000 1.027 31 T CA -0.621 61.529 62.100 0.083 0.000 0.988 31 T CB 1.365 70.249 68.868 0.028 0.000 1.043 31 T HN 0.720 nan 8.240 nan 0.000 0.461 32 M N 3.082 122.719 119.600 0.061 0.000 1.956 32 M HA 0.349 4.829 4.480 0.000 0.000 0.256 32 M C 0.311 176.646 176.300 0.059 0.000 0.869 32 M CA -0.470 54.859 55.300 0.049 0.000 0.886 32 M CB 1.078 33.685 32.600 0.010 0.000 1.739 32 M HN 0.685 nan 8.290 nan 0.000 0.381 33 E N 1.007 121.245 120.200 0.064 0.000 2.358 33 E HA 0.066 4.416 4.350 0.000 0.000 0.195 33 E C 0.139 176.775 176.600 0.060 0.000 1.010 33 E CA 0.539 56.985 56.400 0.078 0.000 0.856 33 E CB 0.270 30.014 29.700 0.073 0.000 0.795 33 E HN 0.734 nan 8.360 nan 0.000 0.504 34 S N 0.068 115.789 115.700 0.035 0.000 2.636 34 S HA 0.127 4.597 4.470 0.000 0.000 0.266 34 S C -0.327 174.260 174.600 -0.021 0.000 1.147 34 S CA -0.488 57.716 58.200 0.007 0.000 0.815 34 S CB 1.055 64.244 63.200 -0.019 0.000 1.119 34 S HN -0.084 nan 8.310 nan 0.000 0.470 35 D N -0.228 120.143 120.400 -0.048 0.000 2.352 35 D HA 0.154 4.795 4.640 0.000 0.000 0.232 35 D C 0.952 177.166 176.300 -0.144 0.000 1.055 35 D CA 0.303 54.263 54.000 -0.066 0.000 0.891 35 D CB -0.019 40.764 40.800 -0.029 0.000 0.897 35 D HN 0.293 nan 8.370 nan 0.000 0.529 36 K N -0.701 119.577 120.400 -0.204 0.000 2.186 36 K HA 0.270 4.590 4.320 0.000 0.000 0.202 36 K C -0.223 175.946 176.600 -0.718 0.000 1.052 36 K CA 0.514 56.523 56.287 -0.465 0.000 0.965 36 K CB 0.161 32.340 32.500 -0.534 0.000 0.746 36 K HN 0.186 nan 8.250 nan 0.000 0.457 37 F N -1.122 118.794 119.950 -0.058 0.000 2.626 37 F HA 0.482 5.009 4.527 0.000 0.000 0.311 37 F C -0.484 175.298 175.800 -0.031 0.000 1.088 37 F CA -1.114 56.859 58.000 -0.045 0.000 0.949 37 F CB 1.695 40.658 39.000 -0.061 0.000 1.322 37 F HN -0.382 nan 8.300 nan 0.000 0.461 38 I N 1.630 122.325 120.570 0.208 0.000 2.608 38 I HA 0.479 4.649 4.170 0.000 0.000 0.295 38 I C -1.436 174.755 176.117 0.123 0.000 1.049 38 I CA -0.754 60.622 61.300 0.125 0.000 1.063 38 I CB 2.164 40.217 38.000 0.089 0.000 1.248 38 I HN 0.586 nan 8.210 nan 0.000 0.424 39 C N 7.558 126.914 119.300 0.094 0.000 2.446 39 C HA 0.702 5.162 4.460 0.000 0.000 0.329 39 C C -0.835 174.198 174.990 0.072 0.000 1.166 39 C CA -0.325 58.733 59.018 0.067 0.000 1.341 39 C CB -0.125 27.637 27.740 0.036 0.000 1.970 39 C HN 0.601 nan 8.230 nan 0.000 0.452 40 I N 5.007 125.616 120.570 0.065 0.000 2.530 40 I HA 0.589 4.759 4.170 0.000 0.000 0.297 40 I C 0.240 176.385 176.117 0.046 0.000 1.011 40 I CA -0.383 60.957 61.300 0.065 0.000 1.107 40 I CB 1.400 39.442 38.000 0.071 0.000 1.285 40 I HN 0.465 nan 8.210 nan 0.000 0.436 41 R N 4.511 125.036 120.500 0.042 0.000 2.246 41 R HA 0.506 4.846 4.340 0.000 0.000 0.332 41 R C -0.846 175.469 176.300 0.025 0.000 0.974 41 R CA -0.509 55.609 56.100 0.030 0.000 0.837 41 R CB 1.191 31.509 30.300 0.030 0.000 1.145 41 R HN 0.619 nan 8.270 nan 0.000 0.467 42 E N 1.810 122.022 120.200 0.020 0.000 2.288 42 E HA 0.219 4.569 4.350 0.000 0.000 0.268 42 E C -0.799 175.808 176.600 0.011 0.000 0.885 42 E CA -0.917 55.493 56.400 0.017 0.000 0.767 42 E CB 2.415 32.127 29.700 0.020 0.000 1.220 42 E HN 0.028 nan 8.360 nan 0.000 0.427 43 K N 2.846 123.252 120.400 0.009 0.000 2.360 43 K HA 0.212 4.532 4.320 0.000 0.000 0.235 43 K C -0.951 175.653 176.600 0.006 0.000 1.077 43 K CA -0.328 55.962 56.287 0.005 0.000 1.035 43 K CB 0.357 32.860 32.500 0.005 0.000 1.623 43 K HN 0.294 nan 8.250 nan 0.000 0.462 44 V N 2.986 122.903 119.914 0.006 0.000 2.403 44 V HA 0.150 4.270 4.120 0.000 0.000 0.265 44 V C 1.370 177.466 176.094 0.004 0.000 1.034 44 V CA 0.745 63.049 62.300 0.006 0.000 1.036 44 V CB -0.109 31.719 31.823 0.007 0.000 1.032 44 V HN 1.034 nan 8.190 nan 0.000 0.478 45 G N 5.403 114.206 108.800 0.005 0.000 2.559 45 G HA2 -0.294 3.666 3.960 0.000 0.000 0.282 45 G HA3 -0.294 3.666 3.960 0.000 0.000 0.282 45 G C 0.594 175.496 174.900 0.002 0.000 1.177 45 G CA 0.540 45.642 45.100 0.003 0.000 0.960 45 G HN 0.662 nan 8.290 nan 0.000 0.540 46 E N 0.873 121.074 120.200 0.001 0.000 2.526 46 E HA 0.319 4.669 4.350 0.000 0.000 0.208 46 E C 0.928 177.526 176.600 -0.002 0.000 0.997 46 E CA 0.790 57.190 56.400 -0.001 0.000 0.961 46 E CB 0.348 30.048 29.700 -0.001 0.000 1.030 46 E HN 0.638 nan 8.360 nan 0.000 0.483 47 Q N 0.107 119.906 119.800 -0.002 0.000 2.230 47 Q HA 0.634 4.974 4.340 0.000 0.000 0.253 47 Q C -1.036 174.962 176.000 -0.003 0.000 0.919 47 Q CA -0.575 55.226 55.803 -0.004 0.000 0.908 47 Q CB 1.624 30.360 28.738 -0.004 0.000 1.245 47 Q HN 0.045 nan 8.270 nan 0.000 0.437 48 A N 4.151 126.967 122.820 -0.006 0.000 2.292 48 A HA 0.621 4.941 4.320 0.000 0.000 0.319 48 A C -1.041 176.538 177.584 -0.009 0.000 1.206 48 A CA -0.584 51.450 52.037 -0.006 0.000 0.835 48 A CB 0.761 19.756 19.000 -0.008 0.000 1.164 48 A HN 0.860 nan 8.150 nan 0.000 0.505 49 Q N 0.601 120.399 119.800 -0.004 0.000 2.605 49 Q HA 0.769 5.109 4.340 0.000 0.000 0.296 49 Q C -1.474 174.526 176.000 0.001 0.000 1.056 49 Q CA -1.144 54.656 55.803 -0.006 0.000 0.778 49 Q CB 2.012 30.749 28.738 -0.002 0.000 1.497 49 Q HN 0.367 nan 8.270 nan 0.000 0.443 50 V N 1.123 121.036 119.914 -0.002 0.000 2.444 50 V HA 0.393 4.513 4.120 0.000 0.000 0.294 50 V C -0.678 175.422 176.094 0.010 0.000 1.022 50 V CA -0.773 61.530 62.300 0.006 0.000 0.850 50 V CB 1.740 33.562 31.823 -0.002 0.000 0.992 50 V HN 0.574 nan 8.190 nan 0.000 0.426 51 V N 6.275 126.202 119.914 0.022 0.000 2.394 51 V HA 0.525 4.646 4.120 0.000 0.000 0.282 51 V C -0.205 175.910 176.094 0.035 0.000 1.031 51 V CA -0.379 61.938 62.300 0.029 0.000 0.881 51 V CB 1.532 33.377 31.823 0.038 0.000 0.982 51 V HN 0.706 nan 8.190 nan 0.000 0.451 52 I N 6.004 126.594 120.570 0.033 0.000 2.390 52 I HA 0.437 4.607 4.170 0.000 0.000 0.283 52 I C -0.427 175.754 176.117 0.106 0.000 1.016 52 I CA -0.144 61.179 61.300 0.040 0.000 1.151 52 I CB 1.396 39.370 38.000 -0.043 0.000 1.293 52 I HN 0.475 nan 8.210 nan 0.000 0.458 53 I N 5.320 125.977 120.570 0.146 0.000 2.304 53 I HA 0.161 4.331 4.170 0.000 0.000 0.291 53 I C 0.027 176.288 176.117 0.240 0.000 1.018 53 I CA -0.308 61.083 61.300 0.152 0.000 1.260 53 I CB 0.781 38.840 38.000 0.099 0.000 1.390 53 I HN 0.481 nan 8.210 nan 0.000 0.475 54 D N 8.094 128.624 120.400 0.218 0.000 2.411 54 D HA 0.115 4.755 4.640 0.000 0.000 0.225 54 D C 0.939 177.199 176.300 -0.066 0.000 1.156 54 D CA -0.409 53.647 54.000 0.094 0.000 0.874 54 D CB 0.940 41.837 40.800 0.162 0.000 1.034 54 D HN 0.345 nan 8.370 nan 0.000 0.502 55 M N 2.841 122.346 119.600 -0.158 0.000 2.706 55 M HA -0.120 4.360 4.480 0.000 0.000 0.253 55 M C 0.428 176.669 176.300 -0.099 0.000 1.063 55 M CA 0.643 55.879 55.300 -0.106 0.000 1.067 55 M CB -1.233 31.291 32.600 -0.127 0.000 1.423 55 M HN 0.336 nan 8.290 nan 0.000 0.530 56 N N 0.348 118.975 118.700 -0.122 0.000 2.251 56 N HA 0.013 4.754 4.740 0.000 0.000 0.217 56 N C -0.580 174.907 175.510 -0.039 0.000 1.124 56 N CA 0.028 53.028 53.050 -0.084 0.000 0.843 56 N CB 0.533 38.951 38.487 -0.114 0.000 1.024 56 N HN 0.121 nan 8.380 nan 0.000 0.501 57 D N -1.300 119.088 120.400 -0.020 0.000 3.816 57 D HA 0.002 4.642 4.640 0.000 0.000 0.228 57 D C -2.247 174.061 176.300 0.014 0.000 1.508 57 D CA -0.650 53.350 54.000 0.001 0.000 1.093 57 D CB 0.329 41.133 40.800 0.006 0.000 1.326 57 D HN -0.046 nan 8.370 nan 0.000 0.787 58 P HA -0.130 nan 4.420 nan 0.000 0.221 58 P C 1.274 178.591 177.300 0.029 0.000 1.145 58 P CA 0.802 63.918 63.100 0.026 0.000 0.795 58 P CB 0.027 31.743 31.700 0.027 0.000 0.775 59 S N -0.561 115.151 115.700 0.021 0.000 2.469 59 S HA -0.075 4.395 4.470 0.000 0.000 0.238 59 S C 0.899 175.512 174.600 0.022 0.000 0.998 59 S CA 0.567 58.778 58.200 0.018 0.000 0.957 59 S CB -0.859 62.348 63.200 0.011 0.000 0.764 59 S HN 0.235 nan 8.310 nan 0.000 0.514 60 N N 2.091 120.808 118.700 0.028 0.000 2.790 60 N HA 0.343 5.084 4.740 0.000 0.000 0.256 60 N C -3.184 172.352 175.510 0.043 0.000 1.409 60 N CA -0.988 52.081 53.050 0.031 0.000 0.799 60 N CB 1.085 39.588 38.487 0.027 0.000 1.170 60 N HN 0.181 nan 8.380 nan 0.000 0.507 61 P HA 0.132 nan 4.420 nan 0.000 0.271 61 P C -0.172 177.156 177.300 0.047 0.000 1.233 61 P CA 0.035 63.166 63.100 0.053 0.000 0.795 61 P CB 0.889 32.617 31.700 0.046 0.000 0.936 62 I N 0.427 121.025 120.570 0.046 0.000 2.436 62 I HA 0.394 4.564 4.170 0.000 0.000 0.289 62 I C 0.449 176.581 176.117 0.024 0.000 1.010 62 I CA -0.250 61.071 61.300 0.034 0.000 1.098 62 I CB 1.714 39.732 38.000 0.030 0.000 1.266 62 I HN 0.129 nan 8.210 nan 0.000 0.434 63 R N 5.327 125.839 120.500 0.019 0.000 2.711 63 R HA 0.760 5.100 4.340 0.000 0.000 0.284 63 R C -1.065 175.238 176.300 0.006 0.000 0.968 63 R CA -0.944 55.163 56.100 0.013 0.000 0.924 63 R CB 1.521 31.830 30.300 0.014 0.000 1.162 63 R HN 0.455 nan 8.270 nan 0.000 0.465 64 R N 2.428 122.926 120.500 -0.004 0.000 2.604 64 R HA 0.331 4.671 4.340 0.000 0.000 0.270 64 R C -2.917 173.366 176.300 -0.028 0.000 1.052 64 R CA -2.291 53.798 56.100 -0.018 0.000 0.902 64 R CB 1.803 32.084 30.300 -0.031 0.000 1.233 64 R HN 0.458 nan 8.270 nan 0.000 0.455 65 P HA 0.410 nan 4.420 nan 0.000 0.282 65 P C -0.445 176.822 177.300 -0.055 0.000 1.262 65 P CA -0.148 62.932 63.100 -0.033 0.000 0.773 65 P CB 0.655 32.338 31.700 -0.029 0.000 0.879 66 I N 1.628 122.170 120.570 -0.047 0.000 2.654 66 I HA 0.062 4.232 4.170 0.000 0.000 0.282 66 I C -0.420 175.674 176.117 -0.038 0.000 1.258 66 I CA -0.274 60.988 61.300 -0.064 0.000 1.088 66 I CB 1.658 39.613 38.000 -0.076 0.000 1.316 66 I HN 0.113 nan 8.210 nan 0.000 0.448 67 S N 4.454 120.132 115.700 -0.037 0.000 2.499 67 S HA 0.809 5.279 4.470 0.000 0.000 0.275 67 S C -0.180 174.407 174.600 -0.020 0.000 1.257 67 S CA -0.230 57.956 58.200 -0.024 0.000 1.050 67 S CB 0.986 64.172 63.200 -0.024 0.000 0.937 67 S HN 0.663 nan 8.310 nan 0.000 0.490 68 A N 3.395 126.209 122.820 -0.009 0.000 2.555 68 A HA 0.430 4.751 4.320 0.000 0.000 0.297 68 A C 0.215 177.796 177.584 -0.005 0.000 1.060 68 A CA -0.607 51.430 52.037 -0.000 0.000 0.710 68 A CB 0.899 19.919 19.000 0.033 0.000 1.282 68 A HN 0.666 nan 8.150 nan 0.000 0.399 69 D N 0.416 120.797 120.400 -0.031 0.000 2.219 69 D HA 0.035 4.675 4.640 0.000 0.000 0.205 69 D C 0.594 176.882 176.300 -0.021 0.000 0.970 69 D CA 2.239 56.212 54.000 -0.044 0.000 0.851 69 D CB 0.502 41.245 40.800 -0.094 0.000 0.943 69 D HN 0.582 nan 8.370 nan 0.000 0.488 70 S N -1.441 114.270 115.700 0.017 0.000 2.552 70 S HA 0.605 5.075 4.470 0.000 0.000 0.272 70 S C -1.984 172.778 174.600 0.271 0.000 1.150 70 S CA -0.520 57.754 58.200 0.123 0.000 0.849 70 S CB 1.854 65.129 63.200 0.126 0.000 1.113 70 S HN 0.049 nan 8.310 nan 0.000 0.458 71 A N 2.970 125.949 122.820 0.264 0.000 2.459 71 A HA 0.795 5.115 4.320 0.000 0.000 0.296 71 A C -0.887 176.785 177.584 0.146 0.000 1.039 71 A CA -0.704 51.475 52.037 0.237 0.000 0.698 71 A CB 0.894 19.971 19.000 0.128 0.000 1.261 71 A HN 1.543 nan 8.150 nan 0.000 0.405 72 I N -0.399 120.218 120.570 0.078 0.000 2.571 72 I HA 0.574 4.744 4.170 0.000 0.000 0.289 72 I C -0.641 175.532 176.117 0.092 0.000 1.115 72 I CA -0.878 60.433 61.300 0.018 0.000 1.045 72 I CB 1.879 39.787 38.000 -0.153 0.000 1.238 72 I HN 0.471 nan 8.210 nan 0.000 0.424 73 M N 3.590 123.170 119.600 -0.034 0.000 2.247 73 M HA 0.247 4.727 4.480 0.000 0.000 0.326 73 M C 0.114 176.040 176.300 -0.623 0.000 1.134 73 M CA -0.121 55.040 55.300 -0.233 0.000 1.136 73 M CB 0.857 33.295 32.600 -0.270 0.000 1.454 73 M HN 0.729 nan 8.290 nan 0.000 0.467 74 N N 1.735 119.888 118.700 -0.912 0.000 2.479 74 N HA 0.079 4.819 4.740 0.000 0.000 0.257 74 N C -1.968 173.153 175.510 -0.649 0.000 1.232 74 N CA -0.807 51.373 53.050 -1.450 0.000 0.920 74 N CB 0.768 38.618 38.487 -1.061 0.000 1.105 74 N HN 0.244 nan 8.380 nan 0.000 0.444 75 P HA 0.007 nan 4.420 nan 0.000 0.225 75 P C -0.382 176.854 177.300 -0.106 0.000 1.148 75 P CA 1.075 64.066 63.100 -0.181 0.000 0.779 75 P CB 0.382 32.028 31.700 -0.089 0.000 0.780 76 A N -2.321 120.418 122.820 -0.135 0.000 2.295 76 A HA 0.280 4.601 4.320 0.000 0.000 0.193 76 A C 0.826 178.420 177.584 0.016 0.000 1.512 76 A CA 0.237 52.240 52.037 -0.056 0.000 1.103 76 A CB -0.054 18.901 19.000 -0.075 0.000 1.331 76 A HN 0.201 nan 8.150 nan 0.000 0.501 77 S N 0.099 115.766 115.700 -0.055 0.000 2.664 77 S HA 0.498 4.968 4.470 0.000 0.000 0.304 77 S C -0.384 174.163 174.600 -0.088 0.000 1.099 77 S CA -0.780 57.401 58.200 -0.033 0.000 1.003 77 S CB 1.029 64.164 63.200 -0.108 0.000 1.092 77 S HN 0.171 nan 8.310 nan 0.000 0.525 78 K N 1.467 121.814 120.400 -0.089 0.000 2.715 78 K HA 0.272 4.592 4.320 0.000 0.000 0.248 78 K C -0.934 175.530 176.600 -0.228 0.000 1.276 78 K CA -0.055 56.088 56.287 -0.240 0.000 1.209 78 K CB -0.739 31.687 32.500 -0.123 0.000 1.509 78 K HN 0.332 nan 8.250 nan 0.000 0.261 79 V N 2.237 121.989 119.914 -0.269 0.000 2.604 79 V HA 0.452 4.572 4.120 0.000 0.000 0.305 79 V C -0.279 175.714 176.094 -0.169 0.000 1.043 79 V CA -0.991 61.201 62.300 -0.180 0.000 0.888 79 V CB 2.360 34.074 31.823 -0.183 0.000 0.995 79 V HN 0.432 nan 8.190 nan 0.000 0.429 80 I N 3.185 123.763 120.570 0.013 0.000 2.569 80 I HA 0.820 4.990 4.170 0.000 0.000 0.296 80 I C -0.161 176.089 176.117 0.223 0.000 1.028 80 I CA -0.812 60.536 61.300 0.080 0.000 1.082 80 I CB 2.028 40.064 38.000 0.059 0.000 1.264 80 I HN 0.709 nan 8.210 nan 0.000 0.429 81 A N 8.381 131.345 122.820 0.241 0.000 2.316 81 A HA 0.646 4.966 4.320 0.000 0.000 0.324 81 A C -1.052 176.778 177.584 0.410 0.000 1.375 81 A CA -0.462 51.701 52.037 0.209 0.000 0.882 81 A CB 0.241 19.101 19.000 -0.232 0.000 1.152 81 A HN 0.645 nan 8.150 nan 0.000 0.512 82 L N 2.144 123.630 121.223 0.438 0.000 2.325 82 L HA 0.536 4.876 4.340 0.000 0.000 0.279 82 L C 0.488 177.576 176.870 0.364 0.000 1.054 82 L CA -0.420 54.650 54.840 0.383 0.000 0.804 82 L CB 1.604 43.769 42.059 0.177 0.000 1.200 82 L HN 0.710 nan 8.230 nan 0.000 0.436 83 K N 2.686 123.174 120.400 0.147 0.000 2.535 83 K HA 0.672 4.992 4.320 0.000 0.000 0.253 83 K C -1.129 175.395 176.600 -0.128 0.000 0.953 83 K CA -0.552 55.630 56.287 -0.176 0.000 0.863 83 K CB 1.682 33.742 32.500 -0.733 0.000 1.111 83 K HN 0.669 nan 8.250 nan 0.000 0.431 84 A N 3.820 126.584 122.820 -0.092 0.000 2.736 84 A HA 0.519 4.839 4.320 0.000 0.000 0.335 84 A C 1.062 178.585 177.584 -0.103 0.000 1.446 84 A CA 0.227 52.218 52.037 -0.076 0.000 1.028 84 A CB -0.306 18.668 19.000 -0.042 0.000 1.154 84 A HN 1.168 nan 8.150 nan 0.000 0.507 85 G N 1.892 110.618 108.800 -0.124 0.000 4.300 85 G HA2 -0.400 3.560 3.960 0.000 0.000 0.222 85 G HA3 -0.400 3.560 3.960 0.000 0.000 0.222 85 G C 1.064 175.871 174.900 -0.154 0.000 1.344 85 G CA 1.402 46.427 45.100 -0.124 0.000 1.014 85 G HN 0.751 nan 8.290 nan 0.000 0.641 86 K N -0.515 119.798 120.400 -0.145 0.000 2.588 86 K HA 0.221 4.541 4.320 0.000 0.000 0.216 86 K C -0.266 176.243 176.600 -0.151 0.000 1.382 86 K CA 0.600 56.791 56.287 -0.160 0.000 1.008 86 K CB 1.101 33.518 32.500 -0.138 0.000 1.138 86 K HN 0.314 nan 8.250 nan 0.000 0.619 87 T N 2.777 117.260 114.554 -0.118 0.000 2.762 87 T HA 0.366 4.716 4.350 0.000 0.000 0.303 87 T C -0.054 174.628 174.700 -0.029 0.000 0.977 87 T CA -0.328 61.726 62.100 -0.076 0.000 0.961 87 T CB 0.440 69.280 68.868 -0.048 0.000 0.944 87 T HN 0.045 nan 8.240 nan 0.000 0.481 88 L N 3.264 124.498 121.223 0.017 0.000 2.395 88 L HA 0.573 4.913 4.340 0.000 0.000 0.269 88 L C 0.322 177.415 176.870 0.372 0.000 1.133 88 L CA -0.635 54.318 54.840 0.190 0.000 0.812 88 L CB 0.715 42.944 42.059 0.283 0.000 1.125 88 L HN 0.530 nan 8.230 nan 0.000 0.452 89 Q N 1.893 121.958 119.800 0.443 0.000 2.379 89 Q HA 0.596 4.936 4.340 0.000 0.000 0.278 89 Q C -1.455 174.759 176.000 0.357 0.000 1.068 89 Q CA -0.431 55.605 55.803 0.388 0.000 0.816 89 Q CB 2.899 31.790 28.738 0.254 0.000 1.387 89 Q HN 0.542 nan 8.270 nan 0.000 0.413 90 I N 3.687 124.404 120.570 0.245 0.000 2.495 90 I HA 0.326 4.496 4.170 0.000 0.000 0.277 90 I C -1.156 175.074 176.117 0.188 0.000 1.045 90 I CA -0.512 60.870 61.300 0.137 0.000 1.135 90 I CB 0.757 38.682 38.000 -0.124 0.000 1.241 90 I HN 0.524 nan 8.210 nan 0.000 0.469 91 F N 6.477 126.461 119.950 0.056 0.000 2.432 91 F HA 0.447 4.974 4.527 0.000 0.000 0.329 91 F C 0.330 176.128 175.800 -0.003 0.000 1.076 91 F CA -0.468 57.550 58.000 0.030 0.000 1.018 91 F CB 1.238 40.261 39.000 0.038 0.000 1.201 91 F HN 0.325 nan 8.300 nan 0.000 0.489 92 N N 6.456 124.670 118.700 -0.810 0.000 2.609 92 N HA 0.125 4.865 4.740 0.000 0.000 0.234 92 N C 0.971 176.156 175.510 -0.541 0.000 1.001 92 N CA -0.222 52.522 53.050 -0.509 0.000 0.926 92 N CB 0.308 38.550 38.487 -0.409 0.000 1.130 92 N HN 0.652 nan 8.380 nan 0.000 0.510 93 I N 1.903 122.417 120.570 -0.094 0.000 2.145 93 I HA -0.290 3.881 4.170 0.000 0.000 0.244 93 I C 2.131 178.246 176.117 -0.002 0.000 1.075 93 I CA 1.302 62.668 61.300 0.110 0.000 1.332 93 I CB -0.802 37.205 38.000 0.011 0.000 1.033 93 I HN 0.604 nan 8.210 nan 0.000 0.410 94 E N 2.047 122.200 120.200 -0.078 0.000 2.045 94 E HA -0.256 4.094 4.350 0.000 0.000 0.212 94 E C 1.708 178.273 176.600 -0.060 0.000 1.039 94 E CA 2.245 58.608 56.400 -0.062 0.000 0.860 94 E CB -0.401 29.253 29.700 -0.077 0.000 0.776 94 E HN 0.559 nan 8.360 nan 0.000 0.467 95 M N -1.294 118.236 119.600 -0.116 0.000 2.771 95 M HA 0.380 4.860 4.480 0.000 0.000 0.341 95 M C -0.316 175.896 176.300 -0.147 0.000 1.226 95 M CA -0.197 55.042 55.300 -0.101 0.000 0.955 95 M CB 0.781 33.323 32.600 -0.096 0.000 1.318 95 M HN -0.148 nan 8.290 nan 0.000 0.514 96 K N 0.957 121.263 120.400 -0.156 0.000 2.852 96 K HA -0.156 4.165 4.320 0.000 0.000 0.248 96 K C -0.594 175.776 176.600 -0.383 0.000 0.967 96 K CA 1.147 57.390 56.287 -0.073 0.000 0.724 96 K CB -1.864 30.784 32.500 0.247 0.000 1.223 96 K HN 0.803 nan 8.250 nan 0.000 0.480 97 S N 0.510 115.816 115.700 -0.657 0.000 2.616 97 S HA 0.378 4.848 4.470 0.000 0.000 0.277 97 S C 0.072 174.284 174.600 -0.647 0.000 1.234 97 S CA -1.030 56.922 58.200 -0.414 0.000 1.028 97 S CB 2.471 65.534 63.200 -0.227 0.000 0.988 97 S HN 0.255 nan 8.310 nan 0.000 0.522 98 K N 1.336 121.670 120.400 -0.110 0.000 2.250 98 K HA 0.322 4.642 4.320 0.000 0.000 0.280 98 K C 0.591 177.212 176.600 0.035 0.000 1.098 98 K CA -0.241 56.117 56.287 0.117 0.000 0.916 98 K CB 0.034 32.715 32.500 0.301 0.000 1.209 98 K HN 0.679 nan 8.250 nan 0.000 0.461 99 M N 2.708 122.301 119.600 -0.013 0.000 2.296 99 M HA -0.068 4.413 4.480 0.000 0.000 0.265 99 M C 0.250 176.577 176.300 0.045 0.000 1.064 99 M CA 1.228 56.522 55.300 -0.011 0.000 1.109 99 M CB 0.042 32.612 32.600 -0.050 0.000 1.396 99 M HN 0.534 nan 8.290 nan 0.000 0.430 100 K N -0.845 119.621 120.400 0.110 0.000 2.768 100 K HA 0.517 4.837 4.320 0.000 0.000 0.283 100 K C -2.232 174.589 176.600 0.368 0.000 1.078 100 K CA -0.335 56.066 56.287 0.191 0.000 0.920 100 K CB 0.779 33.330 32.500 0.085 0.000 1.390 100 K HN -0.013 nan 8.250 nan 0.000 0.389 101 A N 2.179 125.284 122.820 0.476 0.000 2.504 101 A HA 0.860 5.180 4.320 0.000 0.000 0.285 101 A C -1.649 176.178 177.584 0.406 0.000 1.261 101 A CA -0.310 52.040 52.037 0.521 0.000 0.741 101 A CB 1.464 20.628 19.000 0.274 0.000 1.327 101 A HN 0.958 nan 8.150 nan 0.000 0.441 102 H N -0.966 118.105 119.070 0.001 0.000 3.179 102 H HA 0.359 4.915 4.556 0.000 0.000 0.301 102 H C -1.423 173.753 175.328 -0.253 0.000 1.382 102 H CA 0.057 55.952 56.048 -0.255 0.000 1.605 102 H CB 0.724 30.039 29.762 -0.746 0.000 2.343 102 H HN 0.596 nan 8.280 nan 0.000 0.372 103 T N 7.021 121.283 114.554 -0.487 0.000 2.737 103 T HA 0.183 4.533 4.350 0.000 0.000 0.296 103 T C 0.804 175.198 174.700 -0.509 0.000 0.922 103 T CA -0.607 61.273 62.100 -0.367 0.000 1.079 103 T CB 0.146 68.856 68.868 -0.263 0.000 0.892 103 T HN 0.400 nan 8.240 nan 0.000 0.514 104 M N 2.199 121.642 119.600 -0.261 0.000 2.198 104 M HA 0.131 4.611 4.480 0.000 0.000 0.315 104 M C 1.795 177.970 176.300 -0.207 0.000 1.134 104 M CA 0.239 55.419 55.300 -0.201 0.000 1.171 104 M CB 0.224 32.704 32.600 -0.200 0.000 1.413 104 M HN 0.548 nan 8.290 nan 0.000 0.467 105 T N 0.235 114.685 114.554 -0.174 0.000 2.976 105 T HA -0.006 4.344 4.350 0.000 0.000 0.257 105 T C -0.201 174.429 174.700 -0.115 0.000 1.051 105 T CA 0.819 62.839 62.100 -0.133 0.000 1.141 105 T CB 0.106 68.916 68.868 -0.096 0.000 0.881 105 T HN 0.639 nan 8.240 nan 0.000 0.461 106 D N 0.741 121.064 120.400 -0.129 0.000 2.374 106 D HA 0.354 4.994 4.640 0.000 0.000 0.239 106 D C -0.969 175.250 176.300 -0.134 0.000 0.991 106 D CA -0.813 53.123 54.000 -0.105 0.000 0.960 106 D CB 0.556 41.312 40.800 -0.074 0.000 1.284 106 D HN -0.032 nan 8.370 nan 0.000 0.512 107 D N 0.126 120.460 120.400 -0.111 0.000 2.351 107 D HA 0.142 4.783 4.640 0.000 0.000 0.251 107 D C 0.008 176.226 176.300 -0.137 0.000 1.137 107 D CA -0.233 53.688 54.000 -0.131 0.000 0.879 107 D CB 1.299 42.038 40.800 -0.102 0.000 1.181 107 D HN 0.055 nan 8.370 nan 0.000 0.448 108 V N 2.894 122.689 119.914 -0.198 0.000 2.450 108 V HA -0.049 4.071 4.120 0.000 0.000 0.281 108 V C 1.643 177.666 176.094 -0.118 0.000 1.019 108 V CA 0.440 62.633 62.300 -0.179 0.000 1.062 108 V CB 0.825 32.474 31.823 -0.291 0.000 0.979 108 V HN 0.623 nan 8.190 nan 0.000 0.477 109 T N 5.320 119.875 114.554 0.002 0.000 3.129 109 T HA 0.268 4.619 4.350 0.000 0.000 0.251 109 T C -0.270 174.567 174.700 0.228 0.000 1.117 109 T CA 0.433 62.579 62.100 0.077 0.000 1.034 109 T CB -0.409 68.512 68.868 0.088 0.000 0.968 109 T HN 0.570 nan 8.240 nan 0.000 0.526 110 F N 1.104 121.087 119.950 0.055 0.000 2.767 110 F HA 0.447 4.974 4.527 0.000 0.000 0.317 110 F C -2.404 173.573 175.800 0.294 0.000 1.119 110 F CA -1.253 56.856 58.000 0.182 0.000 0.971 110 F CB 0.723 39.848 39.000 0.208 0.000 1.251 110 F HN 0.068 nan 8.300 nan 0.000 0.450 111 W N 4.632 125.763 121.300 -0.281 0.000 2.961 111 W HA 0.767 5.427 4.660 0.000 0.000 0.368 111 W C -2.183 174.236 176.519 -0.167 0.000 1.213 111 W CA -1.678 55.654 57.345 -0.023 0.000 1.173 111 W CB 0.797 30.226 29.460 -0.053 0.000 1.487 111 W HN 0.905 nan 8.180 nan 0.000 0.585 112 K N 0.867 121.192 120.400 -0.125 0.000 2.768 112 K HA 0.160 4.480 4.320 0.000 0.000 0.288 112 K C -2.011 174.553 176.600 -0.060 0.000 1.128 112 K CA -0.472 55.745 56.287 -0.118 0.000 0.987 112 K CB 0.062 32.698 32.500 0.227 0.000 1.377 112 K HN 0.420 nan 8.250 nan 0.000 0.409 113 W N 5.788 127.009 121.300 -0.131 0.000 2.322 113 W HA 0.162 4.822 4.660 0.000 0.000 0.328 113 W C 1.486 178.018 176.519 0.022 0.000 1.395 113 W CA -0.113 57.187 57.345 -0.076 0.000 1.267 113 W CB 0.356 29.756 29.460 -0.100 0.000 1.259 113 W HN 0.545 nan 8.180 nan 0.000 0.560 114 I N 1.028 121.729 120.570 0.218 0.000 3.976 114 I HA 0.352 4.522 4.170 0.000 0.000 0.337 114 I C 0.433 176.649 176.117 0.165 0.000 1.359 114 I CA -0.101 61.305 61.300 0.177 0.000 1.098 114 I CB -0.326 37.738 38.000 0.106 0.000 1.027 114 I HN 0.235 nan 8.210 nan 0.000 0.394 115 S N -0.281 115.554 115.700 0.225 0.000 2.656 115 S HA 0.268 4.738 4.470 0.000 0.000 0.265 115 S C 0.246 174.973 174.600 0.213 0.000 1.110 115 S CA -0.830 57.477 58.200 0.178 0.000 0.821 115 S CB 0.629 63.909 63.200 0.133 0.000 1.099 115 S HN -0.033 nan 8.310 nan 0.000 0.471 116 L N 1.693 122.981 121.223 0.108 0.000 2.357 116 L HA -0.037 4.303 4.340 0.000 0.000 0.220 116 L C 1.435 178.364 176.870 0.098 0.000 1.123 116 L CA 2.380 57.244 54.840 0.040 0.000 0.782 116 L CB -1.888 40.181 42.059 0.016 0.000 0.910 116 L HN 1.006 nan 8.230 nan 0.000 0.442 117 N N -3.031 115.807 118.700 0.231 0.000 2.228 117 N HA -0.011 4.729 4.740 0.000 0.000 0.237 117 N C -0.411 175.243 175.510 0.240 0.000 1.382 117 N CA -0.101 53.136 53.050 0.312 0.000 0.787 117 N CB 0.506 39.073 38.487 0.134 0.000 1.320 117 N HN -0.064 nan 8.380 nan 0.000 0.507 118 T N 0.731 115.412 114.554 0.211 0.000 2.881 118 T HA 0.502 4.852 4.350 0.000 0.000 0.290 118 T C -0.404 174.161 174.700 -0.225 0.000 1.000 118 T CA -0.355 61.735 62.100 -0.018 0.000 0.978 118 T CB 2.604 71.496 68.868 0.040 0.000 0.997 118 T HN -0.039 nan 8.240 nan 0.000 0.443 119 V N 1.944 121.587 119.914 -0.452 0.000 2.713 119 V HA 0.866 4.986 4.120 0.000 0.000 0.307 119 V C 0.130 176.129 176.094 -0.158 0.000 1.052 119 V CA -0.977 60.973 62.300 -0.584 0.000 0.967 119 V CB 1.667 33.035 31.823 -0.758 0.000 1.019 119 V HN 1.060 nan 8.190 nan 0.000 0.459 120 A N 4.434 127.216 122.820 -0.063 0.000 2.304 120 A HA 0.830 5.150 4.320 0.000 0.000 0.314 120 A C -0.876 176.812 177.584 0.173 0.000 1.187 120 A CA -0.519 51.553 52.037 0.059 0.000 0.810 120 A CB 0.561 19.607 19.000 0.076 0.000 1.183 120 A HN 0.776 nan 8.150 nan 0.000 0.487 121 L N 3.172 124.511 121.223 0.194 0.000 2.287 121 L HA 0.510 4.850 4.340 0.000 0.000 0.287 121 L C -0.679 176.277 176.870 0.142 0.000 1.022 121 L CA -0.894 54.067 54.840 0.201 0.000 0.814 121 L CB 1.456 43.553 42.059 0.063 0.000 1.217 121 L HN 0.363 nan 8.230 nan 0.000 0.420 122 V N 2.637 122.650 119.914 0.165 0.000 2.370 122 V HA 0.360 4.480 4.120 0.000 0.000 0.279 122 V C 0.460 176.603 176.094 0.080 0.000 1.029 122 V CA -0.159 62.190 62.300 0.082 0.000 0.870 122 V CB 1.584 33.463 31.823 0.094 0.000 0.984 122 V HN 0.788 nan 8.190 nan 0.000 0.451 123 T N 2.535 117.132 114.554 0.073 0.000 2.923 123 T HA 0.163 4.513 4.350 0.000 0.000 0.281 123 T C 0.977 175.702 174.700 0.041 0.000 0.995 123 T CA -0.189 61.938 62.100 0.045 0.000 0.985 123 T CB 1.460 70.384 68.868 0.094 0.000 1.114 123 T HN 0.850 nan 8.240 nan 0.000 0.548 124 D N 0.072 120.488 120.400 0.027 0.000 2.263 124 D HA -0.086 4.554 4.640 0.000 0.000 0.208 124 D C 1.345 177.660 176.300 0.025 0.000 0.971 124 D CA 1.338 55.354 54.000 0.027 0.000 0.867 124 D CB 0.139 40.949 40.800 0.016 0.000 0.929 124 D HN 0.589 nan 8.370 nan 0.000 0.492 125 N N -1.198 117.518 118.700 0.026 0.000 2.325 125 N HA 0.299 5.039 4.740 0.000 0.000 0.220 125 N C -0.281 175.208 175.510 -0.034 0.000 1.176 125 N CA 0.055 53.110 53.050 0.008 0.000 0.861 125 N CB 0.886 39.378 38.487 0.009 0.000 1.230 125 N HN 0.065 nan 8.380 nan 0.000 0.479 126 A N 0.069 122.880 122.820 -0.014 0.000 2.587 126 A HA 0.713 5.033 4.320 0.000 0.000 0.293 126 A C -1.511 175.942 177.584 -0.219 0.000 1.087 126 A CA -0.659 51.246 52.037 -0.221 0.000 0.692 126 A CB 1.450 20.216 19.000 -0.391 0.000 1.291 126 A HN -0.058 nan 8.150 nan 0.000 0.407 127 V N 1.674 121.157 119.914 -0.719 0.000 2.435 127 V HA 0.595 4.715 4.120 0.000 0.000 0.290 127 V C -0.953 174.771 176.094 -0.617 0.000 1.030 127 V CA -0.227 61.704 62.300 -0.614 0.000 0.881 127 V CB 0.779 31.913 31.823 -1.149 0.000 0.983 127 V HN 0.764 nan 8.190 nan 0.000 0.445 128 Y N 1.804 121.961 120.300 -0.238 0.000 2.662 128 Y HA 0.642 5.192 4.550 0.000 0.000 0.335 128 Y C 0.100 176.096 175.900 0.160 0.000 1.066 128 Y CA -1.463 56.569 58.100 -0.114 0.000 1.116 128 Y CB 1.439 39.834 38.460 -0.109 0.000 1.308 128 Y HN 0.572 nan 8.280 nan 0.000 0.502 129 H N -0.487 118.674 119.070 0.152 0.000 2.782 129 H HA 0.161 4.717 4.556 0.000 0.000 0.347 129 H C -1.895 173.562 175.328 0.215 0.000 1.038 129 H CA -0.727 55.416 56.048 0.159 0.000 1.255 129 H CB 1.782 31.634 29.762 0.151 0.000 1.623 129 H HN 0.637 nan 8.280 nan 0.000 0.525 130 W N 4.139 125.473 121.300 0.056 0.000 2.411 130 W HA 0.307 4.967 4.660 0.000 0.000 0.317 130 W C -0.468 176.026 176.519 -0.043 0.000 1.030 130 W CA -0.994 56.335 57.345 -0.027 0.000 1.239 130 W CB 1.618 31.017 29.460 -0.101 0.000 1.304 130 W HN 0.373 nan 8.180 nan 0.000 0.437 131 S N 6.271 122.021 115.700 0.084 0.000 2.545 131 S HA 0.218 4.688 4.470 0.000 0.000 0.275 131 S C 1.225 175.626 174.600 -0.331 0.000 1.299 131 S CA -0.562 57.590 58.200 -0.079 0.000 1.048 131 S CB 0.601 63.825 63.200 0.041 0.000 0.938 131 S HN 0.617 nan 8.310 nan 0.000 0.496 132 M N 1.422 120.848 119.600 -0.290 0.000 2.682 132 M HA 0.365 4.845 4.480 0.000 0.000 0.235 132 M C -0.192 176.020 176.300 -0.145 0.000 1.114 132 M CA 0.452 55.565 55.300 -0.312 0.000 1.053 132 M CB -0.261 32.304 32.600 -0.058 0.000 1.599 132 M HN 0.335 nan 8.290 nan 0.000 0.520 133 E N 1.664 121.816 120.200 -0.080 0.000 2.231 133 E HA 0.671 5.021 4.350 0.000 0.000 0.277 133 E C 0.611 177.220 176.600 0.015 0.000 0.999 133 E CA 0.605 56.995 56.400 -0.017 0.000 0.827 133 E CB 1.352 31.059 29.700 0.011 0.000 1.101 133 E HN 0.476 nan 8.360 nan 0.000 0.393 134 G N 2.971 111.787 108.800 0.027 0.000 2.633 134 G HA2 -0.332 3.628 3.960 0.000 0.000 0.263 134 G HA3 -0.332 3.628 3.960 0.000 0.000 0.263 134 G C 0.531 175.485 174.900 0.090 0.000 1.310 134 G CA 0.292 45.424 45.100 0.053 0.000 0.914 134 G HN 0.532 nan 8.290 nan 0.000 0.569 135 E N 0.331 120.590 120.200 0.099 0.000 2.489 135 E HA 0.289 4.639 4.350 0.000 0.000 0.193 135 E C 1.897 178.596 176.600 0.165 0.000 1.057 135 E CA 0.916 57.392 56.400 0.126 0.000 0.866 135 E CB -0.045 29.710 29.700 0.092 0.000 0.916 135 E HN 0.907 nan 8.360 nan 0.000 0.500 136 S N -0.052 115.748 115.700 0.166 0.000 2.537 136 S HA -0.094 4.376 4.470 0.000 0.000 0.280 136 S C 0.372 175.137 174.600 0.276 0.000 1.335 136 S CA 0.126 58.441 58.200 0.191 0.000 1.025 136 S CB 0.603 63.913 63.200 0.184 0.000 0.836 136 S HN 0.149 nan 8.310 nan 0.000 0.523 137 Q N 1.249 121.152 119.800 0.172 0.000 2.445 137 Q HA 0.511 4.852 4.340 0.000 0.000 0.281 137 Q C -2.598 173.337 176.000 -0.107 0.000 1.101 137 Q CA -2.564 53.238 55.803 -0.002 0.000 0.833 137 Q CB 1.428 30.168 28.738 0.003 0.000 1.416 137 Q HN 0.505 nan 8.270 nan 0.000 0.451 138 P HA -0.048 nan 4.420 nan 0.000 0.266 138 P C -1.195 176.106 177.300 0.002 0.000 1.193 138 P CA 0.252 63.164 63.100 -0.312 0.000 0.770 138 P CB 0.403 31.692 31.700 -0.684 0.000 0.836 139 V N 3.847 123.836 119.914 0.124 0.000 2.357 139 V HA 0.177 4.297 4.120 0.000 0.000 0.281 139 V C 0.448 176.522 176.094 -0.034 0.000 1.015 139 V CA -0.861 61.483 62.300 0.074 0.000 0.827 139 V CB 0.960 32.819 31.823 0.061 0.000 1.018 139 V HN 0.485 nan 8.190 nan 0.000 0.432 140 K N 4.185 124.488 120.400 -0.162 0.000 2.569 140 K HA 0.003 4.323 4.320 0.000 0.000 0.280 140 K C 0.922 177.281 176.600 -0.401 0.000 0.984 140 K CA 0.656 56.584 56.287 -0.598 0.000 1.064 140 K CB 0.422 32.538 32.500 -0.639 0.000 0.866 140 K HN 0.550 nan 8.250 nan 0.000 0.492 141 M N 3.930 123.230 119.600 -0.499 0.000 2.449 141 M HA 0.185 4.665 4.480 0.000 0.000 0.262 141 M C -0.235 175.934 176.300 -0.218 0.000 1.152 141 M CA 0.420 55.547 55.300 -0.288 0.000 1.104 141 M CB -0.307 32.104 32.600 -0.315 0.000 1.416 141 M HN 0.631 nan 8.290 nan 0.000 0.519 142 F N -2.465 117.142 119.950 -0.572 0.000 3.031 142 F HA 0.535 5.063 4.527 0.000 0.000 0.326 142 F C -2.066 173.454 175.800 -0.466 0.000 1.143 142 F CA -1.576 56.015 58.000 -0.682 0.000 0.871 142 F CB 0.584 38.797 39.000 -1.312 0.000 1.377 142 F HN -0.254 nan 8.300 nan 0.000 0.462 143 D N 1.631 122.006 120.400 -0.041 0.000 2.375 143 D HA 0.286 4.927 4.640 0.000 0.000 0.247 143 D C -0.585 175.793 176.300 0.131 0.000 1.061 143 D CA -0.516 53.444 54.000 -0.066 0.000 0.834 143 D CB 2.102 42.866 40.800 -0.060 0.000 1.247 143 D HN 0.435 nan 8.370 nan 0.000 0.489 144 R N 1.736 122.268 120.500 0.053 0.000 2.523 144 R HA -0.076 4.265 4.340 0.000 0.000 0.281 144 R C 0.710 177.114 176.300 0.173 0.000 0.969 144 R CA 0.235 56.431 56.100 0.160 0.000 1.093 144 R CB 0.254 30.602 30.300 0.079 0.000 0.917 144 R HN 0.500 nan 8.270 nan 0.000 0.408 145 H N 1.440 120.582 119.070 0.120 0.000 2.679 145 H HA -0.025 4.531 4.556 0.000 0.000 0.369 145 H C 0.956 176.313 175.328 0.047 0.000 1.178 145 H CA 0.741 56.829 56.048 0.066 0.000 1.419 145 H CB 1.197 30.991 29.762 0.053 0.000 1.458 145 H HN 0.641 nan 8.280 nan 0.000 0.605 146 S N 1.385 117.084 115.700 -0.003 0.000 2.489 146 S HA -0.122 4.348 4.470 0.000 0.000 0.228 146 S C 1.778 176.532 174.600 0.258 0.000 0.995 146 S CA 0.740 59.003 58.200 0.104 0.000 0.934 146 S CB -0.357 62.801 63.200 -0.069 0.000 0.771 146 S HN 0.607 nan 8.310 nan 0.000 0.522 147 S N 1.234 117.238 115.700 0.507 0.000 2.474 147 S HA 0.133 4.603 4.470 0.000 0.000 0.235 147 S C 1.032 175.687 174.600 0.092 0.000 0.997 147 S CA 0.415 58.719 58.200 0.173 0.000 0.949 147 S CB -0.488 62.692 63.200 -0.035 0.000 0.766 147 S HN 0.433 nan 8.310 nan 0.000 0.517 148 L N 1.371 122.673 121.223 0.132 0.000 2.848 148 L HA 0.486 4.826 4.340 0.000 0.000 0.240 148 L C 0.696 177.614 176.870 0.080 0.000 1.232 148 L CA -0.069 54.823 54.840 0.087 0.000 1.031 148 L CB -0.355 41.765 42.059 0.101 0.000 1.338 148 L HN 0.267 nan 8.230 nan 0.000 0.509 149 A N -0.483 122.381 122.820 0.075 0.000 2.366 149 A HA 0.548 4.868 4.320 0.000 0.000 0.272 149 A C 1.386 178.996 177.584 0.043 0.000 1.135 149 A CA 0.301 52.371 52.037 0.054 0.000 0.804 149 A CB -0.088 18.939 19.000 0.045 0.000 1.064 149 A HN 0.582 nan 8.150 nan 0.000 0.499 150 G N 0.948 109.773 108.800 0.041 0.000 2.198 150 G HA2 -0.226 3.734 3.960 0.000 0.000 0.260 150 G HA3 -0.226 3.734 3.960 0.000 0.000 0.260 150 G C 0.267 175.191 174.900 0.040 0.000 1.025 150 G CA 0.272 45.394 45.100 0.037 0.000 0.769 150 G HN 0.971 nan 8.290 nan 0.000 0.507 151 C N -0.100 119.229 119.300 0.049 0.000 2.370 151 C HA 0.669 5.129 4.460 0.000 0.000 0.354 151 C C 0.761 175.793 174.990 0.070 0.000 1.218 151 C CA -0.659 58.389 59.018 0.051 0.000 2.154 151 C CB 1.598 29.368 27.740 0.050 0.000 2.391 151 C HN 0.695 nan 8.230 nan 0.000 0.540 152 Q N 2.847 122.691 119.800 0.073 0.000 2.323 152 Q HA 0.316 4.656 4.340 0.000 0.000 0.257 152 Q C -0.612 175.468 176.000 0.133 0.000 1.022 152 Q CA 0.050 55.916 55.803 0.105 0.000 0.919 152 Q CB 0.070 28.853 28.738 0.074 0.000 1.220 152 Q HN 0.499 nan 8.270 nan 0.000 0.427 153 I N 7.330 128.008 120.570 0.180 0.000 2.436 153 I HA -0.026 4.144 4.170 0.000 0.000 0.289 153 I C 1.166 177.468 176.117 0.308 0.000 1.083 153 I CA 0.136 61.525 61.300 0.148 0.000 1.372 153 I CB -0.044 38.006 38.000 0.083 0.000 1.408 153 I HN 0.859 nan 8.210 nan 0.000 0.516 154 I N 2.559 123.270 120.570 0.234 0.000 4.035 154 I HA 0.327 4.497 4.170 0.000 0.000 0.321 154 I C 0.320 176.752 176.117 0.526 0.000 1.289 154 I CA 0.279 61.847 61.300 0.447 0.000 1.236 154 I CB 0.504 38.656 38.000 0.254 0.000 1.076 154 I HN 0.496 nan 8.210 nan 0.000 0.418 155 N N 0.015 118.782 118.700 0.111 0.000 2.961 155 N HA 0.387 5.127 4.740 0.000 0.000 0.245 155 N C -2.192 173.301 175.510 -0.027 0.000 1.404 155 N CA -0.472 52.662 53.050 0.140 0.000 0.880 155 N CB 1.901 40.572 38.487 0.306 0.000 1.461 155 N HN 0.147 nan 8.380 nan 0.000 0.510 156 Y N 1.102 121.424 120.300 0.038 0.000 2.362 156 Y HA 0.576 5.127 4.550 0.000 0.000 0.326 156 Y C -1.143 174.919 175.900 0.270 0.000 1.083 156 Y CA -0.474 57.700 58.100 0.124 0.000 1.073 156 Y CB 0.995 39.518 38.460 0.104 0.000 1.211 156 Y HN 0.526 nan 8.280 nan 0.000 0.433 157 R N 3.231 123.589 120.500 -0.237 0.000 2.867 157 R HA 0.813 5.153 4.340 0.000 0.000 0.268 157 R C -1.187 175.040 176.300 -0.123 0.000 1.014 157 R CA -1.258 54.809 56.100 -0.054 0.000 0.946 157 R CB 2.338 32.762 30.300 0.208 0.000 1.208 157 R HN 0.611 nan 8.270 nan 0.000 0.477 158 T N 0.490 115.099 114.554 0.091 0.000 2.901 158 T HA 0.207 4.557 4.350 0.000 0.000 0.293 158 T C -1.155 173.455 174.700 -0.150 0.000 1.084 158 T CA -0.818 61.266 62.100 -0.028 0.000 1.008 158 T CB 1.728 70.600 68.868 0.007 0.000 1.170 158 T HN 0.696 nan 8.240 nan 0.000 0.509 159 D N 0.402 120.483 120.400 -0.533 0.000 2.432 159 D HA 0.418 5.058 4.640 0.000 0.000 0.258 159 D C 1.385 177.639 176.300 -0.076 0.000 1.146 159 D CA -0.474 53.245 54.000 -0.468 0.000 1.015 159 D CB 1.186 41.631 40.800 -0.592 0.000 1.107 159 D HN 0.513 nan 8.370 nan 0.000 0.529 160 A N 0.934 123.764 122.820 0.016 0.000 1.948 160 A HA -0.233 4.087 4.320 0.000 0.000 0.220 160 A C 1.876 179.488 177.584 0.045 0.000 1.177 160 A CA 1.641 53.709 52.037 0.052 0.000 0.636 160 A CB -0.583 18.456 19.000 0.065 0.000 0.815 160 A HN 0.620 nan 8.150 nan 0.000 0.449 161 K N -0.387 120.036 120.400 0.038 0.000 2.458 161 K HA 0.127 4.448 4.320 0.000 0.000 0.194 161 K C -0.096 176.531 176.600 0.044 0.000 1.024 161 K CA 0.225 56.539 56.287 0.046 0.000 1.108 161 K CB 0.069 32.600 32.500 0.052 0.000 0.846 161 K HN 0.577 nan 8.250 nan 0.000 0.518 162 Q N -0.055 119.769 119.800 0.039 0.000 2.434 162 Q HA -0.265 4.075 4.340 0.000 0.000 0.299 162 Q C 0.421 176.445 176.000 0.040 0.000 1.286 162 Q CA 0.428 56.278 55.803 0.077 0.000 0.872 162 Q CB -0.732 28.100 28.738 0.157 0.000 1.193 162 Q HN 0.076 nan 8.270 nan 0.000 0.466 163 K N -1.159 119.223 120.400 -0.030 0.000 2.367 163 K HA 0.124 4.444 4.320 0.000 0.000 0.195 163 K C -0.402 175.947 176.600 -0.418 0.000 1.060 163 K CA 0.691 56.865 56.287 -0.188 0.000 1.022 163 K CB 0.554 32.944 32.500 -0.184 0.000 0.894 163 K HN 0.249 nan 8.250 nan 0.000 0.540 164 W N 1.420 122.568 121.300 -0.253 0.000 2.683 164 W HA 0.487 5.147 4.660 0.000 0.000 0.329 164 W C -0.634 175.714 176.519 -0.285 0.000 1.037 164 W CA -0.570 56.583 57.345 -0.320 0.000 1.232 164 W CB 0.963 30.149 29.460 -0.457 0.000 1.390 164 W HN -0.290 nan 8.180 nan 0.000 0.465 165 L N 4.264 125.568 121.223 0.136 0.000 2.362 165 L HA 0.755 5.095 4.340 0.000 0.000 0.271 165 L C -0.960 176.052 176.870 0.237 0.000 1.002 165 L CA -1.354 53.612 54.840 0.210 0.000 0.818 165 L CB 1.539 43.928 42.059 0.550 0.000 1.298 165 L HN 0.229 nan 8.230 nan 0.000 0.420 166 L N 3.107 124.443 121.223 0.189 0.000 2.385 166 L HA 0.704 5.044 4.340 0.000 0.000 0.273 166 L C -1.408 175.639 176.870 0.295 0.000 0.990 166 L CA -0.411 54.562 54.840 0.221 0.000 0.821 166 L CB 1.966 44.177 42.059 0.254 0.000 1.279 166 L HN 0.556 nan 8.230 nan 0.000 0.412 167 L N 3.937 125.368 121.223 0.347 0.000 2.362 167 L HA 0.817 5.157 4.340 0.000 0.000 0.275 167 L C -0.870 176.108 176.870 0.180 0.000 0.998 167 L CA 0.310 55.371 54.840 0.368 0.000 0.820 167 L CB 2.249 44.576 42.059 0.447 0.000 1.270 167 L HN 0.736 nan 8.230 nan 0.000 0.415 168 T N 3.134 117.761 114.554 0.121 0.000 2.876 168 T HA 0.885 5.235 4.350 0.000 0.000 0.289 168 T C -0.310 174.433 174.700 0.071 0.000 1.014 168 T CA -0.518 61.639 62.100 0.094 0.000 0.986 168 T CB 1.721 70.664 68.868 0.124 0.000 1.021 168 T HN 0.862 nan 8.240 nan 0.000 0.458 169 G N 1.160 110.002 108.800 0.071 0.000 2.690 169 G HA2 0.790 4.750 3.960 0.000 0.000 0.291 169 G HA3 0.790 4.750 3.960 0.000 0.000 0.291 169 G C -1.360 173.576 174.900 0.061 0.000 1.403 169 G CA -0.942 44.200 45.100 0.071 0.000 0.864 169 G HN 0.894 nan 8.290 nan 0.000 0.480 170 I N -1.454 119.152 120.570 0.059 0.000 3.145 170 I HA 0.928 5.098 4.170 0.000 0.000 0.313 170 I C -0.229 175.897 176.117 0.015 0.000 1.122 170 I CA -1.240 60.079 61.300 0.032 0.000 0.987 170 I CB 2.575 40.606 38.000 0.051 0.000 1.236 170 I HN 0.731 nan 8.210 nan 0.000 0.453 171 S N 1.229 116.920 115.700 -0.015 0.000 2.578 171 S HA 0.773 5.243 4.470 0.000 0.000 0.285 171 S C -0.925 173.654 174.600 -0.036 0.000 1.126 171 S CA -0.643 57.550 58.200 -0.012 0.000 0.878 171 S CB 0.959 64.158 63.200 -0.002 0.000 1.091 171 S HN 1.289 nan 8.310 nan 0.000 0.450 172 A N 2.025 124.829 122.820 -0.028 0.000 2.354 172 A HA 0.578 4.898 4.320 0.000 0.000 0.281 172 A C 0.088 177.654 177.584 -0.030 0.000 1.174 172 A CA -0.446 51.568 52.037 -0.038 0.000 0.828 172 A CB 0.015 19.000 19.000 -0.024 0.000 1.099 172 A HN 0.731 nan 8.150 nan 0.000 0.516 173 Q N 2.927 122.703 119.800 -0.040 0.000 2.509 173 Q HA 0.304 4.645 4.340 0.000 0.000 0.236 173 Q C -0.242 175.739 176.000 -0.030 0.000 1.073 173 Q CA -0.711 55.073 55.803 -0.032 0.000 0.867 173 Q CB 0.823 29.539 28.738 -0.037 0.000 1.181 173 Q HN 0.888 nan 8.270 nan 0.000 0.526 174 Q N -0.049 119.739 119.800 -0.020 0.000 1.659 174 Q HA -0.406 3.934 4.340 0.000 0.000 0.347 174 Q C 0.659 176.647 176.000 -0.020 0.000 0.831 174 Q CA 1.623 57.416 55.803 -0.017 0.000 0.873 174 Q CB -1.199 27.530 28.738 -0.016 0.000 3.305 174 Q HN 0.720 nan 8.270 nan 0.000 0.659 175 N N 0.979 119.665 118.700 -0.023 0.000 2.047 175 N HA -0.067 4.673 4.740 0.000 0.000 0.193 175 N C 0.949 176.438 175.510 -0.036 0.000 1.055 175 N CA 0.898 53.935 53.050 -0.021 0.000 0.847 175 N CB 0.265 38.739 38.487 -0.022 0.000 1.038 175 N HN 0.214 nan 8.380 nan 0.000 0.427 176 R N 0.481 120.942 120.500 -0.064 0.000 2.843 176 R HA 0.354 4.694 4.340 0.000 0.000 0.232 176 R C -0.743 175.466 176.300 -0.153 0.000 1.305 176 R CA -0.605 55.426 56.100 -0.115 0.000 1.096 176 R CB 1.149 31.354 30.300 -0.159 0.000 1.455 176 R HN -0.127 nan 8.270 nan 0.000 0.520 177 V N 2.911 122.657 119.914 -0.281 0.000 2.427 177 V HA 0.151 4.271 4.120 0.000 0.000 0.268 177 V C 0.207 176.168 176.094 -0.222 0.000 1.046 177 V CA -0.582 61.536 62.300 -0.304 0.000 0.970 177 V CB 0.632 32.085 31.823 -0.616 0.000 1.001 177 V HN 0.437 nan 8.190 nan 0.000 0.476 178 V N 2.382 122.212 119.914 -0.141 0.000 2.370 178 V HA 0.883 5.003 4.120 0.000 0.000 0.279 178 V C 0.669 176.680 176.094 -0.138 0.000 1.029 178 V CA -0.337 61.874 62.300 -0.148 0.000 0.870 178 V CB 0.898 32.657 31.823 -0.105 0.000 0.984 178 V HN 0.858 nan 8.190 nan 0.000 0.451 179 G N 3.184 111.825 108.800 -0.264 0.000 2.356 179 G HA2 0.669 4.629 3.960 0.000 0.000 0.298 179 G HA3 0.669 4.629 3.960 0.000 0.000 0.298 179 G C -0.251 174.575 174.900 -0.124 0.000 1.145 179 G CA -0.225 44.784 45.100 -0.151 0.000 0.850 179 G HN 1.593 nan 8.290 nan 0.000 0.487 180 A N 3.023 125.813 122.820 -0.050 0.000 2.332 180 A HA 0.732 5.052 4.320 0.000 0.000 0.300 180 A C -0.059 177.508 177.584 -0.029 0.000 1.153 180 A CA -0.595 51.411 52.037 -0.052 0.000 0.764 180 A CB 0.799 19.780 19.000 -0.032 0.000 1.174 180 A HN 0.662 nan 8.150 nan 0.000 0.467 181 M N 1.687 121.249 119.600 -0.065 0.000 2.508 181 M HA 0.473 4.953 4.480 0.000 0.000 0.327 181 M C -0.294 175.957 176.300 -0.082 0.000 1.160 181 M CA -0.357 54.920 55.300 -0.038 0.000 0.980 181 M CB 2.129 34.706 32.600 -0.038 0.000 1.693 181 M HN 0.757 nan 8.290 nan 0.000 0.452 182 Q N 3.142 122.933 119.800 -0.015 0.000 2.381 182 Q HA 0.419 4.759 4.340 0.000 0.000 0.263 182 Q C -1.928 174.053 176.000 -0.032 0.000 1.030 182 Q CA -0.731 55.050 55.803 -0.036 0.000 0.772 182 Q CB 1.467 30.252 28.738 0.077 0.000 1.232 182 Q HN 0.684 nan 8.270 nan 0.000 0.476 183 L N 5.710 126.869 121.223 -0.107 0.000 2.270 183 L HA 0.329 4.669 4.340 0.000 0.000 0.286 183 L C -1.728 175.103 176.870 -0.066 0.000 1.059 183 L CA -0.299 54.472 54.840 -0.115 0.000 0.839 183 L CB 0.345 42.233 42.059 -0.285 0.000 1.221 183 L HN 0.565 nan 8.230 nan 0.000 0.431 184 Y N 3.816 123.948 120.300 -0.280 0.000 2.328 184 Y HA 0.474 5.024 4.550 0.000 0.000 0.337 184 Y C 0.166 175.876 175.900 -0.317 0.000 1.008 184 Y CA -0.292 57.554 58.100 -0.423 0.000 1.129 184 Y CB 1.382 39.233 38.460 -1.015 0.000 1.185 184 Y HN 0.672 nan 8.280 nan 0.000 0.476 185 S N 5.232 120.259 115.700 -1.121 0.000 2.465 185 S HA 0.270 4.740 4.470 0.000 0.000 0.279 185 S C 0.659 174.352 174.600 -1.512 0.000 1.201 185 S CA -0.588 56.826 58.200 -1.309 0.000 1.053 185 S CB 0.539 63.057 63.200 -1.136 0.000 0.953 185 S HN 0.743 nan 8.310 nan 0.000 0.488 186 V N 5.019 124.319 119.914 -1.024 0.000 2.229 186 V HA -0.092 4.029 4.120 0.000 0.000 0.243 186 V C 2.044 177.882 176.094 -0.426 0.000 1.042 186 V CA 1.934 63.913 62.300 -0.534 0.000 1.000 186 V CB -0.582 31.081 31.823 -0.267 0.000 0.637 186 V HN 0.779 nan 8.190 nan 0.000 0.446 187 D N 0.080 120.208 120.400 -0.453 0.000 2.092 187 D HA -0.168 4.472 4.640 0.000 0.000 0.193 187 D C 2.095 178.212 176.300 -0.305 0.000 0.994 187 D CA 1.458 55.270 54.000 -0.314 0.000 0.828 187 D CB -0.304 40.322 40.800 -0.290 0.000 0.963 187 D HN 0.466 nan 8.370 nan 0.000 0.450 188 R N 1.171 121.419 120.500 -0.419 0.000 2.555 188 R HA 0.053 4.393 4.340 0.000 0.000 0.272 188 R C 0.002 176.115 176.300 -0.313 0.000 1.089 188 R CA -0.150 55.764 56.100 -0.310 0.000 1.126 188 R CB -0.216 29.917 30.300 -0.279 0.000 1.250 188 R HN -0.117 nan 8.270 nan 0.000 0.551 189 K N 0.233 120.431 120.400 -0.335 0.000 2.951 189 K HA -0.195 4.125 4.320 0.000 0.000 0.236 189 K C -0.159 176.368 176.600 -0.123 0.000 0.844 189 K CA 0.868 57.030 56.287 -0.207 0.000 0.616 189 K CB -1.373 31.116 32.500 -0.018 0.000 1.343 189 K HN 0.214 nan 8.250 nan 0.000 0.488 190 V N 0.011 119.753 119.914 -0.287 0.000 3.093 190 V HA 0.479 4.599 4.120 0.000 0.000 0.320 190 V C 0.257 176.277 176.094 -0.123 0.000 1.093 190 V CA -0.611 61.614 62.300 -0.125 0.000 1.016 190 V CB 1.959 33.709 31.823 -0.121 0.000 1.096 190 V HN 0.361 nan 8.190 nan 0.000 0.452 191 S N 2.099 117.821 115.700 0.038 0.000 2.566 191 S HA 0.592 5.063 4.470 0.000 0.000 0.273 191 S C -1.303 173.339 174.600 0.069 0.000 1.157 191 S CA -0.754 57.494 58.200 0.081 0.000 0.938 191 S CB 1.780 65.117 63.200 0.227 0.000 1.087 191 S HN 0.888 nan 8.310 nan 0.000 0.474 192 Q N 2.625 122.425 119.800 -0.000 0.000 2.397 192 Q HA 0.744 5.084 4.340 0.000 0.000 0.275 192 Q C -3.134 172.777 176.000 -0.149 0.000 1.090 192 Q CA -2.464 53.317 55.803 -0.036 0.000 0.809 192 Q CB 2.228 30.945 28.738 -0.035 0.000 1.362 192 Q HN 0.417 nan 8.270 nan 0.000 0.431 193 P HA 0.423 nan 4.420 nan 0.000 0.292 193 P C -0.841 176.329 177.300 -0.217 0.000 1.287 193 P CA -0.258 62.642 63.100 -0.333 0.000 0.800 193 P CB 0.857 32.242 31.700 -0.525 0.000 0.945 194 I N 0.725 121.161 120.570 -0.223 0.000 2.647 194 I HA 0.367 4.537 4.170 0.000 0.000 0.295 194 I C 0.254 176.251 176.117 -0.201 0.000 1.078 194 I CA -1.024 60.130 61.300 -0.244 0.000 1.048 194 I CB 2.658 40.404 38.000 -0.425 0.000 1.239 194 I HN 0.265 nan 8.210 nan 0.000 0.421 195 E N 3.630 123.748 120.200 -0.136 0.000 2.105 195 E HA 0.544 4.894 4.350 0.000 0.000 0.285 195 E C -0.554 176.021 176.600 -0.043 0.000 1.055 195 E CA -0.199 56.144 56.400 -0.095 0.000 0.843 195 E CB 1.185 30.850 29.700 -0.058 0.000 1.067 195 E HN 0.890 nan 8.360 nan 0.000 0.398 196 G N 3.079 111.837 108.800 -0.070 0.000 2.718 196 G HA2 0.181 4.141 3.960 0.000 0.000 0.295 196 G HA3 0.181 4.141 3.960 0.000 0.000 0.295 196 G C -0.339 174.583 174.900 0.037 0.000 1.421 196 G CA -0.438 44.714 45.100 0.086 0.000 0.902 196 G HN 0.564 nan 8.290 nan 0.000 0.501 197 H N 0.157 119.337 119.070 0.184 0.000 2.439 197 H HA 0.520 5.076 4.556 0.000 0.000 0.299 197 H C 1.139 176.571 175.328 0.173 0.000 1.033 197 H CA 1.330 57.483 56.048 0.176 0.000 1.348 197 H CB 1.247 31.137 29.762 0.214 0.000 1.449 197 H HN 0.733 nan 8.280 nan 0.000 0.544 198 A N -0.021 122.974 122.820 0.291 0.000 2.594 198 A HA 0.745 5.065 4.320 0.000 0.000 0.295 198 A C -1.206 176.455 177.584 0.127 0.000 1.071 198 A CA 0.142 52.293 52.037 0.190 0.000 0.685 198 A CB 1.658 20.750 19.000 0.153 0.000 1.285 198 A HN 0.352 nan 8.150 nan 0.000 0.405 199 A N -0.054 122.809 122.820 0.072 0.000 2.564 199 A HA 0.995 5.316 4.320 0.000 0.000 0.291 199 A C -0.489 177.044 177.584 -0.085 0.000 1.102 199 A CA 0.145 52.150 52.037 -0.054 0.000 0.660 199 A CB 0.871 19.837 19.000 -0.055 0.000 1.283 199 A HN 2.472 nan 8.150 nan 0.000 0.430 200 S N -1.244 114.314 115.700 -0.237 0.000 2.578 200 S HA 0.724 5.194 4.470 0.000 0.000 0.272 200 S C -1.771 172.634 174.600 -0.326 0.000 1.145 200 S CA -0.521 57.578 58.200 -0.168 0.000 0.835 200 S CB 0.480 63.669 63.200 -0.018 0.000 1.104 200 S HN 0.885 nan 8.310 nan 0.000 0.458 201 F N 1.572 121.592 119.950 0.117 0.000 2.450 201 F HA 0.880 5.407 4.527 0.000 0.000 0.328 201 F C 0.736 176.562 175.800 0.043 0.000 1.068 201 F CA -0.031 58.028 58.000 0.099 0.000 1.007 201 F CB 1.989 41.059 39.000 0.116 0.000 1.251 201 F HN 0.817 nan 8.300 nan 0.000 0.492 202 A N 1.124 124.068 122.820 0.206 0.000 2.547 202 A HA 0.600 4.920 4.320 0.000 0.000 0.297 202 A C -1.582 176.075 177.584 0.121 0.000 1.056 202 A CA -0.841 51.271 52.037 0.124 0.000 0.688 202 A CB 1.638 20.659 19.000 0.036 0.000 1.282 202 A HN 0.503 nan 8.150 nan 0.000 0.400 203 Q N 0.608 120.487 119.800 0.133 0.000 2.256 203 Q HA 0.593 4.934 4.340 0.000 0.000 0.254 203 Q C -1.725 174.397 176.000 0.204 0.000 0.916 203 Q CA 0.069 55.950 55.803 0.131 0.000 0.932 203 Q CB 1.554 30.352 28.738 0.100 0.000 1.207 203 Q HN 0.635 nan 8.270 nan 0.000 0.426 204 F N 2.291 122.241 119.950 -0.000 0.000 2.730 204 F HA 0.264 4.791 4.527 0.000 0.000 0.335 204 F C -0.770 175.058 175.800 0.046 0.000 1.212 204 F CA -1.036 56.971 58.000 0.013 0.000 1.016 204 F CB 1.171 40.154 39.000 -0.028 0.000 1.290 204 F HN 0.299 nan 8.300 nan 0.000 0.495 205 K N 8.108 128.262 120.400 -0.409 0.000 2.292 205 K HA 0.408 4.728 4.320 0.000 0.000 0.290 205 K C -0.310 175.945 176.600 -0.575 0.000 1.083 205 K CA -0.353 55.732 56.287 -0.337 0.000 0.918 205 K CB 0.464 32.847 32.500 -0.195 0.000 1.089 205 K HN 0.737 nan 8.250 nan 0.000 0.473 206 M N 1.872 121.277 119.600 -0.324 0.000 2.219 206 M HA 0.029 4.509 4.480 0.000 0.000 0.307 206 M C 0.406 176.632 176.300 -0.123 0.000 1.116 206 M CA 0.196 55.386 55.300 -0.184 0.000 1.181 206 M CB 0.259 32.928 32.600 0.114 0.000 1.410 206 M HN 0.606 nan 8.290 nan 0.000 0.454 207 E N 0.560 120.735 120.200 -0.041 0.000 2.328 207 E HA 0.171 4.521 4.350 0.000 0.000 0.265 207 E C 0.781 177.381 176.600 0.000 0.000 1.057 207 E CA 0.804 57.197 56.400 -0.013 0.000 0.916 207 E CB 0.125 29.844 29.700 0.032 0.000 0.993 207 E HN 0.876 nan 8.360 nan 0.000 0.446 208 G N 3.832 112.628 108.800 -0.007 0.000 2.157 208 G HA2 -0.257 3.704 3.960 0.000 0.000 0.239 208 G HA3 -0.257 3.704 3.960 0.000 0.000 0.239 208 G C -0.124 174.778 174.900 0.003 0.000 0.982 208 G CA 0.056 45.158 45.100 0.003 0.000 0.650 208 G HN 0.632 nan 8.290 nan 0.000 0.527 209 N N -0.726 117.970 118.700 -0.006 0.000 2.402 209 N HA 0.631 5.371 4.740 0.000 0.000 0.294 209 N C 0.811 176.315 175.510 -0.009 0.000 1.203 209 N CA -0.242 52.810 53.050 0.002 0.000 0.838 209 N CB 1.678 40.174 38.487 0.016 0.000 1.306 209 N HN 0.290 nan 8.380 nan 0.000 0.510 210 A N 0.171 122.992 122.820 0.001 0.000 2.390 210 A HA 0.145 4.465 4.320 0.000 0.000 0.232 210 A C 0.029 177.613 177.584 -0.001 0.000 1.233 210 A CA 0.451 52.486 52.037 -0.002 0.000 0.907 210 A CB 0.279 19.282 19.000 0.004 0.000 0.967 210 A HN 0.527 nan 8.150 nan 0.000 0.512 211 E N 0.414 120.617 120.200 0.005 0.000 2.277 211 E HA 0.411 4.761 4.350 0.000 0.000 0.266 211 E C -1.120 175.485 176.600 0.010 0.000 0.901 211 E CA -0.521 55.886 56.400 0.013 0.000 0.782 211 E CB 1.204 30.921 29.700 0.028 0.000 1.228 211 E HN 0.409 nan 8.360 nan 0.000 0.424 212 E N 0.633 120.842 120.200 0.016 0.000 2.331 212 E HA 0.272 4.622 4.350 0.000 0.000 0.272 212 E C -0.439 176.196 176.600 0.058 0.000 1.036 212 E CA -0.221 56.192 56.400 0.021 0.000 0.864 212 E CB 0.984 30.703 29.700 0.032 0.000 1.035 212 E HN 0.267 nan 8.360 nan 0.000 0.408 213 S N 1.169 116.923 115.700 0.091 0.000 2.632 213 S HA 0.259 4.729 4.470 0.000 0.000 0.267 213 S C -0.047 174.600 174.600 0.077 0.000 1.276 213 S CA -0.699 57.564 58.200 0.105 0.000 0.998 213 S CB 1.274 64.573 63.200 0.165 0.000 0.953 213 S HN 0.390 nan 8.310 nan 0.000 0.547 214 T N 2.470 117.045 114.554 0.035 0.000 2.788 214 T HA 0.489 4.839 4.350 0.000 0.000 0.296 214 T C -0.360 174.318 174.700 -0.037 0.000 1.009 214 T CA -0.418 61.693 62.100 0.017 0.000 0.949 214 T CB -0.095 68.770 68.868 -0.006 0.000 0.946 214 T HN 0.325 nan 8.240 nan 0.000 0.453 215 L N 3.062 124.272 121.223 -0.021 0.000 2.358 215 L HA 0.755 5.095 4.340 0.000 0.000 0.268 215 L C -0.697 176.242 176.870 0.116 0.000 1.032 215 L CA -1.221 53.558 54.840 -0.102 0.000 0.805 215 L CB 1.298 43.148 42.059 -0.349 0.000 1.253 215 L HN 0.550 nan 8.230 nan 0.000 0.452 216 F N 1.746 121.621 119.950 -0.126 0.000 2.579 216 F HA 0.525 5.052 4.527 0.000 0.000 0.325 216 F C -0.847 174.865 175.800 -0.146 0.000 1.162 216 F CA -0.977 56.910 58.000 -0.188 0.000 0.946 216 F CB 1.274 40.202 39.000 -0.121 0.000 1.211 216 F HN 0.482 nan 8.300 nan 0.000 0.447 217 C N 8.415 127.285 119.300 -0.717 0.000 2.456 217 C HA 0.929 5.389 4.460 0.000 0.000 0.325 217 C C -1.098 173.475 174.990 -0.696 0.000 1.217 217 C CA -0.556 58.088 59.018 -0.622 0.000 1.687 217 C CB -0.001 27.505 27.740 -0.390 0.000 2.270 217 C HN 0.857 nan 8.230 nan 0.000 0.499 218 F N 3.493 123.055 119.950 -0.647 0.000 2.654 218 F HA 0.860 5.387 4.527 0.000 0.000 0.308 218 F C -0.677 174.970 175.800 -0.255 0.000 1.108 218 F CA -0.557 57.165 58.000 -0.465 0.000 0.957 218 F CB 0.891 39.571 39.000 -0.534 0.000 1.309 218 F HN 0.843 nan 8.300 nan 0.000 0.446 219 A N 1.920 124.670 122.820 -0.117 0.000 2.454 219 A HA 0.939 5.260 4.320 0.000 0.000 0.302 219 A C -1.800 175.876 177.584 0.154 0.000 1.079 219 A CA -0.800 51.151 52.037 -0.144 0.000 0.731 219 A CB 1.913 20.821 19.000 -0.155 0.000 1.299 219 A HN 1.835 nan 8.150 nan 0.000 0.413 220 V N 1.233 121.236 119.914 0.148 0.000 3.204 220 V HA 0.641 4.761 4.120 0.000 0.000 0.298 220 V C -0.525 175.744 176.094 0.292 0.000 1.328 220 V CA -0.576 61.902 62.300 0.297 0.000 1.035 220 V CB 2.240 34.169 31.823 0.178 0.000 1.095 220 V HN 0.978 nan 8.190 nan 0.000 0.442 221 R N 2.154 122.900 120.500 0.411 0.000 2.629 221 R HA 0.366 4.706 4.340 0.000 0.000 0.386 221 R C 0.261 176.598 176.300 0.061 0.000 1.071 221 R CA 0.476 56.665 56.100 0.149 0.000 1.104 221 R CB 0.792 31.030 30.300 -0.104 0.000 1.370 221 R HN 0.892 nan 8.270 nan 0.000 0.574 222 G N -0.302 108.518 108.800 0.034 0.000 2.502 222 G HA2 -0.016 3.944 3.960 0.000 0.000 0.305 222 G HA3 -0.016 3.944 3.960 0.000 0.000 0.305 222 G C 0.462 175.360 174.900 -0.004 0.000 1.190 222 G CA -0.389 44.697 45.100 -0.024 0.000 0.933 222 G HN 0.259 nan 8.290 nan 0.000 0.503 223 Q N -0.188 119.607 119.800 -0.008 0.000 2.231 223 Q HA -0.341 3.999 4.340 0.000 0.000 0.217 223 Q C 2.432 178.437 176.000 0.008 0.000 1.013 223 Q CA 2.627 58.427 55.803 -0.005 0.000 0.917 223 Q CB -0.287 28.448 28.738 -0.005 0.000 0.968 223 Q HN 0.623 nan 8.270 nan 0.000 0.414 224 A N -0.687 122.147 122.820 0.023 0.000 2.167 224 A HA 0.354 4.674 4.320 0.000 0.000 0.214 224 A C 1.037 178.642 177.584 0.035 0.000 1.151 224 A CA 1.270 53.327 52.037 0.033 0.000 0.735 224 A CB -0.248 18.782 19.000 0.049 0.000 0.802 224 A HN 0.722 nan 8.150 nan 0.000 0.467 225 G N -2.046 106.772 108.800 0.030 0.000 2.416 225 G HA2 0.324 4.285 3.960 0.000 0.000 0.203 225 G HA3 0.324 4.285 3.960 0.000 0.000 0.203 225 G C 0.267 175.210 174.900 0.071 0.000 1.227 225 G CA -0.271 44.849 45.100 0.033 0.000 1.041 225 G HN 1.309 nan 8.290 nan 0.000 0.546 226 G N 0.321 109.207 108.800 0.144 0.000 2.370 226 G HA2 0.589 4.549 3.960 0.000 0.000 0.272 226 G HA3 0.589 4.549 3.960 0.000 0.000 0.272 226 G C -0.377 174.556 174.900 0.055 0.000 1.208 226 G CA 0.140 45.376 45.100 0.227 0.000 0.856 226 G HN 0.548 nan 8.290 nan 0.000 0.500 227 K N 1.031 121.390 120.400 -0.070 0.000 2.532 227 K HA 0.452 4.772 4.320 0.000 0.000 0.265 227 K C -1.620 174.643 176.600 -0.563 0.000 0.948 227 K CA -0.883 55.222 56.287 -0.304 0.000 0.842 227 K CB 2.802 35.131 32.500 -0.285 0.000 1.392 227 K HN 0.403 nan 8.250 nan 0.000 0.436 228 L N 1.747 122.496 121.223 -0.789 0.000 2.365 228 L HA 0.497 4.838 4.340 0.000 0.000 0.273 228 L C -1.232 174.984 176.870 -1.089 0.000 1.000 228 L CA -0.236 54.072 54.840 -0.887 0.000 0.819 228 L CB 1.262 42.802 42.059 -0.865 0.000 1.284 228 L HN 0.517 nan 8.230 nan 0.000 0.418 229 H N 5.967 124.572 119.070 -0.775 0.000 2.589 229 H HA 0.533 5.090 4.556 0.000 0.000 0.351 229 H C -1.076 173.936 175.328 -0.526 0.000 1.074 229 H CA -0.439 55.223 56.048 -0.644 0.000 1.203 229 H CB 2.092 31.335 29.762 -0.865 0.000 1.558 229 H HN 0.530 nan 8.280 nan 0.000 0.522 230 I N 5.405 125.866 120.570 -0.181 0.000 2.410 230 I HA 0.283 4.453 4.170 0.000 0.000 0.286 230 I C 0.067 176.183 176.117 -0.002 0.000 1.009 230 I CA -0.533 60.669 61.300 -0.164 0.000 1.111 230 I CB 1.365 39.279 38.000 -0.142 0.000 1.262 230 I HN 0.380 nan 8.210 nan 0.000 0.443 231 I N 2.496 123.052 120.570 -0.023 0.000 2.769 231 I HA 0.555 4.725 4.170 0.000 0.000 0.298 231 I C -0.795 175.317 176.117 -0.007 0.000 1.128 231 I CA -0.651 60.698 61.300 0.083 0.000 1.031 231 I CB 2.176 40.274 38.000 0.163 0.000 1.235 231 I HN 0.603 nan 8.210 nan 0.000 0.423 232 E N 3.096 123.315 120.200 0.030 0.000 2.383 232 E HA 0.409 4.759 4.350 0.000 0.000 0.264 232 E C -1.555 174.977 176.600 -0.113 0.000 1.050 232 E CA -0.457 55.922 56.400 -0.036 0.000 0.896 232 E CB 1.714 31.469 29.700 0.092 0.000 0.982 232 E HN 0.538 nan 8.360 nan 0.000 0.424 233 V N 4.844 124.592 119.914 -0.277 0.000 2.407 233 V HA 0.633 4.753 4.120 0.000 0.000 0.291 233 V C 0.327 176.108 176.094 -0.522 0.000 1.018 233 V CA 0.862 62.727 62.300 -0.725 0.000 0.842 233 V CB 0.578 31.678 31.823 -1.206 0.000 0.996 233 V HN 1.030 nan 8.190 nan 0.000 0.426 234 G N 5.021 113.778 108.800 -0.072 0.000 2.548 234 G HA2 -0.141 3.819 3.960 0.000 0.000 0.208 234 G HA3 -0.141 3.819 3.960 0.000 0.000 0.208 234 G C -0.161 174.867 174.900 0.212 0.000 1.308 234 G CA -0.220 45.163 45.100 0.471 0.000 0.924 234 G HN 0.766 nan 8.290 nan 0.000 0.540 235 T N 3.533 118.204 114.554 0.195 0.000 2.749 235 T HA 0.602 4.952 4.350 0.000 0.000 0.287 235 T C -1.940 172.823 174.700 0.105 0.000 0.970 235 T CA -0.329 61.844 62.100 0.122 0.000 0.980 235 T CB 1.258 70.182 68.868 0.093 0.000 0.924 235 T HN 0.580 nan 8.240 nan 0.000 0.456 236 P HA 0.108 nan 4.420 nan 0.000 0.264 236 P C -2.444 174.899 177.300 0.072 0.000 1.173 236 P CA -0.942 62.210 63.100 0.086 0.000 0.761 236 P CB -0.384 31.366 31.700 0.083 0.000 0.794 237 P HA -0.004 nan 4.420 nan 0.000 0.269 237 P C -0.342 176.986 177.300 0.046 0.000 1.211 237 P CA 0.297 63.430 63.100 0.054 0.000 0.781 237 P CB 0.092 31.821 31.700 0.048 0.000 0.877 238 T N 1.457 116.034 114.554 0.038 0.000 2.853 238 T HA 0.366 4.716 4.350 0.000 0.000 0.298 238 T C 1.311 176.029 174.700 0.030 0.000 0.978 238 T CA 0.988 63.108 62.100 0.033 0.000 1.152 238 T CB -0.244 68.640 68.868 0.027 0.000 0.914 238 T HN 0.823 nan 8.240 nan 0.000 0.539 239 G N 3.401 112.219 108.800 0.030 0.000 2.176 239 G HA2 -0.217 3.743 3.960 0.000 0.000 0.232 239 G HA3 -0.217 3.743 3.960 0.000 0.000 0.232 239 G C -0.052 174.866 174.900 0.030 0.000 0.986 239 G CA -0.527 44.589 45.100 0.027 0.000 0.643 239 G HN 0.723 nan 8.290 nan 0.000 0.522 240 N N 0.687 119.410 118.700 0.039 0.000 2.456 240 N HA 0.420 5.160 4.740 0.000 0.000 0.288 240 N C -0.120 175.422 175.510 0.052 0.000 1.059 240 N CA -0.747 52.331 53.050 0.047 0.000 0.946 240 N CB 0.699 39.222 38.487 0.060 0.000 1.150 240 N HN 0.027 nan 8.380 nan 0.000 0.479 241 Q N 2.163 121.994 119.800 0.052 0.000 2.394 241 Q HA 0.276 4.616 4.340 0.000 0.000 0.248 241 Q C -2.092 173.954 176.000 0.076 0.000 0.992 241 Q CA -1.316 54.517 55.803 0.050 0.000 0.888 241 Q CB 0.641 29.402 28.738 0.038 0.000 1.257 241 Q HN 0.437 nan 8.270 nan 0.000 0.462 242 P HA 0.155 nan 4.420 nan 0.000 0.279 242 P C -0.898 176.481 177.300 0.131 0.000 1.252 242 P CA -0.411 62.756 63.100 0.111 0.000 0.811 242 P CB 0.456 32.209 31.700 0.088 0.000 1.035 243 F N 3.049 123.039 119.950 0.067 0.000 2.413 243 F HA 0.348 4.875 4.527 0.000 0.000 0.359 243 F C -1.977 173.853 175.800 0.050 0.000 1.122 243 F CA -2.615 55.433 58.000 0.080 0.000 1.160 243 F CB 0.445 39.509 39.000 0.108 0.000 1.146 243 F HN 0.119 nan 8.300 nan 0.000 0.514 244 P HA -0.014 nan 4.420 nan 0.000 0.259 244 P C -1.116 176.119 177.300 -0.108 0.000 1.211 244 P CA -0.167 62.798 63.100 -0.224 0.000 0.810 244 P CB 0.184 31.718 31.700 -0.277 0.000 0.815 245 K N 2.715 123.195 120.400 0.132 0.000 2.586 245 K HA 0.006 4.327 4.320 0.000 0.000 0.280 245 K C -0.291 176.381 176.600 0.121 0.000 0.972 245 K CA 0.523 56.933 56.287 0.205 0.000 1.040 245 K CB 0.328 32.908 32.500 0.133 0.000 0.870 245 K HN 0.134 nan 8.250 nan 0.000 0.497 246 K N 1.152 121.644 120.400 0.154 0.000 2.340 246 K HA 0.747 5.067 4.320 0.000 0.000 0.244 246 K C -1.598 175.017 176.600 0.026 0.000 0.973 246 K CA -0.546 55.778 56.287 0.061 0.000 0.828 246 K CB 2.390 34.926 32.500 0.059 0.000 1.226 246 K HN 0.775 nan 8.250 nan 0.000 0.437 247 A N 1.263 124.068 122.820 -0.024 0.000 2.465 247 A HA 0.647 4.967 4.320 0.000 0.000 0.292 247 A C -1.604 175.887 177.584 -0.155 0.000 1.041 247 A CA -0.600 51.383 52.037 -0.089 0.000 0.718 247 A CB 1.091 20.152 19.000 0.102 0.000 1.266 247 A HN 0.339 nan 8.150 nan 0.000 0.403 248 V N 2.082 121.823 119.914 -0.288 0.000 2.962 248 V HA 0.523 4.643 4.120 0.000 0.000 0.313 248 V C -1.104 174.829 176.094 -0.269 0.000 1.099 248 V CA -0.763 61.398 62.300 -0.232 0.000 0.971 248 V CB 2.468 34.134 31.823 -0.263 0.000 1.028 248 V HN 1.025 nan 8.190 nan 0.000 0.430 249 D N 1.662 121.977 120.400 -0.141 0.000 2.253 249 D HA 0.467 5.107 4.640 0.000 0.000 0.249 249 D C -0.220 176.032 176.300 -0.080 0.000 1.049 249 D CA -0.440 53.497 54.000 -0.105 0.000 0.929 249 D CB 1.887 42.686 40.800 -0.002 0.000 1.176 249 D HN 0.479 nan 8.370 nan 0.000 0.437 250 V N 0.432 120.297 119.914 -0.082 0.000 2.347 250 V HA 0.500 4.620 4.120 0.000 0.000 0.280 250 V C -0.685 175.363 176.094 -0.076 0.000 1.021 250 V CA -1.066 61.180 62.300 -0.091 0.000 0.847 250 V CB 0.452 32.093 31.823 -0.304 0.000 0.990 250 V HN 0.493 nan 8.190 nan 0.000 0.444 251 F N 7.098 126.958 119.950 -0.151 0.000 2.506 251 F HA 0.637 5.164 4.527 0.000 0.000 0.351 251 F C -0.810 174.731 175.800 -0.431 0.000 1.136 251 F CA -0.390 57.528 58.000 -0.137 0.000 1.298 251 F CB 0.543 39.502 39.000 -0.068 0.000 1.145 251 F HN 0.543 nan 8.300 nan 0.000 0.593 252 F N 5.803 125.118 119.950 -1.058 0.000 2.557 252 F HA 0.397 4.924 4.527 0.000 0.000 0.316 252 F C -2.187 172.824 175.800 -1.314 0.000 1.141 252 F CA -1.822 55.622 58.000 -0.926 0.000 0.922 252 F CB 1.576 40.294 39.000 -0.469 0.000 1.194 252 F HN 0.338 nan 8.300 nan 0.000 0.443 253 P HA 0.281 nan 4.420 nan 0.000 0.278 253 P C -2.503 174.691 177.300 -0.177 0.000 1.266 253 P CA -1.598 61.221 63.100 -0.469 0.000 0.807 253 P CB 1.198 32.848 31.700 -0.083 0.000 1.094 254 P HA -0.196 nan 4.420 nan 0.000 0.216 254 P C 1.210 178.526 177.300 0.027 0.000 1.153 254 P CA 1.785 64.887 63.100 0.003 0.000 0.858 254 P CB -0.134 31.589 31.700 0.039 0.000 0.789 255 E N 0.022 120.254 120.200 0.053 0.000 2.153 255 E HA -0.067 4.283 4.350 0.000 0.000 0.194 255 E C 1.275 177.952 176.600 0.127 0.000 0.988 255 E CA 1.032 57.487 56.400 0.092 0.000 0.811 255 E CB -0.834 28.939 29.700 0.122 0.000 0.746 255 E HN 0.153 nan 8.360 nan 0.000 0.466 256 A N 2.514 125.384 122.820 0.083 0.000 3.063 256 A HA 0.009 4.329 4.320 0.000 0.000 0.263 256 A C 1.178 178.795 177.584 0.056 0.000 1.736 256 A CA -0.330 51.772 52.037 0.109 0.000 1.408 256 A CB -0.689 18.234 19.000 -0.128 0.000 1.108 256 A HN 0.258 nan 8.150 nan 0.000 0.621 257 Q N 1.659 121.536 119.800 0.128 0.000 1.861 257 Q HA -0.231 4.109 4.340 0.000 0.000 0.242 257 Q C 0.224 176.226 176.000 0.004 0.000 1.025 257 Q CA 1.635 57.485 55.803 0.078 0.000 0.886 257 Q CB -0.648 28.168 28.738 0.130 0.000 0.969 257 Q HN 0.762 nan 8.270 nan 0.000 0.418 258 N N 1.198 119.939 118.700 0.068 0.000 2.761 258 N HA 0.173 4.913 4.740 0.000 0.000 0.317 258 N C -1.217 174.143 175.510 -0.250 0.000 1.546 258 N CA -0.176 52.843 53.050 -0.051 0.000 1.015 258 N CB 0.509 39.028 38.487 0.052 0.000 1.343 258 N HN 0.176 nan 8.380 nan 0.000 0.504 259 D N 1.166 121.272 120.400 -0.489 0.000 2.377 259 D HA 0.488 5.128 4.640 0.000 0.000 0.245 259 D C -0.378 175.602 176.300 -0.533 0.000 1.196 259 D CA -0.048 53.466 54.000 -0.810 0.000 0.962 259 D CB 0.685 41.201 40.800 -0.474 0.000 1.127 259 D HN 0.307 nan 8.370 nan 0.000 0.471 260 F N -2.825 116.811 119.950 -0.524 0.000 2.725 260 F HA 0.478 5.005 4.527 0.000 0.000 0.309 260 F C -3.012 172.618 175.800 -0.284 0.000 1.132 260 F CA -2.117 55.566 58.000 -0.527 0.000 0.957 260 F CB 0.460 39.001 39.000 -0.765 0.000 1.286 260 F HN 0.051 nan 8.300 nan 0.000 0.440 261 P HA 0.147 nan 4.420 nan 0.000 0.266 261 P C 0.079 177.345 177.300 -0.057 0.000 1.193 261 P CA 0.153 63.249 63.100 -0.006 0.000 0.770 261 P CB 1.226 33.009 31.700 0.138 0.000 0.836 262 V N 1.205 121.108 119.914 -0.018 0.000 3.294 262 V HA 0.447 4.567 4.120 0.000 0.000 0.255 262 V C 0.093 176.248 176.094 0.101 0.000 1.528 262 V CA 0.985 63.296 62.300 0.020 0.000 1.086 262 V CB 0.635 32.406 31.823 -0.086 0.000 0.906 262 V HN 0.683 nan 8.190 nan 0.000 0.433 263 A N 0.579 123.455 122.820 0.095 0.000 2.574 263 A HA 0.893 5.213 4.320 0.000 0.000 0.297 263 A C -1.184 176.468 177.584 0.114 0.000 1.062 263 A CA -0.327 51.781 52.037 0.118 0.000 0.686 263 A CB 2.045 21.110 19.000 0.109 0.000 1.285 263 A HN 0.221 nan 8.150 nan 0.000 0.403 264 M N 1.478 121.149 119.600 0.120 0.000 2.433 264 M HA 0.596 5.076 4.480 0.000 0.000 0.290 264 M C -2.067 174.317 176.300 0.139 0.000 1.173 264 M CA -0.336 55.036 55.300 0.120 0.000 0.905 264 M CB 2.139 34.778 32.600 0.064 0.000 1.692 264 M HN 0.693 nan 8.290 nan 0.000 0.462 265 Q N 4.233 124.152 119.800 0.198 0.000 2.340 265 Q HA 0.564 4.904 4.340 0.000 0.000 0.276 265 Q C -1.675 174.502 176.000 0.294 0.000 1.048 265 Q CA -0.475 55.460 55.803 0.220 0.000 0.832 265 Q CB 2.992 31.855 28.738 0.209 0.000 1.373 265 Q HN 0.852 nan 8.270 nan 0.000 0.409 266 I N 0.784 121.481 120.570 0.212 0.000 2.441 266 I HA 0.276 4.446 4.170 0.000 0.000 0.295 266 I C 0.275 176.518 176.117 0.211 0.000 0.994 266 I CA -0.603 60.790 61.300 0.155 0.000 1.144 266 I CB 2.033 40.071 38.000 0.063 0.000 1.314 266 I HN 0.400 nan 8.210 nan 0.000 0.445 267 S N 3.825 119.651 115.700 0.210 0.000 2.439 267 S HA 0.160 4.630 4.470 0.000 0.000 0.282 267 S C 0.804 175.496 174.600 0.154 0.000 1.170 267 S CA -0.319 58.045 58.200 0.273 0.000 1.054 267 S CB 0.724 64.180 63.200 0.427 0.000 0.956 267 S HN 0.675 nan 8.310 nan 0.000 0.490 268 E N 3.843 124.114 120.200 0.119 0.000 2.216 268 E HA 0.009 4.360 4.350 0.000 0.000 0.192 268 E C 1.813 178.431 176.600 0.031 0.000 0.988 268 E CA 0.775 57.228 56.400 0.088 0.000 0.834 268 E CB 0.067 29.815 29.700 0.080 0.000 0.772 268 E HN 0.779 nan 8.360 nan 0.000 0.479 269 K N -0.794 119.578 120.400 -0.047 0.000 2.209 269 K HA -0.156 4.164 4.320 0.000 0.000 0.204 269 K C 0.709 177.055 176.600 -0.423 0.000 1.048 269 K CA 1.545 57.677 56.287 -0.259 0.000 0.940 269 K CB 0.024 32.300 32.500 -0.373 0.000 0.729 269 K HN 0.279 nan 8.250 nan 0.000 0.451 270 H N -0.759 118.368 119.070 0.096 0.000 3.170 270 H HA 0.180 4.736 4.556 0.000 0.000 0.264 270 H C -0.758 174.613 175.328 0.072 0.000 1.113 270 H CA 0.007 56.104 56.048 0.081 0.000 1.194 270 H CB 0.925 30.727 29.762 0.067 0.000 1.553 270 H HN 0.174 nan 8.280 nan 0.000 0.538 271 D N 0.987 121.479 120.400 0.153 0.000 2.705 271 D HA -0.135 4.505 4.640 0.000 0.000 0.240 271 D C -0.802 175.506 176.300 0.014 0.000 1.137 271 D CA 0.436 54.500 54.000 0.107 0.000 0.677 271 D CB -1.307 39.622 40.800 0.214 0.000 1.049 271 D HN 0.165 nan 8.370 nan 0.000 0.427 272 V N 0.538 120.422 119.914 -0.050 0.000 2.656 272 V HA 0.376 4.497 4.120 0.000 0.000 0.307 272 V C 0.390 176.279 176.094 -0.342 0.000 1.051 272 V CA -0.877 61.292 62.300 -0.218 0.000 0.893 272 V CB 2.580 34.197 31.823 -0.343 0.000 0.999 272 V HN -0.004 nan 8.190 nan 0.000 0.426 273 V N 5.499 125.253 119.914 -0.267 0.000 2.383 273 V HA 0.436 4.556 4.120 0.000 0.000 0.275 273 V C -0.523 175.440 176.094 -0.218 0.000 1.036 273 V CA -0.226 61.977 62.300 -0.161 0.000 0.889 273 V CB 1.086 32.894 31.823 -0.026 0.000 0.985 273 V HN 0.653 nan 8.190 nan 0.000 0.459 274 F N 5.733 125.733 119.950 0.084 0.000 2.385 274 F HA 0.574 5.101 4.527 0.000 0.000 0.360 274 F C -0.108 175.745 175.800 0.089 0.000 1.122 274 F CA -0.479 57.569 58.000 0.080 0.000 1.090 274 F CB 1.504 40.543 39.000 0.065 0.000 1.150 274 F HN 0.310 nan 8.300 nan 0.000 0.472 275 L N 5.668 127.055 121.223 0.274 0.000 2.333 275 L HA 0.644 4.984 4.340 0.000 0.000 0.280 275 L C -1.041 175.947 176.870 0.196 0.000 1.004 275 L CA -0.301 54.649 54.840 0.184 0.000 0.820 275 L CB 1.041 43.164 42.059 0.106 0.000 1.247 275 L HN 0.488 nan 8.230 nan 0.000 0.416 276 I N 4.141 124.797 120.570 0.143 0.000 2.378 276 I HA 0.397 4.567 4.170 0.000 0.000 0.291 276 I C 0.363 176.530 176.117 0.082 0.000 0.992 276 I CA -0.476 60.901 61.300 0.130 0.000 1.154 276 I CB 2.085 40.139 38.000 0.091 0.000 1.315 276 I HN 0.726 nan 8.210 nan 0.000 0.448 277 T N 1.540 116.161 114.554 0.111 0.000 2.881 277 T HA 0.254 4.604 4.350 0.000 0.000 0.278 277 T C 0.947 175.597 174.700 -0.083 0.000 0.982 277 T CA -0.641 61.469 62.100 0.016 0.000 0.989 277 T CB 1.689 70.636 68.868 0.132 0.000 1.058 277 T HN 0.503 nan 8.240 nan 0.000 0.529 278 K N -0.118 120.048 120.400 -0.391 0.000 2.103 278 K HA -0.056 4.264 4.320 0.000 0.000 0.207 278 K C 1.242 177.938 176.600 0.160 0.000 1.048 278 K CA 1.548 57.599 56.287 -0.394 0.000 0.930 278 K CB -0.763 31.092 32.500 -1.075 0.000 0.716 278 K HN 0.813 nan 8.250 nan 0.000 0.444 279 Y N -0.687 119.617 120.300 0.008 0.000 2.537 279 Y HA 0.168 4.718 4.550 0.000 0.000 0.303 279 Y C 1.061 177.031 175.900 0.117 0.000 1.176 279 Y CA -0.405 57.764 58.100 0.114 0.000 1.273 279 Y CB 0.302 38.889 38.460 0.211 0.000 1.110 279 Y HN 0.340 nan 8.280 nan 0.000 0.518 280 G N -0.319 108.617 108.800 0.228 0.000 2.143 280 G HA2 -0.322 3.639 3.960 0.000 0.000 0.249 280 G HA3 -0.322 3.639 3.960 0.000 0.000 0.249 280 G C -0.372 174.521 174.900 -0.013 0.000 0.981 280 G CA -0.390 44.748 45.100 0.064 0.000 0.665 280 G HN 0.368 nan 8.290 nan 0.000 0.528 281 Y N -0.829 119.485 120.300 0.023 0.000 2.307 281 Y HA 0.688 5.238 4.550 0.000 0.000 0.324 281 Y C 0.678 176.578 175.900 0.000 0.000 1.238 281 Y CA -0.532 57.549 58.100 -0.032 0.000 1.280 281 Y CB 1.192 39.635 38.460 -0.028 0.000 1.248 281 Y HN 0.253 nan 8.280 nan 0.000 0.508 282 I N 2.512 123.132 120.570 0.085 0.000 2.582 282 I HA 0.391 4.561 4.170 0.000 0.000 0.292 282 I C -1.175 174.960 176.117 0.031 0.000 1.066 282 I CA -0.254 61.116 61.300 0.116 0.000 1.053 282 I CB 1.034 39.055 38.000 0.035 0.000 1.241 282 I HN 0.635 nan 8.210 nan 0.000 0.421 283 H N 6.987 126.049 119.070 -0.014 0.000 2.690 283 H HA 0.571 5.128 4.556 0.000 0.000 0.368 283 H C -1.289 173.916 175.328 -0.205 0.000 1.150 283 H CA -1.115 54.815 56.048 -0.196 0.000 1.174 283 H CB 2.261 31.819 29.762 -0.339 0.000 1.684 283 H HN 0.296 nan 8.280 nan 0.000 0.538 284 L N 2.988 124.066 121.223 -0.242 0.000 2.362 284 L HA 0.392 4.732 4.340 0.000 0.000 0.275 284 L C -1.280 175.292 176.870 -0.497 0.000 0.998 284 L CA -0.682 53.993 54.840 -0.275 0.000 0.820 284 L CB 1.404 43.373 42.059 -0.150 0.000 1.270 284 L HN 0.566 nan 8.230 nan 0.000 0.415 285 Y N 0.207 120.438 120.300 -0.116 0.000 2.462 285 Y HA 0.222 4.772 4.550 0.000 0.000 0.346 285 Y C 0.097 175.922 175.900 -0.126 0.000 0.976 285 Y CA -0.915 57.124 58.100 -0.101 0.000 1.044 285 Y CB 2.019 40.405 38.460 -0.123 0.000 1.230 285 Y HN 0.498 nan 8.280 nan 0.000 0.455 286 D N 2.292 122.733 120.400 0.069 0.000 2.371 286 D HA -0.009 4.631 4.640 0.000 0.000 0.256 286 D C 0.679 176.966 176.300 -0.023 0.000 1.193 286 D CA 0.028 54.037 54.000 0.015 0.000 0.881 286 D CB 1.225 42.045 40.800 0.033 0.000 1.143 286 D HN 0.556 nan 8.370 nan 0.000 0.473 287 L N 4.364 125.533 121.223 -0.090 0.000 2.079 287 L HA -0.107 4.234 4.340 0.000 0.000 0.210 287 L C 1.897 178.604 176.870 -0.272 0.000 1.081 287 L CA 1.978 56.697 54.840 -0.202 0.000 0.752 287 L CB -0.564 41.331 42.059 -0.272 0.000 0.896 287 L HN 0.745 nan 8.230 nan 0.000 0.433 288 E N -1.617 118.437 120.200 -0.244 0.000 2.158 288 E HA -0.156 4.194 4.350 0.000 0.000 0.191 288 E C 1.652 178.286 176.600 0.057 0.000 0.982 288 E CA 1.414 57.741 56.400 -0.121 0.000 0.823 288 E CB -0.045 29.666 29.700 0.019 0.000 0.766 288 E HN 0.613 nan 8.360 nan 0.000 0.468 289 T N -4.354 110.211 114.554 0.018 0.000 2.969 289 T HA 0.337 4.687 4.350 0.000 0.000 0.250 289 T C 1.470 176.169 174.700 -0.002 0.000 1.021 289 T CA 0.628 62.733 62.100 0.007 0.000 1.003 289 T CB 0.724 69.599 68.868 0.011 0.000 1.040 289 T HN 0.337 nan 8.240 nan 0.000 0.492 290 G N 1.495 110.293 108.800 -0.004 0.000 2.159 290 G HA2 -0.242 3.718 3.960 0.000 0.000 0.256 290 G HA3 -0.242 3.718 3.960 0.000 0.000 0.256 290 G C 0.168 175.104 174.900 0.059 0.000 0.977 290 G CA 0.210 45.291 45.100 -0.031 0.000 0.652 290 G HN 0.765 nan 8.290 nan 0.000 0.531 291 T N 0.497 115.096 114.554 0.074 0.000 2.928 291 T HA 0.309 4.659 4.350 0.000 0.000 0.305 291 T C 0.833 175.636 174.700 0.171 0.000 1.035 291 T CA 0.592 62.748 62.100 0.093 0.000 1.145 291 T CB 1.435 70.333 68.868 0.051 0.000 0.963 291 T HN 0.732 nan 8.240 nan 0.000 0.545 292 C N 5.224 124.626 119.300 0.170 0.000 2.373 292 C HA 0.408 4.868 4.460 0.000 0.000 0.354 292 C C 1.676 176.648 174.990 -0.030 0.000 1.249 292 C CA -0.635 58.402 59.018 0.033 0.000 1.784 292 C CB -2.078 25.691 27.740 0.049 0.000 2.408 292 C HN 0.958 nan 8.230 nan 0.000 0.542 293 I N 3.745 124.270 120.570 -0.074 0.000 2.731 293 I HA 0.177 4.347 4.170 0.000 0.000 0.260 293 I C -0.076 176.153 176.117 0.186 0.000 1.138 293 I CA 0.538 61.880 61.300 0.070 0.000 1.461 293 I CB -0.016 38.010 38.000 0.043 0.000 1.128 293 I HN 0.682 nan 8.210 nan 0.000 0.438 294 Y N 0.363 120.574 120.300 -0.147 0.000 2.521 294 Y HA 0.585 5.135 4.550 0.000 0.000 0.328 294 Y C -1.378 174.390 175.900 -0.220 0.000 1.151 294 Y CA -1.344 56.665 58.100 -0.152 0.000 1.054 294 Y CB 1.369 39.686 38.460 -0.238 0.000 1.338 294 Y HN -0.205 nan 8.280 nan 0.000 0.453 295 M N 4.521 123.614 119.600 -0.845 0.000 2.501 295 M HA 0.471 4.952 4.480 0.000 0.000 0.293 295 M C -1.372 174.427 176.300 -0.835 0.000 1.192 295 M CA -0.682 54.179 55.300 -0.732 0.000 0.886 295 M CB 2.599 34.859 32.600 -0.566 0.000 1.710 295 M HN 0.752 nan 8.290 nan 0.000 0.457 296 N N 0.736 119.142 118.700 -0.491 0.000 3.501 296 N HA 0.382 5.122 4.740 0.000 0.000 0.235 296 N C -2.146 173.221 175.510 -0.239 0.000 1.442 296 N CA -0.717 52.141 53.050 -0.321 0.000 0.872 296 N CB 2.095 40.405 38.487 -0.295 0.000 1.414 296 N HN 0.730 nan 8.380 nan 0.000 0.485 297 R N 1.431 121.738 120.500 -0.321 0.000 2.437 297 R HA 0.544 4.884 4.340 0.000 0.000 0.310 297 R C 0.858 176.920 176.300 -0.396 0.000 0.955 297 R CA -0.343 55.445 56.100 -0.520 0.000 0.851 297 R CB 0.534 30.317 30.300 -0.862 0.000 1.161 297 R HN 0.656 nan 8.270 nan 0.000 0.446 298 I N -0.823 119.502 120.570 -0.408 0.000 4.139 298 I HA 0.358 4.528 4.170 0.000 0.000 0.320 298 I C 0.195 176.168 176.117 -0.240 0.000 1.290 298 I CA -0.300 60.676 61.300 -0.540 0.000 1.253 298 I CB 1.073 38.502 38.000 -0.953 0.000 1.122 298 I HN 0.307 nan 8.210 nan 0.000 0.421 299 S N 0.150 115.752 115.700 -0.163 0.000 2.569 299 S HA 0.721 5.191 4.470 0.000 0.000 0.280 299 S C 0.389 174.949 174.600 -0.067 0.000 1.111 299 S CA -0.071 58.103 58.200 -0.043 0.000 0.887 299 S CB 1.800 65.009 63.200 0.016 0.000 1.095 299 S HN 0.303 nan 8.310 nan 0.000 0.476 300 G N 1.460 110.244 108.800 -0.026 0.000 2.651 300 G HA2 0.214 4.174 3.960 0.000 0.000 0.207 300 G HA3 0.214 4.174 3.960 0.000 0.000 0.207 300 G C 0.208 175.104 174.900 -0.007 0.000 1.131 300 G CA -0.000 45.077 45.100 -0.038 0.000 0.816 300 G HN 0.612 nan 8.290 nan 0.000 0.534 301 E N 0.421 120.636 120.200 0.026 0.000 2.342 301 E HA 0.254 4.604 4.350 0.000 0.000 0.257 301 E C -0.479 176.177 176.600 0.094 0.000 1.150 301 E CA -0.072 56.363 56.400 0.058 0.000 0.926 301 E CB 1.053 30.800 29.700 0.079 0.000 1.074 301 E HN -0.014 nan 8.360 nan 0.000 0.449 302 T N 0.946 115.583 114.554 0.137 0.000 2.856 302 T HA 0.316 4.667 4.350 0.000 0.000 0.292 302 T C 0.167 174.987 174.700 0.200 0.000 0.980 302 T CA -0.495 61.706 62.100 0.168 0.000 1.091 302 T CB 0.001 68.981 68.868 0.187 0.000 0.936 302 T HN 0.208 nan 8.240 nan 0.000 0.503 303 I N 7.372 128.018 120.570 0.126 0.000 2.260 303 I HA 0.176 4.347 4.170 0.000 0.000 0.297 303 I C 0.798 176.949 176.117 0.057 0.000 1.143 303 I CA -0.336 60.988 61.300 0.041 0.000 1.271 303 I CB 0.200 38.206 38.000 0.011 0.000 1.461 303 I HN 0.714 nan 8.210 nan 0.000 0.530 304 F N 5.938 125.965 119.950 0.128 0.000 2.804 304 F HA 0.466 4.993 4.527 0.000 0.000 0.303 304 F C 0.130 176.073 175.800 0.238 0.000 1.154 304 F CA -0.298 57.811 58.000 0.180 0.000 1.401 304 F CB -0.175 38.951 39.000 0.209 0.000 1.106 304 F HN 0.165 nan 8.300 nan 0.000 0.568 305 V N 0.308 120.041 119.914 -0.302 0.000 3.036 305 V HA 0.650 4.770 4.120 0.000 0.000 0.288 305 V C -0.862 175.164 176.094 -0.113 0.000 1.407 305 V CA 0.340 62.574 62.300 -0.111 0.000 0.983 305 V CB 1.879 33.599 31.823 -0.171 0.000 1.128 305 V HN 0.548 nan 8.190 nan 0.000 0.439 306 T N 2.666 117.221 114.554 0.002 0.000 2.754 306 T HA 1.022 5.372 4.350 0.000 0.000 0.296 306 T C -0.505 174.217 174.700 0.036 0.000 1.205 306 T CA -0.208 61.891 62.100 -0.001 0.000 1.009 306 T CB 1.659 70.539 68.868 0.019 0.000 1.368 306 T HN 2.511 nan 8.240 nan 0.000 0.509 307 A N 0.715 123.551 122.820 0.027 0.000 2.586 307 A HA 0.857 5.177 4.320 0.000 0.000 0.291 307 A C -3.262 174.350 177.584 0.047 0.000 1.062 307 A CA -1.405 50.663 52.037 0.051 0.000 0.666 307 A CB 0.766 19.789 19.000 0.038 0.000 1.281 307 A HN 0.764 nan 8.150 nan 0.000 0.421 308 P HA 0.266 nan 4.420 nan 0.000 0.275 308 P C -1.007 176.334 177.300 0.068 0.000 1.228 308 P CA 0.315 63.460 63.100 0.075 0.000 0.786 308 P CB 0.485 32.239 31.700 0.091 0.000 0.927 309 H N 2.571 121.606 119.070 -0.057 0.000 2.787 309 H HA 0.117 4.674 4.556 0.000 0.000 0.275 309 H C 1.158 176.463 175.328 -0.038 0.000 1.183 309 H CA -0.033 55.963 56.048 -0.086 0.000 1.290 309 H CB 0.277 29.965 29.762 -0.125 0.000 1.438 309 H HN 0.246 nan 8.280 nan 0.000 0.487 310 E N 3.783 123.826 120.200 -0.262 0.000 2.058 310 E HA -0.186 4.164 4.350 0.000 0.000 0.194 310 E C 2.091 178.542 176.600 -0.249 0.000 0.997 310 E CA 1.292 57.576 56.400 -0.193 0.000 0.801 310 E CB -0.547 29.066 29.700 -0.146 0.000 0.746 310 E HN 0.744 nan 8.360 nan 0.000 0.450 311 A N 0.969 123.519 122.820 -0.451 0.000 1.948 311 A HA -0.183 4.137 4.320 0.000 0.000 0.220 311 A C 2.316 179.822 177.584 -0.129 0.000 1.177 311 A CA 2.721 54.586 52.037 -0.287 0.000 0.636 311 A CB -0.686 18.135 19.000 -0.299 0.000 0.815 311 A HN 0.415 nan 8.150 nan 0.000 0.449 312 T N -5.714 108.785 114.554 -0.092 0.000 3.010 312 T HA 0.516 4.866 4.350 0.000 0.000 0.257 312 T C 0.726 175.544 174.700 0.197 0.000 1.020 312 T CA 1.031 63.215 62.100 0.140 0.000 0.938 312 T CB 0.084 69.132 68.868 0.300 0.000 1.049 312 T HN 1.879 nan 8.240 nan 0.000 0.522 313 A N -0.114 122.785 122.820 0.132 0.000 2.734 313 A HA 0.235 4.556 4.320 0.000 0.000 0.296 313 A C 0.789 178.559 177.584 0.310 0.000 1.474 313 A CA 0.777 52.938 52.037 0.207 0.000 0.735 313 A CB -1.834 17.310 19.000 0.239 0.000 1.062 313 A HN 1.347 nan 8.150 nan 0.000 0.463 314 G N -1.452 107.445 108.800 0.161 0.000 3.247 314 G HA2 0.736 4.696 3.960 0.000 0.000 0.226 314 G HA3 0.736 4.696 3.960 0.000 0.000 0.226 314 G C -0.435 174.282 174.900 -0.305 0.000 1.220 314 G CA -0.113 44.879 45.100 -0.181 0.000 0.875 314 G HN 1.263 nan 8.290 nan 0.000 0.606 315 I N 0.112 120.344 120.570 -0.563 0.000 2.545 315 I HA 0.701 4.872 4.170 0.000 0.000 0.292 315 I C -1.424 174.553 176.117 -0.234 0.000 1.040 315 I CA -1.200 59.909 61.300 -0.319 0.000 1.068 315 I CB 1.864 39.640 38.000 -0.372 0.000 1.251 315 I HN 0.425 nan 8.210 nan 0.000 0.424 316 I N 6.721 127.202 120.570 -0.148 0.000 2.545 316 I HA 0.784 4.954 4.170 0.000 0.000 0.292 316 I C -0.537 175.515 176.117 -0.108 0.000 1.040 316 I CA -0.208 60.981 61.300 -0.186 0.000 1.068 316 I CB 1.730 39.566 38.000 -0.273 0.000 1.251 316 I HN 0.710 nan 8.210 nan 0.000 0.424 317 G N 5.619 114.363 108.800 -0.094 0.000 2.727 317 G HA2 0.670 4.630 3.960 0.000 0.000 0.289 317 G HA3 0.670 4.630 3.960 0.000 0.000 0.289 317 G C -1.962 172.864 174.900 -0.122 0.000 1.418 317 G CA -0.477 44.559 45.100 -0.106 0.000 0.818 317 G HN 0.437 nan 8.290 nan 0.000 0.486 318 V N 1.276 121.044 119.914 -0.243 0.000 2.656 318 V HA 0.527 4.647 4.120 0.000 0.000 0.307 318 V C -0.576 175.352 176.094 -0.276 0.000 1.051 318 V CA -1.025 61.137 62.300 -0.229 0.000 0.893 318 V CB 1.640 33.296 31.823 -0.279 0.000 0.999 318 V HN 1.015 nan 8.190 nan 0.000 0.426 319 N N 3.501 122.203 118.700 0.003 0.000 2.741 319 N HA 0.420 5.160 4.740 0.000 0.000 0.310 319 N C 0.656 176.379 175.510 0.356 0.000 1.295 319 N CA -1.016 52.132 53.050 0.164 0.000 0.893 319 N CB 0.825 39.387 38.487 0.125 0.000 1.247 319 N HN 0.363 nan 8.380 nan 0.000 0.596 320 R N -0.665 120.033 120.500 0.330 0.000 2.159 320 R HA -0.004 4.336 4.340 0.000 0.000 0.237 320 R C 0.893 177.288 176.300 0.158 0.000 1.131 320 R CA 1.021 57.266 56.100 0.241 0.000 0.982 320 R CB -0.106 30.282 30.300 0.146 0.000 0.868 320 R HN 0.523 nan 8.270 nan 0.000 0.453 321 K N -0.880 119.598 120.400 0.130 0.000 2.366 321 K HA 0.062 4.382 4.320 0.000 0.000 0.198 321 K C 1.284 177.941 176.600 0.094 0.000 1.044 321 K CA 1.040 57.381 56.287 0.090 0.000 0.973 321 K CB 0.352 32.891 32.500 0.066 0.000 0.767 321 K HN 0.393 nan 8.250 nan 0.000 0.475 322 G N 1.527 110.404 108.800 0.127 0.000 2.148 322 G HA2 -0.229 3.731 3.960 0.000 0.000 0.203 322 G HA3 -0.229 3.731 3.960 0.000 0.000 0.203 322 G C -0.335 174.613 174.900 0.080 0.000 0.993 322 G CA -0.396 44.774 45.100 0.116 0.000 0.661 322 G HN 0.329 nan 8.290 nan 0.000 0.518 323 Q N 0.196 120.039 119.800 0.072 0.000 2.296 323 Q HA 0.460 4.800 4.340 0.000 0.000 0.262 323 Q C -0.011 176.015 176.000 0.043 0.000 0.981 323 Q CA -0.186 55.644 55.803 0.045 0.000 0.905 323 Q CB 2.139 30.905 28.738 0.047 0.000 1.186 323 Q HN 0.158 nan 8.270 nan 0.000 0.399 324 V N 6.026 125.965 119.914 0.040 0.000 2.304 324 V HA 0.227 4.347 4.120 0.000 0.000 0.262 324 V C 0.022 176.175 176.094 0.099 0.000 1.061 324 V CA -0.160 62.167 62.300 0.045 0.000 0.872 324 V CB -0.011 31.844 31.823 0.053 0.000 1.077 324 V HN 0.579 nan 8.190 nan 0.000 0.480 325 L N 3.783 125.059 121.223 0.088 0.000 2.387 325 L HA 0.850 5.190 4.340 0.000 0.000 0.266 325 L C 0.296 177.238 176.870 0.119 0.000 1.059 325 L CA -0.213 54.710 54.840 0.139 0.000 0.801 325 L CB 1.849 44.051 42.059 0.238 0.000 1.223 325 L HN 0.653 nan 8.230 nan 0.000 0.456 326 S N 0.232 116.018 115.700 0.143 0.000 2.537 326 S HA 0.785 5.255 4.470 0.000 0.000 0.270 326 S C -1.347 173.285 174.600 0.054 0.000 1.142 326 S CA -0.624 57.568 58.200 -0.013 0.000 0.870 326 S CB 1.871 65.002 63.200 -0.116 0.000 1.112 326 S HN 0.290 nan 8.310 nan 0.000 0.466 327 V N 2.096 121.948 119.914 -0.104 0.000 2.876 327 V HA 0.898 5.018 4.120 0.000 0.000 0.312 327 V C 0.105 176.041 176.094 -0.264 0.000 1.085 327 V CA -0.300 61.939 62.300 -0.101 0.000 0.945 327 V CB 1.250 33.004 31.823 -0.115 0.000 1.017 327 V HN 1.646 nan 8.190 nan 0.000 0.428 328 C N 1.440 120.681 119.300 -0.098 0.000 3.306 328 C HA 0.794 5.254 4.460 0.000 0.000 0.335 328 C C -0.698 174.331 174.990 0.064 0.000 1.382 328 C CA -0.740 58.273 59.018 -0.008 0.000 1.254 328 C CB 0.911 28.670 27.740 0.031 0.000 1.555 328 C HN 0.650 nan 8.230 nan 0.000 0.463 329 V N 2.101 122.044 119.914 0.048 0.000 2.614 329 V HA 0.396 4.516 4.120 0.000 0.000 0.291 329 V C 0.335 176.342 176.094 -0.146 0.000 1.049 329 V CA 0.756 62.975 62.300 -0.135 0.000 1.038 329 V CB 1.254 32.829 31.823 -0.414 0.000 0.980 329 V HN 0.940 nan 8.190 nan 0.000 0.481 330 E N 3.438 123.555 120.200 -0.139 0.000 2.014 330 E HA 0.166 4.516 4.350 0.000 0.000 0.275 330 E C 0.843 177.397 176.600 -0.077 0.000 0.997 330 E CA -0.001 56.346 56.400 -0.090 0.000 0.804 330 E CB 0.694 30.337 29.700 -0.095 0.000 1.090 330 E HN 0.648 nan 8.360 nan 0.000 0.401 331 E N 2.997 123.168 120.200 -0.048 0.000 2.333 331 E HA -0.179 4.171 4.350 0.000 0.000 0.200 331 E C 0.581 177.195 176.600 0.023 0.000 1.010 331 E CA 0.845 57.247 56.400 0.003 0.000 0.841 331 E CB 0.341 30.090 29.700 0.082 0.000 0.757 331 E HN 0.559 nan 8.360 nan 0.000 0.508 332 E N -0.192 120.014 120.200 0.011 0.000 2.472 332 E HA 0.038 4.388 4.350 0.000 0.000 0.196 332 E C 0.804 177.413 176.600 0.015 0.000 1.033 332 E CA 0.150 56.562 56.400 0.019 0.000 0.886 332 E CB 0.397 30.106 29.700 0.016 0.000 0.944 332 E HN 0.216 nan 8.360 nan 0.000 0.492 333 N N 0.370 119.068 118.700 -0.003 0.000 2.397 333 N HA 0.072 4.812 4.740 0.000 0.000 0.190 333 N C 1.752 177.280 175.510 0.030 0.000 1.099 333 N CA -0.030 53.022 53.050 0.003 0.000 0.876 333 N CB 0.418 38.884 38.487 -0.035 0.000 1.143 333 N HN 0.088 nan 8.380 nan 0.000 0.468 334 I N 1.198 121.769 120.570 0.001 0.000 2.127 334 I HA -0.222 3.948 4.170 0.000 0.000 0.241 334 I C 1.507 177.689 176.117 0.108 0.000 1.075 334 I CA 1.124 62.446 61.300 0.037 0.000 1.334 334 I CB 0.069 38.053 38.000 -0.027 0.000 1.040 334 I HN -0.086 nan 8.210 nan 0.000 0.405 335 I N 1.327 121.944 120.570 0.079 0.000 2.163 335 I HA -0.182 3.988 4.170 0.000 0.000 0.243 335 I C -0.239 175.915 176.117 0.060 0.000 1.085 335 I CA 1.863 63.208 61.300 0.075 0.000 1.347 335 I CB -3.186 34.861 38.000 0.079 0.000 1.044 335 I HN 0.222 nan 8.210 nan 0.000 0.408 336 P HA -0.199 nan 4.420 nan 0.000 0.218 336 P C 1.938 179.271 177.300 0.055 0.000 1.149 336 P CA 1.345 64.470 63.100 0.042 0.000 0.817 336 P CB -0.251 31.476 31.700 0.045 0.000 0.785 337 Y N 0.323 120.610 120.300 -0.021 0.000 2.200 337 Y HA -0.148 4.402 4.550 0.000 0.000 0.290 337 Y C 2.045 177.936 175.900 -0.014 0.000 1.137 337 Y CA 1.433 59.520 58.100 -0.021 0.000 1.163 337 Y CB -0.867 37.571 38.460 -0.037 0.000 0.988 337 Y HN -0.193 nan 8.280 nan 0.000 0.518 338 I N -0.713 119.858 120.570 0.001 0.000 2.163 338 I HA -0.298 3.873 4.170 0.000 0.000 0.240 338 I C 2.270 178.310 176.117 -0.129 0.000 1.081 338 I CA 1.657 62.908 61.300 -0.082 0.000 1.353 338 I CB -0.801 37.224 38.000 0.042 0.000 1.054 338 I HN 0.183 nan 8.210 nan 0.000 0.407 339 T N 1.188 115.697 114.554 -0.076 0.000 2.555 339 T HA -0.183 4.167 4.350 0.000 0.000 0.264 339 T C 1.724 176.358 174.700 -0.109 0.000 1.083 339 T CA 1.912 63.964 62.100 -0.080 0.000 1.179 339 T CB -0.362 68.471 68.868 -0.059 0.000 0.863 339 T HN 0.314 nan 8.240 nan 0.000 0.412 340 N N 0.571 119.203 118.700 -0.113 0.000 2.173 340 N HA -0.012 4.728 4.740 0.000 0.000 0.184 340 N C 2.089 177.489 175.510 -0.182 0.000 1.025 340 N CA 0.900 53.879 53.050 -0.118 0.000 0.852 340 N CB -0.503 37.940 38.487 -0.073 0.000 0.998 340 N HN 0.216 nan 8.380 nan 0.000 0.427 341 V N 1.765 121.484 119.914 -0.324 0.000 2.379 341 V HA -0.002 4.118 4.120 0.000 0.000 0.243 341 V C 2.384 178.239 176.094 -0.399 0.000 1.035 341 V CA 0.881 62.940 62.300 -0.403 0.000 1.035 341 V CB -0.345 31.116 31.823 -0.605 0.000 0.673 341 V HN 0.193 nan 8.190 nan 0.000 0.457 342 L N -0.269 120.652 121.223 -0.503 0.000 2.313 342 L HA -0.024 4.316 4.340 0.000 0.000 0.214 342 L C 1.287 178.053 176.870 -0.173 0.000 1.119 342 L CA 0.765 55.425 54.840 -0.299 0.000 0.809 342 L CB -0.371 41.532 42.059 -0.260 0.000 0.933 342 L HN 0.522 nan 8.230 nan 0.000 0.449 343 Q N -0.623 119.078 119.800 -0.165 0.000 2.481 343 Q HA -0.246 4.094 4.340 0.000 0.000 0.258 343 Q C 0.006 175.956 176.000 -0.084 0.000 0.961 343 Q CA 0.668 56.405 55.803 -0.110 0.000 1.121 343 Q CB -2.251 26.431 28.738 -0.093 0.000 1.503 343 Q HN 0.413 nan 8.270 nan 0.000 0.544 344 N N 0.680 119.331 118.700 -0.082 0.000 2.955 344 N HA 0.227 4.967 4.740 0.000 0.000 0.242 344 N C -2.068 173.411 175.510 -0.051 0.000 1.123 344 N CA -2.174 50.843 53.050 -0.056 0.000 0.949 344 N CB 1.118 39.578 38.487 -0.044 0.000 1.214 344 N HN -0.107 nan 8.380 nan 0.000 0.504 345 P HA 0.037 nan 4.420 nan 0.000 0.225 345 P C 0.519 177.782 177.300 -0.061 0.000 1.156 345 P CA 0.713 63.773 63.100 -0.067 0.000 0.787 345 P CB 0.626 32.279 31.700 -0.078 0.000 0.802 346 D N -0.341 120.035 120.400 -0.041 0.000 2.103 346 D HA -0.107 4.533 4.640 0.000 0.000 0.199 346 D C 1.885 178.184 176.300 -0.001 0.000 0.978 346 D CA 0.904 54.889 54.000 -0.024 0.000 0.829 346 D CB -0.569 40.223 40.800 -0.014 0.000 0.981 346 D HN 0.060 nan 8.370 nan 0.000 0.464 347 L N 1.503 122.728 121.223 0.003 0.000 2.046 347 L HA -0.094 4.247 4.340 0.000 0.000 0.208 347 L C 2.216 179.107 176.870 0.036 0.000 1.077 347 L CA 1.680 56.536 54.840 0.026 0.000 0.747 347 L CB -0.872 41.200 42.059 0.022 0.000 0.896 347 L HN -0.059 nan 8.230 nan 0.000 0.432 348 A N -0.508 122.319 122.820 0.012 0.000 1.908 348 A HA -0.191 4.130 4.320 0.000 0.000 0.218 348 A C 2.294 179.895 177.584 0.027 0.000 1.181 348 A CA 2.133 54.179 52.037 0.016 0.000 0.627 348 A CB -0.906 18.081 19.000 -0.021 0.000 0.818 348 A HN 0.514 nan 8.150 nan 0.000 0.445 349 L N -1.378 119.832 121.223 -0.023 0.000 2.156 349 L HA -0.125 4.215 4.340 0.000 0.000 0.208 349 L C 2.745 179.719 176.870 0.172 0.000 1.095 349 L CA 1.442 56.273 54.840 -0.014 0.000 0.770 349 L CB -0.364 41.595 42.059 -0.166 0.000 0.914 349 L HN 0.411 nan 8.230 nan 0.000 0.439 350 R N 0.837 121.408 120.500 0.118 0.000 2.062 350 R HA -0.172 4.168 4.340 0.000 0.000 0.231 350 R C 2.261 178.654 176.300 0.154 0.000 1.136 350 R CA 1.867 58.051 56.100 0.140 0.000 0.948 350 R CB -0.612 29.752 30.300 0.108 0.000 0.845 350 R HN 0.192 nan 8.270 nan 0.000 0.430 351 M N -0.118 119.564 119.600 0.136 0.000 2.108 351 M HA -0.104 4.376 4.480 0.000 0.000 0.261 351 M C 1.984 178.380 176.300 0.160 0.000 1.066 351 M CA 2.278 57.663 55.300 0.142 0.000 1.107 351 M CB -0.250 32.420 32.600 0.117 0.000 1.356 351 M HN 0.267 nan 8.290 nan 0.000 0.406 352 A N -0.538 122.391 122.820 0.183 0.000 1.865 352 A HA -0.137 4.183 4.320 0.000 0.000 0.217 352 A C 2.093 179.800 177.584 0.204 0.000 1.191 352 A CA 2.149 54.319 52.037 0.222 0.000 0.623 352 A CB -1.275 17.916 19.000 0.318 0.000 0.826 352 A HN 0.410 nan 8.150 nan 0.000 0.444 353 V N 0.128 120.187 119.914 0.242 0.000 2.307 353 V HA -0.244 3.876 4.120 0.000 0.000 0.245 353 V C 2.684 178.832 176.094 0.091 0.000 1.045 353 V CA 2.269 64.642 62.300 0.122 0.000 1.024 353 V CB -0.819 31.093 31.823 0.147 0.000 0.651 353 V HN 0.703 nan 8.190 nan 0.000 0.449 354 R N 0.718 121.288 120.500 0.117 0.000 2.096 354 R HA -0.208 4.132 4.340 0.000 0.000 0.240 354 R C 1.416 177.767 176.300 0.084 0.000 1.139 354 R CA 2.551 58.710 56.100 0.098 0.000 0.952 354 R CB -0.249 30.133 30.300 0.137 0.000 0.854 354 R HN 0.614 nan 8.270 nan 0.000 0.436 355 N N 0.420 119.185 118.700 0.107 0.000 2.238 355 N HA 0.010 4.750 4.740 0.000 0.000 0.222 355 N C -0.845 174.714 175.510 0.082 0.000 1.133 355 N CA 0.031 53.138 53.050 0.094 0.000 0.854 355 N CB 0.539 39.112 38.487 0.143 0.000 1.041 355 N HN 0.263 nan 8.380 nan 0.000 0.510 356 N N 1.234 119.975 118.700 0.069 0.000 2.666 356 N HA -0.198 4.542 4.740 0.000 0.000 0.274 356 N C -1.499 174.053 175.510 0.070 0.000 1.043 356 N CA 0.635 53.714 53.050 0.048 0.000 0.782 356 N CB -0.890 37.608 38.487 0.018 0.000 0.912 356 N HN 0.294 nan 8.380 nan 0.000 0.556 357 L N 0.412 121.697 121.223 0.104 0.000 2.346 357 L HA 0.798 5.138 4.340 0.000 0.000 0.274 357 L C 1.009 177.949 176.870 0.117 0.000 1.007 357 L CA -0.966 53.943 54.840 0.115 0.000 0.818 357 L CB 1.705 43.849 42.059 0.141 0.000 1.284 357 L HN 0.323 nan 8.230 nan 0.000 0.424 358 A N 1.327 124.203 122.820 0.093 0.000 2.429 358 A HA 0.534 4.854 4.320 0.000 0.000 0.242 358 A C 1.151 178.796 177.584 0.101 0.000 1.088 358 A CA 0.803 52.894 52.037 0.090 0.000 0.784 358 A CB 0.005 19.042 19.000 0.062 0.000 1.038 358 A HN 1.167 nan 8.150 nan 0.000 0.501 359 G N -1.666 107.193 108.800 0.098 0.000 2.231 359 G HA2 0.191 4.151 3.960 0.000 0.000 0.206 359 G HA3 0.191 4.151 3.960 0.000 0.000 0.206 359 G C 0.571 175.516 174.900 0.076 0.000 0.996 359 G CA 0.668 45.816 45.100 0.079 0.000 0.645 359 G HN 2.087 nan 8.290 nan 0.000 0.498 360 A N 0.034 122.934 122.820 0.132 0.000 2.606 360 A HA 0.664 4.984 4.320 0.000 0.000 0.290 360 A C 1.272 178.920 177.584 0.106 0.000 1.174 360 A CA 1.152 53.205 52.037 0.027 0.000 0.958 360 A CB 0.100 19.021 19.000 -0.132 0.000 1.194 360 A HN 0.290 nan 8.150 nan 0.000 0.526 361 E N 0.532 120.853 120.200 0.201 0.000 2.114 361 E HA -0.256 4.094 4.350 0.000 0.000 0.199 361 E C 1.709 178.389 176.600 0.133 0.000 1.008 361 E CA 1.758 58.289 56.400 0.219 0.000 0.810 361 E CB -0.063 29.706 29.700 0.114 0.000 0.739 361 E HN 0.785 nan 8.360 nan 0.000 0.456 362 E N 0.224 120.451 120.200 0.046 0.000 2.152 362 E HA -0.121 4.230 4.350 0.000 0.000 0.192 362 E C 1.843 178.434 176.600 -0.015 0.000 0.983 362 E CA 0.494 56.902 56.400 0.013 0.000 0.818 362 E CB 0.062 29.758 29.700 -0.007 0.000 0.758 362 E HN 0.275 nan 8.360 nan 0.000 0.467 363 L N -0.243 120.925 121.223 -0.092 0.000 2.156 363 L HA -0.079 4.261 4.340 0.000 0.000 0.208 363 L C 2.133 178.893 176.870 -0.183 0.000 1.095 363 L CA 0.749 55.480 54.840 -0.182 0.000 0.770 363 L CB -0.348 41.514 42.059 -0.328 0.000 0.914 363 L HN 0.178 nan 8.230 nan 0.000 0.439 364 F N 0.049 120.021 119.950 0.037 0.000 2.163 364 F HA -0.110 4.417 4.527 0.000 0.000 0.297 364 F C 2.654 178.497 175.800 0.072 0.000 1.094 364 F CA 0.800 58.835 58.000 0.057 0.000 1.290 364 F CB -0.256 38.768 39.000 0.041 0.000 1.017 364 F HN -0.001 nan 8.300 nan 0.000 0.483 365 A N 0.282 123.225 122.820 0.205 0.000 1.858 365 A HA -0.199 4.121 4.320 0.000 0.000 0.216 365 A C 2.196 179.871 177.584 0.152 0.000 1.190 365 A CA 1.538 53.642 52.037 0.112 0.000 0.617 365 A CB -0.838 18.181 19.000 0.032 0.000 0.827 365 A HN 0.245 nan 8.150 nan 0.000 0.443 366 R N -0.443 120.114 120.500 0.095 0.000 2.133 366 R HA -0.236 4.104 4.340 0.000 0.000 0.245 366 R C 2.414 178.777 176.300 0.104 0.000 1.137 366 R CA 2.249 58.392 56.100 0.071 0.000 0.947 366 R CB -0.279 30.032 30.300 0.020 0.000 0.865 366 R HN 0.612 nan 8.270 nan 0.000 0.437 367 K N -0.549 119.924 120.400 0.122 0.000 2.097 367 K HA -0.179 4.141 4.320 0.000 0.000 0.205 367 K C 1.983 178.702 176.600 0.198 0.000 1.050 367 K CA 1.450 57.818 56.287 0.135 0.000 0.938 367 K CB -0.204 32.381 32.500 0.142 0.000 0.718 367 K HN 0.102 nan 8.250 nan 0.000 0.442 368 F N 2.307 122.321 119.950 0.107 0.000 2.039 368 F HA -0.231 4.296 4.527 0.000 0.000 0.294 368 F C 1.896 177.756 175.800 0.099 0.000 1.130 368 F CA 1.689 59.752 58.000 0.106 0.000 1.189 368 F CB -0.432 38.601 39.000 0.055 0.000 0.983 368 F HN 0.094 nan 8.300 nan 0.000 0.471 369 N N 1.098 120.034 118.700 0.394 0.000 2.060 369 N HA -0.274 4.467 4.740 0.000 0.000 0.195 369 N C 1.951 177.534 175.510 0.121 0.000 1.028 369 N CA 1.814 54.999 53.050 0.224 0.000 0.861 369 N CB -1.115 37.462 38.487 0.150 0.000 1.029 369 N HN 0.480 nan 8.380 nan 0.000 0.428 370 A N 1.417 124.290 122.820 0.087 0.000 1.883 370 A HA -0.084 4.236 4.320 0.000 0.000 0.217 370 A C 2.454 180.041 177.584 0.006 0.000 1.186 370 A CA 1.122 53.185 52.037 0.043 0.000 0.624 370 A CB -0.793 18.226 19.000 0.032 0.000 0.822 370 A HN 0.246 nan 8.150 nan 0.000 0.444 371 L N -2.456 118.754 121.223 -0.021 0.000 2.093 371 L HA -0.138 4.203 4.340 0.000 0.000 0.208 371 L C 2.501 179.285 176.870 -0.143 0.000 1.085 371 L CA 1.398 56.185 54.840 -0.088 0.000 0.755 371 L CB -0.621 41.383 42.059 -0.092 0.000 0.904 371 L HN 0.439 nan 8.230 nan 0.000 0.435 372 F N 1.029 120.817 119.950 -0.271 0.000 2.069 372 F HA -0.275 4.253 4.527 0.000 0.000 0.298 372 F C 2.577 178.319 175.800 -0.097 0.000 1.113 372 F CA 1.516 59.398 58.000 -0.196 0.000 1.214 372 F CB -0.275 38.577 39.000 -0.247 0.000 0.978 372 F HN 0.008 nan 8.300 nan 0.000 0.474 373 A N -0.147 122.762 122.820 0.148 0.000 1.892 373 A HA -0.295 4.025 4.320 0.000 0.000 0.218 373 A C 1.990 179.537 177.584 -0.061 0.000 1.188 373 A CA 2.052 54.136 52.037 0.078 0.000 0.631 373 A CB -0.994 18.046 19.000 0.067 0.000 0.822 373 A HN 0.634 nan 8.150 nan 0.000 0.447 374 Q N -1.538 118.193 119.800 -0.115 0.000 2.515 374 Q HA 0.213 4.554 4.340 0.000 0.000 0.212 374 Q C 1.194 177.012 176.000 -0.302 0.000 0.970 374 Q CA 0.452 56.157 55.803 -0.164 0.000 0.941 374 Q CB -0.167 28.491 28.738 -0.134 0.000 0.998 374 Q HN 0.986 nan 8.270 nan 0.000 0.518 375 G N 2.025 110.510 108.800 -0.526 0.000 2.157 375 G HA2 -0.333 3.627 3.960 0.000 0.000 0.248 375 G HA3 -0.333 3.627 3.960 0.000 0.000 0.248 375 G C 0.058 174.379 174.900 -0.964 0.000 0.979 375 G CA 0.245 44.789 45.100 -0.927 0.000 0.650 375 G HN 0.499 nan 8.290 nan 0.000 0.529 376 N N 0.145 118.475 118.700 -0.618 0.000 3.303 376 N HA 0.383 5.123 4.740 0.000 0.000 0.304 376 N C 1.399 176.710 175.510 -0.332 0.000 1.302 376 N CA -0.505 52.312 53.050 -0.389 0.000 1.213 376 N CB -0.259 38.103 38.487 -0.207 0.000 1.481 376 N HN 0.516 nan 8.380 nan 0.000 0.546 377 Y N -0.593 119.613 120.300 -0.156 0.000 2.465 377 Y HA -0.230 4.321 4.550 0.000 0.000 0.289 377 Y C 2.525 178.404 175.900 -0.036 0.000 1.150 377 Y CA 0.557 58.598 58.100 -0.099 0.000 1.293 377 Y CB 0.096 38.485 38.460 -0.119 0.000 0.977 377 Y HN 0.484 nan 8.280 nan 0.000 0.556 378 S N -0.821 114.917 115.700 0.064 0.000 2.421 378 S HA -0.101 4.369 4.470 0.000 0.000 0.224 378 S C 1.732 176.370 174.600 0.064 0.000 1.035 378 S CA 0.739 58.967 58.200 0.048 0.000 0.953 378 S CB -0.116 63.096 63.200 0.020 0.000 0.810 378 S HN 0.230 nan 8.310 nan 0.000 0.497 379 E N 2.599 122.820 120.200 0.034 0.000 2.072 379 E HA 0.155 4.505 4.350 0.000 0.000 0.191 379 E C 2.125 178.780 176.600 0.092 0.000 0.985 379 E CA 1.368 57.798 56.400 0.049 0.000 0.801 379 E CB -0.912 28.794 29.700 0.010 0.000 0.750 379 E HN 0.536 nan 8.360 nan 0.000 0.452 380 A N 0.639 123.495 122.820 0.060 0.000 1.986 380 A HA -0.160 4.160 4.320 0.000 0.000 0.220 380 A C 2.339 180.111 177.584 0.313 0.000 1.171 380 A CA 2.305 54.358 52.037 0.027 0.000 0.640 380 A CB -0.781 18.148 19.000 -0.119 0.000 0.811 380 A HN 0.329 nan 8.150 nan 0.000 0.451 381 A N -1.031 122.021 122.820 0.387 0.000 2.072 381 A HA 0.051 4.371 4.320 0.000 0.000 0.216 381 A C 2.021 179.840 177.584 0.391 0.000 1.156 381 A CA 1.455 53.794 52.037 0.503 0.000 0.701 381 A CB -0.277 18.855 19.000 0.220 0.000 0.816 381 A HN 0.541 nan 8.150 nan 0.000 0.458 382 K N 0.035 120.583 120.400 0.246 0.000 2.001 382 K HA -0.090 4.230 4.320 0.000 0.000 0.208 382 K C 1.808 178.531 176.600 0.206 0.000 1.048 382 K CA 1.657 58.050 56.287 0.176 0.000 0.932 382 K CB -0.297 32.277 32.500 0.124 0.000 0.715 382 K HN 0.188 nan 8.250 nan 0.000 0.437 383 V N 1.443 121.505 119.914 0.246 0.000 2.282 383 V HA -0.306 3.814 4.120 0.000 0.000 0.249 383 V C 2.434 178.679 176.094 0.251 0.000 1.057 383 V CA 2.211 64.670 62.300 0.264 0.000 1.032 383 V CB -0.852 31.182 31.823 0.352 0.000 0.645 383 V HN 0.520 nan 8.190 nan 0.000 0.447 384 A N -0.432 122.629 122.820 0.402 0.000 1.968 384 A HA 0.070 4.390 4.320 0.000 0.000 0.217 384 A C 2.313 180.063 177.584 0.276 0.000 1.169 384 A CA 1.664 53.879 52.037 0.298 0.000 0.638 384 A CB -0.551 18.661 19.000 0.353 0.000 0.812 384 A HN 0.586 nan 8.150 nan 0.000 0.446 385 A N -0.448 122.556 122.820 0.307 0.000 2.067 385 A HA -0.030 4.291 4.320 0.000 0.000 0.217 385 A C 1.700 179.315 177.584 0.052 0.000 1.156 385 A CA 1.279 53.411 52.037 0.159 0.000 0.683 385 A CB -0.224 18.832 19.000 0.094 0.000 0.808 385 A HN 0.517 nan 8.150 nan 0.000 0.455 386 N N -0.386 118.333 118.700 0.030 0.000 2.227 386 N HA 0.190 4.930 4.740 0.000 0.000 0.196 386 N C 0.560 175.969 175.510 -0.168 0.000 1.142 386 N CA 0.631 53.659 53.050 -0.037 0.000 0.887 386 N CB 0.089 38.578 38.487 0.003 0.000 1.022 386 N HN 0.353 nan 8.380 nan 0.000 0.500 387 A N 3.674 126.316 122.820 -0.298 0.000 2.546 387 A HA 0.159 4.479 4.320 0.000 0.000 0.243 387 A C -1.970 175.364 177.584 -0.416 0.000 1.063 387 A CA -0.605 50.985 52.037 -0.746 0.000 0.757 387 A CB -0.357 18.201 19.000 -0.738 0.000 0.991 387 A HN 0.036 nan 8.150 nan 0.000 0.503 388 P HA 0.015 nan 4.420 nan 0.000 0.266 388 P C -0.441 176.804 177.300 -0.092 0.000 1.195 388 P CA 0.157 63.167 63.100 -0.150 0.000 0.768 388 P CB 0.418 32.080 31.700 -0.063 0.000 0.838 389 K N 1.119 121.491 120.400 -0.046 0.000 3.160 389 K HA -0.209 4.112 4.320 0.000 0.000 0.280 389 K C 0.925 177.504 176.600 -0.035 0.000 1.154 389 K CA 0.971 57.242 56.287 -0.026 0.000 0.822 389 K CB -2.903 29.592 32.500 -0.008 0.000 1.239 389 K HN 1.020 nan 8.250 nan 0.000 0.489 390 G N 1.153 109.925 108.800 -0.047 0.000 2.249 390 G HA2 -0.350 3.610 3.960 0.000 0.000 0.273 390 G HA3 -0.350 3.610 3.960 0.000 0.000 0.273 390 G C 0.727 175.596 174.900 -0.052 0.000 1.036 390 G CA 0.355 45.432 45.100 -0.037 0.000 0.824 390 G HN 0.494 nan 8.290 nan 0.000 0.504 391 I N -0.799 119.725 120.570 -0.077 0.000 2.286 391 I HA -0.041 4.129 4.170 0.000 0.000 0.248 391 I C 2.087 178.142 176.117 -0.103 0.000 1.115 391 I CA 1.637 62.892 61.300 -0.076 0.000 1.392 391 I CB 0.040 38.009 38.000 -0.053 0.000 1.065 391 I HN 0.387 nan 8.210 nan 0.000 0.418 392 L N 0.560 121.709 121.223 -0.122 0.000 2.667 392 L HA 0.164 4.504 4.340 0.000 0.000 0.232 392 L C 0.702 177.508 176.870 -0.106 0.000 1.138 392 L CA -0.159 54.567 54.840 -0.189 0.000 0.921 392 L CB -0.135 41.759 42.059 -0.275 0.000 1.180 392 L HN -0.033 nan 8.230 nan 0.000 0.487 393 R N 2.043 122.532 120.500 -0.019 0.000 4.556 393 R HA 0.126 4.466 4.340 0.000 0.000 0.197 393 R C 0.337 176.648 176.300 0.019 0.000 1.791 393 R CA 0.067 56.213 56.100 0.077 0.000 1.526 393 R CB -0.617 29.725 30.300 0.070 0.000 1.410 393 R HN 0.240 nan 8.270 nan 0.000 0.826 394 T N -3.490 111.031 114.554 -0.054 0.000 2.927 394 T HA 0.457 4.807 4.350 0.000 0.000 0.286 394 T C -2.109 172.479 174.700 -0.186 0.000 1.040 394 T CA -1.963 60.056 62.100 -0.135 0.000 1.010 394 T CB 2.496 71.254 68.868 -0.184 0.000 1.177 394 T HN -0.123 nan 8.240 nan 0.000 0.546 395 P HA 0.092 nan 4.420 nan 0.000 0.220 395 P C 0.567 177.706 177.300 -0.270 0.000 1.152 395 P CA 0.696 63.428 63.100 -0.614 0.000 0.812 395 P CB -0.102 30.850 31.700 -1.246 0.000 0.792 396 D N -1.085 119.155 120.400 -0.266 0.000 2.158 396 D HA -0.152 4.488 4.640 0.000 0.000 0.197 396 D C 1.698 177.828 176.300 -0.284 0.000 0.995 396 D CA 1.530 55.390 54.000 -0.233 0.000 0.846 396 D CB -1.274 39.381 40.800 -0.242 0.000 0.941 396 D HN 0.144 nan 8.370 nan 0.000 0.456 397 T N 0.441 114.794 114.554 -0.335 0.000 2.777 397 T HA -0.038 4.312 4.350 0.000 0.000 0.266 397 T C 2.068 176.553 174.700 -0.359 0.000 1.040 397 T CA 0.471 62.272 62.100 -0.498 0.000 1.141 397 T CB -0.209 68.329 68.868 -0.550 0.000 0.868 397 T HN 0.174 nan 8.240 nan 0.000 0.444 398 I N 0.859 121.378 120.570 -0.085 0.000 2.163 398 I HA -0.219 3.951 4.170 0.000 0.000 0.243 398 I C 2.764 178.950 176.117 0.114 0.000 1.085 398 I CA 1.484 62.866 61.300 0.137 0.000 1.347 398 I CB -0.414 37.843 38.000 0.428 0.000 1.044 398 I HN 0.171 nan 8.210 nan 0.000 0.408 399 R N 0.009 120.537 120.500 0.047 0.000 2.148 399 R HA -0.083 4.258 4.340 0.000 0.000 0.227 399 R C 2.368 178.640 176.300 -0.047 0.000 1.103 399 R CA 0.649 56.767 56.100 0.031 0.000 0.983 399 R CB -0.120 30.183 30.300 0.006 0.000 0.874 399 R HN 0.269 nan 8.270 nan 0.000 0.451 400 R N -0.251 120.127 120.500 -0.203 0.000 2.115 400 R HA -0.001 4.339 4.340 0.000 0.000 0.226 400 R C 1.915 178.175 176.300 -0.067 0.000 1.100 400 R CA 1.202 57.087 56.100 -0.357 0.000 0.980 400 R CB -0.341 29.490 30.300 -0.781 0.000 0.875 400 R HN 0.266 nan 8.270 nan 0.000 0.445 401 F N 1.091 121.077 119.950 0.060 0.000 2.234 401 F HA -0.074 4.454 4.527 0.000 0.000 0.296 401 F C 2.351 178.149 175.800 -0.003 0.000 1.089 401 F CA 0.566 58.599 58.000 0.054 0.000 1.343 401 F CB 0.014 38.964 39.000 -0.083 0.000 1.040 401 F HN 0.026 nan 8.300 nan 0.000 0.498 402 Q N -0.246 119.669 119.800 0.192 0.000 2.437 402 Q HA -0.118 4.222 4.340 0.000 0.000 0.210 402 Q C 1.935 177.989 176.000 0.089 0.000 0.972 402 Q CA 1.150 57.028 55.803 0.126 0.000 0.903 402 Q CB -0.160 28.652 28.738 0.123 0.000 0.967 402 Q HN 0.303 nan 8.270 nan 0.000 0.486 403 S N -0.060 115.698 115.700 0.097 0.000 2.470 403 S HA 0.012 4.482 4.470 0.000 0.000 0.225 403 S C 0.772 175.414 174.600 0.069 0.000 1.006 403 S CA -0.022 58.228 58.200 0.085 0.000 0.934 403 S CB 0.280 63.543 63.200 0.105 0.000 0.778 403 S HN 0.069 nan 8.310 nan 0.000 0.517 404 V N 4.727 124.661 119.914 0.033 0.000 2.450 404 V HA 0.122 4.242 4.120 0.000 0.000 0.281 404 V C -2.127 173.945 176.094 -0.038 0.000 1.019 404 V CA -1.487 60.762 62.300 -0.086 0.000 1.062 404 V CB -0.539 31.046 31.823 -0.396 0.000 0.979 404 V HN 0.189 nan 8.190 nan 0.000 0.477 405 P HA 0.225 nan 4.420 nan 0.000 0.267 405 P C 0.107 177.409 177.300 0.004 0.000 1.200 405 P CA 0.102 63.209 63.100 0.011 0.000 0.772 405 P CB 0.499 32.213 31.700 0.023 0.000 0.855 406 A N 2.254 125.081 122.820 0.011 0.000 2.325 406 A HA 0.397 4.717 4.320 0.000 0.000 0.260 406 A C 0.092 177.686 177.584 0.016 0.000 1.133 406 A CA 0.393 52.437 52.037 0.012 0.000 0.801 406 A CB 0.007 19.017 19.000 0.017 0.000 1.092 406 A HN 0.493 nan 8.150 nan 0.000 0.504 407 Q N -0.250 119.561 119.800 0.017 0.000 2.821 407 Q HA 0.261 4.601 4.340 0.000 0.000 0.217 407 Q C -2.889 173.121 176.000 0.017 0.000 0.775 407 Q CA -1.874 53.940 55.803 0.019 0.000 0.930 407 Q CB 0.818 29.570 28.738 0.024 0.000 1.511 407 Q HN 0.451 nan 8.270 nan 0.000 0.457 408 P HA -0.026 nan 4.420 nan 0.000 0.255 408 P C 0.884 178.192 177.300 0.014 0.000 1.132 408 P CA 2.327 65.436 63.100 0.014 0.000 0.766 408 P CB 0.075 31.782 31.700 0.012 0.000 0.715 409 G N 2.740 111.548 108.800 0.014 0.000 2.729 409 G HA2 -0.226 3.734 3.960 0.000 0.000 0.216 409 G HA3 -0.226 3.734 3.960 0.000 0.000 0.216 409 G C -0.132 174.778 174.900 0.015 0.000 1.252 409 G CA -0.392 44.716 45.100 0.013 0.000 0.751 409 G HN 0.546 nan 8.290 nan 0.000 0.527 410 Q N 2.410 122.220 119.800 0.017 0.000 2.311 410 Q HA 0.540 4.880 4.340 0.000 0.000 0.272 410 Q C 0.323 176.335 176.000 0.019 0.000 1.012 410 Q CA 0.532 56.347 55.803 0.019 0.000 0.891 410 Q CB 0.649 29.402 28.738 0.024 0.000 1.201 410 Q HN 0.435 nan 8.270 nan 0.000 0.391 411 T N 1.274 115.839 114.554 0.019 0.000 2.856 411 T HA 0.284 4.634 4.350 0.000 0.000 0.292 411 T C 0.185 174.889 174.700 0.006 0.000 0.980 411 T CA -0.690 61.421 62.100 0.018 0.000 1.091 411 T CB 0.567 69.447 68.868 0.020 0.000 0.936 411 T HN 0.656 nan 8.240 nan 0.000 0.503 412 S N 3.598 119.299 115.700 0.003 0.000 2.558 412 S HA 0.046 4.516 4.470 0.000 0.000 0.291 412 S C -1.798 172.753 174.600 -0.081 0.000 1.306 412 S CA -0.910 57.273 58.200 -0.027 0.000 1.056 412 S CB 0.324 63.521 63.200 -0.004 0.000 0.836 412 S HN 0.385 nan 8.310 nan 0.000 0.504 413 P HA -0.031 nan 4.420 nan 0.000 0.222 413 P C 1.349 178.329 177.300 -0.532 0.000 1.147 413 P CA 0.299 63.236 63.100 -0.270 0.000 0.790 413 P CB 0.032 31.555 31.700 -0.296 0.000 0.780 414 L N -1.215 119.813 121.223 -0.325 0.000 2.068 414 L HA -0.037 4.303 4.340 0.000 0.000 0.204 414 L C 2.016 178.736 176.870 -0.250 0.000 1.076 414 L CA 1.654 56.278 54.840 -0.360 0.000 0.753 414 L CB -1.234 40.770 42.059 -0.091 0.000 0.910 414 L HN -0.164 nan 8.230 nan 0.000 0.439 415 L N -0.273 120.935 121.223 -0.025 0.000 2.083 415 L HA -0.192 4.148 4.340 0.000 0.000 0.209 415 L C 2.577 179.471 176.870 0.040 0.000 1.083 415 L CA 1.556 56.468 54.840 0.121 0.000 0.752 415 L CB -1.434 40.693 42.059 0.113 0.000 0.899 415 L HN 0.495 nan 8.230 nan 0.000 0.433 416 Q N -1.453 118.312 119.800 -0.058 0.000 2.002 416 Q HA -0.285 4.055 4.340 0.000 0.000 0.204 416 Q C 2.163 178.118 176.000 -0.074 0.000 0.988 416 Q CA 2.155 57.920 55.803 -0.063 0.000 0.843 416 Q CB -0.486 28.192 28.738 -0.100 0.000 0.908 416 Q HN 0.451 nan 8.270 nan 0.000 0.420 417 Y N 0.703 120.784 120.300 -0.364 0.000 2.030 417 Y HA -0.277 4.273 4.550 0.000 0.000 0.274 417 Y C 1.868 177.675 175.900 -0.156 0.000 1.153 417 Y CA 1.748 59.627 58.100 -0.367 0.000 1.115 417 Y CB -0.861 37.138 38.460 -0.768 0.000 0.969 417 Y HN 0.062 nan 8.280 nan 0.000 0.488 418 F N 0.151 119.975 119.950 -0.209 0.000 2.287 418 F HA -0.205 4.322 4.527 0.000 0.000 0.301 418 F C 2.491 178.159 175.800 -0.219 0.000 1.069 418 F CA 0.479 58.314 58.000 -0.275 0.000 1.372 418 F CB -0.620 38.288 39.000 -0.154 0.000 1.056 418 F HN 0.265 nan 8.300 nan 0.000 0.523 419 G N 0.727 109.551 108.800 0.040 0.000 2.434 419 G HA2 -0.204 3.756 3.960 0.000 0.000 0.214 419 G HA3 -0.204 3.756 3.960 0.000 0.000 0.214 419 G C 1.605 176.492 174.900 -0.023 0.000 1.202 419 G CA 0.772 45.886 45.100 0.023 0.000 0.788 419 G HN 0.294 nan 8.290 nan 0.000 0.539 420 I N 0.661 121.199 120.570 -0.052 0.000 2.145 420 I HA -0.225 3.945 4.170 0.000 0.000 0.244 420 I C 2.801 178.863 176.117 -0.092 0.000 1.075 420 I CA 0.947 62.212 61.300 -0.058 0.000 1.332 420 I CB -0.308 37.662 38.000 -0.050 0.000 1.033 420 I HN 0.153 nan 8.210 nan 0.000 0.410 421 L N 0.095 121.213 121.223 -0.174 0.000 1.994 421 L HA -0.239 4.101 4.340 0.000 0.000 0.208 421 L C 2.592 179.396 176.870 -0.111 0.000 1.071 421 L CA 1.467 56.206 54.840 -0.168 0.000 0.745 421 L CB -0.681 41.237 42.059 -0.234 0.000 0.892 421 L HN 0.268 nan 8.230 nan 0.000 0.431 422 L N -0.298 120.857 121.223 -0.113 0.000 2.189 422 L HA -0.257 4.083 4.340 0.000 0.000 0.214 422 L C 2.187 179.034 176.870 -0.040 0.000 1.097 422 L CA 1.010 55.787 54.840 -0.106 0.000 0.764 422 L CB -0.504 41.486 42.059 -0.116 0.000 0.900 422 L HN 0.354 nan 8.230 nan 0.000 0.436 423 D N -0.642 119.742 120.400 -0.027 0.000 2.146 423 D HA -0.185 4.455 4.640 0.000 0.000 0.209 423 D C 2.100 178.391 176.300 -0.015 0.000 0.973 423 D CA 1.298 55.293 54.000 -0.007 0.000 0.860 423 D CB -0.352 40.447 40.800 -0.002 0.000 1.015 423 D HN 0.457 nan 8.370 nan 0.000 0.465 424 Q N 0.596 120.380 119.800 -0.027 0.000 2.297 424 Q HA -0.016 4.324 4.340 0.000 0.000 0.208 424 Q C 0.926 176.910 176.000 -0.027 0.000 0.981 424 Q CA 1.657 57.445 55.803 -0.025 0.000 0.876 424 Q CB 0.204 28.924 28.738 -0.029 0.000 0.921 424 Q HN 0.252 nan 8.270 nan 0.000 0.446 425 G N 0.069 108.848 108.800 -0.036 0.000 2.601 425 G HA2 0.012 3.972 3.960 0.000 0.000 0.080 425 G HA3 0.012 3.972 3.960 0.000 0.000 0.080 425 G C -1.686 173.186 174.900 -0.047 0.000 1.046 425 G CA -0.166 44.915 45.100 -0.032 0.000 1.143 425 G HN 0.441 nan 8.290 nan 0.000 0.507 426 Q N -0.199 119.572 119.800 -0.048 0.000 2.306 426 Q HA 0.825 5.165 4.340 0.000 0.000 0.269 426 Q C -1.033 174.923 176.000 -0.073 0.000 1.053 426 Q CA -0.804 54.961 55.803 -0.062 0.000 0.879 426 Q CB 1.868 30.583 28.738 -0.039 0.000 1.344 426 Q HN 0.594 nan 8.270 nan 0.000 0.464 427 L N 1.437 122.604 121.223 -0.093 0.000 2.323 427 L HA 0.546 4.886 4.340 0.000 0.000 0.265 427 L C -0.305 176.540 176.870 -0.042 0.000 1.012 427 L CA -1.318 53.476 54.840 -0.077 0.000 0.820 427 L CB 1.749 43.721 42.059 -0.145 0.000 1.334 427 L HN 0.850 nan 8.230 nan 0.000 0.427 428 N N 0.153 118.857 118.700 0.006 0.000 2.332 428 N HA 0.172 4.912 4.740 0.000 0.000 0.285 428 N C 0.313 175.841 175.510 0.029 0.000 1.292 428 N CA -0.436 52.631 53.050 0.029 0.000 0.947 428 N CB 0.420 38.944 38.487 0.062 0.000 1.084 428 N HN 0.433 nan 8.380 nan 0.000 0.529 429 K N -1.972 118.463 120.400 0.058 0.000 2.076 429 K HA -0.069 4.251 4.320 0.000 0.000 0.204 429 K C 1.857 178.507 176.600 0.083 0.000 1.051 429 K CA 0.763 57.083 56.287 0.054 0.000 0.949 429 K CB -0.360 32.178 32.500 0.063 0.000 0.726 429 K HN 0.422 nan 8.250 nan 0.000 0.443 430 Y N 1.917 122.227 120.300 0.016 0.000 2.242 430 Y HA -0.164 4.386 4.550 0.000 0.000 0.291 430 Y C 1.806 177.738 175.900 0.053 0.000 1.137 430 Y CA 1.528 59.652 58.100 0.039 0.000 1.181 430 Y CB 0.260 38.755 38.460 0.059 0.000 0.989 430 Y HN 0.063 nan 8.280 nan 0.000 0.527 431 E N -0.872 119.465 120.200 0.228 0.000 2.107 431 E HA -0.142 4.208 4.350 0.000 0.000 0.191 431 E C 2.273 178.736 176.600 -0.228 0.000 0.982 431 E CA 1.223 57.721 56.400 0.163 0.000 0.809 431 E CB -0.049 29.802 29.700 0.251 0.000 0.756 431 E HN 0.333 nan 8.360 nan 0.000 0.459 432 S N 0.717 116.306 115.700 -0.184 0.000 2.383 432 S HA -0.109 4.361 4.470 0.000 0.000 0.227 432 S C 1.746 176.190 174.600 -0.260 0.000 1.026 432 S CA 0.492 58.529 58.200 -0.272 0.000 0.981 432 S CB -0.081 63.021 63.200 -0.163 0.000 0.818 432 S HN 0.107 nan 8.310 nan 0.000 0.472 433 L N 2.064 123.166 121.223 -0.200 0.000 2.027 433 L HA 0.011 4.351 4.340 0.000 0.000 0.206 433 L C 2.173 178.905 176.870 -0.231 0.000 1.074 433 L CA 1.763 56.489 54.840 -0.190 0.000 0.745 433 L CB -0.900 41.045 42.059 -0.189 0.000 0.898 433 L HN 0.104 nan 8.230 nan 0.000 0.433 434 E N -0.764 119.262 120.200 -0.290 0.000 2.204 434 E HA -0.162 4.188 4.350 0.000 0.000 0.194 434 E C 2.230 178.695 176.600 -0.226 0.000 0.989 434 E CA 0.570 56.858 56.400 -0.186 0.000 0.824 434 E CB -0.288 29.413 29.700 0.000 0.000 0.756 434 E HN 0.409 nan 8.360 nan 0.000 0.477 435 L N -0.268 120.620 121.223 -0.559 0.000 2.095 435 L HA -0.116 4.224 4.340 0.000 0.000 0.204 435 L C 1.932 178.636 176.870 -0.275 0.000 1.080 435 L CA 1.119 55.532 54.840 -0.712 0.000 0.759 435 L CB -0.159 41.239 42.059 -1.102 0.000 0.914 435 L HN 0.182 nan 8.230 nan 0.000 0.439 436 C N -0.708 118.474 119.300 -0.197 0.000 2.475 436 C HA -0.054 4.406 4.460 0.000 0.000 0.279 436 C C 2.743 177.736 174.990 0.005 0.000 1.322 436 C CA 0.224 59.239 59.018 -0.005 0.000 1.734 436 C CB -0.712 27.022 27.740 -0.010 0.000 2.005 436 C HN 0.518 nan 8.230 nan 0.000 0.495 437 R N 1.484 121.960 120.500 -0.040 0.000 2.168 437 R HA -0.205 4.135 4.340 0.000 0.000 0.242 437 R C -0.508 175.795 176.300 0.006 0.000 1.123 437 R CA 2.756 58.843 56.100 -0.022 0.000 0.928 437 R CB -1.412 28.865 30.300 -0.038 0.000 0.873 437 R HN 0.393 nan 8.270 nan 0.000 0.434 438 P HA -0.149 nan 4.420 nan 0.000 0.210 438 P C 1.571 178.895 177.300 0.039 0.000 1.189 438 P CA 1.928 65.049 63.100 0.035 0.000 0.920 438 P CB -0.324 31.409 31.700 0.055 0.000 0.782 439 V N 0.800 120.753 119.914 0.065 0.000 2.250 439 V HA -0.281 3.839 4.120 0.000 0.000 0.253 439 V C 2.934 179.043 176.094 0.025 0.000 1.065 439 V CA 2.009 64.344 62.300 0.058 0.000 1.039 439 V CB -1.926 29.970 31.823 0.121 0.000 0.647 439 V HN -0.007 nan 8.190 nan 0.000 0.446 440 L N -0.575 120.665 121.223 0.029 0.000 2.042 440 L HA -0.223 4.117 4.340 0.000 0.000 0.210 440 L C 2.798 179.667 176.870 -0.001 0.000 1.076 440 L CA 1.683 56.527 54.840 0.006 0.000 0.749 440 L CB -0.671 41.389 42.059 0.001 0.000 0.893 440 L HN 0.395 nan 8.230 nan 0.000 0.432 441 Q N 0.125 119.928 119.800 0.004 0.000 2.515 441 Q HA -0.198 4.142 4.340 0.000 0.000 0.215 441 Q C 0.889 176.890 176.000 0.001 0.000 0.983 441 Q CA 1.101 56.906 55.803 0.003 0.000 0.905 441 Q CB 0.055 28.797 28.738 0.007 0.000 0.961 441 Q HN 0.619 nan 8.270 nan 0.000 0.503 442 Q N -1.279 118.520 119.800 -0.001 0.000 2.206 442 Q HA 0.218 4.558 4.340 0.000 0.000 0.265 442 Q C 0.462 176.452 176.000 -0.016 0.000 0.866 442 Q CA -0.003 55.796 55.803 -0.006 0.000 1.073 442 Q CB 0.724 29.459 28.738 -0.004 0.000 1.165 442 Q HN 0.319 nan 8.270 nan 0.000 0.465 443 G N 1.994 110.784 108.800 -0.016 0.000 2.471 443 G HA2 -0.345 3.615 3.960 0.000 0.000 0.301 443 G HA3 -0.345 3.615 3.960 0.000 0.000 0.301 443 G C 0.087 174.966 174.900 -0.035 0.000 0.902 443 G CA 0.585 45.671 45.100 -0.024 0.000 1.002 443 G HN 0.321 nan 8.290 nan 0.000 0.509 444 R N -0.580 119.894 120.500 -0.043 0.000 2.664 444 R HA 0.192 4.532 4.340 0.000 0.000 0.281 444 R C 1.194 177.437 176.300 -0.095 0.000 1.383 444 R CA -0.420 55.640 56.100 -0.066 0.000 1.563 444 R CB 0.379 30.637 30.300 -0.070 0.000 1.131 444 R HN 0.412 nan 8.270 nan 0.000 0.599 445 K N 0.056 120.406 120.400 -0.082 0.000 2.519 445 K HA -0.155 4.165 4.320 0.000 0.000 0.196 445 K C 1.221 177.743 176.600 -0.131 0.000 1.041 445 K CA 0.898 57.130 56.287 -0.092 0.000 0.954 445 K CB 0.126 32.586 32.500 -0.067 0.000 0.774 445 K HN 0.224 nan 8.250 nan 0.000 0.480 446 Q N 0.496 120.212 119.800 -0.141 0.000 2.170 446 Q HA -0.090 4.251 4.340 0.000 0.000 0.203 446 Q C 1.794 177.641 176.000 -0.254 0.000 0.976 446 Q CA 1.044 56.751 55.803 -0.160 0.000 0.858 446 Q CB -0.124 28.535 28.738 -0.133 0.000 0.907 446 Q HN 0.273 nan 8.270 nan 0.000 0.433 447 L N -0.464 120.543 121.223 -0.360 0.000 2.084 447 L HA 0.009 4.349 4.340 0.000 0.000 0.202 447 L C 1.814 178.178 176.870 -0.843 0.000 1.074 447 L CA 1.112 55.530 54.840 -0.704 0.000 0.757 447 L CB -0.601 40.946 42.059 -0.854 0.000 0.918 447 L HN 0.341 nan 8.230 nan 0.000 0.444 448 L N -0.943 120.012 121.223 -0.445 0.000 2.191 448 L HA -0.141 4.199 4.340 0.000 0.000 0.212 448 L C 2.104 178.957 176.870 -0.028 0.000 1.103 448 L CA 1.650 56.463 54.840 -0.044 0.000 0.769 448 L CB -0.710 41.389 42.059 0.067 0.000 0.908 448 L HN 0.334 nan 8.230 nan 0.000 0.438 449 E N -0.242 119.890 120.200 -0.113 0.000 2.150 449 E HA -0.221 4.129 4.350 0.000 0.000 0.193 449 E C 1.975 178.538 176.600 -0.062 0.000 0.985 449 E CA 1.070 57.427 56.400 -0.071 0.000 0.814 449 E CB -0.057 29.592 29.700 -0.085 0.000 0.752 449 E HN 0.531 nan 8.360 nan 0.000 0.466 450 K N 0.150 120.469 120.400 -0.135 0.000 2.098 450 K HA -0.111 4.209 4.320 0.000 0.000 0.203 450 K C 1.734 178.350 176.600 0.026 0.000 1.051 450 K CA 0.655 56.880 56.287 -0.103 0.000 0.957 450 K CB -0.019 32.358 32.500 -0.205 0.000 0.738 450 K HN 0.132 nan 8.250 nan 0.000 0.447 451 W N 2.015 123.290 121.300 -0.041 0.000 2.338 451 W HA -0.148 4.512 4.660 0.000 0.000 0.304 451 W C 2.106 178.600 176.519 -0.043 0.000 1.212 451 W CA 0.604 57.921 57.345 -0.047 0.000 1.264 451 W CB -0.905 28.517 29.460 -0.063 0.000 1.142 451 W HN 0.101 nan 8.180 nan 0.000 0.512 452 L N 0.121 121.459 121.223 0.191 0.000 1.961 452 L HA -0.241 4.099 4.340 0.000 0.000 0.210 452 L C 2.505 179.411 176.870 0.059 0.000 1.072 452 L CA 1.618 56.513 54.840 0.092 0.000 0.749 452 L CB -0.922 41.168 42.059 0.051 0.000 0.889 452 L HN -0.126 nan 8.230 nan 0.000 0.432 453 K N -0.218 120.206 120.400 0.041 0.000 2.228 453 K HA -0.254 4.066 4.320 0.000 0.000 0.205 453 K C 1.855 178.476 176.600 0.035 0.000 1.045 453 K CA 1.600 57.902 56.287 0.025 0.000 0.931 453 K CB 0.023 32.528 32.500 0.009 0.000 0.727 453 K HN 0.295 nan 8.250 nan 0.000 0.458 454 E N -0.106 120.130 120.200 0.060 0.000 2.299 454 E HA -0.077 4.273 4.350 0.000 0.000 0.193 454 E C -0.597 176.030 176.600 0.045 0.000 0.998 454 E CA 0.352 56.788 56.400 0.060 0.000 0.851 454 E CB 0.470 30.229 29.700 0.097 0.000 0.795 454 E HN 0.175 nan 8.360 nan 0.000 0.492 455 D N -0.201 120.226 120.400 0.044 0.000 2.800 455 D HA -0.141 4.499 4.640 0.000 0.000 0.248 455 D C -0.100 176.204 176.300 0.007 0.000 1.091 455 D CA 0.653 54.666 54.000 0.022 0.000 0.746 455 D CB -1.104 39.705 40.800 0.014 0.000 1.062 455 D HN 0.329 nan 8.370 nan 0.000 0.431 456 K N -0.614 119.787 120.400 0.001 0.000 2.412 456 K HA 0.252 4.572 4.320 0.000 0.000 0.202 456 K C 0.881 177.413 176.600 -0.112 0.000 1.102 456 K CA -0.038 56.215 56.287 -0.057 0.000 1.027 456 K CB 1.246 33.706 32.500 -0.066 0.000 0.931 456 K HN 0.148 nan 8.250 nan 0.000 0.557 457 L N 1.540 122.717 121.223 -0.076 0.000 2.331 457 L HA 0.367 4.708 4.340 0.000 0.000 0.275 457 L C -0.106 176.734 176.870 -0.049 0.000 1.022 457 L CA -0.769 54.013 54.840 -0.096 0.000 0.812 457 L CB 1.669 43.686 42.059 -0.070 0.000 1.257 457 L HN 0.036 nan 8.230 nan 0.000 0.435 458 E N 1.406 121.578 120.200 -0.047 0.000 2.055 458 E HA 0.240 4.590 4.350 0.000 0.000 0.274 458 E C -0.870 175.724 176.600 -0.010 0.000 0.949 458 E CA -0.526 55.864 56.400 -0.017 0.000 0.775 458 E CB 1.302 30.998 29.700 -0.007 0.000 1.097 458 E HN 0.638 nan 8.360 nan 0.000 0.404 459 C N 2.446 121.748 119.300 0.002 0.000 2.767 459 C HA 0.347 4.807 4.460 0.000 0.000 0.353 459 C C 0.633 175.642 174.990 0.031 0.000 1.376 459 C CA -0.381 58.644 59.018 0.011 0.000 2.284 459 C CB 0.018 27.770 27.740 0.021 0.000 2.535 459 C HN 0.774 nan 8.230 nan 0.000 0.745 460 S N -1.278 114.453 115.700 0.050 0.000 2.615 460 S HA 0.277 4.748 4.470 0.000 0.000 0.269 460 S C 0.098 174.779 174.600 0.135 0.000 1.161 460 S CA -0.684 57.559 58.200 0.072 0.000 0.817 460 S CB 1.313 64.542 63.200 0.050 0.000 1.131 460 S HN 0.801 nan 8.310 nan 0.000 0.467 461 E N 0.664 120.951 120.200 0.145 0.000 2.152 461 E HA -0.144 4.206 4.350 0.000 0.000 0.192 461 E C 1.599 178.355 176.600 0.261 0.000 0.983 461 E CA 0.987 57.526 56.400 0.232 0.000 0.818 461 E CB 0.023 29.774 29.700 0.085 0.000 0.758 461 E HN 0.762 nan 8.360 nan 0.000 0.467 462 E N 0.379 120.657 120.200 0.130 0.000 2.046 462 E HA -0.185 4.166 4.350 0.000 0.000 0.190 462 E C 2.240 178.869 176.600 0.048 0.000 0.982 462 E CA 0.653 57.103 56.400 0.084 0.000 0.800 462 E CB -0.067 29.662 29.700 0.049 0.000 0.756 462 E HN 0.155 nan 8.360 nan 0.000 0.449 463 L N 0.647 121.884 121.223 0.022 0.000 2.187 463 L HA -0.018 4.322 4.340 0.000 0.000 0.213 463 L C 1.979 178.810 176.870 -0.065 0.000 1.100 463 L CA 2.312 57.137 54.840 -0.025 0.000 0.765 463 L CB -0.763 41.276 42.059 -0.032 0.000 0.904 463 L HN 0.215 nan 8.230 nan 0.000 0.437 464 G N -1.225 107.532 108.800 -0.070 0.000 2.394 464 G HA2 -0.207 3.753 3.960 0.000 0.000 0.214 464 G HA3 -0.207 3.753 3.960 0.000 0.000 0.214 464 G C 1.228 175.972 174.900 -0.258 0.000 1.176 464 G CA 0.626 45.505 45.100 -0.369 0.000 0.786 464 G HN 0.404 nan 8.290 nan 0.000 0.533 465 D N 0.420 120.859 120.400 0.066 0.000 2.158 465 D HA -0.103 4.537 4.640 0.000 0.000 0.197 465 D C 2.443 178.752 176.300 0.015 0.000 0.995 465 D CA 0.512 54.581 54.000 0.114 0.000 0.846 465 D CB -0.279 40.602 40.800 0.135 0.000 0.941 465 D HN 0.179 nan 8.370 nan 0.000 0.456 466 L N 0.288 121.504 121.223 -0.011 0.000 1.989 466 L HA -0.176 4.164 4.340 0.000 0.000 0.211 466 L C 2.493 179.337 176.870 -0.043 0.000 1.071 466 L CA 1.137 55.963 54.840 -0.022 0.000 0.749 466 L CB -0.387 41.655 42.059 -0.028 0.000 0.890 466 L HN -0.063 nan 8.230 nan 0.000 0.431 467 V N -0.846 119.019 119.914 -0.082 0.000 2.358 467 V HA -0.316 3.804 4.120 0.000 0.000 0.246 467 V C 2.460 178.498 176.094 -0.093 0.000 1.047 467 V CA 1.759 64.003 62.300 -0.094 0.000 1.035 467 V CB -0.714 31.030 31.823 -0.132 0.000 0.658 467 V HN 0.474 nan 8.190 nan 0.000 0.452 468 K N 0.469 120.797 120.400 -0.120 0.000 2.117 468 K HA -0.318 4.002 4.320 0.000 0.000 0.215 468 K C 2.258 178.841 176.600 -0.028 0.000 1.053 468 K CA 2.305 58.551 56.287 -0.068 0.000 0.935 468 K CB -0.326 32.177 32.500 0.005 0.000 0.719 468 K HN 0.542 nan 8.250 nan 0.000 0.460 469 S N 0.186 115.875 115.700 -0.019 0.000 2.444 469 S HA -0.210 4.260 4.470 0.000 0.000 0.225 469 S C 1.999 176.589 174.600 -0.017 0.000 1.042 469 S CA 1.847 60.040 58.200 -0.010 0.000 1.132 469 S CB -0.732 62.463 63.200 -0.009 0.000 1.099 469 S HN 0.219 nan 8.310 nan 0.000 0.417 470 V N 1.944 121.844 119.914 -0.024 0.000 2.235 470 V HA -0.152 3.968 4.120 0.000 0.000 0.244 470 V C 1.031 177.107 176.094 -0.029 0.000 1.036 470 V CA 1.838 64.123 62.300 -0.026 0.000 1.001 470 V CB -0.569 31.235 31.823 -0.032 0.000 0.643 470 V HN 0.465 nan 8.190 nan 0.000 0.463 471 D N -0.435 119.942 120.400 -0.039 0.000 2.278 471 D HA 0.308 4.948 4.640 0.000 0.000 0.245 471 D C -1.969 174.304 176.300 -0.046 0.000 1.052 471 D CA -2.273 51.704 54.000 -0.039 0.000 0.834 471 D CB 2.281 43.055 40.800 -0.043 0.000 1.194 471 D HN 0.015 nan 8.370 nan 0.000 0.481 472 P HA -0.004 nan 4.420 nan 0.000 0.216 472 P C 1.071 178.357 177.300 -0.024 0.000 1.156 472 P CA 1.001 64.088 63.100 -0.020 0.000 0.855 472 P CB 0.238 31.938 31.700 -0.001 0.000 0.786 473 T N 0.146 114.688 114.554 -0.020 0.000 3.007 473 T HA -0.006 4.344 4.350 0.000 0.000 0.270 473 T C 1.583 176.264 174.700 -0.032 0.000 1.107 473 T CA 0.675 62.766 62.100 -0.016 0.000 1.118 473 T CB -0.489 68.371 68.868 -0.012 0.000 0.889 473 T HN -0.015 nan 8.240 nan 0.000 0.506 474 L N 0.366 121.558 121.223 -0.052 0.000 2.375 474 L HA 0.270 4.610 4.340 0.000 0.000 0.215 474 L C 2.596 179.397 176.870 -0.115 0.000 1.108 474 L CA 0.863 55.663 54.840 -0.066 0.000 0.830 474 L CB -0.879 41.142 42.059 -0.063 0.000 0.959 474 L HN 0.278 nan 8.230 nan 0.000 0.457 475 A N -0.525 122.198 122.820 -0.161 0.000 1.997 475 A HA -0.073 4.247 4.320 0.000 0.000 0.212 475 A C 2.186 179.586 177.584 -0.308 0.000 1.178 475 A CA 0.354 52.177 52.037 -0.356 0.000 0.698 475 A CB -0.227 18.546 19.000 -0.377 0.000 0.842 475 A HN 0.320 nan 8.150 nan 0.000 0.458 476 L N 0.295 121.474 121.223 -0.072 0.000 2.012 476 L HA -0.178 4.162 4.340 0.000 0.000 0.210 476 L C 2.762 179.669 176.870 0.061 0.000 1.073 476 L CA 2.276 57.156 54.840 0.066 0.000 0.748 476 L CB -0.209 41.881 42.059 0.052 0.000 0.891 476 L HN 0.493 nan 8.230 nan 0.000 0.431 477 S N -1.501 114.201 115.700 0.003 0.000 2.406 477 S HA -0.110 4.360 4.470 0.000 0.000 0.228 477 S C 1.822 176.425 174.600 0.004 0.000 1.020 477 S CA 1.115 59.320 58.200 0.009 0.000 0.965 477 S CB -0.375 62.822 63.200 -0.004 0.000 0.798 477 S HN 0.286 nan 8.310 nan 0.000 0.488 478 V N 0.699 120.583 119.914 -0.050 0.000 2.379 478 V HA -0.077 4.043 4.120 0.000 0.000 0.245 478 V C 2.157 178.264 176.094 0.022 0.000 1.044 478 V CA 1.751 64.016 62.300 -0.059 0.000 1.036 478 V CB -0.870 30.860 31.823 -0.155 0.000 0.664 478 V HN 0.597 nan 8.190 nan 0.000 0.453 479 Y N -0.891 119.411 120.300 0.004 0.000 2.133 479 Y HA -0.210 4.340 4.550 0.000 0.000 0.287 479 Y C 2.547 178.448 175.900 0.003 0.000 1.134 479 Y CA 1.190 59.292 58.100 0.003 0.000 1.133 479 Y CB -0.071 38.390 38.460 0.002 0.000 0.987 479 Y HN 0.122 nan 8.280 nan 0.000 0.502 480 L N 0.287 121.619 121.223 0.183 0.000 1.997 480 L HA -0.358 3.982 4.340 0.000 0.000 0.216 480 L C 2.518 179.431 176.870 0.072 0.000 1.074 480 L CA 1.813 56.711 54.840 0.097 0.000 0.763 480 L CB -0.383 41.715 42.059 0.066 0.000 0.890 480 L HN 0.310 nan 8.230 nan 0.000 0.434 481 R N -0.735 119.803 120.500 0.063 0.000 2.070 481 R HA -0.163 4.177 4.340 0.000 0.000 0.233 481 R C 2.174 178.505 176.300 0.051 0.000 1.137 481 R CA 1.573 57.699 56.100 0.044 0.000 0.945 481 R CB -0.442 29.876 30.300 0.030 0.000 0.845 481 R HN 0.478 nan 8.270 nan 0.000 0.430 482 A N 1.165 124.030 122.820 0.075 0.000 2.119 482 A HA -0.100 4.220 4.320 0.000 0.000 0.217 482 A C 0.236 177.858 177.584 0.063 0.000 1.153 482 A CA 0.582 52.663 52.037 0.072 0.000 0.692 482 A CB -0.443 18.617 19.000 0.100 0.000 0.799 482 A HN 0.595 nan 8.150 nan 0.000 0.458 483 N N -1.580 117.161 118.700 0.068 0.000 2.407 483 N HA -0.107 4.633 4.740 0.000 0.000 0.284 483 N C -0.664 174.854 175.510 0.013 0.000 1.508 483 N CA 0.827 53.900 53.050 0.038 0.000 0.779 483 N CB -1.641 36.861 38.487 0.025 0.000 0.916 483 N HN 1.175 nan 8.380 nan 0.000 0.474 484 V N 1.819 121.723 119.914 -0.018 0.000 2.769 484 V HA 0.933 5.054 4.120 0.000 0.000 0.312 484 V C -1.639 174.411 176.094 -0.073 0.000 1.061 484 V CA -1.599 60.660 62.300 -0.070 0.000 0.931 484 V CB 1.325 33.040 31.823 -0.180 0.000 1.010 484 V HN 0.562 nan 8.190 nan 0.000 0.433 485 P HA 0.188 nan 4.420 nan 0.000 0.271 485 P C -0.456 176.803 177.300 -0.069 0.000 1.233 485 P CA -0.004 63.063 63.100 -0.054 0.000 0.795 485 P CB 0.058 31.730 31.700 -0.047 0.000 0.936 486 N N 0.206 118.876 118.700 -0.051 0.000 3.193 486 N HA 0.068 4.808 4.740 0.000 0.000 0.312 486 N C -0.296 175.182 175.510 -0.054 0.000 1.261 486 N CA 0.044 53.065 53.050 -0.049 0.000 1.208 486 N CB -0.361 38.107 38.487 -0.031 0.000 1.471 486 N HN 0.310 nan 8.380 nan 0.000 0.548 487 K N 0.000 120.353 120.400 -0.079 0.000 2.780 487 K HA 0.000 4.320 4.320 0.000 0.000 0.191 487 K CA 0.000 56.241 56.287 -0.076 0.000 0.838 487 K CB 0.000 32.452 32.500 -0.080 0.000 1.064 487 K HN 0.000 nan 8.250 nan 0.000 0.543