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 3lml_1_E DATA FIRST_RESID 21 DATA SEQUENCE NFKAAAAERT KAGERGTVAL PLAASWGAAK EFVEINKEED VEKKLGLSLA DATA SEQUENCE HQSFLLLRET LKLAKTVLVY RLNDGIKATA TLATDVVVTA KYGGIVGNSI DATA SEQUENCE TIKVDENVVD SSKKDVTTYL NEVAVDKQVV GTASELIDSN YVSFKTTSTS DATA SEQUENCE ELQQSSGTTL VGGTDQPVTN LDYTQFLVSA EGEYFDTIAF PVSSSDVALK DATA SEQUENCE TSFVSFVKRX RDEQGVKIKG VVANXPADYE GIINVRNGVT LRDGTILEPH DATA SEQUENCE QVVAWVAGAD ASASXLKSNT FVKYDGAIDA TPRLANDEAE EALQNGEFVL DATA SEQUENCE TFDARDKAVY VEQDLNSLTT FSKEKSSKFR KNKISRILDG INNDTRRNIL DATA SEQUENCE DAIKERKDAN TDIPADENGV QFILSXQTAY LNELQDSGAI TNFDSTADIT DATA SEQUENCE VSLNNNVDGF IVNQSIEPVD SGEKFYFTTE V 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 21 N HA 0.000 nan 4.740 nan 0.000 0.220 21 N C 0.000 175.550 175.510 0.066 0.000 1.280 21 N CA 0.000 53.094 53.050 0.074 0.000 0.885 21 N CB 0.000 38.535 38.487 0.080 0.000 1.341 22 F N 3.080 123.026 119.950 -0.005 0.000 2.374 22 F HA 0.271 4.798 4.527 -0.000 0.000 0.291 22 F C 2.433 178.270 175.800 0.061 0.000 1.084 22 F CA 1.106 59.097 58.000 -0.015 0.000 1.413 22 F CB 0.412 39.374 39.000 -0.063 0.000 1.099 22 F HN 0.026 nan 8.300 nan 0.000 0.534 23 K N 0.012 120.564 120.400 0.254 0.000 2.365 23 K HA 0.178 4.498 4.320 -0.000 0.000 0.197 23 K C 1.881 178.550 176.600 0.115 0.000 1.042 23 K CA 0.976 57.379 56.287 0.193 0.000 0.987 23 K CB -0.408 32.153 32.500 0.102 0.000 0.779 23 K HN 0.081 nan 8.250 nan 0.000 0.484 24 A N 1.803 124.670 122.820 0.078 0.000 1.978 24 A HA -0.103 4.217 4.320 -0.000 0.000 0.220 24 A C 2.507 180.112 177.584 0.036 0.000 1.170 24 A CA 1.785 53.843 52.037 0.036 0.000 0.636 24 A CB -0.899 18.110 19.000 0.016 0.000 0.810 24 A HN 0.509 nan 8.150 nan 0.000 0.448 25 A N -0.252 122.604 122.820 0.060 0.000 1.933 25 A HA 0.169 4.489 4.320 -0.000 0.000 0.218 25 A C 2.473 180.170 177.584 0.188 0.000 1.175 25 A CA 1.972 54.061 52.037 0.086 0.000 0.628 25 A CB -0.903 18.094 19.000 -0.005 0.000 0.814 25 A HN 1.062 nan 8.150 nan 0.000 0.444 26 A N -0.167 122.764 122.820 0.184 0.000 1.930 26 A HA 0.216 4.536 4.320 -0.000 0.000 0.217 26 A C 2.353 179.880 177.584 -0.094 0.000 1.175 26 A CA 1.733 53.675 52.037 -0.157 0.000 0.627 26 A CB -0.855 17.854 19.000 -0.485 0.000 0.815 26 A HN 1.095 nan 8.150 nan 0.000 0.443 27 A N -1.154 121.641 122.820 -0.042 0.000 2.216 27 A HA -0.023 4.297 4.320 -0.000 0.000 0.214 27 A C 1.891 179.461 177.584 -0.022 0.000 1.160 27 A CA 1.327 53.343 52.037 -0.034 0.000 0.725 27 A CB -0.237 18.753 19.000 -0.017 0.000 0.784 27 A HN 0.476 nan 8.150 nan 0.000 0.472 28 E N -0.364 119.830 120.200 -0.010 0.000 2.099 28 E HA 0.012 4.362 4.350 -0.000 0.000 0.191 28 E C 1.731 178.321 176.600 -0.015 0.000 0.962 28 E CA 0.175 56.569 56.400 -0.009 0.000 0.826 28 E CB -0.099 29.600 29.700 -0.003 0.000 0.788 28 E HN 0.317 nan 8.360 nan 0.000 0.461 29 R N 0.198 120.688 120.500 -0.016 0.000 2.285 29 R HA 0.026 4.366 4.340 -0.000 0.000 0.213 29 R C 1.525 177.800 176.300 -0.042 0.000 1.068 29 R CA 0.747 56.831 56.100 -0.026 0.000 1.004 29 R CB -0.203 30.083 30.300 -0.023 0.000 0.873 29 R HN 0.121 nan 8.270 nan 0.000 0.467 30 T N -0.399 114.127 114.554 -0.047 0.000 2.999 30 T HA 0.058 4.408 4.350 -0.000 0.000 0.247 30 T C 0.771 175.452 174.700 -0.032 0.000 1.012 30 T CA -0.338 61.734 62.100 -0.047 0.000 1.048 30 T CB 0.786 69.616 68.868 -0.064 0.000 1.020 30 T HN 0.129 nan 8.240 nan 0.000 0.478 31 K N 1.875 122.259 120.400 -0.027 0.000 2.606 31 K HA 0.109 4.429 4.320 -0.000 0.000 0.279 31 K C -0.493 176.099 176.600 -0.013 0.000 0.961 31 K CA 0.196 56.472 56.287 -0.018 0.000 1.002 31 K CB 0.150 32.642 32.500 -0.014 0.000 0.871 31 K HN 0.236 nan 8.250 nan 0.000 0.508 32 A N 2.534 125.349 122.820 -0.009 0.000 2.271 32 A HA 0.669 4.989 4.320 -0.000 0.000 0.317 32 A C 0.190 177.773 177.584 -0.001 0.000 1.245 32 A CA 0.327 52.361 52.037 -0.004 0.000 0.857 32 A CB 1.118 20.117 19.000 -0.002 0.000 1.175 32 A HN 1.045 nan 8.150 nan 0.000 0.512 33 G N 1.762 110.562 108.800 0.000 0.000 2.247 33 G HA2 0.236 4.196 3.960 -0.000 0.000 0.229 33 G HA3 0.236 4.196 3.960 -0.000 0.000 0.229 33 G C -1.106 173.794 174.900 -0.000 0.000 1.345 33 G CA -0.533 44.569 45.100 0.002 0.000 1.100 33 G HN 0.843 nan 8.290 nan 0.000 0.473 34 E N 0.805 121.006 120.200 0.001 0.000 2.344 34 E HA 0.642 4.992 4.350 -0.000 0.000 0.270 34 E C 0.425 177.021 176.600 -0.006 0.000 1.021 34 E CA 0.367 56.766 56.400 -0.002 0.000 0.887 34 E CB 0.862 30.563 29.700 0.002 0.000 0.997 34 E HN 0.594 nan 8.360 nan 0.000 0.429 35 R N 1.205 121.698 120.500 -0.011 0.000 2.692 35 R HA 0.640 4.980 4.340 -0.000 0.000 0.269 35 R C -1.005 175.286 176.300 -0.015 0.000 1.030 35 R CA -0.571 55.522 56.100 -0.012 0.000 0.882 35 R CB 2.291 32.581 30.300 -0.016 0.000 1.250 35 R HN 0.773 nan 8.270 nan 0.000 0.465 36 G N 0.710 109.506 108.800 -0.007 0.000 3.019 36 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.686 36 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.686 36 G C -0.837 174.074 174.900 0.019 0.000 1.056 36 G CA -0.118 44.983 45.100 0.001 0.000 0.774 36 G HN 0.553 nan 8.290 nan 0.000 0.583 37 T N 1.001 115.586 114.554 0.051 0.000 2.890 37 T HA 0.639 4.989 4.350 -0.000 0.000 0.295 37 T C -0.195 174.584 174.700 0.131 0.000 0.993 37 T CA 0.230 62.376 62.100 0.078 0.000 0.979 37 T CB 1.280 70.199 68.868 0.086 0.000 0.967 37 T HN 1.986 nan 8.240 nan 0.000 0.441 38 V N 4.586 124.557 119.914 0.094 0.000 2.667 38 V HA 0.925 5.045 4.120 -0.000 0.000 0.308 38 V C -0.066 176.064 176.094 0.060 0.000 1.048 38 V CA -0.662 61.692 62.300 0.090 0.000 0.928 38 V CB 1.488 33.342 31.823 0.052 0.000 1.004 38 V HN 1.121 nan 8.190 nan 0.000 0.444 39 A N 6.957 129.753 122.820 -0.040 0.000 2.252 39 A HA 0.696 5.016 4.320 -0.000 0.000 0.309 39 A C -0.661 177.058 177.584 0.224 0.000 1.285 39 A CA -0.416 51.635 52.037 0.024 0.000 0.900 39 A CB 0.215 18.938 19.000 -0.461 0.000 1.157 39 A HN 1.018 nan 8.150 nan 0.000 0.536 40 L N 5.950 127.314 121.223 0.236 0.000 2.372 40 L HA 0.463 4.803 4.340 -0.000 0.000 0.273 40 L C -2.471 174.328 176.870 -0.118 0.000 0.989 40 L CA -2.358 52.522 54.840 0.067 0.000 0.841 40 L CB 2.898 44.990 42.059 0.055 0.000 1.225 40 L HN 0.473 nan 8.230 nan 0.000 0.414 41 P HA 0.296 nan 4.420 nan 0.000 0.287 41 P C -1.029 175.994 177.300 -0.461 0.000 1.294 41 P CA -0.172 62.399 63.100 -0.881 0.000 0.776 41 P CB 1.768 32.287 31.700 -1.968 0.000 0.889 42 L N 2.642 123.676 121.223 -0.315 0.000 2.177 42 L HA 0.831 5.171 4.340 -0.000 0.000 0.255 42 L C 0.280 177.009 176.870 -0.236 0.000 1.065 42 L CA -1.191 53.526 54.840 -0.207 0.000 0.982 42 L CB 1.486 43.507 42.059 -0.063 0.000 1.559 42 L HN 0.227 nan 8.230 nan 0.000 0.492 43 A N 0.410 123.129 122.820 -0.169 0.000 3.216 43 A HA 0.745 5.065 4.320 -0.000 0.000 0.321 43 A C -0.333 177.159 177.584 -0.154 0.000 1.042 43 A CA -0.273 51.658 52.037 -0.176 0.000 0.838 43 A CB 0.349 19.258 19.000 -0.152 0.000 1.136 43 A HN 0.572 nan 8.150 nan 0.000 0.483 44 A N 0.136 122.877 122.820 -0.131 0.000 2.259 44 A HA 0.666 4.986 4.320 -0.000 0.000 0.278 44 A C 0.889 178.423 177.584 -0.084 0.000 1.107 44 A CA -0.106 51.866 52.037 -0.107 0.000 0.828 44 A CB 0.364 19.384 19.000 0.033 0.000 1.111 44 A HN 0.760 nan 8.150 nan 0.000 0.498 45 S N 0.366 116.043 115.700 -0.039 0.000 2.506 45 S HA 0.316 4.786 4.470 -0.000 0.000 0.245 45 S C -0.913 173.820 174.600 0.221 0.000 1.088 45 S CA -0.121 58.100 58.200 0.035 0.000 1.099 45 S CB -0.534 62.672 63.200 0.009 0.000 0.805 45 S HN 0.576 nan 8.310 nan 0.000 0.461 46 W N -0.133 121.119 121.300 -0.080 0.000 3.955 46 W HA 0.402 5.062 4.660 -0.000 0.000 0.268 46 W C -0.926 175.474 176.519 -0.199 0.000 1.249 46 W CA -0.250 57.062 57.345 -0.055 0.000 1.211 46 W CB 0.346 29.821 29.460 0.026 0.000 1.236 46 W HN 0.323 nan 8.180 nan 0.000 0.568 47 G N 1.263 109.566 108.800 -0.827 0.000 2.359 47 G HA2 0.457 4.417 3.960 -0.000 0.000 0.314 47 G HA3 0.457 4.417 3.960 -0.000 0.000 0.314 47 G C 0.320 174.441 174.900 -1.298 0.000 1.364 47 G CA 0.015 44.507 45.100 -1.014 0.000 0.978 47 G HN 1.353 nan 8.290 nan 0.000 0.615 48 A N -0.300 121.869 122.820 -1.085 0.000 1.958 48 A HA 0.461 4.781 4.320 -0.000 0.000 0.221 48 A C 1.959 179.341 177.584 -0.338 0.000 1.178 48 A CA 3.121 54.820 52.037 -0.564 0.000 0.642 48 A CB -0.981 17.851 19.000 -0.279 0.000 0.816 48 A HN 2.924 nan 8.150 nan 0.000 0.453 49 A N -2.470 120.112 122.820 -0.396 0.000 2.406 49 A HA 0.043 4.363 4.320 -0.000 0.000 0.675 49 A C 0.680 178.080 177.584 -0.307 0.000 0.167 49 A CA 0.993 52.825 52.037 -0.341 0.000 0.098 49 A CB -1.855 17.006 19.000 -0.231 0.000 3.910 49 A HN 1.163 nan 8.150 nan 0.000 0.539 50 K N -0.703 119.422 120.400 -0.459 0.000 3.341 50 K HA -0.205 4.115 4.320 -0.000 0.000 0.305 50 K C 0.090 176.610 176.600 -0.134 0.000 1.270 50 K CA 2.177 58.295 56.287 -0.282 0.000 0.897 50 K CB -0.934 31.532 32.500 -0.057 0.000 1.264 50 K HN 0.971 nan 8.250 nan 0.000 0.468 51 E N -0.910 119.079 120.200 -0.352 0.000 2.393 51 E HA 0.429 4.779 4.350 -0.000 0.000 0.273 51 E C -0.722 175.791 176.600 -0.146 0.000 0.918 51 E CA -0.913 55.441 56.400 -0.077 0.000 0.773 51 E CB 1.095 30.776 29.700 -0.031 0.000 1.275 51 E HN -0.084 nan 8.360 nan 0.000 0.451 52 F N 0.560 120.601 119.950 0.152 0.000 2.370 52 F HA 0.426 4.953 4.527 -0.000 0.000 0.319 52 F C 0.101 175.922 175.800 0.035 0.000 1.129 52 F CA -0.343 57.745 58.000 0.146 0.000 1.109 52 F CB 1.120 40.230 39.000 0.184 0.000 1.262 52 F HN 0.051 nan 8.300 nan 0.000 0.534 53 V N 1.247 121.331 119.914 0.284 0.000 2.668 53 V HA 0.204 4.324 4.120 -0.000 0.000 0.304 53 V C -0.729 175.446 176.094 0.135 0.000 1.071 53 V CA -1.048 61.330 62.300 0.129 0.000 0.894 53 V CB 1.753 33.594 31.823 0.031 0.000 1.008 53 V HN 0.690 nan 8.190 nan 0.000 0.425 54 E N 5.197 125.451 120.200 0.089 0.000 2.200 54 E HA 0.622 4.972 4.350 -0.000 0.000 0.283 54 E C -0.941 175.678 176.600 0.032 0.000 1.015 54 E CA -0.473 55.965 56.400 0.065 0.000 0.819 54 E CB 1.261 30.990 29.700 0.048 0.000 1.081 54 E HN 0.735 nan 8.360 nan 0.000 0.397 55 I N 2.288 122.870 120.570 0.021 0.000 2.582 55 I HA 0.445 4.615 4.170 -0.000 0.000 0.292 55 I C -0.287 175.828 176.117 -0.003 0.000 1.066 55 I CA -0.665 60.631 61.300 -0.008 0.000 1.053 55 I CB 1.957 39.928 38.000 -0.049 0.000 1.241 55 I HN 0.431 nan 8.210 nan 0.000 0.421 56 N N 3.917 122.614 118.700 -0.006 0.000 2.325 56 N HA 0.178 4.917 4.740 -0.000 0.000 0.220 56 N C -0.495 175.012 175.510 -0.005 0.000 1.176 56 N CA -0.311 52.739 53.050 -0.000 0.000 0.861 56 N CB 0.830 39.321 38.487 0.007 0.000 1.230 56 N HN 0.554 nan 8.380 nan 0.000 0.479 57 K N 1.072 121.466 120.400 -0.010 0.000 2.318 57 K HA 0.231 4.551 4.320 -0.000 0.000 0.249 57 K C 0.690 177.276 176.600 -0.024 0.000 0.942 57 K CA -0.578 55.703 56.287 -0.009 0.000 0.808 57 K CB 2.660 35.158 32.500 -0.002 0.000 1.189 57 K HN -0.086 nan 8.250 nan 0.000 0.428 58 E N 2.331 122.519 120.200 -0.019 0.000 2.097 58 E HA -0.307 4.043 4.350 -0.000 0.000 0.196 58 E C 1.025 177.603 176.600 -0.036 0.000 1.000 58 E CA 1.889 58.271 56.400 -0.031 0.000 0.804 58 E CB 0.250 29.945 29.700 -0.008 0.000 0.740 58 E HN 0.647 nan 8.360 nan 0.000 0.454 59 E N 0.904 121.094 120.200 -0.016 0.000 2.097 59 E HA -0.257 4.093 4.350 -0.000 0.000 0.196 59 E C 1.651 178.241 176.600 -0.018 0.000 1.000 59 E CA 1.428 57.822 56.400 -0.009 0.000 0.804 59 E CB -0.583 29.119 29.700 0.004 0.000 0.740 59 E HN 0.377 nan 8.360 nan 0.000 0.454 60 D N 1.287 121.671 120.400 -0.026 0.000 2.133 60 D HA -0.130 4.510 4.640 -0.000 0.000 0.195 60 D C 2.239 178.501 176.300 -0.063 0.000 0.997 60 D CA 1.335 55.318 54.000 -0.029 0.000 0.840 60 D CB -0.319 40.464 40.800 -0.029 0.000 0.947 60 D HN 0.093 nan 8.370 nan 0.000 0.452 61 V N 0.829 120.668 119.914 -0.125 0.000 2.231 61 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 61 V C 2.480 178.486 176.094 -0.147 0.000 1.054 61 V CA 2.183 64.334 62.300 -0.248 0.000 1.015 61 V CB -0.556 31.020 31.823 -0.412 0.000 0.638 61 V HN 0.222 nan 8.190 nan 0.000 0.444 62 E N -0.026 120.133 120.200 -0.069 0.000 2.077 62 E HA -0.259 4.091 4.350 -0.000 0.000 0.193 62 E C 2.355 178.964 176.600 0.014 0.000 0.989 62 E CA 1.400 57.800 56.400 -0.000 0.000 0.800 62 E CB -0.146 29.565 29.700 0.018 0.000 0.746 62 E HN 0.505 nan 8.360 nan 0.000 0.452 63 K N 0.326 120.740 120.400 0.023 0.000 2.148 63 K HA -0.157 4.163 4.320 -0.000 0.000 0.204 63 K C 1.575 178.220 176.600 0.075 0.000 1.050 63 K CA 1.281 57.606 56.287 0.062 0.000 0.942 63 K CB 0.154 32.688 32.500 0.057 0.000 0.724 63 K HN -0.014 nan 8.250 nan 0.000 0.446 64 K N -0.613 119.819 120.400 0.053 0.000 2.334 64 K HA 0.071 4.391 4.320 -0.000 0.000 0.195 64 K C 0.885 177.571 176.600 0.144 0.000 1.045 64 K CA 0.153 56.490 56.287 0.083 0.000 1.004 64 K CB 0.522 33.039 32.500 0.029 0.000 0.837 64 K HN -0.018 nan 8.250 nan 0.000 0.510 65 L N -0.846 120.444 121.223 0.112 0.000 2.966 65 L HA 0.320 4.660 4.340 -0.000 0.000 0.262 65 L C 0.955 177.909 176.870 0.140 0.000 1.165 65 L CA 0.538 55.506 54.840 0.213 0.000 0.978 65 L CB 0.682 42.868 42.059 0.211 0.000 1.337 65 L HN 0.326 nan 8.230 nan 0.000 0.563 66 G N -0.502 108.265 108.800 -0.055 0.000 2.220 66 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.269 66 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.269 66 G C 0.334 175.210 174.900 -0.040 0.000 0.977 66 G CA 0.713 45.687 45.100 -0.210 0.000 0.634 66 G HN 0.153 nan 8.290 nan 0.000 0.539 67 L N -0.073 121.221 121.223 0.119 0.000 2.279 67 L HA 0.793 5.133 4.340 -0.000 0.000 0.262 67 L C 0.805 177.842 176.870 0.279 0.000 1.019 67 L CA -0.526 54.436 54.840 0.203 0.000 0.823 67 L CB 1.240 43.386 42.059 0.145 0.000 1.358 67 L HN 0.214 nan 8.230 nan 0.000 0.432 68 S N 0.092 115.963 115.700 0.285 0.000 2.584 68 S HA 0.161 4.631 4.470 -0.000 0.000 0.273 68 S C 0.953 175.750 174.600 0.329 0.000 1.311 68 S CA -0.449 57.883 58.200 0.219 0.000 1.034 68 S CB 0.542 63.838 63.200 0.160 0.000 0.939 68 S HN 0.501 nan 8.310 nan 0.000 0.513 69 L N 4.945 126.257 121.223 0.148 0.000 2.349 69 L HA 0.101 4.441 4.340 -0.000 0.000 0.220 69 L C 2.117 179.144 176.870 0.262 0.000 1.130 69 L CA 2.251 57.163 54.840 0.120 0.000 0.791 69 L CB -1.063 40.990 42.059 -0.011 0.000 0.918 69 L HN 0.839 nan 8.230 nan 0.000 0.444 70 A N -2.140 120.809 122.820 0.215 0.000 2.169 70 A HA -0.068 4.252 4.320 -0.000 0.000 0.212 70 A C 1.178 178.873 177.584 0.184 0.000 1.153 70 A CA -0.010 52.125 52.037 0.164 0.000 0.756 70 A CB -0.877 18.180 19.000 0.096 0.000 0.813 70 A HN 0.559 nan 8.150 nan 0.000 0.471 71 H N -0.291 118.878 119.070 0.164 0.000 2.913 71 H HA 0.038 4.594 4.556 -0.000 0.000 0.365 71 H C 1.160 176.483 175.328 -0.008 0.000 1.155 71 H CA 0.945 57.024 56.048 0.052 0.000 1.417 71 H CB 0.797 30.557 29.762 -0.004 0.000 1.386 71 H HN 0.287 nan 8.280 nan 0.000 0.614 72 Q N 1.764 121.667 119.800 0.170 0.000 2.369 72 Q HA -0.060 4.280 4.340 -0.000 0.000 0.206 72 Q C 1.838 177.884 176.000 0.076 0.000 0.963 72 Q CA 1.336 57.205 55.803 0.110 0.000 0.894 72 Q CB 0.090 28.834 28.738 0.010 0.000 0.965 72 Q HN 0.577 nan 8.270 nan 0.000 0.475 73 S N -0.611 115.087 115.700 -0.003 0.000 2.423 73 S HA -0.028 4.442 4.470 -0.000 0.000 0.231 73 S C 0.497 174.822 174.600 -0.458 0.000 1.014 73 S CA 0.703 58.621 58.200 -0.470 0.000 0.965 73 S CB -0.154 62.390 63.200 -1.092 0.000 0.785 73 S HN 0.447 nan 8.310 nan 0.000 0.495 74 F N 1.135 121.115 119.950 0.050 0.000 2.819 74 F HA 0.400 4.927 4.527 -0.000 0.000 0.294 74 F C 1.374 177.201 175.800 0.046 0.000 1.166 74 F CA -0.481 57.538 58.000 0.031 0.000 1.374 74 F CB -0.260 38.759 39.000 0.032 0.000 0.956 74 F HN 0.088 nan 8.300 nan 0.000 0.509 75 L N 0.190 121.505 121.223 0.154 0.000 1.956 75 L HA -0.259 4.081 4.340 -0.000 0.000 0.216 75 L C 2.241 179.188 176.870 0.128 0.000 1.073 75 L CA 1.894 56.806 54.840 0.121 0.000 0.762 75 L CB -0.303 41.797 42.059 0.067 0.000 0.889 75 L HN 0.319 nan 8.230 nan 0.000 0.433 76 L N -0.696 120.590 121.223 0.106 0.000 2.042 76 L HA -0.282 4.058 4.340 -0.000 0.000 0.210 76 L C 2.617 179.556 176.870 0.116 0.000 1.076 76 L CA 0.953 55.853 54.840 0.100 0.000 0.749 76 L CB -0.764 41.333 42.059 0.064 0.000 0.893 76 L HN 0.380 nan 8.230 nan 0.000 0.432 77 L N 0.257 121.563 121.223 0.139 0.000 1.990 77 L HA -0.234 4.106 4.340 -0.000 0.000 0.213 77 L C 2.779 179.707 176.870 0.097 0.000 1.072 77 L CA 1.799 56.706 54.840 0.112 0.000 0.755 77 L CB -0.592 41.542 42.059 0.125 0.000 0.889 77 L HN 0.107 nan 8.230 nan 0.000 0.432 78 R N -0.519 120.056 120.500 0.125 0.000 2.083 78 R HA -0.155 4.185 4.340 -0.000 0.000 0.237 78 R C 2.061 178.438 176.300 0.129 0.000 1.137 78 R CA 1.511 57.679 56.100 0.114 0.000 0.951 78 R CB -0.552 29.825 30.300 0.129 0.000 0.851 78 R HN 0.457 nan 8.270 nan 0.000 0.434 79 E N 0.030 120.325 120.200 0.159 0.000 2.160 79 E HA -0.129 4.221 4.350 -0.000 0.000 0.195 79 E C 1.932 178.644 176.600 0.186 0.000 0.991 79 E CA 1.427 57.958 56.400 0.218 0.000 0.810 79 E CB -0.249 29.604 29.700 0.255 0.000 0.742 79 E HN 0.363 nan 8.360 nan 0.000 0.466 80 T N 1.538 116.156 114.554 0.107 0.000 2.770 80 T HA -0.004 4.346 4.350 -0.000 0.000 0.263 80 T C 2.078 176.779 174.700 0.001 0.000 1.039 80 T CA 0.455 62.575 62.100 0.032 0.000 1.142 80 T CB -0.200 68.689 68.868 0.034 0.000 0.868 80 T HN 0.085 nan 8.240 nan 0.000 0.435 81 L N 0.790 122.032 121.223 0.032 0.000 2.450 81 L HA -0.061 4.279 4.340 -0.000 0.000 0.224 81 L C 2.430 179.319 176.870 0.031 0.000 1.149 81 L CA 0.978 55.831 54.840 0.022 0.000 0.816 81 L CB -0.470 41.605 42.059 0.028 0.000 0.932 81 L HN 0.239 nan 8.230 nan 0.000 0.449 82 K N -0.118 120.321 120.400 0.064 0.000 2.211 82 K HA -0.121 4.199 4.320 -0.000 0.000 0.204 82 K C 1.532 178.156 176.600 0.040 0.000 1.047 82 K CA 1.098 57.445 56.287 0.100 0.000 0.935 82 K CB 0.109 32.748 32.500 0.231 0.000 0.728 82 K HN 0.374 nan 8.250 nan 0.000 0.452 83 L N -1.704 119.482 121.223 -0.062 0.000 3.154 83 L HA 0.244 4.584 4.340 -0.000 0.000 0.280 83 L C 0.255 177.069 176.870 -0.094 0.000 1.134 83 L CA -0.376 54.403 54.840 -0.101 0.000 1.037 83 L CB 0.650 42.563 42.059 -0.242 0.000 1.571 83 L HN -0.110 nan 8.230 nan 0.000 0.576 84 A N 0.628 123.395 122.820 -0.089 0.000 2.363 84 A HA 0.219 4.539 4.320 -0.000 0.000 0.270 84 A C 1.079 178.650 177.584 -0.022 0.000 1.121 84 A CA -0.135 51.869 52.037 -0.056 0.000 0.800 84 A CB 0.903 19.874 19.000 -0.048 0.000 1.052 84 A HN 0.205 nan 8.150 nan 0.000 0.493 85 K N 0.941 121.334 120.400 -0.012 0.000 2.076 85 K HA 0.002 4.322 4.320 -0.000 0.000 0.204 85 K C -0.099 176.505 176.600 0.006 0.000 1.051 85 K CA 1.565 57.851 56.287 -0.001 0.000 0.949 85 K CB 0.106 32.607 32.500 0.001 0.000 0.726 85 K HN 0.704 nan 8.250 nan 0.000 0.443 86 T N 0.536 115.098 114.554 0.013 0.000 2.876 86 T HA 0.465 4.815 4.350 -0.000 0.000 0.289 86 T C -1.392 173.327 174.700 0.033 0.000 1.014 86 T CA -0.802 61.312 62.100 0.023 0.000 0.986 86 T CB 2.396 71.284 68.868 0.032 0.000 1.021 86 T HN -0.175 nan 8.240 nan 0.000 0.458 87 V N 3.446 123.382 119.914 0.036 0.000 2.531 87 V HA 0.415 4.535 4.120 -0.000 0.000 0.301 87 V C -0.515 175.628 176.094 0.082 0.000 1.034 87 V CA -0.831 61.501 62.300 0.054 0.000 0.865 87 V CB 1.725 33.571 31.823 0.039 0.000 0.995 87 V HN 0.754 nan 8.190 nan 0.000 0.424 88 L N 5.276 126.570 121.223 0.118 0.000 2.352 88 L HA 0.415 4.755 4.340 -0.000 0.000 0.272 88 L C 0.004 177.116 176.870 0.403 0.000 1.109 88 L CA -0.341 54.616 54.840 0.195 0.000 0.952 88 L CB 1.317 43.390 42.059 0.024 0.000 1.314 88 L HN 0.490 nan 8.230 nan 0.000 0.427 89 V N 4.256 124.345 119.914 0.292 0.000 2.508 89 V HA 0.105 4.225 4.120 -0.000 0.000 0.281 89 V C -0.806 175.404 176.094 0.194 0.000 1.041 89 V CA -0.103 62.322 62.300 0.208 0.000 1.016 89 V CB 1.066 32.931 31.823 0.070 0.000 0.984 89 V HN 0.504 nan 8.190 nan 0.000 0.478 90 Y N 7.153 127.350 120.300 -0.171 0.000 2.331 90 Y HA 0.493 5.043 4.550 -0.000 0.000 0.338 90 Y C 0.377 176.030 175.900 -0.411 0.000 0.976 90 Y CA -0.789 56.973 58.100 -0.564 0.000 1.137 90 Y CB 0.823 38.742 38.460 -0.902 0.000 1.172 90 Y HN 0.696 nan 8.280 nan 0.000 0.478 91 R N 7.049 127.029 120.500 -0.866 0.000 2.291 91 R HA 0.154 4.494 4.340 -0.000 0.000 0.333 91 R C 0.278 176.041 176.300 -0.893 0.000 1.082 91 R CA 0.163 55.850 56.100 -0.689 0.000 0.948 91 R CB 0.224 30.210 30.300 -0.523 0.000 1.009 91 R HN 1.073 nan 8.270 nan 0.000 0.460 92 L N 3.181 124.074 121.223 -0.550 0.000 2.005 92 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 92 L C 1.145 177.839 176.870 -0.293 0.000 1.072 92 L CA 1.374 55.984 54.840 -0.384 0.000 0.744 92 L CB -0.475 41.328 42.059 -0.427 0.000 0.895 92 L HN 0.689 nan 8.230 nan 0.000 0.433 93 N N -1.282 117.261 118.700 -0.261 0.000 2.452 93 N HA 0.263 5.003 4.740 -0.000 0.000 0.296 93 N C -0.428 174.969 175.510 -0.189 0.000 1.304 93 N CA -0.474 52.466 53.050 -0.183 0.000 0.956 93 N CB 0.391 38.792 38.487 -0.142 0.000 1.106 93 N HN -0.019 nan 8.380 nan 0.000 0.555 94 D N -4.288 116.029 120.400 -0.138 0.000 2.992 94 D HA 0.668 5.308 4.640 -0.000 0.000 0.349 94 D C -1.274 174.973 176.300 -0.089 0.000 1.393 94 D CA 0.136 54.059 54.000 -0.128 0.000 0.887 94 D CB 1.152 41.883 40.800 -0.115 0.000 1.447 94 D HN 0.912 nan 8.370 nan 0.000 0.524 95 G N -0.425 108.330 108.800 -0.076 0.000 2.356 95 G HA2 0.378 4.338 3.960 -0.000 0.000 0.294 95 G HA3 0.378 4.338 3.960 -0.000 0.000 0.294 95 G C -1.224 173.650 174.900 -0.043 0.000 1.423 95 G CA -0.727 44.344 45.100 -0.049 0.000 0.806 95 G HN 0.367 nan 8.290 nan 0.000 0.527 96 I N 0.672 121.227 120.570 -0.026 0.000 2.692 96 I HA 0.142 4.312 4.170 -0.000 0.000 0.284 96 I C 0.657 176.764 176.117 -0.018 0.000 1.159 96 I CA 0.239 61.527 61.300 -0.021 0.000 1.423 96 I CB 0.738 38.733 38.000 -0.010 0.000 1.380 96 I HN 0.362 nan 8.210 nan 0.000 0.580 97 K N 4.849 125.232 120.400 -0.029 0.000 2.258 97 K HA 0.487 4.807 4.320 -0.000 0.000 0.284 97 K C 0.045 176.645 176.600 0.000 0.000 1.051 97 K CA -0.509 55.760 56.287 -0.030 0.000 0.923 97 K CB 1.110 33.569 32.500 -0.069 0.000 1.046 97 K HN 0.726 nan 8.250 nan 0.000 0.474 98 A N 3.035 125.877 122.820 0.038 0.000 2.531 98 A HA 0.193 4.513 4.320 -0.000 0.000 0.236 98 A C 0.053 177.652 177.584 0.025 0.000 1.062 98 A CA 0.350 52.416 52.037 0.048 0.000 0.760 98 A CB 0.135 19.189 19.000 0.090 0.000 0.995 98 A HN 0.721 nan 8.150 nan 0.000 0.501 99 T N -0.178 114.387 114.554 0.018 0.000 2.804 99 T HA 0.884 5.234 4.350 -0.000 0.000 0.290 99 T C -0.442 174.267 174.700 0.015 0.000 1.099 99 T CA 0.176 62.280 62.100 0.007 0.000 1.011 99 T CB 1.913 70.781 68.868 -0.000 0.000 1.291 99 T HN 2.183 nan 8.240 nan 0.000 0.523 100 A N 0.406 123.235 122.820 0.014 0.000 2.574 100 A HA 0.572 4.892 4.320 -0.000 0.000 0.298 100 A C -1.053 176.549 177.584 0.030 0.000 0.987 100 A CA -0.875 51.176 52.037 0.023 0.000 0.678 100 A CB 0.405 19.423 19.000 0.030 0.000 1.296 100 A HN 0.641 nan 8.150 nan 0.000 0.420 101 T N 2.303 116.877 114.554 0.033 0.000 2.770 101 T HA 0.521 4.871 4.350 -0.000 0.000 0.297 101 T C 0.037 174.767 174.700 0.050 0.000 0.997 101 T CA -0.124 62.001 62.100 0.041 0.000 0.949 101 T CB 0.413 69.299 68.868 0.031 0.000 0.941 101 T HN 0.544 nan 8.240 nan 0.000 0.457 102 L N 3.064 124.329 121.223 0.071 0.000 2.395 102 L HA 0.464 4.804 4.340 -0.000 0.000 0.269 102 L C 1.514 178.419 176.870 0.057 0.000 1.133 102 L CA 0.008 54.894 54.840 0.077 0.000 0.812 102 L CB 0.438 42.570 42.059 0.121 0.000 1.125 102 L HN 0.910 nan 8.230 nan 0.000 0.452 103 A N 3.008 125.855 122.820 0.046 0.000 4.797 103 A HA -0.346 3.974 4.320 -0.000 0.000 0.360 103 A C 0.734 178.335 177.584 0.028 0.000 1.577 103 A CA 2.431 54.487 52.037 0.032 0.000 0.755 103 A CB -1.906 17.111 19.000 0.028 0.000 1.437 103 A HN 0.676 nan 8.150 nan 0.000 0.416 104 T N 0.360 114.930 114.554 0.026 0.000 2.892 104 T HA 0.520 4.870 4.350 -0.000 0.000 0.311 104 T C -0.931 173.785 174.700 0.026 0.000 1.033 104 T CA 0.507 62.620 62.100 0.022 0.000 0.991 104 T CB 0.963 69.840 68.868 0.016 0.000 0.981 104 T HN 0.636 nan 8.240 nan 0.000 0.457 105 D N 1.411 121.827 120.400 0.028 0.000 2.802 105 D HA -0.113 4.527 4.640 -0.000 0.000 0.229 105 D C -0.309 176.016 176.300 0.042 0.000 1.203 105 D CA 0.576 54.594 54.000 0.030 0.000 0.712 105 D CB -0.875 39.938 40.800 0.023 0.000 0.973 105 D HN 0.358 nan 8.370 nan 0.000 0.407 106 V N 0.817 120.765 119.914 0.057 0.000 2.384 106 V HA 0.142 4.262 4.120 -0.000 0.000 0.257 106 V C 0.463 176.620 176.094 0.105 0.000 0.969 106 V CA -0.853 61.500 62.300 0.089 0.000 0.910 106 V CB 1.423 33.306 31.823 0.101 0.000 1.150 106 V HN 0.162 nan 8.190 nan 0.000 0.481 107 V N 3.148 123.107 119.914 0.075 0.000 2.486 107 V HA -0.010 4.110 4.120 -0.000 0.000 0.290 107 V C 0.393 176.516 176.094 0.047 0.000 0.991 107 V CA 0.605 62.936 62.300 0.051 0.000 1.142 107 V CB 0.710 32.550 31.823 0.029 0.000 0.926 107 V HN 0.485 nan 8.190 nan 0.000 0.472 108 V N 5.568 125.495 119.914 0.021 0.000 2.334 108 V HA 0.496 4.616 4.120 -0.000 0.000 0.281 108 V C 0.359 176.402 176.094 -0.085 0.000 1.016 108 V CA -0.315 61.944 62.300 -0.070 0.000 0.832 108 V CB 1.797 33.598 31.823 -0.036 0.000 0.999 108 V HN 1.012 nan 8.190 nan 0.000 0.439 109 T N 2.356 116.832 114.554 -0.130 0.000 2.885 109 T HA 0.836 5.186 4.350 -0.000 0.000 0.285 109 T C 0.098 174.733 174.700 -0.109 0.000 1.019 109 T CA -0.348 61.697 62.100 -0.091 0.000 1.010 109 T CB 1.893 70.712 68.868 -0.081 0.000 1.022 109 T HN 0.920 nan 8.240 nan 0.000 0.466 110 A N 2.135 124.930 122.820 -0.042 0.000 2.466 110 A HA 0.324 4.643 4.320 -0.000 0.000 0.238 110 A C 1.514 179.004 177.584 -0.157 0.000 1.074 110 A CA -0.259 51.785 52.037 0.013 0.000 0.774 110 A CB 0.040 19.127 19.000 0.145 0.000 1.015 110 A HN 1.116 nan 8.150 nan 0.000 0.498 111 K N 0.203 120.459 120.400 -0.240 0.000 2.001 111 K HA -0.085 4.235 4.320 -0.000 0.000 0.208 111 K C -0.350 175.785 176.600 -0.777 0.000 1.048 111 K CA 1.244 57.199 56.287 -0.553 0.000 0.932 111 K CB -0.235 31.833 32.500 -0.719 0.000 0.715 111 K HN 0.701 nan 8.250 nan 0.000 0.437 112 Y N -0.654 119.159 120.300 -0.812 0.000 2.596 112 Y HA 0.486 5.036 4.550 -0.000 0.000 0.326 112 Y C 0.687 176.218 175.900 -0.616 0.000 1.167 112 Y CA -1.028 56.575 58.100 -0.829 0.000 1.246 112 Y CB 0.932 38.623 38.460 -1.282 0.000 1.347 112 Y HN 0.035 nan 8.280 nan 0.000 0.515 113 G N -0.808 107.860 108.800 -0.221 0.000 2.367 113 G HA2 0.557 4.517 3.960 -0.000 0.000 0.314 113 G HA3 0.557 4.517 3.960 -0.000 0.000 0.314 113 G C -0.425 174.436 174.900 -0.064 0.000 1.130 113 G CA -0.090 44.937 45.100 -0.123 0.000 0.864 113 G HN 1.015 nan 8.290 nan 0.000 0.486 114 G N 0.427 109.244 108.800 0.029 0.000 2.321 114 G HA2 0.203 4.163 3.960 -0.000 0.000 0.339 114 G HA3 0.203 4.163 3.960 -0.000 0.000 0.339 114 G C 0.690 175.686 174.900 0.159 0.000 1.518 114 G CA -0.253 44.901 45.100 0.089 0.000 0.994 114 G HN 1.363 nan 8.290 nan 0.000 0.668 115 I N -0.860 119.777 120.570 0.112 0.000 2.800 115 I HA -0.052 4.118 4.170 -0.000 0.000 0.266 115 I C 1.895 178.094 176.117 0.136 0.000 1.249 115 I CA 1.001 62.361 61.300 0.101 0.000 1.458 115 I CB -0.546 37.487 38.000 0.054 0.000 1.093 115 I HN 0.225 nan 8.210 nan 0.000 0.466 116 V N 2.277 122.326 119.914 0.225 0.000 2.626 116 V HA -0.090 4.030 4.120 -0.000 0.000 0.252 116 V C 2.751 178.957 176.094 0.186 0.000 1.067 116 V CA 1.825 64.226 62.300 0.167 0.000 1.081 116 V CB -1.134 30.783 31.823 0.156 0.000 0.686 116 V HN 0.670 nan 8.190 nan 0.000 0.468 117 G N 0.522 109.564 108.800 0.403 0.000 2.471 117 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.219 117 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.219 117 G C 1.226 176.230 174.900 0.173 0.000 1.125 117 G CA 0.481 45.811 45.100 0.383 0.000 0.775 117 G HN 0.558 nan 8.290 nan 0.000 0.548 118 N N 0.793 119.565 118.700 0.120 0.000 2.521 118 N HA -0.006 4.734 4.740 -0.000 0.000 0.188 118 N C 1.598 177.133 175.510 0.043 0.000 1.146 118 N CA 0.525 53.617 53.050 0.069 0.000 0.893 118 N CB 0.326 38.845 38.487 0.054 0.000 0.975 118 N HN 0.194 nan 8.380 nan 0.000 0.451 119 S N 0.070 115.790 115.700 0.033 0.000 2.540 119 S HA 0.279 4.749 4.470 -0.000 0.000 0.218 119 S C 0.845 175.443 174.600 -0.003 0.000 0.977 119 S CA -0.333 57.868 58.200 0.001 0.000 0.918 119 S CB 0.813 63.997 63.200 -0.027 0.000 0.806 119 S HN 0.181 nan 8.310 nan 0.000 0.496 120 I N 2.269 122.853 120.570 0.022 0.000 2.474 120 I HA 0.282 4.452 4.170 -0.000 0.000 0.287 120 I C 0.336 176.486 176.117 0.055 0.000 1.048 120 I CA 0.139 61.459 61.300 0.034 0.000 1.383 120 I CB 1.320 39.369 38.000 0.082 0.000 1.412 120 I HN -0.024 nan 8.210 nan 0.000 0.531 121 T N 6.648 121.253 114.554 0.084 0.000 3.237 121 T HA 0.524 4.874 4.350 -0.000 0.000 0.319 121 T C -0.970 173.838 174.700 0.181 0.000 1.037 121 T CA -0.480 61.678 62.100 0.097 0.000 1.048 121 T CB 0.623 69.514 68.868 0.040 0.000 1.081 121 T HN 0.214 nan 8.240 nan 0.000 0.455 122 I N 4.735 125.396 120.570 0.152 0.000 2.331 122 I HA 0.485 4.655 4.170 -0.000 0.000 0.292 122 I C 0.221 176.440 176.117 0.170 0.000 0.998 122 I CA -0.254 61.161 61.300 0.192 0.000 1.267 122 I CB 1.528 39.646 38.000 0.196 0.000 1.386 122 I HN 0.511 nan 8.210 nan 0.000 0.476 123 K N 6.765 127.296 120.400 0.218 0.000 2.449 123 K HA 0.544 4.864 4.320 -0.000 0.000 0.257 123 K C -1.581 175.099 176.600 0.133 0.000 0.989 123 K CA -0.546 55.839 56.287 0.162 0.000 0.916 123 K CB 1.659 34.275 32.500 0.194 0.000 1.136 123 K HN 0.459 nan 8.250 nan 0.000 0.439 124 V N 4.546 124.512 119.914 0.086 0.000 2.370 124 V HA 0.344 4.464 4.120 -0.000 0.000 0.279 124 V C -1.033 175.085 176.094 0.040 0.000 1.029 124 V CA -0.136 62.198 62.300 0.057 0.000 0.870 124 V CB 1.212 33.060 31.823 0.041 0.000 0.984 124 V HN 0.861 nan 8.190 nan 0.000 0.451 125 D N 3.845 124.266 120.400 0.034 0.000 2.650 125 D HA 0.440 5.080 4.640 -0.000 0.000 0.255 125 D C -0.641 175.666 176.300 0.013 0.000 1.135 125 D CA -0.446 53.568 54.000 0.025 0.000 1.099 125 D CB 1.198 42.016 40.800 0.031 0.000 1.273 125 D HN 0.716 nan 8.370 nan 0.000 0.628 126 E N 0.220 120.425 120.200 0.010 0.000 2.242 126 E HA 0.185 4.535 4.350 -0.000 0.000 0.275 126 E C -0.571 176.031 176.600 0.003 0.000 1.002 126 E CA -0.461 55.941 56.400 0.004 0.000 0.841 126 E CB 1.074 30.776 29.700 0.003 0.000 1.109 126 E HN 0.292 nan 8.360 nan 0.000 0.394 127 N N 2.399 121.099 118.700 -0.001 0.000 2.497 127 N HA -0.017 4.723 4.740 -0.000 0.000 0.268 127 N C 1.210 176.720 175.510 -0.000 0.000 1.171 127 N CA -0.258 52.791 53.050 -0.002 0.000 0.948 127 N CB 0.951 39.434 38.487 -0.006 0.000 1.069 127 N HN 0.363 nan 8.380 nan 0.000 0.460 128 V N 1.716 121.631 119.914 0.001 0.000 2.649 128 V HA -0.037 4.083 4.120 -0.000 0.000 0.248 128 V C 1.322 177.416 176.094 0.000 0.000 1.054 128 V CA 0.929 63.230 62.300 0.002 0.000 1.073 128 V CB -0.110 31.715 31.823 0.004 0.000 0.699 128 V HN 0.486 nan 8.190 nan 0.000 0.463 129 V N 1.379 121.292 119.914 -0.001 0.000 3.577 129 V HA 0.349 4.469 4.120 -0.000 0.000 0.294 129 V C 0.223 176.316 176.094 -0.003 0.000 1.317 129 V CA 0.992 63.291 62.300 -0.001 0.000 1.169 129 V CB -1.138 30.684 31.823 -0.002 0.000 1.011 129 V HN 0.751 nan 8.190 nan 0.000 0.426 130 D N -1.088 119.311 120.400 -0.003 0.000 2.676 130 D HA -0.030 4.610 4.640 -0.000 0.000 0.170 130 D C 0.860 177.157 176.300 -0.005 0.000 1.202 130 D CA 0.211 54.209 54.000 -0.004 0.000 1.364 130 D CB 0.449 41.245 40.800 -0.006 0.000 1.411 130 D HN -0.109 nan 8.370 nan 0.000 0.664 131 S N 0.949 116.647 115.700 -0.003 0.000 2.488 131 S HA -0.180 4.290 4.470 -0.000 0.000 0.246 131 S C 1.777 176.374 174.600 -0.005 0.000 0.992 131 S CA 2.034 60.233 58.200 -0.003 0.000 0.963 131 S CB 0.025 63.224 63.200 -0.002 0.000 0.754 131 S HN 0.524 nan 8.310 nan 0.000 0.519 132 S N -0.517 115.179 115.700 -0.006 0.000 2.527 132 S HA 0.209 4.679 4.470 -0.000 0.000 0.222 132 S C 0.576 175.169 174.600 -0.011 0.000 0.985 132 S CA -0.148 58.048 58.200 -0.008 0.000 0.921 132 S CB 0.027 63.222 63.200 -0.008 0.000 0.772 132 S HN 0.429 nan 8.310 nan 0.000 0.529 133 K N 0.433 120.826 120.400 -0.012 0.000 2.211 133 K HA 0.629 4.949 4.320 -0.000 0.000 0.237 133 K C -1.127 175.464 176.600 -0.015 0.000 1.002 133 K CA -0.889 55.388 56.287 -0.017 0.000 0.885 133 K CB 0.954 33.443 32.500 -0.018 0.000 1.136 133 K HN -0.050 nan 8.250 nan 0.000 0.448 134 K N 0.474 120.861 120.400 -0.022 0.000 2.281 134 K HA 0.291 4.611 4.320 -0.000 0.000 0.242 134 K C -1.328 175.261 176.600 -0.019 0.000 0.971 134 K CA -0.701 55.576 56.287 -0.018 0.000 0.834 134 K CB 1.148 33.635 32.500 -0.022 0.000 1.181 134 K HN 0.300 nan 8.250 nan 0.000 0.435 135 D N 1.310 121.706 120.400 -0.007 0.000 2.505 135 D HA 0.162 4.802 4.640 -0.000 0.000 0.242 135 D C -0.965 175.339 176.300 0.006 0.000 1.136 135 D CA -0.238 53.760 54.000 -0.003 0.000 0.954 135 D CB 0.543 41.349 40.800 0.009 0.000 1.002 135 D HN 0.093 nan 8.370 nan 0.000 0.512 136 V N 2.497 122.403 119.914 -0.013 0.000 2.405 136 V HA 0.278 4.398 4.120 -0.000 0.000 0.264 136 V C 0.926 177.031 176.094 0.019 0.000 1.048 136 V CA -0.199 62.102 62.300 0.003 0.000 0.966 136 V CB 0.641 32.427 31.823 -0.062 0.000 1.015 136 V HN 0.489 nan 8.190 nan 0.000 0.477 137 T N 1.569 116.149 114.554 0.045 0.000 2.887 137 T HA 0.618 4.968 4.350 -0.000 0.000 0.288 137 T C -0.291 174.397 174.700 -0.019 0.000 1.021 137 T CA -0.574 61.504 62.100 -0.036 0.000 1.000 137 T CB 1.945 70.732 68.868 -0.135 0.000 1.034 137 T HN 0.484 nan 8.240 nan 0.000 0.467 138 T N 3.119 117.598 114.554 -0.125 0.000 2.797 138 T HA 0.578 4.928 4.350 -0.000 0.000 0.279 138 T C -1.328 173.197 174.700 -0.292 0.000 0.991 138 T CA -0.323 61.739 62.100 -0.063 0.000 0.979 138 T CB 0.476 69.356 68.868 0.019 0.000 0.943 138 T HN 0.598 nan 8.240 nan 0.000 0.444 139 Y N 1.526 121.775 120.300 -0.086 0.000 2.487 139 Y HA 0.713 5.263 4.550 -0.000 0.000 0.337 139 Y C -0.284 175.504 175.900 -0.187 0.000 1.076 139 Y CA -1.513 56.509 58.100 -0.130 0.000 1.115 139 Y CB 1.499 39.913 38.460 -0.077 0.000 1.235 139 Y HN 0.402 nan 8.280 nan 0.000 0.468 140 L N 3.350 124.533 121.223 -0.065 0.000 2.492 140 L HA 0.459 4.799 4.340 -0.000 0.000 0.258 140 L C -0.853 175.975 176.870 -0.070 0.000 1.028 140 L CA -0.446 54.306 54.840 -0.148 0.000 0.900 140 L CB 0.085 41.930 42.059 -0.356 0.000 1.191 140 L HN 0.853 nan 8.230 nan 0.000 0.459 141 N N 2.945 121.631 118.700 -0.025 0.000 2.862 141 N HA -0.168 4.572 4.740 -0.000 0.000 0.246 141 N C -0.159 175.355 175.510 0.006 0.000 1.101 141 N CA 0.543 53.583 53.050 -0.016 0.000 0.679 141 N CB -0.472 38.000 38.487 -0.026 0.000 0.986 141 N HN 0.692 nan 8.380 nan 0.000 0.557 142 E N -2.064 118.150 120.200 0.025 0.000 3.496 142 E HA -0.175 4.175 4.350 -0.000 0.000 0.300 142 E C -0.787 175.913 176.600 0.167 0.000 0.877 142 E CA 1.275 57.688 56.400 0.023 0.000 1.050 142 E CB -0.867 28.816 29.700 -0.028 0.000 1.532 142 E HN 0.445 nan 8.360 nan 0.000 0.447 143 V N -0.557 119.470 119.914 0.189 0.000 2.483 143 V HA 0.789 4.909 4.120 -0.000 0.000 0.297 143 V C -0.049 176.047 176.094 0.003 0.000 1.027 143 V CA -0.283 62.090 62.300 0.121 0.000 0.855 143 V CB 1.534 33.366 31.823 0.014 0.000 0.995 143 V HN 0.331 nan 8.190 nan 0.000 0.424 144 A N 4.780 127.510 122.820 -0.150 0.000 2.531 144 A HA 0.462 4.782 4.320 -0.000 0.000 0.236 144 A C 0.816 178.217 177.584 -0.305 0.000 1.062 144 A CA 0.683 52.425 52.037 -0.493 0.000 0.760 144 A CB 0.712 19.435 19.000 -0.462 0.000 0.995 144 A HN 2.032 nan 8.150 nan 0.000 0.501 145 V N -1.753 117.952 119.914 -0.348 0.000 3.392 145 V HA 0.431 4.551 4.120 -0.000 0.000 0.285 145 V C -0.291 175.739 176.094 -0.106 0.000 1.582 145 V CA 0.665 62.803 62.300 -0.271 0.000 1.034 145 V CB -0.262 31.165 31.823 -0.660 0.000 0.846 145 V HN 0.880 nan 8.190 nan 0.000 0.431 146 D N 0.484 120.810 120.400 -0.123 0.000 2.726 146 D HA 0.368 5.008 4.640 -0.000 0.000 0.203 146 D C -1.190 175.083 176.300 -0.045 0.000 1.297 146 D CA -0.113 53.883 54.000 -0.008 0.000 0.863 146 D CB 1.818 42.689 40.800 0.119 0.000 1.669 146 D HN 0.314 nan 8.370 nan 0.000 0.561 147 K N 2.979 123.360 120.400 -0.032 0.000 2.426 147 K HA 0.529 4.849 4.320 -0.000 0.000 0.254 147 K C -1.202 175.390 176.600 -0.014 0.000 0.936 147 K CA -0.561 55.703 56.287 -0.039 0.000 0.801 147 K CB 1.396 33.859 32.500 -0.061 0.000 1.139 147 K HN 0.431 nan 8.250 nan 0.000 0.424 148 Q N 2.484 122.273 119.800 -0.019 0.000 2.330 148 Q HA 0.344 4.684 4.340 -0.000 0.000 0.269 148 Q C -1.152 174.821 176.000 -0.045 0.000 1.022 148 Q CA -0.984 54.800 55.803 -0.033 0.000 0.796 148 Q CB 2.713 31.416 28.738 -0.059 0.000 1.271 148 Q HN 0.306 nan 8.270 nan 0.000 0.450 149 V N 4.057 123.949 119.914 -0.036 0.000 2.247 149 V HA 0.236 4.356 4.120 -0.000 0.000 0.262 149 V C 0.012 176.081 176.094 -0.041 0.000 1.096 149 V CA -0.433 61.847 62.300 -0.033 0.000 0.895 149 V CB 0.374 32.185 31.823 -0.021 0.000 1.141 149 V HN 0.555 nan 8.190 nan 0.000 0.478 150 V N 1.844 121.724 119.914 -0.058 0.000 3.019 150 V HA 0.960 5.080 4.120 -0.000 0.000 0.317 150 V C 0.884 176.947 176.094 -0.051 0.000 1.094 150 V CA 0.238 62.500 62.300 -0.063 0.000 1.000 150 V CB 1.840 33.604 31.823 -0.098 0.000 1.060 150 V HN 0.513 nan 8.190 nan 0.000 0.443 151 G N 0.195 108.968 108.800 -0.045 0.000 2.641 151 G HA2 0.270 4.230 3.960 -0.000 0.000 0.207 151 G HA3 0.270 4.230 3.960 -0.000 0.000 0.207 151 G C 0.619 175.496 174.900 -0.038 0.000 1.137 151 G CA 0.884 45.963 45.100 -0.034 0.000 0.824 151 G HN 0.958 nan 8.290 nan 0.000 0.547 152 T N -1.054 113.473 114.554 -0.044 0.000 2.942 152 T HA 0.556 4.906 4.350 -0.000 0.000 0.289 152 T C 1.541 176.202 174.700 -0.065 0.000 1.044 152 T CA 0.372 62.446 62.100 -0.043 0.000 1.023 152 T CB 1.637 70.486 68.868 -0.031 0.000 1.123 152 T HN 0.200 nan 8.240 nan 0.000 0.512 153 A N 1.798 124.584 122.820 -0.057 0.000 1.972 153 A HA 0.020 4.340 4.320 -0.000 0.000 0.219 153 A C 2.463 180.000 177.584 -0.078 0.000 1.169 153 A CA 2.227 54.219 52.037 -0.074 0.000 0.635 153 A CB -1.018 17.963 19.000 -0.032 0.000 0.810 153 A HN 0.773 nan 8.150 nan 0.000 0.446 154 S N -0.174 115.498 115.700 -0.047 0.000 2.402 154 S HA -0.133 4.337 4.470 -0.000 0.000 0.229 154 S C 1.528 176.099 174.600 -0.049 0.000 1.021 154 S CA 1.251 59.431 58.200 -0.033 0.000 0.974 154 S CB -0.279 62.910 63.200 -0.018 0.000 0.800 154 S HN 0.729 nan 8.310 nan 0.000 0.484 155 E N 0.650 120.811 120.200 -0.065 0.000 2.510 155 E HA -0.002 4.348 4.350 -0.000 0.000 0.202 155 E C -0.347 176.190 176.600 -0.104 0.000 1.072 155 E CA 0.180 56.539 56.400 -0.068 0.000 0.883 155 E CB -0.225 29.437 29.700 -0.063 0.000 0.818 155 E HN 0.457 nan 8.360 nan 0.000 0.548 156 L N 2.102 123.223 121.223 -0.169 0.000 2.315 156 L HA 0.234 4.574 4.340 -0.000 0.000 0.283 156 L C -0.010 176.806 176.870 -0.090 0.000 1.089 156 L CA -0.190 54.470 54.840 -0.300 0.000 0.833 156 L CB 0.535 42.157 42.059 -0.729 0.000 1.170 156 L HN -0.034 nan 8.230 nan 0.000 0.442 157 I N 2.832 123.397 120.570 -0.007 0.000 2.331 157 I HA 0.169 4.339 4.170 -0.000 0.000 0.292 157 I C -0.063 176.191 176.117 0.228 0.000 0.998 157 I CA -0.920 60.437 61.300 0.095 0.000 1.267 157 I CB 1.207 39.239 38.000 0.054 0.000 1.386 157 I HN 0.463 nan 8.210 nan 0.000 0.476 158 D N 4.451 124.987 120.400 0.226 0.000 2.506 158 D HA 0.104 4.743 4.640 -0.000 0.000 0.234 158 D C 0.269 176.640 176.300 0.118 0.000 1.143 158 D CA 0.485 54.594 54.000 0.181 0.000 0.871 158 D CB 0.677 41.509 40.800 0.054 0.000 1.190 158 D HN 0.631 nan 8.370 nan 0.000 0.459 159 S N 0.638 116.393 115.700 0.092 0.000 2.798 159 S HA 0.335 4.805 4.470 -0.000 0.000 0.312 159 S C 0.477 175.055 174.600 -0.036 0.000 1.122 159 S CA -0.966 57.279 58.200 0.076 0.000 0.949 159 S CB 0.871 64.181 63.200 0.184 0.000 1.235 159 S HN 0.410 nan 8.310 nan 0.000 0.552 160 N N -0.465 118.173 118.700 -0.103 0.000 2.485 160 N HA 0.163 4.903 4.740 -0.000 0.000 0.199 160 N C -0.437 174.758 175.510 -0.526 0.000 1.236 160 N CA 0.409 53.270 53.050 -0.316 0.000 0.852 160 N CB -0.124 38.141 38.487 -0.370 0.000 1.018 160 N HN 0.501 nan 8.380 nan 0.000 0.457 161 Y N -1.161 119.199 120.300 0.101 0.000 2.640 161 Y HA 0.180 4.730 4.550 -0.000 0.000 0.274 161 Y C 0.595 176.533 175.900 0.064 0.000 1.164 161 Y CA -0.464 57.741 58.100 0.176 0.000 1.189 161 Y CB 0.529 39.038 38.460 0.081 0.000 1.333 161 Y HN -0.157 nan 8.280 nan 0.000 0.494 162 V N -2.837 117.095 119.914 0.029 0.000 3.158 162 V HA 0.856 4.975 4.120 -0.000 0.000 0.311 162 V C -0.475 175.390 176.094 -0.381 0.000 1.181 162 V CA -1.097 61.062 62.300 -0.234 0.000 1.054 162 V CB 1.986 33.529 31.823 -0.467 0.000 1.085 162 V HN -0.128 nan 8.190 nan 0.000 0.446 163 S N 1.070 116.471 115.700 -0.498 0.000 2.775 163 S HA 0.677 5.147 4.470 -0.000 0.000 0.277 163 S C -1.037 173.355 174.600 -0.346 0.000 1.156 163 S CA -0.254 57.742 58.200 -0.340 0.000 1.081 163 S CB 0.543 63.631 63.200 -0.187 0.000 1.054 163 S HN 0.555 nan 8.310 nan 0.000 0.482 164 F N 2.266 122.218 119.950 0.004 0.000 2.412 164 F HA 0.411 4.938 4.527 -0.000 0.000 0.348 164 F C 0.979 176.779 175.800 0.000 0.000 1.102 164 F CA -0.474 57.530 58.000 0.007 0.000 1.196 164 F CB 0.669 39.675 39.000 0.010 0.000 1.144 164 F HN 0.204 nan 8.300 nan 0.000 0.541 165 K N 1.816 122.316 120.400 0.166 0.000 2.473 165 K HA 0.169 4.489 4.320 -0.000 0.000 0.246 165 K C -0.226 176.425 176.600 0.085 0.000 1.011 165 K CA -0.427 55.916 56.287 0.092 0.000 0.984 165 K CB 1.311 33.840 32.500 0.048 0.000 1.250 165 K HN 0.646 nan 8.250 nan 0.000 0.454 166 T N 1.532 116.130 114.554 0.074 0.000 2.799 166 T HA 0.063 4.413 4.350 -0.000 0.000 0.296 166 T C 0.167 174.886 174.700 0.032 0.000 0.947 166 T CA 0.377 62.505 62.100 0.048 0.000 1.141 166 T CB 0.566 69.453 68.868 0.032 0.000 0.891 166 T HN 0.486 nan 8.240 nan 0.000 0.533 167 T N 2.753 117.323 114.554 0.027 0.000 2.804 167 T HA 0.445 4.795 4.350 -0.000 0.000 0.272 167 T C 1.613 176.322 174.700 0.014 0.000 0.986 167 T CA -0.318 61.794 62.100 0.020 0.000 0.999 167 T CB 1.005 69.885 68.868 0.020 0.000 1.307 167 T HN 0.602 nan 8.240 nan 0.000 0.586 168 S N 0.666 116.373 115.700 0.011 0.000 2.338 168 S HA -0.058 4.412 4.470 -0.000 0.000 0.218 168 S C 1.838 176.442 174.600 0.008 0.000 1.032 168 S CA 1.793 59.998 58.200 0.008 0.000 0.999 168 S CB -0.711 62.493 63.200 0.007 0.000 0.905 168 S HN 0.950 nan 8.310 nan 0.000 0.439 169 T N 0.875 115.435 114.554 0.009 0.000 3.509 169 T HA 0.181 4.531 4.350 -0.000 0.000 0.250 169 T C 0.230 174.936 174.700 0.011 0.000 1.076 169 T CA -0.180 61.925 62.100 0.009 0.000 0.966 169 T CB -0.541 68.333 68.868 0.009 0.000 1.046 169 T HN -0.013 nan 8.240 nan 0.000 0.591 170 S N 2.641 118.348 115.700 0.011 0.000 2.465 170 S HA 0.223 4.693 4.470 -0.000 0.000 0.280 170 S C 0.060 174.663 174.600 0.006 0.000 1.232 170 S CA -0.286 57.921 58.200 0.012 0.000 1.066 170 S CB 0.279 63.486 63.200 0.012 0.000 0.929 170 S HN 0.463 nan 8.310 nan 0.000 0.494 171 E N 2.639 122.843 120.200 0.008 0.000 2.281 171 E HA 0.182 4.532 4.350 -0.000 0.000 0.266 171 E C -1.011 175.592 176.600 0.004 0.000 0.893 171 E CA -0.390 56.012 56.400 0.003 0.000 0.798 171 E CB 1.641 31.343 29.700 0.005 0.000 1.245 171 E HN 0.510 nan 8.360 nan 0.000 0.410 172 L N 3.693 124.914 121.223 -0.004 0.000 2.462 172 L HA 0.085 4.425 4.340 -0.000 0.000 0.283 172 L C -0.041 176.830 176.870 0.000 0.000 1.166 172 L CA -0.033 54.804 54.840 -0.005 0.000 0.964 172 L CB 0.123 42.168 42.059 -0.023 0.000 1.294 172 L HN 0.282 nan 8.230 nan 0.000 0.449 173 Q N 1.914 121.719 119.800 0.009 0.000 2.259 173 Q HA 0.180 4.520 4.340 -0.000 0.000 0.246 173 Q C -0.338 175.670 176.000 0.013 0.000 0.920 173 Q CA -0.389 55.420 55.803 0.009 0.000 0.895 173 Q CB 1.441 30.186 28.738 0.012 0.000 1.220 173 Q HN 0.505 nan 8.270 nan 0.000 0.439 174 Q N 0.451 120.258 119.800 0.011 0.000 2.330 174 Q HA 0.345 4.685 4.340 -0.000 0.000 0.279 174 Q C -0.859 175.152 176.000 0.019 0.000 1.024 174 Q CA 0.142 55.954 55.803 0.015 0.000 0.900 174 Q CB 1.044 29.789 28.738 0.011 0.000 1.221 174 Q HN 0.340 nan 8.270 nan 0.000 0.396 175 S N 1.572 117.287 115.700 0.025 0.000 2.538 175 S HA 0.411 4.881 4.470 -0.000 0.000 0.288 175 S C 0.357 174.971 174.600 0.023 0.000 1.108 175 S CA -0.178 58.038 58.200 0.026 0.000 0.971 175 S CB 1.172 64.393 63.200 0.036 0.000 1.041 175 S HN 0.828 nan 8.310 nan 0.000 0.483 176 S N 2.831 118.538 115.700 0.012 0.000 2.428 176 S HA 0.332 4.802 4.470 -0.000 0.000 0.230 176 S C 1.003 175.598 174.600 -0.008 0.000 1.014 176 S CA 0.434 58.635 58.200 0.001 0.000 0.957 176 S CB -0.263 62.933 63.200 -0.007 0.000 0.784 176 S HN 1.743 nan 8.310 nan 0.000 0.499 177 G N 0.538 109.339 108.800 0.001 0.000 2.225 177 G HA2 0.289 4.249 3.960 -0.000 0.000 0.184 177 G HA3 0.289 4.249 3.960 -0.000 0.000 0.184 177 G C -0.724 174.178 174.900 0.004 0.000 2.549 177 G CA -0.361 44.736 45.100 -0.006 0.000 0.925 177 G HN 0.363 nan 8.290 nan 0.000 0.550 178 T N 0.601 115.172 114.554 0.029 0.000 2.744 178 T HA 0.670 5.020 4.350 -0.000 0.000 0.291 178 T C 0.580 175.301 174.700 0.036 0.000 0.957 178 T CA 0.405 62.523 62.100 0.030 0.000 1.002 178 T CB 1.245 70.138 68.868 0.040 0.000 0.919 178 T HN 0.976 nan 8.240 nan 0.000 0.468 179 T N 5.053 119.621 114.554 0.023 0.000 2.907 179 T HA 0.590 4.940 4.350 -0.000 0.000 0.284 179 T C -0.022 174.697 174.700 0.031 0.000 1.004 179 T CA -0.834 61.282 62.100 0.027 0.000 1.063 179 T CB 0.314 69.189 68.868 0.012 0.000 0.992 179 T HN 0.445 nan 8.240 nan 0.000 0.483 180 L N 4.030 125.276 121.223 0.040 0.000 2.453 180 L HA 0.707 5.047 4.340 -0.000 0.000 0.261 180 L C 0.352 177.244 176.870 0.038 0.000 1.179 180 L CA 0.161 55.025 54.840 0.040 0.000 0.813 180 L CB 1.035 43.127 42.059 0.054 0.000 1.110 180 L HN 0.542 nan 8.230 nan 0.000 0.466 181 V N -0.530 119.405 119.914 0.034 0.000 3.204 181 V HA 0.721 4.841 4.120 -0.000 0.000 0.298 181 V C 0.244 176.354 176.094 0.027 0.000 1.328 181 V CA 0.327 62.645 62.300 0.030 0.000 1.035 181 V CB 1.926 33.762 31.823 0.021 0.000 1.095 181 V HN 0.847 nan 8.190 nan 0.000 0.442 182 G N 2.847 111.661 108.800 0.025 0.000 2.179 182 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.220 182 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.220 182 G C 0.634 175.548 174.900 0.023 0.000 0.990 182 G CA 0.133 45.244 45.100 0.019 0.000 0.646 182 G HN 1.945 nan 8.290 nan 0.000 0.517 183 G N 0.535 109.359 108.800 0.039 0.000 2.378 183 G HA2 0.658 4.618 3.960 -0.000 0.000 0.255 183 G HA3 0.658 4.618 3.960 -0.000 0.000 0.255 183 G C 0.267 175.189 174.900 0.038 0.000 1.270 183 G CA 1.295 46.426 45.100 0.051 0.000 0.876 183 G HN 1.591 nan 8.290 nan 0.000 0.521 184 T N -0.718 113.852 114.554 0.026 0.000 2.853 184 T HA 0.568 4.918 4.350 -0.000 0.000 0.311 184 T C -1.738 172.963 174.700 0.001 0.000 1.307 184 T CA -1.092 61.016 62.100 0.013 0.000 1.019 184 T CB 2.540 71.409 68.868 0.003 0.000 1.264 184 T HN 0.453 nan 8.240 nan 0.000 0.497 185 D N 2.018 122.413 120.400 -0.008 0.000 2.629 185 D HA 0.240 4.880 4.640 -0.000 0.000 0.250 185 D C -0.134 176.146 176.300 -0.033 0.000 1.126 185 D CA -0.648 53.336 54.000 -0.027 0.000 0.852 185 D CB 1.703 42.482 40.800 -0.035 0.000 1.335 185 D HN 0.800 nan 8.370 nan 0.000 0.518 186 Q N 1.226 121.003 119.800 -0.039 0.000 2.314 186 Q HA 0.311 4.651 4.340 -0.000 0.000 0.258 186 Q C -2.288 173.688 176.000 -0.041 0.000 0.954 186 Q CA -1.478 54.304 55.803 -0.035 0.000 0.890 186 Q CB 0.570 29.288 28.738 -0.033 0.000 1.210 186 Q HN 0.201 nan 8.270 nan 0.000 0.410 187 P HA -0.074 nan 4.420 nan 0.000 0.269 187 P C -0.266 177.016 177.300 -0.031 0.000 1.211 187 P CA -0.170 62.912 63.100 -0.031 0.000 0.781 187 P CB 0.440 32.128 31.700 -0.019 0.000 0.877 188 V N 1.611 121.507 119.914 -0.029 0.000 2.479 188 V HA 0.131 4.251 4.120 -0.000 0.000 0.281 188 V C 1.323 177.436 176.094 0.031 0.000 1.031 188 V CA 0.245 62.532 62.300 -0.021 0.000 1.038 188 V CB 0.095 31.907 31.823 -0.018 0.000 0.981 188 V HN 0.754 nan 8.190 nan 0.000 0.478 189 T N 2.662 117.238 114.554 0.037 0.000 2.902 189 T HA 0.230 4.580 4.350 -0.000 0.000 0.283 189 T C 1.101 175.884 174.700 0.138 0.000 1.009 189 T CA -0.422 61.715 62.100 0.063 0.000 1.051 189 T CB 0.655 69.546 68.868 0.038 0.000 0.999 189 T HN 0.738 nan 8.240 nan 0.000 0.474 190 N N 1.934 120.708 118.700 0.124 0.000 2.430 190 N HA -0.083 4.657 4.740 -0.000 0.000 0.186 190 N C 1.650 177.278 175.510 0.197 0.000 1.032 190 N CA 0.539 53.687 53.050 0.163 0.000 0.893 190 N CB -0.162 38.364 38.487 0.064 0.000 0.957 190 N HN 0.546 nan 8.380 nan 0.000 0.442 191 L N 0.828 122.132 121.223 0.134 0.000 2.093 191 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 191 L C 1.614 178.568 176.870 0.139 0.000 1.085 191 L CA 1.157 56.068 54.840 0.118 0.000 0.755 191 L CB -0.185 41.918 42.059 0.073 0.000 0.904 191 L HN 0.090 nan 8.230 nan 0.000 0.435 192 D N -1.019 119.453 120.400 0.119 0.000 2.149 192 D HA -0.237 4.403 4.640 -0.000 0.000 0.198 192 D C 2.013 178.380 176.300 0.111 0.000 0.990 192 D CA 1.510 55.555 54.000 0.075 0.000 0.839 192 D CB -0.285 40.491 40.800 -0.041 0.000 0.948 192 D HN 0.336 nan 8.370 nan 0.000 0.460 193 Y N 0.972 121.346 120.300 0.123 0.000 2.333 193 Y HA -0.141 4.409 4.550 -0.000 0.000 0.290 193 Y C 2.628 178.702 175.900 0.290 0.000 1.144 193 Y CA 1.203 59.431 58.100 0.213 0.000 1.228 193 Y CB -0.370 38.168 38.460 0.130 0.000 0.985 193 Y HN -0.045 nan 8.280 nan 0.000 0.542 194 T N -0.902 113.846 114.554 0.323 0.000 2.770 194 T HA -0.170 4.180 4.350 -0.000 0.000 0.263 194 T C 1.856 176.608 174.700 0.087 0.000 1.039 194 T CA 1.098 63.313 62.100 0.191 0.000 1.142 194 T CB -0.168 68.785 68.868 0.143 0.000 0.868 194 T HN 0.185 nan 8.240 nan 0.000 0.435 195 Q N 0.312 120.173 119.800 0.100 0.000 2.181 195 Q HA -0.036 4.304 4.340 -0.000 0.000 0.205 195 Q C 1.930 177.872 176.000 -0.097 0.000 0.980 195 Q CA 1.137 56.974 55.803 0.057 0.000 0.862 195 Q CB -0.561 28.259 28.738 0.137 0.000 0.905 195 Q HN 0.683 nan 8.270 nan 0.000 0.429 196 F N 0.394 120.132 119.950 -0.353 0.000 2.102 196 F HA -0.200 4.327 4.527 -0.000 0.000 0.298 196 F C 1.836 177.296 175.800 -0.565 0.000 1.105 196 F CA 1.021 58.454 58.000 -0.944 0.000 1.239 196 F CB -0.086 38.572 39.000 -0.570 0.000 0.991 196 F HN -0.004 nan 8.300 nan 0.000 0.474 197 L N 0.001 120.838 121.223 -0.643 0.000 2.191 197 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 197 L C 2.188 178.681 176.870 -0.628 0.000 1.103 197 L CA 0.570 54.812 54.840 -0.997 0.000 0.769 197 L CB -0.657 40.906 42.059 -0.827 0.000 0.908 197 L HN 0.148 nan 8.230 nan 0.000 0.438 198 V N -1.520 118.215 119.914 -0.299 0.000 2.407 198 V HA -0.166 3.954 4.120 -0.000 0.000 0.245 198 V C 2.408 178.478 176.094 -0.040 0.000 1.041 198 V CA 1.713 63.957 62.300 -0.093 0.000 1.040 198 V CB -0.149 31.657 31.823 -0.028 0.000 0.671 198 V HN 0.328 nan 8.190 nan 0.000 0.455 199 S N 0.488 116.132 115.700 -0.093 0.000 2.453 199 S HA 0.008 4.478 4.470 -0.000 0.000 0.231 199 S C 2.158 176.896 174.600 0.230 0.000 1.005 199 S CA 1.013 59.266 58.200 0.087 0.000 0.949 199 S CB -0.290 62.966 63.200 0.094 0.000 0.774 199 S HN 0.610 nan 8.310 nan 0.000 0.510 200 A N 1.803 124.638 122.820 0.025 0.000 2.070 200 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 200 A C 1.914 179.694 177.584 0.326 0.000 1.159 200 A CA 1.082 53.187 52.037 0.113 0.000 0.656 200 A CB -0.391 18.407 19.000 -0.336 0.000 0.800 200 A HN 0.544 nan 8.150 nan 0.000 0.453 201 E N -0.637 119.715 120.200 0.253 0.000 2.150 201 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 201 E C 1.541 178.226 176.600 0.142 0.000 0.985 201 E CA 0.774 57.317 56.400 0.238 0.000 0.814 201 E CB -0.205 29.606 29.700 0.186 0.000 0.752 201 E HN 0.582 nan 8.360 nan 0.000 0.466 202 G N 1.010 109.877 108.800 0.112 0.000 3.518 202 G HA2 0.016 3.976 3.960 -0.000 0.000 0.273 202 G HA3 0.016 3.976 3.960 -0.000 0.000 0.273 202 G C 0.021 174.879 174.900 -0.070 0.000 1.199 202 G CA -0.185 44.931 45.100 0.027 0.000 0.899 202 G HN -0.071 nan 8.290 nan 0.000 0.533 203 E N 0.008 120.193 120.200 -0.024 0.000 2.288 203 E HA 0.276 4.625 4.350 -0.000 0.000 0.268 203 E C -1.239 175.381 176.600 0.033 0.000 0.885 203 E CA -0.731 55.607 56.400 -0.103 0.000 0.767 203 E CB 1.907 31.477 29.700 -0.217 0.000 1.220 203 E HN 0.332 nan 8.360 nan 0.000 0.427 204 Y N 2.616 122.852 120.300 -0.107 0.000 2.434 204 Y HA 0.334 4.884 4.550 -0.000 0.000 0.341 204 Y C -0.008 175.827 175.900 -0.109 0.000 0.965 204 Y CA -0.975 57.002 58.100 -0.204 0.000 1.205 204 Y CB 0.329 38.709 38.460 -0.132 0.000 1.121 204 Y HN 0.352 nan 8.280 nan 0.000 0.507 205 F N -0.933 119.063 119.950 0.078 0.000 2.643 205 F HA 0.523 5.050 4.527 -0.000 0.000 0.314 205 F C -0.593 175.219 175.800 0.020 0.000 1.096 205 F CA -1.568 56.448 58.000 0.027 0.000 0.953 205 F CB 1.116 40.120 39.000 0.008 0.000 1.345 205 F HN 0.152 nan 8.300 nan 0.000 0.468 206 D N -0.295 120.260 120.400 0.259 0.000 2.269 206 D HA 0.160 4.800 4.640 -0.000 0.000 0.220 206 D C -0.056 176.406 176.300 0.271 0.000 0.962 206 D CA 1.297 55.383 54.000 0.144 0.000 0.884 206 D CB 0.332 41.176 40.800 0.073 0.000 1.023 206 D HN 0.592 nan 8.370 nan 0.000 0.484 207 T N 0.000 114.761 114.554 0.345 0.000 2.907 207 T HA 0.561 4.911 4.350 -0.000 0.000 0.292 207 T C -0.933 173.919 174.700 0.252 0.000 1.043 207 T CA -0.630 61.641 62.100 0.285 0.000 1.003 207 T CB 2.296 71.239 68.868 0.125 0.000 1.084 207 T HN -0.053 nan 8.240 nan 0.000 0.483 208 I N 1.689 122.399 120.570 0.233 0.000 2.498 208 I HA 0.742 4.912 4.170 -0.000 0.000 0.290 208 I C -0.778 175.538 176.117 0.332 0.000 1.032 208 I CA -0.926 60.454 61.300 0.134 0.000 1.073 208 I CB 1.117 39.173 38.000 0.093 0.000 1.251 208 I HN 0.774 nan 8.210 nan 0.000 0.426 209 A N 6.585 129.573 122.820 0.280 0.000 2.312 209 A HA 0.561 4.881 4.320 -0.000 0.000 0.326 209 A C -1.256 176.470 177.584 0.236 0.000 1.172 209 A CA -0.345 51.825 52.037 0.222 0.000 0.821 209 A CB 0.561 19.633 19.000 0.120 0.000 1.166 209 A HN 0.738 nan 8.150 nan 0.000 0.493 210 F N 4.587 124.409 119.950 -0.213 0.000 2.531 210 F HA 0.366 4.893 4.527 -0.000 0.000 0.333 210 F C -1.760 173.913 175.800 -0.211 0.000 1.292 210 F CA -1.957 55.788 58.000 -0.425 0.000 1.184 210 F CB 2.014 40.107 39.000 -1.512 0.000 1.426 210 F HN 0.453 nan 8.300 nan 0.000 0.559 211 P HA -0.059 nan 4.420 nan 0.000 0.285 211 P C 0.290 177.508 177.300 -0.137 0.000 1.521 211 P CA 0.608 63.669 63.100 -0.065 0.000 0.792 211 P CB 0.107 31.806 31.700 -0.002 0.000 1.613 212 V N 0.417 120.031 119.914 -0.500 0.000 2.715 212 V HA 0.079 4.199 4.120 -0.000 0.000 0.299 212 V C 0.791 176.630 176.094 -0.424 0.000 1.054 212 V CA -0.100 61.785 62.300 -0.693 0.000 1.077 212 V CB 0.931 32.114 31.823 -1.067 0.000 0.972 212 V HN 0.240 nan 8.190 nan 0.000 0.484 213 S N 4.292 119.678 115.700 -0.524 0.000 2.558 213 S HA 0.009 4.479 4.470 -0.000 0.000 0.288 213 S C 1.403 175.795 174.600 -0.346 0.000 1.318 213 S CA 0.461 58.287 58.200 -0.624 0.000 1.056 213 S CB 0.877 63.797 63.200 -0.467 0.000 0.853 213 S HN 0.969 nan 8.310 nan 0.000 0.505 214 S N 3.624 119.161 115.700 -0.272 0.000 2.528 214 S HA -0.074 4.396 4.470 -0.000 0.000 0.244 214 S C 1.878 176.425 174.600 -0.088 0.000 0.982 214 S CA 0.899 59.035 58.200 -0.107 0.000 0.953 214 S CB -0.279 62.897 63.200 -0.040 0.000 0.754 214 S HN 0.689 nan 8.310 nan 0.000 0.529 215 S N 1.627 117.251 115.700 -0.126 0.000 2.436 215 S HA -0.111 4.359 4.470 -0.000 0.000 0.215 215 S C 0.898 175.459 174.600 -0.064 0.000 1.047 215 S CA 0.645 58.792 58.200 -0.088 0.000 1.086 215 S CB -0.494 62.644 63.200 -0.103 0.000 1.072 215 S HN 0.530 nan 8.310 nan 0.000 0.411 216 D N 1.836 122.189 120.400 -0.079 0.000 2.402 216 D HA 0.024 4.664 4.640 -0.000 0.000 0.268 216 D C 0.860 177.153 176.300 -0.013 0.000 1.294 216 D CA 0.042 54.014 54.000 -0.046 0.000 0.945 216 D CB 0.763 41.526 40.800 -0.060 0.000 1.112 216 D HN -0.001 nan 8.370 nan 0.000 0.517 217 V N 4.723 124.642 119.914 0.008 0.000 2.591 217 V HA -0.177 3.943 4.120 -0.000 0.000 0.249 217 V C 2.480 178.607 176.094 0.055 0.000 1.053 217 V CA 1.541 63.861 62.300 0.033 0.000 1.068 217 V CB -0.566 31.273 31.823 0.027 0.000 0.689 217 V HN 0.667 nan 8.190 nan 0.000 0.462 218 A N 0.276 123.123 122.820 0.045 0.000 1.873 218 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 218 A C 2.261 179.900 177.584 0.092 0.000 1.193 218 A CA 2.116 54.186 52.037 0.056 0.000 0.629 218 A CB -0.681 18.345 19.000 0.044 0.000 0.826 218 A HN 0.458 nan 8.150 nan 0.000 0.447 219 L N -0.648 120.643 121.223 0.113 0.000 1.971 219 L HA -0.297 4.043 4.340 -0.000 0.000 0.215 219 L C 2.715 179.756 176.870 0.285 0.000 1.072 219 L CA 2.250 57.218 54.840 0.214 0.000 0.758 219 L CB -0.482 41.692 42.059 0.192 0.000 0.889 219 L HN 0.424 nan 8.230 nan 0.000 0.433 220 K N -0.937 119.628 120.400 0.276 0.000 2.089 220 K HA -0.206 4.114 4.320 -0.000 0.000 0.210 220 K C 1.933 178.656 176.600 0.205 0.000 1.048 220 K CA 2.067 58.526 56.287 0.288 0.000 0.926 220 K CB -0.395 32.229 32.500 0.206 0.000 0.714 220 K HN 0.421 nan 8.250 nan 0.000 0.448 221 T N 0.772 115.404 114.554 0.131 0.000 2.737 221 T HA -0.132 4.218 4.350 -0.000 0.000 0.265 221 T C 2.159 176.889 174.700 0.051 0.000 1.038 221 T CA 1.715 63.861 62.100 0.077 0.000 1.144 221 T CB -0.303 68.594 68.868 0.050 0.000 0.866 221 T HN 0.392 nan 8.240 nan 0.000 0.434 222 S N 1.457 117.196 115.700 0.066 0.000 2.419 222 S HA -0.104 4.366 4.470 -0.000 0.000 0.233 222 S C 1.797 176.411 174.600 0.022 0.000 1.016 222 S CA 0.662 58.890 58.200 0.047 0.000 0.974 222 S CB -0.823 62.422 63.200 0.076 0.000 0.786 222 S HN 0.442 nan 8.310 nan 0.000 0.492 223 F N 2.909 122.731 119.950 -0.213 0.000 2.098 223 F HA 0.048 4.575 4.527 -0.000 0.000 0.294 223 F C 2.218 177.950 175.800 -0.113 0.000 1.107 223 F CA 1.060 58.804 58.000 -0.426 0.000 1.234 223 F CB -0.761 37.611 39.000 -1.046 0.000 1.002 223 F HN 0.062 nan 8.300 nan 0.000 0.472 224 V N 0.015 119.821 119.914 -0.181 0.000 2.380 224 V HA -0.323 3.797 4.120 -0.000 0.000 0.251 224 V C 2.476 178.428 176.094 -0.237 0.000 1.063 224 V CA 2.093 64.265 62.300 -0.213 0.000 1.055 224 V CB -1.156 30.647 31.823 -0.034 0.000 0.657 224 V HN 0.399 nan 8.190 nan 0.000 0.455 225 S N -0.214 115.391 115.700 -0.159 0.000 2.355 225 S HA -0.181 4.289 4.470 -0.000 0.000 0.222 225 S C 1.765 176.266 174.600 -0.165 0.000 1.031 225 S CA 1.753 59.860 58.200 -0.155 0.000 0.993 225 S CB -0.526 62.628 63.200 -0.077 0.000 0.859 225 S HN 0.652 nan 8.310 nan 0.000 0.453 226 F N 2.904 122.704 119.950 -0.250 0.000 2.087 226 F HA -0.228 4.299 4.527 -0.000 0.000 0.299 226 F C 2.024 177.681 175.800 -0.238 0.000 1.100 226 F CA 1.462 59.324 58.000 -0.230 0.000 1.226 226 F CB -0.472 38.376 39.000 -0.254 0.000 0.983 226 F HN -0.017 nan 8.300 nan 0.000 0.479 227 V N 0.668 120.263 119.914 -0.533 0.000 2.358 227 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 227 V C 2.372 178.294 176.094 -0.285 0.000 1.047 227 V CA 2.241 64.249 62.300 -0.487 0.000 1.035 227 V CB -0.846 30.796 31.823 -0.301 0.000 0.658 227 V HN 0.299 nan 8.190 nan 0.000 0.452 228 K N -0.096 120.126 120.400 -0.298 0.000 2.063 228 K HA -0.134 4.186 4.320 -0.000 0.000 0.208 228 K C 1.376 177.819 176.600 -0.262 0.000 1.048 228 K CA 1.073 57.132 56.287 -0.380 0.000 0.928 228 K CB -0.149 32.000 32.500 -0.586 0.000 0.713 228 K HN 0.445 nan 8.250 nan 0.000 0.442 232 D N 1.367 121.734 120.400 -0.055 0.000 2.363 232 D HA -0.022 4.618 4.640 -0.000 0.000 0.226 232 D C 0.929 177.172 176.300 -0.094 0.000 1.020 232 D CA 0.896 54.855 54.000 -0.069 0.000 0.892 232 D CB 0.629 41.399 40.800 -0.049 0.000 0.900 232 D HN 0.376 nan 8.370 nan 0.000 0.531 233 E N -0.347 119.788 120.200 -0.109 0.000 2.444 233 E HA -0.024 4.325 4.350 -0.000 0.000 0.203 233 E C 1.288 177.831 176.600 -0.095 0.000 0.847 233 E CA 0.024 56.364 56.400 -0.101 0.000 1.142 233 E CB 0.472 30.107 29.700 -0.109 0.000 1.125 233 E HN -0.158 nan 8.360 nan 0.000 0.521 234 Q N -0.318 119.415 119.800 -0.111 0.000 2.408 234 Q HA 0.173 4.513 4.340 -0.000 0.000 0.205 234 Q C 0.867 176.807 176.000 -0.100 0.000 0.919 234 Q CA 1.025 56.769 55.803 -0.098 0.000 0.932 234 Q CB 0.941 29.615 28.738 -0.107 0.000 1.058 234 Q HN 0.464 nan 8.270 nan 0.000 0.517 235 G N -0.788 107.944 108.800 -0.112 0.000 2.176 235 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.253 235 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.253 235 G C -0.219 174.607 174.900 -0.123 0.000 0.979 235 G CA 0.311 45.341 45.100 -0.117 0.000 0.641 235 G HN 0.201 nan 8.290 nan 0.000 0.530 236 V N 2.410 122.241 119.914 -0.138 0.000 2.339 236 V HA 0.314 4.434 4.120 -0.000 0.000 0.261 236 V C 0.402 176.409 176.094 -0.144 0.000 1.058 236 V CA -0.802 61.401 62.300 -0.162 0.000 0.897 236 V CB 1.238 32.941 31.823 -0.200 0.000 1.052 236 V HN 0.205 nan 8.190 nan 0.000 0.480 237 K N 6.647 126.985 120.400 -0.103 0.000 2.083 237 K HA 0.317 4.637 4.320 -0.000 0.000 0.246 237 K C -0.084 176.477 176.600 -0.065 0.000 1.160 237 K CA 0.243 56.495 56.287 -0.058 0.000 1.060 237 K CB 0.072 32.580 32.500 0.014 0.000 1.417 237 K HN 0.800 nan 8.250 nan 0.000 0.329 238 I N -2.062 118.467 120.570 -0.067 0.000 2.947 238 I HA 0.482 4.652 4.170 -0.000 0.000 0.314 238 I C -0.042 176.100 176.117 0.042 0.000 1.028 238 I CA -1.117 60.180 61.300 -0.004 0.000 1.077 238 I CB 1.487 39.507 38.000 0.033 0.000 1.274 238 I HN -0.117 nan 8.210 nan 0.000 0.485 239 K N 1.703 122.169 120.400 0.110 0.000 2.207 239 K HA 0.635 4.955 4.320 -0.000 0.000 0.255 239 K C -0.506 176.198 176.600 0.174 0.000 0.941 239 K CA -0.554 55.785 56.287 0.088 0.000 0.825 239 K CB 2.094 34.627 32.500 0.055 0.000 1.119 239 K HN 1.010 nan 8.250 nan 0.000 0.430 240 G N 0.255 109.153 108.800 0.163 0.000 2.448 240 G HA2 0.591 4.551 3.960 -0.000 0.000 0.324 240 G HA3 0.591 4.551 3.960 -0.000 0.000 0.324 240 G C -1.263 173.850 174.900 0.355 0.000 1.203 240 G CA -0.480 44.826 45.100 0.343 0.000 0.954 240 G HN 0.232 nan 8.290 nan 0.000 0.480 241 V N 1.449 121.631 119.914 0.446 0.000 2.482 241 V HA 0.607 4.727 4.120 -0.000 0.000 0.295 241 V C -0.086 176.155 176.094 0.246 0.000 1.026 241 V CA -0.664 61.785 62.300 0.249 0.000 0.856 241 V CB 1.043 32.923 31.823 0.096 0.000 1.001 241 V HN 0.853 nan 8.190 nan 0.000 0.424 242 V N 1.456 121.520 119.914 0.249 0.000 3.040 242 V HA 1.019 5.139 4.120 -0.000 0.000 0.312 242 V C 0.138 176.332 176.094 0.166 0.000 1.115 242 V CA -1.136 61.283 62.300 0.198 0.000 0.998 242 V CB 1.948 33.941 31.823 0.283 0.000 1.042 242 V HN 0.977 nan 8.190 nan 0.000 0.433 243 A N 2.437 125.344 122.820 0.145 0.000 2.290 243 A HA 0.722 5.042 4.320 -0.000 0.000 0.310 243 A C 0.369 178.029 177.584 0.126 0.000 1.202 243 A CA -0.358 51.763 52.037 0.140 0.000 0.837 243 A CB -0.312 18.778 19.000 0.150 0.000 1.139 243 A HN 1.214 nan 8.150 nan 0.000 0.509 247 A N 1.009 123.888 122.820 0.098 0.000 2.209 247 A HA 0.027 4.347 4.320 -0.000 0.000 0.212 247 A C 1.106 178.745 177.584 0.093 0.000 1.158 247 A CA 1.114 53.208 52.037 0.096 0.000 0.742 247 A CB -0.431 18.651 19.000 0.138 0.000 0.790 247 A HN 0.610 nan 8.150 nan 0.000 0.472 248 D N -2.669 117.774 120.400 0.073 0.000 2.692 248 D HA -0.242 4.398 4.640 -0.000 0.000 0.233 248 D C -0.675 175.686 176.300 0.102 0.000 1.172 248 D CA 0.990 55.013 54.000 0.038 0.000 0.636 248 D CB -1.528 39.269 40.800 -0.004 0.000 1.028 248 D HN 0.537 nan 8.370 nan 0.000 0.419 249 Y N 0.064 120.340 120.300 -0.039 0.000 2.421 249 Y HA 0.295 4.845 4.550 -0.000 0.000 0.339 249 Y C 0.756 176.647 175.900 -0.015 0.000 0.996 249 Y CA -1.181 56.890 58.100 -0.048 0.000 1.046 249 Y CB 1.275 39.701 38.460 -0.055 0.000 1.226 249 Y HN -0.046 nan 8.280 nan 0.000 0.445 250 E N 2.353 122.300 120.200 -0.423 0.000 2.515 250 E HA -0.010 4.340 4.350 -0.000 0.000 0.201 250 E C 0.765 177.073 176.600 -0.487 0.000 1.071 250 E CA 1.026 57.229 56.400 -0.329 0.000 0.880 250 E CB -0.201 29.400 29.700 -0.165 0.000 0.828 250 E HN 0.877 nan 8.360 nan 0.000 0.540 251 G N 0.459 108.647 108.800 -1.020 0.000 3.088 251 G HA2 0.278 4.238 3.960 -0.000 0.000 0.217 251 G HA3 0.278 4.238 3.960 -0.000 0.000 0.217 251 G C 0.195 174.982 174.900 -0.188 0.000 1.159 251 G CA -0.266 44.466 45.100 -0.614 0.000 0.760 251 G HN 0.111 nan 8.290 nan 0.000 0.550 252 I N 1.199 121.712 120.570 -0.094 0.000 2.569 252 I HA 0.408 4.578 4.170 -0.000 0.000 0.296 252 I C -0.805 175.358 176.117 0.077 0.000 1.028 252 I CA -1.296 60.047 61.300 0.072 0.000 1.082 252 I CB 2.405 40.506 38.000 0.168 0.000 1.264 252 I HN -0.165 nan 8.210 nan 0.000 0.429 253 I N 4.846 125.472 120.570 0.094 0.000 2.336 253 I HA 0.262 4.432 4.170 -0.000 0.000 0.292 253 I C 0.196 176.382 176.117 0.116 0.000 0.991 253 I CA -0.337 61.003 61.300 0.067 0.000 1.227 253 I CB 1.090 39.036 38.000 -0.089 0.000 1.366 253 I HN 0.608 nan 8.210 nan 0.000 0.466 254 N N 6.250 125.045 118.700 0.159 0.000 2.645 254 N HA 0.255 4.995 4.740 -0.000 0.000 0.233 254 N C -0.788 174.847 175.510 0.209 0.000 1.058 254 N CA -0.419 52.734 53.050 0.171 0.000 0.942 254 N CB 0.896 39.475 38.487 0.154 0.000 1.210 254 N HN 0.318 nan 8.380 nan 0.000 0.512 255 V N 3.486 123.510 119.914 0.185 0.000 2.529 255 V HA -0.006 4.114 4.120 -0.000 0.000 0.292 255 V C 1.513 177.722 176.094 0.192 0.000 1.028 255 V CA 0.099 62.537 62.300 0.229 0.000 1.074 255 V CB 1.060 32.992 31.823 0.181 0.000 0.958 255 V HN 0.717 nan 8.190 nan 0.000 0.481 256 R N 5.220 125.837 120.500 0.195 0.000 2.039 256 R HA 0.092 4.432 4.340 -0.000 0.000 0.218 256 R C 0.909 177.270 176.300 0.100 0.000 1.220 256 R CA 0.962 57.139 56.100 0.128 0.000 0.993 256 R CB -0.002 30.359 30.300 0.102 0.000 0.881 256 R HN 0.880 nan 8.270 nan 0.000 0.450 257 N N -0.613 118.143 118.700 0.092 0.000 2.563 257 N HA 0.376 5.116 4.740 -0.000 0.000 0.288 257 N C -0.189 175.353 175.510 0.053 0.000 1.246 257 N CA -0.263 52.820 53.050 0.055 0.000 0.946 257 N CB 1.099 39.600 38.487 0.022 0.000 1.213 257 N HN 0.271 nan 8.380 nan 0.000 0.578 258 G N -1.326 107.477 108.800 0.005 0.000 2.938 258 G HA2 0.674 4.634 3.960 -0.000 0.000 0.258 258 G HA3 0.674 4.634 3.960 -0.000 0.000 0.258 258 G C -0.540 174.298 174.900 -0.103 0.000 1.356 258 G CA -0.319 44.763 45.100 -0.030 0.000 1.052 258 G HN 0.782 nan 8.290 nan 0.000 0.550 259 V N -4.335 115.469 119.914 -0.183 0.000 3.182 259 V HA 0.907 5.027 4.120 -0.000 0.000 0.308 259 V C -0.668 175.272 176.094 -0.258 0.000 1.240 259 V CA -0.836 61.292 62.300 -0.286 0.000 1.063 259 V CB 1.500 32.979 31.823 -0.572 0.000 1.076 259 V HN 0.730 nan 8.190 nan 0.000 0.446 260 T N 2.587 116.981 114.554 -0.267 0.000 2.840 260 T HA 0.660 5.010 4.350 -0.000 0.000 0.287 260 T C -0.303 174.271 174.700 -0.211 0.000 0.991 260 T CA -0.339 61.637 62.100 -0.206 0.000 0.964 260 T CB 1.041 69.804 68.868 -0.175 0.000 0.954 260 T HN 0.692 nan 8.240 nan 0.000 0.438 261 L N 2.218 123.341 121.223 -0.167 0.000 2.475 261 L HA 0.460 4.800 4.340 -0.000 0.000 0.253 261 L C 2.222 179.042 176.870 -0.084 0.000 1.198 261 L CA -0.746 54.019 54.840 -0.125 0.000 0.814 261 L CB 0.426 42.441 42.059 -0.074 0.000 1.134 261 L HN 0.611 nan 8.230 nan 0.000 0.478 262 R N 0.870 121.339 120.500 -0.051 0.000 2.091 262 R HA -0.191 4.149 4.340 -0.000 0.000 0.238 262 R C 1.509 177.790 176.300 -0.031 0.000 1.136 262 R CA 2.043 58.123 56.100 -0.033 0.000 0.959 262 R CB -0.216 30.079 30.300 -0.008 0.000 0.856 262 R HN 0.868 nan 8.270 nan 0.000 0.437 263 D N -1.568 118.818 120.400 -0.024 0.000 2.392 263 D HA 0.031 4.671 4.640 -0.000 0.000 0.228 263 D C 1.109 177.390 176.300 -0.032 0.000 1.003 263 D CA 0.950 54.937 54.000 -0.022 0.000 0.917 263 D CB -0.051 40.742 40.800 -0.012 0.000 0.890 263 D HN 0.455 nan 8.370 nan 0.000 0.532 264 G N -0.894 107.878 108.800 -0.047 0.000 2.195 264 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.246 264 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.246 264 G C 0.475 175.340 174.900 -0.058 0.000 0.984 264 G CA 0.231 45.298 45.100 -0.055 0.000 0.633 264 G HN 0.475 nan 8.290 nan 0.000 0.525 265 T N 1.697 116.220 114.554 -0.052 0.000 2.902 265 T HA 0.447 4.797 4.350 -0.000 0.000 0.301 265 T C 0.781 175.439 174.700 -0.071 0.000 1.012 265 T CA 0.469 62.539 62.100 -0.050 0.000 1.151 265 T CB 1.031 69.878 68.868 -0.035 0.000 0.946 265 T HN 0.365 nan 8.240 nan 0.000 0.542 266 I N 3.709 124.240 120.570 -0.064 0.000 2.336 266 I HA 0.348 4.518 4.170 -0.000 0.000 0.292 266 I C -0.143 175.928 176.117 -0.077 0.000 0.991 266 I CA -0.589 60.664 61.300 -0.077 0.000 1.227 266 I CB 0.978 38.941 38.000 -0.062 0.000 1.366 266 I HN 0.332 nan 8.210 nan 0.000 0.466 267 L N 6.652 127.814 121.223 -0.101 0.000 2.298 267 L HA 0.404 4.744 4.340 -0.000 0.000 0.284 267 L C 0.064 176.867 176.870 -0.111 0.000 1.013 267 L CA -0.554 54.222 54.840 -0.107 0.000 0.824 267 L CB 1.296 43.297 42.059 -0.098 0.000 1.221 267 L HN 0.602 nan 8.230 nan 0.000 0.418 268 E N 4.965 125.081 120.200 -0.140 0.000 2.390 268 E HA 0.054 4.404 4.350 -0.000 0.000 0.261 268 E C -1.395 175.133 176.600 -0.120 0.000 1.076 268 E CA -1.436 54.907 56.400 -0.095 0.000 0.905 268 E CB 0.758 30.453 29.700 -0.008 0.000 0.984 268 E HN 0.368 nan 8.360 nan 0.000 0.427 269 P HA -0.271 nan 4.420 nan 0.000 0.217 269 P C 0.947 178.270 177.300 0.038 0.000 1.151 269 P CA 1.878 65.005 63.100 0.045 0.000 0.849 269 P CB -0.140 31.614 31.700 0.090 0.000 0.787 270 H N -1.124 117.964 119.070 0.030 0.000 2.543 270 H HA -0.012 4.543 4.556 -0.000 0.000 0.286 270 H C 1.896 177.232 175.328 0.013 0.000 1.037 270 H CA 1.069 57.121 56.048 0.007 0.000 1.250 270 H CB -0.879 28.861 29.762 -0.036 0.000 1.373 270 H HN 0.233 nan 8.280 nan 0.000 0.580 271 Q N 0.144 119.671 119.800 -0.454 0.000 2.324 271 Q HA 0.079 4.419 4.340 -0.000 0.000 0.207 271 Q C 2.339 178.329 176.000 -0.018 0.000 0.928 271 Q CA 0.724 56.364 55.803 -0.272 0.000 0.890 271 Q CB 0.408 28.948 28.738 -0.330 0.000 1.001 271 Q HN 0.376 nan 8.270 nan 0.000 0.517 272 V N 1.850 121.784 119.914 0.033 0.000 2.568 272 V HA -0.236 3.884 4.120 -0.000 0.000 0.253 272 V C 2.420 178.660 176.094 0.243 0.000 1.072 272 V CA 1.751 64.178 62.300 0.211 0.000 1.084 272 V CB -0.740 31.208 31.823 0.208 0.000 0.676 272 V HN 0.362 nan 8.190 nan 0.000 0.469 273 V N -0.645 119.352 119.914 0.138 0.000 2.380 273 V HA -0.270 3.850 4.120 -0.000 0.000 0.251 273 V C 2.539 178.698 176.094 0.107 0.000 1.063 273 V CA 1.992 64.358 62.300 0.111 0.000 1.055 273 V CB -1.689 30.183 31.823 0.082 0.000 0.657 273 V HN 0.418 nan 8.190 nan 0.000 0.455 274 A N 0.103 122.992 122.820 0.115 0.000 1.873 274 A HA -0.292 4.028 4.320 -0.000 0.000 0.218 274 A C 1.936 179.590 177.584 0.118 0.000 1.193 274 A CA 2.406 54.505 52.037 0.105 0.000 0.629 274 A CB -1.309 17.757 19.000 0.109 0.000 0.826 274 A HN 0.876 nan 8.150 nan 0.000 0.447 275 W N 0.683 121.970 121.300 -0.021 0.000 2.353 275 W HA -0.186 4.474 4.660 -0.000 0.000 0.319 275 W C 2.073 178.521 176.519 -0.118 0.000 1.207 275 W CA 2.542 59.807 57.345 -0.133 0.000 1.291 275 W CB -0.616 28.632 29.460 -0.354 0.000 1.159 275 W HN 0.111 nan 8.180 nan 0.000 0.478 276 V N 1.821 121.801 119.914 0.110 0.000 2.439 276 V HA -0.369 3.751 4.120 -0.000 0.000 0.253 276 V C 2.468 178.376 176.094 -0.311 0.000 1.074 276 V CA 2.135 64.318 62.300 -0.194 0.000 1.076 276 V CB -2.043 29.688 31.823 -0.154 0.000 0.664 276 V HN 0.407 nan 8.190 nan 0.000 0.461 277 A N 0.818 123.542 122.820 -0.161 0.000 1.845 277 A HA -0.110 4.210 4.320 -0.000 0.000 0.215 277 A C 2.479 179.961 177.584 -0.170 0.000 1.195 277 A CA 2.052 54.025 52.037 -0.107 0.000 0.616 277 A CB -1.399 17.595 19.000 -0.010 0.000 0.832 277 A HN 0.534 nan 8.150 nan 0.000 0.443 278 G N -0.814 107.851 108.800 -0.225 0.000 2.448 278 G HA2 0.030 3.990 3.960 -0.000 0.000 0.219 278 G HA3 0.030 3.990 3.960 -0.000 0.000 0.219 278 G C 1.653 176.328 174.900 -0.376 0.000 1.127 278 G CA 1.473 46.421 45.100 -0.254 0.000 0.766 278 G HN 0.810 nan 8.290 nan 0.000 0.552 279 A N 0.923 123.372 122.820 -0.617 0.000 1.873 279 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 279 A C 2.130 179.528 177.584 -0.311 0.000 1.186 279 A CA 2.031 53.680 52.037 -0.646 0.000 0.616 279 A CB -0.514 17.873 19.000 -1.022 0.000 0.823 279 A HN 0.390 nan 8.150 nan 0.000 0.442 280 D N 0.099 120.349 120.400 -0.249 0.000 2.149 280 D HA -0.027 4.613 4.640 -0.000 0.000 0.201 280 D C 1.986 178.235 176.300 -0.086 0.000 0.972 280 D CA 1.297 55.219 54.000 -0.130 0.000 0.835 280 D CB -0.118 40.611 40.800 -0.119 0.000 0.966 280 D HN 0.307 nan 8.370 nan 0.000 0.476 281 A N 0.486 123.254 122.820 -0.088 0.000 2.015 281 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 281 A C 2.325 179.880 177.584 -0.048 0.000 1.163 281 A CA 1.881 53.894 52.037 -0.040 0.000 0.646 281 A CB -0.367 18.625 19.000 -0.014 0.000 0.806 281 A HN 0.405 nan 8.150 nan 0.000 0.448 282 S N -0.588 115.063 115.700 -0.083 0.000 2.486 282 S HA 0.503 4.973 4.470 -0.000 0.000 0.220 282 S C 1.080 175.648 174.600 -0.053 0.000 1.011 282 S CA 0.363 58.523 58.200 -0.067 0.000 0.921 282 S CB -0.611 62.536 63.200 -0.089 0.000 0.785 282 S HN 0.886 nan 8.310 nan 0.000 0.517 283 A N 2.405 125.190 122.820 -0.058 0.000 2.561 283 A HA 0.470 4.790 4.320 -0.000 0.000 0.234 283 A C 0.708 178.276 177.584 -0.026 0.000 1.055 283 A CA 0.274 52.290 52.037 -0.034 0.000 0.756 283 A CB -0.123 18.861 19.000 -0.026 0.000 0.986 283 A HN 0.568 nan 8.150 nan 0.000 0.505 287 K N 1.323 121.720 120.400 -0.004 0.000 2.182 287 K HA 0.610 4.930 4.320 -0.000 0.000 0.262 287 K C -0.126 176.484 176.600 0.018 0.000 0.957 287 K CA -0.001 56.295 56.287 0.014 0.000 0.842 287 K CB 2.076 34.589 32.500 0.023 0.000 1.099 287 K HN 0.019 nan 8.250 nan 0.000 0.438 288 S N 1.580 117.300 115.700 0.033 0.000 2.646 288 S HA 0.254 4.723 4.470 -0.000 0.000 0.273 288 S C 0.212 174.849 174.600 0.061 0.000 1.168 288 S CA -0.298 57.925 58.200 0.038 0.000 1.013 288 S CB 0.338 63.558 63.200 0.034 0.000 1.098 288 S HN 0.684 nan 8.310 nan 0.000 0.544 289 N N -0.328 118.418 118.700 0.076 0.000 2.275 289 N HA 0.191 4.931 4.740 -0.000 0.000 0.236 289 N C -0.995 174.582 175.510 0.112 0.000 1.154 289 N CA -0.183 52.938 53.050 0.118 0.000 0.866 289 N CB 0.575 39.159 38.487 0.163 0.000 1.093 289 N HN 0.425 nan 8.380 nan 0.000 0.515 290 T N 0.365 114.938 114.554 0.033 0.000 2.869 290 T HA 0.127 4.477 4.350 -0.000 0.000 0.295 290 T C 0.254 174.971 174.700 0.028 0.000 0.987 290 T CA -0.029 61.982 62.100 -0.149 0.000 1.109 290 T CB 0.400 69.062 68.868 -0.343 0.000 0.932 290 T HN 0.146 nan 8.240 nan 0.000 0.518 291 F N -0.016 120.082 119.950 0.245 0.000 3.034 291 F HA -0.180 4.347 4.527 -0.000 0.000 0.286 291 F C 0.444 176.362 175.800 0.197 0.000 0.804 291 F CA -0.304 57.820 58.000 0.207 0.000 1.161 291 F CB -2.516 36.492 39.000 0.013 0.000 1.317 291 F HN 0.333 nan 8.300 nan 0.000 0.453 292 V N 1.387 121.530 119.914 0.381 0.000 2.498 292 V HA 0.186 4.306 4.120 -0.000 0.000 0.279 292 V C 0.829 177.189 176.094 0.442 0.000 1.048 292 V CA -0.922 61.594 62.300 0.361 0.000 0.967 292 V CB 1.567 33.594 31.823 0.340 0.000 0.988 292 V HN 0.059 nan 8.190 nan 0.000 0.473 293 K N 3.696 124.316 120.400 0.366 0.000 2.218 293 K HA 0.252 4.572 4.320 -0.000 0.000 0.276 293 K C -0.804 176.013 176.600 0.362 0.000 1.022 293 K CA -0.553 55.937 56.287 0.338 0.000 0.946 293 K CB 0.895 33.537 32.500 0.236 0.000 1.000 293 K HN 0.597 nan 8.250 nan 0.000 0.468 294 Y N 2.819 123.111 120.300 -0.013 0.000 2.650 294 Y HA 0.042 4.592 4.550 -0.000 0.000 0.343 294 Y C -0.323 175.475 175.900 -0.170 0.000 1.078 294 Y CA -1.514 56.325 58.100 -0.435 0.000 1.356 294 Y CB -0.490 37.426 38.460 -0.907 0.000 1.204 294 Y HN 0.602 nan 8.280 nan 0.000 0.508 295 D N 3.540 124.092 120.400 0.253 0.000 2.531 295 D HA 0.286 4.926 4.640 -0.000 0.000 0.239 295 D C 1.255 177.695 176.300 0.233 0.000 1.144 295 D CA 2.434 56.567 54.000 0.222 0.000 0.869 295 D CB 0.319 41.243 40.800 0.207 0.000 1.160 295 D HN 0.918 nan 8.370 nan 0.000 0.484 296 G N 2.236 111.122 108.800 0.142 0.000 2.213 296 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.236 296 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.236 296 G C 0.283 175.181 174.900 -0.004 0.000 0.991 296 G CA 0.102 45.257 45.100 0.091 0.000 0.629 296 G HN 0.953 nan 8.290 nan 0.000 0.517 297 A N 0.527 123.307 122.820 -0.067 0.000 2.274 297 A HA 0.758 5.078 4.320 -0.000 0.000 0.309 297 A C 1.251 178.777 177.584 -0.097 0.000 1.226 297 A CA -0.045 51.853 52.037 -0.232 0.000 0.853 297 A CB 0.268 18.917 19.000 -0.584 0.000 1.146 297 A HN 1.258 nan 8.150 nan 0.000 0.518 298 I N -1.557 118.946 120.570 -0.112 0.000 3.860 298 I HA 0.393 4.563 4.170 -0.000 0.000 0.319 298 I C 0.088 176.080 176.117 -0.207 0.000 1.279 298 I CA 0.287 61.544 61.300 -0.072 0.000 1.220 298 I CB 0.205 38.154 38.000 -0.086 0.000 1.027 298 I HN 0.492 nan 8.210 nan 0.000 0.428 299 D N 1.105 121.353 120.400 -0.253 0.000 2.706 299 D HA 0.539 5.179 4.640 -0.000 0.000 0.227 299 D C -1.327 174.829 176.300 -0.239 0.000 1.233 299 D CA -0.268 53.493 54.000 -0.399 0.000 0.768 299 D CB 2.018 42.494 40.800 -0.538 0.000 1.490 299 D HN 0.213 nan 8.370 nan 0.000 0.458 300 A N 1.876 124.605 122.820 -0.151 0.000 2.279 300 A HA 0.622 4.942 4.320 -0.000 0.000 0.306 300 A C -0.055 177.466 177.584 -0.106 0.000 1.300 300 A CA -0.169 51.803 52.037 -0.108 0.000 0.925 300 A CB 0.104 19.082 19.000 -0.035 0.000 1.152 300 A HN 0.507 nan 8.150 nan 0.000 0.544 301 T N 2.140 116.627 114.554 -0.112 0.000 2.786 301 T HA 0.710 5.060 4.350 -0.000 0.000 0.283 301 T C -2.673 171.995 174.700 -0.053 0.000 0.992 301 T CA -1.833 60.216 62.100 -0.085 0.000 0.954 301 T CB 1.845 70.655 68.868 -0.097 0.000 0.934 301 T HN 0.454 nan 8.240 nan 0.000 0.440 302 P HA 0.430 nan 4.420 nan 0.000 0.278 302 P C -0.496 176.791 177.300 -0.022 0.000 1.266 302 P CA -0.840 62.244 63.100 -0.028 0.000 0.807 302 P CB 1.372 33.065 31.700 -0.012 0.000 1.094 303 R N 0.078 120.570 120.500 -0.014 0.000 2.549 303 R HA 0.623 4.962 4.340 -0.000 0.000 0.267 303 R C -0.558 175.747 176.300 0.008 0.000 1.045 303 R CA -0.796 55.307 56.100 0.005 0.000 1.115 303 R CB 0.311 30.628 30.300 0.028 0.000 1.121 303 R HN 0.367 nan 8.270 nan 0.000 0.543 304 L N 1.088 122.317 121.223 0.010 0.000 2.385 304 L HA 0.441 4.781 4.340 -0.000 0.000 0.273 304 L C -0.052 176.827 176.870 0.015 0.000 0.990 304 L CA -0.342 54.503 54.840 0.009 0.000 0.821 304 L CB 1.820 43.880 42.059 0.000 0.000 1.279 304 L HN 0.761 nan 8.230 nan 0.000 0.412 305 A N 2.271 125.102 122.820 0.018 0.000 2.386 305 A HA 0.254 4.574 4.320 -0.000 0.000 0.246 305 A C 1.050 178.646 177.584 0.020 0.000 1.089 305 A CA 0.013 52.063 52.037 0.022 0.000 0.790 305 A CB 0.027 19.039 19.000 0.021 0.000 1.042 305 A HN 0.888 nan 8.150 nan 0.000 0.497 306 N N 0.556 119.270 118.700 0.024 0.000 2.060 306 N HA -0.234 4.506 4.740 -0.000 0.000 0.195 306 N C 1.121 176.643 175.510 0.021 0.000 1.028 306 N CA 2.312 55.376 53.050 0.024 0.000 0.861 306 N CB -0.411 38.092 38.487 0.027 0.000 1.029 306 N HN 0.861 nan 8.380 nan 0.000 0.428 307 D N 0.292 120.704 120.400 0.020 0.000 2.144 307 D HA -0.132 4.507 4.640 -0.000 0.000 0.200 307 D C 1.338 177.649 176.300 0.018 0.000 0.978 307 D CA 1.100 55.112 54.000 0.020 0.000 0.833 307 D CB -0.486 40.325 40.800 0.019 0.000 0.961 307 D HN 0.397 nan 8.370 nan 0.000 0.470 308 E N 0.597 120.808 120.200 0.017 0.000 2.072 308 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 308 E C 2.263 178.871 176.600 0.013 0.000 0.985 308 E CA 1.032 57.441 56.400 0.016 0.000 0.801 308 E CB -0.196 29.513 29.700 0.015 0.000 0.750 308 E HN 0.407 nan 8.360 nan 0.000 0.452 309 A N 1.703 124.528 122.820 0.008 0.000 1.845 309 A HA -0.261 4.059 4.320 -0.000 0.000 0.215 309 A C 2.102 179.688 177.584 0.004 0.000 1.195 309 A CA 1.682 53.718 52.037 -0.002 0.000 0.616 309 A CB -0.602 18.391 19.000 -0.010 0.000 0.832 309 A HN 0.256 nan 8.150 nan 0.000 0.443 310 E N -0.374 119.833 120.200 0.011 0.000 2.130 310 E HA -0.308 4.042 4.350 -0.000 0.000 0.196 310 E C 1.944 178.557 176.600 0.022 0.000 0.998 310 E CA 1.718 58.128 56.400 0.017 0.000 0.806 310 E CB -0.108 29.605 29.700 0.022 0.000 0.738 310 E HN 0.687 nan 8.360 nan 0.000 0.459 311 E N 0.519 120.732 120.200 0.022 0.000 2.017 311 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 311 E C 1.845 178.462 176.600 0.029 0.000 0.997 311 E CA 1.766 58.181 56.400 0.026 0.000 0.804 311 E CB -0.507 29.208 29.700 0.024 0.000 0.757 311 E HN 0.303 nan 8.360 nan 0.000 0.448 312 A N 0.971 123.806 122.820 0.025 0.000 1.873 312 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 312 A C 2.433 180.037 177.584 0.033 0.000 1.193 312 A CA 1.974 54.029 52.037 0.029 0.000 0.629 312 A CB -1.111 17.902 19.000 0.022 0.000 0.826 312 A HN 0.391 nan 8.150 nan 0.000 0.447 313 L N -1.217 120.018 121.223 0.020 0.000 2.042 313 L HA -0.276 4.064 4.340 -0.000 0.000 0.210 313 L C 2.869 179.767 176.870 0.048 0.000 1.076 313 L CA 1.885 56.739 54.840 0.023 0.000 0.749 313 L CB -0.588 41.474 42.059 0.005 0.000 0.893 313 L HN 0.555 nan 8.230 nan 0.000 0.432 314 Q N 0.884 120.712 119.800 0.047 0.000 2.234 314 Q HA -0.194 4.146 4.340 -0.000 0.000 0.206 314 Q C 1.246 177.284 176.000 0.064 0.000 0.980 314 Q CA 1.686 57.525 55.803 0.060 0.000 0.869 314 Q CB -0.128 28.640 28.738 0.050 0.000 0.912 314 Q HN 0.579 nan 8.270 nan 0.000 0.436 315 N N -0.960 117.772 118.700 0.054 0.000 2.276 315 N HA 0.199 4.939 4.740 -0.000 0.000 0.212 315 N C -0.126 175.419 175.510 0.059 0.000 1.127 315 N CA 0.207 53.287 53.050 0.050 0.000 0.834 315 N CB 0.650 39.164 38.487 0.045 0.000 1.014 315 N HN 0.329 nan 8.380 nan 0.000 0.491 316 G N 1.642 110.486 108.800 0.073 0.000 2.272 316 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.280 316 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.280 316 G C -0.476 174.490 174.900 0.110 0.000 1.067 316 G CA 0.005 45.159 45.100 0.091 0.000 0.902 316 G HN 0.426 nan 8.290 nan 0.000 0.500 317 E N -1.031 119.229 120.200 0.101 0.000 2.166 317 E HA 0.473 4.823 4.350 -0.000 0.000 0.275 317 E C -0.566 176.122 176.600 0.146 0.000 0.941 317 E CA -1.027 55.450 56.400 0.128 0.000 0.784 317 E CB 1.278 31.034 29.700 0.094 0.000 1.115 317 E HN 0.190 nan 8.360 nan 0.000 0.399 318 F N 4.752 124.742 119.950 0.066 0.000 2.439 318 F HA 0.135 4.662 4.527 -0.000 0.000 0.356 318 F C -0.207 175.632 175.800 0.065 0.000 1.161 318 F CA -0.577 57.465 58.000 0.071 0.000 1.151 318 F CB 0.213 39.272 39.000 0.098 0.000 1.222 318 F HN 0.137 nan 8.300 nan 0.000 0.558 319 V N 4.809 124.632 119.914 -0.151 0.000 2.630 319 V HA 0.614 4.734 4.120 -0.000 0.000 0.305 319 V C -0.615 175.372 176.094 -0.179 0.000 1.046 319 V CA -1.102 61.145 62.300 -0.089 0.000 0.934 319 V CB 1.808 33.583 31.823 -0.081 0.000 1.003 319 V HN 0.550 nan 8.190 nan 0.000 0.451 320 L N 3.872 125.042 121.223 -0.088 0.000 2.322 320 L HA 0.732 5.072 4.340 -0.000 0.000 0.281 320 L C 0.314 177.068 176.870 -0.193 0.000 1.014 320 L CA -0.266 54.491 54.840 -0.139 0.000 0.815 320 L CB 2.129 44.169 42.059 -0.031 0.000 1.247 320 L HN 1.006 nan 8.230 nan 0.000 0.421 321 T N -0.739 113.583 114.554 -0.387 0.000 2.856 321 T HA 0.510 4.860 4.350 -0.000 0.000 0.283 321 T C -0.695 173.898 174.700 -0.178 0.000 1.008 321 T CA -0.586 61.332 62.100 -0.303 0.000 0.997 321 T CB 1.760 70.411 68.868 -0.363 0.000 0.992 321 T HN 0.241 nan 8.240 nan 0.000 0.454 322 F N 2.520 122.415 119.950 -0.091 0.000 2.411 322 F HA 0.496 5.023 4.527 -0.000 0.000 0.355 322 F C -0.211 175.668 175.800 0.131 0.000 1.117 322 F CA -1.307 56.708 58.000 0.024 0.000 1.139 322 F CB 0.836 39.831 39.000 -0.009 0.000 1.120 322 F HN 0.693 nan 8.300 nan 0.000 0.493 323 D N 5.182 125.295 120.400 -0.479 0.000 2.428 323 D HA 0.379 5.019 4.640 -0.000 0.000 0.221 323 D C 0.816 176.531 176.300 -0.975 0.000 1.123 323 D CA 0.067 53.796 54.000 -0.451 0.000 0.869 323 D CB 1.392 42.131 40.800 -0.101 0.000 1.032 323 D HN 0.683 nan 8.370 nan 0.000 0.506 324 A N 4.284 126.526 122.820 -0.964 0.000 2.070 324 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 324 A C 2.122 179.560 177.584 -0.243 0.000 1.159 324 A CA 1.107 52.784 52.037 -0.599 0.000 0.656 324 A CB -0.210 18.721 19.000 -0.115 0.000 0.800 324 A HN 0.544 nan 8.150 nan 0.000 0.453 325 R N -0.190 120.182 120.500 -0.213 0.000 2.075 325 R HA -0.127 4.213 4.340 -0.000 0.000 0.230 325 R C 1.544 177.784 176.300 -0.100 0.000 1.140 325 R CA 1.998 58.026 56.100 -0.119 0.000 0.928 325 R CB -0.419 29.815 30.300 -0.111 0.000 0.834 325 R HN 0.476 nan 8.270 nan 0.000 0.429 326 D N -0.396 119.929 120.400 -0.126 0.000 2.340 326 D HA 0.052 4.692 4.640 -0.000 0.000 0.220 326 D C -0.544 175.732 176.300 -0.041 0.000 1.039 326 D CA 0.190 54.143 54.000 -0.078 0.000 0.866 326 D CB 0.256 41.001 40.800 -0.091 0.000 0.913 326 D HN 0.063 nan 8.370 nan 0.000 0.523 327 K N -0.598 119.752 120.400 -0.084 0.000 3.653 327 K HA -0.160 4.160 4.320 -0.000 0.000 0.275 327 K C -1.069 175.643 176.600 0.187 0.000 0.962 327 K CA 0.462 56.801 56.287 0.087 0.000 0.773 327 K CB -1.314 31.287 32.500 0.168 0.000 1.463 327 K HN 0.247 nan 8.250 nan 0.000 0.450 328 A N -0.101 122.794 122.820 0.124 0.000 2.604 328 A HA 0.644 4.964 4.320 -0.000 0.000 0.295 328 A C -1.136 176.614 177.584 0.277 0.000 1.067 328 A CA -0.521 51.638 52.037 0.203 0.000 0.683 328 A CB 2.087 21.163 19.000 0.126 0.000 1.281 328 A HN 0.192 nan 8.150 nan 0.000 0.407 329 V N 2.548 122.628 119.914 0.278 0.000 2.532 329 V HA 0.880 5.000 4.120 -0.000 0.000 0.295 329 V C -0.999 175.269 176.094 0.291 0.000 1.041 329 V CA -0.264 62.187 62.300 0.253 0.000 0.926 329 V CB 1.300 33.176 31.823 0.089 0.000 0.992 329 V HN 1.439 nan 8.190 nan 0.000 0.457 330 Y N 3.001 123.361 120.300 0.099 0.000 2.644 330 Y HA 0.773 5.323 4.550 -0.000 0.000 0.338 330 Y C -0.790 175.166 175.900 0.094 0.000 1.119 330 Y CA -1.650 56.530 58.100 0.134 0.000 1.060 330 Y CB 1.105 39.668 38.460 0.171 0.000 1.294 330 Y HN 0.347 nan 8.280 nan 0.000 0.472 331 V N 2.952 122.968 119.914 0.169 0.000 2.508 331 V HA 0.056 4.176 4.120 -0.000 0.000 0.281 331 V C 1.058 177.002 176.094 -0.251 0.000 1.041 331 V CA -0.025 62.222 62.300 -0.088 0.000 1.016 331 V CB 1.028 32.863 31.823 0.021 0.000 0.984 331 V HN 0.908 nan 8.190 nan 0.000 0.478 332 E N 2.883 122.837 120.200 -0.410 0.000 2.106 332 E HA -0.049 4.301 4.350 -0.000 0.000 0.192 332 E C 0.620 177.008 176.600 -0.353 0.000 0.984 332 E CA 0.997 57.190 56.400 -0.346 0.000 0.806 332 E CB 0.299 29.832 29.700 -0.278 0.000 0.750 332 E HN 0.725 nan 8.360 nan 0.000 0.458 333 Q N 0.092 119.660 119.800 -0.386 0.000 2.507 333 Q HA 0.033 4.373 4.340 -0.000 0.000 0.248 333 Q C -1.860 173.979 176.000 -0.268 0.000 0.941 333 Q CA -0.291 55.339 55.803 -0.288 0.000 1.003 333 Q CB 1.429 30.060 28.738 -0.178 0.000 1.517 333 Q HN -0.120 nan 8.270 nan 0.000 0.443 334 D N 3.973 124.306 120.400 -0.112 0.000 2.489 334 D HA 0.264 4.904 4.640 -0.000 0.000 0.237 334 D C -0.730 175.658 176.300 0.146 0.000 1.212 334 D CA 0.536 54.601 54.000 0.108 0.000 1.058 334 D CB -0.277 40.603 40.800 0.133 0.000 1.098 334 D HN 0.307 nan 8.370 nan 0.000 0.509 335 L N 2.141 123.483 121.223 0.199 0.000 2.286 335 L HA 0.548 4.888 4.340 -0.000 0.000 0.265 335 L C 0.742 177.754 176.870 0.237 0.000 1.012 335 L CA -1.209 53.739 54.840 0.179 0.000 0.818 335 L CB 1.604 43.737 42.059 0.123 0.000 1.337 335 L HN 0.213 nan 8.230 nan 0.000 0.438 336 N N -1.823 116.975 118.700 0.164 0.000 2.545 336 N HA 0.212 4.952 4.740 -0.000 0.000 0.289 336 N C 0.376 175.953 175.510 0.113 0.000 1.279 336 N CA -0.393 52.735 53.050 0.130 0.000 0.824 336 N CB 1.643 40.170 38.487 0.067 0.000 1.395 336 N HN 0.620 nan 8.380 nan 0.000 0.526 337 S N -0.532 115.224 115.700 0.092 0.000 2.469 337 S HA -0.140 4.330 4.470 -0.000 0.000 0.238 337 S C 0.982 175.608 174.600 0.043 0.000 0.998 337 S CA 0.121 58.371 58.200 0.084 0.000 0.957 337 S CB -0.512 62.749 63.200 0.101 0.000 0.764 337 S HN 0.543 nan 8.310 nan 0.000 0.514 338 L N 3.500 124.736 121.223 0.021 0.000 2.584 338 L HA 0.210 4.550 4.340 -0.000 0.000 0.272 338 L C 1.143 177.919 176.870 -0.156 0.000 1.195 338 L CA 1.146 55.949 54.840 -0.061 0.000 0.920 338 L CB 0.443 42.485 42.059 -0.028 0.000 1.173 338 L HN 0.449 nan 8.230 nan 0.000 0.489 339 T N -0.637 113.743 114.554 -0.291 0.000 3.075 339 T HA 0.096 4.446 4.350 -0.000 0.000 0.251 339 T C 0.876 175.175 174.700 -0.667 0.000 0.979 339 T CA 0.503 62.403 62.100 -0.333 0.000 1.033 339 T CB -0.302 68.499 68.868 -0.111 0.000 1.104 339 T HN 0.583 nan 8.240 nan 0.000 0.473 340 T N 2.051 116.303 114.554 -0.503 0.000 2.834 340 T HA 0.497 4.847 4.350 -0.000 0.000 0.298 340 T C -1.173 173.170 174.700 -0.596 0.000 0.966 340 T CA -0.283 61.578 62.100 -0.397 0.000 1.141 340 T CB -0.533 68.225 68.868 -0.182 0.000 0.905 340 T HN 0.208 nan 8.240 nan 0.000 0.535 341 F N 2.395 122.377 119.950 0.052 0.000 2.631 341 F HA 0.753 5.280 4.527 -0.000 0.000 0.328 341 F C 0.805 176.636 175.800 0.051 0.000 1.067 341 F CA -0.574 57.462 58.000 0.061 0.000 0.969 341 F CB 2.086 41.135 39.000 0.081 0.000 1.332 341 F HN 0.796 nan 8.300 nan 0.000 0.490 342 S N 0.111 115.988 115.700 0.294 0.000 3.725 342 S HA 0.307 4.777 4.470 -0.000 0.000 0.307 342 S C -0.045 174.648 174.600 0.154 0.000 1.149 342 S CA -0.305 57.996 58.200 0.168 0.000 1.207 342 S CB 1.119 64.384 63.200 0.109 0.000 1.611 342 S HN 0.634 nan 8.310 nan 0.000 0.592 343 K N 0.313 120.780 120.400 0.112 0.000 2.334 343 K HA 0.392 4.712 4.320 -0.000 0.000 0.195 343 K C 1.390 178.062 176.600 0.119 0.000 1.045 343 K CA 0.488 56.836 56.287 0.102 0.000 1.004 343 K CB -0.207 32.334 32.500 0.068 0.000 0.837 343 K HN 0.330 nan 8.250 nan 0.000 0.510 344 E N 1.964 122.228 120.200 0.108 0.000 2.038 344 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 344 E C -0.329 176.371 176.600 0.168 0.000 1.000 344 E CA 1.644 58.107 56.400 0.106 0.000 0.803 344 E CB 0.027 29.762 29.700 0.058 0.000 0.750 344 E HN 0.395 nan 8.360 nan 0.000 0.448 345 K N -0.591 119.908 120.400 0.165 0.000 2.426 345 K HA 0.491 4.811 4.320 -0.000 0.000 0.254 345 K C -0.421 176.431 176.600 0.419 0.000 0.936 345 K CA -0.634 55.806 56.287 0.254 0.000 0.801 345 K CB 1.923 34.251 32.500 -0.287 0.000 1.139 345 K HN -0.018 nan 8.250 nan 0.000 0.424 346 S N 0.911 116.928 115.700 0.529 0.000 2.640 346 S HA 0.065 4.535 4.470 -0.000 0.000 0.262 346 S C 1.023 175.607 174.600 -0.027 0.000 1.232 346 S CA -0.062 58.274 58.200 0.228 0.000 0.988 346 S CB 1.012 64.313 63.200 0.168 0.000 1.034 346 S HN 0.666 nan 8.310 nan 0.000 0.569 347 S N -0.100 115.264 115.700 -0.560 0.000 2.481 347 S HA -0.005 4.465 4.470 -0.000 0.000 0.231 347 S C 1.147 175.529 174.600 -0.364 0.000 0.996 347 S CA 0.586 58.035 58.200 -1.252 0.000 0.942 347 S CB -0.707 61.930 63.200 -0.939 0.000 0.768 347 S HN 0.657 nan 8.310 nan 0.000 0.520 348 K N -0.029 120.290 120.400 -0.134 0.000 2.665 348 K HA 0.055 4.375 4.320 -0.000 0.000 0.196 348 K C 0.160 176.635 176.600 -0.208 0.000 1.021 348 K CA 0.389 56.609 56.287 -0.112 0.000 1.066 348 K CB -0.150 32.315 32.500 -0.058 0.000 0.849 348 K HN 0.405 nan 8.250 nan 0.000 0.500 349 F N -0.052 119.924 119.950 0.044 0.000 2.712 349 F HA 0.099 4.626 4.527 -0.000 0.000 0.297 349 F C 1.668 177.546 175.800 0.129 0.000 1.114 349 F CA -0.258 57.788 58.000 0.077 0.000 1.305 349 F CB 0.402 39.494 39.000 0.154 0.000 1.086 349 F HN -0.051 nan 8.300 nan 0.000 0.599 350 R N 0.696 121.442 120.500 0.411 0.000 2.316 350 R HA 0.026 4.366 4.340 -0.000 0.000 0.202 350 R C -0.083 176.326 176.300 0.182 0.000 1.029 350 R CA 0.750 57.046 56.100 0.327 0.000 1.018 350 R CB -0.631 29.946 30.300 0.461 0.000 0.888 350 R HN -0.009 nan 8.270 nan 0.000 0.471 351 K N 1.550 122.021 120.400 0.118 0.000 2.281 351 K HA 0.225 4.545 4.320 -0.000 0.000 0.272 351 K C -0.234 176.382 176.600 0.026 0.000 1.048 351 K CA -0.516 55.804 56.287 0.055 0.000 0.898 351 K CB 1.232 33.738 32.500 0.011 0.000 1.128 351 K HN 0.053 nan 8.250 nan 0.000 0.460 352 N N 2.354 121.085 118.700 0.051 0.000 2.272 352 N HA -0.198 4.542 4.740 -0.000 0.000 0.185 352 N C 1.477 176.981 175.510 -0.010 0.000 1.014 352 N CA 0.892 53.961 53.050 0.032 0.000 0.870 352 N CB 0.134 38.663 38.487 0.071 0.000 0.975 352 N HN 0.456 nan 8.380 nan 0.000 0.433 353 K N 1.286 121.682 120.400 -0.008 0.000 2.127 353 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 353 K C 1.749 178.302 176.600 -0.077 0.000 1.047 353 K CA 1.131 57.401 56.287 -0.029 0.000 0.927 353 K CB -0.132 32.355 32.500 -0.020 0.000 0.716 353 K HN 0.143 nan 8.250 nan 0.000 0.450 354 I N -0.059 120.437 120.570 -0.124 0.000 2.512 354 I HA -0.102 4.068 4.170 -0.000 0.000 0.247 354 I C 2.254 178.202 176.117 -0.281 0.000 1.094 354 I CA 0.623 61.781 61.300 -0.237 0.000 1.427 354 I CB -0.354 37.434 38.000 -0.353 0.000 1.149 354 I HN -0.037 nan 8.210 nan 0.000 0.438 355 S N 0.452 116.027 115.700 -0.208 0.000 2.372 355 S HA -0.295 4.175 4.470 -0.000 0.000 0.227 355 S C 2.139 176.679 174.600 -0.100 0.000 1.044 355 S CA 1.618 59.750 58.200 -0.114 0.000 1.050 355 S CB -0.493 62.724 63.200 0.030 0.000 0.901 355 S HN 0.318 nan 8.310 nan 0.000 0.447 356 R N 0.504 120.956 120.500 -0.079 0.000 2.200 356 R HA -0.082 4.258 4.340 -0.000 0.000 0.234 356 R C 1.638 177.885 176.300 -0.089 0.000 1.127 356 R CA 0.973 57.035 56.100 -0.063 0.000 0.989 356 R CB -0.194 30.079 30.300 -0.044 0.000 0.869 356 R HN 0.339 nan 8.270 nan 0.000 0.459 357 I N 0.235 120.723 120.570 -0.136 0.000 2.235 357 I HA -0.200 3.970 4.170 -0.000 0.000 0.241 357 I C 2.215 178.213 176.117 -0.197 0.000 1.085 357 I CA 1.096 62.303 61.300 -0.155 0.000 1.378 357 I CB -1.260 36.632 38.000 -0.180 0.000 1.076 357 I HN 0.189 nan 8.210 nan 0.000 0.415 358 L N 0.603 121.640 121.223 -0.309 0.000 2.027 358 L HA -0.197 4.143 4.340 -0.000 0.000 0.206 358 L C 2.369 179.090 176.870 -0.248 0.000 1.074 358 L CA 1.353 55.898 54.840 -0.491 0.000 0.745 358 L CB -0.652 40.927 42.059 -0.799 0.000 0.898 358 L HN 0.191 nan 8.230 nan 0.000 0.433 359 D N 0.146 120.498 120.400 -0.079 0.000 2.133 359 D HA -0.183 4.457 4.640 -0.000 0.000 0.195 359 D C 2.097 178.401 176.300 0.007 0.000 0.997 359 D CA 1.692 55.720 54.000 0.046 0.000 0.840 359 D CB -0.393 40.416 40.800 0.016 0.000 0.947 359 D HN 0.406 nan 8.370 nan 0.000 0.452 360 G N 0.807 109.586 108.800 -0.036 0.000 2.432 360 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.219 360 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.219 360 G C 1.622 176.518 174.900 -0.007 0.000 1.135 360 G CA 0.242 45.325 45.100 -0.029 0.000 0.767 360 G HN 0.206 nan 8.290 nan 0.000 0.550 361 I N 1.277 121.843 120.570 -0.007 0.000 2.233 361 I HA -0.129 4.041 4.170 -0.000 0.000 0.243 361 I C 2.464 178.594 176.117 0.021 0.000 1.093 361 I CA 0.886 62.209 61.300 0.039 0.000 1.380 361 I CB -1.174 36.832 38.000 0.010 0.000 1.067 361 I HN 0.218 nan 8.210 nan 0.000 0.413 362 N N 2.133 120.898 118.700 0.108 0.000 2.069 362 N HA -0.227 4.513 4.740 -0.000 0.000 0.191 362 N C 1.397 176.896 175.510 -0.019 0.000 1.031 362 N CA 1.732 54.867 53.050 0.141 0.000 0.852 362 N CB -0.251 38.424 38.487 0.313 0.000 1.018 362 N HN 0.478 nan 8.380 nan 0.000 0.423 363 N N 0.039 118.709 118.700 -0.051 0.000 2.381 363 N HA -0.088 4.652 4.740 -0.000 0.000 0.182 363 N C 0.747 176.144 175.510 -0.188 0.000 1.025 363 N CA 0.471 53.439 53.050 -0.136 0.000 0.888 363 N CB 0.051 38.454 38.487 -0.140 0.000 0.965 363 N HN 0.354 nan 8.380 nan 0.000 0.438 364 D N 0.366 120.659 120.400 -0.180 0.000 2.162 364 D HA -0.023 4.617 4.640 -0.000 0.000 0.205 364 D C 1.649 177.701 176.300 -0.414 0.000 0.964 364 D CA 0.974 54.798 54.000 -0.293 0.000 0.847 364 D CB 0.136 40.779 40.800 -0.262 0.000 0.988 364 D HN 0.096 nan 8.370 nan 0.000 0.480 365 T N 1.115 115.471 114.554 -0.330 0.000 2.708 365 T HA -0.177 4.173 4.350 -0.000 0.000 0.266 365 T C 1.928 176.508 174.700 -0.201 0.000 1.037 365 T CA 1.089 63.027 62.100 -0.269 0.000 1.146 365 T CB 0.008 68.800 68.868 -0.128 0.000 0.865 365 T HN 0.162 nan 8.240 nan 0.000 0.435 366 R N 0.757 121.152 120.500 -0.175 0.000 2.082 366 R HA -0.160 4.180 4.340 -0.000 0.000 0.234 366 R C 2.527 178.706 176.300 -0.202 0.000 1.136 366 R CA 1.775 57.780 56.100 -0.159 0.000 0.935 366 R CB -0.201 29.995 30.300 -0.172 0.000 0.842 366 R HN 0.097 nan 8.270 nan 0.000 0.430 367 R N 0.998 121.332 120.500 -0.277 0.000 2.103 367 R HA -0.133 4.207 4.340 -0.000 0.000 0.234 367 R C 2.095 178.223 176.300 -0.287 0.000 1.132 367 R CA 2.321 58.243 56.100 -0.298 0.000 0.925 367 R CB -0.815 29.291 30.300 -0.323 0.000 0.842 367 R HN 0.397 nan 8.270 nan 0.000 0.430 368 N N 0.157 118.602 118.700 -0.425 0.000 2.055 368 N HA -0.251 4.489 4.740 -0.000 0.000 0.200 368 N C 1.798 177.075 175.510 -0.389 0.000 1.037 368 N CA 2.232 54.860 53.050 -0.704 0.000 0.881 368 N CB -0.591 37.192 38.487 -1.173 0.000 1.075 368 N HN 0.148 nan 8.380 nan 0.000 0.470 369 I N 1.568 122.082 120.570 -0.092 0.000 2.118 369 I HA -0.233 3.937 4.170 -0.000 0.000 0.241 369 I C 2.461 178.619 176.117 0.069 0.000 1.070 369 I CA 0.866 62.240 61.300 0.124 0.000 1.327 369 I CB -0.664 37.387 38.000 0.085 0.000 1.034 369 I HN 0.151 nan 8.210 nan 0.000 0.405 370 L N -0.074 121.151 121.223 0.002 0.000 2.021 370 L HA -0.314 4.026 4.340 -0.000 0.000 0.215 370 L C 2.236 179.122 176.870 0.027 0.000 1.074 370 L CA 1.578 56.429 54.840 0.018 0.000 0.760 370 L CB -0.908 41.139 42.059 -0.018 0.000 0.889 370 L HN 0.311 nan 8.230 nan 0.000 0.433 371 D N 0.052 120.443 120.400 -0.016 0.000 2.092 371 D HA -0.187 4.453 4.640 -0.000 0.000 0.193 371 D C 2.221 178.558 176.300 0.063 0.000 0.994 371 D CA 1.639 55.639 54.000 0.000 0.000 0.828 371 D CB -0.200 40.561 40.800 -0.065 0.000 0.963 371 D HN 0.345 nan 8.370 nan 0.000 0.450 372 A N 1.085 123.979 122.820 0.124 0.000 1.908 372 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 372 A C 2.217 179.893 177.584 0.153 0.000 1.181 372 A CA 1.017 53.185 52.037 0.218 0.000 0.627 372 A CB -0.545 18.697 19.000 0.403 0.000 0.818 372 A HN 0.128 nan 8.150 nan 0.000 0.445 373 I N 0.779 121.426 120.570 0.129 0.000 2.076 373 I HA -0.265 3.905 4.170 -0.000 0.000 0.237 373 I C 2.373 178.536 176.117 0.076 0.000 1.059 373 I CA 2.249 63.613 61.300 0.108 0.000 1.317 373 I CB -1.304 36.767 38.000 0.119 0.000 1.037 373 I HN 0.597 nan 8.210 nan 0.000 0.398 374 K N 0.732 121.172 120.400 0.067 0.000 2.555 374 K HA -0.113 4.207 4.320 -0.000 0.000 0.193 374 K C 1.622 178.249 176.600 0.045 0.000 1.032 374 K CA 0.913 57.230 56.287 0.051 0.000 1.004 374 K CB 0.099 32.628 32.500 0.047 0.000 0.804 374 K HN 0.347 nan 8.250 nan 0.000 0.496 375 E N 1.231 121.463 120.200 0.054 0.000 2.290 375 E HA 0.002 4.352 4.350 -0.000 0.000 0.199 375 E C 1.616 178.238 176.600 0.038 0.000 0.912 375 E CA 0.171 56.601 56.400 0.049 0.000 0.924 375 E CB 0.280 30.020 29.700 0.067 0.000 0.901 375 E HN 0.155 nan 8.360 nan 0.000 0.487 376 R N 1.633 122.154 120.500 0.035 0.000 2.189 376 R HA -0.004 4.336 4.340 -0.000 0.000 0.223 376 R C 2.182 178.480 176.300 -0.005 0.000 1.092 376 R CA 1.124 57.221 56.100 -0.004 0.000 0.989 376 R CB -0.189 30.082 30.300 -0.047 0.000 0.876 376 R HN 0.018 nan 8.270 nan 0.000 0.457 377 K N -0.063 120.345 120.400 0.013 0.000 2.155 377 K HA -0.083 4.237 4.320 -0.000 0.000 0.203 377 K C 0.397 177.004 176.600 0.011 0.000 1.052 377 K CA 1.501 57.795 56.287 0.013 0.000 0.948 377 K CB 0.130 32.644 32.500 0.023 0.000 0.728 377 K HN 0.053 nan 8.250 nan 0.000 0.448 378 D N 0.207 120.616 120.400 0.015 0.000 2.348 378 D HA -0.045 4.595 4.640 -0.000 0.000 0.216 378 D C 1.011 177.317 176.300 0.009 0.000 0.970 378 D CA 0.687 54.696 54.000 0.014 0.000 0.889 378 D CB 0.369 41.180 40.800 0.019 0.000 0.912 378 D HN 0.304 nan 8.370 nan 0.000 0.524 379 A N -0.113 122.710 122.820 0.005 0.000 2.348 379 A HA 0.127 4.447 4.320 -0.000 0.000 0.224 379 A C 0.747 178.327 177.584 -0.006 0.000 1.227 379 A CA -0.100 51.936 52.037 -0.000 0.000 0.885 379 A CB -0.542 18.456 19.000 -0.003 0.000 0.933 379 A HN 0.250 nan 8.150 nan 0.000 0.506 380 N N -0.879 117.818 118.700 -0.005 0.000 2.780 380 N HA -0.145 4.595 4.740 -0.000 0.000 0.248 380 N C -0.426 175.074 175.510 -0.017 0.000 1.102 380 N CA 0.839 53.885 53.050 -0.008 0.000 0.697 380 N CB -0.836 37.648 38.487 -0.005 0.000 1.028 380 N HN 0.342 nan 8.380 nan 0.000 0.554 381 T N -0.526 114.011 114.554 -0.027 0.000 3.415 381 T HA 0.114 4.464 4.350 -0.000 0.000 0.282 381 T C -0.676 173.988 174.700 -0.060 0.000 1.007 381 T CA -0.520 61.551 62.100 -0.049 0.000 0.958 381 T CB 0.105 68.931 68.868 -0.070 0.000 1.171 381 T HN 0.184 nan 8.240 nan 0.000 0.500 382 D N 2.039 122.421 120.400 -0.030 0.000 2.836 382 D HA -0.059 4.581 4.640 -0.000 0.000 0.220 382 D C 0.264 176.550 176.300 -0.023 0.000 1.094 382 D CA 0.619 54.611 54.000 -0.013 0.000 0.820 382 D CB 0.308 41.112 40.800 0.007 0.000 1.171 382 D HN 0.438 nan 8.370 nan 0.000 0.507 383 I N 4.988 125.553 120.570 -0.008 0.000 2.671 383 I HA 0.044 4.214 4.170 -0.000 0.000 0.285 383 I C -1.392 174.798 176.117 0.121 0.000 1.148 383 I CA -1.484 59.820 61.300 0.007 0.000 1.386 383 I CB -0.324 37.709 38.000 0.053 0.000 1.406 383 I HN 0.225 nan 8.210 nan 0.000 0.540 384 P HA 0.011 nan 4.420 nan 0.000 0.269 384 P C -0.235 177.159 177.300 0.156 0.000 1.209 384 P CA -0.376 62.776 63.100 0.086 0.000 0.776 384 P CB 0.967 32.693 31.700 0.043 0.000 0.876 385 A N 1.830 124.668 122.820 0.029 0.000 2.929 385 A HA 0.190 4.510 4.320 -0.000 0.000 0.279 385 A C 0.471 178.031 177.584 -0.040 0.000 1.418 385 A CA -0.268 51.704 52.037 -0.108 0.000 1.035 385 A CB -1.059 17.819 19.000 -0.204 0.000 1.047 385 A HN 0.643 nan 8.150 nan 0.000 0.609 386 D N -1.519 118.919 120.400 0.062 0.000 2.658 386 D HA 0.141 4.780 4.640 -0.000 0.000 0.243 386 D C 1.032 177.398 176.300 0.110 0.000 1.159 386 D CA 0.102 54.137 54.000 0.058 0.000 1.084 386 D CB -0.270 40.555 40.800 0.042 0.000 1.227 386 D HN 0.231 nan 8.370 nan 0.000 0.636 387 E N -0.104 120.145 120.200 0.082 0.000 2.152 387 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 387 E C 1.132 177.792 176.600 0.100 0.000 0.983 387 E CA 0.833 57.286 56.400 0.088 0.000 0.818 387 E CB -0.517 29.217 29.700 0.056 0.000 0.758 387 E HN 0.289 nan 8.360 nan 0.000 0.467 388 N N 1.147 119.899 118.700 0.086 0.000 2.188 388 N HA -0.063 4.677 4.740 -0.000 0.000 0.184 388 N C 1.883 177.463 175.510 0.116 0.000 1.018 388 N CA 1.412 54.510 53.050 0.081 0.000 0.858 388 N CB -0.349 38.166 38.487 0.046 0.000 0.989 388 N HN 0.349 nan 8.380 nan 0.000 0.426 389 G N 0.300 109.197 108.800 0.162 0.000 2.404 389 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.215 389 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.215 389 G C 1.574 176.570 174.900 0.160 0.000 1.174 389 G CA 0.699 45.931 45.100 0.220 0.000 0.780 389 G HN 0.136 nan 8.290 nan 0.000 0.537 390 V N 0.361 120.439 119.914 0.275 0.000 2.255 390 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 390 V C 2.950 179.067 176.094 0.039 0.000 1.051 390 V CA 2.070 64.472 62.300 0.169 0.000 1.018 390 V CB -0.507 31.447 31.823 0.218 0.000 0.641 390 V HN 0.262 nan 8.190 nan 0.000 0.445 391 Q N -0.885 118.955 119.800 0.068 0.000 2.077 391 Q HA -0.239 4.101 4.340 -0.000 0.000 0.206 391 Q C 2.097 178.097 176.000 0.000 0.000 0.989 391 Q CA 2.181 58.003 55.803 0.032 0.000 0.853 391 Q CB -0.629 28.140 28.738 0.052 0.000 0.907 391 Q HN 0.660 nan 8.270 nan 0.000 0.418 392 F N 0.773 120.657 119.950 -0.111 0.000 2.025 392 F HA -0.242 4.285 4.527 -0.000 0.000 0.297 392 F C 2.200 177.847 175.800 -0.254 0.000 1.132 392 F CA 1.592 59.498 58.000 -0.158 0.000 1.191 392 F CB -0.570 38.344 39.000 -0.144 0.000 0.963 392 F HN 0.029 nan 8.300 nan 0.000 0.481 393 I N -0.127 120.272 120.570 -0.286 0.000 2.151 393 I HA -0.321 3.849 4.170 -0.000 0.000 0.243 393 I C 2.439 178.299 176.117 -0.428 0.000 1.080 393 I CA 1.497 62.513 61.300 -0.473 0.000 1.339 393 I CB -0.702 37.017 38.000 -0.469 0.000 1.039 393 I HN 0.324 nan 8.210 nan 0.000 0.409 394 L N 0.556 121.629 121.223 -0.250 0.000 1.990 394 L HA -0.167 4.173 4.340 -0.000 0.000 0.213 394 L C 1.884 178.635 176.870 -0.199 0.000 1.072 394 L CA 1.583 56.330 54.840 -0.156 0.000 0.755 394 L CB -0.652 41.366 42.059 -0.069 0.000 0.889 394 L HN 0.167 nan 8.230 nan 0.000 0.432 398 T N 1.658 116.213 114.554 0.002 0.000 2.684 398 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 398 T C 1.684 176.432 174.700 0.080 0.000 1.036 398 T CA 2.060 64.219 62.100 0.099 0.000 1.148 398 T CB -0.263 68.657 68.868 0.086 0.000 0.863 398 T HN 0.415 nan 8.240 nan 0.000 0.436 399 A N 0.620 123.455 122.820 0.025 0.000 1.917 399 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 399 A C 2.077 179.702 177.584 0.069 0.000 1.182 399 A CA 2.038 54.097 52.037 0.037 0.000 0.633 399 A CB -1.149 17.857 19.000 0.009 0.000 0.819 399 A HN 0.637 nan 8.150 nan 0.000 0.448 400 Y N 0.283 120.594 120.300 0.018 0.000 2.070 400 Y HA -0.222 4.328 4.550 -0.000 0.000 0.280 400 Y C 2.093 177.933 175.900 -0.101 0.000 1.148 400 Y CA 1.846 59.953 58.100 0.012 0.000 1.125 400 Y CB -0.354 38.163 38.460 0.096 0.000 0.975 400 Y HN 0.176 nan 8.280 nan 0.000 0.492 401 L N 1.024 122.157 121.223 -0.150 0.000 2.013 401 L HA -0.306 4.034 4.340 -0.000 0.000 0.212 401 L C 2.121 178.683 176.870 -0.513 0.000 1.073 401 L CA 2.003 56.524 54.840 -0.531 0.000 0.753 401 L CB -1.684 39.839 42.059 -0.894 0.000 0.890 401 L HN 0.435 nan 8.230 nan 0.000 0.432 402 N N -0.397 118.182 118.700 -0.201 0.000 2.104 402 N HA -0.190 4.550 4.740 -0.000 0.000 0.190 402 N C 1.751 177.204 175.510 -0.094 0.000 1.024 402 N CA 0.871 53.915 53.050 -0.010 0.000 0.853 402 N CB -0.099 38.451 38.487 0.104 0.000 1.008 402 N HN 0.307 nan 8.380 nan 0.000 0.424 403 E N 1.213 121.325 120.200 -0.147 0.000 2.058 403 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 403 E C 2.186 178.660 176.600 -0.209 0.000 0.997 403 E CA 0.532 56.839 56.400 -0.156 0.000 0.801 403 E CB -0.301 29.301 29.700 -0.164 0.000 0.746 403 E HN 0.376 nan 8.360 nan 0.000 0.450 404 L N 0.407 121.425 121.223 -0.342 0.000 2.191 404 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 404 L C 2.741 179.496 176.870 -0.192 0.000 1.103 404 L CA 1.078 55.730 54.840 -0.314 0.000 0.769 404 L CB -0.280 41.519 42.059 -0.433 0.000 0.908 404 L HN 0.199 nan 8.230 nan 0.000 0.438 405 Q N 0.024 119.731 119.800 -0.155 0.000 2.083 405 Q HA -0.193 4.147 4.340 -0.000 0.000 0.198 405 Q C 1.648 177.621 176.000 -0.044 0.000 0.969 405 Q CA 1.564 57.328 55.803 -0.065 0.000 0.838 405 Q CB 0.213 28.963 28.738 0.021 0.000 0.900 405 Q HN 0.404 nan 8.270 nan 0.000 0.436 406 D N 0.145 120.517 120.400 -0.047 0.000 2.117 406 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 406 D C 1.922 178.196 176.300 -0.043 0.000 0.987 406 D CA 1.661 55.640 54.000 -0.034 0.000 0.829 406 D CB -0.296 40.485 40.800 -0.032 0.000 0.961 406 D HN 0.340 nan 8.370 nan 0.000 0.460 407 S N -0.756 114.905 115.700 -0.065 0.000 2.555 407 S HA 0.172 4.642 4.470 -0.000 0.000 0.230 407 S C 1.690 176.257 174.600 -0.054 0.000 0.978 407 S CA 0.626 58.789 58.200 -0.061 0.000 0.934 407 S CB -0.127 63.025 63.200 -0.080 0.000 0.766 407 S HN 0.364 nan 8.310 nan 0.000 0.533 408 G N 0.350 109.119 108.800 -0.053 0.000 2.182 408 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.248 408 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.248 408 G C 0.653 175.523 174.900 -0.051 0.000 1.042 408 G CA 0.079 45.154 45.100 -0.042 0.000 0.775 408 G HN 1.080 nan 8.290 nan 0.000 0.501 409 A N -0.719 122.056 122.820 -0.074 0.000 1.956 409 A HA 0.706 5.026 4.320 -0.000 0.000 0.212 409 A C 1.218 178.755 177.584 -0.078 0.000 1.188 409 A CA 1.508 53.494 52.037 -0.084 0.000 0.675 409 A CB 0.045 18.974 19.000 -0.118 0.000 0.845 409 A HN 1.617 nan 8.150 nan 0.000 0.455 410 I N -2.755 117.767 120.570 -0.080 0.000 2.865 410 I HA 0.711 4.881 4.170 -0.000 0.000 0.302 410 I C -0.529 175.578 176.117 -0.015 0.000 1.140 410 I CA -0.651 60.616 61.300 -0.055 0.000 1.021 410 I CB 2.433 40.379 38.000 -0.090 0.000 1.233 410 I HN 0.068 nan 8.210 nan 0.000 0.427 411 T N -0.715 113.849 114.554 0.017 0.000 2.907 411 T HA 0.466 4.816 4.350 -0.000 0.000 0.290 411 T C 0.067 174.809 174.700 0.071 0.000 1.066 411 T CA -0.768 61.354 62.100 0.038 0.000 1.012 411 T CB 1.361 70.239 68.868 0.017 0.000 1.184 411 T HN 0.799 nan 8.240 nan 0.000 0.522 412 N N -0.178 118.561 118.700 0.064 0.000 2.740 412 N HA -0.165 4.575 4.740 -0.000 0.000 0.248 412 N C -1.035 174.537 175.510 0.104 0.000 1.062 412 N CA 0.380 53.462 53.050 0.054 0.000 0.704 412 N CB -1.245 37.259 38.487 0.027 0.000 0.968 412 N HN 0.699 nan 8.380 nan 0.000 0.547 413 F N 1.813 121.752 119.950 -0.018 0.000 2.390 413 F HA 0.341 4.868 4.527 -0.000 0.000 0.361 413 F C 0.243 176.037 175.800 -0.011 0.000 1.124 413 F CA -1.530 56.462 58.000 -0.014 0.000 1.149 413 F CB 0.637 39.624 39.000 -0.021 0.000 1.160 413 F HN -0.059 nan 8.300 nan 0.000 0.501 414 D N 3.767 123.810 120.400 -0.596 0.000 2.443 414 D HA 0.204 4.844 4.640 -0.000 0.000 0.221 414 D C 0.727 176.541 176.300 -0.810 0.000 1.097 414 D CA -0.068 53.592 54.000 -0.567 0.000 0.865 414 D CB 1.261 41.911 40.800 -0.251 0.000 1.034 414 D HN 0.528 nan 8.370 nan 0.000 0.511 415 S N 1.705 116.875 115.700 -0.884 0.000 2.461 415 S HA -0.184 4.286 4.470 -0.000 0.000 0.246 415 S C 1.533 175.978 174.600 -0.259 0.000 1.007 415 S CA 1.303 59.164 58.200 -0.564 0.000 0.976 415 S CB -0.132 62.908 63.200 -0.267 0.000 0.763 415 S HN 0.607 nan 8.310 nan 0.000 0.508 416 T N 1.973 116.389 114.554 -0.229 0.000 2.824 416 T HA 0.228 4.578 4.350 -0.000 0.000 0.238 416 T C 1.233 175.890 174.700 -0.072 0.000 1.067 416 T CA 0.824 62.855 62.100 -0.115 0.000 1.286 416 T CB -0.262 68.549 68.868 -0.095 0.000 0.980 416 T HN 0.376 nan 8.240 nan 0.000 0.414 417 A N 1.306 124.087 122.820 -0.066 0.000 3.293 417 A HA 0.456 4.776 4.320 -0.000 0.000 0.282 417 A C 0.091 177.683 177.584 0.014 0.000 1.394 417 A CA -0.282 51.748 52.037 -0.011 0.000 1.118 417 A CB -0.283 18.716 19.000 -0.002 0.000 1.133 417 A HN 0.355 nan 8.150 nan 0.000 0.627 418 D N -0.969 119.448 120.400 0.027 0.000 2.368 418 D HA 0.157 4.797 4.640 -0.000 0.000 0.305 418 D C -0.703 175.714 176.300 0.195 0.000 1.143 418 D CA 0.252 54.322 54.000 0.116 0.000 0.847 418 D CB 0.724 41.586 40.800 0.103 0.000 1.357 418 D HN 0.445 nan 8.370 nan 0.000 0.526 419 I N 1.405 122.069 120.570 0.157 0.000 2.571 419 I HA 0.431 4.600 4.170 -0.000 0.000 0.289 419 I C -1.384 174.790 176.117 0.094 0.000 1.115 419 I CA -0.142 61.253 61.300 0.159 0.000 1.045 419 I CB 1.805 39.958 38.000 0.255 0.000 1.238 419 I HN -0.062 nan 8.210 nan 0.000 0.424 420 T N 4.467 119.068 114.554 0.077 0.000 2.933 420 T HA 0.861 5.211 4.350 -0.000 0.000 0.305 420 T C -1.180 173.559 174.700 0.065 0.000 1.092 420 T CA -0.719 61.422 62.100 0.068 0.000 1.008 420 T CB 1.469 70.385 68.868 0.079 0.000 1.102 420 T HN 0.384 nan 8.240 nan 0.000 0.469 421 V N 2.176 122.129 119.914 0.066 0.000 2.735 421 V HA 0.919 5.039 4.120 -0.000 0.000 0.310 421 V C 0.062 176.226 176.094 0.117 0.000 1.061 421 V CA -0.644 61.709 62.300 0.087 0.000 0.913 421 V CB 1.607 33.467 31.823 0.061 0.000 1.005 421 V HN 1.393 nan 8.190 nan 0.000 0.428 422 S N 3.635 119.425 115.700 0.150 0.000 2.819 422 S HA 0.773 5.243 4.470 -0.000 0.000 0.299 422 S C -1.422 173.256 174.600 0.130 0.000 1.192 422 S CA -0.922 57.356 58.200 0.130 0.000 0.847 422 S CB 1.535 64.785 63.200 0.084 0.000 1.224 422 S HN 0.366 nan 8.310 nan 0.000 0.537 423 L N 2.307 123.558 121.223 0.047 0.000 2.357 423 L HA 0.486 4.826 4.340 -0.000 0.000 0.273 423 L C 1.169 178.010 176.870 -0.050 0.000 1.080 423 L CA -0.221 54.590 54.840 -0.050 0.000 0.803 423 L CB 0.552 42.569 42.059 -0.069 0.000 1.174 423 L HN 0.975 nan 8.230 nan 0.000 0.443 424 N N 2.111 120.748 118.700 -0.104 0.000 2.678 424 N HA -0.133 4.607 4.740 -0.000 0.000 0.199 424 N C 0.857 176.337 175.510 -0.049 0.000 1.353 424 N CA 0.486 53.494 53.050 -0.069 0.000 0.916 424 N CB -0.159 38.269 38.487 -0.099 0.000 1.057 424 N HN 0.524 nan 8.380 nan 0.000 0.449 425 N N -0.850 117.826 118.700 -0.041 0.000 2.927 425 N HA -0.249 4.491 4.740 -0.000 0.000 0.220 425 N C -0.448 175.040 175.510 -0.036 0.000 0.845 425 N CA 1.464 54.496 53.050 -0.029 0.000 1.089 425 N CB -1.112 37.364 38.487 -0.018 0.000 0.994 425 N HN 0.501 nan 8.380 nan 0.000 0.616 426 N N 0.872 119.542 118.700 -0.050 0.000 2.204 426 N HA 0.113 4.853 4.740 -0.000 0.000 0.219 426 N C 0.643 176.110 175.510 -0.072 0.000 1.151 426 N CA 0.860 53.879 53.050 -0.051 0.000 0.867 426 N CB 0.836 39.295 38.487 -0.046 0.000 1.043 426 N HN 0.297 nan 8.380 nan 0.000 0.516 427 V N 0.275 120.133 119.914 -0.092 0.000 4.931 427 V HA -0.257 3.863 4.120 -0.000 0.000 0.254 427 V C 0.154 176.151 176.094 -0.161 0.000 0.620 427 V CA 1.799 64.021 62.300 -0.130 0.000 0.715 427 V CB -2.136 29.634 31.823 -0.088 0.000 0.589 427 V HN 0.472 nan 8.190 nan 0.000 0.982 428 D N -1.056 119.242 120.400 -0.170 0.000 2.540 428 D HA 0.490 5.130 4.640 -0.000 0.000 0.229 428 D C 0.595 176.777 176.300 -0.197 0.000 1.250 428 D CA 0.703 54.610 54.000 -0.154 0.000 0.817 428 D CB 1.163 41.911 40.800 -0.086 0.000 1.060 428 D HN 1.364 nan 8.370 nan 0.000 0.508 429 G N -0.377 108.236 108.800 -0.312 0.000 2.576 429 G HA2 0.485 4.445 3.960 -0.000 0.000 0.290 429 G HA3 0.485 4.445 3.960 -0.000 0.000 0.290 429 G C -1.945 172.682 174.900 -0.456 0.000 1.442 429 G CA -0.948 43.969 45.100 -0.304 0.000 0.792 429 G HN -0.011 nan 8.290 nan 0.000 0.491 430 F N -0.211 119.749 119.950 0.018 0.000 2.480 430 F HA 0.686 5.213 4.527 -0.000 0.000 0.329 430 F C 0.452 176.260 175.800 0.013 0.000 1.091 430 F CA -0.747 57.266 58.000 0.021 0.000 0.972 430 F CB 2.223 41.242 39.000 0.032 0.000 1.150 430 F HN 0.123 nan 8.300 nan 0.000 0.467 431 I N 3.242 123.932 120.570 0.199 0.000 2.378 431 I HA 0.454 4.623 4.170 -0.000 0.000 0.291 431 I C -1.078 175.106 176.117 0.111 0.000 0.992 431 I CA -0.915 60.454 61.300 0.115 0.000 1.154 431 I CB 1.784 39.829 38.000 0.076 0.000 1.315 431 I HN 0.200 nan 8.210 nan 0.000 0.448 432 V N 6.131 126.088 119.914 0.071 0.000 2.376 432 V HA 0.331 4.451 4.120 -0.000 0.000 0.287 432 V C -0.265 175.831 176.094 0.004 0.000 1.015 432 V CA -0.648 61.679 62.300 0.045 0.000 0.834 432 V CB 1.291 33.134 31.823 0.034 0.000 1.001 432 V HN 0.720 nan 8.190 nan 0.000 0.428 433 N N 5.005 123.702 118.700 -0.004 0.000 2.399 433 N HA 0.732 5.472 4.740 -0.000 0.000 0.295 433 N C -1.014 174.438 175.510 -0.096 0.000 1.048 433 N CA -0.781 52.203 53.050 -0.110 0.000 0.886 433 N CB 1.682 40.159 38.487 -0.016 0.000 1.185 433 N HN 0.771 nan 8.380 nan 0.000 0.487 434 Q N 0.015 119.696 119.800 -0.198 0.000 2.386 434 Q HA 0.425 4.764 4.340 -0.000 0.000 0.274 434 Q C -1.712 174.263 176.000 -0.041 0.000 1.011 434 Q CA -0.968 54.810 55.803 -0.040 0.000 0.867 434 Q CB 1.624 30.386 28.738 0.039 0.000 1.409 434 Q HN 0.249 nan 8.270 nan 0.000 0.395 435 S N 2.708 118.462 115.700 0.089 0.000 2.532 435 S HA 0.488 4.958 4.470 -0.000 0.000 0.318 435 S C -0.300 174.390 174.600 0.150 0.000 1.083 435 S CA -0.562 57.727 58.200 0.148 0.000 1.131 435 S CB 0.238 63.555 63.200 0.194 0.000 0.973 435 S HN 0.407 nan 8.310 nan 0.000 0.468 436 I N 2.275 122.914 120.570 0.114 0.000 2.707 436 I HA 0.509 4.679 4.170 -0.000 0.000 0.309 436 I C 0.415 176.604 176.117 0.121 0.000 1.001 436 I CA -0.887 60.461 61.300 0.080 0.000 1.129 436 I CB 1.391 39.374 38.000 -0.029 0.000 1.308 436 I HN 0.556 nan 8.210 nan 0.000 0.466 437 E N 5.138 125.391 120.200 0.089 0.000 2.279 437 E HA 0.419 4.769 4.350 -0.000 0.000 0.252 437 E C -2.637 174.000 176.600 0.062 0.000 0.894 437 E CA -1.862 54.596 56.400 0.096 0.000 0.785 437 E CB 2.176 31.899 29.700 0.038 0.000 1.237 437 E HN 0.233 nan 8.360 nan 0.000 0.418 438 P HA -0.070 nan 4.420 nan 0.000 0.268 438 P C 1.170 178.473 177.300 0.006 0.000 1.204 438 P CA -0.157 62.944 63.100 0.001 0.000 0.768 438 P CB 0.908 32.583 31.700 -0.042 0.000 0.842 439 V N 1.950 121.854 119.914 -0.017 0.000 2.300 439 V HA -0.320 3.800 4.120 -0.000 0.000 0.247 439 V C 0.537 176.629 176.094 -0.004 0.000 1.018 439 V CA 1.969 64.262 62.300 -0.012 0.000 1.089 439 V CB -1.814 29.997 31.823 -0.020 0.000 0.741 439 V HN 0.417 nan 8.190 nan 0.000 0.500 440 D N 2.358 122.754 120.400 -0.007 0.000 2.517 440 D HA 0.530 5.170 4.640 -0.000 0.000 0.220 440 D C 0.225 176.525 176.300 0.000 0.000 1.158 440 D CA 1.109 55.107 54.000 -0.004 0.000 0.992 440 D CB 0.036 40.833 40.800 -0.005 0.000 1.058 440 D HN 0.982 nan 8.370 nan 0.000 0.516 441 S N -0.723 114.981 115.700 0.007 0.000 2.240 441 S HA 0.245 4.715 4.470 -0.000 0.000 0.234 441 S C 0.271 174.865 174.600 -0.009 0.000 0.850 441 S CA -1.190 57.020 58.200 0.017 0.000 1.015 441 S CB -0.010 63.236 63.200 0.077 0.000 1.268 441 S HN 0.242 nan 8.310 nan 0.000 0.384 442 G N 1.671 110.452 108.800 -0.032 0.000 2.764 442 G HA2 0.408 4.368 3.960 -0.000 0.000 0.278 442 G HA3 0.408 4.368 3.960 -0.000 0.000 0.278 442 G C -0.035 174.796 174.900 -0.115 0.000 0.686 442 G CA 0.270 45.335 45.100 -0.057 0.000 2.105 442 G HN 0.913 nan 8.290 nan 0.000 0.562 443 E N 0.825 120.914 120.200 -0.186 0.000 2.597 443 E HA 0.139 4.489 4.350 -0.000 0.000 0.310 443 E C -0.837 175.411 176.600 -0.587 0.000 0.970 443 E CA -0.713 55.450 56.400 -0.395 0.000 0.819 443 E CB 1.198 30.575 29.700 -0.538 0.000 1.267 443 E HN 0.185 nan 8.360 nan 0.000 0.411 444 K N 3.424 123.573 120.400 -0.418 0.000 2.234 444 K HA 0.373 4.693 4.320 -0.000 0.000 0.282 444 K C -0.918 175.457 176.600 -0.374 0.000 1.039 444 K CA -0.304 55.828 56.287 -0.260 0.000 0.928 444 K CB 0.670 33.133 32.500 -0.062 0.000 1.039 444 K HN 0.207 nan 8.250 nan 0.000 0.470 445 F N 1.883 121.870 119.950 0.061 0.000 2.422 445 F HA 0.236 4.763 4.527 -0.000 0.000 0.333 445 F C -0.012 175.930 175.800 0.237 0.000 1.095 445 F CA -0.942 57.144 58.000 0.144 0.000 1.038 445 F CB 0.707 39.742 39.000 0.059 0.000 1.156 445 F HN 0.400 nan 8.300 nan 0.000 0.483 446 Y N 2.980 123.519 120.300 0.398 0.000 2.326 446 Y HA 0.540 5.090 4.550 -0.000 0.000 0.337 446 Y C -1.551 174.679 175.900 0.549 0.000 1.023 446 Y CA -0.870 57.439 58.100 0.349 0.000 1.143 446 Y CB 0.451 39.042 38.460 0.218 0.000 1.183 446 Y HN 0.437 nan 8.280 nan 0.000 0.485 447 F N 3.460 123.224 119.950 -0.310 0.000 2.547 447 F HA 0.431 4.958 4.527 -0.000 0.000 0.316 447 F C -0.419 175.163 175.800 -0.363 0.000 1.121 447 F CA -0.891 56.995 58.000 -0.190 0.000 0.911 447 F CB 2.286 41.248 39.000 -0.063 0.000 1.179 447 F HN 0.369 nan 8.300 nan 0.000 0.443 448 T N 2.823 117.238 114.554 -0.232 0.000 2.890 448 T HA 0.604 4.954 4.350 -0.000 0.000 0.295 448 T C -0.957 173.677 174.700 -0.110 0.000 0.993 448 T CA -0.213 61.800 62.100 -0.146 0.000 0.979 448 T CB 0.592 69.444 68.868 -0.027 0.000 0.967 448 T HN 0.555 nan 8.240 nan 0.000 0.441 449 T N 4.623 119.143 114.554 -0.056 0.000 2.829 449 T HA 0.480 4.830 4.350 -0.000 0.000 0.280 449 T C -0.762 173.933 174.700 -0.007 0.000 0.999 449 T CA -0.671 61.402 62.100 -0.046 0.000 0.983 449 T CB 1.619 70.469 68.868 -0.031 0.000 0.968 449 T HN 0.708 nan 8.240 nan 0.000 0.446 450 E N 2.791 122.985 120.200 -0.009 0.000 2.158 450 E HA 0.606 4.956 4.350 -0.000 0.000 0.271 450 E C -1.053 175.563 176.600 0.026 0.000 0.911 450 E CA -0.566 55.847 56.400 0.021 0.000 0.767 450 E CB 0.958 30.662 29.700 0.007 0.000 1.120 450 E HN 0.325 nan 8.360 nan 0.000 0.405 451 V N 0.000 119.959 119.914 0.075 0.000 2.409 451 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 451 V CA 0.000 62.350 62.300 0.083 0.000 1.235 451 V CB 0.000 31.881 31.823 0.097 0.000 1.184 451 V HN 0.000 nan 8.190 nan 0.000 0.556