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 3lkh_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINPLSNSL LRHHNMVYAT TSRSASLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSIEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSRAVNHIR SVWEDLLEDT ETPIDTTIMA KSEVFCVQXX DATA SEQUENCE XXXRKPARLI VFPDLGVRVC EKMALYDVVS TLPQAVMGSS YGFQYSPKQR DATA SEQUENCE VEFLVNTWKS KKCPMGFSYD TRCFDSTVTE SDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIRSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAT DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAAALRAFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPINSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLG KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFTLHSYSPG EINRVASCLR KLGVPPLRTW DATA SEQUENCE RHRARSVRAK LLSQGGRAAI CGRYLFNWAV RTKLKLTPIP XXXXLDLSGW DATA SEQUENCE FVAGYSGGDI YHS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.576 174.600 -0.040 0.000 1.055 1 S CA 0.000 58.184 58.200 -0.026 0.000 1.107 1 S CB 0.000 63.177 63.200 -0.039 0.000 0.593 2 M N 3.017 122.586 119.600 -0.052 0.000 2.217 2 M HA 0.289 4.769 4.480 -0.000 0.000 0.354 2 M C 1.840 178.034 176.300 -0.177 0.000 1.225 2 M CA -0.054 55.199 55.300 -0.077 0.000 1.137 2 M CB 0.657 33.228 32.600 -0.049 0.000 1.576 2 M HN 1.024 nan 8.290 nan 0.000 0.461 3 S N 2.743 118.273 115.700 -0.282 0.000 2.382 3 S HA -0.075 4.395 4.470 -0.000 0.000 0.228 3 S C 0.140 174.345 174.600 -0.658 0.000 1.027 3 S CA 0.934 58.846 58.200 -0.480 0.000 0.991 3 S CB -0.186 62.655 63.200 -0.598 0.000 0.823 3 S HN 0.655 nan 8.310 nan 0.000 0.469 4 Y N 0.591 120.719 120.300 -0.286 0.000 2.588 4 Y HA 0.574 5.124 4.550 0.000 0.000 0.343 4 Y C -0.062 175.530 175.900 -0.513 0.000 1.065 4 Y CA -0.860 56.949 58.100 -0.484 0.000 1.038 4 Y CB 2.019 40.041 38.460 -0.730 0.000 1.297 4 Y HN 0.135 nan 8.280 nan 0.000 0.467 5 T N -2.412 111.857 114.554 -0.474 0.000 2.900 5 T HA 0.712 5.062 4.350 -0.000 0.000 0.295 5 T C -1.516 172.861 174.700 -0.540 0.000 1.044 5 T CA -0.812 61.079 62.100 -0.349 0.000 0.995 5 T CB 1.267 70.070 68.868 -0.108 0.000 1.072 5 T HN 0.557 nan 8.240 nan 0.000 0.473 6 W N 0.894 122.249 121.300 0.092 0.000 2.819 6 W HA 0.479 5.140 4.660 0.000 0.000 0.337 6 W C 1.343 177.892 176.519 0.050 0.000 1.077 6 W CA -0.751 56.634 57.345 0.066 0.000 1.226 6 W CB 2.248 31.731 29.460 0.039 0.000 1.419 6 W HN 0.916 nan 8.180 nan 0.000 0.502 7 T N -2.110 112.619 114.554 0.291 0.000 3.067 7 T HA 0.312 4.662 4.350 -0.000 0.000 0.257 7 T C 1.427 176.213 174.700 0.144 0.000 1.105 7 T CA 0.907 63.110 62.100 0.171 0.000 1.104 7 T CB 0.064 69.010 68.868 0.130 0.000 0.925 7 T HN 1.215 nan 8.240 nan 0.000 0.498 8 G N 1.211 110.107 108.800 0.161 0.000 2.238 8 G HA2 0.022 3.982 3.960 -0.000 0.000 0.217 8 G HA3 0.022 3.982 3.960 -0.000 0.000 0.217 8 G C 0.390 175.322 174.900 0.054 0.000 0.996 8 G CA -0.158 44.992 45.100 0.083 0.000 0.632 8 G HN 1.099 nan 8.290 nan 0.000 0.503 9 A N 0.785 123.652 122.820 0.077 0.000 2.483 9 A HA 0.624 4.944 4.320 -0.000 0.000 0.238 9 A C 0.795 178.395 177.584 0.027 0.000 1.070 9 A CA 0.334 52.403 52.037 0.053 0.000 0.770 9 A CB 0.183 19.223 19.000 0.067 0.000 1.008 9 A HN 0.898 nan 8.150 nan 0.000 0.497 10 L N 1.341 122.565 121.223 0.002 0.000 2.439 10 L HA 0.306 4.646 4.340 -0.000 0.000 0.261 10 L C 0.029 176.885 176.870 -0.023 0.000 1.153 10 L CA -0.397 54.424 54.840 -0.032 0.000 0.808 10 L CB 0.796 42.838 42.059 -0.030 0.000 1.126 10 L HN 0.570 nan 8.230 nan 0.000 0.460 11 I N 1.568 122.103 120.570 -0.058 0.000 2.347 11 I HA 0.054 4.224 4.170 -0.000 0.000 0.294 11 I C 0.483 176.592 176.117 -0.014 0.000 1.090 11 I CA 0.048 61.328 61.300 -0.034 0.000 1.314 11 I CB 0.498 38.456 38.000 -0.070 0.000 1.423 11 I HN 0.643 nan 8.210 nan 0.000 0.503 12 T N 5.062 119.620 114.554 0.006 0.000 2.928 12 T HA 0.604 4.954 4.350 -0.000 0.000 0.284 12 T C -2.498 172.219 174.700 0.027 0.000 1.008 12 T CA -1.967 60.141 62.100 0.013 0.000 1.057 12 T CB 1.750 70.627 68.868 0.014 0.000 1.018 12 T HN 0.230 nan 8.240 nan 0.000 0.493 13 P HA 0.340 nan 4.420 nan 0.000 0.285 13 P C 0.327 177.651 177.300 0.041 0.000 1.269 13 P CA -0.873 62.253 63.100 0.043 0.000 0.844 13 P CB 0.974 32.699 31.700 0.043 0.000 1.094 14 C N -0.631 118.698 119.300 0.048 0.000 2.884 14 C HA 0.829 5.289 4.460 -0.000 0.000 0.287 14 C C 0.683 175.697 174.990 0.039 0.000 1.310 14 C CA -0.486 58.556 59.018 0.041 0.000 1.725 14 C CB -1.209 26.557 27.740 0.044 0.000 2.060 14 C HN 0.692 nan 8.230 nan 0.000 0.618 15 A N 0.157 123.003 122.820 0.044 0.000 2.564 15 A HA 0.810 5.130 4.320 -0.000 0.000 0.291 15 A C -0.479 177.136 177.584 0.051 0.000 1.102 15 A CA 0.043 52.107 52.037 0.045 0.000 0.660 15 A CB -0.267 18.763 19.000 0.049 0.000 1.283 15 A HN 1.278 nan 8.150 nan 0.000 0.430 16 A N 0.123 122.974 122.820 0.052 0.000 2.498 16 A HA 0.523 4.843 4.320 -0.000 0.000 0.239 16 A C 0.015 177.645 177.584 0.076 0.000 1.068 16 A CA 0.396 52.468 52.037 0.059 0.000 0.766 16 A CB -0.258 18.775 19.000 0.055 0.000 1.003 16 A HN 0.632 nan 8.150 nan 0.000 0.497 17 E N 1.230 121.480 120.200 0.083 0.000 2.171 17 E HA 0.321 4.671 4.350 -0.000 0.000 0.271 17 E C -0.927 175.757 176.600 0.140 0.000 0.916 17 E CA -0.498 55.966 56.400 0.107 0.000 0.774 17 E CB 1.858 31.612 29.700 0.090 0.000 1.128 17 E HN 0.704 nan 8.360 nan 0.000 0.403 18 E N 1.311 121.633 120.200 0.203 0.000 2.174 18 E HA 0.115 4.465 4.350 -0.000 0.000 0.282 18 E C 0.077 176.903 176.600 0.376 0.000 0.992 18 E CA -0.109 56.462 56.400 0.284 0.000 0.803 18 E CB 1.108 31.030 29.700 0.370 0.000 1.090 18 E HN 0.589 nan 8.360 nan 0.000 0.396 19 S N 2.909 118.808 115.700 0.333 0.000 2.526 19 S HA 0.173 4.643 4.470 -0.000 0.000 0.220 19 S C 0.380 175.259 174.600 0.464 0.000 1.017 19 S CA -0.301 58.106 58.200 0.345 0.000 0.930 19 S CB 0.440 63.777 63.200 0.228 0.000 0.856 19 S HN 0.228 nan 8.310 nan 0.000 0.497 20 K N 1.104 121.760 120.400 0.426 0.000 2.203 20 K HA 0.493 4.813 4.320 -0.000 0.000 0.251 20 K C -1.289 175.444 176.600 0.221 0.000 0.944 20 K CA -0.948 55.551 56.287 0.354 0.000 0.829 20 K CB 1.798 34.418 32.500 0.201 0.000 1.125 20 K HN 0.132 nan 8.250 nan 0.000 0.430 21 L N 4.358 125.727 121.223 0.243 0.000 2.477 21 L HA 0.175 4.515 4.340 -0.000 0.000 0.272 21 L C -2.376 174.402 176.870 -0.154 0.000 1.157 21 L CA -1.142 53.670 54.840 -0.047 0.000 0.889 21 L CB -0.031 42.139 42.059 0.184 0.000 1.158 21 L HN 0.417 nan 8.230 nan 0.000 0.473 22 P HA 0.142 nan 4.420 nan 0.000 0.271 22 P C -0.728 176.429 177.300 -0.239 0.000 1.233 22 P CA 0.064 63.017 63.100 -0.245 0.000 0.789 22 P CB 0.416 31.959 31.700 -0.261 0.000 0.951 23 I N 2.119 122.530 120.570 -0.266 0.000 2.287 23 I HA 0.255 4.425 4.170 -0.000 0.000 0.290 23 I C 0.529 176.550 176.117 -0.160 0.000 1.069 23 I CA -0.070 61.050 61.300 -0.300 0.000 1.237 23 I CB -0.136 37.642 38.000 -0.371 0.000 1.418 23 I HN 0.291 nan 8.210 nan 0.000 0.481 24 N N 8.942 127.574 118.700 -0.114 0.000 2.287 24 N HA 0.347 5.087 4.740 -0.000 0.000 0.289 24 N C -2.317 173.170 175.510 -0.039 0.000 1.066 24 N CA -1.683 51.323 53.050 -0.074 0.000 0.841 24 N CB 3.195 41.633 38.487 -0.082 0.000 1.599 24 N HN 0.057 nan 8.380 nan 0.000 0.476 25 P HA -0.103 nan 4.420 nan 0.000 0.215 25 P C 1.626 178.926 177.300 0.000 0.000 1.153 25 P CA 1.102 64.192 63.100 -0.015 0.000 0.853 25 P CB 0.607 32.295 31.700 -0.020 0.000 0.788 26 L N 0.187 121.412 121.223 0.002 0.000 2.056 26 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 26 L C 2.871 179.802 176.870 0.102 0.000 1.078 26 L CA 2.156 57.012 54.840 0.027 0.000 0.749 26 L CB -1.237 40.817 42.059 -0.008 0.000 0.901 26 L HN 0.114 nan 8.230 nan 0.000 0.433 27 S N -0.774 114.963 115.700 0.062 0.000 2.414 27 S HA -0.156 4.314 4.470 -0.000 0.000 0.227 27 S C 1.709 176.335 174.600 0.043 0.000 1.022 27 S CA 1.154 59.389 58.200 0.058 0.000 0.958 27 S CB -0.615 62.598 63.200 0.022 0.000 0.797 27 S HN 0.386 nan 8.310 nan 0.000 0.493 28 N N 1.640 120.361 118.700 0.036 0.000 2.289 28 N HA -0.003 4.737 4.740 -0.000 0.000 0.184 28 N C 1.546 177.074 175.510 0.031 0.000 1.016 28 N CA 1.253 54.327 53.050 0.040 0.000 0.872 28 N CB -0.437 38.068 38.487 0.030 0.000 0.973 28 N HN 0.400 nan 8.380 nan 0.000 0.433 29 S N -0.381 115.342 115.700 0.039 0.000 2.428 29 S HA -0.025 4.445 4.470 -0.000 0.000 0.230 29 S C 1.528 176.161 174.600 0.055 0.000 1.014 29 S CA 0.529 58.740 58.200 0.018 0.000 0.957 29 S CB -0.126 63.095 63.200 0.035 0.000 0.784 29 S HN 0.412 nan 8.310 nan 0.000 0.499 30 L N 0.112 121.392 121.223 0.094 0.000 2.221 30 L HA 0.494 4.834 4.340 -0.000 0.000 0.202 30 L C 0.210 177.141 176.870 0.102 0.000 1.074 30 L CA 1.208 56.118 54.840 0.116 0.000 0.795 30 L CB 0.166 42.014 42.059 -0.352 0.000 0.960 30 L HN 0.256 nan 8.230 nan 0.000 0.458 31 L N -0.760 120.480 121.223 0.030 0.000 2.476 31 L HA 0.408 4.748 4.340 -0.000 0.000 0.269 31 L C 0.364 177.240 176.870 0.009 0.000 0.965 31 L CA -0.574 54.270 54.840 0.007 0.000 0.845 31 L CB 1.478 43.546 42.059 0.015 0.000 1.259 31 L HN -0.096 nan 8.230 nan 0.000 0.403 32 R N 0.797 121.256 120.500 -0.070 0.000 2.100 32 R HA 0.145 4.485 4.340 -0.000 0.000 0.220 32 R C 0.243 176.584 176.300 0.070 0.000 1.091 32 R CA 0.965 57.053 56.100 -0.020 0.000 0.986 32 R CB -0.158 30.098 30.300 -0.073 0.000 0.888 32 R HN 0.611 nan 8.270 nan 0.000 0.444 33 H N 0.632 119.710 119.070 0.014 0.000 2.998 33 H HA 0.015 4.571 4.556 -0.000 0.000 0.241 33 H C 0.640 175.929 175.328 -0.064 0.000 1.852 33 H CA -0.223 55.783 56.048 -0.069 0.000 1.419 33 H CB -0.094 29.646 29.762 -0.037 0.000 1.793 33 H HN 0.453 nan 8.280 nan 0.000 0.553 34 H N -0.483 118.683 119.070 0.161 0.000 2.422 34 H HA -0.121 4.435 4.556 -0.000 0.000 0.298 34 H C 1.343 176.758 175.328 0.145 0.000 1.098 34 H CA 1.037 57.160 56.048 0.125 0.000 1.315 34 H CB 0.006 29.814 29.762 0.077 0.000 1.382 34 H HN 0.348 nan 8.280 nan 0.000 0.523 35 N N 0.161 118.795 118.700 -0.109 0.000 2.550 35 N HA -0.031 4.709 4.740 -0.000 0.000 0.186 35 N C 1.101 176.676 175.510 0.110 0.000 1.110 35 N CA 0.831 53.909 53.050 0.047 0.000 0.912 35 N CB -0.048 38.400 38.487 -0.065 0.000 0.968 35 N HN 0.542 nan 8.380 nan 0.000 0.448 36 M N -0.302 119.374 119.600 0.127 0.000 2.541 36 M HA 0.078 4.558 4.480 -0.000 0.000 0.252 36 M C -0.031 176.426 176.300 0.263 0.000 1.125 36 M CA 0.319 55.719 55.300 0.166 0.000 1.091 36 M CB 0.774 33.460 32.600 0.143 0.000 1.420 36 M HN -0.265 nan 8.290 nan 0.000 0.486 37 V N 1.385 121.466 119.914 0.279 0.000 2.394 37 V HA 0.292 4.412 4.120 -0.000 0.000 0.282 37 V C -0.864 175.475 176.094 0.408 0.000 1.031 37 V CA -0.700 61.778 62.300 0.297 0.000 0.881 37 V CB 0.524 32.510 31.823 0.271 0.000 0.982 37 V HN 0.290 nan 8.190 nan 0.000 0.451 38 Y N 2.885 123.316 120.300 0.218 0.000 2.581 38 Y HA 0.920 5.470 4.550 -0.000 0.000 0.345 38 Y C -0.362 175.538 175.900 0.000 0.000 1.036 38 Y CA -1.510 56.707 58.100 0.196 0.000 1.042 38 Y CB 1.654 40.208 38.460 0.156 0.000 1.289 38 Y HN 0.659 nan 8.280 nan 0.000 0.471 39 A N 1.843 124.631 122.820 -0.052 0.000 2.330 39 A HA 0.659 4.979 4.320 -0.000 0.000 0.327 39 A C 0.008 177.632 177.584 0.066 0.000 1.155 39 A CA -0.368 51.457 52.037 -0.353 0.000 0.803 39 A CB 0.296 18.824 19.000 -0.785 0.000 1.208 39 A HN 1.035 nan 8.150 nan 0.000 0.477 40 T N 0.192 114.793 114.554 0.079 0.000 2.898 40 T HA 0.540 4.890 4.350 -0.000 0.000 0.301 40 T C 0.443 175.202 174.700 0.099 0.000 1.049 40 T CA 0.400 62.613 62.100 0.188 0.000 1.095 40 T CB 0.737 69.731 68.868 0.209 0.000 0.976 40 T HN 1.423 nan 8.240 nan 0.000 0.539 41 T N -2.343 112.271 114.554 0.100 0.000 2.838 41 T HA 0.482 4.832 4.350 -0.000 0.000 0.292 41 T C 1.351 176.082 174.700 0.052 0.000 1.113 41 T CA -0.241 61.903 62.100 0.072 0.000 1.008 41 T CB 1.213 70.128 68.868 0.079 0.000 1.259 41 T HN 0.775 nan 8.240 nan 0.000 0.520 42 S N -0.059 115.666 115.700 0.040 0.000 2.500 42 S HA -0.110 4.360 4.470 -0.000 0.000 0.239 42 S C 1.669 176.271 174.600 0.003 0.000 0.989 42 S CA 0.397 58.608 58.200 0.019 0.000 0.951 42 S CB -0.704 62.508 63.200 0.020 0.000 0.759 42 S HN 0.723 nan 8.310 nan 0.000 0.523 43 R N 1.469 121.978 120.500 0.015 0.000 2.237 43 R HA 0.022 4.362 4.340 -0.000 0.000 0.219 43 R C 2.047 178.341 176.300 -0.009 0.000 1.080 43 R CA 1.294 57.397 56.100 0.003 0.000 0.995 43 R CB -0.373 29.937 30.300 0.016 0.000 0.875 43 R HN 0.722 nan 8.270 nan 0.000 0.462 44 S N -0.681 115.018 115.700 -0.002 0.000 2.540 44 S HA 0.243 4.713 4.470 -0.000 0.000 0.218 44 S C 1.865 176.443 174.600 -0.037 0.000 0.977 44 S CA 0.125 58.316 58.200 -0.015 0.000 0.918 44 S CB 0.825 64.029 63.200 0.006 0.000 0.806 44 S HN 0.251 nan 8.310 nan 0.000 0.496 45 A N 2.998 125.789 122.820 -0.048 0.000 1.917 45 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 45 A C 2.483 179.971 177.584 -0.160 0.000 1.182 45 A CA 2.225 54.208 52.037 -0.091 0.000 0.633 45 A CB -1.417 17.527 19.000 -0.094 0.000 0.819 45 A HN 0.871 nan 8.150 nan 0.000 0.448 46 S N -0.027 115.574 115.700 -0.163 0.000 2.399 46 S HA -0.093 4.377 4.470 -0.000 0.000 0.231 46 S C 1.851 176.358 174.600 -0.155 0.000 1.022 46 S CA 1.422 59.497 58.200 -0.208 0.000 0.983 46 S CB -0.724 62.377 63.200 -0.166 0.000 0.803 46 S HN 0.476 nan 8.310 nan 0.000 0.480 47 L N 0.667 121.832 121.223 -0.096 0.000 2.056 47 L HA -0.015 4.325 4.340 -0.000 0.000 0.207 47 L C 3.083 179.924 176.870 -0.048 0.000 1.078 47 L CA 1.548 56.352 54.840 -0.060 0.000 0.749 47 L CB -0.452 41.582 42.059 -0.041 0.000 0.901 47 L HN 0.308 nan 8.230 nan 0.000 0.433 48 R N 0.508 120.974 120.500 -0.057 0.000 2.092 48 R HA -0.154 4.186 4.340 -0.000 0.000 0.231 48 R C 2.219 178.490 176.300 -0.047 0.000 1.119 48 R CA 1.483 57.565 56.100 -0.029 0.000 0.970 48 R CB -0.343 29.944 30.300 -0.022 0.000 0.864 48 R HN 0.366 nan 8.270 nan 0.000 0.440 49 Q N 0.009 119.713 119.800 -0.161 0.000 2.135 49 Q HA -0.203 4.137 4.340 -0.000 0.000 0.204 49 Q C 1.953 177.942 176.000 -0.019 0.000 0.981 49 Q CA 2.006 57.671 55.803 -0.230 0.000 0.856 49 Q CB -0.196 28.096 28.738 -0.742 0.000 0.902 49 Q HN 0.317 nan 8.270 nan 0.000 0.425 50 K N 1.151 121.534 120.400 -0.028 0.000 2.057 50 K HA -0.163 4.157 4.320 -0.000 0.000 0.207 50 K C 1.780 178.465 176.600 0.142 0.000 1.049 50 K CA 1.232 57.556 56.287 0.062 0.000 0.931 50 K CB 0.151 32.664 32.500 0.022 0.000 0.714 50 K HN 0.037 nan 8.250 nan 0.000 0.440 51 K N 0.396 120.870 120.400 0.122 0.000 2.097 51 K HA -0.086 4.234 4.320 -0.000 0.000 0.205 51 K C 1.961 178.760 176.600 0.332 0.000 1.050 51 K CA 1.546 57.943 56.287 0.182 0.000 0.938 51 K CB -0.074 32.499 32.500 0.123 0.000 0.718 51 K HN 0.221 nan 8.250 nan 0.000 0.442 52 V N -0.911 119.167 119.914 0.273 0.000 3.573 52 V HA 0.034 4.154 4.120 -0.000 0.000 0.270 52 V C 0.447 176.674 176.094 0.222 0.000 1.221 52 V CA 0.347 62.828 62.300 0.303 0.000 1.163 52 V CB -0.344 31.605 31.823 0.210 0.000 0.847 52 V HN -0.020 nan 8.190 nan 0.000 0.468 53 T N 4.334 119.069 114.554 0.303 0.000 2.753 53 T HA 0.715 5.065 4.350 -0.000 0.000 0.297 53 T C -0.758 174.104 174.700 0.270 0.000 0.981 53 T CA -0.033 62.223 62.100 0.259 0.000 0.956 53 T CB 0.266 69.392 68.868 0.429 0.000 0.936 53 T HN 0.650 nan 8.240 nan 0.000 0.463 54 F N -0.085 119.961 119.950 0.160 0.000 2.807 54 F HA 0.643 5.170 4.527 -0.000 0.000 0.316 54 F C -1.345 174.491 175.800 0.059 0.000 1.162 54 F CA -1.691 56.368 58.000 0.098 0.000 0.910 54 F CB 0.684 39.733 39.000 0.083 0.000 1.314 54 F HN 0.229 nan 8.300 nan 0.000 0.454 55 D N 0.731 121.319 120.400 0.314 0.000 2.256 55 D HA 0.482 5.122 4.640 -0.000 0.000 0.250 55 D C -0.914 175.532 176.300 0.245 0.000 1.093 55 D CA -0.089 54.017 54.000 0.176 0.000 0.882 55 D CB 1.033 41.901 40.800 0.114 0.000 1.185 55 D HN 0.592 nan 8.370 nan 0.000 0.437 56 R N 2.504 123.086 120.500 0.137 0.000 2.338 56 R HA 0.550 4.890 4.340 -0.000 0.000 0.317 56 R C -0.912 175.428 176.300 0.066 0.000 0.968 56 R CA -0.608 55.574 56.100 0.136 0.000 0.849 56 R CB 1.051 31.400 30.300 0.082 0.000 1.128 56 R HN 0.352 nan 8.270 nan 0.000 0.448 57 L N 2.726 123.983 121.223 0.057 0.000 2.301 57 L HA 0.384 4.724 4.340 -0.000 0.000 0.278 57 L C -0.452 176.424 176.870 0.009 0.000 1.022 57 L CA 0.016 54.869 54.840 0.023 0.000 0.854 57 L CB 1.426 43.495 42.059 0.016 0.000 1.226 57 L HN 0.503 nan 8.230 nan 0.000 0.429 58 Q N 2.440 122.237 119.800 -0.004 0.000 2.293 58 Q HA 0.708 5.048 4.340 -0.000 0.000 0.261 58 Q C -1.530 174.451 176.000 -0.030 0.000 0.960 58 Q CA -0.616 55.178 55.803 -0.016 0.000 0.882 58 Q CB 1.981 30.698 28.738 -0.035 0.000 1.275 58 Q HN 0.388 nan 8.270 nan 0.000 0.445 59 V N 5.897 125.799 119.914 -0.019 0.000 2.409 59 V HA 0.359 4.479 4.120 -0.000 0.000 0.290 59 V C -0.418 175.674 176.094 -0.003 0.000 1.017 59 V CA -0.640 61.645 62.300 -0.026 0.000 0.841 59 V CB 1.272 33.080 31.823 -0.025 0.000 1.003 59 V HN 0.752 nan 8.190 nan 0.000 0.426 60 L N 4.736 125.902 121.223 -0.094 0.000 2.379 60 L HA 0.756 5.096 4.340 -0.000 0.000 0.269 60 L C -0.079 176.787 176.870 -0.007 0.000 1.084 60 L CA -0.431 54.307 54.840 -0.170 0.000 0.802 60 L CB 1.341 43.108 42.059 -0.486 0.000 1.175 60 L HN 0.752 nan 8.230 nan 0.000 0.448 61 D N -1.619 118.843 120.400 0.103 0.000 2.781 61 D HA 0.188 4.828 4.640 -0.000 0.000 0.295 61 D C 0.039 176.404 176.300 0.108 0.000 1.143 61 D CA -0.599 53.464 54.000 0.105 0.000 1.076 61 D CB 0.484 41.361 40.800 0.128 0.000 1.444 61 D HN 0.281 nan 8.370 nan 0.000 0.567 62 D N -1.188 119.222 120.400 0.018 0.000 2.149 62 D HA -0.151 4.489 4.640 -0.000 0.000 0.198 62 D C 1.680 177.983 176.300 0.005 0.000 0.990 62 D CA 1.271 55.252 54.000 -0.032 0.000 0.839 62 D CB -0.225 40.495 40.800 -0.135 0.000 0.948 62 D HN 0.398 nan 8.370 nan 0.000 0.460 63 H N -0.951 118.193 119.070 0.123 0.000 2.387 63 H HA -0.138 4.418 4.556 -0.000 0.000 0.299 63 H C 1.963 177.346 175.328 0.092 0.000 1.090 63 H CA 0.963 57.077 56.048 0.110 0.000 1.332 63 H CB -0.539 29.309 29.762 0.144 0.000 1.386 63 H HN 0.308 nan 8.280 nan 0.000 0.516 64 Y N 1.933 122.282 120.300 0.083 0.000 2.163 64 Y HA -0.166 4.384 4.550 -0.000 0.000 0.288 64 Y C 2.609 178.465 175.900 -0.073 0.000 1.136 64 Y CA 1.388 59.414 58.100 -0.122 0.000 1.147 64 Y CB -0.053 38.223 38.460 -0.307 0.000 0.987 64 Y HN -0.064 nan 8.280 nan 0.000 0.509 65 R N 0.059 120.683 120.500 0.206 0.000 2.096 65 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 65 R C 1.706 178.011 176.300 0.009 0.000 1.127 65 R CA 1.501 57.662 56.100 0.101 0.000 0.968 65 R CB -0.358 30.008 30.300 0.109 0.000 0.861 65 R HN 0.397 nan 8.270 nan 0.000 0.440 66 D N 0.143 120.560 120.400 0.027 0.000 2.084 66 D HA -0.116 4.524 4.640 -0.000 0.000 0.194 66 D C 2.004 178.298 176.300 -0.011 0.000 0.990 66 D CA 1.073 55.086 54.000 0.022 0.000 0.826 66 D CB -0.277 40.562 40.800 0.066 0.000 0.971 66 D HN -0.033 nan 8.370 nan 0.000 0.453 67 V N 1.137 121.029 119.914 -0.037 0.000 2.343 67 V HA -0.206 3.914 4.120 -0.000 0.000 0.247 67 V C 2.455 178.476 176.094 -0.123 0.000 1.051 67 V CA 1.052 63.305 62.300 -0.078 0.000 1.036 67 V CB -0.512 31.238 31.823 -0.121 0.000 0.654 67 V HN 0.141 nan 8.190 nan 0.000 0.451 68 L N 0.502 121.589 121.223 -0.227 0.000 2.012 68 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 68 L C 2.363 179.171 176.870 -0.102 0.000 1.073 68 L CA 2.017 56.724 54.840 -0.222 0.000 0.748 68 L CB -0.788 41.100 42.059 -0.285 0.000 0.891 68 L HN 0.234 nan 8.230 nan 0.000 0.431 69 K N -0.533 119.829 120.400 -0.064 0.000 2.148 69 K HA -0.159 4.161 4.320 -0.000 0.000 0.204 69 K C 1.940 178.527 176.600 -0.021 0.000 1.050 69 K CA 1.610 57.878 56.287 -0.033 0.000 0.942 69 K CB -0.155 32.336 32.500 -0.016 0.000 0.724 69 K HN 0.494 nan 8.250 nan 0.000 0.446 70 E N 0.616 120.807 120.200 -0.015 0.000 2.110 70 E HA -0.156 4.193 4.350 -0.000 0.000 0.193 70 E C 1.980 178.581 176.600 0.003 0.000 0.988 70 E CA 1.237 57.639 56.400 0.004 0.000 0.804 70 E CB -0.043 29.670 29.700 0.022 0.000 0.745 70 E HN 0.277 nan 8.360 nan 0.000 0.458 71 M N 0.478 120.075 119.600 -0.005 0.000 2.132 71 M HA -0.145 4.335 4.480 -0.000 0.000 0.263 71 M C 2.068 178.344 176.300 -0.039 0.000 1.065 71 M CA 1.415 56.704 55.300 -0.017 0.000 1.122 71 M CB -0.087 32.500 32.600 -0.022 0.000 1.365 71 M HN -0.067 nan 8.290 nan 0.000 0.411 72 K N 0.411 120.786 120.400 -0.041 0.000 2.097 72 K HA -0.056 4.264 4.320 -0.000 0.000 0.205 72 K C 2.115 178.702 176.600 -0.023 0.000 1.050 72 K CA 1.355 57.620 56.287 -0.036 0.000 0.938 72 K CB -0.293 32.185 32.500 -0.036 0.000 0.718 72 K HN 0.286 nan 8.250 nan 0.000 0.442 73 A N 1.948 124.758 122.820 -0.017 0.000 1.933 73 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 73 A C 1.872 179.448 177.584 -0.013 0.000 1.175 73 A CA 1.529 53.559 52.037 -0.011 0.000 0.628 73 A CB -0.232 18.765 19.000 -0.005 0.000 0.814 73 A HN 0.196 nan 8.150 nan 0.000 0.444 74 K N -0.536 119.853 120.400 -0.019 0.000 2.116 74 K HA 0.095 4.415 4.320 -0.000 0.000 0.203 74 K C 2.257 178.836 176.600 -0.035 0.000 1.052 74 K CA 0.847 57.118 56.287 -0.027 0.000 0.952 74 K CB -0.253 32.226 32.500 -0.035 0.000 0.729 74 K HN 0.407 nan 8.250 nan 0.000 0.446 75 A N 1.068 123.866 122.820 -0.037 0.000 2.019 75 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 75 A C 2.063 179.639 177.584 -0.014 0.000 1.164 75 A CA 1.568 53.587 52.037 -0.029 0.000 0.644 75 A CB -0.473 18.513 19.000 -0.023 0.000 0.805 75 A HN 0.140 nan 8.150 nan 0.000 0.449 76 S N -0.428 115.265 115.700 -0.012 0.000 2.500 76 S HA -0.107 4.363 4.470 -0.000 0.000 0.239 76 S C 1.946 176.543 174.600 -0.006 0.000 0.989 76 S CA 1.628 59.825 58.200 -0.006 0.000 0.951 76 S CB -0.468 62.729 63.200 -0.005 0.000 0.759 76 S HN 0.917 nan 8.310 nan 0.000 0.523 77 T N -1.279 113.268 114.554 -0.012 0.000 3.100 77 T HA 0.198 4.548 4.350 -0.000 0.000 0.253 77 T C 0.512 175.204 174.700 -0.013 0.000 1.118 77 T CA -0.097 61.996 62.100 -0.012 0.000 1.058 77 T CB -0.188 68.671 68.868 -0.015 0.000 0.953 77 T HN 0.010 nan 8.240 nan 0.000 0.515 78 V N 2.069 121.974 119.914 -0.015 0.000 2.530 78 V HA 0.374 4.494 4.120 -0.000 0.000 0.282 78 V C 0.114 176.203 176.094 -0.009 0.000 1.048 78 V CA -0.718 61.571 62.300 -0.018 0.000 0.997 78 V CB 1.109 32.917 31.823 -0.025 0.000 0.987 78 V HN 0.409 nan 8.190 nan 0.000 0.477 79 K N 4.036 124.430 120.400 -0.010 0.000 2.425 79 K HA 0.722 5.042 4.320 -0.000 0.000 0.259 79 K C -0.526 176.070 176.600 -0.007 0.000 0.978 79 K CA -0.371 55.913 56.287 -0.004 0.000 0.883 79 K CB 1.260 33.759 32.500 -0.002 0.000 1.110 79 K HN 0.821 nan 8.250 nan 0.000 0.436 80 A N 4.330 127.148 122.820 -0.003 0.000 2.324 80 A HA 0.476 4.796 4.320 -0.000 0.000 0.330 80 A C -0.887 176.701 177.584 0.007 0.000 1.165 80 A CA -0.816 51.217 52.037 -0.007 0.000 0.813 80 A CB 0.753 19.742 19.000 -0.018 0.000 1.197 80 A HN 0.762 nan 8.150 nan 0.000 0.484 81 K N 0.800 121.205 120.400 0.009 0.000 2.143 81 K HA 0.419 4.739 4.320 -0.000 0.000 0.272 81 K C -0.855 175.761 176.600 0.026 0.000 1.001 81 K CA -0.631 55.667 56.287 0.017 0.000 0.915 81 K CB 1.373 33.884 32.500 0.018 0.000 1.047 81 K HN 0.503 nan 8.250 nan 0.000 0.458 82 L N 3.564 124.800 121.223 0.022 0.000 2.331 82 L HA 0.208 4.548 4.340 -0.000 0.000 0.278 82 L C -0.962 175.884 176.870 -0.039 0.000 1.106 82 L CA -0.298 54.549 54.840 0.011 0.000 0.824 82 L CB 0.411 42.483 42.059 0.021 0.000 1.142 82 L HN 0.404 nan 8.230 nan 0.000 0.443 83 L N 3.822 125.005 121.223 -0.066 0.000 2.375 83 L HA 0.458 4.798 4.340 -0.000 0.000 0.271 83 L C 0.527 177.285 176.870 -0.187 0.000 1.107 83 L CA 0.354 55.139 54.840 -0.092 0.000 0.806 83 L CB 1.441 43.456 42.059 -0.074 0.000 1.146 83 L HN 0.877 nan 8.230 nan 0.000 0.447 84 S N 2.424 118.026 115.700 -0.163 0.000 2.645 84 S HA 0.331 4.801 4.470 -0.000 0.000 0.266 84 S C 1.453 175.920 174.600 -0.222 0.000 1.258 84 S CA -0.597 57.483 58.200 -0.199 0.000 0.990 84 S CB 0.442 63.560 63.200 -0.137 0.000 0.967 84 S HN 0.488 nan 8.310 nan 0.000 0.556 85 I N 0.667 121.094 120.570 -0.239 0.000 2.208 85 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 85 I C 2.835 178.862 176.117 -0.151 0.000 1.097 85 I CA 1.607 62.782 61.300 -0.209 0.000 1.363 85 I CB -0.530 37.355 38.000 -0.191 0.000 1.051 85 I HN 0.785 nan 8.210 nan 0.000 0.413 86 E N 0.841 120.963 120.200 -0.129 0.000 2.058 86 E HA -0.248 4.102 4.350 -0.000 0.000 0.194 86 E C 2.099 178.636 176.600 -0.106 0.000 0.997 86 E CA 1.487 57.824 56.400 -0.104 0.000 0.801 86 E CB -0.035 29.613 29.700 -0.086 0.000 0.746 86 E HN 0.549 nan 8.360 nan 0.000 0.450 87 E N 0.356 120.488 120.200 -0.113 0.000 2.077 87 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 87 E C 2.014 178.516 176.600 -0.163 0.000 0.989 87 E CA 0.981 57.308 56.400 -0.121 0.000 0.800 87 E CB -0.129 29.506 29.700 -0.108 0.000 0.746 87 E HN 0.207 nan 8.360 nan 0.000 0.452 88 A N 0.797 123.518 122.820 -0.165 0.000 1.930 88 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 88 A C 2.391 179.890 177.584 -0.142 0.000 1.175 88 A CA 0.975 52.909 52.037 -0.172 0.000 0.627 88 A CB -0.741 18.174 19.000 -0.142 0.000 0.815 88 A HN 0.349 nan 8.150 nan 0.000 0.443 89 C N -0.289 118.941 119.300 -0.117 0.000 2.429 89 C HA -0.074 4.386 4.460 -0.000 0.000 0.277 89 C C 2.584 177.514 174.990 -0.100 0.000 1.262 89 C CA 1.304 60.266 59.018 -0.094 0.000 1.733 89 C CB -1.024 26.664 27.740 -0.087 0.000 2.010 89 C HN 0.611 nan 8.230 nan 0.000 0.483 90 K N 0.638 120.978 120.400 -0.100 0.000 2.362 90 K HA -0.022 4.298 4.320 -0.000 0.000 0.200 90 K C 1.324 177.886 176.600 -0.064 0.000 1.046 90 K CA 0.878 57.122 56.287 -0.072 0.000 0.952 90 K CB -0.176 32.291 32.500 -0.056 0.000 0.753 90 K HN 0.518 nan 8.250 nan 0.000 0.466 91 L N 0.803 121.938 121.223 -0.146 0.000 2.592 91 L HA 0.026 4.366 4.340 -0.000 0.000 0.227 91 L C 0.262 177.048 176.870 -0.140 0.000 1.127 91 L CA 0.102 54.816 54.840 -0.210 0.000 0.884 91 L CB 0.158 41.965 42.059 -0.420 0.000 1.065 91 L HN -0.040 nan 8.230 nan 0.000 0.457 92 T N 1.917 116.402 114.554 -0.116 0.000 2.761 92 T HA 0.211 4.561 4.350 -0.000 0.000 0.296 92 T C -2.333 172.248 174.700 -0.198 0.000 0.934 92 T CA -1.129 60.901 62.100 -0.117 0.000 1.091 92 T CB 0.977 69.789 68.868 -0.092 0.000 0.896 92 T HN -0.152 nan 8.240 nan 0.000 0.515 93 P HA 0.132 nan 4.420 nan 0.000 0.267 93 P C -1.889 175.192 177.300 -0.365 0.000 1.205 93 P CA -1.341 61.593 63.100 -0.277 0.000 0.765 93 P CB 0.264 31.907 31.700 -0.094 0.000 0.828 94 P HA -0.159 nan 4.420 nan 0.000 0.217 94 P C 0.244 177.201 177.300 -0.572 0.000 1.148 94 P CA 1.703 64.441 63.100 -0.603 0.000 0.828 94 P CB -0.166 31.065 31.700 -0.782 0.000 0.783 95 H N -2.354 116.637 119.070 -0.132 0.000 2.469 95 H HA 0.302 4.858 4.556 0.000 0.000 0.286 95 H C 0.435 175.714 175.328 -0.081 0.000 1.106 95 H CA -0.379 55.620 56.048 -0.082 0.000 1.055 95 H CB 0.059 29.784 29.762 -0.061 0.000 1.618 95 H HN -0.022 nan 8.280 nan 0.000 0.559 96 S N 1.187 116.862 115.700 -0.042 0.000 2.576 96 S HA 0.439 4.909 4.470 -0.000 0.000 0.276 96 S C 0.733 175.303 174.600 -0.049 0.000 1.339 96 S CA -0.609 57.555 58.200 -0.059 0.000 1.039 96 S CB 0.338 63.494 63.200 -0.073 0.000 0.902 96 S HN 0.500 nan 8.310 nan 0.000 0.516 97 A N 4.434 127.205 122.820 -0.082 0.000 2.567 97 A HA 0.229 4.549 4.320 -0.000 0.000 0.240 97 A C 0.617 178.185 177.584 -0.027 0.000 1.053 97 A CA -0.091 51.914 52.037 -0.054 0.000 0.755 97 A CB -0.312 18.638 19.000 -0.083 0.000 0.978 97 A HN 0.887 nan 8.150 nan 0.000 0.507 98 K N 2.248 122.628 120.400 -0.035 0.000 2.336 98 K HA 0.288 4.608 4.320 -0.000 0.000 0.262 98 K C 0.367 176.876 176.600 -0.152 0.000 0.992 98 K CA 0.161 56.395 56.287 -0.087 0.000 0.927 98 K CB 0.362 32.812 32.500 -0.083 0.000 0.956 98 K HN 0.470 nan 8.250 nan 0.000 0.495 99 S N -0.069 115.420 115.700 -0.353 0.000 2.592 99 S HA 0.039 4.509 4.470 -0.000 0.000 0.271 99 S C 0.807 175.158 174.600 -0.414 0.000 1.326 99 S CA -0.664 57.276 58.200 -0.434 0.000 1.024 99 S CB 0.682 63.291 63.200 -0.983 0.000 0.921 99 S HN 0.795 nan 8.310 nan 0.000 0.527 100 K N 2.072 122.191 120.400 -0.468 0.000 2.525 100 K HA 0.045 4.365 4.320 -0.000 0.000 0.192 100 K C -0.327 175.793 176.600 -0.800 0.000 1.029 100 K CA 0.756 56.680 56.287 -0.604 0.000 1.029 100 K CB -0.277 31.809 32.500 -0.691 0.000 0.814 100 K HN 0.559 nan 8.250 nan 0.000 0.503 101 F N 1.531 121.284 119.950 -0.328 0.000 2.916 101 F HA 0.345 4.873 4.527 0.000 0.000 0.294 101 F C 1.121 176.816 175.800 -0.176 0.000 1.189 101 F CA -0.301 57.508 58.000 -0.318 0.000 1.369 101 F CB 0.559 39.197 39.000 -0.603 0.000 0.961 101 F HN 0.278 nan 8.300 nan 0.000 0.508 102 G N 0.442 109.195 108.800 -0.078 0.000 2.147 102 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.244 102 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.244 102 G C -0.280 174.702 174.900 0.137 0.000 1.005 102 G CA 0.428 45.549 45.100 0.034 0.000 0.713 102 G HN 0.605 nan 8.290 nan 0.000 0.515 103 Y N -2.986 117.310 120.300 -0.005 0.000 2.670 103 Y HA 0.770 5.320 4.550 0.000 0.000 0.334 103 Y C 0.315 176.219 175.900 0.007 0.000 1.185 103 Y CA -1.118 56.986 58.100 0.006 0.000 1.053 103 Y CB 0.606 39.078 38.460 0.020 0.000 1.298 103 Y HN 0.691 nan 8.280 nan 0.000 0.459 104 G N -0.377 108.521 108.800 0.164 0.000 2.816 104 G HA2 0.543 4.503 3.960 -0.000 0.000 0.288 104 G HA3 0.543 4.503 3.960 -0.000 0.000 0.288 104 G C 0.152 175.122 174.900 0.117 0.000 1.334 104 G CA -0.781 44.355 45.100 0.060 0.000 0.978 104 G HN 1.206 nan 8.290 nan 0.000 0.493 105 A N -0.248 122.592 122.820 0.032 0.000 1.940 105 A HA -0.039 4.281 4.320 -0.000 0.000 0.219 105 A C 2.158 179.717 177.584 -0.042 0.000 1.176 105 A CA 1.900 53.933 52.037 -0.006 0.000 0.631 105 A CB -0.379 18.574 19.000 -0.078 0.000 0.814 105 A HN 0.578 nan 8.150 nan 0.000 0.446 106 K N -0.374 119.995 120.400 -0.051 0.000 2.148 106 K HA -0.122 4.198 4.320 -0.000 0.000 0.204 106 K C 1.233 177.817 176.600 -0.027 0.000 1.050 106 K CA 1.295 57.542 56.287 -0.067 0.000 0.942 106 K CB -0.254 32.206 32.500 -0.066 0.000 0.724 106 K HN 0.461 nan 8.250 nan 0.000 0.446 107 D N 0.804 121.220 120.400 0.027 0.000 2.144 107 D HA -0.106 4.534 4.640 -0.000 0.000 0.200 107 D C 2.049 178.347 176.300 -0.003 0.000 0.978 107 D CA 0.769 54.788 54.000 0.032 0.000 0.833 107 D CB -0.162 40.700 40.800 0.104 0.000 0.961 107 D HN -0.073 nan 8.370 nan 0.000 0.470 108 V N 1.366 121.300 119.914 0.033 0.000 2.261 108 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 108 V C 2.522 178.585 176.094 -0.051 0.000 1.047 108 V CA 1.566 63.862 62.300 -0.007 0.000 1.015 108 V CB -0.334 31.523 31.823 0.057 0.000 0.642 108 V HN 0.125 nan 8.190 nan 0.000 0.446 109 R N 0.311 120.771 120.500 -0.066 0.000 2.105 109 R HA -0.125 4.215 4.340 -0.000 0.000 0.239 109 R C 1.759 178.015 176.300 -0.074 0.000 1.135 109 R CA 1.466 57.511 56.100 -0.092 0.000 0.967 109 R CB -0.379 29.837 30.300 -0.140 0.000 0.861 109 R HN 0.486 nan 8.270 nan 0.000 0.442 110 N N 0.768 119.432 118.700 -0.061 0.000 2.461 110 N HA 0.066 4.806 4.740 -0.000 0.000 0.188 110 N C 0.152 175.631 175.510 -0.052 0.000 1.134 110 N CA 0.279 53.298 53.050 -0.051 0.000 0.878 110 N CB 0.195 38.658 38.487 -0.040 0.000 0.972 110 N HN 0.153 nan 8.380 nan 0.000 0.456 111 L N 0.523 121.708 121.223 -0.063 0.000 3.717 111 L HA -0.231 4.109 4.340 -0.000 0.000 0.414 111 L C 0.279 177.107 176.870 -0.070 0.000 1.228 111 L CA 0.006 54.804 54.840 -0.071 0.000 0.918 111 L CB -2.559 39.462 42.059 -0.064 0.000 1.865 111 L HN 0.170 nan 8.230 nan 0.000 0.922 112 S N -0.508 115.149 115.700 -0.072 0.000 2.568 112 S HA 0.238 4.708 4.470 -0.000 0.000 0.282 112 S C 1.535 176.080 174.600 -0.090 0.000 1.338 112 S CA 0.071 58.231 58.200 -0.066 0.000 1.045 112 S CB 1.770 64.941 63.200 -0.048 0.000 0.873 112 S HN 0.514 nan 8.310 nan 0.000 0.516 113 S N 3.725 119.386 115.700 -0.065 0.000 2.359 113 S HA -0.262 4.208 4.470 -0.000 0.000 0.224 113 S C 1.926 176.478 174.600 -0.080 0.000 1.035 113 S CA 1.232 59.395 58.200 -0.062 0.000 1.018 113 S CB -0.783 62.395 63.200 -0.035 0.000 0.876 113 S HN 0.898 nan 8.310 nan 0.000 0.448 114 R N 2.186 122.643 120.500 -0.072 0.000 2.083 114 R HA 0.007 4.347 4.340 -0.000 0.000 0.237 114 R C 2.446 178.596 176.300 -0.250 0.000 1.137 114 R CA 1.750 57.807 56.100 -0.073 0.000 0.951 114 R CB -1.241 29.060 30.300 0.002 0.000 0.851 114 R HN 0.496 nan 8.270 nan 0.000 0.434 115 A N -0.142 122.408 122.820 -0.451 0.000 1.865 115 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 115 A C 2.371 179.681 177.584 -0.457 0.000 1.191 115 A CA 1.942 53.440 52.037 -0.899 0.000 0.623 115 A CB -0.913 17.730 19.000 -0.595 0.000 0.826 115 A HN 0.220 nan 8.150 nan 0.000 0.444 116 V N 0.947 120.715 119.914 -0.245 0.000 2.295 116 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 116 V C 2.342 178.369 176.094 -0.110 0.000 1.049 116 V CA 2.183 64.393 62.300 -0.150 0.000 1.024 116 V CB -1.105 30.649 31.823 -0.113 0.000 0.648 116 V HN 0.556 nan 8.190 nan 0.000 0.447 117 N N -0.392 118.255 118.700 -0.089 0.000 2.069 117 N HA -0.209 4.531 4.740 -0.000 0.000 0.191 117 N C 1.881 177.378 175.510 -0.022 0.000 1.031 117 N CA 1.816 54.840 53.050 -0.043 0.000 0.852 117 N CB -0.688 37.788 38.487 -0.019 0.000 1.018 117 N HN 0.636 nan 8.380 nan 0.000 0.423 118 H N 0.515 119.520 119.070 -0.109 0.000 2.353 118 H HA 0.024 4.580 4.556 0.000 0.000 0.300 118 H C 2.091 177.411 175.328 -0.014 0.000 1.090 118 H CA 1.145 57.164 56.048 -0.049 0.000 1.327 118 H CB -0.053 29.742 29.762 0.054 0.000 1.383 118 H HN 0.136 nan 8.280 nan 0.000 0.508 119 I N 0.601 121.105 120.570 -0.111 0.000 2.226 119 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 119 I C 3.033 179.114 176.117 -0.060 0.000 1.100 119 I CA 1.204 62.456 61.300 -0.080 0.000 1.374 119 I CB -0.302 37.678 38.000 -0.034 0.000 1.057 119 I HN 0.196 nan 8.210 nan 0.000 0.413 120 R N 0.836 121.302 120.500 -0.057 0.000 2.091 120 R HA -0.223 4.117 4.340 -0.000 0.000 0.238 120 R C 2.522 178.838 176.300 0.028 0.000 1.136 120 R CA 2.105 58.206 56.100 0.002 0.000 0.959 120 R CB -0.309 29.977 30.300 -0.023 0.000 0.856 120 R HN 0.466 nan 8.270 nan 0.000 0.437 121 S N -0.341 115.319 115.700 -0.066 0.000 2.382 121 S HA -0.086 4.384 4.470 -0.000 0.000 0.228 121 S C 2.026 176.552 174.600 -0.123 0.000 1.027 121 S CA 1.402 59.548 58.200 -0.091 0.000 0.991 121 S CB -0.365 62.766 63.200 -0.114 0.000 0.823 121 S HN 0.194 nan 8.310 nan 0.000 0.469 122 V N 0.913 120.706 119.914 -0.202 0.000 2.358 122 V HA -0.112 4.008 4.120 -0.000 0.000 0.246 122 V C 2.230 178.315 176.094 -0.015 0.000 1.047 122 V CA 1.768 63.974 62.300 -0.157 0.000 1.035 122 V CB -1.081 30.625 31.823 -0.196 0.000 0.658 122 V HN 0.729 nan 8.190 nan 0.000 0.452 123 W N 1.250 122.478 121.300 -0.121 0.000 2.354 123 W HA -0.155 4.505 4.660 -0.001 0.000 0.315 123 W C 2.338 178.815 176.519 -0.071 0.000 1.206 123 W CA 1.816 59.113 57.345 -0.080 0.000 1.290 123 W CB -0.111 29.308 29.460 -0.068 0.000 1.152 123 W HN 0.281 nan 8.180 nan 0.000 0.489 124 E N 0.539 120.740 120.200 0.001 0.000 2.160 124 E HA -0.262 4.088 4.350 -0.000 0.000 0.195 124 E C 1.490 177.997 176.600 -0.154 0.000 0.991 124 E CA 2.031 58.378 56.400 -0.089 0.000 0.810 124 E CB -0.809 28.896 29.700 0.007 0.000 0.742 124 E HN 0.486 nan 8.360 nan 0.000 0.466 125 D N 0.360 120.681 120.400 -0.133 0.000 2.144 125 D HA -0.098 4.542 4.640 -0.000 0.000 0.200 125 D C 2.089 178.283 176.300 -0.177 0.000 0.978 125 D CA 0.625 54.547 54.000 -0.130 0.000 0.833 125 D CB 0.002 40.737 40.800 -0.110 0.000 0.961 125 D HN 0.065 nan 8.370 nan 0.000 0.470 126 L N 0.022 121.095 121.223 -0.250 0.000 2.141 126 L HA -0.107 4.233 4.340 -0.000 0.000 0.209 126 L C 2.348 179.016 176.870 -0.336 0.000 1.094 126 L CA 0.569 55.228 54.840 -0.302 0.000 0.763 126 L CB -0.297 41.516 42.059 -0.410 0.000 0.908 126 L HN 0.240 nan 8.230 nan 0.000 0.437 127 L N -0.849 120.129 121.223 -0.409 0.000 2.156 127 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 127 L C 2.238 178.996 176.870 -0.188 0.000 1.095 127 L CA 1.152 55.798 54.840 -0.323 0.000 0.770 127 L CB -0.356 41.504 42.059 -0.332 0.000 0.914 127 L HN 0.291 nan 8.230 nan 0.000 0.439 128 E N -0.887 119.218 120.200 -0.158 0.000 2.102 128 E HA -0.066 4.284 4.350 -0.000 0.000 0.190 128 E C 0.389 176.935 176.600 -0.090 0.000 0.971 128 E CA 0.261 56.599 56.400 -0.105 0.000 0.821 128 E CB 0.370 30.019 29.700 -0.085 0.000 0.777 128 E HN 0.158 nan 8.360 nan 0.000 0.460 129 D N 0.200 120.540 120.400 -0.100 0.000 2.381 129 D HA 0.036 4.676 4.640 -0.000 0.000 0.235 129 D C 0.270 176.517 176.300 -0.088 0.000 1.068 129 D CA -0.136 53.816 54.000 -0.079 0.000 0.832 129 D CB 1.457 42.215 40.800 -0.071 0.000 1.101 129 D HN 0.003 nan 8.370 nan 0.000 0.515 130 T N 0.136 114.647 114.554 -0.072 0.000 3.086 130 T HA 0.113 4.463 4.350 -0.000 0.000 0.250 130 T C 0.972 175.639 174.700 -0.056 0.000 1.074 130 T CA 0.065 62.123 62.100 -0.071 0.000 0.988 130 T CB 0.391 69.223 68.868 -0.059 0.000 0.988 130 T HN 0.505 nan 8.240 nan 0.000 0.530 131 E N 0.984 121.155 120.200 -0.047 0.000 2.475 131 E HA 0.090 4.440 4.350 -0.000 0.000 0.205 131 E C -0.301 176.285 176.600 -0.023 0.000 0.822 131 E CA 0.048 56.429 56.400 -0.032 0.000 1.240 131 E CB 0.443 30.129 29.700 -0.024 0.000 1.222 131 E HN 0.312 nan 8.360 nan 0.000 0.581 132 T N 5.060 119.599 114.554 -0.024 0.000 2.778 132 T HA 0.073 4.423 4.350 -0.000 0.000 0.282 132 T C -2.515 172.180 174.700 -0.008 0.000 0.983 132 T CA -0.614 61.480 62.100 -0.011 0.000 1.193 132 T CB 0.660 69.520 68.868 -0.013 0.000 0.938 132 T HN 0.130 nan 8.240 nan 0.000 0.523 133 P HA 0.160 nan 4.420 nan 0.000 0.266 133 P C -0.113 177.188 177.300 0.002 0.000 1.195 133 P CA -0.104 63.006 63.100 0.017 0.000 0.768 133 P CB 0.382 32.127 31.700 0.075 0.000 0.838 134 I N 2.334 122.891 120.570 -0.021 0.000 2.396 134 I HA 0.151 4.321 4.170 -0.000 0.000 0.292 134 I C 0.927 177.039 176.117 -0.009 0.000 0.999 134 I CA -0.454 60.840 61.300 -0.010 0.000 1.310 134 I CB 0.780 38.764 38.000 -0.026 0.000 1.404 134 I HN 0.308 nan 8.210 nan 0.000 0.496 135 D N 4.170 124.580 120.400 0.017 0.000 2.400 135 D HA 0.199 4.839 4.640 -0.000 0.000 0.238 135 D C -0.343 175.941 176.300 -0.026 0.000 1.157 135 D CA 0.348 54.348 54.000 0.001 0.000 0.889 135 D CB 0.816 41.634 40.800 0.030 0.000 1.199 135 D HN 0.623 nan 8.370 nan 0.000 0.436 136 T N -1.070 113.440 114.554 -0.074 0.000 2.903 136 T HA 0.601 4.951 4.350 -0.000 0.000 0.299 136 T C -0.458 174.108 174.700 -0.224 0.000 1.093 136 T CA -0.962 61.054 62.100 -0.140 0.000 1.002 136 T CB 1.502 70.303 68.868 -0.113 0.000 1.127 136 T HN 0.196 nan 8.240 nan 0.000 0.488 137 T N 2.309 116.585 114.554 -0.465 0.000 2.829 137 T HA 0.604 4.954 4.350 -0.000 0.000 0.282 137 T C -0.360 174.049 174.700 -0.484 0.000 0.990 137 T CA -0.613 61.183 62.100 -0.506 0.000 1.028 137 T CB 0.842 69.276 68.868 -0.722 0.000 0.951 137 T HN 0.747 nan 8.240 nan 0.000 0.460 138 I N 3.847 124.303 120.570 -0.190 0.000 2.377 138 I HA 0.565 4.735 4.170 -0.000 0.000 0.293 138 I C -1.039 175.089 176.117 0.018 0.000 0.987 138 I CA -0.769 60.508 61.300 -0.039 0.000 1.185 138 I CB 0.726 38.771 38.000 0.075 0.000 1.341 138 I HN 0.408 nan 8.210 nan 0.000 0.455 139 M N 6.124 125.785 119.600 0.102 0.000 2.593 139 M HA 0.511 4.991 4.480 -0.000 0.000 0.290 139 M C -0.669 175.701 176.300 0.116 0.000 1.244 139 M CA -0.642 54.738 55.300 0.133 0.000 0.857 139 M CB 1.826 34.573 32.600 0.245 0.000 1.738 139 M HN 0.607 nan 8.290 nan 0.000 0.461 140 A N 1.914 124.784 122.820 0.084 0.000 2.320 140 A HA 0.468 4.788 4.320 -0.000 0.000 0.287 140 A C -0.077 177.557 177.584 0.083 0.000 1.181 140 A CA -0.449 51.629 52.037 0.068 0.000 0.831 140 A CB 0.351 19.376 19.000 0.043 0.000 1.102 140 A HN 0.750 nan 8.150 nan 0.000 0.513 141 K N 1.840 122.292 120.400 0.087 0.000 2.218 141 K HA 0.297 4.617 4.320 -0.000 0.000 0.276 141 K C -0.048 176.579 176.600 0.044 0.000 1.022 141 K CA -0.072 56.258 56.287 0.073 0.000 0.946 141 K CB 0.662 33.213 32.500 0.084 0.000 1.000 141 K HN 0.609 nan 8.250 nan 0.000 0.468 142 S N 3.691 119.393 115.700 0.004 0.000 2.404 142 S HA 0.181 4.651 4.470 -0.000 0.000 0.309 142 S C -1.044 173.470 174.600 -0.143 0.000 1.076 142 S CA -0.512 57.655 58.200 -0.055 0.000 1.095 142 S CB 0.276 63.443 63.200 -0.056 0.000 0.972 142 S HN 0.612 nan 8.310 nan 0.000 0.484 143 E N 2.790 122.884 120.200 -0.177 0.000 2.317 143 E HA 0.475 4.825 4.350 -0.000 0.000 0.270 143 E C -1.319 174.916 176.600 -0.608 0.000 0.885 143 E CA -0.984 55.208 56.400 -0.347 0.000 0.760 143 E CB 2.234 31.816 29.700 -0.196 0.000 1.227 143 E HN 0.410 nan 8.360 nan 0.000 0.434 144 V N 3.384 122.777 119.914 -0.869 0.000 2.427 144 V HA 0.502 4.622 4.120 -0.000 0.000 0.286 144 V C -0.799 174.613 176.094 -1.137 0.000 1.034 144 V CA -0.265 61.497 62.300 -0.897 0.000 0.893 144 V CB 0.266 31.663 31.823 -0.710 0.000 0.982 144 V HN 0.516 nan 8.190 nan 0.000 0.452 145 F N 2.284 121.850 119.950 -0.641 0.000 2.675 145 F HA 0.624 5.151 4.527 -0.000 0.000 0.324 145 F C 0.060 175.635 175.800 -0.374 0.000 1.106 145 F CA -0.742 56.963 58.000 -0.492 0.000 0.970 145 F CB 1.345 40.046 39.000 -0.499 0.000 1.385 145 F HN 0.513 nan 8.300 nan 0.000 0.489 146 C N 2.673 122.054 119.300 0.135 0.000 2.355 146 C HA 0.789 5.249 4.460 -0.000 0.000 0.332 146 C C 0.043 175.244 174.990 0.353 0.000 1.255 146 C CA -0.737 58.405 59.018 0.207 0.000 1.792 146 C CB -0.024 27.789 27.740 0.122 0.000 2.300 146 C HN 0.724 nan 8.230 nan 0.000 0.515 147 V N 6.168 126.307 119.914 0.375 0.000 2.901 147 V HA 0.271 4.391 4.120 -0.000 0.000 0.307 147 V C 0.281 176.454 176.094 0.132 0.000 1.084 147 V CA 0.137 62.584 62.300 0.245 0.000 1.184 147 V CB -0.224 31.663 31.823 0.108 0.000 0.941 147 V HN 1.119 nan 8.190 nan 0.000 0.493 155 K N 3.316 123.711 120.400 -0.008 0.000 2.322 155 K HA 0.275 4.595 4.320 -0.000 0.000 0.283 155 K C -1.978 174.631 176.600 0.015 0.000 1.042 155 K CA -1.425 54.817 56.287 -0.075 0.000 0.958 155 K CB 0.640 32.929 32.500 -0.351 0.000 0.984 155 K HN 0.241 nan 8.250 nan 0.000 0.473 156 P HA 0.059 nan 4.420 nan 0.000 0.276 156 P C -0.788 176.543 177.300 0.052 0.000 1.244 156 P CA -0.496 62.616 63.100 0.020 0.000 0.801 156 P CB 0.758 32.455 31.700 -0.005 0.000 1.006 157 A N 2.938 125.799 122.820 0.069 0.000 2.520 157 A HA 0.084 4.404 4.320 -0.000 0.000 0.235 157 A C 0.636 178.266 177.584 0.076 0.000 1.065 157 A CA 0.035 52.125 52.037 0.089 0.000 0.764 157 A CB -0.301 18.741 19.000 0.070 0.000 1.002 157 A HN 0.474 nan 8.150 nan 0.000 0.502 158 R N 0.239 120.802 120.500 0.104 0.000 2.531 158 R HA 0.458 4.798 4.340 -0.000 0.000 0.273 158 R C -0.890 175.467 176.300 0.095 0.000 1.070 158 R CA -0.258 55.905 56.100 0.104 0.000 1.112 158 R CB 0.533 30.911 30.300 0.130 0.000 1.049 158 R HN 0.665 nan 8.270 nan 0.000 0.508 159 L N 4.928 126.209 121.223 0.096 0.000 2.296 159 L HA 0.495 4.835 4.340 -0.000 0.000 0.286 159 L C 0.128 177.089 176.870 0.151 0.000 1.023 159 L CA -0.696 54.204 54.840 0.100 0.000 0.812 159 L CB 1.186 43.279 42.059 0.056 0.000 1.223 159 L HN 0.527 nan 8.230 nan 0.000 0.421 160 I N 0.928 121.609 120.570 0.185 0.000 2.460 160 I HA 0.723 4.893 4.170 -0.000 0.000 0.298 160 I C -0.697 175.591 176.117 0.285 0.000 0.989 160 I CA -0.869 60.583 61.300 0.253 0.000 1.173 160 I CB 1.972 40.139 38.000 0.279 0.000 1.338 160 I HN 0.204 nan 8.210 nan 0.000 0.456 161 V N 6.646 126.732 119.914 0.288 0.000 2.483 161 V HA 0.601 4.721 4.120 -0.000 0.000 0.297 161 V C -0.660 175.594 176.094 0.267 0.000 1.027 161 V CA -0.376 62.027 62.300 0.172 0.000 0.855 161 V CB 1.217 33.124 31.823 0.141 0.000 0.995 161 V HN 0.747 nan 8.190 nan 0.000 0.424 162 F N 4.758 124.759 119.950 0.085 0.000 2.631 162 F HA 0.964 5.491 4.527 -0.000 0.000 0.308 162 F C -3.091 172.754 175.800 0.074 0.000 1.097 162 F CA -2.497 55.553 58.000 0.084 0.000 0.952 162 F CB 1.738 40.783 39.000 0.076 0.000 1.307 162 F HN 0.296 nan 8.300 nan 0.000 0.450 163 P HA 0.235 nan 4.420 nan 0.000 0.301 163 P C -1.180 176.262 177.300 0.237 0.000 1.309 163 P CA -0.228 62.959 63.100 0.145 0.000 0.782 163 P CB 1.213 32.995 31.700 0.137 0.000 1.282 164 D N -1.082 119.434 120.400 0.193 0.000 2.378 164 D HA -0.039 4.601 4.640 -0.000 0.000 0.238 164 D C 1.394 177.832 176.300 0.230 0.000 1.180 164 D CA -0.311 53.821 54.000 0.220 0.000 0.895 164 D CB 0.286 41.253 40.800 0.280 0.000 1.192 164 D HN 0.074 nan 8.370 nan 0.000 0.438 165 L N 3.429 124.763 121.223 0.184 0.000 2.021 165 L HA -0.080 4.260 4.340 -0.000 0.000 0.215 165 L C 2.093 179.118 176.870 0.259 0.000 1.074 165 L CA 2.705 57.648 54.840 0.172 0.000 0.760 165 L CB -1.259 40.852 42.059 0.087 0.000 0.889 165 L HN 0.698 nan 8.230 nan 0.000 0.433 166 G N -1.236 107.794 108.800 0.383 0.000 2.476 166 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 166 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 166 G C 1.552 176.583 174.900 0.218 0.000 1.164 166 G CA 1.342 46.686 45.100 0.407 0.000 0.768 166 G HN 0.387 nan 8.290 nan 0.000 0.560 167 V N 0.764 120.798 119.914 0.200 0.000 2.358 167 V HA -0.163 3.957 4.120 -0.000 0.000 0.246 167 V C 2.925 179.112 176.094 0.155 0.000 1.047 167 V CA 1.990 64.378 62.300 0.147 0.000 1.035 167 V CB -0.490 31.411 31.823 0.130 0.000 0.658 167 V HN 0.341 nan 8.190 nan 0.000 0.452 168 R N -0.222 120.376 120.500 0.165 0.000 2.091 168 R HA -0.133 4.207 4.340 -0.000 0.000 0.238 168 R C 2.224 178.594 176.300 0.116 0.000 1.136 168 R CA 1.514 57.700 56.100 0.144 0.000 0.959 168 R CB -0.664 29.713 30.300 0.130 0.000 0.856 168 R HN 0.425 nan 8.270 nan 0.000 0.437 169 V N 0.413 120.395 119.914 0.113 0.000 2.427 169 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 169 V C 2.476 178.617 176.094 0.078 0.000 1.051 169 V CA 1.503 63.844 62.300 0.068 0.000 1.048 169 V CB -0.420 31.442 31.823 0.066 0.000 0.666 169 V HN 0.453 nan 8.190 nan 0.000 0.456 170 C N -0.076 119.312 119.300 0.146 0.000 2.440 170 C HA -0.120 4.340 4.460 -0.000 0.000 0.278 170 C C 2.647 177.804 174.990 0.279 0.000 1.295 170 C CA 0.754 59.932 59.018 0.268 0.000 1.738 170 C CB -0.970 26.975 27.740 0.341 0.000 1.987 170 C HN 0.623 nan 8.230 nan 0.000 0.492 171 E N 0.929 121.250 120.200 0.202 0.000 2.085 171 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 171 E C 2.118 178.823 176.600 0.176 0.000 0.994 171 E CA 1.214 57.738 56.400 0.206 0.000 0.801 171 E CB -0.158 29.671 29.700 0.215 0.000 0.743 171 E HN 0.622 nan 8.360 nan 0.000 0.453 172 K N 0.344 120.820 120.400 0.126 0.000 2.057 172 K HA -0.111 4.209 4.320 -0.000 0.000 0.207 172 K C 2.191 178.845 176.600 0.091 0.000 1.049 172 K CA 1.323 57.673 56.287 0.104 0.000 0.931 172 K CB -0.086 32.408 32.500 -0.009 0.000 0.714 172 K HN 0.103 nan 8.250 nan 0.000 0.440 173 M N 0.075 119.694 119.600 0.032 0.000 2.080 173 M HA -0.217 4.263 4.480 -0.000 0.000 0.260 173 M C 2.392 178.723 176.300 0.052 0.000 1.068 173 M CA 1.903 57.155 55.300 -0.080 0.000 1.109 173 M CB -0.330 32.042 32.600 -0.379 0.000 1.342 173 M HN 0.250 nan 8.290 nan 0.000 0.405 174 A N -0.682 122.283 122.820 0.241 0.000 1.930 174 A HA 0.043 4.363 4.320 -0.000 0.000 0.215 174 A C 1.814 179.478 177.584 0.133 0.000 1.176 174 A CA 1.154 53.365 52.037 0.292 0.000 0.632 174 A CB -0.173 19.027 19.000 0.334 0.000 0.819 174 A HN 0.491 nan 8.150 nan 0.000 0.445 175 L N -2.833 118.451 121.223 0.101 0.000 3.086 175 L HA 0.205 4.545 4.340 -0.000 0.000 0.274 175 L C 1.733 178.588 176.870 -0.025 0.000 1.184 175 L CA -0.024 54.809 54.840 -0.011 0.000 1.002 175 L CB 0.164 42.194 42.059 -0.048 0.000 1.383 175 L HN 0.460 nan 8.230 nan 0.000 0.582 176 Y N 1.380 121.650 120.300 -0.051 0.000 2.128 176 Y HA -0.337 4.213 4.550 -0.000 0.000 0.284 176 Y C 2.157 178.019 175.900 -0.064 0.000 1.154 176 Y CA 2.322 60.386 58.100 -0.060 0.000 1.149 176 Y CB 0.082 38.516 38.460 -0.045 0.000 0.976 176 Y HN 0.253 nan 8.280 nan 0.000 0.505 177 D N -0.862 119.494 120.400 -0.073 0.000 2.178 177 D HA -0.150 4.490 4.640 -0.000 0.000 0.202 177 D C 2.152 178.341 176.300 -0.185 0.000 0.974 177 D CA 1.298 55.219 54.000 -0.132 0.000 0.841 177 D CB -0.128 40.667 40.800 -0.008 0.000 0.953 177 D HN 0.261 nan 8.370 nan 0.000 0.478 178 V N 0.418 120.230 119.914 -0.171 0.000 2.270 178 V HA -0.217 3.903 4.120 -0.000 0.000 0.245 178 V C 2.719 178.657 176.094 -0.259 0.000 1.043 178 V CA 1.748 63.926 62.300 -0.204 0.000 1.014 178 V CB -0.684 30.979 31.823 -0.267 0.000 0.645 178 V HN 0.339 nan 8.190 nan 0.000 0.447 179 V N -2.146 117.583 119.914 -0.308 0.000 2.594 179 V HA -0.144 3.976 4.120 -0.000 0.000 0.253 179 V C 2.039 177.962 176.094 -0.284 0.000 1.069 179 V CA 2.305 64.435 62.300 -0.283 0.000 1.082 179 V CB -0.601 31.071 31.823 -0.251 0.000 0.680 179 V HN 0.467 nan 8.190 nan 0.000 0.469 180 S N 0.587 116.063 115.700 -0.372 0.000 2.501 180 S HA 0.008 4.478 4.470 -0.000 0.000 0.220 180 S C 1.803 176.279 174.600 -0.208 0.000 0.997 180 S CA 1.251 59.249 58.200 -0.336 0.000 0.919 180 S CB 0.055 62.931 63.200 -0.539 0.000 0.778 180 S HN 0.967 nan 8.310 nan 0.000 0.523 181 T N -1.253 113.182 114.554 -0.198 0.000 2.989 181 T HA 0.282 4.632 4.350 -0.000 0.000 0.250 181 T C 1.601 176.201 174.700 -0.166 0.000 0.981 181 T CA -0.171 61.841 62.100 -0.148 0.000 0.980 181 T CB -0.549 68.254 68.868 -0.108 0.000 1.133 181 T HN 0.195 nan 8.240 nan 0.000 0.489 182 L N 2.176 123.297 121.223 -0.169 0.000 2.046 182 L HA 0.144 4.484 4.340 -0.000 0.000 0.208 182 L C -0.912 175.808 176.870 -0.251 0.000 1.077 182 L CA 1.442 56.191 54.840 -0.151 0.000 0.747 182 L CB -0.742 41.279 42.059 -0.063 0.000 0.896 182 L HN 0.139 nan 8.230 nan 0.000 0.432 183 P HA -0.221 nan 4.420 nan 0.000 0.216 183 P C 1.328 178.195 177.300 -0.722 0.000 1.150 183 P CA 1.415 64.105 63.100 -0.683 0.000 0.837 183 P CB -0.042 30.952 31.700 -1.177 0.000 0.786 184 Q N -0.701 118.735 119.800 -0.607 0.000 2.119 184 Q HA -0.129 4.211 4.340 -0.000 0.000 0.201 184 Q C 2.087 177.972 176.000 -0.192 0.000 0.972 184 Q CA 1.576 57.212 55.803 -0.279 0.000 0.847 184 Q CB -0.543 28.125 28.738 -0.118 0.000 0.903 184 Q HN 0.113 nan 8.270 nan 0.000 0.433 185 A N -0.421 122.292 122.820 -0.179 0.000 1.930 185 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 185 A C 2.098 179.603 177.584 -0.130 0.000 1.175 185 A CA 1.326 53.291 52.037 -0.120 0.000 0.627 185 A CB -0.365 18.578 19.000 -0.094 0.000 0.815 185 A HN 0.281 nan 8.150 nan 0.000 0.443 186 V N -0.897 118.904 119.914 -0.188 0.000 2.446 186 V HA -0.109 4.011 4.120 -0.000 0.000 0.244 186 V C 2.307 178.244 176.094 -0.261 0.000 1.039 186 V CA 1.991 64.173 62.300 -0.197 0.000 1.045 186 V CB -0.431 31.261 31.823 -0.219 0.000 0.681 186 V HN 0.568 nan 8.190 nan 0.000 0.459 187 M N -1.165 118.221 119.600 -0.356 0.000 2.337 187 M HA 0.371 4.851 4.480 -0.000 0.000 0.256 187 M C 1.483 177.683 176.300 -0.166 0.000 1.075 187 M CA 0.721 55.753 55.300 -0.448 0.000 1.024 187 M CB 0.566 32.746 32.600 -0.700 0.000 1.429 187 M HN 0.440 nan 8.290 nan 0.000 0.497 188 G N 1.788 110.517 108.800 -0.118 0.000 2.634 188 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.309 188 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.309 188 G C 0.918 175.782 174.900 -0.060 0.000 1.265 188 G CA 1.089 46.157 45.100 -0.053 0.000 0.998 188 G HN 0.533 nan 8.290 nan 0.000 0.551 189 S N -0.708 114.975 115.700 -0.029 0.000 2.442 189 S HA 0.026 4.496 4.470 -0.000 0.000 0.236 189 S C 2.190 176.599 174.600 -0.318 0.000 1.007 189 S CA 2.093 60.220 58.200 -0.121 0.000 0.965 189 S CB -0.197 63.031 63.200 0.047 0.000 0.773 189 S HN 1.067 nan 8.310 nan 0.000 0.504 190 S N 0.139 115.795 115.700 -0.073 0.000 2.527 190 S HA 0.144 4.614 4.470 -0.000 0.000 0.222 190 S C 0.196 174.785 174.600 -0.017 0.000 0.985 190 S CA -0.229 57.986 58.200 0.023 0.000 0.921 190 S CB -0.415 62.949 63.200 0.274 0.000 0.772 190 S HN 0.689 nan 8.310 nan 0.000 0.529 191 Y N 3.322 123.475 120.300 -0.244 0.000 2.624 191 Y HA 0.456 5.007 4.550 0.000 0.000 0.354 191 Y C 1.252 176.938 175.900 -0.357 0.000 1.051 191 Y CA -1.526 56.412 58.100 -0.269 0.000 1.377 191 Y CB -0.155 38.148 38.460 -0.261 0.000 1.168 191 Y HN 0.065 nan 8.280 nan 0.000 0.525 192 G N 4.483 112.919 108.800 -0.605 0.000 2.422 192 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 192 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 192 G C 1.073 175.565 174.900 -0.679 0.000 1.140 192 G CA 0.208 44.979 45.100 -0.547 0.000 0.775 192 G HN 0.622 nan 8.290 nan 0.000 0.545 193 F N 1.512 120.879 119.950 -0.972 0.000 2.771 193 F HA 0.028 4.555 4.527 -0.000 0.000 0.299 193 F C 2.824 178.279 175.800 -0.575 0.000 1.177 193 F CA 0.695 58.284 58.000 -0.684 0.000 1.450 193 F CB -0.134 38.556 39.000 -0.516 0.000 1.114 193 F HN 0.417 nan 8.300 nan 0.000 0.587 194 Q N -1.055 118.387 119.800 -0.597 0.000 2.389 194 Q HA -0.088 4.252 4.340 -0.000 0.000 0.204 194 Q C -0.334 175.466 176.000 -0.334 0.000 0.944 194 Q CA 0.710 56.288 55.803 -0.375 0.000 0.908 194 Q CB -0.368 28.121 28.738 -0.414 0.000 1.002 194 Q HN 0.244 nan 8.270 nan 0.000 0.493 195 Y N 2.438 122.638 120.300 -0.166 0.000 2.304 195 Y HA 0.248 4.798 4.550 0.000 0.000 0.328 195 Y C 0.772 176.557 175.900 -0.192 0.000 1.123 195 Y CA -1.251 56.764 58.100 -0.141 0.000 1.218 195 Y CB 1.204 39.578 38.460 -0.142 0.000 1.207 195 Y HN 0.126 nan 8.280 nan 0.000 0.495 196 S N 2.964 118.664 115.700 0.000 0.000 2.624 196 S HA 0.257 4.727 4.470 -0.000 0.000 0.263 196 S C -1.967 172.559 174.600 -0.124 0.000 1.287 196 S CA -1.082 57.016 58.200 -0.170 0.000 0.990 196 S CB 1.273 64.447 63.200 -0.043 0.000 0.950 196 S HN 0.413 nan 8.310 nan 0.000 0.561 197 P HA -0.162 nan 4.420 nan 0.000 0.215 197 P C 1.426 178.693 177.300 -0.056 0.000 1.157 197 P CA 1.643 64.661 63.100 -0.137 0.000 0.868 197 P CB -0.103 31.516 31.700 -0.136 0.000 0.788 198 K N 0.089 120.451 120.400 -0.064 0.000 2.147 198 K HA -0.188 4.132 4.320 -0.000 0.000 0.205 198 K C 1.918 178.511 176.600 -0.010 0.000 1.049 198 K CA 1.507 57.798 56.287 0.008 0.000 0.936 198 K CB -0.649 31.864 32.500 0.022 0.000 0.722 198 K HN 0.162 nan 8.250 nan 0.000 0.446 199 Q N 0.258 120.049 119.800 -0.016 0.000 2.245 199 Q HA -0.008 4.332 4.340 -0.000 0.000 0.201 199 Q C 2.210 178.042 176.000 -0.280 0.000 0.955 199 Q CA 0.808 56.578 55.803 -0.055 0.000 0.870 199 Q CB 0.045 28.851 28.738 0.113 0.000 0.945 199 Q HN 0.360 nan 8.270 nan 0.000 0.461 200 R N 0.396 120.782 120.500 -0.189 0.000 2.073 200 R HA -0.093 4.247 4.340 -0.000 0.000 0.229 200 R C 1.998 178.212 176.300 -0.144 0.000 1.120 200 R CA 0.937 56.901 56.100 -0.227 0.000 0.967 200 R CB -0.006 30.259 30.300 -0.059 0.000 0.862 200 R HN 0.084 nan 8.270 nan 0.000 0.436 201 V N 1.415 121.275 119.914 -0.090 0.000 2.295 201 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 201 V C 2.324 178.352 176.094 -0.111 0.000 1.049 201 V CA 2.198 64.452 62.300 -0.077 0.000 1.024 201 V CB -0.575 31.245 31.823 -0.003 0.000 0.648 201 V HN 0.474 nan 8.190 nan 0.000 0.447 202 E N -0.383 119.764 120.200 -0.089 0.000 2.038 202 E HA -0.291 4.059 4.350 -0.000 0.000 0.195 202 E C 2.129 178.669 176.600 -0.101 0.000 1.000 202 E CA 1.955 58.308 56.400 -0.079 0.000 0.803 202 E CB -0.244 29.430 29.700 -0.043 0.000 0.750 202 E HN 0.522 nan 8.360 nan 0.000 0.448 203 F N 1.185 120.952 119.950 -0.304 0.000 2.095 203 F HA -0.193 4.334 4.527 0.000 0.000 0.298 203 F C 2.010 177.702 175.800 -0.181 0.000 1.104 203 F CA 1.413 59.239 58.000 -0.290 0.000 1.232 203 F CB -0.274 38.400 39.000 -0.542 0.000 0.987 203 F HN 0.022 nan 8.300 nan 0.000 0.475 204 L N -0.895 120.220 121.223 -0.180 0.000 2.046 204 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 204 L C 2.359 179.094 176.870 -0.226 0.000 1.077 204 L CA 1.119 55.834 54.840 -0.209 0.000 0.747 204 L CB -0.817 41.161 42.059 -0.135 0.000 0.896 204 L HN 0.003 nan 8.230 nan 0.000 0.432 205 V N -0.102 119.660 119.914 -0.253 0.000 2.307 205 V HA -0.242 3.878 4.120 -0.000 0.000 0.245 205 V C 2.190 178.185 176.094 -0.164 0.000 1.045 205 V CA 1.747 63.878 62.300 -0.281 0.000 1.024 205 V CB -0.649 30.882 31.823 -0.487 0.000 0.651 205 V HN 0.471 nan 8.190 nan 0.000 0.449 206 N N 0.086 118.673 118.700 -0.188 0.000 2.142 206 N HA -0.122 4.618 4.740 -0.000 0.000 0.186 206 N C 1.929 177.313 175.510 -0.210 0.000 1.023 206 N CA 1.874 54.828 53.050 -0.160 0.000 0.852 206 N CB -0.605 37.802 38.487 -0.133 0.000 0.998 206 N HN 0.444 nan 8.380 nan 0.000 0.424 207 T N 0.646 114.977 114.554 -0.372 0.000 2.708 207 T HA -0.147 4.203 4.350 -0.000 0.000 0.266 207 T C 1.505 176.093 174.700 -0.186 0.000 1.037 207 T CA 0.704 62.574 62.100 -0.384 0.000 1.146 207 T CB -0.236 68.229 68.868 -0.671 0.000 0.865 207 T HN 0.422 nan 8.240 nan 0.000 0.435 208 W N 2.470 123.599 121.300 -0.284 0.000 2.335 208 W HA -0.119 4.541 4.660 -0.000 0.000 0.311 208 W C 1.772 178.198 176.519 -0.155 0.000 1.213 208 W CA 1.253 58.475 57.345 -0.204 0.000 1.274 208 W CB -0.164 29.172 29.460 -0.207 0.000 1.148 208 W HN 0.236 nan 8.180 nan 0.000 0.498 209 K N 0.300 120.701 120.400 0.001 0.000 2.362 209 K HA -0.120 4.200 4.320 -0.000 0.000 0.200 209 K C 2.006 178.541 176.600 -0.109 0.000 1.046 209 K CA 1.505 57.765 56.287 -0.045 0.000 0.952 209 K CB -0.417 32.084 32.500 0.002 0.000 0.753 209 K HN 0.116 nan 8.250 nan 0.000 0.466 210 S N 0.693 116.312 115.700 -0.135 0.000 2.522 210 S HA -0.006 4.464 4.470 -0.000 0.000 0.227 210 S C 0.618 175.129 174.600 -0.149 0.000 0.986 210 S CA 0.173 58.299 58.200 -0.125 0.000 0.929 210 S CB 0.029 63.157 63.200 -0.119 0.000 0.769 210 S HN 0.019 nan 8.310 nan 0.000 0.529 211 K N 1.524 121.789 120.400 -0.224 0.000 2.098 211 K HA 0.303 4.623 4.320 -0.000 0.000 0.261 211 K C 0.706 177.186 176.600 -0.200 0.000 0.987 211 K CA -0.526 55.621 56.287 -0.233 0.000 0.916 211 K CB 1.259 33.555 32.500 -0.340 0.000 1.039 211 K HN 0.090 nan 8.250 nan 0.000 0.455 212 K N 0.356 120.668 120.400 -0.146 0.000 2.057 212 K HA -0.082 4.238 4.320 -0.000 0.000 0.206 212 K C 0.086 176.614 176.600 -0.120 0.000 1.050 212 K CA 1.079 57.301 56.287 -0.108 0.000 0.935 212 K CB 0.164 32.619 32.500 -0.075 0.000 0.715 212 K HN 0.537 nan 8.250 nan 0.000 0.439 213 C N 2.754 121.969 119.300 -0.142 0.000 2.789 213 C HA 0.481 4.941 4.460 -0.000 0.000 0.324 213 C C -2.768 172.095 174.990 -0.211 0.000 1.042 213 C CA -2.223 56.718 59.018 -0.129 0.000 1.396 213 C CB 1.005 28.713 27.740 -0.054 0.000 1.870 213 C HN 0.263 nan 8.230 nan 0.000 0.470 214 P HA 0.312 nan 4.420 nan 0.000 0.277 214 P C -0.822 176.162 177.300 -0.526 0.000 1.240 214 P CA -0.092 62.569 63.100 -0.731 0.000 0.798 214 P CB 1.216 31.884 31.700 -1.719 0.000 0.979 215 M N 1.805 121.149 119.600 -0.426 0.000 2.386 215 M HA 0.640 5.120 4.480 -0.000 0.000 0.293 215 M C -1.233 174.987 176.300 -0.134 0.000 1.120 215 M CA -0.278 54.837 55.300 -0.308 0.000 0.909 215 M CB 2.335 34.808 32.600 -0.212 0.000 1.661 215 M HN 0.588 nan 8.290 nan 0.000 0.452 216 G N 3.679 112.517 108.800 0.062 0.000 2.672 216 G HA2 0.853 4.813 3.960 -0.000 0.000 0.292 216 G HA3 0.853 4.813 3.960 -0.000 0.000 0.292 216 G C -2.020 172.965 174.900 0.141 0.000 1.375 216 G CA -0.642 44.532 45.100 0.124 0.000 0.890 216 G HN 0.819 nan 8.290 nan 0.000 0.476 217 F N -0.521 119.400 119.950 -0.049 0.000 2.665 217 F HA 0.763 5.290 4.527 -0.000 0.000 0.308 217 F C -0.202 175.593 175.800 -0.010 0.000 1.112 217 F CA -1.378 56.594 58.000 -0.047 0.000 0.972 217 F CB 1.265 40.223 39.000 -0.070 0.000 1.295 217 F HN 0.638 nan 8.300 nan 0.000 0.440 218 S N 1.278 117.083 115.700 0.176 0.000 2.616 218 S HA 0.623 5.093 4.470 -0.000 0.000 0.277 218 S C -1.491 173.326 174.600 0.363 0.000 1.234 218 S CA -0.579 57.699 58.200 0.131 0.000 1.028 218 S CB 1.648 64.893 63.200 0.074 0.000 0.988 218 S HN 0.865 nan 8.310 nan 0.000 0.522 219 Y N 1.169 121.602 120.300 0.222 0.000 2.326 219 Y HA 0.439 4.989 4.550 0.000 0.000 0.329 219 Y C -1.050 174.979 175.900 0.215 0.000 0.973 219 Y CA -0.850 57.438 58.100 0.313 0.000 1.162 219 Y CB 1.351 40.107 38.460 0.494 0.000 1.147 219 Y HN 0.864 nan 8.280 nan 0.000 0.456 220 D N 4.064 124.320 120.400 -0.240 0.000 2.274 220 D HA 0.272 4.912 4.640 -0.000 0.000 0.239 220 D C -0.868 175.299 176.300 -0.221 0.000 1.104 220 D CA -0.024 53.901 54.000 -0.125 0.000 0.840 220 D CB 1.198 41.946 40.800 -0.086 0.000 1.100 220 D HN 0.478 nan 8.370 nan 0.000 0.477 221 T N 3.826 118.432 114.554 0.088 0.000 2.806 221 T HA 0.315 4.665 4.350 -0.000 0.000 0.290 221 T C 0.073 174.872 174.700 0.165 0.000 0.966 221 T CA -0.775 61.448 62.100 0.206 0.000 1.060 221 T CB 0.554 69.744 68.868 0.536 0.000 0.927 221 T HN 0.371 nan 8.240 nan 0.000 0.485 222 R N 1.058 121.613 120.500 0.092 0.000 2.442 222 R HA 0.359 4.699 4.340 -0.000 0.000 0.291 222 R C -0.113 176.301 176.300 0.189 0.000 1.069 222 R CA -0.683 55.473 56.100 0.093 0.000 1.022 222 R CB -0.664 29.640 30.300 0.008 0.000 0.976 222 R HN 0.701 nan 8.270 nan 0.000 0.443 223 C N 3.767 123.200 119.300 0.222 0.000 3.563 223 C HA -0.155 4.305 4.460 -0.000 0.000 0.284 223 C C 1.297 176.493 174.990 0.343 0.000 1.356 223 C CA 0.224 59.419 59.018 0.294 0.000 2.166 223 C CB -2.984 24.983 27.740 0.379 0.000 1.399 223 C HN 1.018 nan 8.230 nan 0.000 0.583 224 F N 2.001 122.064 119.950 0.188 0.000 2.085 224 F HA -0.227 4.300 4.527 -0.000 0.000 0.299 224 F C 1.934 177.839 175.800 0.175 0.000 1.096 224 F CA 2.532 60.642 58.000 0.183 0.000 1.227 224 F CB -0.047 39.049 39.000 0.160 0.000 0.983 224 F HN 0.448 nan 8.300 nan 0.000 0.482 225 D N -0.536 120.118 120.400 0.423 0.000 2.149 225 D HA -0.159 4.481 4.640 -0.000 0.000 0.198 225 D C 2.472 178.848 176.300 0.127 0.000 0.990 225 D CA 1.629 55.804 54.000 0.292 0.000 0.839 225 D CB -0.470 40.493 40.800 0.273 0.000 0.948 225 D HN 0.259 nan 8.370 nan 0.000 0.460 226 S N -0.634 115.148 115.700 0.138 0.000 2.428 226 S HA -0.101 4.369 4.470 -0.000 0.000 0.230 226 S C 2.026 176.590 174.600 -0.060 0.000 1.014 226 S CA 1.365 59.549 58.200 -0.026 0.000 0.957 226 S CB -0.196 62.978 63.200 -0.043 0.000 0.784 226 S HN 0.528 nan 8.310 nan 0.000 0.499 227 T N -0.326 114.273 114.554 0.075 0.000 3.085 227 T HA 0.112 4.462 4.350 -0.000 0.000 0.263 227 T C 0.587 175.227 174.700 -0.100 0.000 1.127 227 T CA 0.082 62.215 62.100 0.054 0.000 1.103 227 T CB -0.399 68.464 68.868 -0.008 0.000 0.921 227 T HN 0.030 nan 8.240 nan 0.000 0.510 228 V N 4.078 123.909 119.914 -0.140 0.000 2.446 228 V HA 0.305 4.425 4.120 -0.000 0.000 0.276 228 V C 1.142 177.195 176.094 -0.068 0.000 1.030 228 V CA -0.291 61.943 62.300 -0.109 0.000 1.033 228 V CB -0.015 31.788 31.823 -0.033 0.000 0.993 228 V HN 0.713 nan 8.190 nan 0.000 0.477 229 T N 1.212 115.736 114.554 -0.050 0.000 2.902 229 T HA 0.335 4.685 4.350 -0.000 0.000 0.280 229 T C 1.002 175.688 174.700 -0.024 0.000 0.992 229 T CA -0.587 61.488 62.100 -0.042 0.000 1.015 229 T CB 1.387 70.235 68.868 -0.034 0.000 1.044 229 T HN 0.591 nan 8.240 nan 0.000 0.520 230 E N 0.760 120.946 120.200 -0.024 0.000 2.070 230 E HA -0.136 4.214 4.350 -0.000 0.000 0.197 230 E C 2.323 178.924 176.600 0.003 0.000 1.004 230 E CA 1.576 57.973 56.400 -0.005 0.000 0.805 230 E CB -0.511 29.184 29.700 -0.008 0.000 0.744 230 E HN 0.677 nan 8.360 nan 0.000 0.451 231 S N 0.378 116.074 115.700 -0.007 0.000 2.370 231 S HA -0.239 4.231 4.470 -0.000 0.000 0.226 231 S C 1.519 176.128 174.600 0.015 0.000 1.033 231 S CA 1.705 59.903 58.200 -0.004 0.000 1.011 231 S CB -0.371 62.812 63.200 -0.028 0.000 0.852 231 S HN 0.176 nan 8.310 nan 0.000 0.457 232 D N 1.029 121.439 120.400 0.016 0.000 2.104 232 D HA -0.051 4.589 4.640 -0.000 0.000 0.194 232 D C 1.891 178.206 176.300 0.025 0.000 0.994 232 D CA 1.302 55.326 54.000 0.040 0.000 0.830 232 D CB -0.423 40.395 40.800 0.031 0.000 0.959 232 D HN 0.485 nan 8.370 nan 0.000 0.452 233 I N 0.154 120.739 120.570 0.026 0.000 2.315 233 I HA -0.204 3.966 4.170 -0.000 0.000 0.248 233 I C 2.400 178.534 176.117 0.029 0.000 1.117 233 I CA 0.780 62.103 61.300 0.038 0.000 1.404 233 I CB 0.001 38.044 38.000 0.072 0.000 1.071 233 I HN -0.143 nan 8.210 nan 0.000 0.419 234 R N 0.074 120.588 120.500 0.024 0.000 2.115 234 R HA -0.053 4.287 4.340 -0.000 0.000 0.226 234 R C 2.201 178.491 176.300 -0.017 0.000 1.100 234 R CA 0.799 56.908 56.100 0.016 0.000 0.980 234 R CB -0.254 30.056 30.300 0.017 0.000 0.875 234 R HN 0.126 nan 8.270 nan 0.000 0.445 235 V N 0.655 120.561 119.914 -0.014 0.000 2.358 235 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 235 V C 2.211 178.231 176.094 -0.124 0.000 1.047 235 V CA 2.051 64.335 62.300 -0.028 0.000 1.035 235 V CB -0.386 31.463 31.823 0.044 0.000 0.658 235 V HN 0.449 nan 8.190 nan 0.000 0.452 236 E N 0.208 120.311 120.200 -0.161 0.000 2.058 236 E HA -0.312 4.038 4.350 -0.000 0.000 0.194 236 E C 2.286 178.497 176.600 -0.648 0.000 0.997 236 E CA 1.789 57.964 56.400 -0.376 0.000 0.801 236 E CB -0.230 29.308 29.700 -0.270 0.000 0.746 236 E HN 0.684 nan 8.360 nan 0.000 0.450 237 E N 0.264 120.273 120.200 -0.318 0.000 2.118 237 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 237 E C 2.098 178.632 176.600 -0.110 0.000 0.992 237 E CA 1.506 57.825 56.400 -0.135 0.000 0.804 237 E CB -0.136 29.606 29.700 0.069 0.000 0.741 237 E HN 0.329 nan 8.360 nan 0.000 0.458 238 S N 0.097 115.729 115.700 -0.113 0.000 2.419 238 S HA -0.132 4.338 4.470 -0.000 0.000 0.233 238 S C 2.009 176.561 174.600 -0.080 0.000 1.016 238 S CA 0.909 59.070 58.200 -0.065 0.000 0.974 238 S CB -0.419 62.753 63.200 -0.047 0.000 0.786 238 S HN 0.320 nan 8.310 nan 0.000 0.492 239 I N -0.083 120.384 120.570 -0.173 0.000 2.233 239 I HA -0.087 4.083 4.170 -0.000 0.000 0.243 239 I C 2.288 178.391 176.117 -0.022 0.000 1.093 239 I CA 1.130 62.343 61.300 -0.145 0.000 1.380 239 I CB -0.482 37.374 38.000 -0.239 0.000 1.067 239 I HN 0.217 nan 8.210 nan 0.000 0.413 240 Y N 1.210 121.501 120.300 -0.014 0.000 2.165 240 Y HA -0.243 4.307 4.550 -0.000 0.000 0.286 240 Y C 2.640 178.539 175.900 -0.001 0.000 1.155 240 Y CA 0.741 58.836 58.100 -0.008 0.000 1.164 240 Y CB -1.127 37.341 38.460 0.013 0.000 0.978 240 Y HN 0.263 nan 8.280 nan 0.000 0.513 241 Q N -1.325 118.565 119.800 0.149 0.000 2.437 241 Q HA -0.112 4.228 4.340 -0.000 0.000 0.210 241 Q C 2.153 178.185 176.000 0.053 0.000 0.972 241 Q CA 0.891 56.746 55.803 0.088 0.000 0.903 241 Q CB -0.665 28.108 28.738 0.059 0.000 0.967 241 Q HN 0.509 nan 8.270 nan 0.000 0.486 242 C N -0.027 119.300 119.300 0.044 0.000 2.500 242 C HA 0.053 4.513 4.460 -0.000 0.000 0.273 242 C C 1.480 176.485 174.990 0.026 0.000 1.428 242 C CA -0.861 58.171 59.018 0.024 0.000 1.766 242 C CB -0.733 27.011 27.740 0.007 0.000 1.817 242 C HN 0.390 nan 8.230 nan 0.000 0.543 243 C N 1.834 121.159 119.300 0.041 0.000 2.656 243 C HA 0.143 4.603 4.460 -0.000 0.000 0.391 243 C C 0.622 175.627 174.990 0.025 0.000 1.300 243 C CA -0.365 58.670 59.018 0.029 0.000 2.302 243 C CB -0.163 27.597 27.740 0.034 0.000 2.655 243 C HN 0.515 nan 8.230 nan 0.000 0.656 244 D N 1.265 121.675 120.400 0.017 0.000 2.312 244 D HA 0.429 5.069 4.640 -0.000 0.000 0.252 244 D C -0.986 175.327 176.300 0.022 0.000 1.150 244 D CA 0.245 54.255 54.000 0.017 0.000 0.870 244 D CB 0.469 41.276 40.800 0.011 0.000 1.153 244 D HN 0.412 nan 8.370 nan 0.000 0.457 245 L N 2.326 123.566 121.223 0.029 0.000 2.388 245 L HA 0.505 4.845 4.340 -0.000 0.000 0.264 245 L C 0.242 177.137 176.870 0.041 0.000 0.998 245 L CA -1.103 53.760 54.840 0.037 0.000 0.817 245 L CB 1.963 44.050 42.059 0.046 0.000 1.338 245 L HN 0.421 nan 8.230 nan 0.000 0.414 246 A N 2.909 125.760 122.820 0.051 0.000 2.498 246 A HA 0.314 4.634 4.320 -0.000 0.000 0.239 246 A C -1.740 175.883 177.584 0.066 0.000 1.068 246 A CA -0.748 51.324 52.037 0.059 0.000 0.766 246 A CB -0.182 18.862 19.000 0.074 0.000 1.003 246 A HN 0.634 nan 8.150 nan 0.000 0.497 247 P HA -0.203 nan 4.420 nan 0.000 0.216 247 P C 1.051 178.379 177.300 0.046 0.000 1.157 247 P CA 1.810 64.934 63.100 0.041 0.000 0.880 247 P CB 0.106 31.826 31.700 0.034 0.000 0.791 248 E N -0.753 119.501 120.200 0.090 0.000 2.150 248 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 248 E C 2.074 178.740 176.600 0.111 0.000 0.985 248 E CA 1.060 57.523 56.400 0.106 0.000 0.814 248 E CB -0.456 29.418 29.700 0.290 0.000 0.752 248 E HN 0.178 nan 8.360 nan 0.000 0.466 249 A N 1.536 124.469 122.820 0.188 0.000 1.898 249 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 249 A C 2.103 179.732 177.584 0.076 0.000 1.181 249 A CA 1.173 53.320 52.037 0.184 0.000 0.620 249 A CB -0.373 18.723 19.000 0.160 0.000 0.819 249 A HN 0.045 nan 8.150 nan 0.000 0.442 250 R N -1.079 119.453 120.500 0.053 0.000 2.091 250 R HA -0.214 4.126 4.340 -0.000 0.000 0.238 250 R C 2.475 178.773 176.300 -0.003 0.000 1.136 250 R CA 1.932 58.051 56.100 0.032 0.000 0.959 250 R CB -0.179 30.138 30.300 0.028 0.000 0.856 250 R HN 0.588 nan 8.270 nan 0.000 0.437 251 Q N 0.031 119.806 119.800 -0.042 0.000 2.046 251 Q HA -0.034 4.306 4.340 -0.000 0.000 0.200 251 Q C 1.786 177.697 176.000 -0.148 0.000 0.975 251 Q CA 2.093 57.840 55.803 -0.094 0.000 0.836 251 Q CB -0.296 28.364 28.738 -0.129 0.000 0.896 251 Q HN 0.368 nan 8.270 nan 0.000 0.428 252 A N 0.125 122.813 122.820 -0.220 0.000 1.972 252 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 252 A C 2.122 179.637 177.584 -0.115 0.000 1.169 252 A CA 1.453 53.317 52.037 -0.289 0.000 0.635 252 A CB -0.727 17.987 19.000 -0.476 0.000 0.810 252 A HN 0.482 nan 8.150 nan 0.000 0.446 253 I N -1.269 119.290 120.570 -0.019 0.000 2.202 253 I HA -0.221 3.949 4.170 -0.000 0.000 0.242 253 I C 2.658 178.804 176.117 0.049 0.000 1.091 253 I CA 1.666 63.004 61.300 0.063 0.000 1.368 253 I CB -0.248 37.820 38.000 0.114 0.000 1.058 253 I HN 0.313 nan 8.210 nan 0.000 0.410 254 R N 1.017 121.524 120.500 0.012 0.000 2.081 254 R HA -0.128 4.212 4.340 -0.000 0.000 0.235 254 R C 2.304 178.578 176.300 -0.044 0.000 1.131 254 R CA 2.049 58.149 56.100 0.000 0.000 0.960 254 R CB -0.391 29.901 30.300 -0.015 0.000 0.856 254 R HN 0.163 nan 8.270 nan 0.000 0.436 255 S N 0.248 115.893 115.700 -0.092 0.000 2.371 255 S HA -0.024 4.446 4.470 -0.000 0.000 0.224 255 S C 1.804 176.301 174.600 -0.171 0.000 1.029 255 S CA 1.196 59.320 58.200 -0.126 0.000 0.978 255 S CB -0.233 62.870 63.200 -0.163 0.000 0.833 255 S HN 0.257 nan 8.310 nan 0.000 0.466 256 L N 1.115 122.201 121.223 -0.228 0.000 2.083 256 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 256 L C 2.666 179.203 176.870 -0.555 0.000 1.083 256 L CA 1.163 55.729 54.840 -0.457 0.000 0.752 256 L CB -1.064 40.664 42.059 -0.551 0.000 0.899 256 L HN 0.318 nan 8.230 nan 0.000 0.433 257 T N -0.997 113.434 114.554 -0.206 0.000 2.674 257 T HA -0.162 4.188 4.350 -0.000 0.000 0.265 257 T C 1.795 176.486 174.700 -0.015 0.000 1.039 257 T CA 1.252 63.370 62.100 0.030 0.000 1.150 257 T CB -0.096 68.861 68.868 0.148 0.000 0.864 257 T HN 0.270 nan 8.240 nan 0.000 0.427 258 E N 0.969 121.145 120.200 -0.040 0.000 2.152 258 E HA 0.013 4.363 4.350 -0.000 0.000 0.192 258 E C 2.343 178.916 176.600 -0.045 0.000 0.983 258 E CA 0.829 57.213 56.400 -0.026 0.000 0.818 258 E CB -0.130 29.555 29.700 -0.025 0.000 0.758 258 E HN 0.458 nan 8.360 nan 0.000 0.467 259 R N -0.516 119.927 120.500 -0.095 0.000 2.210 259 R HA 0.095 4.435 4.340 -0.000 0.000 0.203 259 R C 1.735 177.973 176.300 -0.104 0.000 1.010 259 R CA 0.375 56.422 56.100 -0.088 0.000 1.008 259 R CB 0.280 30.520 30.300 -0.101 0.000 0.923 259 R HN 0.039 nan 8.270 nan 0.000 0.469 260 L N -2.312 118.810 121.223 -0.168 0.000 2.678 260 L HA 0.172 4.512 4.340 -0.000 0.000 0.187 260 L C 1.247 178.117 176.870 -0.001 0.000 1.073 260 L CA 0.695 55.448 54.840 -0.144 0.000 0.883 260 L CB -0.320 41.581 42.059 -0.262 0.000 1.501 260 L HN -0.141 nan 8.230 nan 0.000 0.488 261 Y N 1.608 121.918 120.300 0.017 0.000 2.145 261 Y HA -0.113 4.437 4.550 -0.000 0.000 0.286 261 Y C 2.562 178.464 175.900 0.003 0.000 1.145 261 Y CA 1.688 59.806 58.100 0.029 0.000 1.148 261 Y CB -1.288 37.211 38.460 0.066 0.000 0.981 261 Y HN 0.371 nan 8.280 nan 0.000 0.507 262 I N -2.564 118.090 120.570 0.140 0.000 2.676 262 I HA 0.309 4.479 4.170 -0.000 0.000 0.259 262 I C 1.118 177.235 176.117 -0.000 0.000 1.194 262 I CA 1.114 62.452 61.300 0.064 0.000 1.473 262 I CB -0.452 37.577 38.000 0.048 0.000 1.096 262 I HN 0.151 nan 8.210 nan 0.000 0.443 263 G N -0.435 108.345 108.800 -0.034 0.000 2.343 263 G HA2 0.467 4.427 3.960 -0.000 0.000 0.289 263 G HA3 0.467 4.427 3.960 -0.000 0.000 0.289 263 G C -0.743 174.002 174.900 -0.258 0.000 1.295 263 G CA -0.273 44.729 45.100 -0.162 0.000 0.869 263 G HN 0.833 nan 8.290 nan 0.000 0.522 264 G N -1.142 107.258 108.800 -0.666 0.000 2.337 264 G HA2 0.663 4.623 3.960 -0.000 0.000 0.298 264 G HA3 0.663 4.623 3.960 -0.000 0.000 0.298 264 G C -3.474 170.836 174.900 -0.984 0.000 1.335 264 G CA 0.217 44.898 45.100 -0.700 0.000 0.875 264 G HN 0.892 nan 8.290 nan 0.000 0.579 265 P HA 0.487 nan 4.420 nan 0.000 0.275 265 P C -0.535 176.685 177.300 -0.133 0.000 1.228 265 P CA -0.152 62.846 63.100 -0.171 0.000 0.786 265 P CB 1.090 32.820 31.700 0.051 0.000 0.927 266 L N 2.368 123.550 121.223 -0.068 0.000 2.313 266 L HA 0.480 4.820 4.340 -0.000 0.000 0.283 266 L C 0.550 177.429 176.870 0.014 0.000 1.013 266 L CA -0.255 54.570 54.840 -0.025 0.000 0.816 266 L CB 1.562 43.640 42.059 0.032 0.000 1.236 266 L HN 0.264 nan 8.230 nan 0.000 0.419 267 T N 1.240 115.783 114.554 -0.018 0.000 2.856 267 T HA 0.365 4.715 4.350 -0.000 0.000 0.283 267 T C -0.186 174.503 174.700 -0.018 0.000 1.008 267 T CA -0.834 61.261 62.100 -0.009 0.000 0.997 267 T CB 1.565 70.414 68.868 -0.031 0.000 0.992 267 T HN 0.661 nan 8.240 nan 0.000 0.454 268 N N 0.413 119.117 118.700 0.007 0.000 2.405 268 N HA 0.156 4.896 4.740 -0.000 0.000 0.269 268 N C 1.468 176.972 175.510 -0.010 0.000 1.249 268 N CA -0.329 52.724 53.050 0.005 0.000 0.974 268 N CB 0.042 38.542 38.487 0.023 0.000 1.204 268 N HN 0.464 nan 8.380 nan 0.000 0.565 269 S N -1.007 114.695 115.700 0.003 0.000 2.442 269 S HA -0.140 4.330 4.470 -0.000 0.000 0.236 269 S C 0.961 175.562 174.600 0.001 0.000 1.007 269 S CA 0.772 58.977 58.200 0.007 0.000 0.965 269 S CB -0.495 62.722 63.200 0.029 0.000 0.773 269 S HN 0.626 nan 8.310 nan 0.000 0.504 270 K N 0.782 121.184 120.400 0.003 0.000 2.458 270 K HA 0.267 4.587 4.320 -0.000 0.000 0.194 270 K C 1.217 177.815 176.600 -0.004 0.000 1.024 270 K CA 0.346 56.634 56.287 0.001 0.000 1.108 270 K CB -0.218 32.286 32.500 0.007 0.000 0.846 270 K HN 0.557 nan 8.250 nan 0.000 0.518 271 G N 1.855 110.649 108.800 -0.010 0.000 2.143 271 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.249 271 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.249 271 G C -0.273 174.628 174.900 0.001 0.000 0.981 271 G CA -0.041 45.051 45.100 -0.013 0.000 0.665 271 G HN 0.389 nan 8.290 nan 0.000 0.528 272 Q N -0.068 119.739 119.800 0.011 0.000 2.259 272 Q HA 0.427 4.767 4.340 -0.000 0.000 0.249 272 Q C 0.245 176.267 176.000 0.035 0.000 0.914 272 Q CA -0.710 55.107 55.803 0.024 0.000 0.904 272 Q CB 0.809 29.564 28.738 0.027 0.000 1.213 272 Q HN 0.247 nan 8.270 nan 0.000 0.428 273 N N 1.105 119.831 118.700 0.043 0.000 2.427 273 N HA -0.052 4.688 4.740 -0.000 0.000 0.269 273 N C -0.271 175.291 175.510 0.086 0.000 1.235 273 N CA 0.163 53.248 53.050 0.059 0.000 0.934 273 N CB 0.475 38.997 38.487 0.058 0.000 1.121 273 N HN 0.667 nan 8.380 nan 0.000 0.480 274 C N 2.432 121.797 119.300 0.108 0.000 2.611 274 C HA 0.585 5.045 4.460 -0.000 0.000 0.282 274 C C 1.080 176.230 174.990 0.266 0.000 1.321 274 C CA 0.962 60.090 59.018 0.183 0.000 1.747 274 C CB -1.333 26.523 27.740 0.193 0.000 2.124 274 C HN 0.896 nan 8.230 nan 0.000 0.531 275 G N -1.564 107.330 108.800 0.157 0.000 2.356 275 G HA2 0.293 4.253 3.960 -0.000 0.000 0.266 275 G HA3 0.293 4.253 3.960 -0.000 0.000 0.266 275 G C -2.155 172.768 174.900 0.037 0.000 1.312 275 G CA -0.252 44.892 45.100 0.073 0.000 0.922 275 G HN 0.148 nan 8.290 nan 0.000 0.480 276 Y N 0.521 120.686 120.300 -0.225 0.000 2.470 276 Y HA 0.762 5.312 4.550 -0.000 0.000 0.341 276 Y C -0.063 175.689 175.900 -0.246 0.000 1.021 276 Y CA -0.869 57.123 58.100 -0.180 0.000 1.025 276 Y CB 2.036 40.410 38.460 -0.143 0.000 1.266 276 Y HN 0.705 nan 8.280 nan 0.000 0.448 277 R N 4.912 125.050 120.500 -0.603 0.000 2.445 277 R HA 0.570 4.910 4.340 -0.000 0.000 0.308 277 R C -0.878 175.168 176.300 -0.425 0.000 0.961 277 R CA -0.638 55.140 56.100 -0.537 0.000 0.862 277 R CB 0.990 31.045 30.300 -0.408 0.000 1.144 277 R HN 0.922 nan 8.270 nan 0.000 0.447 278 R N 3.347 123.617 120.500 -0.383 0.000 2.690 278 R HA 0.226 4.566 4.340 -0.000 0.000 0.419 278 R C -0.606 175.552 176.300 -0.235 0.000 1.090 278 R CA -0.317 55.661 56.100 -0.204 0.000 1.064 278 R CB 0.459 30.704 30.300 -0.093 0.000 1.391 278 R HN 0.787 nan 8.270 nan 0.000 0.586 279 C N -2.047 117.069 119.300 -0.306 0.000 3.335 279 C HA 0.589 5.049 4.460 -0.000 0.000 0.356 279 C C -0.362 174.555 174.990 -0.121 0.000 1.570 279 C CA -1.545 57.339 59.018 -0.223 0.000 1.271 279 C CB 1.298 28.846 27.740 -0.320 0.000 1.873 279 C HN 0.383 nan 8.230 nan 0.000 0.439 280 R N 1.273 121.756 120.500 -0.027 0.000 2.480 280 R HA 0.452 4.792 4.340 -0.000 0.000 0.303 280 R C 0.201 176.552 176.300 0.084 0.000 0.985 280 R CA 1.021 57.156 56.100 0.059 0.000 1.051 280 R CB -0.249 30.132 30.300 0.135 0.000 0.935 280 R HN 1.211 nan 8.270 nan 0.000 0.410 281 A N 3.643 126.523 122.820 0.100 0.000 2.409 281 A HA 0.208 4.528 4.320 -0.000 0.000 0.262 281 A C 1.206 178.887 177.584 0.162 0.000 1.113 281 A CA 0.173 52.292 52.037 0.137 0.000 0.790 281 A CB 0.533 19.619 19.000 0.144 0.000 1.046 281 A HN 1.033 nan 8.150 nan 0.000 0.496 282 S N 2.277 118.090 115.700 0.189 0.000 2.406 282 S HA 0.002 4.472 4.470 -0.000 0.000 0.228 282 S C 1.252 175.958 174.600 0.176 0.000 1.020 282 S CA 1.184 59.495 58.200 0.185 0.000 0.965 282 S CB -0.216 63.102 63.200 0.197 0.000 0.798 282 S HN 1.290 nan 8.310 nan 0.000 0.488 283 G N 1.885 110.812 108.800 0.212 0.000 3.702 283 G HA2 0.496 4.456 3.960 -0.000 0.000 0.288 283 G HA3 0.496 4.456 3.960 -0.000 0.000 0.288 283 G C 0.034 175.060 174.900 0.211 0.000 1.193 283 G CA 0.090 45.324 45.100 0.223 0.000 0.952 283 G HN 0.665 nan 8.290 nan 0.000 0.544 284 V N -2.767 117.250 119.914 0.171 0.000 2.994 284 V HA 0.574 4.694 4.120 -0.000 0.000 0.318 284 V C 1.457 177.600 176.094 0.083 0.000 1.085 284 V CA -0.948 61.458 62.300 0.176 0.000 0.998 284 V CB 1.737 33.723 31.823 0.272 0.000 1.063 284 V HN 0.037 nan 8.190 nan 0.000 0.447 285 L N 2.459 123.737 121.223 0.092 0.000 2.083 285 L HA -0.060 4.280 4.340 -0.000 0.000 0.209 285 L C 2.386 179.215 176.870 -0.068 0.000 1.083 285 L CA 3.016 57.872 54.840 0.027 0.000 0.752 285 L CB -0.640 41.464 42.059 0.075 0.000 0.899 285 L HN 1.094 nan 8.230 nan 0.000 0.433 286 T N -6.062 108.383 114.554 -0.182 0.000 3.129 286 T HA -0.015 4.335 4.350 -0.000 0.000 0.251 286 T C 1.609 176.247 174.700 -0.104 0.000 1.117 286 T CA 0.760 62.731 62.100 -0.215 0.000 1.034 286 T CB -0.686 67.927 68.868 -0.426 0.000 0.968 286 T HN 0.273 nan 8.240 nan 0.000 0.526 287 T N 2.096 116.614 114.554 -0.061 0.000 2.635 287 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 287 T C 2.199 176.944 174.700 0.075 0.000 1.040 287 T CA 1.866 63.985 62.100 0.032 0.000 1.156 287 T CB -0.702 68.210 68.868 0.073 0.000 0.863 287 T HN 0.550 nan 8.240 nan 0.000 0.430 288 S N -0.287 115.451 115.700 0.063 0.000 2.345 288 S HA -0.147 4.323 4.470 -0.000 0.000 0.220 288 S C 2.458 177.164 174.600 0.177 0.000 1.031 288 S CA 1.412 59.687 58.200 0.126 0.000 0.996 288 S CB -0.955 62.282 63.200 0.060 0.000 0.882 288 S HN 0.680 nan 8.310 nan 0.000 0.445 289 C N 1.329 120.689 119.300 0.100 0.000 2.432 289 C HA 0.090 4.550 4.460 -0.000 0.000 0.277 289 C C 2.834 177.912 174.990 0.146 0.000 1.249 289 C CA 1.178 60.268 59.018 0.121 0.000 1.725 289 C CB -1.817 25.942 27.740 0.032 0.000 2.028 289 C HN 0.707 nan 8.230 nan 0.000 0.477 290 G N 0.514 109.400 108.800 0.143 0.000 2.421 290 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 290 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 290 G C 1.530 176.528 174.900 0.163 0.000 1.171 290 G CA 1.103 46.288 45.100 0.141 0.000 0.775 290 G HN 0.597 nan 8.290 nan 0.000 0.543 291 N N 0.423 119.230 118.700 0.178 0.000 2.120 291 N HA -0.087 4.653 4.740 -0.000 0.000 0.188 291 N C 2.435 178.013 175.510 0.115 0.000 1.024 291 N CA 1.661 54.827 53.050 0.193 0.000 0.852 291 N CB -0.774 37.726 38.487 0.021 0.000 1.003 291 N HN 0.264 nan 8.380 nan 0.000 0.424 292 T N 1.903 116.534 114.554 0.127 0.000 2.652 292 T HA -0.051 4.299 4.350 -0.000 0.000 0.267 292 T C 2.168 176.957 174.700 0.149 0.000 1.039 292 T CA 0.836 63.020 62.100 0.140 0.000 1.153 292 T CB -0.433 68.591 68.868 0.261 0.000 0.863 292 T HN 0.134 nan 8.240 nan 0.000 0.428 293 L N 0.656 121.945 121.223 0.109 0.000 2.042 293 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 293 L C 2.944 179.899 176.870 0.142 0.000 1.076 293 L CA 1.273 56.154 54.840 0.068 0.000 0.749 293 L CB -1.049 41.006 42.059 -0.006 0.000 0.893 293 L HN 0.306 nan 8.230 nan 0.000 0.432 294 T N -1.489 113.174 114.554 0.181 0.000 2.777 294 T HA -0.222 4.128 4.350 -0.000 0.000 0.266 294 T C 2.004 176.892 174.700 0.313 0.000 1.040 294 T CA 1.454 63.692 62.100 0.230 0.000 1.141 294 T CB -0.425 68.616 68.868 0.288 0.000 0.868 294 T HN 0.478 nan 8.240 nan 0.000 0.444 295 C N 0.648 120.189 119.300 0.402 0.000 2.446 295 C HA -0.043 4.417 4.460 -0.000 0.000 0.277 295 C C 2.396 177.553 174.990 0.279 0.000 1.275 295 C CA 0.341 59.598 59.018 0.398 0.000 1.727 295 C CB -1.407 26.483 27.740 0.250 0.000 2.010 295 C HN 0.650 nan 8.230 nan 0.000 0.486 296 Y N 1.064 121.428 120.300 0.107 0.000 2.181 296 Y HA -0.093 4.457 4.550 -0.000 0.000 0.288 296 Y C 2.154 178.071 175.900 0.028 0.000 1.146 296 Y CA 2.061 60.200 58.100 0.065 0.000 1.164 296 Y CB -0.574 37.909 38.460 0.039 0.000 0.982 296 Y HN 0.324 nan 8.280 nan 0.000 0.515 297 L N 1.171 122.492 121.223 0.164 0.000 1.994 297 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 297 L C 2.131 178.914 176.870 -0.146 0.000 1.071 297 L CA 2.004 56.805 54.840 -0.065 0.000 0.745 297 L CB -0.990 40.978 42.059 -0.150 0.000 0.892 297 L HN 0.155 nan 8.230 nan 0.000 0.431 298 K N -0.454 119.930 120.400 -0.027 0.000 2.063 298 K HA -0.129 4.191 4.320 -0.000 0.000 0.208 298 K C 2.056 178.699 176.600 0.071 0.000 1.048 298 K CA 1.469 57.771 56.287 0.025 0.000 0.928 298 K CB -0.428 32.166 32.500 0.157 0.000 0.713 298 K HN 0.517 nan 8.250 nan 0.000 0.442 299 A N 0.904 123.752 122.820 0.047 0.000 1.898 299 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 299 A C 2.232 179.871 177.584 0.091 0.000 1.181 299 A CA 1.845 53.945 52.037 0.104 0.000 0.620 299 A CB -0.834 18.290 19.000 0.207 0.000 0.819 299 A HN 0.236 nan 8.150 nan 0.000 0.442 300 T N 0.354 114.833 114.554 -0.125 0.000 2.746 300 T HA -0.021 4.329 4.350 -0.000 0.000 0.267 300 T C 2.215 176.879 174.700 -0.060 0.000 1.039 300 T CA 1.593 63.580 62.100 -0.189 0.000 1.142 300 T CB -0.410 68.172 68.868 -0.476 0.000 0.866 300 T HN 0.575 nan 8.240 nan 0.000 0.444 301 A N 1.354 124.159 122.820 -0.025 0.000 1.898 301 A HA 0.243 4.563 4.320 -0.000 0.000 0.216 301 A C 2.614 180.289 177.584 0.152 0.000 1.181 301 A CA 1.649 53.735 52.037 0.083 0.000 0.620 301 A CB -1.005 18.051 19.000 0.093 0.000 0.819 301 A HN 0.495 nan 8.150 nan 0.000 0.442 302 A N -1.354 121.578 122.820 0.186 0.000 2.015 302 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 302 A C 2.220 179.846 177.584 0.069 0.000 1.163 302 A CA 1.512 53.523 52.037 -0.043 0.000 0.646 302 A CB -1.138 17.522 19.000 -0.567 0.000 0.806 302 A HN 0.569 nan 8.150 nan 0.000 0.448 303 C N -0.911 118.524 119.300 0.226 0.000 2.440 303 C HA -0.044 4.416 4.460 -0.000 0.000 0.278 303 C C 2.921 177.930 174.990 0.031 0.000 1.295 303 C CA 1.010 60.178 59.018 0.249 0.000 1.738 303 C CB -1.188 26.655 27.740 0.171 0.000 1.987 303 C HN 0.621 nan 8.230 nan 0.000 0.492 304 R N 0.889 121.317 120.500 -0.119 0.000 2.066 304 R HA -0.049 4.291 4.340 -0.000 0.000 0.232 304 R C 2.419 178.458 176.300 -0.436 0.000 1.131 304 R CA 1.497 57.390 56.100 -0.344 0.000 0.955 304 R CB -0.557 29.371 30.300 -0.620 0.000 0.851 304 R HN 0.499 nan 8.270 nan 0.000 0.432 305 A N 1.463 124.055 122.820 -0.379 0.000 1.908 305 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 305 A C 2.306 179.877 177.584 -0.023 0.000 1.181 305 A CA 1.855 53.833 52.037 -0.098 0.000 0.627 305 A CB -0.562 18.442 19.000 0.007 0.000 0.818 305 A HN 0.405 nan 8.150 nan 0.000 0.445 306 A N -1.629 121.190 122.820 -0.002 0.000 2.123 306 A HA 0.199 4.519 4.320 -0.000 0.000 0.214 306 A C 1.079 178.681 177.584 0.031 0.000 1.152 306 A CA 0.992 53.055 52.037 0.042 0.000 0.728 306 A CB -0.318 18.765 19.000 0.137 0.000 0.814 306 A HN 0.508 nan 8.150 nan 0.000 0.464 307 K N -1.224 119.181 120.400 0.008 0.000 3.167 307 K HA -0.147 4.173 4.320 -0.000 0.000 0.272 307 K C -0.638 175.972 176.600 0.016 0.000 1.137 307 K CA 0.402 56.692 56.287 0.005 0.000 0.800 307 K CB -2.187 30.321 32.500 0.013 0.000 1.253 307 K HN 0.518 nan 8.250 nan 0.000 0.497 308 L N 1.011 122.254 121.223 0.032 0.000 2.464 308 L HA 0.082 4.422 4.340 -0.000 0.000 0.264 308 L C 0.820 177.695 176.870 0.007 0.000 1.199 308 L CA 0.100 54.956 54.840 0.028 0.000 0.818 308 L CB 0.539 42.628 42.059 0.049 0.000 1.102 308 L HN 0.160 nan 8.230 nan 0.000 0.473 309 Q N 0.798 120.595 119.800 -0.005 0.000 2.293 309 Q HA 0.193 4.533 4.340 -0.000 0.000 0.261 309 Q C -0.665 175.316 176.000 -0.032 0.000 0.960 309 Q CA -0.582 55.211 55.803 -0.016 0.000 0.882 309 Q CB 1.380 30.107 28.738 -0.018 0.000 1.275 309 Q HN 0.485 nan 8.270 nan 0.000 0.445 310 D N 1.272 121.654 120.400 -0.030 0.000 2.737 310 D HA -0.189 4.451 4.640 -0.000 0.000 0.238 310 D C -1.395 174.875 176.300 -0.050 0.000 1.157 310 D CA 0.202 54.179 54.000 -0.038 0.000 0.694 310 D CB -0.763 40.007 40.800 -0.051 0.000 1.021 310 D HN 0.542 nan 8.370 nan 0.000 0.420 311 C N 2.030 121.306 119.300 -0.039 0.000 2.520 311 C HA 0.361 4.821 4.460 -0.000 0.000 0.369 311 C C 0.738 175.702 174.990 -0.042 0.000 1.244 311 C CA -0.151 58.835 59.018 -0.054 0.000 1.677 311 C CB -0.666 27.051 27.740 -0.038 0.000 2.324 311 C HN 0.414 nan 8.230 nan 0.000 0.557 312 T N 7.197 121.720 114.554 -0.051 0.000 2.749 312 T HA 0.380 4.730 4.350 -0.000 0.000 0.287 312 T C 0.161 174.873 174.700 0.019 0.000 0.970 312 T CA -0.428 61.681 62.100 0.014 0.000 0.980 312 T CB 0.653 69.520 68.868 -0.000 0.000 0.924 312 T HN 0.454 nan 8.240 nan 0.000 0.456 313 M N 3.202 122.853 119.600 0.085 0.000 2.342 313 M HA 0.521 5.001 4.480 -0.000 0.000 0.332 313 M C -0.590 175.830 176.300 0.200 0.000 1.166 313 M CA -1.262 54.089 55.300 0.085 0.000 1.086 313 M CB 0.989 33.643 32.600 0.090 0.000 1.541 313 M HN 0.391 nan 8.290 nan 0.000 0.462 314 L N 2.985 124.288 121.223 0.133 0.000 2.457 314 L HA 0.570 4.910 4.340 -0.000 0.000 0.266 314 L C -1.446 175.440 176.870 0.026 0.000 0.979 314 L CA -0.368 54.550 54.840 0.129 0.000 0.857 314 L CB 1.399 43.569 42.059 0.185 0.000 1.213 314 L HN 0.451 nan 8.230 nan 0.000 0.418 315 V N 3.981 123.895 119.914 -0.000 0.000 2.448 315 V HA 0.605 4.725 4.120 -0.000 0.000 0.295 315 V C -0.586 175.337 176.094 -0.286 0.000 1.025 315 V CA -0.605 61.661 62.300 -0.056 0.000 0.859 315 V CB 1.793 33.679 31.823 0.104 0.000 0.988 315 V HN 0.762 nan 8.190 nan 0.000 0.431 316 N N 3.674 122.116 118.700 -0.429 0.000 2.617 316 N HA 0.614 5.354 4.740 -0.000 0.000 0.263 316 N C 0.560 175.773 175.510 -0.495 0.000 1.074 316 N CA 0.612 53.063 53.050 -0.998 0.000 0.841 316 N CB 1.698 39.527 38.487 -1.097 0.000 1.221 316 N HN 1.072 nan 8.380 nan 0.000 0.529 317 G N 2.425 111.155 108.800 -0.116 0.000 2.596 317 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.304 317 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.304 317 G C 0.479 175.212 174.900 -0.279 0.000 1.189 317 G CA 0.781 45.882 45.100 0.001 0.000 0.986 317 G HN 0.610 nan 8.290 nan 0.000 0.548 318 D N 1.149 121.284 120.400 -0.442 0.000 2.340 318 D HA 0.131 4.771 4.640 -0.000 0.000 0.220 318 D C 0.433 176.580 176.300 -0.256 0.000 1.039 318 D CA 0.740 54.288 54.000 -0.754 0.000 0.866 318 D CB -0.084 40.139 40.800 -0.961 0.000 0.913 318 D HN 0.400 nan 8.370 nan 0.000 0.523 319 D N 0.699 120.993 120.400 -0.177 0.000 2.325 319 D HA 0.240 4.880 4.640 -0.000 0.000 0.251 319 D C -0.976 175.292 176.300 -0.053 0.000 1.196 319 D CA -0.449 53.496 54.000 -0.093 0.000 0.866 319 D CB 0.848 41.569 40.800 -0.132 0.000 1.101 319 D HN 0.062 nan 8.370 nan 0.000 0.476 320 L N 4.968 126.216 121.223 0.040 0.000 2.386 320 L HA 0.539 4.879 4.340 -0.000 0.000 0.271 320 L C -1.587 175.299 176.870 0.026 0.000 0.993 320 L CA -0.724 54.156 54.840 0.067 0.000 0.819 320 L CB 1.965 44.142 42.059 0.198 0.000 1.294 320 L HN 0.128 nan 8.230 nan 0.000 0.414 321 V N 5.805 125.687 119.914 -0.053 0.000 2.709 321 V HA 0.780 4.900 4.120 -0.000 0.000 0.308 321 V C -1.432 174.504 176.094 -0.263 0.000 1.062 321 V CA -0.360 61.849 62.300 -0.152 0.000 0.901 321 V CB 2.397 34.167 31.823 -0.088 0.000 1.003 321 V HN 0.581 nan 8.190 nan 0.000 0.425 322 V N 7.578 127.147 119.914 -0.576 0.000 2.588 322 V HA 0.610 4.730 4.120 -0.000 0.000 0.304 322 V C -0.415 175.396 176.094 -0.471 0.000 1.042 322 V CA -0.489 61.433 62.300 -0.630 0.000 0.877 322 V CB 1.799 32.887 31.823 -1.225 0.000 0.996 322 V HN 0.739 nan 8.190 nan 0.000 0.425 323 I N 4.700 125.126 120.570 -0.240 0.000 2.447 323 I HA 0.673 4.843 4.170 -0.000 0.000 0.287 323 I C -0.150 175.871 176.117 -0.160 0.000 1.023 323 I CA -0.255 60.960 61.300 -0.142 0.000 1.083 323 I CB 1.688 39.660 38.000 -0.047 0.000 1.245 323 I HN 0.888 nan 8.210 nan 0.000 0.434 324 C N 2.061 121.261 119.300 -0.167 0.000 3.321 324 C HA 0.671 5.131 4.460 -0.000 0.000 0.363 324 C C -0.273 174.618 174.990 -0.165 0.000 1.705 324 C CA -0.930 58.005 59.018 -0.140 0.000 1.298 324 C CB 1.301 28.993 27.740 -0.080 0.000 2.086 324 C HN 0.654 nan 8.230 nan 0.000 0.438 325 E N 1.312 121.443 120.200 -0.115 0.000 2.229 325 E HA 0.451 4.801 4.350 -0.000 0.000 0.283 325 E C 0.077 176.642 176.600 -0.059 0.000 1.030 325 E CA 0.441 56.778 56.400 -0.106 0.000 0.836 325 E CB 1.113 30.767 29.700 -0.078 0.000 1.068 325 E HN 0.755 nan 8.360 nan 0.000 0.401 326 S N 2.867 118.541 115.700 -0.044 0.000 2.562 326 S HA 0.356 4.826 4.470 -0.000 0.000 0.281 326 S C 0.379 174.991 174.600 0.020 0.000 1.333 326 S CA 0.240 58.461 58.200 0.035 0.000 1.052 326 S CB 0.608 63.876 63.200 0.114 0.000 0.884 326 S HN 0.576 nan 8.310 nan 0.000 0.506 327 A N 3.377 126.218 122.820 0.035 0.000 2.503 327 A HA 0.654 4.974 4.320 -0.000 0.000 0.263 327 A C 0.886 178.480 177.584 0.018 0.000 1.258 327 A CA 0.274 52.321 52.037 0.017 0.000 0.936 327 A CB -0.831 18.178 19.000 0.015 0.000 1.070 327 A HN 1.850 nan 8.150 nan 0.000 0.522 328 G N -1.852 106.964 108.800 0.026 0.000 2.570 328 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.686 328 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.686 328 G C 0.376 175.289 174.900 0.023 0.000 1.257 328 G CA -0.154 44.946 45.100 0.001 0.000 0.846 328 G HN 0.282 nan 8.290 nan 0.000 0.627 329 T N 0.569 115.107 114.554 -0.027 0.000 2.777 329 T HA -0.097 4.253 4.350 -0.000 0.000 0.266 329 T C 2.452 177.174 174.700 0.036 0.000 1.040 329 T CA 2.150 64.246 62.100 -0.007 0.000 1.141 329 T CB -0.179 68.622 68.868 -0.111 0.000 0.868 329 T HN 0.507 nan 8.240 nan 0.000 0.444 330 Q N 0.797 120.605 119.800 0.012 0.000 2.083 330 Q HA -0.034 4.306 4.340 -0.000 0.000 0.198 330 Q C 2.329 178.341 176.000 0.020 0.000 0.969 330 Q CA 1.186 56.998 55.803 0.014 0.000 0.838 330 Q CB -0.309 28.431 28.738 0.003 0.000 0.900 330 Q HN 0.547 nan 8.270 nan 0.000 0.436 331 E N 1.124 121.337 120.200 0.021 0.000 2.058 331 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 331 E C 1.699 178.317 176.600 0.029 0.000 0.997 331 E CA 1.331 57.743 56.400 0.021 0.000 0.801 331 E CB -0.141 29.570 29.700 0.019 0.000 0.746 331 E HN 0.280 nan 8.360 nan 0.000 0.450 332 D N 0.016 120.449 120.400 0.055 0.000 2.123 332 D HA -0.144 4.496 4.640 -0.000 0.000 0.196 332 D C 1.846 178.160 176.300 0.024 0.000 0.992 332 D CA 1.538 55.575 54.000 0.061 0.000 0.833 332 D CB -0.420 40.476 40.800 0.160 0.000 0.954 332 D HN 0.216 nan 8.370 nan 0.000 0.455 333 A N 0.903 123.746 122.820 0.038 0.000 1.902 333 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 333 A C 2.296 179.875 177.584 -0.008 0.000 1.181 333 A CA 2.323 54.367 52.037 0.011 0.000 0.623 333 A CB -0.688 18.327 19.000 0.025 0.000 0.818 333 A HN 0.247 nan 8.150 nan 0.000 0.443 334 A N -0.348 122.473 122.820 0.002 0.000 1.897 334 A HA 0.257 4.577 4.320 -0.000 0.000 0.215 334 A C 2.483 180.066 177.584 -0.002 0.000 1.181 334 A CA 1.828 53.865 52.037 -0.000 0.000 0.620 334 A CB -0.929 18.074 19.000 0.004 0.000 0.821 334 A HN 1.009 nan 8.150 nan 0.000 0.443 335 A N -0.494 122.325 122.820 -0.001 0.000 1.930 335 A HA 0.000 4.320 4.320 -0.000 0.000 0.217 335 A C 2.080 179.663 177.584 -0.002 0.000 1.175 335 A CA 1.651 53.692 52.037 0.007 0.000 0.627 335 A CB -0.548 18.459 19.000 0.012 0.000 0.815 335 A HN 0.672 nan 8.150 nan 0.000 0.443 336 L N -0.188 120.991 121.223 -0.073 0.000 2.141 336 L HA -0.061 4.279 4.340 -0.000 0.000 0.209 336 L C 2.293 179.136 176.870 -0.045 0.000 1.094 336 L CA 1.706 56.439 54.840 -0.179 0.000 0.763 336 L CB -0.575 41.267 42.059 -0.362 0.000 0.908 336 L HN 0.329 nan 8.230 nan 0.000 0.437 337 R N -0.756 119.731 120.500 -0.021 0.000 2.115 337 R HA -0.018 4.322 4.340 -0.000 0.000 0.230 337 R C 2.204 178.515 176.300 0.018 0.000 1.111 337 R CA 1.070 57.174 56.100 0.006 0.000 0.976 337 R CB -0.450 29.848 30.300 -0.003 0.000 0.870 337 R HN 0.505 nan 8.270 nan 0.000 0.445 338 A N 0.487 123.319 122.820 0.019 0.000 1.969 338 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 338 A C 1.872 179.459 177.584 0.005 0.000 1.169 338 A CA 0.830 52.870 52.037 0.006 0.000 0.635 338 A CB -0.499 18.508 19.000 0.012 0.000 0.810 338 A HN 0.375 nan 8.150 nan 0.000 0.445 339 F N 1.301 121.195 119.950 -0.094 0.000 2.113 339 F HA -0.135 4.392 4.527 -0.000 0.000 0.297 339 F C 2.397 178.123 175.800 -0.123 0.000 1.103 339 F CA 2.257 60.194 58.000 -0.106 0.000 1.248 339 F CB -0.555 38.381 39.000 -0.107 0.000 0.999 339 F HN 0.189 nan 8.300 nan 0.000 0.475 340 T N 0.300 114.902 114.554 0.081 0.000 2.746 340 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 340 T C 1.700 176.367 174.700 -0.056 0.000 1.039 340 T CA 1.819 63.975 62.100 0.092 0.000 1.142 340 T CB -0.361 68.638 68.868 0.219 0.000 0.866 340 T HN 0.409 nan 8.240 nan 0.000 0.444 341 E N 1.069 121.221 120.200 -0.079 0.000 2.110 341 E HA -0.068 4.282 4.350 -0.000 0.000 0.193 341 E C 2.563 179.024 176.600 -0.232 0.000 0.988 341 E CA 0.992 57.323 56.400 -0.115 0.000 0.804 341 E CB -0.211 29.437 29.700 -0.087 0.000 0.745 341 E HN 0.493 nan 8.360 nan 0.000 0.458 342 A N 1.312 123.930 122.820 -0.337 0.000 1.873 342 A HA -0.162 4.158 4.320 -0.000 0.000 0.215 342 A C 2.173 179.277 177.584 -0.800 0.000 1.186 342 A CA 1.159 52.839 52.037 -0.595 0.000 0.616 342 A CB -0.279 18.399 19.000 -0.536 0.000 0.823 342 A HN 0.099 nan 8.150 nan 0.000 0.442 343 M N -0.105 119.139 119.600 -0.593 0.000 2.159 343 M HA -0.113 4.367 4.480 -0.000 0.000 0.263 343 M C 2.174 178.385 176.300 -0.148 0.000 1.063 343 M CA 2.013 57.101 55.300 -0.353 0.000 1.110 343 M CB -1.957 30.364 32.600 -0.465 0.000 1.374 343 M HN 0.459 nan 8.290 nan 0.000 0.411 344 T N 0.276 114.748 114.554 -0.137 0.000 2.708 344 T HA -0.135 4.215 4.350 -0.000 0.000 0.266 344 T C 1.963 176.609 174.700 -0.090 0.000 1.037 344 T CA 1.242 63.305 62.100 -0.062 0.000 1.146 344 T CB -0.240 68.600 68.868 -0.046 0.000 0.865 344 T HN 0.395 nan 8.240 nan 0.000 0.435 345 R N 0.010 120.396 120.500 -0.190 0.000 2.120 345 R HA -0.064 4.276 4.340 -0.000 0.000 0.234 345 R C 1.877 178.153 176.300 -0.041 0.000 1.123 345 R CA 1.121 57.127 56.100 -0.155 0.000 0.975 345 R CB -0.326 29.824 30.300 -0.249 0.000 0.866 345 R HN 0.415 nan 8.270 nan 0.000 0.446 346 Y N 0.231 120.481 120.300 -0.084 0.000 2.578 346 Y HA 0.044 4.594 4.550 0.000 0.000 0.297 346 Y C 1.010 176.867 175.900 -0.072 0.000 1.176 346 Y CA -0.188 57.857 58.100 -0.092 0.000 1.315 346 Y CB -0.249 38.181 38.460 -0.050 0.000 1.031 346 Y HN -0.013 nan 8.280 nan 0.000 0.524 347 S N -0.534 115.216 115.700 0.084 0.000 3.929 347 S HA -0.119 4.351 4.470 -0.000 0.000 0.351 347 S C 0.014 174.630 174.600 0.027 0.000 1.021 347 S CA 0.473 58.701 58.200 0.046 0.000 1.049 347 S CB -1.454 61.761 63.200 0.026 0.000 0.872 347 S HN 0.651 nan 8.310 nan 0.000 0.479 348 A N 1.640 124.498 122.820 0.063 0.000 3.410 348 A HA 0.569 4.889 4.320 -0.000 0.000 0.276 348 A C -2.397 175.314 177.584 0.212 0.000 0.995 348 A CA -0.784 51.317 52.037 0.106 0.000 0.934 348 A CB 0.837 19.929 19.000 0.153 0.000 1.191 348 A HN 0.422 nan 8.150 nan 0.000 0.511 349 P HA 0.247 nan 4.420 nan 0.000 0.271 349 P C -2.818 174.542 177.300 0.101 0.000 1.216 349 P CA -0.860 62.302 63.100 0.103 0.000 0.776 349 P CB 0.547 32.240 31.700 -0.012 0.000 0.881 350 P HA 0.070 nan 4.420 nan 0.000 0.272 350 P C 0.631 177.862 177.300 -0.116 0.000 1.230 350 P CA 0.189 63.180 63.100 -0.182 0.000 0.788 350 P CB 0.686 32.280 31.700 -0.176 0.000 0.949 351 G N 1.329 110.048 108.800 -0.135 0.000 2.600 351 G HA2 0.064 4.024 3.960 -0.000 0.000 0.225 351 G HA3 0.064 4.024 3.960 -0.000 0.000 0.225 351 G C -0.319 174.534 174.900 -0.079 0.000 1.623 351 G CA -0.129 44.928 45.100 -0.072 0.000 0.903 351 G HN 0.536 nan 8.290 nan 0.000 0.574 352 D N 2.794 123.145 120.400 -0.081 0.000 2.308 352 D HA 0.315 4.955 4.640 -0.000 0.000 0.251 352 D C -2.498 173.749 176.300 -0.088 0.000 1.127 352 D CA -1.262 52.699 54.000 -0.065 0.000 0.876 352 D CB 1.262 42.035 40.800 -0.045 0.000 1.176 352 D HN 0.044 nan 8.370 nan 0.000 0.446 353 P HA 0.071 nan 4.420 nan 0.000 0.262 353 P C -2.291 174.987 177.300 -0.037 0.000 1.182 353 P CA -0.765 62.307 63.100 -0.047 0.000 0.761 353 P CB -0.335 31.350 31.700 -0.025 0.000 0.795 354 P HA 0.187 nan 4.420 nan 0.000 0.277 354 P C -0.677 176.606 177.300 -0.027 0.000 1.240 354 P CA -0.081 63.024 63.100 0.008 0.000 0.798 354 P CB 0.792 32.538 31.700 0.077 0.000 0.979 355 Q N 1.094 120.895 119.800 0.002 0.000 2.375 355 Q HA 0.495 4.835 4.340 -0.000 0.000 0.271 355 Q C -2.485 173.515 176.000 -0.001 0.000 1.074 355 Q CA -2.120 53.679 55.803 -0.006 0.000 0.808 355 Q CB 1.581 30.330 28.738 0.019 0.000 1.327 355 Q HN 0.317 nan 8.270 nan 0.000 0.441 356 P HA 0.236 nan 4.420 nan 0.000 0.278 356 P C -0.623 176.610 177.300 -0.112 0.000 1.238 356 P CA -0.210 62.844 63.100 -0.076 0.000 0.794 356 P CB 0.964 32.628 31.700 -0.060 0.000 0.955 357 E N 1.533 121.597 120.200 -0.227 0.000 2.288 357 E HA 0.253 4.603 4.350 -0.000 0.000 0.268 357 E C -0.659 175.743 176.600 -0.331 0.000 0.885 357 E CA -0.370 55.942 56.400 -0.147 0.000 0.767 357 E CB 1.522 31.210 29.700 -0.021 0.000 1.220 357 E HN 0.443 nan 8.360 nan 0.000 0.427 358 Y N -0.223 120.217 120.300 0.232 0.000 2.612 358 Y HA 0.212 4.762 4.550 0.000 0.000 0.250 358 Y C 0.072 176.211 175.900 0.398 0.000 1.175 358 Y CA -0.434 57.860 58.100 0.324 0.000 1.205 358 Y CB 1.055 39.616 38.460 0.169 0.000 1.201 358 Y HN 0.256 nan 8.280 nan 0.000 0.532 359 D N 0.109 120.653 120.400 0.240 0.000 2.788 359 D HA 0.131 4.771 4.640 -0.000 0.000 0.247 359 D C 0.464 176.441 176.300 -0.540 0.000 1.236 359 D CA -0.426 53.543 54.000 -0.051 0.000 0.898 359 D CB 1.849 42.647 40.800 -0.004 0.000 1.401 359 D HN 0.066 nan 8.370 nan 0.000 0.549 360 L N 4.113 124.606 121.223 -1.217 0.000 2.079 360 L HA -0.052 4.288 4.340 -0.000 0.000 0.210 360 L C 1.508 178.021 176.870 -0.595 0.000 1.081 360 L CA 1.991 56.042 54.840 -1.315 0.000 0.752 360 L CB -0.381 40.755 42.059 -1.538 0.000 0.896 360 L HN 0.550 nan 8.230 nan 0.000 0.433 361 E N -0.714 119.244 120.200 -0.403 0.000 2.338 361 E HA -0.146 4.204 4.350 -0.000 0.000 0.197 361 E C 2.054 178.554 176.600 -0.167 0.000 1.007 361 E CA 0.740 57.001 56.400 -0.231 0.000 0.849 361 E CB -0.177 29.434 29.700 -0.148 0.000 0.774 361 E HN 0.543 nan 8.360 nan 0.000 0.506 362 L N 0.776 121.899 121.223 -0.166 0.000 2.492 362 L HA 0.113 4.453 4.340 -0.000 0.000 0.223 362 L C 0.853 177.670 176.870 -0.089 0.000 1.132 362 L CA 0.045 54.827 54.840 -0.096 0.000 0.850 362 L CB 0.076 42.101 42.059 -0.056 0.000 0.966 362 L HN 0.048 nan 8.230 nan 0.000 0.454 363 I N -0.135 120.355 120.570 -0.133 0.000 2.395 363 I HA 0.082 4.252 4.170 -0.000 0.000 0.289 363 I C 0.104 176.176 176.117 -0.075 0.000 1.023 363 I CA 0.133 61.377 61.300 -0.094 0.000 1.350 363 I CB 1.340 39.268 38.000 -0.121 0.000 1.409 363 I HN -0.123 nan 8.210 nan 0.000 0.507 364 T N 4.984 119.515 114.554 -0.038 0.000 2.749 364 T HA 0.429 4.779 4.350 -0.000 0.000 0.287 364 T C -0.230 174.463 174.700 -0.012 0.000 0.970 364 T CA -0.578 61.508 62.100 -0.024 0.000 0.980 364 T CB 0.824 69.684 68.868 -0.014 0.000 0.924 364 T HN 0.726 nan 8.240 nan 0.000 0.456 365 S N 1.264 116.957 115.700 -0.013 0.000 2.548 365 S HA 0.422 4.892 4.470 -0.000 0.000 0.276 365 S C 0.228 174.828 174.600 -0.000 0.000 1.129 365 S CA -0.678 57.515 58.200 -0.012 0.000 0.931 365 S CB 0.764 63.945 63.200 -0.031 0.000 1.068 365 S HN 0.882 nan 8.310 nan 0.000 0.480 366 C N 2.426 121.721 119.300 -0.007 0.000 4.432 366 C HA -0.173 4.287 4.460 -0.000 0.000 0.294 366 C C 1.332 176.371 174.990 0.082 0.000 1.398 366 C CA 0.822 59.847 59.018 0.011 0.000 1.988 366 C CB -3.163 24.576 27.740 -0.001 0.000 1.251 366 C HN 1.825 nan 8.230 nan 0.000 0.791 367 S N -1.676 114.062 115.700 0.063 0.000 3.380 367 S HA -0.190 4.280 4.470 -0.000 0.000 0.300 367 S C 0.187 174.844 174.600 0.094 0.000 1.255 367 S CA 1.252 59.498 58.200 0.076 0.000 0.963 367 S CB -1.072 62.191 63.200 0.104 0.000 1.106 367 S HN 1.112 nan 8.310 nan 0.000 0.629 368 S N 1.778 117.536 115.700 0.097 0.000 2.599 368 S HA 0.755 5.225 4.470 -0.000 0.000 0.287 368 S C -0.509 174.114 174.600 0.038 0.000 1.105 368 S CA -1.012 57.261 58.200 0.121 0.000 0.899 368 S CB 1.768 65.110 63.200 0.237 0.000 1.100 368 S HN 0.548 nan 8.310 nan 0.000 0.482 369 N N -0.503 118.207 118.700 0.016 0.000 2.262 369 N HA 0.450 5.190 4.740 -0.000 0.000 0.295 369 N C -1.262 174.189 175.510 -0.097 0.000 1.161 369 N CA -0.615 52.403 53.050 -0.054 0.000 0.767 369 N CB 1.222 39.668 38.487 -0.067 0.000 1.499 369 N HN 0.334 nan 8.380 nan 0.000 0.476 370 V N 0.664 120.492 119.914 -0.143 0.000 2.637 370 V HA 0.296 4.416 4.120 -0.000 0.000 0.296 370 V C 0.622 176.588 176.094 -0.214 0.000 1.046 370 V CA 0.133 62.324 62.300 -0.181 0.000 1.066 370 V CB 0.794 32.507 31.823 -0.184 0.000 0.968 370 V HN 0.864 nan 8.190 nan 0.000 0.483 371 S N 3.175 118.649 115.700 -0.376 0.000 2.697 371 S HA 0.836 5.306 4.470 -0.000 0.000 0.289 371 S C -1.171 173.254 174.600 -0.292 0.000 1.149 371 S CA -0.530 57.463 58.200 -0.344 0.000 0.850 371 S CB 2.106 65.062 63.200 -0.407 0.000 1.151 371 S HN 0.424 nan 8.310 nan 0.000 0.491 372 V N 1.400 121.255 119.914 -0.099 0.000 2.656 372 V HA 0.942 5.062 4.120 -0.000 0.000 0.307 372 V C 0.177 176.223 176.094 -0.080 0.000 1.051 372 V CA -0.209 62.004 62.300 -0.145 0.000 0.893 372 V CB 1.016 32.669 31.823 -0.285 0.000 0.999 372 V HN 1.115 nan 8.190 nan 0.000 0.426 373 A N 3.132 125.774 122.820 -0.296 0.000 2.525 373 A HA 0.965 5.285 4.320 -0.000 0.000 0.291 373 A C -1.495 175.530 177.584 -0.931 0.000 1.268 373 A CA -0.564 51.138 52.037 -0.559 0.000 0.712 373 A CB 1.680 20.218 19.000 -0.771 0.000 1.320 373 A HN 0.925 nan 8.150 nan 0.000 0.456 374 H N 0.002 118.776 119.070 -0.494 0.000 2.690 374 H HA 0.507 5.063 4.556 0.000 0.000 0.368 374 H C -0.986 174.178 175.328 -0.273 0.000 1.150 374 H CA -0.374 55.436 56.048 -0.396 0.000 1.174 374 H CB 1.364 30.850 29.762 -0.460 0.000 1.684 374 H HN 0.799 nan 8.280 nan 0.000 0.538 375 D N 0.686 121.085 120.400 -0.001 0.000 2.423 375 D HA 0.246 4.886 4.640 -0.000 0.000 0.255 375 D C 1.171 177.607 176.300 0.227 0.000 1.174 375 D CA -0.463 53.588 54.000 0.085 0.000 1.008 375 D CB 0.583 41.397 40.800 0.024 0.000 1.101 375 D HN 0.546 nan 8.370 nan 0.000 0.516 376 A N -0.095 122.810 122.820 0.142 0.000 2.139 376 A HA -0.121 4.199 4.320 -0.000 0.000 0.221 376 A C 1.761 179.389 177.584 0.073 0.000 1.159 376 A CA 1.913 53.988 52.037 0.063 0.000 0.662 376 A CB -0.966 18.037 19.000 0.005 0.000 0.796 376 A HN 0.620 nan 8.150 nan 0.000 0.463 377 S N -2.648 113.106 115.700 0.090 0.000 2.572 377 S HA 0.426 4.896 4.470 -0.000 0.000 0.228 377 S C 1.274 175.924 174.600 0.084 0.000 0.963 377 S CA 0.924 59.164 58.200 0.067 0.000 0.939 377 S CB -0.160 63.067 63.200 0.044 0.000 0.804 377 S HN 1.867 nan 8.310 nan 0.000 0.480 378 G N 2.130 111.017 108.800 0.144 0.000 2.179 378 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.260 378 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.260 378 G C -0.040 174.942 174.900 0.138 0.000 0.977 378 G CA 0.401 45.572 45.100 0.118 0.000 0.641 378 G HN 0.940 nan 8.290 nan 0.000 0.533 379 K N 0.681 121.142 120.400 0.102 0.000 2.185 379 K HA 0.546 4.866 4.320 -0.000 0.000 0.271 379 K C 0.397 176.989 176.600 -0.012 0.000 1.013 379 K CA -0.820 55.505 56.287 0.064 0.000 0.943 379 K CB 0.868 33.384 32.500 0.027 0.000 0.998 379 K HN 0.256 nan 8.250 nan 0.000 0.468 380 R N 1.559 122.005 120.500 -0.090 0.000 2.537 380 R HA 0.182 4.522 4.340 -0.000 0.000 0.280 380 R C -0.690 175.398 176.300 -0.353 0.000 1.058 380 R CA -0.414 55.467 56.100 -0.366 0.000 1.057 380 R CB 0.941 31.015 30.300 -0.376 0.000 0.973 380 R HN 0.365 nan 8.270 nan 0.000 0.438 381 V N 4.566 124.214 119.914 -0.443 0.000 2.525 381 V HA 0.239 4.359 4.120 -0.000 0.000 0.299 381 V C -0.966 174.971 176.094 -0.262 0.000 1.034 381 V CA -0.895 61.249 62.300 -0.260 0.000 0.863 381 V CB 1.273 32.991 31.823 -0.175 0.000 0.999 381 V HN 0.576 nan 8.190 nan 0.000 0.423 382 Y N 5.208 125.509 120.300 0.002 0.000 2.301 382 Y HA 0.670 5.220 4.550 0.000 0.000 0.325 382 Y C 0.053 176.022 175.900 0.116 0.000 1.203 382 Y CA -0.154 57.947 58.100 0.001 0.000 1.255 382 Y CB 1.204 39.628 38.460 -0.060 0.000 1.232 382 Y HN 0.728 nan 8.280 nan 0.000 0.501 383 Y N -1.010 119.346 120.300 0.093 0.000 2.656 383 Y HA 0.681 5.231 4.550 -0.000 0.000 0.334 383 Y C -2.194 173.756 175.900 0.083 0.000 1.179 383 Y CA -2.083 56.053 58.100 0.059 0.000 1.050 383 Y CB 0.581 39.039 38.460 -0.003 0.000 1.308 383 Y HN 0.399 nan 8.280 nan 0.000 0.456 384 L N 2.227 123.493 121.223 0.072 0.000 2.334 384 L HA 0.768 5.108 4.340 -0.000 0.000 0.277 384 L C 0.247 177.286 176.870 0.281 0.000 1.075 384 L CA -0.423 54.454 54.840 0.062 0.000 0.804 384 L CB 1.766 43.892 42.059 0.111 0.000 1.174 384 L HN 0.972 nan 8.230 nan 0.000 0.438 385 T N 1.906 116.609 114.554 0.248 0.000 2.696 385 T HA 0.799 5.149 4.350 -0.000 0.000 0.291 385 T C -1.434 173.401 174.700 0.225 0.000 1.095 385 T CA -0.668 61.669 62.100 0.395 0.000 1.026 385 T CB 1.746 70.821 68.868 0.344 0.000 1.390 385 T HN 0.819 nan 8.240 nan 0.000 0.513 386 R N 0.455 121.001 120.500 0.076 0.000 2.728 386 R HA 0.448 4.788 4.340 -0.000 0.000 0.274 386 R C -1.532 174.571 176.300 -0.329 0.000 1.030 386 R CA -1.024 54.998 56.100 -0.131 0.000 0.876 386 R CB 0.338 30.506 30.300 -0.219 0.000 1.259 386 R HN 0.540 nan 8.270 nan 0.000 0.468 387 D N 1.686 121.904 120.400 -0.303 0.000 2.493 387 D HA 0.040 4.680 4.640 -0.000 0.000 0.240 387 D C -1.338 174.577 176.300 -0.641 0.000 1.142 387 D CA -1.141 52.634 54.000 -0.376 0.000 0.872 387 D CB 1.227 41.892 40.800 -0.225 0.000 1.173 387 D HN 0.338 nan 8.370 nan 0.000 0.467 388 P HA -0.005 nan 4.420 nan 0.000 0.249 388 P C 1.192 178.156 177.300 -0.560 0.000 1.229 388 P CA 0.156 62.583 63.100 -1.122 0.000 0.788 388 P CB 0.314 31.236 31.700 -1.298 0.000 1.072 389 T N 0.259 114.601 114.554 -0.353 0.000 2.570 389 T HA -0.167 4.183 4.350 -0.000 0.000 0.266 389 T C 1.784 176.400 174.700 -0.140 0.000 1.071 389 T CA 2.639 64.626 62.100 -0.187 0.000 1.172 389 T CB -1.255 67.548 68.868 -0.108 0.000 0.864 389 T HN 0.197 nan 8.240 nan 0.000 0.421 390 T N 2.193 116.668 114.554 -0.132 0.000 2.708 390 T HA -0.052 4.298 4.350 -0.000 0.000 0.266 390 T C -0.552 174.088 174.700 -0.099 0.000 1.037 390 T CA 1.244 63.286 62.100 -0.095 0.000 1.146 390 T CB -1.217 67.623 68.868 -0.046 0.000 0.865 390 T HN 0.341 nan 8.240 nan 0.000 0.435 391 P HA 0.003 nan 4.420 nan 0.000 0.215 391 P C 1.504 178.830 177.300 0.045 0.000 1.153 391 P CA 0.921 64.015 63.100 -0.009 0.000 0.853 391 P CB -0.199 31.479 31.700 -0.037 0.000 0.788 392 L N -1.350 119.848 121.223 -0.042 0.000 2.072 392 L HA -0.105 4.235 4.340 -0.000 0.000 0.205 392 L C 2.487 179.367 176.870 0.017 0.000 1.079 392 L CA 1.454 56.284 54.840 -0.017 0.000 0.752 392 L CB -1.294 40.713 42.059 -0.087 0.000 0.906 392 L HN -0.060 nan 8.230 nan 0.000 0.436 393 A N 0.474 123.297 122.820 0.005 0.000 1.908 393 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 393 A C 2.405 180.048 177.584 0.097 0.000 1.181 393 A CA 1.530 53.594 52.037 0.045 0.000 0.627 393 A CB -0.459 18.543 19.000 0.003 0.000 0.818 393 A HN 0.342 nan 8.150 nan 0.000 0.445 394 R N -0.618 119.918 120.500 0.060 0.000 2.092 394 R HA -0.006 4.334 4.340 -0.000 0.000 0.231 394 R C 2.486 178.949 176.300 0.272 0.000 1.119 394 R CA 1.063 57.234 56.100 0.118 0.000 0.970 394 R CB -0.473 29.846 30.300 0.032 0.000 0.864 394 R HN 0.503 nan 8.270 nan 0.000 0.440 395 A N 1.642 124.635 122.820 0.289 0.000 1.902 395 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 395 A C 2.420 180.192 177.584 0.315 0.000 1.181 395 A CA 1.712 54.019 52.037 0.450 0.000 0.623 395 A CB -0.621 18.628 19.000 0.414 0.000 0.818 395 A HN 0.381 nan 8.150 nan 0.000 0.443 396 A N -1.223 121.695 122.820 0.163 0.000 1.877 396 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 396 A C 2.112 179.807 177.584 0.186 0.000 1.186 396 A CA 1.491 53.596 52.037 0.114 0.000 0.620 396 A CB -0.961 18.088 19.000 0.081 0.000 0.822 396 A HN 0.836 nan 8.150 nan 0.000 0.443 397 W N 1.164 122.515 121.300 0.084 0.000 2.335 397 W HA -0.179 4.481 4.660 0.000 0.000 0.311 397 W C 1.623 178.214 176.519 0.119 0.000 1.213 397 W CA 2.080 59.474 57.345 0.082 0.000 1.274 397 W CB -0.416 29.070 29.460 0.044 0.000 1.148 397 W HN 0.573 nan 8.180 nan 0.000 0.498 398 E N -0.873 119.599 120.200 0.453 0.000 2.418 398 E HA -0.107 4.243 4.350 -0.000 0.000 0.197 398 E C 1.944 178.729 176.600 0.308 0.000 1.026 398 E CA 1.306 57.946 56.400 0.400 0.000 0.862 398 E CB -0.116 29.865 29.700 0.468 0.000 0.799 398 E HN 0.100 nan 8.360 nan 0.000 0.518 399 T N 0.420 115.132 114.554 0.264 0.000 2.851 399 T HA -0.028 4.322 4.350 -0.000 0.000 0.262 399 T C 1.960 176.717 174.700 0.094 0.000 1.043 399 T CA 1.078 63.299 62.100 0.201 0.000 1.140 399 T CB 0.014 68.998 68.868 0.194 0.000 0.872 399 T HN 0.242 nan 8.240 nan 0.000 0.446 400 A N 0.871 123.697 122.820 0.011 0.000 1.975 400 A HA 0.173 4.493 4.320 -0.000 0.000 0.215 400 A C 1.274 178.801 177.584 -0.094 0.000 1.170 400 A CA 0.610 52.598 52.037 -0.081 0.000 0.656 400 A CB 0.153 19.036 19.000 -0.194 0.000 0.821 400 A HN 0.103 nan 8.150 nan 0.000 0.449 401 R N 0.476 120.919 120.500 -0.094 0.000 2.343 401 R HA 0.217 4.557 4.340 -0.000 0.000 0.320 401 R C -0.909 175.477 176.300 0.143 0.000 0.956 401 R CA -0.556 55.532 56.100 -0.020 0.000 0.836 401 R CB 0.339 30.570 30.300 -0.114 0.000 1.151 401 R HN 0.570 nan 8.270 nan 0.000 0.450 402 H N 2.792 121.897 119.070 0.058 0.000 3.107 402 H HA 0.011 4.567 4.556 -0.000 0.000 0.301 402 H C -0.529 174.858 175.328 0.098 0.000 0.981 402 H CA 0.905 57.000 56.048 0.079 0.000 1.443 402 H CB 0.544 30.335 29.762 0.047 0.000 1.479 402 H HN 0.457 nan 8.280 nan 0.000 0.564 403 T N 4.223 118.638 114.554 -0.233 0.000 2.991 403 T HA 0.177 4.527 4.350 -0.000 0.000 0.347 403 T C -2.031 172.470 174.700 -0.333 0.000 1.122 403 T CA -1.904 60.103 62.100 -0.155 0.000 1.062 403 T CB 1.578 70.473 68.868 0.045 0.000 1.043 403 T HN 0.391 nan 8.240 nan 0.000 0.491 404 P HA -0.034 nan 4.420 nan 0.000 0.219 404 P C 0.243 177.368 177.300 -0.292 0.000 1.144 404 P CA 0.939 63.792 63.100 -0.412 0.000 0.806 404 P CB 0.105 31.499 31.700 -0.509 0.000 0.771 405 I N -1.317 119.136 120.570 -0.196 0.000 2.982 405 I HA 0.316 4.486 4.170 -0.000 0.000 0.312 405 I C 0.406 176.472 176.117 -0.085 0.000 1.041 405 I CA -0.978 60.262 61.300 -0.100 0.000 1.053 405 I CB 1.740 39.706 38.000 -0.057 0.000 1.248 405 I HN -0.102 nan 8.210 nan 0.000 0.471 406 N N -0.896 117.741 118.700 -0.106 0.000 2.823 406 N HA 0.353 5.093 4.740 -0.000 0.000 0.251 406 N C -0.513 174.888 175.510 -0.180 0.000 1.392 406 N CA -0.292 52.673 53.050 -0.141 0.000 0.864 406 N CB 1.584 39.867 38.487 -0.340 0.000 1.481 406 N HN 0.471 nan 8.380 nan 0.000 0.508 407 S N -1.063 114.557 115.700 -0.135 0.000 2.593 407 S HA 0.039 4.509 4.470 -0.000 0.000 0.235 407 S C 1.133 175.684 174.600 -0.082 0.000 1.059 407 S CA -0.208 57.940 58.200 -0.088 0.000 0.953 407 S CB -0.585 62.613 63.200 -0.003 0.000 0.897 407 S HN 0.753 nan 8.310 nan 0.000 0.507 408 W N 1.507 122.763 121.300 -0.073 0.000 2.363 408 W HA 0.025 4.685 4.660 0.000 0.000 0.296 408 W C 1.392 177.840 176.519 -0.118 0.000 1.212 408 W CA 0.401 57.679 57.345 -0.111 0.000 1.260 408 W CB -0.889 28.354 29.460 -0.363 0.000 1.131 408 W HN 0.373 nan 8.180 nan 0.000 0.530 409 L N 2.806 123.488 121.223 -0.901 0.000 2.072 409 L HA 0.165 4.505 4.340 -0.000 0.000 0.205 409 L C 2.676 179.404 176.870 -0.236 0.000 1.079 409 L CA 2.671 57.107 54.840 -0.673 0.000 0.752 409 L CB -1.386 40.044 42.059 -1.049 0.000 0.906 409 L HN 0.050 nan 8.230 nan 0.000 0.436 410 G N -0.790 107.869 108.800 -0.235 0.000 2.422 410 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.218 410 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.218 410 G C 1.513 176.360 174.900 -0.089 0.000 1.146 410 G CA 0.650 45.648 45.100 -0.170 0.000 0.769 410 G HN 0.405 nan 8.290 nan 0.000 0.547 411 N N 0.620 119.338 118.700 0.030 0.000 2.104 411 N HA -0.047 4.693 4.740 -0.000 0.000 0.190 411 N C 2.241 177.875 175.510 0.207 0.000 1.024 411 N CA 0.807 53.989 53.050 0.220 0.000 0.853 411 N CB -0.203 38.483 38.487 0.332 0.000 1.008 411 N HN 0.346 nan 8.380 nan 0.000 0.424 412 I N 0.639 121.305 120.570 0.159 0.000 2.315 412 I HA -0.194 3.976 4.170 -0.000 0.000 0.248 412 I C 1.958 178.099 176.117 0.040 0.000 1.117 412 I CA 0.690 62.062 61.300 0.119 0.000 1.404 412 I CB -0.060 38.082 38.000 0.237 0.000 1.071 412 I HN 0.060 nan 8.210 nan 0.000 0.419 413 I N -0.068 120.517 120.570 0.026 0.000 2.202 413 I HA -0.292 3.878 4.170 -0.000 0.000 0.242 413 I C 2.515 178.632 176.117 0.001 0.000 1.091 413 I CA 1.473 62.786 61.300 0.021 0.000 1.368 413 I CB -0.204 37.776 38.000 -0.033 0.000 1.058 413 I HN 0.167 nan 8.210 nan 0.000 0.410 414 M N -0.824 118.678 119.600 -0.162 0.000 2.175 414 M HA -0.175 4.305 4.480 -0.000 0.000 0.264 414 M C 0.909 176.915 176.300 -0.488 0.000 1.063 414 M CA 1.880 56.959 55.300 -0.369 0.000 1.119 414 M CB -0.063 32.182 32.600 -0.591 0.000 1.377 414 M HN 0.161 nan 8.290 nan 0.000 0.415 415 Y N -1.110 119.137 120.300 -0.089 0.000 2.720 415 Y HA 0.434 4.984 4.550 0.000 0.000 0.277 415 Y C 1.690 177.298 175.900 -0.486 0.000 1.144 415 Y CA -0.363 57.578 58.100 -0.264 0.000 1.221 415 Y CB -0.833 37.410 38.460 -0.361 0.000 1.163 415 Y HN 0.105 nan 8.280 nan 0.000 0.537 416 A N 0.975 123.551 122.820 -0.406 0.000 1.958 416 A HA -0.171 4.149 4.320 -0.000 0.000 0.221 416 A C -0.451 176.823 177.584 -0.516 0.000 1.178 416 A CA 1.758 53.523 52.037 -0.455 0.000 0.642 416 A CB -1.323 17.443 19.000 -0.389 0.000 0.816 416 A HN 0.281 nan 8.150 nan 0.000 0.453 417 P HA 0.043 nan 4.420 nan 0.000 0.236 417 P C 0.627 177.640 177.300 -0.478 0.000 1.177 417 P CA 1.040 63.823 63.100 -0.528 0.000 0.773 417 P CB -0.294 31.085 31.700 -0.534 0.000 0.878 418 T N -2.008 112.280 114.554 -0.443 0.000 2.926 418 T HA 0.049 4.399 4.350 -0.000 0.000 0.307 418 T C 1.158 175.489 174.700 -0.615 0.000 1.059 418 T CA -0.536 61.279 62.100 -0.474 0.000 1.122 418 T CB 0.484 68.865 68.868 -0.812 0.000 0.972 418 T HN -0.165 nan 8.240 nan 0.000 0.545 419 L N 3.185 123.968 121.223 -0.732 0.000 2.012 419 L HA 0.013 4.353 4.340 -0.000 0.000 0.210 419 L C 2.380 178.925 176.870 -0.542 0.000 1.073 419 L CA 1.782 56.113 54.840 -0.848 0.000 0.748 419 L CB -1.032 40.364 42.059 -1.105 0.000 0.891 419 L HN 0.938 nan 8.230 nan 0.000 0.431 420 W N -0.532 120.541 121.300 -0.379 0.000 2.418 420 W HA 0.044 4.704 4.660 -0.000 0.000 0.292 420 W C 2.014 178.379 176.519 -0.256 0.000 1.213 420 W CA 0.887 58.043 57.345 -0.316 0.000 1.283 420 W CB -1.480 27.826 29.460 -0.257 0.000 1.119 420 W HN 0.327 nan 8.180 nan 0.000 0.542 421 A N 1.857 124.155 122.820 -0.871 0.000 1.930 421 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 421 A C 2.255 179.659 177.584 -0.301 0.000 1.175 421 A CA 1.702 53.404 52.037 -0.559 0.000 0.627 421 A CB -0.708 17.844 19.000 -0.746 0.000 0.815 421 A HN 0.316 nan 8.150 nan 0.000 0.443 422 R N -0.883 119.371 120.500 -0.410 0.000 2.057 422 R HA 0.033 4.373 4.340 -0.000 0.000 0.229 422 R C 2.211 178.317 176.300 -0.324 0.000 1.136 422 R CA 1.744 57.630 56.100 -0.355 0.000 0.952 422 R CB -0.380 29.601 30.300 -0.533 0.000 0.848 422 R HN 0.509 nan 8.270 nan 0.000 0.430 423 M N -0.279 118.990 119.600 -0.552 0.000 2.288 423 M HA 0.005 4.485 4.480 -0.000 0.000 0.266 423 M C 1.824 178.035 176.300 -0.148 0.000 1.072 423 M CA 1.408 56.444 55.300 -0.440 0.000 1.132 423 M CB 0.118 32.380 32.600 -0.563 0.000 1.386 423 M HN 0.117 nan 8.290 nan 0.000 0.432 424 I N -0.726 119.605 120.570 -0.398 0.000 2.962 424 I HA -0.072 4.098 4.170 -0.000 0.000 0.246 424 I C 2.056 177.944 176.117 -0.381 0.000 1.091 424 I CA 0.291 61.071 61.300 -0.868 0.000 1.469 424 I CB -0.224 37.168 38.000 -1.012 0.000 1.324 424 I HN 0.099 nan 8.210 nan 0.000 0.461 425 L N 0.319 121.483 121.223 -0.098 0.000 1.989 425 L HA -0.234 4.106 4.340 -0.000 0.000 0.211 425 L C 2.696 179.809 176.870 0.404 0.000 1.071 425 L CA 1.738 56.697 54.840 0.199 0.000 0.749 425 L CB -0.494 41.757 42.059 0.319 0.000 0.890 425 L HN 0.279 nan 8.230 nan 0.000 0.431 426 M N -0.959 118.865 119.600 0.372 0.000 2.086 426 M HA -0.193 4.287 4.480 -0.000 0.000 0.261 426 M C 2.353 179.134 176.300 0.802 0.000 1.067 426 M CA 2.100 57.739 55.300 0.564 0.000 1.116 426 M CB -0.755 31.972 32.600 0.211 0.000 1.348 426 M HN 0.279 nan 8.290 nan 0.000 0.407 427 T N -1.091 113.903 114.554 0.733 0.000 2.652 427 T HA -0.247 4.103 4.350 -0.000 0.000 0.267 427 T C 1.622 176.620 174.700 0.495 0.000 1.039 427 T CA 2.070 64.564 62.100 0.657 0.000 1.153 427 T CB -0.615 68.677 68.868 0.707 0.000 0.863 427 T HN 0.466 nan 8.240 nan 0.000 0.428 428 H N 0.571 119.823 119.070 0.304 0.000 2.253 428 H HA -0.066 4.490 4.556 -0.000 0.000 0.296 428 H C 1.860 177.124 175.328 -0.107 0.000 1.074 428 H CA 1.784 57.881 56.048 0.081 0.000 1.263 428 H CB -0.644 28.978 29.762 -0.233 0.000 1.363 428 H HN 0.338 nan 8.280 nan 0.000 0.489 429 F N -0.901 119.061 119.950 0.021 0.000 2.234 429 F HA -0.056 4.471 4.527 0.000 0.000 0.299 429 F C 2.182 177.902 175.800 -0.135 0.000 1.087 429 F CA 0.735 58.557 58.000 -0.296 0.000 1.340 429 F CB -0.686 37.907 39.000 -0.678 0.000 1.031 429 F HN 0.156 nan 8.300 nan 0.000 0.500 430 F N -0.127 119.969 119.950 0.244 0.000 2.186 430 F HA -0.171 4.356 4.527 -0.000 0.000 0.299 430 F C 2.550 178.404 175.800 0.090 0.000 1.090 430 F CA 1.359 59.500 58.000 0.236 0.000 1.307 430 F CB -0.941 38.303 39.000 0.407 0.000 1.019 430 F HN -0.197 nan 8.300 nan 0.000 0.489 431 S N 0.442 116.243 115.700 0.169 0.000 2.356 431 S HA -0.181 4.289 4.470 -0.000 0.000 0.223 431 S C 2.143 176.729 174.600 -0.024 0.000 1.032 431 S CA 1.461 59.686 58.200 0.041 0.000 1.005 431 S CB -0.482 62.723 63.200 0.007 0.000 0.867 431 S HN 0.270 nan 8.310 nan 0.000 0.449 432 I N 1.089 121.596 120.570 -0.106 0.000 2.202 432 I HA -0.152 4.018 4.170 -0.000 0.000 0.242 432 I C 1.979 178.066 176.117 -0.050 0.000 1.091 432 I CA 1.051 62.278 61.300 -0.122 0.000 1.368 432 I CB -0.333 37.524 38.000 -0.238 0.000 1.058 432 I HN 0.203 nan 8.210 nan 0.000 0.410 433 L N 0.003 121.201 121.223 -0.041 0.000 2.141 433 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 433 L C 2.473 179.345 176.870 0.003 0.000 1.094 433 L CA 0.959 55.786 54.840 -0.021 0.000 0.763 433 L CB -0.354 41.656 42.059 -0.082 0.000 0.908 433 L HN 0.288 nan 8.230 nan 0.000 0.437 434 L N -0.346 120.891 121.223 0.024 0.000 2.056 434 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 434 L C 2.668 179.553 176.870 0.025 0.000 1.078 434 L CA 1.414 56.283 54.840 0.049 0.000 0.749 434 L CB -0.241 41.867 42.059 0.081 0.000 0.901 434 L HN 0.181 nan 8.230 nan 0.000 0.433 435 A N -1.035 121.790 122.820 0.008 0.000 1.969 435 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 435 A C 2.034 179.619 177.584 0.003 0.000 1.169 435 A CA 1.473 53.509 52.037 -0.001 0.000 0.635 435 A CB -0.360 18.631 19.000 -0.016 0.000 0.810 435 A HN 0.657 nan 8.150 nan 0.000 0.445 436 Q N -0.926 118.878 119.800 0.007 0.000 2.280 436 Q HA 0.083 4.423 4.340 -0.000 0.000 0.201 436 Q C -0.554 175.459 176.000 0.022 0.000 0.890 436 Q CA -0.105 55.707 55.803 0.014 0.000 0.947 436 Q CB 0.412 29.161 28.738 0.019 0.000 1.081 436 Q HN 0.482 nan 8.270 nan 0.000 0.502 437 E N 0.635 120.850 120.200 0.024 0.000 2.389 437 E HA -0.241 4.109 4.350 -0.000 0.000 0.243 437 E C -0.369 176.252 176.600 0.035 0.000 1.154 437 E CA 0.825 57.243 56.400 0.030 0.000 0.723 437 E CB -1.134 28.581 29.700 0.025 0.000 1.261 437 E HN 0.597 nan 8.360 nan 0.000 0.390 438 Q N -0.836 118.986 119.800 0.036 0.000 2.112 438 Q HA 0.249 4.589 4.340 -0.000 0.000 0.222 438 Q C 1.897 177.918 176.000 0.035 0.000 0.798 438 Q CA -0.229 55.600 55.803 0.044 0.000 1.060 438 Q CB 0.498 29.272 28.738 0.059 0.000 1.184 438 Q HN 0.251 nan 8.270 nan 0.000 0.475 439 L N -0.240 120.999 121.223 0.027 0.000 2.129 439 L HA -0.142 4.198 4.340 -0.000 0.000 0.212 439 L C 1.958 178.854 176.870 0.042 0.000 1.087 439 L CA 1.610 56.457 54.840 0.013 0.000 0.757 439 L CB -0.178 41.926 42.059 0.074 0.000 0.896 439 L HN 0.362 nan 8.230 nan 0.000 0.434 440 G N -0.735 108.096 108.800 0.052 0.000 3.042 440 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.212 440 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.212 440 G C 0.602 175.531 174.900 0.048 0.000 1.166 440 G CA -0.354 44.778 45.100 0.054 0.000 0.767 440 G HN 0.151 nan 8.290 nan 0.000 0.546 441 K N 1.644 122.074 120.400 0.051 0.000 2.349 441 K HA 0.540 4.860 4.320 -0.000 0.000 0.289 441 K C 0.507 177.139 176.600 0.054 0.000 1.064 441 K CA -0.518 55.802 56.287 0.055 0.000 0.947 441 K CB 0.607 33.146 32.500 0.066 0.000 1.007 441 K HN 0.020 nan 8.250 nan 0.000 0.478 442 A N 5.413 128.263 122.820 0.051 0.000 2.520 442 A HA 0.218 4.538 4.320 -0.000 0.000 0.245 442 A C -0.409 177.206 177.584 0.052 0.000 1.072 442 A CA -0.102 51.964 52.037 0.047 0.000 0.761 442 A CB -0.016 19.015 19.000 0.052 0.000 1.004 442 A HN 0.781 nan 8.150 nan 0.000 0.499 443 L N 2.004 123.244 121.223 0.027 0.000 2.334 443 L HA 0.341 4.681 4.340 -0.000 0.000 0.276 443 L C -0.616 176.267 176.870 0.022 0.000 1.014 443 L CA -0.918 53.924 54.840 0.003 0.000 0.815 443 L CB 1.777 43.783 42.059 -0.088 0.000 1.268 443 L HN 0.574 nan 8.230 nan 0.000 0.428 444 D N 1.817 122.244 120.400 0.046 0.000 2.453 444 D HA 0.170 4.810 4.640 -0.000 0.000 0.223 444 D C -0.662 175.658 176.300 0.032 0.000 1.183 444 D CA -0.099 53.963 54.000 0.103 0.000 0.933 444 D CB 0.567 41.481 40.800 0.190 0.000 1.038 444 D HN 0.354 nan 8.370 nan 0.000 0.513 445 C N 2.809 122.134 119.300 0.040 0.000 2.325 445 C HA 0.306 4.766 4.460 -0.000 0.000 0.347 445 C C 0.715 175.772 174.990 0.111 0.000 1.263 445 C CA -1.035 57.976 59.018 -0.012 0.000 1.806 445 C CB -0.159 27.549 27.740 -0.053 0.000 2.405 445 C HN 0.459 nan 8.230 nan 0.000 0.537 446 Q N 3.078 122.897 119.800 0.031 0.000 2.279 446 Q HA 0.590 4.930 4.340 -0.000 0.000 0.256 446 Q C -0.969 175.056 176.000 0.042 0.000 0.937 446 Q CA 0.452 56.297 55.803 0.069 0.000 0.933 446 Q CB 0.335 29.087 28.738 0.023 0.000 1.189 446 Q HN 0.755 nan 8.270 nan 0.000 0.417 447 I N 6.584 127.222 120.570 0.114 0.000 2.476 447 I HA 0.235 4.405 4.170 -0.000 0.000 0.281 447 I C -0.566 175.488 176.117 -0.105 0.000 1.040 447 I CA -0.620 60.610 61.300 -0.117 0.000 1.094 447 I CB 0.383 38.259 38.000 -0.206 0.000 1.219 447 I HN 0.920 nan 8.210 nan 0.000 0.450 448 Y N 3.950 124.210 120.300 -0.066 0.000 2.887 448 Y HA -0.395 4.155 4.550 -0.000 0.000 0.467 448 Y C 1.881 177.806 175.900 0.042 0.000 1.191 448 Y CA 0.798 58.828 58.100 -0.116 0.000 2.537 448 Y CB -1.169 36.976 38.460 -0.525 0.000 1.225 448 Y HN 0.581 nan 8.280 nan 0.000 0.630 449 G N 0.399 109.420 108.800 0.367 0.000 2.939 449 G HA2 0.457 4.417 3.960 -0.000 0.000 0.210 449 G HA3 0.457 4.417 3.960 -0.000 0.000 0.210 449 G C 0.283 175.317 174.900 0.224 0.000 1.160 449 G CA 0.567 45.827 45.100 0.266 0.000 0.770 449 G HN 0.764 nan 8.290 nan 0.000 0.543 450 A N -0.857 122.165 122.820 0.336 0.000 2.249 450 A HA 0.641 4.961 4.320 -0.000 0.000 0.281 450 A C -0.506 177.081 177.584 0.004 0.000 1.127 450 A CA -0.242 51.884 52.037 0.147 0.000 0.833 450 A CB 0.688 19.840 19.000 0.252 0.000 1.140 450 A HN 0.294 nan 8.150 nan 0.000 0.502 451 C N -1.083 118.022 119.300 -0.325 0.000 2.535 451 C HA 0.711 5.171 4.460 -0.000 0.000 0.319 451 C C -1.628 172.947 174.990 -0.692 0.000 1.171 451 C CA -0.494 58.380 59.018 -0.241 0.000 1.394 451 C CB 0.032 27.819 27.740 0.078 0.000 1.990 451 C HN 0.655 nan 8.230 nan 0.000 0.466 452 Y N 0.806 121.146 120.300 0.067 0.000 2.457 452 Y HA 0.534 5.084 4.550 -0.000 0.000 0.343 452 Y C 0.257 176.154 175.900 -0.004 0.000 0.994 452 Y CA -0.576 57.509 58.100 -0.026 0.000 1.031 452 Y CB 1.613 40.158 38.460 0.141 0.000 1.246 452 Y HN 0.518 nan 8.280 nan 0.000 0.449 453 S N 4.114 119.842 115.700 0.048 0.000 2.452 453 S HA 0.783 5.253 4.470 -0.000 0.000 0.284 453 S C -0.813 173.814 174.600 0.045 0.000 1.171 453 S CA -0.254 58.004 58.200 0.096 0.000 1.064 453 S CB -0.354 62.925 63.200 0.132 0.000 0.967 453 S HN 0.536 nan 8.310 nan 0.000 0.484 454 I N 3.592 124.185 120.570 0.039 0.000 2.656 454 I HA 0.351 4.520 4.170 -0.000 0.000 0.292 454 I C -0.502 175.622 176.117 0.012 0.000 1.144 454 I CA -0.720 60.588 61.300 0.013 0.000 1.038 454 I CB 2.412 40.425 38.000 0.021 0.000 1.244 454 I HN 0.499 nan 8.210 nan 0.000 0.420 455 E N 6.030 126.243 120.200 0.022 0.000 2.227 455 E HA 0.230 4.580 4.350 -0.000 0.000 0.282 455 E C -1.829 174.808 176.600 0.063 0.000 1.015 455 E CA -1.627 54.796 56.400 0.038 0.000 0.823 455 E CB 1.409 31.134 29.700 0.042 0.000 1.081 455 E HN 0.299 nan 8.360 nan 0.000 0.396 456 P HA -0.167 nan 4.420 nan 0.000 0.217 456 P C 1.025 178.472 177.300 0.245 0.000 1.148 456 P CA 1.105 64.275 63.100 0.116 0.000 0.828 456 P CB 0.215 31.882 31.700 -0.055 0.000 0.783 457 L N -0.819 120.515 121.223 0.184 0.000 2.362 457 L HA -0.115 4.224 4.340 -0.000 0.000 0.219 457 L C 1.279 178.242 176.870 0.156 0.000 1.134 457 L CA 1.129 56.097 54.840 0.214 0.000 0.807 457 L CB -0.595 41.552 42.059 0.146 0.000 0.927 457 L HN -0.036 nan 8.230 nan 0.000 0.447 458 D N -0.518 119.955 120.400 0.122 0.000 2.339 458 D HA 0.008 4.648 4.640 -0.000 0.000 0.217 458 D C 2.221 178.585 176.300 0.106 0.000 1.050 458 D CA 0.210 54.256 54.000 0.077 0.000 0.856 458 D CB 0.345 41.167 40.800 0.036 0.000 0.922 458 D HN 0.268 nan 8.370 nan 0.000 0.518 459 L N 1.051 122.381 121.223 0.179 0.000 2.051 459 L HA -0.185 4.155 4.340 -0.000 0.000 0.214 459 L C -0.512 176.468 176.870 0.185 0.000 1.076 459 L CA 1.701 56.667 54.840 0.211 0.000 0.758 459 L CB -1.214 41.036 42.059 0.318 0.000 0.890 459 L HN 0.064 nan 8.230 nan 0.000 0.433 460 P HA -0.181 nan 4.420 nan 0.000 0.215 460 P C 1.339 178.695 177.300 0.094 0.000 1.153 460 P CA 1.235 64.361 63.100 0.042 0.000 0.853 460 P CB 0.062 31.609 31.700 -0.255 0.000 0.788 461 Q N -0.837 118.973 119.800 0.018 0.000 2.079 461 Q HA -0.088 4.252 4.340 -0.000 0.000 0.200 461 Q C 2.199 178.260 176.000 0.100 0.000 0.974 461 Q CA 1.242 57.059 55.803 0.023 0.000 0.840 461 Q CB -0.910 27.819 28.738 -0.014 0.000 0.898 461 Q HN 0.245 nan 8.270 nan 0.000 0.430 462 I N 0.015 120.662 120.570 0.129 0.000 2.179 462 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 462 I C 2.007 178.254 176.117 0.216 0.000 1.088 462 I CA 1.210 62.623 61.300 0.189 0.000 1.357 462 I CB -0.240 37.889 38.000 0.215 0.000 1.051 462 I HN 0.204 nan 8.210 nan 0.000 0.409 463 I N 0.511 121.226 120.570 0.241 0.000 2.252 463 I HA -0.300 3.870 4.170 -0.000 0.000 0.245 463 I C 2.634 178.852 176.117 0.169 0.000 1.102 463 I CA 1.505 62.950 61.300 0.243 0.000 1.385 463 I CB -0.382 37.748 38.000 0.217 0.000 1.064 463 I HN 0.296 nan 8.210 nan 0.000 0.414 464 E N 1.087 121.436 120.200 0.248 0.000 2.118 464 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 464 E C 2.357 179.022 176.600 0.108 0.000 0.992 464 E CA 1.121 57.641 56.400 0.200 0.000 0.804 464 E CB 0.112 29.971 29.700 0.265 0.000 0.741 464 E HN 0.296 nan 8.360 nan 0.000 0.458 465 R N -0.164 120.401 120.500 0.109 0.000 2.073 465 R HA -0.061 4.279 4.340 -0.000 0.000 0.229 465 R C 2.334 178.688 176.300 0.089 0.000 1.120 465 R CA 0.670 56.822 56.100 0.086 0.000 0.967 465 R CB -0.450 29.916 30.300 0.110 0.000 0.862 465 R HN 0.257 nan 8.270 nan 0.000 0.436 466 L N -0.221 121.024 121.223 0.037 0.000 2.313 466 L HA -0.065 4.275 4.340 -0.000 0.000 0.214 466 L C 1.619 178.191 176.870 -0.496 0.000 1.119 466 L CA 1.519 56.232 54.840 -0.212 0.000 0.809 466 L CB -0.231 41.582 42.059 -0.410 0.000 0.933 466 L HN 0.251 nan 8.230 nan 0.000 0.449 467 H N -2.429 116.632 119.070 -0.014 0.000 3.794 467 H HA 0.471 5.027 4.556 0.000 0.000 0.258 467 H C 0.899 176.185 175.328 -0.070 0.000 1.120 467 H CA 0.595 56.605 56.048 -0.063 0.000 1.166 467 H CB 0.865 30.541 29.762 -0.144 0.000 1.517 467 H HN 0.091 nan 8.280 nan 0.000 0.615 468 G N 1.069 109.896 108.800 0.045 0.000 2.662 468 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.686 468 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.686 468 G C 0.461 175.346 174.900 -0.026 0.000 1.271 468 G CA -0.193 44.922 45.100 0.024 0.000 0.816 468 G HN 0.179 nan 8.290 nan 0.000 0.608 469 L N 1.015 122.278 121.223 0.066 0.000 2.362 469 L HA -0.063 4.277 4.340 -0.000 0.000 0.219 469 L C 3.113 180.029 176.870 0.076 0.000 1.134 469 L CA 2.038 56.990 54.840 0.187 0.000 0.807 469 L CB -0.311 41.899 42.059 0.252 0.000 0.927 469 L HN 0.929 nan 8.230 nan 0.000 0.447 470 S N -0.339 115.352 115.700 -0.015 0.000 2.442 470 S HA -0.147 4.322 4.470 -0.000 0.000 0.236 470 S C 2.079 176.577 174.600 -0.170 0.000 1.007 470 S CA 0.740 58.910 58.200 -0.050 0.000 0.965 470 S CB -0.295 62.872 63.200 -0.055 0.000 0.773 470 S HN 0.367 nan 8.310 nan 0.000 0.504 471 A N 0.653 123.264 122.820 -0.348 0.000 2.076 471 A HA 0.125 4.445 4.320 -0.000 0.000 0.220 471 A C 1.431 178.734 177.584 -0.468 0.000 1.160 471 A CA 1.042 52.771 52.037 -0.513 0.000 0.653 471 A CB -0.834 17.750 19.000 -0.692 0.000 0.801 471 A HN 0.623 nan 8.150 nan 0.000 0.455 472 F N -0.685 119.274 119.950 0.015 0.000 2.727 472 F HA 0.145 4.672 4.527 -0.000 0.000 0.302 472 F C 2.010 177.840 175.800 0.050 0.000 1.097 472 F CA 0.961 58.992 58.000 0.051 0.000 1.330 472 F CB -0.079 38.980 39.000 0.098 0.000 1.084 472 F HN 0.269 nan 8.300 nan 0.000 0.578 473 T N -3.338 111.294 114.554 0.130 0.000 3.058 473 T HA 0.304 4.654 4.350 -0.000 0.000 0.278 473 T C 0.463 175.220 174.700 0.094 0.000 0.974 473 T CA -0.035 62.134 62.100 0.115 0.000 0.893 473 T CB -0.369 68.556 68.868 0.095 0.000 1.138 473 T HN -0.059 nan 8.240 nan 0.000 0.529 474 L N 3.172 124.379 121.223 -0.027 0.000 2.506 474 L HA 0.378 4.718 4.340 -0.000 0.000 0.281 474 L C 0.725 177.549 176.870 -0.076 0.000 1.228 474 L CA 0.217 54.949 54.840 -0.181 0.000 0.850 474 L CB 0.051 41.810 42.059 -0.499 0.000 1.110 474 L HN 0.689 nan 8.230 nan 0.000 0.496 475 H N -2.036 116.836 119.070 -0.329 0.000 2.950 475 H HA 0.328 4.884 4.556 -0.000 0.000 0.272 475 H C -0.221 174.988 175.328 -0.198 0.000 1.495 475 H CA -0.677 55.261 56.048 -0.183 0.000 1.183 475 H CB 0.903 30.666 29.762 0.001 0.000 1.867 475 H HN 0.370 nan 8.280 nan 0.000 0.597 476 S N -0.609 115.009 115.700 -0.137 0.000 3.608 476 S HA -0.245 4.225 4.470 -0.000 0.000 0.382 476 S C -0.593 173.986 174.600 -0.036 0.000 0.945 476 S CA 0.555 58.702 58.200 -0.089 0.000 1.256 476 S CB -2.428 60.622 63.200 -0.250 0.000 0.913 476 S HN 0.485 nan 8.310 nan 0.000 0.518 477 Y N 1.838 122.147 120.300 0.015 0.000 2.385 477 Y HA 0.299 4.849 4.550 -0.000 0.000 0.346 477 Y C 1.414 177.349 175.900 0.057 0.000 1.270 477 Y CA 0.437 58.559 58.100 0.038 0.000 1.472 477 Y CB 0.413 38.893 38.460 0.034 0.000 1.354 477 Y HN 0.512 nan 8.280 nan 0.000 0.611 478 S N 1.059 116.901 115.700 0.238 0.000 2.601 478 S HA 0.230 4.700 4.470 -0.000 0.000 0.271 478 S C -2.082 172.589 174.600 0.118 0.000 1.305 478 S CA -1.188 57.094 58.200 0.137 0.000 1.022 478 S CB 1.460 64.717 63.200 0.094 0.000 0.940 478 S HN 0.399 nan 8.310 nan 0.000 0.525 479 P HA -0.034 nan 4.420 nan 0.000 0.215 479 P C 1.776 179.104 177.300 0.046 0.000 1.157 479 P CA 1.807 64.942 63.100 0.058 0.000 0.874 479 P CB -0.495 31.231 31.700 0.043 0.000 0.790 480 G N -0.235 108.589 108.800 0.040 0.000 2.440 480 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.218 480 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.218 480 G C 1.665 176.581 174.900 0.027 0.000 1.154 480 G CA 1.056 46.171 45.100 0.024 0.000 0.767 480 G HN 0.271 nan 8.290 nan 0.000 0.552 481 E N 0.672 120.906 120.200 0.056 0.000 2.047 481 E HA -0.046 4.304 4.350 -0.000 0.000 0.191 481 E C 2.434 179.055 176.600 0.036 0.000 0.987 481 E CA 0.820 57.261 56.400 0.069 0.000 0.799 481 E CB -0.427 29.368 29.700 0.160 0.000 0.752 481 E HN 0.485 nan 8.360 nan 0.000 0.449 482 I N 0.808 121.403 120.570 0.042 0.000 2.226 482 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 482 I C 1.897 178.015 176.117 0.002 0.000 1.100 482 I CA 1.049 62.356 61.300 0.013 0.000 1.374 482 I CB -0.397 37.627 38.000 0.039 0.000 1.057 482 I HN 0.152 nan 8.210 nan 0.000 0.413 483 N N 0.720 119.426 118.700 0.009 0.000 2.058 483 N HA -0.209 4.530 4.740 -0.000 0.000 0.191 483 N C 1.893 177.392 175.510 -0.018 0.000 1.037 483 N CA 1.284 54.334 53.050 0.000 0.000 0.848 483 N CB -0.403 38.086 38.487 0.004 0.000 1.021 483 N HN 0.268 nan 8.380 nan 0.000 0.422 484 R N 0.653 121.137 120.500 -0.027 0.000 2.073 484 R HA -0.057 4.283 4.340 -0.000 0.000 0.234 484 R C 1.893 178.141 176.300 -0.086 0.000 1.134 484 R CA 1.126 57.192 56.100 -0.058 0.000 0.952 484 R CB -0.364 29.895 30.300 -0.068 0.000 0.850 484 R HN -0.009 nan 8.270 nan 0.000 0.433 485 V N 1.146 121.011 119.914 -0.081 0.000 2.287 485 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 485 V C 2.499 178.551 176.094 -0.070 0.000 1.053 485 V CA 2.049 64.289 62.300 -0.099 0.000 1.027 485 V CB -0.876 30.910 31.823 -0.061 0.000 0.646 485 V HN 0.599 nan 8.190 nan 0.000 0.447 486 A N -0.239 122.558 122.820 -0.039 0.000 1.883 486 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 486 A C 2.600 180.174 177.584 -0.016 0.000 1.186 486 A CA 2.533 54.560 52.037 -0.016 0.000 0.624 486 A CB -0.960 18.038 19.000 -0.003 0.000 0.822 486 A HN 0.576 nan 8.150 nan 0.000 0.444 487 S N -1.130 114.556 115.700 -0.023 0.000 2.382 487 S HA -0.211 4.259 4.470 -0.000 0.000 0.228 487 S C 2.082 176.667 174.600 -0.024 0.000 1.027 487 S CA 1.697 59.886 58.200 -0.018 0.000 0.991 487 S CB -1.113 62.075 63.200 -0.021 0.000 0.823 487 S HN 0.824 nan 8.310 nan 0.000 0.469 488 C N 1.333 120.601 119.300 -0.054 0.000 2.440 488 C HA 0.126 4.586 4.460 -0.000 0.000 0.278 488 C C 2.538 177.502 174.990 -0.043 0.000 1.295 488 C CA 0.721 59.698 59.018 -0.068 0.000 1.738 488 C CB -1.720 25.936 27.740 -0.138 0.000 1.987 488 C HN 0.695 nan 8.230 nan 0.000 0.492 489 L N 0.447 121.649 121.223 -0.035 0.000 2.046 489 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 489 L C 3.043 179.913 176.870 -0.001 0.000 1.077 489 L CA 1.736 56.570 54.840 -0.010 0.000 0.747 489 L CB -0.942 41.130 42.059 0.022 0.000 0.896 489 L HN 0.371 nan 8.230 nan 0.000 0.432 490 R N 0.518 121.027 120.500 0.015 0.000 2.073 490 R HA -0.189 4.151 4.340 -0.000 0.000 0.234 490 R C 2.364 178.716 176.300 0.087 0.000 1.134 490 R CA 1.480 57.606 56.100 0.042 0.000 0.952 490 R CB -0.330 29.995 30.300 0.041 0.000 0.850 490 R HN 0.310 nan 8.270 nan 0.000 0.433 491 K N 1.264 121.705 120.400 0.068 0.000 2.063 491 K HA -0.136 4.184 4.320 -0.000 0.000 0.208 491 K C 1.750 178.470 176.600 0.199 0.000 1.048 491 K CA 1.368 57.720 56.287 0.109 0.000 0.928 491 K CB -0.024 32.507 32.500 0.052 0.000 0.713 491 K HN 0.159 nan 8.250 nan 0.000 0.442 492 L N -0.033 121.238 121.223 0.080 0.000 2.591 492 L HA 0.160 4.499 4.340 -0.000 0.000 0.228 492 L C 0.805 177.501 176.870 -0.291 0.000 1.133 492 L CA 0.370 55.233 54.840 0.038 0.000 0.880 492 L CB 0.216 42.272 42.059 -0.004 0.000 1.033 492 L HN 0.597 nan 8.230 nan 0.000 0.450 493 G N 0.945 109.432 108.800 -0.523 0.000 2.225 493 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.264 493 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.264 493 G C -0.068 174.656 174.900 -0.294 0.000 1.060 493 G CA 0.004 44.609 45.100 -0.825 0.000 0.833 493 G HN 0.097 nan 8.290 nan 0.000 0.498 494 V N 0.894 120.744 119.914 -0.106 0.000 2.509 494 V HA 0.426 4.545 4.120 -0.000 0.000 0.284 494 V C -1.200 174.965 176.094 0.119 0.000 1.047 494 V CA -1.593 60.743 62.300 0.060 0.000 0.952 494 V CB 1.595 33.478 31.823 0.100 0.000 0.988 494 V HN 0.185 nan 8.190 nan 0.000 0.469 495 P HA 0.092 nan 4.420 nan 0.000 0.266 495 P C -2.439 174.948 177.300 0.145 0.000 1.193 495 P CA -0.604 62.504 63.100 0.014 0.000 0.770 495 P CB -0.181 31.351 31.700 -0.279 0.000 0.836 496 P HA 0.051 nan 4.420 nan 0.000 0.272 496 P C 0.891 178.306 177.300 0.191 0.000 1.240 496 P CA -0.005 63.159 63.100 0.107 0.000 0.791 496 P CB 0.703 32.422 31.700 0.032 0.000 0.978 497 L N 0.576 121.924 121.223 0.208 0.000 2.127 497 L HA -0.217 4.123 4.340 -0.000 0.000 0.211 497 L C 2.882 179.828 176.870 0.126 0.000 1.089 497 L CA 1.782 56.766 54.840 0.240 0.000 0.757 497 L CB -0.893 41.239 42.059 0.120 0.000 0.899 497 L HN 0.471 nan 8.230 nan 0.000 0.434 498 R N -0.483 120.011 120.500 -0.010 0.000 2.105 498 R HA -0.146 4.194 4.340 -0.000 0.000 0.239 498 R C 1.948 177.954 176.300 -0.490 0.000 1.135 498 R CA 1.898 57.876 56.100 -0.203 0.000 0.967 498 R CB -1.297 28.893 30.300 -0.183 0.000 0.861 498 R HN 0.148 nan 8.270 nan 0.000 0.442 499 T N 0.416 114.778 114.554 -0.319 0.000 2.821 499 T HA -0.096 4.254 4.350 -0.000 0.000 0.267 499 T C 1.265 175.778 174.700 -0.312 0.000 1.046 499 T CA 1.542 63.422 62.100 -0.366 0.000 1.139 499 T CB -0.238 68.410 68.868 -0.366 0.000 0.871 499 T HN 0.444 nan 8.240 nan 0.000 0.454 500 W N 1.523 122.824 121.300 0.002 0.000 2.388 500 W HA 0.084 4.744 4.660 0.000 0.000 0.294 500 W C 2.730 179.382 176.519 0.222 0.000 1.212 500 W CA 0.186 57.601 57.345 0.115 0.000 1.271 500 W CB -0.184 29.345 29.460 0.115 0.000 1.126 500 W HN 0.045 nan 8.180 nan 0.000 0.535 501 R N -0.154 120.568 120.500 0.370 0.000 2.083 501 R HA -0.190 4.150 4.340 -0.000 0.000 0.237 501 R C 1.984 178.407 176.300 0.205 0.000 1.137 501 R CA 1.836 58.152 56.100 0.360 0.000 0.951 501 R CB -0.659 29.785 30.300 0.241 0.000 0.851 501 R HN 0.255 nan 8.270 nan 0.000 0.434 502 H N 0.240 119.365 119.070 0.091 0.000 2.321 502 H HA -0.060 4.496 4.556 -0.000 0.000 0.300 502 H C 2.227 177.544 175.328 -0.019 0.000 1.087 502 H CA 1.517 57.569 56.048 0.006 0.000 1.319 502 H CB -0.273 29.471 29.762 -0.030 0.000 1.379 502 H HN 0.222 nan 8.280 nan 0.000 0.501 503 R N 0.425 120.999 120.500 0.122 0.000 2.083 503 R HA -0.074 4.266 4.340 -0.000 0.000 0.237 503 R C 2.532 178.847 176.300 0.024 0.000 1.137 503 R CA 1.187 57.321 56.100 0.056 0.000 0.951 503 R CB -0.414 29.917 30.300 0.052 0.000 0.851 503 R HN 0.270 nan 8.270 nan 0.000 0.434 504 A N 1.474 124.343 122.820 0.081 0.000 1.902 504 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 504 A C 2.159 179.548 177.584 -0.325 0.000 1.181 504 A CA 1.366 53.310 52.037 -0.155 0.000 0.623 504 A CB -0.406 18.590 19.000 -0.007 0.000 0.818 504 A HN 0.231 nan 8.150 nan 0.000 0.443 505 R N -0.644 119.745 120.500 -0.186 0.000 2.105 505 R HA -0.110 4.230 4.340 -0.000 0.000 0.239 505 R C 2.650 178.859 176.300 -0.152 0.000 1.135 505 R CA 1.505 57.502 56.100 -0.171 0.000 0.967 505 R CB -0.360 29.889 30.300 -0.085 0.000 0.861 505 R HN 0.581 nan 8.270 nan 0.000 0.442 506 S N 0.074 115.703 115.700 -0.118 0.000 2.355 506 S HA -0.082 4.388 4.470 -0.000 0.000 0.222 506 S C 1.972 176.495 174.600 -0.129 0.000 1.031 506 S CA 1.177 59.317 58.200 -0.100 0.000 0.993 506 S CB -0.153 63.006 63.200 -0.067 0.000 0.859 506 S HN 0.214 nan 8.310 nan 0.000 0.453 507 V N 2.105 121.905 119.914 -0.190 0.000 2.515 507 V HA -0.023 4.097 4.120 -0.000 0.000 0.250 507 V C 2.603 178.538 176.094 -0.265 0.000 1.058 507 V CA 2.155 64.326 62.300 -0.214 0.000 1.064 507 V CB -0.699 30.983 31.823 -0.234 0.000 0.675 507 V HN 0.564 nan 8.190 nan 0.000 0.461 508 R N 0.048 120.319 120.500 -0.380 0.000 2.083 508 R HA -0.149 4.191 4.340 -0.000 0.000 0.237 508 R C 2.264 178.494 176.300 -0.118 0.000 1.137 508 R CA 1.879 57.823 56.100 -0.260 0.000 0.951 508 R CB -0.591 29.558 30.300 -0.252 0.000 0.851 508 R HN 0.544 nan 8.270 nan 0.000 0.434 509 A N 1.186 123.939 122.820 -0.112 0.000 1.902 509 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 509 A C 2.001 179.559 177.584 -0.043 0.000 1.181 509 A CA 1.702 53.698 52.037 -0.068 0.000 0.623 509 A CB -0.330 18.630 19.000 -0.066 0.000 0.818 509 A HN 0.381 nan 8.150 nan 0.000 0.443 510 K N -0.470 119.904 120.400 -0.044 0.000 2.097 510 K HA 0.004 4.324 4.320 -0.000 0.000 0.205 510 K C 1.845 178.452 176.600 0.012 0.000 1.050 510 K CA 1.244 57.522 56.287 -0.014 0.000 0.938 510 K CB -0.358 32.135 32.500 -0.012 0.000 0.718 510 K HN 0.455 nan 8.250 nan 0.000 0.442 511 L N 0.946 122.181 121.223 0.020 0.000 2.017 511 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 511 L C 2.330 179.229 176.870 0.050 0.000 1.073 511 L CA 1.124 56.005 54.840 0.068 0.000 0.745 511 L CB -0.462 41.662 42.059 0.108 0.000 0.894 511 L HN 0.166 nan 8.230 nan 0.000 0.432 512 L N -0.418 120.818 121.223 0.021 0.000 2.012 512 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 512 L C 2.906 179.783 176.870 0.013 0.000 1.073 512 L CA 1.708 56.556 54.840 0.013 0.000 0.748 512 L CB -0.779 41.276 42.059 -0.008 0.000 0.891 512 L HN 0.430 nan 8.230 nan 0.000 0.431 513 S N -0.464 115.240 115.700 0.006 0.000 2.419 513 S HA -0.248 4.222 4.470 -0.000 0.000 0.235 513 S C 1.746 176.355 174.600 0.015 0.000 1.019 513 S CA 1.134 59.338 58.200 0.006 0.000 0.982 513 S CB -0.381 62.818 63.200 -0.001 0.000 0.789 513 S HN 0.542 nan 8.310 nan 0.000 0.490 514 Q N 1.065 120.881 119.800 0.026 0.000 2.432 514 Q HA 0.300 4.640 4.340 -0.000 0.000 0.205 514 Q C 1.482 177.502 176.000 0.033 0.000 0.945 514 Q CA 0.152 55.974 55.803 0.032 0.000 0.924 514 Q CB -0.450 28.315 28.738 0.046 0.000 1.016 514 Q HN 0.736 nan 8.270 nan 0.000 0.503 515 G N 0.676 109.496 108.800 0.032 0.000 2.633 515 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.263 515 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.263 515 G C 0.512 175.437 174.900 0.042 0.000 1.310 515 G CA -0.117 45.002 45.100 0.032 0.000 0.914 515 G HN 0.783 nan 8.290 nan 0.000 0.569 516 G N -1.205 107.617 108.800 0.036 0.000 2.574 516 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.282 516 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.282 516 G C 1.122 176.051 174.900 0.048 0.000 1.257 516 G CA 1.402 46.525 45.100 0.038 0.000 0.956 516 G HN 1.435 nan 8.290 nan 0.000 0.560 517 R N 0.244 120.775 120.500 0.052 0.000 2.120 517 R HA 0.059 4.399 4.340 -0.000 0.000 0.234 517 R C 3.201 179.560 176.300 0.098 0.000 1.123 517 R CA 1.814 57.951 56.100 0.062 0.000 0.975 517 R CB -0.572 29.766 30.300 0.063 0.000 0.866 517 R HN 0.684 nan 8.270 nan 0.000 0.446 518 A N 1.516 124.403 122.820 0.111 0.000 1.883 518 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 518 A C 2.399 180.058 177.584 0.126 0.000 1.186 518 A CA 1.790 53.916 52.037 0.149 0.000 0.624 518 A CB -0.639 18.440 19.000 0.131 0.000 0.822 518 A HN 0.390 nan 8.150 nan 0.000 0.444 519 A N -0.322 122.551 122.820 0.087 0.000 1.972 519 A HA -0.051 4.269 4.320 -0.000 0.000 0.219 519 A C 2.070 179.704 177.584 0.083 0.000 1.169 519 A CA 1.442 53.521 52.037 0.070 0.000 0.635 519 A CB -0.599 18.430 19.000 0.048 0.000 0.810 519 A HN 0.524 nan 8.150 nan 0.000 0.446 520 I N -0.938 119.685 120.570 0.089 0.000 2.315 520 I HA -0.292 3.878 4.170 -0.000 0.000 0.248 520 I C 2.414 178.602 176.117 0.119 0.000 1.117 520 I CA 0.881 62.249 61.300 0.113 0.000 1.404 520 I CB -0.415 37.600 38.000 0.025 0.000 1.071 520 I HN 0.372 nan 8.210 nan 0.000 0.419 521 C N 0.810 120.162 119.300 0.085 0.000 2.453 521 C HA -0.076 4.384 4.460 -0.000 0.000 0.277 521 C C 3.022 178.049 174.990 0.061 0.000 1.262 521 C CA 1.065 60.103 59.018 0.035 0.000 1.718 521 C CB -1.651 26.164 27.740 0.124 0.000 2.031 521 C HN 0.659 nan 8.230 nan 0.000 0.480 522 G N 0.051 108.928 108.800 0.129 0.000 2.476 522 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.218 522 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.218 522 G C 1.754 176.696 174.900 0.071 0.000 1.164 522 G CA 1.033 46.223 45.100 0.149 0.000 0.768 522 G HN 0.608 nan 8.290 nan 0.000 0.560 523 R N -1.113 119.396 120.500 0.016 0.000 2.066 523 R HA -0.032 4.308 4.340 -0.000 0.000 0.232 523 R C 2.289 178.427 176.300 -0.270 0.000 1.131 523 R CA 1.304 57.336 56.100 -0.114 0.000 0.955 523 R CB -0.291 29.934 30.300 -0.124 0.000 0.851 523 R HN 0.454 nan 8.270 nan 0.000 0.432 524 Y N 0.386 120.519 120.300 -0.278 0.000 2.230 524 Y HA 0.045 4.595 4.550 0.000 0.000 0.294 524 Y C 2.149 177.812 175.900 -0.395 0.000 1.120 524 Y CA 0.748 58.527 58.100 -0.535 0.000 1.129 524 Y CB -0.240 37.590 38.460 -1.049 0.000 1.040 524 Y HN -0.058 nan 8.280 nan 0.000 0.519 525 L N -1.610 119.479 121.223 -0.224 0.000 2.141 525 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 525 L C 0.706 177.280 176.870 -0.494 0.000 1.094 525 L CA 1.422 56.036 54.840 -0.377 0.000 0.763 525 L CB -0.424 41.130 42.059 -0.842 0.000 0.908 525 L HN 0.178 nan 8.230 nan 0.000 0.437 526 F N -1.507 118.387 119.950 -0.093 0.000 2.735 526 F HA 0.194 4.721 4.527 0.000 0.000 0.304 526 F C 1.554 177.051 175.800 -0.507 0.000 1.119 526 F CA -0.397 57.360 58.000 -0.404 0.000 1.280 526 F CB -0.521 38.247 39.000 -0.387 0.000 0.994 526 F HN -0.090 nan 8.300 nan 0.000 0.520 527 N N 1.094 119.713 118.700 -0.135 0.000 2.309 527 N HA -0.178 4.562 4.740 -0.000 0.000 0.182 527 N C 2.016 177.495 175.510 -0.052 0.000 1.018 527 N CA 1.499 54.486 53.050 -0.105 0.000 0.876 527 N CB -0.184 38.260 38.487 -0.072 0.000 0.972 527 N HN 0.530 nan 8.380 nan 0.000 0.434 528 W N -0.205 121.136 121.300 0.069 0.000 2.364 528 W HA 0.019 4.679 4.660 -0.000 0.000 0.281 528 W C 1.245 177.819 176.519 0.092 0.000 1.219 528 W CA 0.765 58.156 57.345 0.078 0.000 1.220 528 W CB -0.913 28.606 29.460 0.098 0.000 1.127 528 W HN 0.043 nan 8.180 nan 0.000 0.556 529 A N 1.275 123.713 122.820 -0.637 0.000 2.238 529 A HA 0.272 4.592 4.320 -0.000 0.000 0.208 529 A C 0.857 178.317 177.584 -0.206 0.000 1.177 529 A CA 1.112 52.800 52.037 -0.582 0.000 0.804 529 A CB -0.816 17.547 19.000 -1.062 0.000 0.823 529 A HN 0.199 nan 8.150 nan 0.000 0.482 530 V N -5.382 114.452 119.914 -0.134 0.000 3.040 530 V HA 0.544 4.664 4.120 -0.000 0.000 0.312 530 V C 0.689 176.763 176.094 -0.034 0.000 1.115 530 V CA -1.082 61.173 62.300 -0.075 0.000 0.998 530 V CB 1.556 33.323 31.823 -0.094 0.000 1.042 530 V HN 0.255 nan 8.190 nan 0.000 0.433 531 R N 0.522 121.008 120.500 -0.024 0.000 2.048 531 R HA 0.083 4.423 4.340 -0.000 0.000 0.224 531 R C 0.924 177.206 176.300 -0.030 0.000 1.163 531 R CA 1.376 57.465 56.100 -0.018 0.000 0.956 531 R CB -0.585 29.708 30.300 -0.011 0.000 0.849 531 R HN 0.825 nan 8.270 nan 0.000 0.435 532 T N 4.309 118.843 114.554 -0.033 0.000 4.052 532 T HA 0.012 4.362 4.350 -0.000 0.000 0.215 532 T C 0.054 174.724 174.700 -0.049 0.000 0.914 532 T CA 0.480 62.558 62.100 -0.038 0.000 1.461 532 T CB -0.505 68.342 68.868 -0.036 0.000 1.233 532 T HN 0.101 nan 8.240 nan 0.000 0.829 533 K N 2.331 122.701 120.400 -0.050 0.000 2.485 533 K HA 0.178 4.498 4.320 -0.000 0.000 0.277 533 K C 0.347 176.903 176.600 -0.073 0.000 0.990 533 K CA -0.064 56.185 56.287 -0.064 0.000 0.994 533 K CB 0.797 33.263 32.500 -0.057 0.000 0.906 533 K HN 0.414 nan 8.250 nan 0.000 0.488 534 L N 2.143 123.306 121.223 -0.100 0.000 2.416 534 L HA 0.222 4.562 4.340 -0.000 0.000 0.262 534 L C 0.771 177.566 176.870 -0.125 0.000 1.093 534 L CA -0.830 53.945 54.840 -0.108 0.000 0.801 534 L CB 0.510 42.490 42.059 -0.131 0.000 1.191 534 L HN 0.404 nan 8.230 nan 0.000 0.459 535 K N 1.977 122.315 120.400 -0.103 0.000 2.412 535 K HA 0.155 4.475 4.320 -0.000 0.000 0.284 535 K C -0.877 175.634 176.600 -0.149 0.000 1.046 535 K CA -0.376 55.856 56.287 -0.091 0.000 0.999 535 K CB 0.549 33.020 32.500 -0.048 0.000 0.941 535 K HN 0.185 nan 8.250 nan 0.000 0.474 536 L N 4.075 125.217 121.223 -0.136 0.000 2.314 536 L HA 0.103 4.443 4.340 -0.000 0.000 0.275 536 L C 0.540 177.422 176.870 0.020 0.000 1.068 536 L CA 0.086 54.816 54.840 -0.183 0.000 0.894 536 L CB 0.505 42.453 42.059 -0.185 0.000 1.275 536 L HN 0.634 nan 8.230 nan 0.000 0.432 537 T N 1.085 115.698 114.554 0.098 0.000 2.943 537 T HA 0.678 5.028 4.350 -0.000 0.000 0.284 537 T C -2.568 172.271 174.700 0.232 0.000 1.015 537 T CA -2.248 59.938 62.100 0.144 0.000 1.042 537 T CB 1.397 70.323 68.868 0.097 0.000 1.055 537 T HN 0.139 nan 8.240 nan 0.000 0.500 538 P HA 0.208 nan 4.420 nan 0.000 0.264 538 P C -0.309 177.025 177.300 0.057 0.000 1.193 538 P CA -0.123 63.047 63.100 0.116 0.000 0.763 538 P CB 0.076 31.820 31.700 0.073 0.000 0.810 539 I N 5.422 125.965 120.570 -0.045 0.000 2.598 539 I HA 0.054 4.224 4.170 -0.000 0.000 0.284 539 I C -1.085 174.997 176.117 -0.058 0.000 1.140 539 I CA -1.470 59.752 61.300 -0.130 0.000 1.420 539 I CB -0.438 37.370 38.000 -0.320 0.000 1.387 539 I HN 0.343 nan 8.210 nan 0.000 0.553 546 D N 2.364 122.692 120.400 -0.120 0.000 2.423 546 D HA 0.041 4.681 4.640 -0.000 0.000 0.263 546 D C 1.429 177.615 176.300 -0.190 0.000 1.255 546 D CA 0.485 54.394 54.000 -0.151 0.000 0.965 546 D CB -0.172 40.510 40.800 -0.197 0.000 0.933 546 D HN 0.198 nan 8.370 nan 0.000 0.507 547 L N -0.473 120.693 121.223 -0.095 0.000 2.675 547 L HA -0.041 4.299 4.340 -0.000 0.000 0.238 547 L C 2.218 179.253 176.870 0.275 0.000 1.155 547 L CA 0.180 55.065 54.840 0.074 0.000 0.881 547 L CB -0.371 41.883 42.059 0.325 0.000 1.008 547 L HN 0.069 nan 8.230 nan 0.000 0.443 548 S N 1.168 116.914 115.700 0.076 0.000 2.348 548 S HA -0.139 4.331 4.470 -0.000 0.000 0.221 548 S C 2.055 176.685 174.600 0.050 0.000 1.033 548 S CA 1.544 59.797 58.200 0.089 0.000 1.010 548 S CB -0.246 62.962 63.200 0.013 0.000 0.891 548 S HN 0.531 nan 8.310 nan 0.000 0.442 549 G N -0.863 107.874 108.800 -0.105 0.000 2.527 549 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.219 549 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.219 549 G C 1.002 175.810 174.900 -0.153 0.000 1.117 549 G CA 0.724 45.621 45.100 -0.337 0.000 0.759 549 G HN 0.548 nan 8.290 nan 0.000 0.556 550 W N -0.702 120.510 121.300 -0.147 0.000 2.780 550 W HA 0.407 5.067 4.660 -0.000 0.000 0.272 550 W C 2.054 178.415 176.519 -0.263 0.000 1.116 550 W CA -0.329 56.888 57.345 -0.212 0.000 1.600 550 W CB -0.887 28.390 29.460 -0.304 0.000 1.086 550 W HN 0.165 nan 8.180 nan 0.000 0.584 551 F N 0.641 120.706 119.950 0.191 0.000 2.293 551 F HA -0.121 4.406 4.527 -0.000 0.000 0.297 551 F C 2.420 178.249 175.800 0.048 0.000 1.089 551 F CA 1.529 59.586 58.000 0.095 0.000 1.377 551 F CB -1.253 37.795 39.000 0.079 0.000 1.051 551 F HN -0.255 nan 8.300 nan 0.000 0.511 552 V N -0.964 119.065 119.914 0.192 0.000 2.343 552 V HA -0.069 4.051 4.120 -0.000 0.000 0.247 552 V C 1.741 177.872 176.094 0.062 0.000 1.051 552 V CA 2.080 64.444 62.300 0.106 0.000 1.036 552 V CB -0.806 31.060 31.823 0.072 0.000 0.654 552 V HN 0.180 nan 8.190 nan 0.000 0.451 553 A N -1.529 121.319 122.820 0.046 0.000 2.551 553 A HA 0.663 4.983 4.320 -0.000 0.000 0.252 553 A C 1.553 179.164 177.584 0.046 0.000 1.199 553 A CA 1.036 53.086 52.037 0.022 0.000 0.972 553 A CB -0.092 18.886 19.000 -0.037 0.000 1.153 553 A HN 1.822 nan 8.150 nan 0.000 0.559 554 G N -0.174 108.639 108.800 0.023 0.000 2.547 554 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.271 554 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.271 554 G C -0.065 174.868 174.900 0.054 0.000 1.209 554 G CA 0.365 45.459 45.100 -0.010 0.000 0.959 554 G HN 1.393 nan 8.290 nan 0.000 0.563 555 Y N 1.998 122.249 120.300 -0.082 0.000 2.454 555 Y HA 0.521 5.071 4.550 0.000 0.000 0.345 555 Y C 1.540 177.304 175.900 -0.227 0.000 0.970 555 Y CA 0.200 58.201 58.100 -0.165 0.000 1.204 555 Y CB 0.997 39.240 38.460 -0.360 0.000 1.122 555 Y HN 0.821 nan 8.280 nan 0.000 0.514 556 S N 3.091 118.494 115.700 -0.495 0.000 2.575 556 S HA 0.607 5.077 4.470 -0.000 0.000 0.215 556 S C 0.712 174.960 174.600 -0.588 0.000 0.966 556 S CA 0.126 58.088 58.200 -0.398 0.000 0.911 556 S CB -0.343 62.691 63.200 -0.277 0.000 0.780 556 S HN 1.307 nan 8.310 nan 0.000 0.514 557 G N -0.506 107.541 108.800 -1.255 0.000 2.355 557 G HA2 0.375 4.335 3.960 -0.000 0.000 0.619 557 G HA3 0.375 4.335 3.960 -0.000 0.000 0.619 557 G C -0.207 174.339 174.900 -0.591 0.000 1.337 557 G CA -0.634 43.942 45.100 -0.873 0.000 0.993 557 G HN 0.737 nan 8.290 nan 0.000 0.599 558 G N -1.665 107.059 108.800 -0.127 0.000 2.562 558 G HA2 0.573 4.533 3.960 -0.000 0.000 0.275 558 G HA3 0.573 4.533 3.960 -0.000 0.000 0.275 558 G C 0.489 175.383 174.900 -0.009 0.000 1.196 558 G CA 1.402 46.525 45.100 0.038 0.000 0.908 558 G HN 1.937 nan 8.290 nan 0.000 0.524 559 D N -2.076 118.325 120.400 0.002 0.000 2.870 559 D HA -0.169 4.471 4.640 -0.000 0.000 0.228 559 D C -0.054 176.213 176.300 -0.054 0.000 1.147 559 D CA 0.572 54.558 54.000 -0.024 0.000 0.757 559 D CB -1.043 39.752 40.800 -0.010 0.000 1.091 559 D HN 0.170 nan 8.370 nan 0.000 0.429 560 I N 0.924 121.439 120.570 -0.091 0.000 2.509 560 I HA 0.346 4.516 4.170 -0.000 0.000 0.293 560 I C -0.196 175.761 176.117 -0.266 0.000 1.020 560 I CA -0.843 60.347 61.300 -0.183 0.000 1.088 560 I CB 1.459 39.355 38.000 -0.174 0.000 1.267 560 I HN 0.007 nan 8.210 nan 0.000 0.430 561 Y N 5.870 125.883 120.300 -0.478 0.000 2.364 561 Y HA 0.520 5.070 4.550 -0.000 0.000 0.340 561 Y C -0.812 174.734 175.900 -0.590 0.000 0.975 561 Y CA -0.347 57.476 58.100 -0.462 0.000 1.089 561 Y CB 0.965 39.252 38.460 -0.287 0.000 1.192 561 Y HN 0.452 nan 8.280 nan 0.000 0.454 562 H N 3.360 121.865 119.070 -0.942 0.000 2.679 562 H HA 0.455 5.011 4.556 -0.000 0.000 0.360 562 H C -0.662 174.187 175.328 -0.799 0.000 1.105 562 H CA -0.571 55.089 56.048 -0.648 0.000 1.196 562 H CB 2.124 31.745 29.762 -0.236 0.000 1.636 562 H HN 0.732 nan 8.280 nan 0.000 0.531 563 S N 0.000 115.471 115.700 -0.382 0.000 2.498 563 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 563 S CA 0.000 58.054 58.200 -0.244 0.000 1.107 563 S CB 0.000 63.154 63.200 -0.076 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517