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 3cso_1_B 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 XGGRKPARLI 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 SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFTLHSYSPG EINRVASCLR KLGVPPLRTW DATA SEQUENCE RHRARSVRAK LLSQGGRAAT CGRYLFNWAV RTKLKLTPIP AASQLDLSGW 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 0.000 174.567 174.600 -0.056 0.000 1.055 1 S CA 0.000 58.176 58.200 -0.040 0.000 1.107 1 S CB 0.000 63.170 63.200 -0.050 0.000 0.593 2 M N 3.405 122.962 119.600 -0.071 0.000 2.249 2 M HA 0.347 4.827 4.480 -0.000 0.000 0.351 2 M C 1.813 177.998 176.300 -0.192 0.000 1.180 2 M CA -0.304 54.937 55.300 -0.098 0.000 1.127 2 M CB 1.093 33.655 32.600 -0.063 0.000 1.546 2 M HN 1.047 nan 8.290 nan 0.000 0.461 3 S N 2.030 117.559 115.700 -0.286 0.000 2.402 3 S HA -0.037 4.433 4.470 -0.000 0.000 0.229 3 S C 0.136 174.342 174.600 -0.657 0.000 1.021 3 S CA 0.830 58.763 58.200 -0.445 0.000 0.974 3 S CB -0.135 62.756 63.200 -0.516 0.000 0.800 3 S HN 0.640 nan 8.310 nan 0.000 0.484 4 Y N 0.029 120.163 120.300 -0.278 0.000 2.553 4 Y HA 0.591 5.141 4.550 -0.000 0.000 0.347 4 Y C -0.097 175.485 175.900 -0.530 0.000 1.019 4 Y CA -0.956 56.843 58.100 -0.501 0.000 1.032 4 Y CB 2.184 40.201 38.460 -0.739 0.000 1.284 4 Y HN -0.132 nan 8.280 nan 0.000 0.466 5 T N 1.421 115.696 114.554 -0.464 0.000 2.863 5 T HA 0.438 4.788 4.350 -0.000 0.000 0.285 5 T C -1.582 172.835 174.700 -0.472 0.000 1.009 5 T CA -0.792 61.105 62.100 -0.338 0.000 0.989 5 T CB 0.707 69.505 68.868 -0.117 0.000 1.004 5 T HN 0.466 nan 8.240 nan 0.000 0.455 6 W N 1.319 122.680 121.300 0.101 0.000 2.683 6 W HA 0.356 5.016 4.660 -0.000 0.000 0.329 6 W C 1.466 178.018 176.519 0.055 0.000 1.037 6 W CA -0.967 56.424 57.345 0.076 0.000 1.232 6 W CB 1.128 30.619 29.460 0.052 0.000 1.390 6 W HN 0.812 nan 8.180 nan 0.000 0.465 7 T N -1.428 113.291 114.554 0.275 0.000 2.995 7 T HA 0.210 4.560 4.350 -0.000 0.000 0.269 7 T C 1.571 176.358 174.700 0.146 0.000 1.091 7 T CA 1.242 63.443 62.100 0.167 0.000 1.128 7 T CB -0.111 68.835 68.868 0.130 0.000 0.891 7 T HN 1.168 nan 8.240 nan 0.000 0.492 8 G N 1.172 110.074 108.800 0.170 0.000 2.259 8 G HA2 0.017 3.976 3.960 -0.000 0.000 0.217 8 G HA3 0.017 3.976 3.960 -0.000 0.000 0.217 8 G C 0.398 175.334 174.900 0.060 0.000 1.001 8 G CA -0.140 45.016 45.100 0.092 0.000 0.627 8 G HN 1.170 nan 8.290 nan 0.000 0.501 9 A N 0.858 123.726 122.820 0.078 0.000 2.531 9 A HA 0.586 4.906 4.320 -0.000 0.000 0.236 9 A C 0.646 178.252 177.584 0.037 0.000 1.062 9 A CA 0.424 52.494 52.037 0.055 0.000 0.760 9 A CB 0.185 19.224 19.000 0.065 0.000 0.995 9 A HN 0.964 nan 8.150 nan 0.000 0.501 10 L N 2.040 123.267 121.223 0.007 0.000 2.453 10 L HA 0.169 4.509 4.340 -0.000 0.000 0.261 10 L C 0.545 177.404 176.870 -0.018 0.000 1.179 10 L CA -0.127 54.696 54.840 -0.027 0.000 0.813 10 L CB 0.331 42.374 42.059 -0.025 0.000 1.110 10 L HN 0.497 nan 8.230 nan 0.000 0.466 11 I N 1.370 121.907 120.570 -0.056 0.000 2.372 11 I HA 0.072 4.242 4.170 -0.000 0.000 0.298 11 I C 0.600 176.711 176.117 -0.010 0.000 1.137 11 I CA 0.009 61.291 61.300 -0.030 0.000 1.314 11 I CB -0.907 37.054 38.000 -0.066 0.000 1.444 11 I HN 0.639 nan 8.210 nan 0.000 0.541 12 T N 6.042 120.602 114.554 0.009 0.000 2.922 12 T HA 0.615 4.965 4.350 -0.000 0.000 0.285 12 T C -2.334 172.383 174.700 0.030 0.000 1.005 12 T CA -1.592 60.518 62.100 0.015 0.000 1.061 12 T CB 1.864 70.741 68.868 0.015 0.000 1.007 12 T HN 0.322 nan 8.240 nan 0.000 0.502 13 P HA 0.372 nan 4.420 nan 0.000 0.283 13 P C 0.165 177.490 177.300 0.041 0.000 1.278 13 P CA -0.872 62.254 63.100 0.044 0.000 0.834 13 P CB 0.913 32.638 31.700 0.043 0.000 1.150 14 C N -1.773 117.555 119.300 0.047 0.000 3.115 14 C HA 0.867 5.327 4.460 -0.000 0.000 0.277 14 C C 0.440 175.452 174.990 0.037 0.000 1.460 14 C CA -0.611 58.431 59.018 0.039 0.000 1.789 14 C CB -0.941 26.826 27.740 0.044 0.000 2.674 14 C HN 0.662 nan 8.230 nan 0.000 0.582 15 A N 0.519 123.363 122.820 0.041 0.000 2.609 15 A HA 0.871 5.191 4.320 -0.000 0.000 0.291 15 A C -0.230 177.381 177.584 0.045 0.000 1.096 15 A CA 0.183 52.244 52.037 0.040 0.000 0.684 15 A CB 0.118 19.144 19.000 0.043 0.000 1.282 15 A HN 1.341 nan 8.150 nan 0.000 0.412 16 A N 0.195 123.041 122.820 0.044 0.000 2.466 16 A HA 0.536 4.856 4.320 -0.000 0.000 0.238 16 A C 0.011 177.637 177.584 0.069 0.000 1.074 16 A CA 0.329 52.396 52.037 0.050 0.000 0.774 16 A CB -0.056 18.971 19.000 0.045 0.000 1.015 16 A HN 0.684 nan 8.150 nan 0.000 0.498 17 E N 1.058 121.305 120.200 0.079 0.000 2.216 17 E HA 0.235 4.585 4.350 -0.000 0.000 0.260 17 E C -1.097 175.587 176.600 0.139 0.000 0.880 17 E CA -0.677 55.786 56.400 0.105 0.000 0.765 17 E CB 1.385 31.138 29.700 0.089 0.000 1.174 17 E HN 0.607 nan 8.360 nan 0.000 0.417 18 E N 1.527 121.847 120.200 0.200 0.000 2.290 18 E HA 0.048 4.398 4.350 -0.000 0.000 0.277 18 E C 0.488 177.313 176.600 0.374 0.000 1.035 18 E CA 0.108 56.675 56.400 0.278 0.000 0.873 18 E CB 1.480 31.378 29.700 0.329 0.000 1.029 18 E HN 0.596 nan 8.360 nan 0.000 0.419 19 S N 2.584 118.483 115.700 0.331 0.000 2.564 19 S HA 0.140 4.610 4.470 -0.000 0.000 0.231 19 S C 0.689 175.567 174.600 0.463 0.000 1.067 19 S CA -0.027 58.374 58.200 0.335 0.000 0.908 19 S CB 0.557 63.888 63.200 0.217 0.000 0.809 19 S HN 0.185 nan 8.310 nan 0.000 0.491 20 K N 0.533 121.152 120.400 0.366 0.000 2.106 20 K HA 0.525 4.845 4.320 -0.000 0.000 0.246 20 K C -1.060 175.641 176.600 0.168 0.000 0.987 20 K CA -0.890 55.580 56.287 0.306 0.000 0.904 20 K CB 0.678 33.267 32.500 0.148 0.000 1.071 20 K HN 0.062 nan 8.250 nan 0.000 0.453 21 L N 3.280 124.543 121.223 0.068 0.000 2.397 21 L HA 0.246 4.586 4.340 -0.000 0.000 0.271 21 L C -2.161 174.578 176.870 -0.218 0.000 1.148 21 L CA -1.853 52.850 54.840 -0.229 0.000 0.825 21 L CB 0.133 42.180 42.059 -0.019 0.000 1.117 21 L HN 0.498 nan 8.230 nan 0.000 0.456 22 P HA 0.122 nan 4.420 nan 0.000 0.276 22 P C -0.392 176.812 177.300 -0.161 0.000 1.230 22 P CA -0.381 62.604 63.100 -0.193 0.000 0.776 22 P CB 0.402 31.983 31.700 -0.197 0.000 0.888 23 I N 0.103 120.590 120.570 -0.138 0.000 2.453 23 I HA 0.252 4.421 4.170 -0.000 0.000 0.300 23 I C -0.739 175.319 176.117 -0.098 0.000 1.159 23 I CA 0.320 61.533 61.300 -0.145 0.000 1.379 23 I CB -1.581 36.345 38.000 -0.123 0.000 1.460 23 I HN 0.240 nan 8.210 nan 0.000 0.601 24 N N 7.087 125.734 118.700 -0.088 0.000 2.331 24 N HA 0.416 5.156 4.740 -0.000 0.000 0.280 24 N C -1.971 173.523 175.510 -0.026 0.000 1.155 24 N CA -1.005 52.013 53.050 -0.055 0.000 0.822 24 N CB 2.254 40.702 38.487 -0.064 0.000 1.619 24 N HN 0.112 nan 8.380 nan 0.000 0.476 25 P HA -0.211 nan 4.420 nan 0.000 0.218 25 P C 1.075 178.375 177.300 0.000 0.000 1.152 25 P CA 1.330 64.427 63.100 -0.004 0.000 0.857 25 P CB 0.358 32.052 31.700 -0.009 0.000 0.787 26 L N -0.493 120.723 121.223 -0.012 0.000 2.046 26 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 26 L C 2.606 179.477 176.870 0.001 0.000 1.077 26 L CA 1.924 56.758 54.840 -0.010 0.000 0.747 26 L CB -1.083 40.959 42.059 -0.028 0.000 0.896 26 L HN 0.082 nan 8.230 nan 0.000 0.432 27 S N -0.609 115.085 115.700 -0.011 0.000 2.595 27 S HA -0.130 4.340 4.470 -0.000 0.000 0.235 27 S C 1.389 176.047 174.600 0.097 0.000 0.974 27 S CA 1.331 59.539 58.200 0.014 0.000 0.942 27 S CB -0.288 62.889 63.200 -0.037 0.000 0.766 27 S HN 0.445 nan 8.310 nan 0.000 0.536 28 N N -0.021 118.726 118.700 0.078 0.000 2.181 28 N HA 0.161 4.901 4.740 -0.000 0.000 0.207 28 N C 1.513 177.036 175.510 0.022 0.000 1.182 28 N CA 0.709 53.803 53.050 0.073 0.000 0.893 28 N CB 0.463 39.001 38.487 0.085 0.000 1.032 28 N HN 0.400 nan 8.380 nan 0.000 0.513 29 S N -0.201 115.519 115.700 0.033 0.000 2.400 29 S HA -0.135 4.335 4.470 -0.000 0.000 0.232 29 S C 1.591 176.211 174.600 0.034 0.000 1.025 29 S CA 0.898 59.129 58.200 0.052 0.000 0.993 29 S CB -0.170 63.097 63.200 0.111 0.000 0.808 29 S HN 0.320 nan 8.310 nan 0.000 0.478 30 L N -0.429 120.768 121.223 -0.044 0.000 2.500 30 L HA 0.600 4.940 4.340 -0.000 0.000 0.219 30 L C -0.018 176.838 176.870 -0.024 0.000 1.057 30 L CA 0.471 55.222 54.840 -0.148 0.000 0.854 30 L CB 0.445 42.230 42.059 -0.456 0.000 1.078 30 L HN 0.459 nan 8.230 nan 0.000 0.480 31 L N -0.823 120.383 121.223 -0.029 0.000 2.562 31 L HA 0.396 4.735 4.340 -0.000 0.000 0.266 31 L C 0.324 177.145 176.870 -0.082 0.000 0.949 31 L CA -0.410 54.411 54.840 -0.032 0.000 0.879 31 L CB 1.529 43.592 42.059 0.007 0.000 1.278 31 L HN -0.095 nan 8.230 nan 0.000 0.404 32 R N 0.822 121.200 120.500 -0.204 0.000 2.090 32 R HA 0.180 4.520 4.340 -0.000 0.000 0.219 32 R C 0.146 176.166 176.300 -0.467 0.000 1.100 32 R CA 0.835 56.733 56.100 -0.335 0.000 0.991 32 R CB 0.062 30.118 30.300 -0.406 0.000 0.893 32 R HN 0.637 nan 8.270 nan 0.000 0.443 33 H N 1.176 120.130 119.070 -0.193 0.000 2.998 33 H HA 0.037 4.592 4.556 -0.000 0.000 0.241 33 H C 0.666 175.936 175.328 -0.095 0.000 1.852 33 H CA -0.140 55.797 56.048 -0.184 0.000 1.419 33 H CB -0.064 29.662 29.762 -0.060 0.000 1.793 33 H HN 0.454 nan 8.280 nan 0.000 0.553 34 H N 0.463 119.619 119.070 0.142 0.000 2.491 34 H HA -0.100 4.455 4.556 -0.000 0.000 0.290 34 H C 0.714 176.128 175.328 0.144 0.000 1.050 34 H CA 0.692 56.812 56.048 0.119 0.000 1.309 34 H CB 0.049 29.855 29.762 0.073 0.000 1.392 34 H HN 0.593 nan 8.280 nan 0.000 0.554 35 N N 0.512 119.426 118.700 0.356 0.000 2.550 35 N HA -0.030 4.710 4.740 -0.000 0.000 0.186 35 N C 1.350 176.983 175.510 0.203 0.000 1.110 35 N CA 0.153 53.355 53.050 0.253 0.000 0.912 35 N CB 0.122 38.730 38.487 0.202 0.000 0.968 35 N HN 0.287 nan 8.380 nan 0.000 0.448 36 M N 0.435 120.157 119.600 0.204 0.000 2.492 36 M HA 0.064 4.544 4.480 -0.000 0.000 0.262 36 M C 0.237 176.701 176.300 0.274 0.000 1.090 36 M CA 0.610 56.027 55.300 0.195 0.000 1.110 36 M CB -0.031 32.666 32.600 0.161 0.000 1.407 36 M HN -0.153 nan 8.290 nan 0.000 0.470 37 V N 1.402 121.493 119.914 0.295 0.000 2.427 37 V HA 0.349 4.469 4.120 -0.000 0.000 0.286 37 V C -0.709 175.643 176.094 0.430 0.000 1.034 37 V CA -0.723 61.765 62.300 0.313 0.000 0.893 37 V CB 1.023 33.020 31.823 0.292 0.000 0.982 37 V HN 0.394 nan 8.190 nan 0.000 0.452 38 Y N 2.537 122.969 120.300 0.219 0.000 2.609 38 Y HA 0.906 5.455 4.550 -0.000 0.000 0.336 38 Y C -0.509 175.395 175.900 0.005 0.000 1.129 38 Y CA -1.351 56.867 58.100 0.197 0.000 1.040 38 Y CB 1.391 39.943 38.460 0.153 0.000 1.310 38 Y HN 0.717 nan 8.280 nan 0.000 0.460 39 A N 1.327 124.124 122.820 -0.039 0.000 2.337 39 A HA 0.739 5.059 4.320 -0.000 0.000 0.331 39 A C -0.150 177.495 177.584 0.103 0.000 1.137 39 A CA -0.370 51.471 52.037 -0.326 0.000 0.807 39 A CB 0.645 19.223 19.000 -0.704 0.000 1.250 39 A HN 1.104 nan 8.150 nan 0.000 0.468 40 T N -0.272 114.337 114.554 0.092 0.000 2.904 40 T HA 0.613 4.962 4.350 -0.000 0.000 0.290 40 T C 0.344 175.106 174.700 0.102 0.000 1.018 40 T CA 0.324 62.538 62.100 0.190 0.000 1.075 40 T CB 0.901 69.896 68.868 0.211 0.000 0.986 40 T HN 1.378 nan 8.240 nan 0.000 0.523 41 T N -1.618 112.997 114.554 0.102 0.000 2.804 41 T HA 0.465 4.815 4.350 -0.000 0.000 0.290 41 T C 1.237 175.969 174.700 0.054 0.000 1.099 41 T CA -0.696 61.449 62.100 0.074 0.000 1.011 41 T CB 1.160 70.076 68.868 0.080 0.000 1.291 41 T HN 0.354 nan 8.240 nan 0.000 0.523 42 S N -0.439 115.287 115.700 0.042 0.000 2.420 42 S HA -0.106 4.364 4.470 -0.000 0.000 0.237 42 S C 2.018 176.621 174.600 0.005 0.000 1.023 42 S CA 1.168 59.380 58.200 0.021 0.000 0.991 42 S CB -0.504 62.708 63.200 0.021 0.000 0.792 42 S HN 0.615 nan 8.310 nan 0.000 0.488 43 R N 0.968 121.477 120.500 0.015 0.000 2.152 43 R HA -0.038 4.302 4.340 -0.000 0.000 0.232 43 R C 2.197 178.490 176.300 -0.011 0.000 1.117 43 R CA 1.475 57.577 56.100 0.002 0.000 0.981 43 R CB -0.265 30.043 30.300 0.013 0.000 0.870 43 R HN 0.465 nan 8.270 nan 0.000 0.451 44 S N -0.691 115.008 115.700 -0.002 0.000 2.577 44 S HA 0.231 4.701 4.470 -0.000 0.000 0.219 44 S C 1.679 176.259 174.600 -0.033 0.000 0.962 44 S CA 0.145 58.337 58.200 -0.013 0.000 0.921 44 S CB 0.807 64.014 63.200 0.010 0.000 0.789 44 S HN 0.276 nan 8.310 nan 0.000 0.497 45 A N 2.705 125.497 122.820 -0.047 0.000 1.898 45 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 45 A C 2.461 179.956 177.584 -0.148 0.000 1.181 45 A CA 1.685 53.673 52.037 -0.082 0.000 0.620 45 A CB -1.283 17.667 19.000 -0.084 0.000 0.819 45 A HN 0.826 nan 8.150 nan 0.000 0.442 46 S N 0.003 115.610 115.700 -0.155 0.000 2.383 46 S HA -0.163 4.307 4.470 -0.000 0.000 0.229 46 S C 1.655 176.161 174.600 -0.157 0.000 1.030 46 S CA 1.627 59.706 58.200 -0.202 0.000 1.002 46 S CB -0.604 62.504 63.200 -0.154 0.000 0.829 46 S HN 0.240 nan 8.310 nan 0.000 0.467 47 L N 1.728 122.893 121.223 -0.097 0.000 2.046 47 L HA 0.105 4.445 4.340 -0.000 0.000 0.208 47 L C 2.817 179.658 176.870 -0.050 0.000 1.077 47 L CA 1.584 56.387 54.840 -0.062 0.000 0.747 47 L CB -1.141 40.892 42.059 -0.044 0.000 0.896 47 L HN 0.280 nan 8.230 nan 0.000 0.432 48 R N -0.013 120.453 120.500 -0.056 0.000 2.081 48 R HA -0.153 4.186 4.340 -0.000 0.000 0.235 48 R C 2.223 178.497 176.300 -0.044 0.000 1.131 48 R CA 1.487 57.568 56.100 -0.031 0.000 0.960 48 R CB -0.424 29.860 30.300 -0.026 0.000 0.856 48 R HN 0.468 nan 8.270 nan 0.000 0.436 49 Q N 0.042 119.749 119.800 -0.155 0.000 2.135 49 Q HA -0.238 4.102 4.340 -0.000 0.000 0.204 49 Q C 1.847 177.834 176.000 -0.022 0.000 0.981 49 Q CA 2.252 57.918 55.803 -0.229 0.000 0.856 49 Q CB -0.224 28.093 28.738 -0.701 0.000 0.902 49 Q HN 0.429 nan 8.270 nan 0.000 0.425 50 K N 0.834 121.218 120.400 -0.026 0.000 2.155 50 K HA -0.093 4.226 4.320 -0.000 0.000 0.203 50 K C 1.619 178.300 176.600 0.134 0.000 1.052 50 K CA 1.315 57.639 56.287 0.062 0.000 0.948 50 K CB 0.047 32.559 32.500 0.020 0.000 0.728 50 K HN -0.067 nan 8.250 nan 0.000 0.448 51 K N 0.185 120.651 120.400 0.110 0.000 2.217 51 K HA 0.027 4.347 4.320 -0.000 0.000 0.202 51 K C 1.657 178.431 176.600 0.291 0.000 1.051 51 K CA 0.891 57.267 56.287 0.147 0.000 0.952 51 K CB 0.165 32.720 32.500 0.091 0.000 0.736 51 K HN -0.014 nan 8.250 nan 0.000 0.453 52 V N 0.651 120.743 119.914 0.295 0.000 3.354 52 V HA -0.029 4.091 4.120 -0.000 0.000 0.258 52 V C 0.332 176.664 176.094 0.397 0.000 1.159 52 V CA 0.904 63.428 62.300 0.372 0.000 1.125 52 V CB 0.649 32.593 31.823 0.201 0.000 0.774 52 V HN 0.159 nan 8.190 nan 0.000 0.464 53 T N 3.583 118.391 114.554 0.424 0.000 2.738 53 T HA 0.579 4.929 4.350 -0.000 0.000 0.298 53 T C -0.722 174.204 174.700 0.378 0.000 0.962 53 T CA -0.036 62.276 62.100 0.353 0.000 0.972 53 T CB -0.068 69.082 68.868 0.470 0.000 0.928 53 T HN 0.328 nan 8.240 nan 0.000 0.474 54 F N 0.046 120.094 119.950 0.162 0.000 2.693 54 F HA 0.598 5.125 4.527 -0.000 0.000 0.309 54 F C -0.744 175.095 175.800 0.065 0.000 1.129 54 F CA -1.758 56.303 58.000 0.100 0.000 0.948 54 F CB 0.804 39.854 39.000 0.084 0.000 1.315 54 F HN 0.269 nan 8.300 nan 0.000 0.447 55 D N 0.855 121.386 120.400 0.219 0.000 2.382 55 D HA 0.439 5.079 4.640 -0.000 0.000 0.245 55 D C -0.810 175.602 176.300 0.186 0.000 1.120 55 D CA 0.122 54.192 54.000 0.118 0.000 0.890 55 D CB 0.793 41.649 40.800 0.094 0.000 1.201 55 D HN 0.570 nan 8.370 nan 0.000 0.433 56 R N 2.269 122.821 120.500 0.088 0.000 2.445 56 R HA 0.591 4.931 4.340 -0.000 0.000 0.308 56 R C -0.955 175.377 176.300 0.053 0.000 0.961 56 R CA -0.580 55.582 56.100 0.103 0.000 0.862 56 R CB 1.266 31.596 30.300 0.051 0.000 1.144 56 R HN 0.407 nan 8.270 nan 0.000 0.447 57 L N 2.010 123.266 121.223 0.054 0.000 2.322 57 L HA 0.514 4.854 4.340 -0.000 0.000 0.281 57 L C -0.401 176.479 176.870 0.016 0.000 1.014 57 L CA -0.402 54.452 54.840 0.024 0.000 0.815 57 L CB 1.831 43.903 42.059 0.021 0.000 1.247 57 L HN 0.474 nan 8.230 nan 0.000 0.421 58 Q N 2.534 122.332 119.800 -0.004 0.000 2.304 58 Q HA 0.605 4.945 4.340 -0.000 0.000 0.270 58 Q C -1.879 174.104 176.000 -0.030 0.000 1.035 58 Q CA -0.573 55.222 55.803 -0.013 0.000 0.781 58 Q CB 2.660 31.375 28.738 -0.038 0.000 1.261 58 Q HN 0.444 nan 8.270 nan 0.000 0.444 59 V N 5.799 125.708 119.914 -0.008 0.000 2.380 59 V HA 0.374 4.494 4.120 -0.000 0.000 0.286 59 V C -0.369 175.739 176.094 0.023 0.000 1.015 59 V CA -0.591 61.701 62.300 -0.013 0.000 0.834 59 V CB 1.253 33.072 31.823 -0.008 0.000 1.009 59 V HN 0.734 nan 8.190 nan 0.000 0.428 60 L N 5.180 126.343 121.223 -0.099 0.000 2.350 60 L HA 0.623 4.963 4.340 -0.000 0.000 0.275 60 L C 0.094 176.948 176.870 -0.028 0.000 1.099 60 L CA -0.429 54.287 54.840 -0.207 0.000 0.808 60 L CB 1.169 42.908 42.059 -0.533 0.000 1.149 60 L HN 0.687 nan 8.230 nan 0.000 0.442 61 D N -0.225 120.230 120.400 0.090 0.000 2.621 61 D HA 0.160 4.800 4.640 -0.000 0.000 0.255 61 D C 0.144 176.472 176.300 0.047 0.000 1.122 61 D CA -0.633 53.415 54.000 0.080 0.000 1.096 61 D CB 0.710 41.593 40.800 0.139 0.000 1.282 61 D HN 0.292 nan 8.370 nan 0.000 0.619 62 D N -1.249 119.118 120.400 -0.054 0.000 2.178 62 D HA -0.131 4.509 4.640 -0.000 0.000 0.202 62 D C 1.743 178.020 176.300 -0.038 0.000 0.974 62 D CA 1.092 55.042 54.000 -0.083 0.000 0.841 62 D CB -0.160 40.540 40.800 -0.167 0.000 0.953 62 D HN 0.401 nan 8.370 nan 0.000 0.478 63 H N -0.645 118.486 119.070 0.103 0.000 2.353 63 H HA -0.139 4.417 4.556 -0.000 0.000 0.300 63 H C 1.977 177.344 175.328 0.066 0.000 1.090 63 H CA 0.927 57.030 56.048 0.092 0.000 1.327 63 H CB -0.759 29.082 29.762 0.131 0.000 1.383 63 H HN 0.321 nan 8.280 nan 0.000 0.508 64 Y N 2.007 122.322 120.300 0.025 0.000 2.165 64 Y HA -0.230 4.320 4.550 -0.000 0.000 0.286 64 Y C 2.678 178.512 175.900 -0.109 0.000 1.155 64 Y CA 1.535 59.523 58.100 -0.187 0.000 1.164 64 Y CB 0.014 38.215 38.460 -0.433 0.000 0.978 64 Y HN -0.025 nan 8.280 nan 0.000 0.513 65 R N 0.026 120.623 120.500 0.160 0.000 2.075 65 R HA -0.152 4.188 4.340 -0.000 0.000 0.232 65 R C 1.782 178.082 176.300 0.000 0.000 1.126 65 R CA 1.470 57.619 56.100 0.082 0.000 0.963 65 R CB -0.385 29.962 30.300 0.077 0.000 0.858 65 R HN 0.392 nan 8.270 nan 0.000 0.435 66 D N 0.299 120.709 120.400 0.017 0.000 2.106 66 D HA -0.149 4.491 4.640 -0.000 0.000 0.191 66 D C 1.976 178.263 176.300 -0.021 0.000 0.997 66 D CA 1.239 55.247 54.000 0.013 0.000 0.834 66 D CB -0.348 40.485 40.800 0.055 0.000 0.956 66 D HN -0.015 nan 8.370 nan 0.000 0.448 67 V N 1.313 121.195 119.914 -0.053 0.000 2.407 67 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 67 V C 2.527 178.552 176.094 -0.116 0.000 1.055 67 V CA 1.003 63.251 62.300 -0.087 0.000 1.049 67 V CB -0.379 31.354 31.823 -0.150 0.000 0.662 67 V HN 0.257 nan 8.190 nan 0.000 0.455 68 L N -0.191 120.918 121.223 -0.191 0.000 2.005 68 L HA -0.202 4.138 4.340 -0.000 0.000 0.207 68 L C 2.680 179.496 176.870 -0.090 0.000 1.072 68 L CA 2.013 56.741 54.840 -0.187 0.000 0.744 68 L CB -0.398 41.528 42.059 -0.222 0.000 0.895 68 L HN 0.312 nan 8.230 nan 0.000 0.433 69 K N -0.110 120.256 120.400 -0.058 0.000 2.044 69 K HA -0.257 4.063 4.320 -0.000 0.000 0.210 69 K C 1.864 178.449 176.600 -0.025 0.000 1.049 69 K CA 2.124 58.392 56.287 -0.031 0.000 0.927 69 K CB -0.177 32.314 32.500 -0.015 0.000 0.713 69 K HN 0.456 nan 8.250 nan 0.000 0.443 70 E N 0.472 120.661 120.200 -0.019 0.000 2.051 70 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 70 E C 2.111 178.709 176.600 -0.003 0.000 0.991 70 E CA 1.493 57.891 56.400 -0.002 0.000 0.799 70 E CB -0.108 29.599 29.700 0.012 0.000 0.748 70 E HN 0.282 nan 8.360 nan 0.000 0.449 71 M N 0.741 120.336 119.600 -0.008 0.000 2.080 71 M HA -0.200 4.280 4.480 -0.000 0.000 0.260 71 M C 2.167 178.441 176.300 -0.044 0.000 1.068 71 M CA 1.477 56.765 55.300 -0.021 0.000 1.109 71 M CB -0.198 32.385 32.600 -0.028 0.000 1.342 71 M HN -0.051 nan 8.290 nan 0.000 0.405 72 K N 0.298 120.669 120.400 -0.047 0.000 2.063 72 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 72 K C 2.111 178.694 176.600 -0.028 0.000 1.048 72 K CA 1.597 57.858 56.287 -0.043 0.000 0.928 72 K CB -0.418 32.057 32.500 -0.041 0.000 0.713 72 K HN 0.349 nan 8.250 nan 0.000 0.442 73 A N 1.882 124.689 122.820 -0.021 0.000 1.972 73 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 73 A C 2.003 179.578 177.584 -0.015 0.000 1.169 73 A CA 1.331 53.361 52.037 -0.013 0.000 0.635 73 A CB -0.133 18.862 19.000 -0.007 0.000 0.810 73 A HN 0.091 nan 8.150 nan 0.000 0.446 74 K N -0.263 120.124 120.400 -0.021 0.000 2.062 74 K HA 0.059 4.379 4.320 -0.000 0.000 0.205 74 K C 2.250 178.828 176.600 -0.037 0.000 1.051 74 K CA 1.182 57.451 56.287 -0.029 0.000 0.941 74 K CB -0.680 31.796 32.500 -0.039 0.000 0.719 74 K HN 0.422 nan 8.250 nan 0.000 0.440 75 A N 1.206 124.002 122.820 -0.040 0.000 2.019 75 A HA -0.113 4.206 4.320 -0.000 0.000 0.219 75 A C 2.187 179.762 177.584 -0.016 0.000 1.164 75 A CA 1.721 53.738 52.037 -0.033 0.000 0.644 75 A CB -0.472 18.509 19.000 -0.032 0.000 0.805 75 A HN 0.219 nan 8.150 nan 0.000 0.449 76 S N -1.064 114.628 115.700 -0.014 0.000 2.500 76 S HA -0.083 4.386 4.470 -0.000 0.000 0.239 76 S C 1.713 176.310 174.600 -0.005 0.000 0.989 76 S CA 1.436 59.633 58.200 -0.006 0.000 0.951 76 S CB -0.300 62.896 63.200 -0.006 0.000 0.759 76 S HN 0.652 nan 8.310 nan 0.000 0.523 77 T N 1.424 115.971 114.554 -0.011 0.000 3.107 77 T HA 0.209 4.559 4.350 -0.000 0.000 0.249 77 T C 0.310 175.003 174.700 -0.012 0.000 1.096 77 T CA 0.069 62.162 62.100 -0.011 0.000 1.012 77 T CB 0.011 68.870 68.868 -0.014 0.000 0.977 77 T HN 0.006 nan 8.240 nan 0.000 0.527 78 V N 2.389 122.295 119.914 -0.012 0.000 2.509 78 V HA 0.446 4.566 4.120 -0.000 0.000 0.284 78 V C -0.036 176.057 176.094 -0.002 0.000 1.047 78 V CA -0.728 61.565 62.300 -0.013 0.000 0.952 78 V CB 1.553 33.365 31.823 -0.018 0.000 0.988 78 V HN 0.159 nan 8.190 nan 0.000 0.469 79 K N 3.735 124.134 120.400 -0.002 0.000 2.450 79 K HA 0.732 5.051 4.320 -0.000 0.000 0.257 79 K C -0.587 176.016 176.600 0.005 0.000 0.953 79 K CA -0.444 55.846 56.287 0.005 0.000 0.844 79 K CB 1.384 33.887 32.500 0.006 0.000 1.103 79 K HN 0.806 nan 8.250 nan 0.000 0.429 80 A N 4.685 127.512 122.820 0.011 0.000 2.274 80 A HA 0.396 4.716 4.320 -0.000 0.000 0.309 80 A C -0.668 176.930 177.584 0.025 0.000 1.226 80 A CA -0.794 51.250 52.037 0.012 0.000 0.853 80 A CB 0.519 19.526 19.000 0.011 0.000 1.146 80 A HN 0.608 nan 8.150 nan 0.000 0.518 81 K N 1.521 121.937 120.400 0.027 0.000 2.326 81 K HA 0.207 4.527 4.320 -0.000 0.000 0.275 81 K C -0.386 176.238 176.600 0.040 0.000 1.018 81 K CA -0.476 55.830 56.287 0.031 0.000 0.962 81 K CB 0.859 33.379 32.500 0.032 0.000 0.953 81 K HN 0.573 nan 8.250 nan 0.000 0.475 82 L N 3.904 125.147 121.223 0.032 0.000 2.281 82 L HA 0.201 4.541 4.340 -0.000 0.000 0.285 82 L C -0.688 176.168 176.870 -0.023 0.000 1.074 82 L CA -0.420 54.435 54.840 0.025 0.000 0.817 82 L CB 0.233 42.314 42.059 0.037 0.000 1.168 82 L HN 0.388 nan 8.230 nan 0.000 0.434 83 L N 4.204 125.405 121.223 -0.037 0.000 2.439 83 L HA 0.331 4.671 4.340 -0.000 0.000 0.269 83 L C 0.770 177.543 176.870 -0.161 0.000 1.179 83 L CA 0.685 55.481 54.840 -0.074 0.000 0.828 83 L CB 1.048 43.071 42.059 -0.061 0.000 1.106 83 L HN 0.930 nan 8.230 nan 0.000 0.467 84 S N 2.389 118.003 115.700 -0.144 0.000 2.624 84 S HA 0.302 4.772 4.470 -0.000 0.000 0.263 84 S C 1.330 175.811 174.600 -0.199 0.000 1.287 84 S CA -0.549 57.545 58.200 -0.178 0.000 0.990 84 S CB 0.430 63.554 63.200 -0.126 0.000 0.950 84 S HN 0.467 nan 8.310 nan 0.000 0.561 85 I N 1.030 121.471 120.570 -0.214 0.000 2.286 85 I HA -0.170 4.000 4.170 -0.000 0.000 0.248 85 I C 2.498 178.527 176.117 -0.147 0.000 1.115 85 I CA 1.464 62.647 61.300 -0.195 0.000 1.392 85 I CB -0.606 37.282 38.000 -0.187 0.000 1.065 85 I HN 0.703 nan 8.210 nan 0.000 0.418 86 E N 0.980 121.105 120.200 -0.126 0.000 2.070 86 E HA -0.262 4.088 4.350 -0.000 0.000 0.197 86 E C 2.069 178.604 176.600 -0.107 0.000 1.004 86 E CA 1.620 57.959 56.400 -0.102 0.000 0.805 86 E CB -0.190 29.460 29.700 -0.083 0.000 0.744 86 E HN 0.523 nan 8.360 nan 0.000 0.451 87 E N 0.307 120.437 120.200 -0.116 0.000 2.047 87 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 87 E C 2.125 178.619 176.600 -0.175 0.000 0.987 87 E CA 0.929 57.252 56.400 -0.128 0.000 0.799 87 E CB -0.186 29.446 29.700 -0.112 0.000 0.752 87 E HN 0.289 nan 8.360 nan 0.000 0.449 88 A N 0.758 123.470 122.820 -0.180 0.000 1.933 88 A HA -0.198 4.121 4.320 -0.000 0.000 0.218 88 A C 2.379 179.864 177.584 -0.165 0.000 1.175 88 A CA 1.160 53.080 52.037 -0.195 0.000 0.628 88 A CB -0.900 18.005 19.000 -0.160 0.000 0.814 88 A HN 0.371 nan 8.150 nan 0.000 0.444 89 C N -0.581 118.639 119.300 -0.135 0.000 2.429 89 C HA -0.091 4.369 4.460 -0.000 0.000 0.277 89 C C 2.683 177.604 174.990 -0.114 0.000 1.262 89 C CA 1.354 60.306 59.018 -0.110 0.000 1.733 89 C CB -1.030 26.652 27.740 -0.098 0.000 2.010 89 C HN 0.616 nan 8.230 nan 0.000 0.483 90 K N 0.559 120.891 120.400 -0.112 0.000 2.147 90 K HA -0.054 4.266 4.320 -0.000 0.000 0.205 90 K C 1.541 178.093 176.600 -0.079 0.000 1.049 90 K CA 1.054 57.291 56.287 -0.084 0.000 0.936 90 K CB -0.227 32.233 32.500 -0.066 0.000 0.722 90 K HN 0.522 nan 8.250 nan 0.000 0.446 91 L N 1.051 122.173 121.223 -0.169 0.000 2.551 91 L HA -0.030 4.310 4.340 -0.000 0.000 0.228 91 L C 0.432 177.195 176.870 -0.178 0.000 1.153 91 L CA 0.274 54.972 54.840 -0.238 0.000 0.851 91 L CB -0.465 41.321 42.059 -0.455 0.000 0.959 91 L HN 0.019 nan 8.230 nan 0.000 0.451 92 T N 1.784 116.245 114.554 -0.154 0.000 2.814 92 T HA 0.180 4.530 4.350 -0.000 0.000 0.297 92 T C -2.296 172.248 174.700 -0.260 0.000 0.956 92 T CA -1.070 60.932 62.100 -0.163 0.000 1.123 92 T CB 0.788 69.578 68.868 -0.129 0.000 0.902 92 T HN -0.118 nan 8.240 nan 0.000 0.528 93 P HA 0.163 nan 4.420 nan 0.000 0.267 93 P C -1.923 175.097 177.300 -0.467 0.000 1.205 93 P CA -1.451 61.405 63.100 -0.406 0.000 0.765 93 P CB 0.233 31.829 31.700 -0.173 0.000 0.828 94 P HA -0.155 nan 4.420 nan 0.000 0.221 94 P C 0.392 177.295 177.300 -0.662 0.000 1.145 94 P CA 1.662 64.360 63.100 -0.669 0.000 0.795 94 P CB -0.083 31.125 31.700 -0.819 0.000 0.775 95 H N -2.058 116.921 119.070 -0.151 0.000 2.481 95 H HA 0.305 4.861 4.556 -0.000 0.000 0.273 95 H C 0.327 175.602 175.328 -0.088 0.000 1.145 95 H CA -0.336 55.659 56.048 -0.088 0.000 0.964 95 H CB 0.045 29.777 29.762 -0.051 0.000 1.722 95 H HN 0.027 nan 8.280 nan 0.000 0.573 96 S N 0.860 116.526 115.700 -0.057 0.000 2.603 96 S HA 0.463 4.933 4.470 -0.000 0.000 0.268 96 S C 0.641 175.212 174.600 -0.048 0.000 1.317 96 S CA -0.505 57.650 58.200 -0.075 0.000 1.012 96 S CB 0.658 63.797 63.200 -0.102 0.000 0.926 96 S HN 0.510 nan 8.310 nan 0.000 0.539 97 A N 4.266 127.041 122.820 -0.076 0.000 2.545 97 A HA 0.245 4.565 4.320 -0.000 0.000 0.253 97 A C 0.646 178.241 177.584 0.017 0.000 1.074 97 A CA -0.159 51.866 52.037 -0.019 0.000 0.760 97 A CB -0.374 18.608 19.000 -0.030 0.000 1.005 97 A HN 0.864 nan 8.150 nan 0.000 0.506 98 K N 2.294 122.697 120.400 0.005 0.000 2.276 98 K HA 0.288 4.608 4.320 -0.000 0.000 0.259 98 K C 0.285 176.831 176.600 -0.089 0.000 1.001 98 K CA -0.025 56.229 56.287 -0.054 0.000 0.927 98 K CB 0.401 32.872 32.500 -0.048 0.000 0.969 98 K HN 0.414 nan 8.250 nan 0.000 0.490 99 S N 0.185 115.720 115.700 -0.275 0.000 2.601 99 S HA 0.091 4.561 4.470 -0.000 0.000 0.271 99 S C 0.651 175.135 174.600 -0.194 0.000 1.305 99 S CA -0.635 57.391 58.200 -0.290 0.000 1.022 99 S CB 0.775 63.483 63.200 -0.819 0.000 0.940 99 S HN 0.675 nan 8.310 nan 0.000 0.525 100 K N 2.094 122.423 120.400 -0.117 0.000 2.360 100 K HA -0.033 4.287 4.320 -0.000 0.000 0.201 100 K C 0.052 176.403 176.600 -0.416 0.000 1.046 100 K CA 1.187 57.315 56.287 -0.264 0.000 0.945 100 K CB -0.139 32.148 32.500 -0.354 0.000 0.750 100 K HN 0.582 nan 8.250 nan 0.000 0.464 101 F N 0.512 120.318 119.950 -0.240 0.000 2.819 101 F HA 0.230 4.757 4.527 -0.000 0.000 0.294 101 F C 0.944 176.719 175.800 -0.043 0.000 1.166 101 F CA -0.329 57.561 58.000 -0.182 0.000 1.374 101 F CB 0.596 39.374 39.000 -0.371 0.000 0.956 101 F HN 0.044 nan 8.300 nan 0.000 0.509 102 G N 1.106 109.914 108.800 0.014 0.000 2.289 102 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.280 102 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.280 102 G C -0.557 174.460 174.900 0.195 0.000 1.089 102 G CA 0.283 45.426 45.100 0.071 0.000 0.939 102 G HN 0.633 nan 8.290 nan 0.000 0.499 103 Y N -2.945 117.387 120.300 0.053 0.000 2.565 103 Y HA 0.703 5.253 4.550 -0.000 0.000 0.330 103 Y C 0.291 176.221 175.900 0.050 0.000 1.150 103 Y CA -1.016 57.112 58.100 0.046 0.000 1.055 103 Y CB 0.427 38.917 38.460 0.051 0.000 1.337 103 Y HN 0.708 nan 8.280 nan 0.000 0.457 104 G N 0.318 109.191 108.800 0.120 0.000 3.016 104 G HA2 0.559 4.519 3.960 -0.000 0.000 0.270 104 G HA3 0.559 4.519 3.960 -0.000 0.000 0.270 104 G C 0.310 175.273 174.900 0.105 0.000 1.352 104 G CA -0.778 44.345 45.100 0.039 0.000 1.060 104 G HN 1.235 nan 8.290 nan 0.000 0.538 105 A N -0.501 122.334 122.820 0.025 0.000 1.933 105 A HA -0.030 4.290 4.320 -0.000 0.000 0.218 105 A C 2.136 179.694 177.584 -0.043 0.000 1.175 105 A CA 2.246 54.273 52.037 -0.017 0.000 0.628 105 A CB -0.514 18.428 19.000 -0.097 0.000 0.814 105 A HN 0.652 nan 8.150 nan 0.000 0.444 106 K N -0.061 120.314 120.400 -0.042 0.000 2.063 106 K HA -0.226 4.094 4.320 -0.000 0.000 0.208 106 K C 1.301 177.894 176.600 -0.011 0.000 1.048 106 K CA 1.953 58.211 56.287 -0.049 0.000 0.928 106 K CB -0.257 32.228 32.500 -0.025 0.000 0.713 106 K HN 0.468 nan 8.250 nan 0.000 0.442 107 D N 0.235 120.663 120.400 0.047 0.000 2.117 107 D HA -0.132 4.508 4.640 -0.000 0.000 0.198 107 D C 2.073 178.384 176.300 0.019 0.000 0.982 107 D CA 1.143 55.176 54.000 0.055 0.000 0.828 107 D CB -0.145 40.738 40.800 0.138 0.000 0.967 107 D HN 0.099 nan 8.370 nan 0.000 0.464 108 V N 1.789 121.740 119.914 0.061 0.000 2.237 108 V HA -0.252 3.868 4.120 -0.000 0.000 0.245 108 V C 2.540 178.608 176.094 -0.044 0.000 1.046 108 V CA 1.639 63.945 62.300 0.009 0.000 1.007 108 V CB -0.420 31.441 31.823 0.064 0.000 0.638 108 V HN 0.135 nan 8.190 nan 0.000 0.445 109 R N 0.479 120.943 120.500 -0.060 0.000 2.139 109 R HA -0.169 4.171 4.340 -0.000 0.000 0.243 109 R C 1.696 177.955 176.300 -0.068 0.000 1.145 109 R CA 1.632 57.681 56.100 -0.086 0.000 0.976 109 R CB -0.517 29.706 30.300 -0.127 0.000 0.866 109 R HN 0.499 nan 8.270 nan 0.000 0.449 110 N N 0.609 119.276 118.700 -0.055 0.000 2.449 110 N HA 0.015 4.755 4.740 -0.000 0.000 0.191 110 N C -0.232 175.247 175.510 -0.052 0.000 1.161 110 N CA 0.213 53.235 53.050 -0.047 0.000 0.863 110 N CB 0.035 38.501 38.487 -0.035 0.000 0.980 110 N HN -0.018 nan 8.380 nan 0.000 0.458 111 L N 0.369 121.554 121.223 -0.064 0.000 3.739 111 L HA -0.222 4.118 4.340 -0.000 0.000 0.442 111 L C 0.399 177.222 176.870 -0.078 0.000 1.241 111 L CA 0.229 55.023 54.840 -0.077 0.000 0.819 111 L CB -2.850 39.166 42.059 -0.072 0.000 1.679 111 L HN 0.126 nan 8.230 nan 0.000 0.889 112 S N -0.618 115.035 115.700 -0.079 0.000 2.558 112 S HA 0.157 4.627 4.470 -0.000 0.000 0.293 112 S C 1.668 176.202 174.600 -0.111 0.000 1.292 112 S CA 0.297 58.450 58.200 -0.079 0.000 1.063 112 S CB 0.897 64.056 63.200 -0.068 0.000 0.831 112 S HN 0.748 nan 8.310 nan 0.000 0.499 113 S N 4.776 120.425 115.700 -0.083 0.000 2.423 113 S HA -0.157 4.313 4.470 -0.000 0.000 0.231 113 S C 1.854 176.389 174.600 -0.110 0.000 1.014 113 S CA 1.015 59.164 58.200 -0.085 0.000 0.965 113 S CB -0.423 62.744 63.200 -0.054 0.000 0.785 113 S HN 0.865 nan 8.310 nan 0.000 0.495 114 R N 1.256 121.686 120.500 -0.117 0.000 2.115 114 R HA 0.095 4.435 4.340 -0.000 0.000 0.230 114 R C 2.375 178.451 176.300 -0.373 0.000 1.111 114 R CA 1.167 57.181 56.100 -0.142 0.000 0.976 114 R CB -0.701 29.566 30.300 -0.055 0.000 0.870 114 R HN 0.524 nan 8.270 nan 0.000 0.445 115 A N 0.469 122.964 122.820 -0.542 0.000 1.872 115 A HA -0.095 4.225 4.320 -0.000 0.000 0.214 115 A C 2.234 179.544 177.584 -0.457 0.000 1.187 115 A CA 1.451 52.919 52.037 -0.949 0.000 0.614 115 A CB -0.807 17.802 19.000 -0.652 0.000 0.826 115 A HN 0.314 nan 8.150 nan 0.000 0.442 116 V N -0.952 118.805 119.914 -0.262 0.000 2.407 116 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 116 V C 1.892 177.905 176.094 -0.134 0.000 1.055 116 V CA 2.450 64.648 62.300 -0.170 0.000 1.049 116 V CB -1.283 30.463 31.823 -0.128 0.000 0.662 116 V HN 0.423 nan 8.190 nan 0.000 0.455 117 N N 0.542 119.170 118.700 -0.119 0.000 2.018 117 N HA -0.229 4.511 4.740 -0.000 0.000 0.196 117 N C 1.953 177.435 175.510 -0.046 0.000 1.043 117 N CA 2.389 55.399 53.050 -0.066 0.000 0.856 117 N CB -0.962 37.499 38.487 -0.043 0.000 1.042 117 N HN 0.827 nan 8.380 nan 0.000 0.423 118 H N 0.370 119.333 119.070 -0.178 0.000 2.321 118 H HA -0.020 4.536 4.556 -0.000 0.000 0.300 118 H C 2.142 177.399 175.328 -0.120 0.000 1.087 118 H CA 1.347 57.288 56.048 -0.177 0.000 1.319 118 H CB -0.103 29.574 29.762 -0.141 0.000 1.379 118 H HN 0.131 nan 8.280 nan 0.000 0.501 119 I N 0.684 121.128 120.570 -0.210 0.000 2.127 119 I HA -0.318 3.852 4.170 -0.000 0.000 0.241 119 I C 2.921 178.973 176.117 -0.109 0.000 1.075 119 I CA 1.384 62.574 61.300 -0.185 0.000 1.334 119 I CB -0.258 37.672 38.000 -0.117 0.000 1.040 119 I HN 0.249 nan 8.210 nan 0.000 0.405 120 R N 0.537 120.988 120.500 -0.082 0.000 2.083 120 R HA -0.182 4.158 4.340 -0.000 0.000 0.237 120 R C 2.583 178.899 176.300 0.027 0.000 1.137 120 R CA 1.983 58.076 56.100 -0.013 0.000 0.951 120 R CB -0.620 29.660 30.300 -0.032 0.000 0.851 120 R HN 0.516 nan 8.270 nan 0.000 0.434 121 S N 0.444 116.119 115.700 -0.041 0.000 2.382 121 S HA -0.099 4.370 4.470 -0.000 0.000 0.228 121 S C 2.160 176.719 174.600 -0.068 0.000 1.027 121 S CA 1.366 59.541 58.200 -0.042 0.000 0.991 121 S CB -0.511 62.662 63.200 -0.045 0.000 0.823 121 S HN 0.082 nan 8.310 nan 0.000 0.469 122 V N 0.773 120.594 119.914 -0.155 0.000 2.343 122 V HA -0.135 3.985 4.120 -0.000 0.000 0.247 122 V C 2.234 178.321 176.094 -0.013 0.000 1.051 122 V CA 1.814 64.029 62.300 -0.141 0.000 1.036 122 V CB -1.127 30.549 31.823 -0.244 0.000 0.654 122 V HN 0.707 nan 8.190 nan 0.000 0.451 123 W N 1.229 122.451 121.300 -0.131 0.000 2.338 123 W HA -0.159 4.501 4.660 -0.000 0.000 0.304 123 W C 2.326 178.804 176.519 -0.069 0.000 1.212 123 W CA 1.835 59.127 57.345 -0.088 0.000 1.264 123 W CB 0.032 29.445 29.460 -0.078 0.000 1.142 123 W HN 0.331 nan 8.180 nan 0.000 0.512 124 E N 0.075 120.297 120.200 0.038 0.000 2.150 124 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 124 E C 1.407 177.938 176.600 -0.115 0.000 0.985 124 E CA 1.575 57.950 56.400 -0.041 0.000 0.814 124 E CB -0.731 28.980 29.700 0.018 0.000 0.752 124 E HN 0.370 nan 8.360 nan 0.000 0.466 125 D N -0.056 120.281 120.400 -0.106 0.000 2.234 125 D HA -0.082 4.558 4.640 -0.000 0.000 0.205 125 D C 1.684 177.894 176.300 -0.148 0.000 0.962 125 D CA 0.197 54.136 54.000 -0.101 0.000 0.855 125 D CB 0.153 40.910 40.800 -0.072 0.000 0.951 125 D HN -0.049 nan 8.370 nan 0.000 0.500 126 L N 0.284 121.370 121.223 -0.228 0.000 2.083 126 L HA -0.068 4.272 4.340 -0.000 0.000 0.209 126 L C 2.118 178.814 176.870 -0.291 0.000 1.083 126 L CA 1.281 55.946 54.840 -0.291 0.000 0.752 126 L CB -0.711 41.077 42.059 -0.451 0.000 0.899 126 L HN 0.250 nan 8.230 nan 0.000 0.433 127 L N -1.667 119.367 121.223 -0.316 0.000 2.162 127 L HA -0.050 4.290 4.340 -0.000 0.000 0.205 127 L C 2.313 179.101 176.870 -0.137 0.000 1.086 127 L CA 0.628 55.328 54.840 -0.233 0.000 0.778 127 L CB -0.469 41.454 42.059 -0.226 0.000 0.928 127 L HN 0.188 nan 8.230 nan 0.000 0.446 128 E N -0.462 119.669 120.200 -0.114 0.000 2.230 128 E HA -0.029 4.321 4.350 -0.000 0.000 0.192 128 E C 0.117 176.678 176.600 -0.065 0.000 0.987 128 E CA 0.542 56.898 56.400 -0.072 0.000 0.841 128 E CB 0.186 29.854 29.700 -0.054 0.000 0.783 128 E HN 0.238 nan 8.360 nan 0.000 0.481 129 D N -0.402 119.952 120.400 -0.077 0.000 2.492 129 D HA 0.113 4.753 4.640 -0.000 0.000 0.248 129 D C -0.177 176.078 176.300 -0.074 0.000 1.101 129 D CA -0.183 53.780 54.000 -0.062 0.000 0.840 129 D CB 1.655 42.424 40.800 -0.051 0.000 1.209 129 D HN -0.256 nan 8.370 nan 0.000 0.524 130 T N 2.192 116.710 114.554 -0.060 0.000 3.054 130 T HA 0.091 4.441 4.350 -0.000 0.000 0.255 130 T C 0.971 175.642 174.700 -0.048 0.000 1.035 130 T CA 0.606 62.669 62.100 -0.061 0.000 0.941 130 T CB 0.306 69.144 68.868 -0.050 0.000 1.026 130 T HN 0.677 nan 8.240 nan 0.000 0.533 131 E N -1.482 118.694 120.200 -0.040 0.000 2.652 131 E HA 0.107 4.457 4.350 -0.000 0.000 0.197 131 E C -0.134 176.455 176.600 -0.017 0.000 0.936 131 E CA -0.154 56.230 56.400 -0.027 0.000 1.638 131 E CB -0.240 29.448 29.700 -0.020 0.000 1.884 131 E HN 0.120 nan 8.360 nan 0.000 1.005 132 T N 5.114 119.658 114.554 -0.017 0.000 2.778 132 T HA 0.109 4.459 4.350 -0.000 0.000 0.282 132 T C -2.434 172.264 174.700 -0.003 0.000 0.983 132 T CA -0.542 61.556 62.100 -0.004 0.000 1.193 132 T CB 0.342 69.208 68.868 -0.003 0.000 0.938 132 T HN 0.060 nan 8.240 nan 0.000 0.523 133 P HA 0.149 nan 4.420 nan 0.000 0.266 133 P C -0.172 177.124 177.300 -0.007 0.000 1.193 133 P CA -0.053 63.055 63.100 0.014 0.000 0.770 133 P CB 0.404 32.151 31.700 0.079 0.000 0.836 134 I N 2.017 122.565 120.570 -0.038 0.000 2.392 134 I HA 0.186 4.356 4.170 -0.000 0.000 0.295 134 I C 0.802 176.898 176.117 -0.035 0.000 0.985 134 I CA -0.680 60.602 61.300 -0.030 0.000 1.221 134 I CB 1.082 39.052 38.000 -0.050 0.000 1.366 134 I HN 0.286 nan 8.210 nan 0.000 0.467 135 D N 4.212 124.607 120.400 -0.009 0.000 2.399 135 D HA 0.172 4.811 4.640 -0.000 0.000 0.241 135 D C -0.438 175.828 176.300 -0.056 0.000 1.133 135 D CA 0.315 54.298 54.000 -0.027 0.000 0.890 135 D CB 0.873 41.671 40.800 -0.004 0.000 1.201 135 D HN 0.600 nan 8.370 nan 0.000 0.432 136 T N -0.677 113.820 114.554 -0.096 0.000 2.906 136 T HA 0.594 4.943 4.350 -0.000 0.000 0.295 136 T C -0.278 174.292 174.700 -0.217 0.000 1.061 136 T CA -0.961 61.050 62.100 -0.149 0.000 1.000 136 T CB 1.512 70.312 68.868 -0.113 0.000 1.103 136 T HN 0.195 nan 8.240 nan 0.000 0.486 137 T N 2.314 116.603 114.554 -0.441 0.000 2.829 137 T HA 0.585 4.934 4.350 -0.000 0.000 0.282 137 T C -0.427 174.039 174.700 -0.389 0.000 0.990 137 T CA -0.601 61.210 62.100 -0.482 0.000 1.028 137 T CB 0.724 69.130 68.868 -0.770 0.000 0.951 137 T HN 0.696 nan 8.240 nan 0.000 0.460 138 I N 4.257 124.754 120.570 -0.121 0.000 2.404 138 I HA 0.519 4.689 4.170 -0.000 0.000 0.293 138 I C -0.950 175.213 176.117 0.078 0.000 0.992 138 I CA -0.768 60.551 61.300 0.031 0.000 1.149 138 I CB 0.719 38.790 38.000 0.118 0.000 1.315 138 I HN 0.398 nan 8.210 nan 0.000 0.446 139 M N 6.045 125.739 119.600 0.157 0.000 2.572 139 M HA 0.508 4.988 4.480 -0.000 0.000 0.299 139 M C -0.409 175.965 176.300 0.124 0.000 1.205 139 M CA -0.575 54.818 55.300 0.155 0.000 0.876 139 M CB 1.856 34.602 32.600 0.243 0.000 1.728 139 M HN 0.593 nan 8.290 nan 0.000 0.458 140 A N 1.953 124.824 122.820 0.085 0.000 2.322 140 A HA 0.490 4.810 4.320 -0.000 0.000 0.269 140 A C -0.200 177.431 177.584 0.078 0.000 1.094 140 A CA -0.318 51.760 52.037 0.069 0.000 0.807 140 A CB 0.486 19.513 19.000 0.045 0.000 1.047 140 A HN 0.766 nan 8.150 nan 0.000 0.487 141 K N 0.884 121.329 120.400 0.075 0.000 2.159 141 K HA 0.387 4.706 4.320 -0.000 0.000 0.266 141 K C -0.436 176.189 176.600 0.041 0.000 0.975 141 K CA -0.194 56.130 56.287 0.060 0.000 0.865 141 K CB 1.178 33.719 32.500 0.070 0.000 1.087 141 K HN 0.579 nan 8.250 nan 0.000 0.446 142 S N 3.632 119.335 115.700 0.003 0.000 2.473 142 S HA 0.155 4.625 4.470 -0.000 0.000 0.312 142 S C -1.066 173.447 174.600 -0.144 0.000 1.087 142 S CA -0.537 57.634 58.200 -0.048 0.000 1.077 142 S CB 0.052 63.227 63.200 -0.041 0.000 1.065 142 S HN 0.527 nan 8.310 nan 0.000 0.510 143 E N 2.314 122.420 120.200 -0.156 0.000 2.212 143 E HA 0.434 4.784 4.350 -0.000 0.000 0.268 143 E C -0.802 175.419 176.600 -0.632 0.000 0.902 143 E CA -0.876 55.306 56.400 -0.364 0.000 0.779 143 E CB 2.168 31.731 29.700 -0.227 0.000 1.172 143 E HN 0.438 nan 8.360 nan 0.000 0.409 144 V N 2.996 122.359 119.914 -0.919 0.000 2.617 144 V HA 0.668 4.787 4.120 -0.000 0.000 0.298 144 V C -1.309 174.074 176.094 -1.184 0.000 1.048 144 V CA -0.015 61.713 62.300 -0.954 0.000 0.964 144 V CB 0.314 31.591 31.823 -0.911 0.000 1.004 144 V HN 0.632 nan 8.190 nan 0.000 0.466 145 F N 3.591 123.137 119.950 -0.674 0.000 2.754 145 F HA 0.653 5.180 4.527 -0.000 0.000 0.320 145 F C -0.133 175.434 175.800 -0.388 0.000 1.156 145 F CA -0.622 57.071 58.000 -0.512 0.000 0.950 145 F CB 1.414 40.096 39.000 -0.531 0.000 1.388 145 F HN 0.751 nan 8.300 nan 0.000 0.485 146 C N 2.465 121.848 119.300 0.138 0.000 2.376 146 C HA 0.812 5.272 4.460 -0.000 0.000 0.335 146 C C -0.044 175.151 174.990 0.343 0.000 1.229 146 C CA -0.668 58.471 59.018 0.203 0.000 1.867 146 C CB 0.291 28.103 27.740 0.120 0.000 2.319 146 C HN 0.701 nan 8.230 nan 0.000 0.515 147 V N 5.698 125.821 119.914 0.348 0.000 3.139 147 V HA 0.347 4.467 4.120 -0.000 0.000 0.307 147 V C 0.138 176.310 176.094 0.129 0.000 1.095 147 V CA 0.290 62.740 62.300 0.251 0.000 1.160 147 V CB 0.433 32.330 31.823 0.124 0.000 1.003 147 V HN 1.286 nan 8.190 nan 0.000 0.489 153 G N 0.198 108.962 108.800 -0.061 0.000 2.503 153 G HA2 0.580 4.540 3.960 -0.000 0.000 0.257 153 G HA3 0.580 4.540 3.960 -0.000 0.000 0.257 153 G C -0.239 174.587 174.900 -0.123 0.000 1.214 153 G CA -0.429 44.618 45.100 -0.088 0.000 0.839 153 G HN 0.315 nan 8.290 nan 0.000 0.559 154 R N 0.226 120.618 120.500 -0.180 0.000 2.740 154 R HA 0.326 4.666 4.340 -0.000 0.000 0.282 154 R C -0.312 175.935 176.300 -0.089 0.000 0.969 154 R CA -0.847 55.103 56.100 -0.251 0.000 0.918 154 R CB 2.256 32.194 30.300 -0.602 0.000 1.175 154 R HN 0.440 nan 8.270 nan 0.000 0.464 155 K N 3.016 123.418 120.400 0.003 0.000 2.350 155 K HA 0.182 4.502 4.320 -0.000 0.000 0.279 155 K C -2.071 174.524 176.600 -0.009 0.000 1.027 155 K CA -1.358 54.870 56.287 -0.098 0.000 0.969 155 K CB 0.448 32.704 32.500 -0.406 0.000 0.954 155 K HN 0.305 nan 8.250 nan 0.000 0.474 156 P HA 0.066 nan 4.420 nan 0.000 0.276 156 P C -0.916 176.408 177.300 0.039 0.000 1.244 156 P CA -0.550 62.557 63.100 0.012 0.000 0.801 156 P CB 0.775 32.468 31.700 -0.012 0.000 1.006 157 A N 3.257 126.114 122.820 0.063 0.000 2.540 157 A HA 0.033 4.353 4.320 -0.000 0.000 0.239 157 A C 0.652 178.278 177.584 0.070 0.000 1.061 157 A CA 0.053 52.141 52.037 0.084 0.000 0.758 157 A CB -0.479 18.562 19.000 0.068 0.000 0.991 157 A HN 0.453 nan 8.150 nan 0.000 0.502 158 R N 0.799 121.358 120.500 0.099 0.000 2.694 158 R HA 0.348 4.688 4.340 -0.000 0.000 0.268 158 R C -0.740 175.615 176.300 0.091 0.000 1.061 158 R CA -0.043 56.117 56.100 0.099 0.000 1.133 158 R CB 0.333 30.708 30.300 0.125 0.000 1.020 158 R HN 0.659 nan 8.270 nan 0.000 0.475 159 L N 3.523 124.804 121.223 0.095 0.000 2.296 159 L HA 0.401 4.741 4.340 -0.000 0.000 0.286 159 L C -0.477 176.482 176.870 0.149 0.000 1.023 159 L CA -0.860 54.041 54.840 0.102 0.000 0.812 159 L CB 1.407 43.506 42.059 0.066 0.000 1.223 159 L HN 0.438 nan 8.230 nan 0.000 0.421 160 I N 4.377 125.053 120.570 0.176 0.000 2.339 160 I HA 0.440 4.609 4.170 -0.000 0.000 0.290 160 I C -0.676 175.635 176.117 0.324 0.000 0.994 160 I CA -0.309 61.129 61.300 0.231 0.000 1.191 160 I CB 1.649 39.764 38.000 0.192 0.000 1.343 160 I HN 0.188 nan 8.210 nan 0.000 0.458 161 V N 9.210 129.314 119.914 0.317 0.000 2.448 161 V HA 0.627 4.747 4.120 -0.000 0.000 0.295 161 V C -0.728 175.565 176.094 0.332 0.000 1.025 161 V CA -0.435 62.018 62.300 0.254 0.000 0.859 161 V CB 1.257 33.201 31.823 0.202 0.000 0.988 161 V HN 0.613 nan 8.190 nan 0.000 0.431 162 F N 5.121 125.121 119.950 0.084 0.000 2.654 162 F HA 0.889 5.416 4.527 -0.000 0.000 0.308 162 F C -3.083 172.757 175.800 0.067 0.000 1.108 162 F CA -2.528 55.519 58.000 0.079 0.000 0.957 162 F CB 1.493 40.535 39.000 0.071 0.000 1.309 162 F HN 0.312 nan 8.300 nan 0.000 0.446 163 P HA 0.166 nan 4.420 nan 0.000 0.282 163 P C -0.999 176.409 177.300 0.180 0.000 1.287 163 P CA -0.125 63.030 63.100 0.091 0.000 0.792 163 P CB 1.043 32.806 31.700 0.105 0.000 1.163 164 D N -0.880 119.607 120.400 0.145 0.000 2.423 164 D HA -0.054 4.585 4.640 -0.000 0.000 0.238 164 D C 1.364 177.792 176.300 0.215 0.000 1.142 164 D CA -0.250 53.871 54.000 0.202 0.000 0.884 164 D CB 0.240 41.199 40.800 0.264 0.000 1.199 164 D HN 0.105 nan 8.370 nan 0.000 0.438 165 L N 3.753 125.093 121.223 0.195 0.000 2.034 165 L HA -0.093 4.247 4.340 -0.000 0.000 0.217 165 L C 2.074 179.059 176.870 0.191 0.000 1.077 165 L CA 2.697 57.632 54.840 0.159 0.000 0.769 165 L CB -1.121 40.986 42.059 0.079 0.000 0.890 165 L HN 0.671 nan 8.230 nan 0.000 0.435 166 G N -1.485 107.476 108.800 0.268 0.000 2.442 166 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.219 166 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.219 166 G C 1.498 176.427 174.900 0.048 0.000 1.141 166 G CA 1.079 46.281 45.100 0.170 0.000 0.763 166 G HN 0.384 nan 8.290 nan 0.000 0.554 167 V N 0.507 120.468 119.914 0.079 0.000 2.453 167 V HA -0.096 4.024 4.120 -0.000 0.000 0.247 167 V C 2.864 179.013 176.094 0.092 0.000 1.048 167 V CA 1.570 63.907 62.300 0.062 0.000 1.049 167 V CB -0.421 31.440 31.823 0.063 0.000 0.672 167 V HN 0.305 nan 8.190 nan 0.000 0.457 168 R N -0.118 120.449 120.500 0.112 0.000 2.081 168 R HA -0.114 4.226 4.340 -0.000 0.000 0.235 168 R C 2.258 178.606 176.300 0.079 0.000 1.131 168 R CA 1.437 57.602 56.100 0.108 0.000 0.960 168 R CB -0.584 29.778 30.300 0.104 0.000 0.856 168 R HN 0.422 nan 8.270 nan 0.000 0.436 169 V N 0.407 120.358 119.914 0.062 0.000 2.407 169 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 169 V C 2.490 178.606 176.094 0.037 0.000 1.055 169 V CA 1.492 63.805 62.300 0.021 0.000 1.049 169 V CB -0.476 31.351 31.823 0.006 0.000 0.662 169 V HN 0.446 nan 8.190 nan 0.000 0.455 170 C N -0.142 119.218 119.300 0.100 0.000 2.429 170 C HA -0.146 4.314 4.460 -0.000 0.000 0.277 170 C C 2.675 177.823 174.990 0.264 0.000 1.262 170 C CA 0.925 60.085 59.018 0.238 0.000 1.733 170 C CB -0.963 26.968 27.740 0.318 0.000 2.010 170 C HN 0.621 nan 8.230 nan 0.000 0.483 171 E N 0.770 121.079 120.200 0.182 0.000 2.070 171 E HA -0.261 4.089 4.350 -0.000 0.000 0.197 171 E C 2.153 178.855 176.600 0.170 0.000 1.004 171 E CA 1.404 57.918 56.400 0.190 0.000 0.805 171 E CB -0.165 29.652 29.700 0.195 0.000 0.744 171 E HN 0.638 nan 8.360 nan 0.000 0.451 172 K N 0.167 120.636 120.400 0.116 0.000 2.057 172 K HA -0.108 4.212 4.320 -0.000 0.000 0.207 172 K C 2.209 178.856 176.600 0.079 0.000 1.049 172 K CA 1.309 57.650 56.287 0.090 0.000 0.931 172 K CB -0.111 32.362 32.500 -0.044 0.000 0.714 172 K HN 0.128 nan 8.250 nan 0.000 0.440 173 M N 0.152 119.765 119.600 0.022 0.000 2.117 173 M HA -0.172 4.308 4.480 -0.000 0.000 0.262 173 M C 2.390 178.728 176.300 0.064 0.000 1.065 173 M CA 1.741 57.000 55.300 -0.068 0.000 1.114 173 M CB -0.256 32.133 32.600 -0.351 0.000 1.361 173 M HN 0.235 nan 8.290 nan 0.000 0.408 174 A N -0.622 122.337 122.820 0.233 0.000 1.935 174 A HA 0.060 4.380 4.320 -0.000 0.000 0.214 174 A C 1.854 179.524 177.584 0.144 0.000 1.178 174 A CA 1.064 53.271 52.037 0.283 0.000 0.640 174 A CB -0.181 19.026 19.000 0.344 0.000 0.825 174 A HN 0.474 nan 8.150 nan 0.000 0.447 175 L N -3.004 118.292 121.223 0.121 0.000 2.878 175 L HA 0.183 4.522 4.340 -0.000 0.000 0.253 175 L C 1.968 178.863 176.870 0.042 0.000 1.135 175 L CA 0.085 54.939 54.840 0.024 0.000 0.943 175 L CB 0.019 42.072 42.059 -0.010 0.000 1.307 175 L HN 0.475 nan 8.230 nan 0.000 0.545 176 Y N 1.382 121.686 120.300 0.006 0.000 2.128 176 Y HA -0.334 4.216 4.550 -0.000 0.000 0.284 176 Y C 2.202 178.122 175.900 0.034 0.000 1.154 176 Y CA 2.220 60.337 58.100 0.028 0.000 1.149 176 Y CB 0.041 38.506 38.460 0.008 0.000 0.976 176 Y HN 0.199 nan 8.280 nan 0.000 0.505 177 D N -0.767 119.657 120.400 0.039 0.000 2.178 177 D HA -0.147 4.492 4.640 -0.000 0.000 0.202 177 D C 2.181 178.411 176.300 -0.117 0.000 0.974 177 D CA 1.236 55.201 54.000 -0.058 0.000 0.841 177 D CB -0.119 40.701 40.800 0.032 0.000 0.953 177 D HN 0.281 nan 8.370 nan 0.000 0.478 178 V N -0.233 119.616 119.914 -0.108 0.000 2.270 178 V HA -0.196 3.924 4.120 -0.000 0.000 0.245 178 V C 2.631 178.611 176.094 -0.190 0.000 1.043 178 V CA 1.188 63.402 62.300 -0.143 0.000 1.014 178 V CB -0.493 31.205 31.823 -0.209 0.000 0.645 178 V HN 0.095 nan 8.190 nan 0.000 0.447 179 V N 0.085 119.863 119.914 -0.227 0.000 2.568 179 V HA -0.224 3.895 4.120 -0.000 0.000 0.253 179 V C 2.432 178.371 176.094 -0.259 0.000 1.072 179 V CA 2.237 64.403 62.300 -0.223 0.000 1.084 179 V CB -0.517 31.210 31.823 -0.160 0.000 0.676 179 V HN 0.562 nan 8.190 nan 0.000 0.469 180 S N -1.073 114.459 115.700 -0.281 0.000 2.489 180 S HA -0.071 4.399 4.470 -0.000 0.000 0.228 180 S C 1.748 176.244 174.600 -0.173 0.000 0.995 180 S CA 1.416 59.466 58.200 -0.250 0.000 0.934 180 S CB 0.082 63.075 63.200 -0.344 0.000 0.771 180 S HN 0.726 nan 8.310 nan 0.000 0.522 181 T N 0.318 114.766 114.554 -0.177 0.000 3.098 181 T HA 0.277 4.627 4.350 -0.000 0.000 0.256 181 T C 1.406 176.008 174.700 -0.163 0.000 0.921 181 T CA -0.279 61.738 62.100 -0.138 0.000 0.916 181 T CB -0.058 68.754 68.868 -0.093 0.000 1.246 181 T HN 0.174 nan 8.240 nan 0.000 0.511 182 L N 2.012 123.134 121.223 -0.168 0.000 2.072 182 L HA 0.135 4.475 4.340 -0.000 0.000 0.205 182 L C -1.165 175.550 176.870 -0.260 0.000 1.079 182 L CA 1.128 55.879 54.840 -0.149 0.000 0.752 182 L CB -0.604 41.423 42.059 -0.053 0.000 0.906 182 L HN 0.055 nan 8.230 nan 0.000 0.436 183 P HA -0.260 nan 4.420 nan 0.000 0.216 183 P C 1.266 178.125 177.300 -0.735 0.000 1.153 183 P CA 1.644 64.312 63.100 -0.719 0.000 0.858 183 P CB 0.008 30.941 31.700 -1.278 0.000 0.789 184 Q N -0.694 118.749 119.800 -0.595 0.000 2.083 184 Q HA -0.083 4.257 4.340 -0.000 0.000 0.198 184 Q C 2.064 177.939 176.000 -0.207 0.000 0.969 184 Q CA 1.505 57.124 55.803 -0.307 0.000 0.838 184 Q CB -0.712 27.942 28.738 -0.141 0.000 0.900 184 Q HN 0.063 nan 8.270 nan 0.000 0.436 185 A N -0.104 122.604 122.820 -0.185 0.000 1.940 185 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 185 A C 2.135 179.639 177.584 -0.134 0.000 1.176 185 A CA 1.699 53.661 52.037 -0.125 0.000 0.631 185 A CB -0.615 18.325 19.000 -0.100 0.000 0.814 185 A HN 0.317 nan 8.150 nan 0.000 0.446 186 V N -1.046 118.751 119.914 -0.194 0.000 2.379 186 V HA -0.127 3.993 4.120 -0.000 0.000 0.243 186 V C 2.339 178.278 176.094 -0.258 0.000 1.035 186 V CA 2.078 64.258 62.300 -0.201 0.000 1.035 186 V CB -0.457 31.227 31.823 -0.231 0.000 0.673 186 V HN 0.575 nan 8.190 nan 0.000 0.457 187 M N -1.039 118.333 119.600 -0.380 0.000 2.337 187 M HA 0.408 4.888 4.480 -0.000 0.000 0.256 187 M C 1.360 177.555 176.300 -0.175 0.000 1.075 187 M CA 0.750 55.750 55.300 -0.500 0.000 1.024 187 M CB 0.559 32.667 32.600 -0.820 0.000 1.429 187 M HN 0.437 nan 8.290 nan 0.000 0.497 188 G N 1.500 110.227 108.800 -0.122 0.000 2.574 188 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.286 188 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.286 188 G C 0.795 175.674 174.900 -0.035 0.000 1.212 188 G CA 0.654 45.728 45.100 -0.044 0.000 0.979 188 G HN 0.533 nan 8.290 nan 0.000 0.557 189 S N -0.590 115.121 115.700 0.017 0.000 2.547 189 S HA 0.127 4.596 4.470 -0.000 0.000 0.235 189 S C 2.082 176.595 174.600 -0.145 0.000 0.980 189 S CA 1.791 59.981 58.200 -0.016 0.000 0.941 189 S CB 0.028 63.322 63.200 0.158 0.000 0.763 189 S HN 1.003 nan 8.310 nan 0.000 0.532 190 S N 0.270 115.972 115.700 0.004 0.000 2.561 190 S HA 0.149 4.618 4.470 -0.000 0.000 0.225 190 S C 0.117 174.712 174.600 -0.008 0.000 0.977 190 S CA -0.198 58.036 58.200 0.057 0.000 0.926 190 S CB -0.355 63.011 63.200 0.277 0.000 0.769 190 S HN 0.703 nan 8.310 nan 0.000 0.533 191 Y N 2.610 122.768 120.300 -0.236 0.000 2.486 191 Y HA 0.500 5.050 4.550 -0.000 0.000 0.348 191 Y C 1.206 176.874 175.900 -0.386 0.000 1.000 191 Y CA -1.352 56.576 58.100 -0.286 0.000 1.253 191 Y CB 0.258 38.554 38.460 -0.274 0.000 1.140 191 Y HN 0.044 nan 8.280 nan 0.000 0.526 192 G N 4.423 112.754 108.800 -0.782 0.000 2.430 192 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 192 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 192 G C 1.039 175.446 174.900 -0.821 0.000 1.146 192 G CA 0.150 44.849 45.100 -0.669 0.000 0.793 192 G HN 0.644 nan 8.290 nan 0.000 0.537 193 F N 1.653 120.936 119.950 -1.112 0.000 2.641 193 F HA 0.018 4.545 4.527 -0.000 0.000 0.298 193 F C 2.793 178.384 175.800 -0.347 0.000 1.146 193 F CA 0.967 58.435 58.000 -0.886 0.000 1.464 193 F CB -0.202 38.246 39.000 -0.920 0.000 1.101 193 F HN 0.369 nan 8.300 nan 0.000 0.585 194 Q N -1.154 118.408 119.800 -0.396 0.000 2.482 194 Q HA -0.068 4.272 4.340 -0.000 0.000 0.209 194 Q C -0.673 175.209 176.000 -0.195 0.000 0.961 194 Q CA 0.763 56.425 55.803 -0.236 0.000 0.945 194 Q CB -0.372 28.142 28.738 -0.373 0.000 1.012 194 Q HN 0.280 nan 8.270 nan 0.000 0.515 195 Y N 1.736 122.089 120.300 0.087 0.000 2.341 195 Y HA 0.321 4.870 4.550 -0.000 0.000 0.337 195 Y C 0.496 176.292 175.900 -0.173 0.000 1.014 195 Y CA -1.712 56.370 58.100 -0.031 0.000 1.111 195 Y CB 1.388 39.783 38.460 -0.108 0.000 1.194 195 Y HN 0.109 nan 8.280 nan 0.000 0.462 196 S N 3.273 118.771 115.700 -0.336 0.000 2.596 196 S HA 0.150 4.620 4.470 -0.000 0.000 0.260 196 S C -1.930 172.354 174.600 -0.526 0.000 1.336 196 S CA -0.917 56.658 58.200 -1.041 0.000 0.993 196 S CB 1.003 63.733 63.200 -0.783 0.000 0.923 196 S HN 0.432 nan 8.310 nan 0.000 0.567 197 P HA -0.139 nan 4.420 nan 0.000 0.215 197 P C 1.502 178.710 177.300 -0.153 0.000 1.157 197 P CA 1.461 64.408 63.100 -0.256 0.000 0.874 197 P CB -0.022 31.527 31.700 -0.251 0.000 0.790 198 K N 0.099 120.377 120.400 -0.203 0.000 2.044 198 K HA -0.237 4.083 4.320 -0.000 0.000 0.210 198 K C 2.138 178.681 176.600 -0.096 0.000 1.049 198 K CA 1.715 57.940 56.287 -0.103 0.000 0.927 198 K CB -0.390 32.034 32.500 -0.128 0.000 0.713 198 K HN 0.102 nan 8.250 nan 0.000 0.443 199 Q N -0.260 119.467 119.800 -0.122 0.000 2.224 199 Q HA -0.128 4.212 4.340 -0.000 0.000 0.203 199 Q C 2.211 178.062 176.000 -0.248 0.000 0.970 199 Q CA 1.204 56.950 55.803 -0.096 0.000 0.865 199 Q CB -0.023 28.744 28.738 0.048 0.000 0.922 199 Q HN 0.312 nan 8.270 nan 0.000 0.445 200 R N 0.336 120.712 120.500 -0.206 0.000 2.073 200 R HA -0.084 4.255 4.340 -0.000 0.000 0.229 200 R C 2.245 178.461 176.300 -0.139 0.000 1.120 200 R CA 0.968 56.919 56.100 -0.249 0.000 0.967 200 R CB -0.290 29.963 30.300 -0.079 0.000 0.862 200 R HN 0.199 nan 8.270 nan 0.000 0.436 201 V N 1.395 121.256 119.914 -0.089 0.000 2.343 201 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 201 V C 2.069 178.098 176.094 -0.109 0.000 1.051 201 V CA 2.467 64.723 62.300 -0.074 0.000 1.036 201 V CB -0.335 31.483 31.823 -0.007 0.000 0.654 201 V HN 0.514 nan 8.190 nan 0.000 0.451 202 E N -1.050 119.094 120.200 -0.093 0.000 2.085 202 E HA -0.275 4.075 4.350 -0.000 0.000 0.194 202 E C 2.037 178.573 176.600 -0.107 0.000 0.994 202 E CA 1.945 58.292 56.400 -0.088 0.000 0.801 202 E CB -0.358 29.306 29.700 -0.059 0.000 0.743 202 E HN 0.708 nan 8.360 nan 0.000 0.453 203 F N 1.045 120.816 119.950 -0.298 0.000 2.075 203 F HA -0.149 4.377 4.527 -0.000 0.000 0.297 203 F C 1.963 177.641 175.800 -0.202 0.000 1.113 203 F CA 1.385 59.196 58.000 -0.314 0.000 1.218 203 F CB -0.338 38.303 39.000 -0.599 0.000 0.984 203 F HN -0.006 nan 8.300 nan 0.000 0.472 204 L N -0.703 120.413 121.223 -0.179 0.000 2.012 204 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 204 L C 2.377 179.118 176.870 -0.215 0.000 1.073 204 L CA 1.208 55.926 54.840 -0.204 0.000 0.748 204 L CB -0.841 41.149 42.059 -0.116 0.000 0.891 204 L HN 0.034 nan 8.230 nan 0.000 0.431 205 V N -0.069 119.697 119.914 -0.247 0.000 2.307 205 V HA -0.272 3.848 4.120 -0.000 0.000 0.245 205 V C 2.008 177.993 176.094 -0.181 0.000 1.045 205 V CA 2.130 64.260 62.300 -0.283 0.000 1.024 205 V CB -0.688 30.831 31.823 -0.506 0.000 0.651 205 V HN 0.500 nan 8.190 nan 0.000 0.449 206 N N -0.451 118.126 118.700 -0.204 0.000 2.166 206 N HA -0.164 4.576 4.740 -0.000 0.000 0.186 206 N C 1.773 177.155 175.510 -0.213 0.000 1.019 206 N CA 1.667 54.611 53.050 -0.175 0.000 0.856 206 N CB -0.143 38.251 38.487 -0.154 0.000 0.993 206 N HN 0.448 nan 8.380 nan 0.000 0.426 207 T N 0.256 114.604 114.554 -0.343 0.000 2.737 207 T HA -0.173 4.177 4.350 -0.000 0.000 0.265 207 T C 1.332 175.936 174.700 -0.159 0.000 1.038 207 T CA 0.696 62.586 62.100 -0.349 0.000 1.144 207 T CB -0.297 68.230 68.868 -0.568 0.000 0.866 207 T HN 0.447 nan 8.240 nan 0.000 0.434 208 W N 2.318 123.458 121.300 -0.267 0.000 2.358 208 W HA -0.107 4.553 4.660 -0.000 0.000 0.303 208 W C 1.807 178.238 176.519 -0.146 0.000 1.208 208 W CA 1.221 58.453 57.345 -0.189 0.000 1.274 208 W CB -0.148 29.197 29.460 -0.192 0.000 1.138 208 W HN 0.271 nan 8.180 nan 0.000 0.515 209 K N 0.254 120.647 120.400 -0.011 0.000 2.155 209 K HA -0.134 4.185 4.320 -0.000 0.000 0.203 209 K C 2.238 178.763 176.600 -0.125 0.000 1.052 209 K CA 1.654 57.904 56.287 -0.062 0.000 0.948 209 K CB -0.415 32.071 32.500 -0.022 0.000 0.728 209 K HN 0.053 nan 8.250 nan 0.000 0.448 210 S N 0.876 116.494 115.700 -0.137 0.000 2.442 210 S HA -0.078 4.392 4.470 -0.000 0.000 0.236 210 S C 0.642 175.151 174.600 -0.153 0.000 1.007 210 S CA 0.737 58.859 58.200 -0.130 0.000 0.965 210 S CB -0.061 63.061 63.200 -0.130 0.000 0.773 210 S HN -0.028 nan 8.310 nan 0.000 0.504 211 K N 2.303 122.567 120.400 -0.226 0.000 2.297 211 K HA 0.334 4.654 4.320 -0.000 0.000 0.286 211 K C 0.945 177.415 176.600 -0.217 0.000 1.053 211 K CA -0.345 55.797 56.287 -0.243 0.000 0.940 211 K CB 0.998 33.286 32.500 -0.353 0.000 1.019 211 K HN 0.128 nan 8.250 nan 0.000 0.475 212 K N 1.380 121.691 120.400 -0.150 0.000 2.000 212 K HA -0.181 4.139 4.320 -0.000 0.000 0.218 212 K C -0.094 176.427 176.600 -0.132 0.000 1.053 212 K CA 1.574 57.793 56.287 -0.114 0.000 0.946 212 K CB 0.003 32.455 32.500 -0.081 0.000 0.723 212 K HN 0.587 nan 8.250 nan 0.000 0.446 213 C N 2.913 122.125 119.300 -0.146 0.000 2.534 213 C HA 0.487 4.947 4.460 -0.000 0.000 0.309 213 C C -2.682 172.181 174.990 -0.211 0.000 1.072 213 C CA -2.313 56.620 59.018 -0.142 0.000 1.441 213 C CB 0.876 28.573 27.740 -0.071 0.000 1.906 213 C HN 0.297 nan 8.230 nan 0.000 0.429 214 P HA 0.275 nan 4.420 nan 0.000 0.279 214 P C -0.760 176.269 177.300 -0.452 0.000 1.239 214 P CA -0.011 62.638 63.100 -0.752 0.000 0.789 214 P CB 1.143 31.701 31.700 -1.903 0.000 0.933 215 M N 2.109 121.506 119.600 -0.339 0.000 2.457 215 M HA 0.674 5.154 4.480 -0.000 0.000 0.300 215 M C -1.071 175.226 176.300 -0.005 0.000 1.141 215 M CA -0.351 54.836 55.300 -0.187 0.000 0.901 215 M CB 2.550 35.033 32.600 -0.195 0.000 1.687 215 M HN 0.588 nan 8.290 nan 0.000 0.449 216 G N 3.195 112.108 108.800 0.187 0.000 2.672 216 G HA2 0.844 4.804 3.960 -0.000 0.000 0.292 216 G HA3 0.844 4.804 3.960 -0.000 0.000 0.292 216 G C -1.945 173.111 174.900 0.259 0.000 1.375 216 G CA -0.589 44.661 45.100 0.251 0.000 0.890 216 G HN 0.802 nan 8.290 nan 0.000 0.476 217 F N -0.878 119.041 119.950 -0.052 0.000 2.713 217 F HA 0.816 5.343 4.527 -0.000 0.000 0.311 217 F C -0.409 175.375 175.800 -0.027 0.000 1.141 217 F CA -1.554 56.410 58.000 -0.061 0.000 0.939 217 F CB 1.304 40.246 39.000 -0.096 0.000 1.325 217 F HN 0.695 nan 8.300 nan 0.000 0.453 218 S N 0.600 116.336 115.700 0.061 0.000 2.501 218 S HA 0.667 5.137 4.470 -0.000 0.000 0.301 218 S C -1.722 173.015 174.600 0.229 0.000 1.096 218 S CA -0.599 57.612 58.200 0.018 0.000 1.063 218 S CB 1.698 64.914 63.200 0.026 0.000 1.042 218 S HN 0.887 nan 8.310 nan 0.000 0.494 219 Y N 1.549 121.914 120.300 0.108 0.000 2.328 219 Y HA 0.456 5.006 4.550 -0.000 0.000 0.333 219 Y C -0.805 175.207 175.900 0.187 0.000 0.958 219 Y CA -0.647 57.600 58.100 0.244 0.000 1.167 219 Y CB 1.252 39.954 38.460 0.403 0.000 1.151 219 Y HN 0.896 nan 8.280 nan 0.000 0.470 220 D N 4.486 124.814 120.400 -0.120 0.000 2.329 220 D HA 0.216 4.856 4.640 -0.000 0.000 0.232 220 D C -0.396 175.833 176.300 -0.118 0.000 1.088 220 D CA -0.293 53.686 54.000 -0.035 0.000 0.835 220 D CB 0.923 41.706 40.800 -0.028 0.000 1.078 220 D HN 0.553 nan 8.370 nan 0.000 0.495 221 T N 1.244 115.891 114.554 0.155 0.000 2.904 221 T HA 0.254 4.604 4.350 -0.000 0.000 0.290 221 T C 0.428 175.221 174.700 0.155 0.000 1.018 221 T CA -0.999 61.228 62.100 0.212 0.000 1.075 221 T CB 1.131 70.265 68.868 0.443 0.000 0.986 221 T HN 0.418 nan 8.240 nan 0.000 0.523 222 R N 1.740 122.297 120.500 0.096 0.000 2.296 222 R HA 0.305 4.645 4.340 -0.000 0.000 0.323 222 R C -0.429 175.964 176.300 0.156 0.000 1.067 222 R CA -0.422 55.719 56.100 0.070 0.000 0.946 222 R CB -0.836 29.444 30.300 -0.033 0.000 0.991 222 R HN 0.930 nan 8.270 nan 0.000 0.448 223 C N 5.785 125.211 119.300 0.211 0.000 2.735 223 C HA -0.163 4.297 4.460 -0.000 0.000 0.256 223 C C 1.242 176.438 174.990 0.344 0.000 1.159 223 C CA 0.081 59.281 59.018 0.303 0.000 2.626 223 C CB -2.585 25.403 27.740 0.413 0.000 1.597 223 C HN 1.037 nan 8.230 nan 0.000 0.412 224 F N 1.776 121.850 119.950 0.207 0.000 2.046 224 F HA -0.140 4.387 4.527 -0.000 0.000 0.297 224 F C 1.983 177.899 175.800 0.192 0.000 1.123 224 F CA 2.335 60.455 58.000 0.200 0.000 1.199 224 F CB -0.013 39.091 39.000 0.174 0.000 0.972 224 F HN 0.543 nan 8.300 nan 0.000 0.474 225 D N -0.288 120.364 120.400 0.419 0.000 2.133 225 D HA -0.182 4.458 4.640 -0.000 0.000 0.195 225 D C 2.414 178.803 176.300 0.148 0.000 0.997 225 D CA 1.803 55.980 54.000 0.294 0.000 0.840 225 D CB -0.579 40.390 40.800 0.281 0.000 0.947 225 D HN 0.246 nan 8.370 nan 0.000 0.452 226 S N -0.486 115.317 115.700 0.172 0.000 2.428 226 S HA -0.100 4.369 4.470 -0.000 0.000 0.230 226 S C 2.031 176.570 174.600 -0.102 0.000 1.014 226 S CA 1.401 59.609 58.200 0.014 0.000 0.957 226 S CB -0.228 63.000 63.200 0.047 0.000 0.784 226 S HN 0.524 nan 8.310 nan 0.000 0.499 227 T N -0.478 114.114 114.554 0.062 0.000 3.088 227 T HA 0.143 4.493 4.350 -0.000 0.000 0.259 227 T C 0.633 175.274 174.700 -0.099 0.000 1.122 227 T CA -0.010 62.119 62.100 0.048 0.000 1.095 227 T CB -0.423 68.459 68.868 0.024 0.000 0.930 227 T HN 0.043 nan 8.240 nan 0.000 0.508 228 V N 4.249 124.081 119.914 -0.138 0.000 2.450 228 V HA 0.244 4.364 4.120 -0.000 0.000 0.281 228 V C 1.214 177.266 176.094 -0.069 0.000 1.019 228 V CA -0.116 62.123 62.300 -0.101 0.000 1.062 228 V CB -0.236 31.576 31.823 -0.018 0.000 0.979 228 V HN 0.728 nan 8.190 nan 0.000 0.477 229 T N 1.006 115.529 114.554 -0.051 0.000 2.874 229 T HA 0.266 4.616 4.350 -0.000 0.000 0.281 229 T C 1.130 175.812 174.700 -0.029 0.000 0.994 229 T CA -0.039 62.033 62.100 -0.048 0.000 1.015 229 T CB 1.348 70.193 68.868 -0.040 0.000 1.028 229 T HN 0.731 nan 8.240 nan 0.000 0.523 230 E N 0.711 120.893 120.200 -0.031 0.000 2.065 230 E HA -0.252 4.097 4.350 -0.000 0.000 0.201 230 E C 2.198 178.797 176.600 -0.001 0.000 1.016 230 E CA 1.904 58.297 56.400 -0.012 0.000 0.818 230 E CB -0.540 29.151 29.700 -0.015 0.000 0.749 230 E HN 0.711 nan 8.360 nan 0.000 0.453 231 S N 0.389 116.082 115.700 -0.012 0.000 2.369 231 S HA -0.258 4.212 4.470 -0.000 0.000 0.225 231 S C 1.673 176.281 174.600 0.012 0.000 1.043 231 S CA 1.960 60.156 58.200 -0.008 0.000 1.074 231 S CB -0.698 62.483 63.200 -0.032 0.000 0.962 231 S HN 0.385 nan 8.310 nan 0.000 0.433 232 D N 0.992 121.402 120.400 0.017 0.000 2.133 232 D HA -0.114 4.526 4.640 -0.000 0.000 0.192 232 D C 1.910 178.228 176.300 0.029 0.000 1.001 232 D CA 1.591 55.618 54.000 0.045 0.000 0.844 232 D CB -0.478 40.344 40.800 0.037 0.000 0.944 232 D HN 0.521 nan 8.370 nan 0.000 0.447 233 I N 0.567 121.152 120.570 0.025 0.000 2.252 233 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 233 I C 2.556 178.686 176.117 0.022 0.000 1.102 233 I CA 0.866 62.185 61.300 0.033 0.000 1.385 233 I CB -0.091 37.947 38.000 0.063 0.000 1.064 233 I HN -0.100 nan 8.210 nan 0.000 0.414 234 R N 0.176 120.690 120.500 0.023 0.000 2.096 234 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 234 R C 2.320 178.608 176.300 -0.020 0.000 1.127 234 R CA 1.202 57.311 56.100 0.015 0.000 0.968 234 R CB -0.507 29.803 30.300 0.016 0.000 0.861 234 R HN 0.238 nan 8.270 nan 0.000 0.440 235 V N 1.465 121.367 119.914 -0.019 0.000 2.407 235 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 235 V C 1.964 177.972 176.094 -0.144 0.000 1.055 235 V CA 1.833 64.108 62.300 -0.041 0.000 1.049 235 V CB -0.422 31.417 31.823 0.027 0.000 0.662 235 V HN 0.359 nan 8.190 nan 0.000 0.455 236 E N -0.191 119.896 120.200 -0.189 0.000 2.077 236 E HA -0.265 4.085 4.350 -0.000 0.000 0.193 236 E C 2.302 178.464 176.600 -0.731 0.000 0.989 236 E CA 1.372 57.501 56.400 -0.451 0.000 0.800 236 E CB -0.179 29.301 29.700 -0.368 0.000 0.746 236 E HN 0.670 nan 8.360 nan 0.000 0.452 237 E N 0.719 120.729 120.200 -0.316 0.000 2.085 237 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 237 E C 2.124 178.665 176.600 -0.099 0.000 0.994 237 E CA 1.567 57.914 56.400 -0.088 0.000 0.801 237 E CB -0.019 29.730 29.700 0.081 0.000 0.743 237 E HN 0.220 nan 8.360 nan 0.000 0.453 238 S N 0.142 115.776 115.700 -0.110 0.000 2.419 238 S HA -0.129 4.341 4.470 -0.000 0.000 0.233 238 S C 2.026 176.573 174.600 -0.087 0.000 1.016 238 S CA 0.919 59.081 58.200 -0.064 0.000 0.974 238 S CB -0.465 62.705 63.200 -0.049 0.000 0.786 238 S HN 0.329 nan 8.310 nan 0.000 0.492 239 I N 0.063 120.520 120.570 -0.188 0.000 2.163 239 I HA -0.119 4.051 4.170 -0.000 0.000 0.240 239 I C 2.270 178.350 176.117 -0.063 0.000 1.081 239 I CA 1.321 62.517 61.300 -0.174 0.000 1.353 239 I CB -0.604 37.230 38.000 -0.276 0.000 1.054 239 I HN 0.232 nan 8.210 nan 0.000 0.407 240 Y N 1.154 121.441 120.300 -0.020 0.000 2.256 240 Y HA -0.231 4.318 4.550 -0.000 0.000 0.288 240 Y C 2.614 178.513 175.900 -0.001 0.000 1.155 240 Y CA 0.715 58.807 58.100 -0.012 0.000 1.203 240 Y CB -1.031 37.432 38.460 0.005 0.000 0.980 240 Y HN 0.278 nan 8.280 nan 0.000 0.530 241 Q N -1.381 118.502 119.800 0.138 0.000 2.436 241 Q HA -0.078 4.262 4.340 -0.000 0.000 0.209 241 Q C 2.200 178.230 176.000 0.050 0.000 0.965 241 Q CA 0.785 56.639 55.803 0.084 0.000 0.910 241 Q CB -0.602 28.170 28.738 0.057 0.000 0.980 241 Q HN 0.526 nan 8.270 nan 0.000 0.491 242 C N 0.147 119.470 119.300 0.038 0.000 2.448 242 C HA 0.002 4.462 4.460 -0.000 0.000 0.280 242 C C 1.527 176.533 174.990 0.027 0.000 1.398 242 C CA -0.754 58.276 59.018 0.021 0.000 1.774 242 C CB -0.742 27.000 27.740 0.003 0.000 1.888 242 C HN 0.383 nan 8.230 nan 0.000 0.519 243 C N 1.746 121.073 119.300 0.045 0.000 2.689 243 C HA 0.207 4.667 4.460 -0.000 0.000 0.409 243 C C 0.468 175.477 174.990 0.031 0.000 1.293 243 C CA -0.311 58.728 59.018 0.035 0.000 2.136 243 C CB -0.453 27.313 27.740 0.043 0.000 2.719 243 C HN 0.530 nan 8.230 nan 0.000 0.644 244 D N 0.948 121.361 120.400 0.023 0.000 2.390 244 D HA 0.536 5.176 4.640 -0.000 0.000 0.249 244 D C -0.838 175.480 176.300 0.030 0.000 1.144 244 D CA 0.384 54.398 54.000 0.023 0.000 0.880 244 D CB 0.295 41.105 40.800 0.017 0.000 1.182 244 D HN 0.401 nan 8.370 nan 0.000 0.451 245 L N 2.523 123.767 121.223 0.035 0.000 2.513 245 L HA 0.540 4.880 4.340 -0.000 0.000 0.261 245 L C -0.224 176.675 176.870 0.049 0.000 0.945 245 L CA -1.401 53.467 54.840 0.046 0.000 0.848 245 L CB 1.896 43.987 42.059 0.053 0.000 1.334 245 L HN 0.485 nan 8.230 nan 0.000 0.407 246 A N 3.693 126.549 122.820 0.060 0.000 2.561 246 A HA 0.279 4.599 4.320 -0.000 0.000 0.234 246 A C -1.490 176.137 177.584 0.072 0.000 1.055 246 A CA -0.622 51.455 52.037 0.067 0.000 0.756 246 A CB -0.276 18.775 19.000 0.084 0.000 0.986 246 A HN 0.634 nan 8.150 nan 0.000 0.505 247 P HA -0.214 nan 4.420 nan 0.000 0.216 247 P C 0.976 178.303 177.300 0.045 0.000 1.154 247 P CA 1.802 64.927 63.100 0.043 0.000 0.865 247 P CB 0.101 31.821 31.700 0.035 0.000 0.789 248 E N -0.528 119.725 120.200 0.089 0.000 2.107 248 E HA -0.066 4.284 4.350 -0.000 0.000 0.191 248 E C 2.189 178.846 176.600 0.095 0.000 0.982 248 E CA 0.952 57.410 56.400 0.097 0.000 0.809 248 E CB -0.429 29.433 29.700 0.269 0.000 0.756 248 E HN 0.166 nan 8.360 nan 0.000 0.459 249 A N 1.725 124.666 122.820 0.202 0.000 1.902 249 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 249 A C 2.116 179.741 177.584 0.068 0.000 1.181 249 A CA 1.474 53.629 52.037 0.196 0.000 0.623 249 A CB -0.442 18.670 19.000 0.187 0.000 0.818 249 A HN 0.069 nan 8.150 nan 0.000 0.443 250 R N -0.981 119.548 120.500 0.049 0.000 2.081 250 R HA -0.211 4.129 4.340 -0.000 0.000 0.235 250 R C 2.409 178.703 176.300 -0.009 0.000 1.131 250 R CA 1.924 58.042 56.100 0.029 0.000 0.960 250 R CB -0.234 30.083 30.300 0.029 0.000 0.856 250 R HN 0.540 nan 8.270 nan 0.000 0.436 251 Q N 0.196 119.966 119.800 -0.051 0.000 2.079 251 Q HA -0.042 4.298 4.340 -0.000 0.000 0.200 251 Q C 1.780 177.685 176.000 -0.157 0.000 0.974 251 Q CA 2.021 57.765 55.803 -0.098 0.000 0.840 251 Q CB -0.258 28.405 28.738 -0.126 0.000 0.898 251 Q HN 0.420 nan 8.270 nan 0.000 0.430 252 A N 0.330 123.008 122.820 -0.237 0.000 1.883 252 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 252 A C 2.151 179.656 177.584 -0.132 0.000 1.186 252 A CA 1.625 53.468 52.037 -0.324 0.000 0.624 252 A CB -0.845 17.840 19.000 -0.524 0.000 0.822 252 A HN 0.476 nan 8.150 nan 0.000 0.444 253 I N -1.076 119.477 120.570 -0.027 0.000 2.208 253 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 253 I C 2.694 178.844 176.117 0.055 0.000 1.097 253 I CA 1.797 63.135 61.300 0.063 0.000 1.363 253 I CB -0.277 37.785 38.000 0.104 0.000 1.051 253 I HN 0.327 nan 8.210 nan 0.000 0.413 254 R N 1.216 121.722 120.500 0.010 0.000 2.080 254 R HA -0.142 4.198 4.340 -0.000 0.000 0.236 254 R C 2.342 178.622 176.300 -0.033 0.000 1.137 254 R CA 2.341 58.442 56.100 0.002 0.000 0.943 254 R CB -0.663 29.626 30.300 -0.017 0.000 0.846 254 R HN 0.206 nan 8.270 nan 0.000 0.431 255 S N 0.442 116.091 115.700 -0.085 0.000 2.368 255 S HA -0.073 4.397 4.470 -0.000 0.000 0.225 255 S C 1.915 176.430 174.600 -0.141 0.000 1.030 255 S CA 1.366 59.498 58.200 -0.112 0.000 0.999 255 S CB -0.320 62.788 63.200 -0.153 0.000 0.844 255 S HN 0.258 nan 8.310 nan 0.000 0.459 256 L N 1.181 122.293 121.223 -0.184 0.000 2.083 256 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 256 L C 2.700 179.319 176.870 -0.419 0.000 1.083 256 L CA 1.185 55.810 54.840 -0.360 0.000 0.752 256 L CB -1.134 40.678 42.059 -0.412 0.000 0.899 256 L HN 0.313 nan 8.230 nan 0.000 0.433 257 T N -1.106 113.390 114.554 -0.097 0.000 2.674 257 T HA -0.172 4.178 4.350 -0.000 0.000 0.265 257 T C 1.826 176.537 174.700 0.018 0.000 1.039 257 T CA 1.195 63.355 62.100 0.100 0.000 1.150 257 T CB -0.120 68.855 68.868 0.179 0.000 0.864 257 T HN 0.255 nan 8.240 nan 0.000 0.427 258 E N 1.104 121.293 120.200 -0.018 0.000 2.072 258 E HA -0.033 4.316 4.350 -0.000 0.000 0.191 258 E C 2.302 178.882 176.600 -0.032 0.000 0.985 258 E CA 1.007 57.398 56.400 -0.015 0.000 0.801 258 E CB -0.092 29.594 29.700 -0.022 0.000 0.750 258 E HN 0.474 nan 8.360 nan 0.000 0.452 259 R N -0.665 119.787 120.500 -0.079 0.000 2.312 259 R HA 0.136 4.476 4.340 -0.000 0.000 0.205 259 R C 1.506 177.740 176.300 -0.109 0.000 0.904 259 R CA 0.139 56.192 56.100 -0.079 0.000 1.052 259 R CB 0.514 30.759 30.300 -0.090 0.000 1.014 259 R HN 0.046 nan 8.270 nan 0.000 0.503 260 L N -2.244 118.881 121.223 -0.164 0.000 2.692 260 L HA 0.181 4.521 4.340 -0.000 0.000 0.175 260 L C 1.172 178.006 176.870 -0.060 0.000 1.112 260 L CA 0.637 55.366 54.840 -0.186 0.000 0.908 260 L CB -0.314 41.527 42.059 -0.364 0.000 1.672 260 L HN -0.187 nan 8.230 nan 0.000 0.500 261 Y N 1.559 121.865 120.300 0.010 0.000 2.181 261 Y HA -0.057 4.493 4.550 -0.000 0.000 0.288 261 Y C 2.493 178.393 175.900 -0.001 0.000 1.146 261 Y CA 1.637 59.751 58.100 0.023 0.000 1.164 261 Y CB -1.086 37.410 38.460 0.060 0.000 0.982 261 Y HN 0.388 nan 8.280 nan 0.000 0.515 262 I N -2.469 118.182 120.570 0.134 0.000 3.001 262 I HA 0.339 4.509 4.170 -0.000 0.000 0.268 262 I C 1.060 177.179 176.117 0.003 0.000 1.267 262 I CA 0.986 62.323 61.300 0.063 0.000 1.472 262 I CB -0.409 37.621 38.000 0.051 0.000 1.089 262 I HN 0.118 nan 8.210 nan 0.000 0.468 263 G N -0.467 108.310 108.800 -0.039 0.000 2.359 263 G HA2 0.456 4.416 3.960 -0.000 0.000 0.293 263 G HA3 0.456 4.416 3.960 -0.000 0.000 0.293 263 G C -0.766 173.961 174.900 -0.288 0.000 1.300 263 G CA -0.330 44.667 45.100 -0.172 0.000 0.888 263 G HN 0.820 nan 8.290 nan 0.000 0.541 264 G N -1.032 107.312 108.800 -0.761 0.000 2.321 264 G HA2 0.708 4.668 3.960 -0.000 0.000 0.298 264 G HA3 0.708 4.668 3.960 -0.000 0.000 0.298 264 G C -3.494 170.737 174.900 -1.115 0.000 1.385 264 G CA 0.145 44.773 45.100 -0.787 0.000 0.856 264 G HN 0.816 nan 8.290 nan 0.000 0.584 265 P HA 0.445 nan 4.420 nan 0.000 0.271 265 P C -0.357 176.856 177.300 -0.145 0.000 1.218 265 P CA -0.132 62.867 63.100 -0.170 0.000 0.780 265 P CB 1.060 32.798 31.700 0.063 0.000 0.901 266 L N 2.354 123.538 121.223 -0.066 0.000 2.325 266 L HA 0.532 4.872 4.340 -0.000 0.000 0.278 266 L C 0.430 177.311 176.870 0.019 0.000 1.023 266 L CA -0.248 54.582 54.840 -0.017 0.000 0.811 266 L CB 1.639 43.731 42.059 0.054 0.000 1.249 266 L HN 0.297 nan 8.230 nan 0.000 0.431 267 T N 1.004 115.553 114.554 -0.010 0.000 2.879 267 T HA 0.304 4.653 4.350 -0.000 0.000 0.290 267 T C -0.373 174.318 174.700 -0.016 0.000 0.993 267 T CA -0.920 61.174 62.100 -0.010 0.000 0.975 267 T CB 1.519 70.361 68.868 -0.042 0.000 0.981 267 T HN 0.654 nan 8.240 nan 0.000 0.439 268 N N 0.870 119.577 118.700 0.012 0.000 2.327 268 N HA 0.126 4.866 4.740 -0.000 0.000 0.257 268 N C 1.461 176.968 175.510 -0.005 0.000 1.281 268 N CA -0.260 52.797 53.050 0.012 0.000 0.942 268 N CB 0.180 38.684 38.487 0.028 0.000 1.199 268 N HN 0.470 nan 8.380 nan 0.000 0.532 269 S N -1.194 114.512 115.700 0.009 0.000 2.474 269 S HA -0.084 4.386 4.470 -0.000 0.000 0.235 269 S C 0.861 175.463 174.600 0.002 0.000 0.997 269 S CA 0.517 58.724 58.200 0.011 0.000 0.949 269 S CB -0.419 62.801 63.200 0.033 0.000 0.766 269 S HN 0.610 nan 8.310 nan 0.000 0.517 270 K N 0.901 121.302 120.400 0.003 0.000 2.458 270 K HA 0.239 4.558 4.320 -0.000 0.000 0.194 270 K C 1.183 177.778 176.600 -0.009 0.000 1.024 270 K CA 0.431 56.717 56.287 -0.002 0.000 1.108 270 K CB -0.223 32.278 32.500 0.003 0.000 0.846 270 K HN 0.561 nan 8.250 nan 0.000 0.518 271 G N 2.108 110.899 108.800 -0.015 0.000 2.143 271 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.248 271 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.248 271 G C -0.237 174.658 174.900 -0.008 0.000 0.991 271 G CA 0.082 45.169 45.100 -0.022 0.000 0.689 271 G HN 0.405 nan 8.290 nan 0.000 0.522 272 Q N -0.174 119.629 119.800 0.005 0.000 2.227 272 Q HA 0.343 4.683 4.340 -0.000 0.000 0.245 272 Q C 0.414 176.433 176.000 0.032 0.000 0.926 272 Q CA -0.668 55.147 55.803 0.018 0.000 0.895 272 Q CB 0.982 29.734 28.738 0.025 0.000 1.230 272 Q HN 0.360 nan 8.270 nan 0.000 0.450 273 N N 1.275 120.000 118.700 0.041 0.000 2.416 273 N HA -0.009 4.731 4.740 -0.000 0.000 0.265 273 N C -0.132 175.435 175.510 0.095 0.000 1.195 273 N CA -0.359 52.727 53.050 0.060 0.000 0.943 273 N CB 0.509 39.031 38.487 0.058 0.000 1.115 273 N HN 0.613 nan 8.380 nan 0.000 0.481 274 C N 2.945 122.321 119.300 0.126 0.000 2.512 274 C HA 0.325 4.785 4.460 -0.000 0.000 0.276 274 C C 1.326 176.491 174.990 0.291 0.000 1.368 274 C CA 0.645 59.799 59.018 0.226 0.000 1.755 274 C CB -1.016 26.895 27.740 0.284 0.000 2.008 274 C HN 0.959 nan 8.230 nan 0.000 0.511 275 G N -1.937 106.959 108.800 0.159 0.000 2.441 275 G HA2 0.309 4.269 3.960 -0.000 0.000 0.222 275 G HA3 0.309 4.269 3.960 -0.000 0.000 0.222 275 G C -2.110 172.823 174.900 0.055 0.000 1.254 275 G CA -0.336 44.806 45.100 0.071 0.000 0.959 275 G HN 0.047 nan 8.290 nan 0.000 0.474 276 Y N 0.726 120.903 120.300 -0.205 0.000 2.433 276 Y HA 0.726 5.276 4.550 -0.000 0.000 0.337 276 Y C -0.061 175.676 175.900 -0.272 0.000 1.026 276 Y CA -0.821 57.172 58.100 -0.179 0.000 1.037 276 Y CB 1.918 40.289 38.460 -0.148 0.000 1.245 276 Y HN 0.702 nan 8.280 nan 0.000 0.443 277 R N 5.001 125.182 120.500 -0.531 0.000 2.407 277 R HA 0.533 4.873 4.340 -0.000 0.000 0.303 277 R C -0.559 175.477 176.300 -0.439 0.000 0.981 277 R CA -0.480 55.270 56.100 -0.583 0.000 0.905 277 R CB 0.854 30.895 30.300 -0.433 0.000 1.099 277 R HN 0.933 nan 8.270 nan 0.000 0.459 278 R N 2.925 123.174 120.500 -0.418 0.000 2.600 278 R HA 0.195 4.535 4.340 -0.000 0.000 0.392 278 R C -0.295 175.862 176.300 -0.239 0.000 1.032 278 R CA -0.312 55.660 56.100 -0.213 0.000 1.139 278 R CB 0.487 30.717 30.300 -0.117 0.000 1.400 278 R HN 0.737 nan 8.270 nan 0.000 0.566 279 C N -1.057 118.040 119.300 -0.339 0.000 3.119 279 C HA 0.613 5.073 4.460 -0.000 0.000 0.359 279 C C 0.264 175.184 174.990 -0.116 0.000 1.486 279 C CA -1.574 57.306 59.018 -0.229 0.000 1.556 279 C CB 1.330 28.889 27.740 -0.302 0.000 2.063 279 C HN 0.384 nan 8.230 nan 0.000 0.454 280 R N 1.114 121.606 120.500 -0.014 0.000 2.538 280 R HA 0.434 4.774 4.340 -0.000 0.000 0.282 280 R C 0.169 176.527 176.300 0.097 0.000 1.009 280 R CA 0.763 56.903 56.100 0.067 0.000 1.063 280 R CB 0.040 30.418 30.300 0.130 0.000 0.945 280 R HN 1.086 nan 8.270 nan 0.000 0.414 281 A N 3.661 126.551 122.820 0.117 0.000 2.450 281 A HA 0.155 4.475 4.320 -0.000 0.000 0.255 281 A C 1.017 178.706 177.584 0.175 0.000 1.096 281 A CA 0.052 52.184 52.037 0.157 0.000 0.778 281 A CB 0.492 19.594 19.000 0.169 0.000 1.031 281 A HN 1.014 nan 8.150 nan 0.000 0.494 282 S N 2.079 117.897 115.700 0.197 0.000 2.489 282 S HA 0.055 4.525 4.470 -0.000 0.000 0.228 282 S C 1.150 175.850 174.600 0.167 0.000 0.995 282 S CA 0.741 59.050 58.200 0.181 0.000 0.934 282 S CB 0.090 63.404 63.200 0.189 0.000 0.771 282 S HN 1.211 nan 8.310 nan 0.000 0.522 283 G N 1.953 110.876 108.800 0.205 0.000 4.098 283 G HA2 0.508 4.467 3.960 -0.000 0.000 0.300 283 G HA3 0.508 4.467 3.960 -0.000 0.000 0.300 283 G C 0.025 175.051 174.900 0.209 0.000 1.187 283 G CA -0.151 45.069 45.100 0.200 0.000 0.964 283 G HN 0.479 nan 8.290 nan 0.000 0.559 284 V N -2.514 117.514 119.914 0.190 0.000 3.093 284 V HA 0.583 4.703 4.120 -0.000 0.000 0.320 284 V C 1.428 177.606 176.094 0.141 0.000 1.093 284 V CA -0.929 61.502 62.300 0.218 0.000 1.016 284 V CB 1.722 33.750 31.823 0.341 0.000 1.096 284 V HN 0.037 nan 8.190 nan 0.000 0.452 285 L N 2.121 123.435 121.223 0.152 0.000 2.141 285 L HA -0.013 4.327 4.340 -0.000 0.000 0.209 285 L C 2.374 179.258 176.870 0.023 0.000 1.094 285 L CA 2.857 57.763 54.840 0.109 0.000 0.763 285 L CB -0.725 41.419 42.059 0.142 0.000 0.908 285 L HN 1.070 nan 8.230 nan 0.000 0.437 286 T N -5.478 109.021 114.554 -0.091 0.000 3.088 286 T HA -0.105 4.245 4.350 -0.000 0.000 0.259 286 T C 1.831 176.473 174.700 -0.097 0.000 1.122 286 T CA 0.981 62.968 62.100 -0.189 0.000 1.095 286 T CB -0.791 67.778 68.868 -0.500 0.000 0.930 286 T HN 0.362 nan 8.240 nan 0.000 0.508 287 T N 1.520 116.048 114.554 -0.044 0.000 2.665 287 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 287 T C 2.183 176.901 174.700 0.030 0.000 1.035 287 T CA 2.127 64.239 62.100 0.020 0.000 1.151 287 T CB -0.853 68.056 68.868 0.068 0.000 0.862 287 T HN 0.501 nan 8.240 nan 0.000 0.438 288 S N -0.860 114.838 115.700 -0.003 0.000 2.345 288 S HA -0.125 4.345 4.470 -0.000 0.000 0.220 288 S C 2.508 177.118 174.600 0.017 0.000 1.031 288 S CA 1.575 59.761 58.200 -0.023 0.000 0.996 288 S CB -1.156 61.947 63.200 -0.162 0.000 0.882 288 S HN 0.776 nan 8.310 nan 0.000 0.445 289 C N 1.349 120.640 119.300 -0.014 0.000 2.436 289 C HA 0.073 4.533 4.460 -0.000 0.000 0.277 289 C C 2.868 177.901 174.990 0.073 0.000 1.241 289 C CA 1.230 60.258 59.018 0.016 0.000 1.721 289 C CB -1.828 25.899 27.740 -0.022 0.000 2.043 289 C HN 0.699 nan 8.230 nan 0.000 0.472 290 G N 0.758 109.615 108.800 0.096 0.000 2.529 290 G HA2 -0.298 3.661 3.960 -0.000 0.000 0.219 290 G HA3 -0.298 3.661 3.960 -0.000 0.000 0.219 290 G C 1.506 176.482 174.900 0.127 0.000 1.177 290 G CA 1.396 46.557 45.100 0.102 0.000 0.773 290 G HN 0.624 nan 8.290 nan 0.000 0.573 291 N N 0.224 119.001 118.700 0.128 0.000 2.084 291 N HA -0.083 4.657 4.740 -0.000 0.000 0.190 291 N C 2.448 177.972 175.510 0.023 0.000 1.030 291 N CA 1.670 54.784 53.050 0.108 0.000 0.849 291 N CB -0.880 37.563 38.487 -0.073 0.000 1.012 291 N HN 0.271 nan 8.380 nan 0.000 0.423 292 T N 1.857 116.445 114.554 0.058 0.000 2.652 292 T HA -0.054 4.296 4.350 -0.000 0.000 0.267 292 T C 2.129 176.895 174.700 0.111 0.000 1.039 292 T CA 0.858 63.017 62.100 0.097 0.000 1.153 292 T CB -0.358 68.643 68.868 0.220 0.000 0.863 292 T HN 0.133 nan 8.240 nan 0.000 0.428 293 L N 0.501 121.768 121.223 0.072 0.000 2.017 293 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 293 L C 2.972 179.918 176.870 0.127 0.000 1.073 293 L CA 1.255 56.124 54.840 0.048 0.000 0.745 293 L CB -1.042 40.998 42.059 -0.033 0.000 0.894 293 L HN 0.275 nan 8.230 nan 0.000 0.432 294 T N -1.236 113.416 114.554 0.163 0.000 2.746 294 T HA -0.248 4.102 4.350 -0.000 0.000 0.267 294 T C 2.024 176.909 174.700 0.309 0.000 1.039 294 T CA 1.541 63.772 62.100 0.219 0.000 1.142 294 T CB -0.431 68.613 68.868 0.293 0.000 0.866 294 T HN 0.487 nan 8.240 nan 0.000 0.444 295 C N 0.508 120.045 119.300 0.395 0.000 2.453 295 C HA -0.073 4.387 4.460 -0.000 0.000 0.277 295 C C 2.369 177.513 174.990 0.257 0.000 1.262 295 C CA 0.482 59.728 59.018 0.379 0.000 1.718 295 C CB -1.425 26.427 27.740 0.188 0.000 2.031 295 C HN 0.653 nan 8.230 nan 0.000 0.480 296 Y N 1.097 121.449 120.300 0.087 0.000 2.181 296 Y HA -0.130 4.420 4.550 -0.000 0.000 0.288 296 Y C 2.190 178.097 175.900 0.011 0.000 1.146 296 Y CA 2.133 60.261 58.100 0.046 0.000 1.164 296 Y CB -0.573 37.898 38.460 0.019 0.000 0.982 296 Y HN 0.355 nan 8.280 nan 0.000 0.515 297 L N 1.007 122.306 121.223 0.128 0.000 1.989 297 L HA -0.209 4.131 4.340 -0.000 0.000 0.211 297 L C 2.115 178.884 176.870 -0.168 0.000 1.071 297 L CA 2.043 56.825 54.840 -0.096 0.000 0.749 297 L CB -0.900 41.046 42.059 -0.189 0.000 0.890 297 L HN 0.149 nan 8.230 nan 0.000 0.431 298 K N -0.493 119.892 120.400 -0.025 0.000 2.025 298 K HA -0.076 4.244 4.320 -0.000 0.000 0.207 298 K C 2.105 178.746 176.600 0.068 0.000 1.049 298 K CA 1.361 57.697 56.287 0.082 0.000 0.933 298 K CB -0.462 32.165 32.500 0.211 0.000 0.714 298 K HN 0.493 nan 8.250 nan 0.000 0.438 299 A N 1.080 123.912 122.820 0.021 0.000 1.858 299 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 299 A C 2.291 179.891 177.584 0.027 0.000 1.190 299 A CA 2.155 54.215 52.037 0.038 0.000 0.617 299 A CB -1.133 17.947 19.000 0.133 0.000 0.827 299 A HN 0.258 nan 8.150 nan 0.000 0.443 300 T N 0.388 114.851 114.554 -0.151 0.000 2.684 300 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 300 T C 2.182 176.837 174.700 -0.074 0.000 1.036 300 T CA 1.854 63.832 62.100 -0.203 0.000 1.148 300 T CB -0.495 68.093 68.868 -0.467 0.000 0.863 300 T HN 0.612 nan 8.240 nan 0.000 0.436 301 A N 1.129 123.924 122.820 -0.041 0.000 1.969 301 A HA 0.233 4.553 4.320 -0.000 0.000 0.218 301 A C 2.572 180.244 177.584 0.147 0.000 1.169 301 A CA 1.664 53.746 52.037 0.075 0.000 0.635 301 A CB -0.878 18.173 19.000 0.084 0.000 0.810 301 A HN 0.511 nan 8.150 nan 0.000 0.445 302 A N -1.044 121.840 122.820 0.106 0.000 1.968 302 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 302 A C 2.208 179.806 177.584 0.024 0.000 1.169 302 A CA 1.460 53.419 52.037 -0.130 0.000 0.638 302 A CB -1.110 17.456 19.000 -0.723 0.000 0.812 302 A HN 0.601 nan 8.150 nan 0.000 0.446 303 C N -0.649 118.762 119.300 0.185 0.000 2.429 303 C HA -0.074 4.386 4.460 -0.000 0.000 0.277 303 C C 2.820 177.830 174.990 0.034 0.000 1.262 303 C CA 0.983 60.133 59.018 0.220 0.000 1.733 303 C CB -1.281 26.555 27.740 0.160 0.000 2.010 303 C HN 0.602 nan 8.230 nan 0.000 0.483 304 R N 1.363 121.810 120.500 -0.088 0.000 2.075 304 R HA -0.070 4.270 4.340 -0.000 0.000 0.232 304 R C 2.446 178.511 176.300 -0.391 0.000 1.126 304 R CA 1.571 57.505 56.100 -0.278 0.000 0.963 304 R CB -0.594 29.441 30.300 -0.442 0.000 0.858 304 R HN 0.538 nan 8.270 nan 0.000 0.435 305 A N 1.362 123.992 122.820 -0.318 0.000 1.933 305 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 305 A C 2.219 179.783 177.584 -0.034 0.000 1.175 305 A CA 1.715 53.687 52.037 -0.110 0.000 0.628 305 A CB -0.399 18.610 19.000 0.014 0.000 0.814 305 A HN 0.392 nan 8.150 nan 0.000 0.444 306 A N -1.388 121.431 122.820 -0.000 0.000 2.251 306 A HA 0.312 4.632 4.320 -0.000 0.000 0.209 306 A C 0.892 178.494 177.584 0.030 0.000 1.187 306 A CA 0.648 52.713 52.037 0.048 0.000 0.823 306 A CB -0.389 18.703 19.000 0.153 0.000 0.846 306 A HN 0.477 nan 8.150 nan 0.000 0.486 307 K N -1.053 119.348 120.400 0.000 0.000 3.257 307 K HA -0.158 4.162 4.320 -0.000 0.000 0.270 307 K C -1.109 175.497 176.600 0.009 0.000 0.984 307 K CA 0.163 56.447 56.287 -0.005 0.000 0.739 307 K CB -1.738 30.762 32.500 0.000 0.000 1.351 307 K HN 0.308 nan 8.250 nan 0.000 0.463 308 L N 1.434 122.672 121.223 0.024 0.000 2.371 308 L HA 0.132 4.471 4.340 -0.000 0.000 0.272 308 L C 0.965 177.841 176.870 0.009 0.000 1.124 308 L CA 0.285 55.140 54.840 0.025 0.000 0.816 308 L CB 0.966 43.058 42.059 0.055 0.000 1.129 308 L HN 0.126 nan 8.230 nan 0.000 0.448 309 Q N 3.460 123.260 119.800 -0.000 0.000 2.314 309 Q HA 0.136 4.476 4.340 -0.000 0.000 0.257 309 Q C -0.731 175.257 176.000 -0.019 0.000 0.975 309 Q CA -0.221 55.575 55.803 -0.011 0.000 0.933 309 Q CB 0.744 29.473 28.738 -0.016 0.000 1.195 309 Q HN 0.534 nan 8.270 nan 0.000 0.426 310 D N 0.971 121.360 120.400 -0.018 0.000 2.760 310 D HA -0.155 4.485 4.640 -0.000 0.000 0.244 310 D C -0.665 175.618 176.300 -0.027 0.000 1.123 310 D CA 0.408 54.393 54.000 -0.025 0.000 0.719 310 D CB -1.543 39.233 40.800 -0.041 0.000 1.045 310 D HN 0.534 nan 8.370 nan 0.000 0.426 311 C N 0.857 120.151 119.300 -0.011 0.000 2.648 311 C HA 0.303 4.763 4.460 -0.000 0.000 0.419 311 C C 1.204 176.193 174.990 -0.002 0.000 1.352 311 C CA 0.227 59.240 59.018 -0.008 0.000 1.816 311 C CB 0.275 28.018 27.740 0.006 0.000 2.598 311 C HN 0.303 nan 8.230 nan 0.000 0.598 312 T N 6.090 120.639 114.554 -0.008 0.000 2.809 312 T HA 0.532 4.882 4.350 -0.000 0.000 0.284 312 T C -0.235 174.497 174.700 0.054 0.000 0.992 312 T CA -0.305 61.819 62.100 0.040 0.000 0.957 312 T CB 0.987 69.850 68.868 -0.009 0.000 0.942 312 T HN 0.769 nan 8.240 nan 0.000 0.439 313 M N 2.519 122.185 119.600 0.111 0.000 2.762 313 M HA 0.909 5.389 4.480 -0.000 0.000 0.306 313 M C -1.713 174.710 176.300 0.205 0.000 1.223 313 M CA -1.260 54.097 55.300 0.095 0.000 0.896 313 M CB 1.756 34.372 32.600 0.027 0.000 1.684 313 M HN 0.428 nan 8.290 nan 0.000 0.491 314 L N 2.136 123.440 121.223 0.135 0.000 2.441 314 L HA 0.712 5.052 4.340 -0.000 0.000 0.270 314 L C -1.840 175.034 176.870 0.006 0.000 0.973 314 L CA -0.339 54.559 54.840 0.096 0.000 0.842 314 L CB 2.123 44.264 42.059 0.138 0.000 1.239 314 L HN 0.692 nan 8.230 nan 0.000 0.406 315 V N 4.077 123.978 119.914 -0.023 0.000 2.680 315 V HA 0.657 4.777 4.120 -0.000 0.000 0.309 315 V C -0.565 175.369 176.094 -0.267 0.000 1.052 315 V CA -0.705 61.565 62.300 -0.050 0.000 0.908 315 V CB 2.041 33.933 31.823 0.116 0.000 1.001 315 V HN 0.784 nan 8.190 nan 0.000 0.431 316 N N 3.114 121.619 118.700 -0.326 0.000 2.685 316 N HA 0.399 5.139 4.740 -0.000 0.000 0.252 316 N C 0.482 175.867 175.510 -0.210 0.000 1.261 316 N CA 0.515 53.160 53.050 -0.674 0.000 0.768 316 N CB 2.013 40.015 38.487 -0.809 0.000 1.304 316 N HN 1.090 nan 8.380 nan 0.000 0.536 317 G N 3.022 111.860 108.800 0.064 0.000 2.651 317 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.315 317 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.315 317 G C 0.639 175.399 174.900 -0.233 0.000 1.258 317 G CA 1.013 46.121 45.100 0.013 0.000 1.002 317 G HN 0.598 nan 8.290 nan 0.000 0.551 318 D N 1.185 121.371 120.400 -0.357 0.000 2.347 318 D HA 0.046 4.686 4.640 -0.000 0.000 0.215 318 D C 0.449 176.663 176.300 -0.144 0.000 0.976 318 D CA 0.895 54.560 54.000 -0.557 0.000 0.884 318 D CB -0.276 40.231 40.800 -0.490 0.000 0.915 318 D HN 0.469 nan 8.370 nan 0.000 0.526 319 D N 0.438 120.790 120.400 -0.080 0.000 2.304 319 D HA 0.348 4.988 4.640 -0.000 0.000 0.250 319 D C -0.560 175.729 176.300 -0.019 0.000 1.107 319 D CA -0.309 53.680 54.000 -0.019 0.000 0.885 319 D CB 1.750 42.530 40.800 -0.033 0.000 1.192 319 D HN 0.071 nan 8.370 nan 0.000 0.436 320 L N 3.333 124.576 121.223 0.033 0.000 2.482 320 L HA 0.489 4.829 4.340 -0.000 0.000 0.263 320 L C -1.732 175.119 176.870 -0.031 0.000 0.957 320 L CA -0.706 54.152 54.840 0.030 0.000 0.836 320 L CB 2.004 44.142 42.059 0.130 0.000 1.324 320 L HN 0.126 nan 8.230 nan 0.000 0.406 321 V N 5.591 125.451 119.914 -0.090 0.000 2.760 321 V HA 0.880 5.000 4.120 -0.000 0.000 0.309 321 V C -1.854 174.090 176.094 -0.251 0.000 1.077 321 V CA -0.190 61.996 62.300 -0.190 0.000 0.910 321 V CB 2.267 34.027 31.823 -0.106 0.000 1.008 321 V HN 0.994 nan 8.190 nan 0.000 0.424 322 V N 7.486 127.093 119.914 -0.512 0.000 2.588 322 V HA 0.708 4.828 4.120 -0.000 0.000 0.304 322 V C -0.998 174.920 176.094 -0.294 0.000 1.042 322 V CA -0.419 61.631 62.300 -0.417 0.000 0.877 322 V CB 1.733 33.236 31.823 -0.534 0.000 0.996 322 V HN 0.873 nan 8.190 nan 0.000 0.425 323 I N 7.148 127.654 120.570 -0.106 0.000 2.433 323 I HA 0.768 4.938 4.170 -0.000 0.000 0.292 323 I C -0.093 175.984 176.117 -0.068 0.000 1.001 323 I CA -0.365 60.919 61.300 -0.027 0.000 1.119 323 I CB 1.654 39.678 38.000 0.040 0.000 1.289 323 I HN 1.057 nan 8.210 nan 0.000 0.438 324 C N 2.561 121.814 119.300 -0.079 0.000 3.332 324 C HA 0.511 4.971 4.460 -0.000 0.000 0.329 324 C C -0.733 174.189 174.990 -0.115 0.000 1.434 324 C CA -0.973 57.999 59.018 -0.077 0.000 1.314 324 C CB 1.786 29.520 27.740 -0.010 0.000 1.664 324 C HN 0.640 nan 8.230 nan 0.000 0.457 325 E N 1.885 122.031 120.200 -0.090 0.000 2.324 325 E HA 0.245 4.595 4.350 -0.000 0.000 0.271 325 E C 0.185 176.758 176.600 -0.044 0.000 1.028 325 E CA 0.545 56.891 56.400 -0.090 0.000 0.890 325 E CB 1.551 31.209 29.700 -0.069 0.000 1.004 325 E HN 0.732 nan 8.360 nan 0.000 0.431 326 S N 2.065 117.750 115.700 -0.025 0.000 2.528 326 S HA 0.278 4.748 4.470 -0.000 0.000 0.277 326 S C 0.715 175.332 174.600 0.029 0.000 1.297 326 S CA -0.026 58.209 58.200 0.057 0.000 1.052 326 S CB 0.806 64.120 63.200 0.191 0.000 0.917 326 S HN 0.511 nan 8.310 nan 0.000 0.492 327 A N 3.799 126.639 122.820 0.034 0.000 2.275 327 A HA 0.620 4.940 4.320 -0.000 0.000 0.212 327 A C 1.076 178.667 177.584 0.011 0.000 1.201 327 A CA 0.341 52.385 52.037 0.013 0.000 0.843 327 A CB -0.969 18.036 19.000 0.008 0.000 0.873 327 A HN 1.875 nan 8.150 nan 0.000 0.492 328 G N -2.337 106.479 108.800 0.025 0.000 2.484 328 G HA2 0.055 4.015 3.960 -0.000 0.000 0.685 328 G HA3 0.055 4.015 3.960 -0.000 0.000 0.685 328 G C 0.307 175.219 174.900 0.020 0.000 1.294 328 G CA -0.187 44.908 45.100 -0.009 0.000 0.879 328 G HN 0.286 nan 8.290 nan 0.000 0.646 329 T N 0.323 114.858 114.554 -0.032 0.000 2.595 329 T HA -0.189 4.161 4.350 -0.000 0.000 0.264 329 T C 2.341 177.069 174.700 0.046 0.000 1.058 329 T CA 2.384 64.490 62.100 0.011 0.000 1.166 329 T CB -0.383 68.454 68.868 -0.052 0.000 0.863 329 T HN 0.598 nan 8.240 nan 0.000 0.415 330 Q N 0.758 120.567 119.800 0.014 0.000 2.061 330 Q HA -0.140 4.200 4.340 -0.000 0.000 0.204 330 Q C 2.446 178.454 176.000 0.014 0.000 0.984 330 Q CA 1.497 57.308 55.803 0.013 0.000 0.846 330 Q CB -0.134 28.605 28.738 0.002 0.000 0.902 330 Q HN 0.641 nan 8.270 nan 0.000 0.421 331 E N -0.200 120.008 120.200 0.014 0.000 2.204 331 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 331 E C 0.897 177.504 176.600 0.011 0.000 0.989 331 E CA 1.221 57.627 56.400 0.010 0.000 0.824 331 E CB -0.186 29.519 29.700 0.007 0.000 0.756 331 E HN 0.387 nan 8.360 nan 0.000 0.477 332 D N 1.749 122.169 120.400 0.032 0.000 2.123 332 D HA 0.006 4.646 4.640 -0.000 0.000 0.200 332 D C 1.985 178.265 176.300 -0.032 0.000 0.976 332 D CA 1.881 55.892 54.000 0.019 0.000 0.831 332 D CB -0.294 40.574 40.800 0.113 0.000 0.974 332 D HN 0.296 nan 8.370 nan 0.000 0.469 333 A N 0.966 123.783 122.820 -0.004 0.000 1.902 333 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 333 A C 2.286 179.850 177.584 -0.034 0.000 1.181 333 A CA 2.120 54.140 52.037 -0.028 0.000 0.623 333 A CB -0.817 18.184 19.000 0.002 0.000 0.818 333 A HN 0.219 nan 8.150 nan 0.000 0.443 334 A N -0.026 122.783 122.820 -0.017 0.000 1.908 334 A HA 0.079 4.398 4.320 -0.000 0.000 0.218 334 A C 2.517 180.091 177.584 -0.017 0.000 1.181 334 A CA 2.361 54.391 52.037 -0.012 0.000 0.627 334 A CB -1.061 17.936 19.000 -0.004 0.000 0.818 334 A HN 1.086 nan 8.150 nan 0.000 0.445 335 A N -0.911 121.892 122.820 -0.030 0.000 1.877 335 A HA -0.014 4.306 4.320 -0.000 0.000 0.216 335 A C 2.078 179.633 177.584 -0.048 0.000 1.186 335 A CA 1.648 53.668 52.037 -0.030 0.000 0.620 335 A CB -0.594 18.381 19.000 -0.041 0.000 0.822 335 A HN 0.450 nan 8.150 nan 0.000 0.443 336 L N -0.721 120.412 121.223 -0.150 0.000 2.191 336 L HA -0.082 4.258 4.340 -0.000 0.000 0.212 336 L C 2.550 179.410 176.870 -0.018 0.000 1.103 336 L CA 1.533 56.233 54.840 -0.232 0.000 0.769 336 L CB -0.368 41.446 42.059 -0.408 0.000 0.908 336 L HN 0.314 nan 8.230 nan 0.000 0.438 337 R N -1.527 118.970 120.500 -0.005 0.000 2.090 337 R HA -0.041 4.299 4.340 -0.000 0.000 0.228 337 R C 2.292 178.618 176.300 0.045 0.000 1.110 337 R CA 1.125 57.243 56.100 0.030 0.000 0.973 337 R CB -0.378 29.928 30.300 0.009 0.000 0.869 337 R HN 0.404 nan 8.270 nan 0.000 0.440 338 A N 0.369 123.213 122.820 0.039 0.000 1.855 338 A HA -0.181 4.139 4.320 -0.000 0.000 0.215 338 A C 1.951 179.556 177.584 0.035 0.000 1.191 338 A CA 1.095 53.147 52.037 0.025 0.000 0.613 338 A CB -0.754 18.260 19.000 0.023 0.000 0.829 338 A HN 0.385 nan 8.150 nan 0.000 0.442 339 F N 1.519 121.429 119.950 -0.067 0.000 2.063 339 F HA -0.251 4.276 4.527 -0.000 0.000 0.298 339 F C 2.484 178.236 175.800 -0.080 0.000 1.109 339 F CA 2.558 60.517 58.000 -0.069 0.000 1.212 339 F CB -0.678 38.294 39.000 -0.047 0.000 0.973 339 F HN 0.224 nan 8.300 nan 0.000 0.480 340 T N -0.015 114.667 114.554 0.213 0.000 2.720 340 T HA -0.220 4.130 4.350 -0.000 0.000 0.268 340 T C 1.700 176.396 174.700 -0.007 0.000 1.037 340 T CA 1.846 64.062 62.100 0.193 0.000 1.144 340 T CB -0.375 68.667 68.868 0.290 0.000 0.864 340 T HN 0.407 nan 8.240 nan 0.000 0.444 341 E N 0.885 121.061 120.200 -0.039 0.000 2.110 341 E HA -0.064 4.286 4.350 -0.000 0.000 0.193 341 E C 2.511 178.980 176.600 -0.217 0.000 0.988 341 E CA 0.978 57.323 56.400 -0.091 0.000 0.804 341 E CB -0.209 29.451 29.700 -0.067 0.000 0.745 341 E HN 0.483 nan 8.360 nan 0.000 0.458 342 A N 1.088 123.715 122.820 -0.321 0.000 1.873 342 A HA -0.175 4.145 4.320 -0.000 0.000 0.215 342 A C 2.139 179.234 177.584 -0.815 0.000 1.186 342 A CA 1.191 52.873 52.037 -0.592 0.000 0.616 342 A CB -0.289 18.394 19.000 -0.527 0.000 0.823 342 A HN 0.118 nan 8.150 nan 0.000 0.442 343 M N -0.163 119.078 119.600 -0.599 0.000 2.213 343 M HA -0.107 4.373 4.480 -0.000 0.000 0.263 343 M C 2.092 178.287 176.300 -0.174 0.000 1.062 343 M CA 1.898 56.956 55.300 -0.404 0.000 1.105 343 M CB -1.796 30.486 32.600 -0.530 0.000 1.385 343 M HN 0.448 nan 8.290 nan 0.000 0.417 344 T N -0.114 114.352 114.554 -0.147 0.000 2.857 344 T HA -0.060 4.290 4.350 -0.000 0.000 0.266 344 T C 1.972 176.628 174.700 -0.073 0.000 1.048 344 T CA 0.937 63.008 62.100 -0.049 0.000 1.139 344 T CB -0.089 68.764 68.868 -0.026 0.000 0.874 344 T HN 0.388 nan 8.240 nan 0.000 0.455 345 R N 0.095 120.490 120.500 -0.174 0.000 2.115 345 R HA -0.008 4.332 4.340 -0.000 0.000 0.226 345 R C 1.553 177.848 176.300 -0.007 0.000 1.100 345 R CA 0.919 56.940 56.100 -0.131 0.000 0.980 345 R CB -0.236 29.940 30.300 -0.207 0.000 0.875 345 R HN 0.410 nan 8.270 nan 0.000 0.445 346 Y N 1.178 121.438 120.300 -0.067 0.000 2.553 346 Y HA -0.011 4.539 4.550 -0.000 0.000 0.303 346 Y C 0.809 176.678 175.900 -0.052 0.000 1.194 346 Y CA -0.004 58.052 58.100 -0.073 0.000 1.305 346 Y CB -0.899 37.550 38.460 -0.018 0.000 1.045 346 Y HN 0.099 nan 8.280 nan 0.000 0.514 347 S N -0.673 115.082 115.700 0.091 0.000 3.866 347 S HA -0.048 4.422 4.470 -0.000 0.000 0.427 347 S C -0.136 174.494 174.600 0.050 0.000 0.891 347 S CA 0.344 58.582 58.200 0.063 0.000 1.275 347 S CB -1.712 61.516 63.200 0.047 0.000 0.872 347 S HN 1.072 nan 8.310 nan 0.000 0.562 348 A N 1.165 124.029 122.820 0.073 0.000 3.464 348 A HA 0.644 4.964 4.320 -0.000 0.000 0.243 348 A C -2.392 175.316 177.584 0.207 0.000 1.100 348 A CA -0.473 51.630 52.037 0.109 0.000 0.957 348 A CB 0.919 19.992 19.000 0.121 0.000 1.340 348 A HN 0.527 nan 8.150 nan 0.000 0.645 349 P HA 0.403 nan 4.420 nan 0.000 0.278 349 P C -2.949 174.429 177.300 0.130 0.000 1.238 349 P CA -1.261 61.922 63.100 0.138 0.000 0.794 349 P CB 0.974 32.691 31.700 0.029 0.000 0.955 350 P HA 0.127 nan 4.420 nan 0.000 0.279 350 P C 0.760 177.999 177.300 -0.102 0.000 1.252 350 P CA -0.029 62.976 63.100 -0.158 0.000 0.811 350 P CB 0.945 32.473 31.700 -0.287 0.000 1.035 351 G N 1.624 110.354 108.800 -0.117 0.000 2.607 351 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.215 351 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.215 351 G C -0.008 174.849 174.900 -0.072 0.000 1.275 351 G CA 0.248 45.307 45.100 -0.068 0.000 0.842 351 G HN 0.483 nan 8.290 nan 0.000 0.555 352 D N 2.005 122.358 120.400 -0.079 0.000 2.302 352 D HA 0.309 4.949 4.640 -0.000 0.000 0.248 352 D C -2.216 174.032 176.300 -0.086 0.000 1.094 352 D CA -1.037 52.925 54.000 -0.063 0.000 0.897 352 D CB 1.370 42.144 40.800 -0.043 0.000 1.200 352 D HN 0.075 nan 8.370 nan 0.000 0.429 353 P HA 0.129 nan 4.420 nan 0.000 0.268 353 P C -2.372 174.917 177.300 -0.019 0.000 1.204 353 P CA -0.963 62.120 63.100 -0.029 0.000 0.768 353 P CB -0.218 31.479 31.700 -0.006 0.000 0.842 354 P HA 0.168 nan 4.420 nan 0.000 0.272 354 P C -0.648 176.654 177.300 0.002 0.000 1.223 354 P CA 0.056 63.192 63.100 0.061 0.000 0.784 354 P CB 0.896 32.724 31.700 0.212 0.000 0.923 355 Q N 1.639 121.448 119.800 0.016 0.000 2.321 355 Q HA 0.370 4.710 4.340 -0.000 0.000 0.270 355 Q C -2.344 173.637 176.000 -0.031 0.000 1.032 355 Q CA -2.116 53.678 55.803 -0.016 0.000 0.784 355 Q CB 2.241 30.985 28.738 0.010 0.000 1.264 355 Q HN 0.372 nan 8.270 nan 0.000 0.448 356 P HA 0.038 nan 4.420 nan 0.000 0.268 356 P C -0.849 176.333 177.300 -0.197 0.000 1.205 356 P CA 0.021 63.008 63.100 -0.187 0.000 0.771 356 P CB 0.911 32.476 31.700 -0.226 0.000 0.858 357 E N 1.378 121.425 120.200 -0.254 0.000 2.234 357 E HA 0.341 4.691 4.350 -0.000 0.000 0.266 357 E C -1.006 175.477 176.600 -0.196 0.000 0.877 357 E CA -0.490 55.825 56.400 -0.142 0.000 0.758 357 E CB 0.922 30.612 29.700 -0.016 0.000 1.170 357 E HN 0.310 nan 8.360 nan 0.000 0.415 358 Y N 1.018 121.452 120.300 0.224 0.000 2.636 358 Y HA 0.325 4.875 4.550 -0.000 0.000 0.260 358 Y C -0.197 175.930 175.900 0.378 0.000 1.177 358 Y CA -0.528 57.767 58.100 0.325 0.000 1.209 358 Y CB 0.920 39.483 38.460 0.171 0.000 1.166 358 Y HN 0.308 nan 8.280 nan 0.000 0.531 359 D N -0.370 120.178 120.400 0.246 0.000 2.863 359 D HA 0.144 4.783 4.640 -0.000 0.000 0.245 359 D C 0.420 176.407 176.300 -0.522 0.000 1.211 359 D CA -0.483 53.504 54.000 -0.023 0.000 0.888 359 D CB 1.701 42.508 40.800 0.012 0.000 1.483 359 D HN 0.028 nan 8.370 nan 0.000 0.533 360 L N 3.830 124.351 121.223 -1.169 0.000 2.042 360 L HA -0.048 4.291 4.340 -0.000 0.000 0.210 360 L C 1.879 178.408 176.870 -0.569 0.000 1.076 360 L CA 2.074 56.140 54.840 -1.291 0.000 0.749 360 L CB -0.505 40.693 42.059 -1.435 0.000 0.893 360 L HN 0.752 nan 8.230 nan 0.000 0.432 361 E N -1.134 118.843 120.200 -0.373 0.000 2.267 361 E HA -0.222 4.128 4.350 -0.000 0.000 0.197 361 E C 1.581 178.089 176.600 -0.152 0.000 0.998 361 E CA 0.796 57.073 56.400 -0.205 0.000 0.830 361 E CB 0.018 29.644 29.700 -0.123 0.000 0.751 361 E HN 0.391 nan 8.360 nan 0.000 0.491 362 L N 0.825 121.956 121.223 -0.153 0.000 2.592 362 L HA 0.254 4.594 4.340 -0.000 0.000 0.227 362 L C 0.364 177.186 176.870 -0.080 0.000 1.127 362 L CA 0.438 55.226 54.840 -0.086 0.000 0.884 362 L CB 0.040 42.072 42.059 -0.045 0.000 1.065 362 L HN 0.113 nan 8.230 nan 0.000 0.457 363 I N -0.338 120.156 120.570 -0.126 0.000 2.325 363 I HA 0.165 4.334 4.170 -0.000 0.000 0.291 363 I C 0.473 176.549 176.117 -0.068 0.000 1.019 363 I CA -0.039 61.208 61.300 -0.089 0.000 1.302 363 I CB 1.364 39.292 38.000 -0.120 0.000 1.401 363 I HN -0.009 nan 8.210 nan 0.000 0.485 364 T N 4.294 118.830 114.554 -0.030 0.000 2.812 364 T HA 0.544 4.894 4.350 -0.000 0.000 0.282 364 T C -0.820 173.882 174.700 0.003 0.000 0.990 364 T CA -0.425 61.669 62.100 -0.011 0.000 0.960 364 T CB 1.247 70.114 68.868 -0.001 0.000 0.948 364 T HN 0.515 nan 8.240 nan 0.000 0.438 365 S N 2.936 118.643 115.700 0.012 0.000 2.575 365 S HA 0.492 4.962 4.470 -0.000 0.000 0.278 365 S C 0.053 174.677 174.600 0.040 0.000 1.139 365 S CA -0.372 57.837 58.200 0.014 0.000 0.954 365 S CB 0.203 63.395 63.200 -0.013 0.000 1.054 365 S HN 1.259 nan 8.310 nan 0.000 0.483 366 C N 3.347 122.676 119.300 0.048 0.000 4.350 366 C HA -0.166 4.294 4.460 -0.000 0.000 0.302 366 C C 1.286 176.352 174.990 0.126 0.000 1.390 366 C CA 0.609 59.680 59.018 0.088 0.000 2.016 366 C CB -3.333 24.464 27.740 0.094 0.000 1.271 366 C HN 1.404 nan 8.230 nan 0.000 0.760 367 S N -2.182 113.572 115.700 0.091 0.000 3.011 367 S HA -0.271 4.199 4.470 -0.000 0.000 0.278 367 S C 0.550 175.206 174.600 0.094 0.000 1.300 367 S CA 1.712 59.959 58.200 0.079 0.000 1.248 367 S CB -1.431 61.816 63.200 0.080 0.000 1.517 367 S HN 2.094 nan 8.310 nan 0.000 0.685 368 S N 2.386 118.169 115.700 0.137 0.000 2.654 368 S HA 0.739 5.209 4.470 -0.000 0.000 0.283 368 S C -0.513 174.138 174.600 0.085 0.000 1.180 368 S CA -0.217 58.094 58.200 0.184 0.000 1.021 368 S CB 1.672 65.042 63.200 0.283 0.000 1.018 368 S HN 0.640 nan 8.310 nan 0.000 0.532 369 N N -0.308 118.432 118.700 0.065 0.000 2.591 369 N HA 0.325 5.065 4.740 -0.000 0.000 0.263 369 N C -1.597 173.873 175.510 -0.068 0.000 1.308 369 N CA -0.764 52.275 53.050 -0.018 0.000 0.837 369 N CB 1.420 39.885 38.487 -0.036 0.000 1.548 369 N HN 0.463 nan 8.380 nan 0.000 0.493 370 V N 0.480 120.319 119.914 -0.124 0.000 2.583 370 V HA 0.465 4.585 4.120 -0.000 0.000 0.287 370 V C 0.502 176.469 176.094 -0.211 0.000 1.051 370 V CA -0.044 62.153 62.300 -0.172 0.000 1.010 370 V CB 0.942 32.664 31.823 -0.167 0.000 0.988 370 V HN 0.840 nan 8.190 nan 0.000 0.478 371 S N 2.801 118.276 115.700 -0.374 0.000 2.732 371 S HA 0.849 5.319 4.470 -0.000 0.000 0.293 371 S C -1.255 173.178 174.600 -0.279 0.000 1.159 371 S CA -0.513 57.483 58.200 -0.339 0.000 0.847 371 S CB 2.122 65.087 63.200 -0.391 0.000 1.169 371 S HN 0.448 nan 8.310 nan 0.000 0.501 372 V N 1.395 121.263 119.914 -0.078 0.000 2.577 372 V HA 0.896 5.016 4.120 -0.000 0.000 0.303 372 V C 0.023 176.124 176.094 0.011 0.000 1.042 372 V CA -0.434 61.796 62.300 -0.116 0.000 0.872 372 V CB 0.841 32.496 31.823 -0.280 0.000 0.998 372 V HN 1.054 nan 8.190 nan 0.000 0.423 373 A N 3.130 125.892 122.820 -0.097 0.000 2.483 373 A HA 0.961 5.281 4.320 -0.000 0.000 0.286 373 A C -1.361 175.971 177.584 -0.421 0.000 1.207 373 A CA -0.607 51.243 52.037 -0.312 0.000 0.764 373 A CB 1.513 20.072 19.000 -0.736 0.000 1.341 373 A HN 0.912 nan 8.150 nan 0.000 0.428 374 H N 0.391 119.130 119.070 -0.552 0.000 2.495 374 H HA 0.478 5.034 4.556 -0.000 0.000 0.348 374 H C -0.587 174.443 175.328 -0.496 0.000 1.113 374 H CA -0.383 55.369 56.048 -0.494 0.000 1.195 374 H CB 1.243 30.685 29.762 -0.532 0.000 1.521 374 H HN 0.793 nan 8.280 nan 0.000 0.509 375 D N 0.996 121.322 120.400 -0.123 0.000 2.447 375 D HA 0.222 4.862 4.640 -0.000 0.000 0.265 375 D C 1.300 177.714 176.300 0.190 0.000 1.250 375 D CA -0.306 53.695 54.000 0.002 0.000 1.046 375 D CB 0.321 41.115 40.800 -0.009 0.000 1.095 375 D HN 0.482 nan 8.370 nan 0.000 0.555 376 A N -0.123 122.796 122.820 0.164 0.000 1.908 376 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 376 A C 2.070 179.724 177.584 0.117 0.000 1.181 376 A CA 2.589 54.710 52.037 0.140 0.000 0.627 376 A CB -1.273 17.770 19.000 0.071 0.000 0.818 376 A HN 0.649 nan 8.150 nan 0.000 0.445 377 S N -2.275 113.478 115.700 0.089 0.000 2.515 377 S HA 0.338 4.808 4.470 -0.000 0.000 0.231 377 S C 1.518 176.169 174.600 0.085 0.000 0.987 377 S CA 1.202 59.442 58.200 0.067 0.000 0.936 377 S CB -0.142 63.084 63.200 0.043 0.000 0.766 377 S HN 1.908 nan 8.310 nan 0.000 0.528 378 G N 1.104 109.982 108.800 0.130 0.000 2.259 378 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 378 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 378 G C 0.037 175.011 174.900 0.122 0.000 1.001 378 G CA 0.013 45.205 45.100 0.154 0.000 0.627 378 G HN 0.710 nan 8.290 nan 0.000 0.501 379 K N 1.316 121.735 120.400 0.032 0.000 2.414 379 K HA 0.357 4.677 4.320 -0.000 0.000 0.272 379 K C 0.484 176.966 176.600 -0.198 0.000 0.993 379 K CA -0.395 55.864 56.287 -0.048 0.000 0.964 379 K CB 0.217 32.698 32.500 -0.033 0.000 0.925 379 K HN 0.306 nan 8.250 nan 0.000 0.487 380 R N 2.188 122.500 120.500 -0.314 0.000 2.370 380 R HA 0.134 4.474 4.340 -0.000 0.000 0.309 380 R C -0.779 175.276 176.300 -0.408 0.000 1.059 380 R CA -0.369 55.400 56.100 -0.552 0.000 0.981 380 R CB 0.829 30.793 30.300 -0.560 0.000 0.972 380 R HN 0.264 nan 8.270 nan 0.000 0.437 381 V N 5.110 124.779 119.914 -0.407 0.000 2.459 381 V HA 0.284 4.404 4.120 -0.000 0.000 0.295 381 V C -0.642 175.313 176.094 -0.232 0.000 1.029 381 V CA -0.844 61.325 62.300 -0.219 0.000 0.874 381 V CB 1.192 32.937 31.823 -0.131 0.000 0.985 381 V HN 0.574 nan 8.190 nan 0.000 0.438 382 Y N 4.857 125.150 120.300 -0.011 0.000 2.320 382 Y HA 0.659 5.209 4.550 -0.000 0.000 0.324 382 Y C -0.005 175.962 175.900 0.112 0.000 1.190 382 Y CA -0.234 57.870 58.100 0.008 0.000 1.215 382 Y CB 1.268 39.690 38.460 -0.064 0.000 1.221 382 Y HN 0.729 nan 8.280 nan 0.000 0.486 383 Y N -1.020 119.342 120.300 0.103 0.000 2.638 383 Y HA 0.711 5.260 4.550 -0.000 0.000 0.335 383 Y C -2.263 173.690 175.900 0.089 0.000 1.155 383 Y CA -2.071 56.066 58.100 0.061 0.000 1.046 383 Y CB 0.805 39.268 38.460 0.004 0.000 1.303 383 Y HN 0.424 nan 8.280 nan 0.000 0.460 384 L N 2.660 123.951 121.223 0.113 0.000 2.282 384 L HA 0.652 4.992 4.340 -0.000 0.000 0.288 384 L C 0.234 177.304 176.870 0.332 0.000 1.033 384 L CA -0.333 54.569 54.840 0.103 0.000 0.807 384 L CB 1.697 43.834 42.059 0.131 0.000 1.209 384 L HN 0.993 nan 8.230 nan 0.000 0.423 385 T N 3.381 118.083 114.554 0.247 0.000 2.676 385 T HA 0.664 5.014 4.350 -0.000 0.000 0.269 385 T C -1.069 173.809 174.700 0.297 0.000 0.952 385 T CA -0.602 61.742 62.100 0.407 0.000 1.040 385 T CB 1.799 70.859 68.868 0.320 0.000 1.352 385 T HN 0.610 nan 8.240 nan 0.000 0.554 386 R N 0.838 121.454 120.500 0.193 0.000 2.687 386 R HA 0.174 4.514 4.340 -0.000 0.000 0.265 386 R C -1.976 174.193 176.300 -0.218 0.000 1.048 386 R CA -0.552 55.514 56.100 -0.057 0.000 0.884 386 R CB 1.487 31.582 30.300 -0.341 0.000 1.258 386 R HN 0.819 nan 8.270 nan 0.000 0.469 387 D N 3.806 124.067 120.400 -0.232 0.000 2.417 387 D HA 0.080 4.720 4.640 -0.000 0.000 0.250 387 D C -1.665 174.299 176.300 -0.560 0.000 1.166 387 D CA -1.190 52.629 54.000 -0.302 0.000 0.881 387 D CB 1.505 42.199 40.800 -0.175 0.000 1.164 387 D HN 0.230 nan 8.370 nan 0.000 0.467 388 P HA 0.020 nan 4.420 nan 0.000 0.245 388 P C 1.206 178.180 177.300 -0.543 0.000 1.212 388 P CA 0.230 62.674 63.100 -1.094 0.000 0.774 388 P CB 0.303 31.286 31.700 -1.196 0.000 0.999 389 T N -0.522 113.835 114.554 -0.328 0.000 2.597 389 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 389 T C 1.729 176.351 174.700 -0.130 0.000 1.053 389 T CA 2.429 64.428 62.100 -0.167 0.000 1.165 389 T CB -1.208 67.604 68.868 -0.093 0.000 0.863 389 T HN 0.187 nan 8.240 nan 0.000 0.427 390 T N 2.204 116.679 114.554 -0.132 0.000 2.643 390 T HA -0.053 4.297 4.350 -0.000 0.000 0.264 390 T C -0.557 174.076 174.700 -0.111 0.000 1.045 390 T CA 1.317 63.364 62.100 -0.089 0.000 1.155 390 T CB -1.280 67.566 68.868 -0.036 0.000 0.863 390 T HN 0.318 nan 8.240 nan 0.000 0.420 391 P HA -0.062 nan 4.420 nan 0.000 0.217 391 P C 1.468 178.775 177.300 0.012 0.000 1.151 391 P CA 1.092 64.152 63.100 -0.066 0.000 0.849 391 P CB -0.210 31.383 31.700 -0.179 0.000 0.787 392 L N -1.669 119.519 121.223 -0.059 0.000 2.131 392 L HA -0.039 4.301 4.340 -0.000 0.000 0.206 392 L C 2.486 179.387 176.870 0.052 0.000 1.087 392 L CA 1.164 56.010 54.840 0.009 0.000 0.767 392 L CB -0.907 41.121 42.059 -0.053 0.000 0.917 392 L HN -0.069 nan 8.230 nan 0.000 0.441 393 A N 0.192 123.028 122.820 0.027 0.000 1.930 393 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 393 A C 2.350 180.002 177.584 0.114 0.000 1.175 393 A CA 1.300 53.376 52.037 0.065 0.000 0.627 393 A CB -0.371 18.640 19.000 0.020 0.000 0.815 393 A HN 0.303 nan 8.150 nan 0.000 0.443 394 R N -0.515 120.021 120.500 0.061 0.000 2.075 394 R HA -0.028 4.312 4.340 -0.000 0.000 0.232 394 R C 2.495 178.956 176.300 0.269 0.000 1.126 394 R CA 1.131 57.295 56.100 0.106 0.000 0.963 394 R CB -0.466 29.840 30.300 0.010 0.000 0.858 394 R HN 0.493 nan 8.270 nan 0.000 0.435 395 A N 1.377 124.368 122.820 0.286 0.000 1.908 395 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 395 A C 2.369 180.167 177.584 0.356 0.000 1.181 395 A CA 1.792 54.093 52.037 0.440 0.000 0.627 395 A CB -0.643 18.641 19.000 0.473 0.000 0.818 395 A HN 0.408 nan 8.150 nan 0.000 0.445 396 A N -1.364 121.592 122.820 0.227 0.000 1.873 396 A HA -0.173 4.147 4.320 -0.000 0.000 0.215 396 A C 2.107 179.818 177.584 0.211 0.000 1.186 396 A CA 1.366 53.502 52.037 0.163 0.000 0.616 396 A CB -0.901 18.177 19.000 0.130 0.000 0.823 396 A HN 0.838 nan 8.150 nan 0.000 0.442 397 W N 1.076 122.430 121.300 0.089 0.000 2.338 397 W HA -0.170 4.490 4.660 -0.000 0.000 0.304 397 W C 1.674 178.258 176.519 0.108 0.000 1.212 397 W CA 2.062 59.455 57.345 0.079 0.000 1.264 397 W CB -0.258 29.226 29.460 0.040 0.000 1.142 397 W HN 0.562 nan 8.180 nan 0.000 0.512 398 E N -0.840 119.617 120.200 0.427 0.000 2.216 398 E HA -0.125 4.225 4.350 -0.000 0.000 0.192 398 E C 2.036 178.792 176.600 0.260 0.000 0.988 398 E CA 1.602 58.230 56.400 0.379 0.000 0.834 398 E CB -0.250 29.730 29.700 0.466 0.000 0.772 398 E HN 0.077 nan 8.360 nan 0.000 0.479 399 T N 0.768 115.458 114.554 0.227 0.000 2.746 399 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 399 T C 1.947 176.664 174.700 0.029 0.000 1.039 399 T CA 1.391 63.551 62.100 0.099 0.000 1.142 399 T CB -0.097 68.811 68.868 0.067 0.000 0.866 399 T HN 0.243 nan 8.240 nan 0.000 0.444 400 A N 1.168 123.972 122.820 -0.026 0.000 1.911 400 A HA 0.192 4.512 4.320 -0.000 0.000 0.212 400 A C 1.308 178.813 177.584 -0.131 0.000 1.189 400 A CA 0.342 52.315 52.037 -0.107 0.000 0.639 400 A CB 0.138 19.023 19.000 -0.191 0.000 0.839 400 A HN 0.297 nan 8.150 nan 0.000 0.449 401 R N 0.313 120.701 120.500 -0.186 0.000 2.514 401 R HA 0.273 4.612 4.340 -0.000 0.000 0.301 401 R C -0.855 175.499 176.300 0.090 0.000 0.962 401 R CA -0.686 55.354 56.100 -0.099 0.000 0.882 401 R CB 0.996 31.143 30.300 -0.254 0.000 1.143 401 R HN 0.508 nan 8.270 nan 0.000 0.452 402 H N 1.916 121.016 119.070 0.049 0.000 2.929 402 H HA 0.048 4.604 4.556 -0.000 0.000 0.317 402 H C -0.965 174.435 175.328 0.119 0.000 1.031 402 H CA 0.980 57.080 56.048 0.086 0.000 1.466 402 H CB 0.907 30.700 29.762 0.052 0.000 1.482 402 H HN 0.416 nan 8.280 nan 0.000 0.561 403 T N 6.718 121.186 114.554 -0.144 0.000 2.841 403 T HA 0.268 4.618 4.350 -0.000 0.000 0.283 403 T C -1.583 173.074 174.700 -0.071 0.000 1.000 403 T CA -1.821 60.297 62.100 0.029 0.000 0.977 403 T CB 1.327 70.273 68.868 0.130 0.000 0.979 403 T HN 0.547 nan 8.240 nan 0.000 0.446 404 P HA 0.151 nan 4.420 nan 0.000 0.223 404 P C 0.213 177.528 177.300 0.025 0.000 1.151 404 P CA 0.350 63.478 63.100 0.046 0.000 0.787 404 P CB 0.147 31.877 31.700 0.050 0.000 0.788 405 I N 0.022 120.595 120.570 0.005 0.000 2.447 405 I HA 0.328 4.497 4.170 -0.000 0.000 0.287 405 I C -1.095 174.998 176.117 -0.041 0.000 1.023 405 I CA -1.334 59.952 61.300 -0.023 0.000 1.083 405 I CB 1.369 39.356 38.000 -0.020 0.000 1.245 405 I HN -0.268 nan 8.210 nan 0.000 0.434 406 N N 5.805 124.432 118.700 -0.121 0.000 2.817 406 N HA 0.094 4.834 4.740 -0.000 0.000 0.234 406 N C 0.899 176.204 175.510 -0.342 0.000 1.066 406 N CA 0.201 53.126 53.050 -0.209 0.000 0.926 406 N CB 1.268 39.520 38.487 -0.393 0.000 1.176 406 N HN 0.809 nan 8.380 nan 0.000 0.506 407 S N 1.402 117.032 115.700 -0.117 0.000 2.419 407 S HA -0.128 4.341 4.470 -0.000 0.000 0.235 407 S C 1.836 176.410 174.600 -0.043 0.000 1.019 407 S CA 0.218 58.378 58.200 -0.067 0.000 0.982 407 S CB -0.425 62.783 63.200 0.014 0.000 0.789 407 S HN 0.787 nan 8.310 nan 0.000 0.490 408 W N 1.133 122.385 121.300 -0.080 0.000 2.374 408 W HA -0.033 4.627 4.660 0.000 0.000 0.288 408 W C 1.598 178.019 176.519 -0.164 0.000 1.218 408 W CA 0.429 57.686 57.345 -0.147 0.000 1.245 408 W CB -0.936 28.233 29.460 -0.485 0.000 1.126 408 W HN 0.359 nan 8.180 nan 0.000 0.545 409 L N 2.798 123.309 121.223 -1.187 0.000 2.072 409 L HA 0.202 4.541 4.340 -0.000 0.000 0.205 409 L C 2.707 179.343 176.870 -0.391 0.000 1.079 409 L CA 2.625 56.830 54.840 -1.059 0.000 0.752 409 L CB -1.398 39.867 42.059 -1.324 0.000 0.906 409 L HN 0.051 nan 8.230 nan 0.000 0.436 410 G N -0.542 108.081 108.800 -0.295 0.000 2.442 410 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.219 410 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.219 410 G C 1.500 176.424 174.900 0.041 0.000 1.141 410 G CA 0.837 45.872 45.100 -0.109 0.000 0.763 410 G HN 0.434 nan 8.290 nan 0.000 0.554 411 N N 0.311 119.087 118.700 0.127 0.000 2.250 411 N HA 0.044 4.784 4.740 -0.000 0.000 0.181 411 N C 2.291 177.963 175.510 0.270 0.000 1.017 411 N CA 0.427 53.690 53.050 0.354 0.000 0.866 411 N CB -0.044 38.714 38.487 0.453 0.000 0.985 411 N HN 0.330 nan 8.380 nan 0.000 0.429 412 I N 0.988 121.655 120.570 0.162 0.000 2.179 412 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 412 I C 2.053 178.221 176.117 0.084 0.000 1.088 412 I CA 0.978 62.347 61.300 0.115 0.000 1.357 412 I CB -0.181 37.922 38.000 0.173 0.000 1.051 412 I HN 0.022 nan 8.210 nan 0.000 0.409 413 I N -0.008 120.612 120.570 0.083 0.000 2.142 413 I HA -0.308 3.862 4.170 -0.000 0.000 0.240 413 I C 2.513 178.741 176.117 0.186 0.000 1.078 413 I CA 1.355 62.731 61.300 0.126 0.000 1.343 413 I CB -0.216 37.842 38.000 0.097 0.000 1.046 413 I HN 0.216 nan 8.210 nan 0.000 0.405 414 M N -0.912 118.735 119.600 0.079 0.000 2.288 414 M HA -0.101 4.378 4.480 -0.000 0.000 0.266 414 M C 1.046 177.194 176.300 -0.254 0.000 1.072 414 M CA 1.674 56.928 55.300 -0.077 0.000 1.132 414 M CB -0.690 31.776 32.600 -0.224 0.000 1.386 414 M HN 0.209 nan 8.290 nan 0.000 0.432 415 Y N -0.628 119.680 120.300 0.014 0.000 2.720 415 Y HA 0.480 5.030 4.550 -0.000 0.000 0.268 415 Y C 1.817 177.437 175.900 -0.467 0.000 1.142 415 Y CA -0.254 57.718 58.100 -0.213 0.000 1.193 415 Y CB -0.822 37.460 38.460 -0.297 0.000 1.176 415 Y HN 0.152 nan 8.280 nan 0.000 0.542 416 A N 1.156 123.763 122.820 -0.356 0.000 1.915 416 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 416 A C -0.302 176.963 177.584 -0.532 0.000 1.198 416 A CA 1.957 53.735 52.037 -0.431 0.000 0.647 416 A CB -1.509 17.234 19.000 -0.428 0.000 0.825 416 A HN 0.294 nan 8.150 nan 0.000 0.456 417 P HA -0.012 nan 4.420 nan 0.000 0.226 417 P C 0.717 177.688 177.300 -0.549 0.000 1.153 417 P CA 1.374 64.139 63.100 -0.557 0.000 0.777 417 P CB -0.595 30.792 31.700 -0.523 0.000 0.794 418 T N -2.431 111.813 114.554 -0.517 0.000 2.930 418 T HA 0.061 4.411 4.350 -0.000 0.000 0.306 418 T C 1.202 175.472 174.700 -0.717 0.000 1.045 418 T CA -0.598 61.155 62.100 -0.578 0.000 1.134 418 T CB 0.447 68.743 68.868 -0.954 0.000 0.961 418 T HN -0.199 nan 8.240 nan 0.000 0.545 419 L N 2.783 123.524 121.223 -0.803 0.000 2.021 419 L HA -0.100 4.240 4.340 -0.000 0.000 0.215 419 L C 2.421 178.994 176.870 -0.495 0.000 1.074 419 L CA 2.107 56.473 54.840 -0.791 0.000 0.760 419 L CB -0.916 40.655 42.059 -0.813 0.000 0.889 419 L HN 0.951 nan 8.230 nan 0.000 0.433 420 W N -1.316 119.790 121.300 -0.324 0.000 2.418 420 W HA 0.064 4.724 4.660 -0.000 0.000 0.292 420 W C 2.064 178.456 176.519 -0.212 0.000 1.213 420 W CA 0.778 57.965 57.345 -0.264 0.000 1.283 420 W CB -1.421 27.920 29.460 -0.198 0.000 1.119 420 W HN 0.311 nan 8.180 nan 0.000 0.542 421 A N 1.670 124.093 122.820 -0.661 0.000 1.969 421 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 421 A C 2.258 179.704 177.584 -0.230 0.000 1.169 421 A CA 1.582 53.359 52.037 -0.433 0.000 0.635 421 A CB -0.674 17.907 19.000 -0.699 0.000 0.810 421 A HN 0.310 nan 8.150 nan 0.000 0.445 422 R N -1.249 119.030 120.500 -0.368 0.000 2.057 422 R HA 0.137 4.476 4.340 -0.000 0.000 0.224 422 R C 2.255 178.368 176.300 -0.311 0.000 1.136 422 R CA 1.486 57.380 56.100 -0.343 0.000 0.968 422 R CB -0.283 29.667 30.300 -0.583 0.000 0.863 422 R HN 0.497 nan 8.270 nan 0.000 0.433 423 M N -0.255 119.029 119.600 -0.528 0.000 2.236 423 M HA -0.010 4.470 4.480 -0.000 0.000 0.266 423 M C 1.941 178.105 176.300 -0.227 0.000 1.070 423 M CA 1.506 56.539 55.300 -0.444 0.000 1.137 423 M CB 0.093 32.380 32.600 -0.521 0.000 1.378 423 M HN 0.111 nan 8.290 nan 0.000 0.426 424 I N -0.897 119.426 120.570 -0.412 0.000 2.726 424 I HA -0.117 4.053 4.170 -0.000 0.000 0.243 424 I C 2.007 177.960 176.117 -0.274 0.000 1.082 424 I CA 0.214 61.038 61.300 -0.793 0.000 1.447 424 I CB -0.194 37.360 38.000 -0.744 0.000 1.250 424 I HN 0.100 nan 8.210 nan 0.000 0.453 425 L N 0.389 121.635 121.223 0.039 0.000 1.994 425 L HA -0.165 4.174 4.340 -0.000 0.000 0.208 425 L C 2.538 179.702 176.870 0.491 0.000 1.071 425 L CA 2.114 57.157 54.840 0.339 0.000 0.745 425 L CB -0.804 41.487 42.059 0.387 0.000 0.892 425 L HN 0.199 nan 8.230 nan 0.000 0.431 426 M N -1.576 118.290 119.600 0.444 0.000 2.080 426 M HA -0.224 4.256 4.480 -0.000 0.000 0.260 426 M C 2.105 178.945 176.300 0.899 0.000 1.068 426 M CA 2.226 57.930 55.300 0.673 0.000 1.109 426 M CB -0.709 32.142 32.600 0.418 0.000 1.342 426 M HN 0.267 nan 8.290 nan 0.000 0.405 427 T N -1.212 113.826 114.554 0.808 0.000 2.684 427 T HA -0.235 4.114 4.350 -0.000 0.000 0.267 427 T C 1.729 176.759 174.700 0.551 0.000 1.036 427 T CA 1.551 64.096 62.100 0.741 0.000 1.148 427 T CB -0.683 68.650 68.868 0.773 0.000 0.863 427 T HN 0.496 nan 8.240 nan 0.000 0.436 428 H N -0.295 118.983 119.070 0.348 0.000 2.293 428 H HA -0.067 4.488 4.556 -0.000 0.000 0.300 428 H C 2.014 177.296 175.328 -0.077 0.000 1.082 428 H CA 1.577 57.713 56.048 0.147 0.000 1.308 428 H CB -0.199 29.512 29.762 -0.085 0.000 1.375 428 H HN 0.359 nan 8.280 nan 0.000 0.495 429 F N -0.419 119.497 119.950 -0.057 0.000 2.293 429 F HA -0.054 4.473 4.527 -0.000 0.000 0.297 429 F C 2.285 177.941 175.800 -0.240 0.000 1.089 429 F CA 0.464 58.212 58.000 -0.419 0.000 1.377 429 F CB -0.457 38.017 39.000 -0.877 0.000 1.051 429 F HN 0.088 nan 8.300 nan 0.000 0.511 430 F N -0.348 119.737 119.950 0.225 0.000 2.134 430 F HA -0.226 4.300 4.527 -0.000 0.000 0.299 430 F C 2.807 178.649 175.800 0.070 0.000 1.097 430 F CA 1.660 59.785 58.000 0.208 0.000 1.264 430 F CB -1.135 38.068 39.000 0.338 0.000 1.001 430 F HN -0.096 nan 8.300 nan 0.000 0.479 431 S N 0.509 116.322 115.700 0.189 0.000 2.368 431 S HA -0.220 4.250 4.470 -0.000 0.000 0.226 431 S C 2.189 176.761 174.600 -0.046 0.000 1.044 431 S CA 1.715 59.940 58.200 0.040 0.000 1.062 431 S CB -0.475 62.737 63.200 0.020 0.000 0.931 431 S HN 0.198 nan 8.310 nan 0.000 0.440 432 I N 0.917 121.379 120.570 -0.179 0.000 2.127 432 I HA -0.121 4.049 4.170 -0.000 0.000 0.241 432 I C 2.430 178.501 176.117 -0.076 0.000 1.075 432 I CA 1.153 62.328 61.300 -0.208 0.000 1.334 432 I CB -1.406 36.350 38.000 -0.407 0.000 1.040 432 I HN 0.340 nan 8.210 nan 0.000 0.405 433 L N 0.002 121.201 121.223 -0.039 0.000 2.046 433 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 433 L C 2.372 179.276 176.870 0.058 0.000 1.077 433 L CA 1.453 56.306 54.840 0.022 0.000 0.747 433 L CB -0.888 41.174 42.059 0.006 0.000 0.896 433 L HN 0.149 nan 8.230 nan 0.000 0.432 434 L N -0.519 120.756 121.223 0.087 0.000 2.012 434 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 434 L C 2.551 179.448 176.870 0.046 0.000 1.073 434 L CA 2.287 57.181 54.840 0.090 0.000 0.748 434 L CB -1.484 40.636 42.059 0.101 0.000 0.891 434 L HN 0.343 nan 8.230 nan 0.000 0.431 435 A N -1.352 121.481 122.820 0.020 0.000 2.070 435 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 435 A C 1.941 179.531 177.584 0.009 0.000 1.159 435 A CA 1.345 53.385 52.037 0.005 0.000 0.656 435 A CB -0.300 18.690 19.000 -0.017 0.000 0.800 435 A HN 0.675 nan 8.150 nan 0.000 0.453 436 Q N -1.204 118.606 119.800 0.016 0.000 2.247 436 Q HA 0.158 4.498 4.340 -0.000 0.000 0.211 436 Q C -0.813 175.210 176.000 0.038 0.000 0.861 436 Q CA 0.059 55.876 55.803 0.024 0.000 0.949 436 Q CB 0.386 29.139 28.738 0.025 0.000 1.115 436 Q HN 0.711 nan 8.270 nan 0.000 0.507 437 E N 0.715 120.942 120.200 0.044 0.000 2.320 437 E HA -0.225 4.125 4.350 -0.000 0.000 0.234 437 E C -0.349 176.288 176.600 0.063 0.000 1.183 437 E CA 0.139 56.571 56.400 0.053 0.000 0.713 437 E CB -0.904 28.822 29.700 0.043 0.000 1.226 437 E HN 0.364 nan 8.360 nan 0.000 0.382 438 Q N -0.107 119.736 119.800 0.071 0.000 2.165 438 Q HA 0.125 4.465 4.340 -0.000 0.000 0.245 438 Q C 1.274 177.329 176.000 0.092 0.000 0.841 438 Q CA -0.290 55.562 55.803 0.080 0.000 1.078 438 Q CB 0.620 29.409 28.738 0.084 0.000 1.169 438 Q HN 0.275 nan 8.270 nan 0.000 0.475 439 L N 0.172 121.457 121.223 0.102 0.000 2.056 439 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 439 L C 1.903 178.841 176.870 0.114 0.000 1.078 439 L CA 1.767 56.683 54.840 0.127 0.000 0.749 439 L CB -0.806 41.350 42.059 0.162 0.000 0.901 439 L HN 0.264 nan 8.230 nan 0.000 0.433 440 E N -0.041 120.216 120.200 0.096 0.000 2.047 440 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 440 E C 1.034 177.683 176.600 0.082 0.000 0.987 440 E CA 0.478 56.929 56.400 0.084 0.000 0.799 440 E CB -0.031 29.711 29.700 0.071 0.000 0.752 440 E HN 0.152 nan 8.360 nan 0.000 0.449 441 K N 1.489 121.938 120.400 0.083 0.000 2.405 441 K HA -0.012 4.308 4.320 -0.000 0.000 0.273 441 K C -0.596 176.055 176.600 0.085 0.000 1.116 441 K CA -0.103 56.234 56.287 0.084 0.000 1.155 441 K CB 0.166 32.721 32.500 0.091 0.000 0.858 441 K HN 0.077 nan 8.250 nan 0.000 0.477 442 A N 5.082 127.949 122.820 0.079 0.000 2.466 442 A HA 0.285 4.605 4.320 -0.000 0.000 0.238 442 A C -0.208 177.417 177.584 0.068 0.000 1.074 442 A CA -0.023 52.057 52.037 0.071 0.000 0.774 442 A CB 0.308 19.353 19.000 0.075 0.000 1.015 442 A HN 0.761 nan 8.150 nan 0.000 0.498 443 L N 1.230 122.474 121.223 0.035 0.000 2.401 443 L HA 0.361 4.701 4.340 -0.000 0.000 0.266 443 L C -1.089 175.766 176.870 -0.025 0.000 0.991 443 L CA -1.017 53.826 54.840 0.005 0.000 0.818 443 L CB 2.215 44.248 42.059 -0.043 0.000 1.321 443 L HN 0.592 nan 8.230 nan 0.000 0.413 444 D N 1.548 121.943 120.400 -0.008 0.000 2.264 444 D HA 0.428 5.068 4.640 -0.000 0.000 0.250 444 D C -0.329 175.914 176.300 -0.094 0.000 1.113 444 D CA 0.011 54.008 54.000 -0.006 0.000 0.871 444 D CB 1.406 42.245 40.800 0.065 0.000 1.167 444 D HN 0.587 nan 8.370 nan 0.000 0.447 445 C N 1.527 120.763 119.300 -0.105 0.000 3.259 445 C HA 0.846 5.306 4.460 -0.000 0.000 0.328 445 C C -1.559 173.384 174.990 -0.078 0.000 1.425 445 C CA -0.799 58.130 59.018 -0.148 0.000 1.465 445 C CB 1.475 29.064 27.740 -0.251 0.000 1.890 445 C HN 0.683 nan 8.230 nan 0.000 0.450 446 Q N 1.197 120.952 119.800 -0.075 0.000 2.271 446 Q HA 0.745 5.085 4.340 -0.000 0.000 0.268 446 Q C -1.936 174.042 176.000 -0.037 0.000 1.021 446 Q CA -0.481 55.308 55.803 -0.023 0.000 0.802 446 Q CB 1.621 30.341 28.738 -0.030 0.000 1.282 446 Q HN 0.669 nan 8.270 nan 0.000 0.431 447 I N 3.294 123.833 120.570 -0.050 0.000 2.354 447 I HA 0.267 4.437 4.170 -0.000 0.000 0.292 447 I C -0.724 175.397 176.117 0.005 0.000 0.989 447 I CA -0.404 60.779 61.300 -0.194 0.000 1.188 447 I CB 0.711 38.315 38.000 -0.659 0.000 1.342 447 I HN 0.565 nan 8.210 nan 0.000 0.457 448 Y N 5.270 125.600 120.300 0.051 0.000 3.491 448 Y HA -0.223 4.327 4.550 -0.000 0.000 0.215 448 Y C 1.607 177.469 175.900 -0.062 0.000 1.219 448 Y CA 0.869 58.987 58.100 0.030 0.000 1.485 448 Y CB -2.015 36.459 38.460 0.024 0.000 1.450 448 Y HN 0.981 nan 8.280 nan 0.000 0.603 449 G N -2.091 106.787 108.800 0.130 0.000 2.267 449 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.257 449 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.257 449 G C 0.549 175.461 174.900 0.020 0.000 0.998 449 G CA 0.307 45.442 45.100 0.058 0.000 0.620 449 G HN 1.586 nan 8.290 nan 0.000 0.529 450 A N -0.527 122.310 122.820 0.029 0.000 2.340 450 A HA 0.612 4.932 4.320 -0.000 0.000 0.268 450 A C 0.713 178.078 177.584 -0.366 0.000 1.100 450 A CA 0.521 52.419 52.037 -0.232 0.000 0.803 450 A CB 0.832 19.670 19.000 -0.269 0.000 1.043 450 A HN 1.564 nan 8.150 nan 0.000 0.488 451 C N 2.415 121.387 119.300 -0.547 0.000 2.330 451 C HA 0.779 5.239 4.460 -0.000 0.000 0.344 451 C C -1.178 173.357 174.990 -0.759 0.000 1.273 451 C CA -0.529 58.245 59.018 -0.406 0.000 1.879 451 C CB -1.190 26.468 27.740 -0.138 0.000 2.376 451 C HN 0.644 nan 8.230 nan 0.000 0.534 452 Y N 3.093 123.185 120.300 -0.348 0.000 2.425 452 Y HA 0.411 4.961 4.550 -0.000 0.000 0.344 452 Y C 0.410 176.176 175.900 -0.223 0.000 0.969 452 Y CA -0.400 57.466 58.100 -0.390 0.000 1.052 452 Y CB 1.751 39.917 38.460 -0.490 0.000 1.215 452 Y HN 0.611 nan 8.280 nan 0.000 0.451 453 S N 4.229 119.908 115.700 -0.034 0.000 2.474 453 S HA 0.616 5.086 4.470 -0.000 0.000 0.276 453 S C -0.718 173.928 174.600 0.078 0.000 1.227 453 S CA -0.197 58.035 58.200 0.053 0.000 1.050 453 S CB -0.485 62.771 63.200 0.094 0.000 0.939 453 S HN 0.548 nan 8.310 nan 0.000 0.490 454 I N 4.098 124.700 120.570 0.054 0.000 2.533 454 I HA 0.319 4.489 4.170 -0.000 0.000 0.290 454 I C -0.197 175.947 176.117 0.045 0.000 1.056 454 I CA -0.603 60.735 61.300 0.065 0.000 1.057 454 I CB 2.184 40.206 38.000 0.037 0.000 1.240 454 I HN 0.579 nan 8.210 nan 0.000 0.423 455 E N 7.327 127.567 120.200 0.067 0.000 2.223 455 E HA 0.151 4.501 4.350 -0.000 0.000 0.282 455 E C -1.715 174.932 176.600 0.078 0.000 1.046 455 E CA -1.565 54.877 56.400 0.070 0.000 0.857 455 E CB 1.045 30.789 29.700 0.074 0.000 1.055 455 E HN 0.317 nan 8.360 nan 0.000 0.409 456 P HA -0.192 nan 4.420 nan 0.000 0.218 456 P C 0.770 178.196 177.300 0.211 0.000 1.146 456 P CA 1.211 64.369 63.100 0.096 0.000 0.820 456 P CB 0.205 31.933 31.700 0.048 0.000 0.778 457 L N -1.301 120.037 121.223 0.192 0.000 2.599 457 L HA 0.015 4.355 4.340 -0.000 0.000 0.230 457 L C 1.114 178.066 176.870 0.136 0.000 1.141 457 L CA 0.687 55.652 54.840 0.208 0.000 0.877 457 L CB -0.506 41.650 42.059 0.162 0.000 1.009 457 L HN -0.123 nan 8.230 nan 0.000 0.447 458 D N -0.434 120.032 120.400 0.111 0.000 2.339 458 D HA -0.003 4.637 4.640 -0.000 0.000 0.217 458 D C 2.099 178.444 176.300 0.075 0.000 1.050 458 D CA 0.160 54.198 54.000 0.063 0.000 0.856 458 D CB 0.470 41.294 40.800 0.041 0.000 0.922 458 D HN 0.097 nan 8.370 nan 0.000 0.518 459 L N 1.126 122.438 121.223 0.147 0.000 2.042 459 L HA -0.093 4.247 4.340 -0.000 0.000 0.210 459 L C -0.564 176.410 176.870 0.173 0.000 1.076 459 L CA 1.974 56.923 54.840 0.181 0.000 0.749 459 L CB -1.937 40.304 42.059 0.303 0.000 0.893 459 L HN 0.046 nan 8.230 nan 0.000 0.432 460 P HA -0.167 nan 4.420 nan 0.000 0.215 460 P C 1.639 178.972 177.300 0.054 0.000 1.157 460 P CA 1.156 64.302 63.100 0.077 0.000 0.868 460 P CB 0.056 31.618 31.700 -0.231 0.000 0.788 461 Q N -0.509 119.261 119.800 -0.050 0.000 2.045 461 Q HA -0.180 4.160 4.340 -0.000 0.000 0.206 461 Q C 2.195 178.171 176.000 -0.040 0.000 0.991 461 Q CA 1.665 57.427 55.803 -0.069 0.000 0.851 461 Q CB -1.101 27.587 28.738 -0.085 0.000 0.911 461 Q HN 0.239 nan 8.270 nan 0.000 0.418 462 I N -0.248 120.301 120.570 -0.034 0.000 2.226 462 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 462 I C 1.995 178.102 176.117 -0.016 0.000 1.100 462 I CA 1.106 62.357 61.300 -0.082 0.000 1.374 462 I CB -0.213 37.761 38.000 -0.043 0.000 1.057 462 I HN 0.204 nan 8.210 nan 0.000 0.413 463 I N 0.301 120.934 120.570 0.106 0.000 2.252 463 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 463 I C 2.590 178.749 176.117 0.070 0.000 1.102 463 I CA 1.277 62.661 61.300 0.140 0.000 1.385 463 I CB -0.338 37.742 38.000 0.133 0.000 1.064 463 I HN 0.258 nan 8.210 nan 0.000 0.414 464 E N 0.989 121.291 120.200 0.169 0.000 2.085 464 E HA -0.303 4.047 4.350 -0.000 0.000 0.194 464 E C 2.291 178.896 176.600 0.008 0.000 0.994 464 E CA 1.380 57.867 56.400 0.145 0.000 0.801 464 E CB 0.088 29.892 29.700 0.172 0.000 0.743 464 E HN 0.178 nan 8.360 nan 0.000 0.453 465 R N 0.142 120.611 120.500 -0.051 0.000 2.073 465 R HA 0.012 4.352 4.340 -0.000 0.000 0.229 465 R C 2.337 178.533 176.300 -0.173 0.000 1.120 465 R CA 1.029 57.061 56.100 -0.112 0.000 0.967 465 R CB -0.226 29.978 30.300 -0.160 0.000 0.862 465 R HN 0.232 nan 8.270 nan 0.000 0.436 466 L N -0.854 120.225 121.223 -0.239 0.000 2.156 466 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 466 L C 1.426 177.919 176.870 -0.629 0.000 1.095 466 L CA 1.239 55.796 54.840 -0.472 0.000 0.770 466 L CB -0.369 41.356 42.059 -0.556 0.000 0.914 466 L HN 0.416 nan 8.230 nan 0.000 0.439 467 H N -1.393 117.592 119.070 -0.143 0.000 3.241 467 H HA 0.298 4.854 4.556 -0.000 0.000 0.260 467 H C 1.005 176.260 175.328 -0.122 0.000 1.084 467 H CA 0.756 56.715 56.048 -0.148 0.000 1.203 467 H CB 1.165 30.805 29.762 -0.204 0.000 1.524 467 H HN 0.284 nan 8.280 nan 0.000 0.521 468 G N 1.241 110.038 108.800 -0.004 0.000 2.757 468 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.638 468 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.638 468 G C 0.205 175.117 174.900 0.020 0.000 1.344 468 G CA -0.084 45.023 45.100 0.012 0.000 0.855 468 G HN 0.189 nan 8.290 nan 0.000 0.537 469 L N 1.096 122.372 121.223 0.088 0.000 2.418 469 L HA 0.181 4.521 4.340 -0.000 0.000 0.218 469 L C 2.995 179.952 176.870 0.144 0.000 1.125 469 L CA 2.480 57.452 54.840 0.219 0.000 0.835 469 L CB -0.326 41.876 42.059 0.238 0.000 0.953 469 L HN 1.069 nan 8.230 nan 0.000 0.454 470 S N -0.987 114.730 115.700 0.029 0.000 2.419 470 S HA -0.133 4.337 4.470 -0.000 0.000 0.233 470 S C 2.126 176.661 174.600 -0.109 0.000 1.016 470 S CA 0.729 58.921 58.200 -0.014 0.000 0.974 470 S CB -0.762 62.414 63.200 -0.040 0.000 0.786 470 S HN 0.396 nan 8.310 nan 0.000 0.492 471 A N 0.829 123.498 122.820 -0.252 0.000 2.076 471 A HA 0.067 4.387 4.320 -0.000 0.000 0.220 471 A C 1.472 178.774 177.584 -0.469 0.000 1.160 471 A CA 1.121 52.882 52.037 -0.460 0.000 0.653 471 A CB -0.875 17.744 19.000 -0.636 0.000 0.801 471 A HN 0.597 nan 8.150 nan 0.000 0.455 472 F N -0.674 119.286 119.950 0.017 0.000 2.727 472 F HA 0.138 4.665 4.527 -0.000 0.000 0.302 472 F C 1.895 177.738 175.800 0.071 0.000 1.097 472 F CA 1.036 59.071 58.000 0.058 0.000 1.330 472 F CB 0.136 39.200 39.000 0.105 0.000 1.084 472 F HN 0.259 nan 8.300 nan 0.000 0.578 473 T N -3.479 111.174 114.554 0.165 0.000 3.087 473 T HA 0.320 4.670 4.350 -0.000 0.000 0.283 473 T C 0.371 175.150 174.700 0.132 0.000 0.956 473 T CA -0.087 62.107 62.100 0.156 0.000 0.894 473 T CB -0.449 68.502 68.868 0.137 0.000 1.160 473 T HN -0.078 nan 8.240 nan 0.000 0.532 474 L N 2.620 123.836 121.223 -0.012 0.000 2.483 474 L HA 0.322 4.662 4.340 -0.000 0.000 0.276 474 L C 1.515 178.319 176.870 -0.111 0.000 1.213 474 L CA 0.386 55.103 54.840 -0.206 0.000 0.843 474 L CB 0.349 42.131 42.059 -0.462 0.000 1.107 474 L HN 0.612 nan 8.230 nan 0.000 0.487 475 H N -2.552 116.340 119.070 -0.296 0.000 2.192 475 H HA 0.140 4.696 4.556 -0.000 0.000 0.176 475 H C 0.433 175.689 175.328 -0.119 0.000 0.901 475 H CA -0.178 55.799 56.048 -0.120 0.000 0.923 475 H CB 0.182 29.939 29.762 -0.008 0.000 1.057 475 H HN 0.374 nan 8.280 nan 0.000 0.394 476 S N 1.947 117.403 115.700 -0.406 0.000 3.940 476 S HA 0.210 4.680 4.470 -0.000 0.000 0.210 476 S C -1.035 173.504 174.600 -0.101 0.000 1.419 476 S CA -0.574 57.522 58.200 -0.173 0.000 0.912 476 S CB -1.017 61.975 63.200 -0.348 0.000 1.489 476 S HN 0.217 nan 8.310 nan 0.000 0.469 477 Y N 2.308 122.620 120.300 0.019 0.000 2.379 477 Y HA 0.135 4.685 4.550 -0.000 0.000 0.337 477 Y C 1.436 177.376 175.900 0.067 0.000 1.238 477 Y CA -0.347 57.789 58.100 0.060 0.000 1.405 477 Y CB 0.408 38.898 38.460 0.050 0.000 1.310 477 Y HN 0.470 nan 8.280 nan 0.000 0.569 478 S N 2.591 118.439 115.700 0.248 0.000 2.560 478 S HA 0.076 4.546 4.470 -0.000 0.000 0.284 478 S C -1.989 172.690 174.600 0.131 0.000 1.327 478 S CA -1.130 57.159 58.200 0.148 0.000 1.055 478 S CB 1.107 64.374 63.200 0.111 0.000 0.868 478 S HN 0.465 nan 8.310 nan 0.000 0.506 479 P HA -0.037 nan 4.420 nan 0.000 0.217 479 P C 1.746 179.085 177.300 0.064 0.000 1.148 479 P CA 1.630 64.774 63.100 0.073 0.000 0.828 479 P CB -0.428 31.304 31.700 0.054 0.000 0.783 480 G N 0.128 108.964 108.800 0.060 0.000 2.446 480 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.217 480 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.217 480 G C 1.671 176.604 174.900 0.054 0.000 1.168 480 G CA 1.061 46.189 45.100 0.047 0.000 0.771 480 G HN 0.269 nan 8.290 nan 0.000 0.551 481 E N 0.464 120.714 120.200 0.084 0.000 2.106 481 E HA -0.009 4.341 4.350 -0.000 0.000 0.192 481 E C 2.444 179.087 176.600 0.072 0.000 0.984 481 E CA 0.622 57.082 56.400 0.100 0.000 0.806 481 E CB -0.343 29.467 29.700 0.184 0.000 0.750 481 E HN 0.521 nan 8.360 nan 0.000 0.458 482 I N 0.470 121.083 120.570 0.072 0.000 2.226 482 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 482 I C 1.823 177.960 176.117 0.033 0.000 1.100 482 I CA 1.427 62.753 61.300 0.042 0.000 1.374 482 I CB -0.363 37.674 38.000 0.062 0.000 1.057 482 I HN 0.196 nan 8.210 nan 0.000 0.413 483 N N 0.186 118.907 118.700 0.036 0.000 2.142 483 N HA -0.146 4.594 4.740 -0.000 0.000 0.186 483 N C 2.024 177.543 175.510 0.014 0.000 1.023 483 N CA 0.506 53.571 53.050 0.026 0.000 0.852 483 N CB -0.099 38.404 38.487 0.026 0.000 0.998 483 N HN 0.171 nan 8.380 nan 0.000 0.424 484 R N 1.212 121.718 120.500 0.011 0.000 2.096 484 R HA -0.139 4.201 4.340 -0.000 0.000 0.240 484 R C 1.928 178.211 176.300 -0.029 0.000 1.139 484 R CA 1.324 57.417 56.100 -0.010 0.000 0.952 484 R CB -0.690 29.604 30.300 -0.010 0.000 0.854 484 R HN 0.138 nan 8.270 nan 0.000 0.436 485 V N 0.708 120.612 119.914 -0.016 0.000 2.343 485 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 485 V C 2.513 178.600 176.094 -0.012 0.000 1.051 485 V CA 1.895 64.179 62.300 -0.027 0.000 1.036 485 V CB -0.725 31.105 31.823 0.013 0.000 0.654 485 V HN 0.467 nan 8.190 nan 0.000 0.451 486 A N -0.860 121.965 122.820 0.008 0.000 1.930 486 A HA -0.162 4.157 4.320 -0.000 0.000 0.217 486 A C 2.485 180.081 177.584 0.021 0.000 1.175 486 A CA 1.955 54.007 52.037 0.025 0.000 0.627 486 A CB -0.599 18.421 19.000 0.032 0.000 0.815 486 A HN 0.482 nan 8.150 nan 0.000 0.443 487 S N -0.956 114.750 115.700 0.010 0.000 2.353 487 S HA -0.243 4.227 4.470 -0.000 0.000 0.222 487 S C 2.118 176.721 174.600 0.005 0.000 1.035 487 S CA 1.443 59.648 58.200 0.008 0.000 1.025 487 S CB -0.920 62.280 63.200 -0.001 0.000 0.902 487 S HN 0.818 nan 8.310 nan 0.000 0.440 488 C N 2.285 121.573 119.300 -0.019 0.000 2.398 488 C HA -0.069 4.391 4.460 -0.000 0.000 0.276 488 C C 2.450 177.437 174.990 -0.004 0.000 1.222 488 C CA 0.746 59.743 59.018 -0.033 0.000 1.746 488 C CB -1.709 25.973 27.740 -0.096 0.000 2.039 488 C HN 0.564 nan 8.230 nan 0.000 0.470 489 L N 0.293 121.520 121.223 0.008 0.000 1.989 489 L HA -0.163 4.177 4.340 -0.000 0.000 0.211 489 L C 3.059 179.967 176.870 0.063 0.000 1.071 489 L CA 2.147 57.013 54.840 0.042 0.000 0.749 489 L CB -1.018 41.082 42.059 0.069 0.000 0.890 489 L HN 0.376 nan 8.230 nan 0.000 0.431 490 R N 0.341 120.879 120.500 0.063 0.000 2.096 490 R HA -0.238 4.102 4.340 -0.000 0.000 0.240 490 R C 2.379 178.757 176.300 0.129 0.000 1.139 490 R CA 1.844 57.996 56.100 0.087 0.000 0.952 490 R CB -0.323 30.014 30.300 0.063 0.000 0.854 490 R HN 0.271 nan 8.270 nan 0.000 0.436 491 K N 0.756 121.208 120.400 0.087 0.000 2.113 491 K HA -0.153 4.166 4.320 -0.000 0.000 0.208 491 K C 1.600 178.305 176.600 0.175 0.000 1.047 491 K CA 1.383 57.720 56.287 0.084 0.000 0.928 491 K CB 0.044 32.569 32.500 0.041 0.000 0.716 491 K HN 0.178 nan 8.250 nan 0.000 0.446 492 L N -1.136 120.193 121.223 0.178 0.000 2.590 492 L HA 0.238 4.578 4.340 -0.000 0.000 0.227 492 L C 0.921 177.858 176.870 0.112 0.000 1.099 492 L CA 0.230 55.178 54.840 0.181 0.000 0.872 492 L CB 0.528 42.635 42.059 0.079 0.000 1.088 492 L HN 0.443 nan 8.230 nan 0.000 0.479 493 G N 1.369 110.201 108.800 0.053 0.000 2.246 493 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.273 493 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.273 493 G C 0.084 174.907 174.900 -0.128 0.000 1.055 493 G CA 0.044 44.972 45.100 -0.287 0.000 0.851 493 G HN 0.096 nan 8.290 nan 0.000 0.500 494 V N 2.120 122.037 119.914 0.005 0.000 2.555 494 V HA 0.333 4.452 4.120 -0.000 0.000 0.286 494 V C -0.841 175.338 176.094 0.141 0.000 1.044 494 V CA -1.139 61.221 62.300 0.102 0.000 1.026 494 V CB 1.156 33.056 31.823 0.130 0.000 0.981 494 V HN 0.318 nan 8.190 nan 0.000 0.480 495 P HA 0.141 nan 4.420 nan 0.000 0.267 495 P C -2.657 174.782 177.300 0.232 0.000 1.200 495 P CA -1.216 61.937 63.100 0.087 0.000 0.772 495 P CB -0.320 31.295 31.700 -0.142 0.000 0.855 496 P HA 0.049 nan 4.420 nan 0.000 0.267 496 P C 1.404 178.882 177.300 0.296 0.000 1.201 496 P CA 0.132 63.333 63.100 0.168 0.000 0.775 496 P CB 0.292 32.048 31.700 0.093 0.000 0.854 497 L N 1.989 123.377 121.223 0.275 0.000 2.043 497 L HA -0.256 4.084 4.340 -0.000 0.000 0.212 497 L C 2.568 179.636 176.870 0.330 0.000 1.075 497 L CA 1.834 56.864 54.840 0.315 0.000 0.752 497 L CB -0.615 41.523 42.059 0.131 0.000 0.891 497 L HN 0.486 nan 8.230 nan 0.000 0.432 498 R N -1.042 119.589 120.500 0.217 0.000 2.193 498 R HA -0.111 4.228 4.340 -0.000 0.000 0.229 498 R C 1.747 178.153 176.300 0.177 0.000 1.110 498 R CA 1.616 57.831 56.100 0.192 0.000 0.988 498 R CB -1.126 29.250 30.300 0.127 0.000 0.871 498 R HN 0.218 nan 8.270 nan 0.000 0.458 499 T N 0.412 115.044 114.554 0.129 0.000 2.915 499 T HA -0.077 4.273 4.350 -0.000 0.000 0.269 499 T C 0.853 175.523 174.700 -0.051 0.000 1.071 499 T CA 1.200 63.284 62.100 -0.027 0.000 1.132 499 T CB -0.162 68.605 68.868 -0.169 0.000 0.878 499 T HN 0.463 nan 8.240 nan 0.000 0.479 500 W N 1.693 123.091 121.300 0.163 0.000 2.584 500 W HA 0.145 4.805 4.660 0.000 0.000 0.264 500 W C 2.354 179.068 176.519 0.324 0.000 1.264 500 W CA -0.356 57.127 57.345 0.231 0.000 1.306 500 W CB -0.109 29.492 29.460 0.234 0.000 1.110 500 W HN 0.033 nan 8.180 nan 0.000 0.606 501 R N -0.316 120.484 120.500 0.501 0.000 2.091 501 R HA -0.213 4.127 4.340 -0.000 0.000 0.238 501 R C 1.973 178.383 176.300 0.184 0.000 1.136 501 R CA 1.682 58.020 56.100 0.397 0.000 0.959 501 R CB -1.318 29.170 30.300 0.314 0.000 0.856 501 R HN 0.396 nan 8.270 nan 0.000 0.437 502 H N 1.248 120.364 119.070 0.077 0.000 2.363 502 H HA 0.020 4.576 4.556 -0.000 0.000 0.301 502 H C 1.992 177.305 175.328 -0.025 0.000 1.074 502 H CA 1.320 57.368 56.048 -0.001 0.000 1.354 502 H CB 0.214 29.963 29.762 -0.022 0.000 1.397 502 H HN 0.095 nan 8.280 nan 0.000 0.516 503 R N 0.155 120.719 120.500 0.107 0.000 2.105 503 R HA -0.094 4.246 4.340 -0.000 0.000 0.239 503 R C 2.562 178.828 176.300 -0.058 0.000 1.135 503 R CA 1.090 57.213 56.100 0.039 0.000 0.967 503 R CB -0.220 30.139 30.300 0.098 0.000 0.861 503 R HN 0.292 nan 8.270 nan 0.000 0.442 504 A N 1.083 123.899 122.820 -0.007 0.000 1.898 504 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 504 A C 2.093 179.413 177.584 -0.439 0.000 1.181 504 A CA 1.091 52.984 52.037 -0.240 0.000 0.620 504 A CB -0.327 18.605 19.000 -0.112 0.000 0.819 504 A HN 0.201 nan 8.150 nan 0.000 0.442 505 R N -0.766 119.535 120.500 -0.331 0.000 2.096 505 R HA -0.095 4.245 4.340 -0.000 0.000 0.235 505 R C 2.639 178.751 176.300 -0.313 0.000 1.127 505 R CA 1.379 57.287 56.100 -0.319 0.000 0.968 505 R CB -0.353 29.784 30.300 -0.272 0.000 0.861 505 R HN 0.554 nan 8.270 nan 0.000 0.440 506 S N 0.097 115.598 115.700 -0.332 0.000 2.343 506 S HA -0.115 4.355 4.470 -0.000 0.000 0.219 506 S C 1.994 176.456 174.600 -0.229 0.000 1.033 506 S CA 1.407 59.448 58.200 -0.266 0.000 1.014 506 S CB -0.135 62.924 63.200 -0.235 0.000 0.915 506 S HN 0.116 nan 8.310 nan 0.000 0.435 507 V N 3.070 122.815 119.914 -0.280 0.000 2.407 507 V HA -0.121 3.999 4.120 -0.000 0.000 0.248 507 V C 2.756 178.639 176.094 -0.351 0.000 1.055 507 V CA 2.034 64.154 62.300 -0.301 0.000 1.049 507 V CB -0.841 30.745 31.823 -0.396 0.000 0.662 507 V HN 0.465 nan 8.190 nan 0.000 0.455 508 R N 0.545 120.765 120.500 -0.466 0.000 2.096 508 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 508 R C 2.192 178.391 176.300 -0.170 0.000 1.127 508 R CA 1.783 57.699 56.100 -0.307 0.000 0.968 508 R CB -0.389 29.742 30.300 -0.280 0.000 0.861 508 R HN 0.480 nan 8.270 nan 0.000 0.440 509 A N 1.298 124.016 122.820 -0.170 0.000 1.898 509 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 509 A C 2.067 179.601 177.584 -0.083 0.000 1.181 509 A CA 1.378 53.345 52.037 -0.116 0.000 0.620 509 A CB -0.228 18.700 19.000 -0.119 0.000 0.819 509 A HN 0.338 nan 8.150 nan 0.000 0.442 510 K N -0.348 120.000 120.400 -0.087 0.000 2.148 510 K HA 0.054 4.374 4.320 -0.000 0.000 0.204 510 K C 1.730 178.316 176.600 -0.022 0.000 1.050 510 K CA 1.023 57.281 56.287 -0.048 0.000 0.942 510 K CB -0.298 32.175 32.500 -0.044 0.000 0.724 510 K HN 0.432 nan 8.250 nan 0.000 0.446 511 L N 0.675 121.879 121.223 -0.032 0.000 2.093 511 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 511 L C 2.039 178.911 176.870 0.003 0.000 1.085 511 L CA 0.978 55.821 54.840 0.004 0.000 0.755 511 L CB -0.257 41.799 42.059 -0.006 0.000 0.904 511 L HN 0.159 nan 8.230 nan 0.000 0.435 512 L N -1.471 119.740 121.223 -0.019 0.000 2.313 512 L HA -0.082 4.257 4.340 -0.000 0.000 0.214 512 L C 2.554 179.418 176.870 -0.010 0.000 1.119 512 L CA 0.359 55.190 54.840 -0.016 0.000 0.809 512 L CB -0.409 41.631 42.059 -0.032 0.000 0.933 512 L HN 0.143 nan 8.230 nan 0.000 0.449 513 S N -0.171 115.521 115.700 -0.012 0.000 2.382 513 S HA -0.199 4.271 4.470 -0.000 0.000 0.228 513 S C 1.846 176.449 174.600 0.004 0.000 1.027 513 S CA 1.203 59.399 58.200 -0.007 0.000 0.991 513 S CB -0.174 63.021 63.200 -0.009 0.000 0.823 513 S HN 0.521 nan 8.310 nan 0.000 0.469 514 Q N 0.583 120.391 119.800 0.014 0.000 2.432 514 Q HA 0.214 4.554 4.340 -0.000 0.000 0.205 514 Q C 1.535 177.550 176.000 0.024 0.000 0.945 514 Q CA 0.314 56.132 55.803 0.025 0.000 0.924 514 Q CB -0.185 28.578 28.738 0.041 0.000 1.016 514 Q HN 0.545 nan 8.270 nan 0.000 0.503 515 G N 0.849 109.660 108.800 0.018 0.000 2.581 515 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.291 515 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.291 515 G C 0.576 175.492 174.900 0.027 0.000 1.277 515 G CA 0.125 45.236 45.100 0.018 0.000 0.959 515 G HN 0.730 nan 8.290 nan 0.000 0.554 516 G N -1.073 107.741 108.800 0.024 0.000 2.602 516 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.306 516 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.306 516 G C 1.175 176.094 174.900 0.032 0.000 1.301 516 G CA 1.624 46.740 45.100 0.027 0.000 0.974 516 G HN 1.371 nan 8.290 nan 0.000 0.547 517 R N 0.249 120.772 120.500 0.039 0.000 2.092 517 R HA 0.091 4.431 4.340 -0.000 0.000 0.231 517 R C 3.223 179.563 176.300 0.067 0.000 1.119 517 R CA 1.692 57.819 56.100 0.044 0.000 0.970 517 R CB -0.598 29.735 30.300 0.054 0.000 0.864 517 R HN 0.652 nan 8.270 nan 0.000 0.440 518 A N 1.563 124.432 122.820 0.082 0.000 1.892 518 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 518 A C 2.384 180.006 177.584 0.063 0.000 1.188 518 A CA 1.913 54.010 52.037 0.101 0.000 0.631 518 A CB -0.661 18.398 19.000 0.099 0.000 0.822 518 A HN 0.399 nan 8.150 nan 0.000 0.447 519 A N -1.325 121.521 122.820 0.044 0.000 2.015 519 A HA -0.026 4.294 4.320 -0.000 0.000 0.219 519 A C 2.213 179.824 177.584 0.043 0.000 1.163 519 A CA 2.089 54.145 52.037 0.030 0.000 0.646 519 A CB -1.067 17.946 19.000 0.021 0.000 0.806 519 A HN 0.449 nan 8.150 nan 0.000 0.448 520 T N -0.867 113.718 114.554 0.051 0.000 2.821 520 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 520 T C 1.848 176.592 174.700 0.073 0.000 1.046 520 T CA 1.486 63.632 62.100 0.077 0.000 1.139 520 T CB -0.615 68.245 68.868 -0.012 0.000 0.871 520 T HN 0.595 nan 8.240 nan 0.000 0.454 521 C N 1.468 120.781 119.300 0.021 0.000 2.425 521 C HA 0.053 4.513 4.460 -0.000 0.000 0.277 521 C C 3.057 178.033 174.990 -0.023 0.000 1.280 521 C CA 0.347 59.335 59.018 -0.050 0.000 1.744 521 C CB -1.532 26.127 27.740 -0.135 0.000 1.989 521 C HN 0.715 nan 8.230 nan 0.000 0.491 522 G N 0.431 109.250 108.800 0.032 0.000 2.433 522 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.216 522 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.216 522 G C 1.777 176.693 174.900 0.027 0.000 1.186 522 G CA 0.558 45.699 45.100 0.069 0.000 0.779 522 G HN 0.567 nan 8.290 nan 0.000 0.543 523 R N -1.012 119.479 120.500 -0.015 0.000 2.066 523 R HA -0.019 4.321 4.340 -0.000 0.000 0.232 523 R C 2.422 178.564 176.300 -0.263 0.000 1.131 523 R CA 1.474 57.488 56.100 -0.144 0.000 0.955 523 R CB -0.438 29.746 30.300 -0.193 0.000 0.851 523 R HN 0.473 nan 8.270 nan 0.000 0.432 524 Y N 0.506 120.648 120.300 -0.263 0.000 2.201 524 Y HA -0.016 4.534 4.550 -0.000 0.000 0.292 524 Y C 2.210 177.926 175.900 -0.306 0.000 1.119 524 Y CA 0.910 58.707 58.100 -0.504 0.000 1.127 524 Y CB -0.226 37.683 38.460 -0.918 0.000 1.019 524 Y HN -0.084 nan 8.280 nan 0.000 0.514 525 L N -1.774 119.389 121.223 -0.101 0.000 2.027 525 L HA -0.146 4.193 4.340 -0.000 0.000 0.206 525 L C 1.015 177.691 176.870 -0.323 0.000 1.074 525 L CA 1.427 56.147 54.840 -0.201 0.000 0.745 525 L CB -0.483 41.206 42.059 -0.617 0.000 0.898 525 L HN 0.157 nan 8.230 nan 0.000 0.433 526 F N -0.753 119.172 119.950 -0.041 0.000 2.684 526 F HA 0.141 4.668 4.527 -0.000 0.000 0.298 526 F C 1.657 177.136 175.800 -0.535 0.000 1.120 526 F CA -0.350 57.405 58.000 -0.407 0.000 1.332 526 F CB -0.472 38.294 39.000 -0.388 0.000 0.986 526 F HN -0.000 nan 8.300 nan 0.000 0.524 527 N N 1.375 119.993 118.700 -0.138 0.000 2.149 527 N HA -0.228 4.512 4.740 -0.000 0.000 0.188 527 N C 1.994 177.463 175.510 -0.068 0.000 1.019 527 N CA 1.836 54.826 53.050 -0.100 0.000 0.857 527 N CB -0.241 38.222 38.487 -0.040 0.000 0.997 527 N HN 0.535 nan 8.380 nan 0.000 0.426 528 W N -0.441 120.906 121.300 0.078 0.000 2.468 528 W HA 0.100 4.760 4.660 -0.000 0.000 0.262 528 W C 1.209 177.791 176.519 0.105 0.000 1.241 528 W CA 0.670 58.070 57.345 0.091 0.000 1.232 528 W CB -0.854 28.671 29.460 0.110 0.000 1.124 528 W HN 0.085 nan 8.180 nan 0.000 0.597 529 A N 1.331 123.766 122.820 -0.643 0.000 2.132 529 A HA 0.227 4.547 4.320 -0.000 0.000 0.213 529 A C 1.064 178.513 177.584 -0.225 0.000 1.154 529 A CA 0.947 52.616 52.037 -0.613 0.000 0.753 529 A CB -0.710 17.674 19.000 -1.026 0.000 0.826 529 A HN 0.093 nan 8.150 nan 0.000 0.469 530 V N -3.705 116.110 119.914 -0.166 0.000 2.966 530 V HA 0.509 4.629 4.120 -0.000 0.000 0.317 530 V C 0.917 176.983 176.094 -0.046 0.000 1.070 530 V CA -0.861 61.377 62.300 -0.103 0.000 1.008 530 V CB 1.257 33.012 31.823 -0.114 0.000 1.070 530 V HN 0.329 nan 8.190 nan 0.000 0.457 531 R N 0.501 120.978 120.500 -0.038 0.000 2.080 531 R HA 0.091 4.431 4.340 -0.000 0.000 0.222 531 R C 0.937 177.219 176.300 -0.030 0.000 1.107 531 R CA 1.176 57.263 56.100 -0.022 0.000 0.980 531 R CB -0.335 29.955 30.300 -0.017 0.000 0.879 531 R HN 0.813 nan 8.270 nan 0.000 0.439 532 T N 2.446 116.976 114.554 -0.041 0.000 4.098 532 T HA 0.141 4.491 4.350 -0.000 0.000 0.291 532 T C -0.350 174.318 174.700 -0.053 0.000 1.440 532 T CA -0.070 62.004 62.100 -0.044 0.000 1.164 532 T CB -0.081 68.760 68.868 -0.044 0.000 1.313 532 T HN 0.053 nan 8.240 nan 0.000 0.951 533 K N 2.701 123.071 120.400 -0.049 0.000 2.453 533 K HA 0.195 4.515 4.320 -0.000 0.000 0.280 533 K C 0.291 176.853 176.600 -0.062 0.000 1.045 533 K CA -0.283 55.972 56.287 -0.053 0.000 1.059 533 K CB 0.158 32.635 32.500 -0.037 0.000 0.901 533 K HN 0.391 nan 8.250 nan 0.000 0.475 534 L N 0.260 121.433 121.223 -0.083 0.000 2.387 534 L HA 0.494 4.833 4.340 -0.000 0.000 0.266 534 L C -0.098 176.708 176.870 -0.107 0.000 1.059 534 L CA -0.646 54.138 54.840 -0.092 0.000 0.801 534 L CB 0.614 42.609 42.059 -0.106 0.000 1.223 534 L HN 0.289 nan 8.230 nan 0.000 0.456 535 K N 1.392 121.734 120.400 -0.096 0.000 2.276 535 K HA 0.508 4.827 4.320 -0.000 0.000 0.285 535 K C -1.273 175.248 176.600 -0.131 0.000 1.062 535 K CA -0.313 55.923 56.287 -0.084 0.000 0.918 535 K CB 0.376 32.845 32.500 -0.050 0.000 1.055 535 K HN 0.659 nan 8.250 nan 0.000 0.477 536 L N 4.757 125.890 121.223 -0.150 0.000 2.264 536 L HA 0.281 4.621 4.340 -0.000 0.000 0.289 536 L C 0.506 177.353 176.870 -0.038 0.000 1.044 536 L CA -0.735 53.950 54.840 -0.258 0.000 0.807 536 L CB 1.312 43.136 42.059 -0.391 0.000 1.192 536 L HN 0.734 nan 8.230 nan 0.000 0.425 537 T N 0.632 115.205 114.554 0.031 0.000 2.943 537 T HA 0.546 4.896 4.350 -0.000 0.000 0.284 537 T C -2.551 172.272 174.700 0.205 0.000 1.015 537 T CA -2.293 59.870 62.100 0.105 0.000 1.042 537 T CB 1.398 70.306 68.868 0.066 0.000 1.055 537 T HN 0.189 nan 8.240 nan 0.000 0.500 538 P HA 0.180 nan 4.420 nan 0.000 0.264 538 P C -0.422 176.907 177.300 0.048 0.000 1.183 538 P CA -0.073 63.088 63.100 0.101 0.000 0.763 538 P CB 0.089 31.825 31.700 0.060 0.000 0.807 539 I N 6.216 126.755 120.570 -0.051 0.000 2.496 539 I HA 0.088 4.257 4.170 -0.000 0.000 0.285 539 I C -0.777 175.299 176.117 -0.068 0.000 1.080 539 I CA -1.567 59.657 61.300 -0.126 0.000 1.404 539 I CB 0.851 38.672 38.000 -0.299 0.000 1.403 539 I HN 0.384 nan 8.210 nan 0.000 0.539 540 P HA -0.202 nan 4.420 nan 0.000 0.214 540 P C 1.196 178.468 177.300 -0.047 0.000 1.163 540 P CA 1.307 64.386 63.100 -0.034 0.000 0.883 540 P CB 0.129 31.815 31.700 -0.023 0.000 0.788 541 A N -0.266 122.519 122.820 -0.059 0.000 2.216 541 A HA 0.091 4.411 4.320 -0.000 0.000 0.214 541 A C 2.307 179.847 177.584 -0.073 0.000 1.160 541 A CA 1.472 53.473 52.037 -0.059 0.000 0.725 541 A CB -1.181 17.785 19.000 -0.056 0.000 0.784 541 A HN 0.258 nan 8.150 nan 0.000 0.472 542 A N 0.400 123.171 122.820 -0.082 0.000 1.874 542 A HA -0.021 4.299 4.320 -0.000 0.000 0.214 542 A C 2.494 180.028 177.584 -0.082 0.000 1.189 542 A CA 1.835 53.819 52.037 -0.088 0.000 0.615 542 A CB -0.940 18.011 19.000 -0.081 0.000 0.830 542 A HN 0.902 nan 8.150 nan 0.000 0.443 543 S N -0.462 115.201 115.700 -0.062 0.000 2.382 543 S HA -0.156 4.314 4.470 -0.000 0.000 0.228 543 S C 1.371 175.937 174.600 -0.056 0.000 1.027 543 S CA 1.072 59.240 58.200 -0.054 0.000 0.991 543 S CB -0.434 62.744 63.200 -0.036 0.000 0.823 543 S HN 0.677 nan 8.310 nan 0.000 0.469 544 Q N 0.397 120.165 119.800 -0.053 0.000 2.527 544 Q HA 0.390 4.730 4.340 -0.000 0.000 0.189 544 Q C -0.419 175.546 176.000 -0.057 0.000 1.116 544 Q CA -0.572 55.203 55.803 -0.046 0.000 1.169 544 Q CB 0.156 28.870 28.738 -0.039 0.000 1.211 544 Q HN 0.435 nan 8.270 nan 0.000 0.649 545 L N 2.393 123.588 121.223 -0.046 0.000 3.381 545 L HA -0.209 4.131 4.340 -0.000 0.000 0.313 545 L C 0.234 177.062 176.870 -0.070 0.000 0.995 545 L CA 0.306 55.118 54.840 -0.046 0.000 1.132 545 L CB -0.519 41.521 42.059 -0.031 0.000 1.649 545 L HN 0.586 nan 8.230 nan 0.000 0.395 546 D N 1.298 121.642 120.400 -0.093 0.000 2.369 546 D HA 0.119 4.759 4.640 -0.000 0.000 0.211 546 D C 0.569 176.757 176.300 -0.185 0.000 1.077 546 D CA -0.263 53.646 54.000 -0.153 0.000 0.842 546 D CB 0.242 40.958 40.800 -0.140 0.000 0.947 546 D HN 0.394 nan 8.370 nan 0.000 0.509 547 L N 0.265 121.425 121.223 -0.105 0.000 2.878 547 L HA -0.010 4.330 4.340 -0.000 0.000 0.285 547 L C 0.576 177.391 176.870 -0.091 0.000 1.090 547 L CA -0.076 54.723 54.840 -0.068 0.000 1.030 547 L CB -0.629 41.421 42.059 -0.016 0.000 1.431 547 L HN -0.205 nan 8.230 nan 0.000 0.456 548 S N 1.698 117.331 115.700 -0.112 0.000 2.505 548 S HA 0.846 5.316 4.470 -0.000 0.000 0.273 548 S C 1.027 175.687 174.600 0.100 0.000 1.123 548 S CA -0.088 58.077 58.200 -0.059 0.000 1.006 548 S CB 1.377 64.463 63.200 -0.190 0.000 1.243 548 S HN 1.081 nan 8.310 nan 0.000 0.498 549 G N -0.803 108.089 108.800 0.154 0.000 2.237 549 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.153 549 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.153 549 G C -0.245 174.769 174.900 0.189 0.000 1.039 549 G CA -0.254 44.915 45.100 0.115 0.000 0.719 549 G HN 0.513 nan 8.290 nan 0.000 0.491 550 W N -0.613 120.624 121.300 -0.105 0.000 2.952 550 W HA 0.569 5.229 4.660 -0.000 0.000 0.251 550 W C 0.808 176.974 176.519 -0.588 0.000 1.144 550 W CA 0.183 57.312 57.345 -0.359 0.000 1.551 550 W CB 0.391 29.506 29.460 -0.575 0.000 0.978 550 W HN 0.169 nan 8.180 nan 0.000 0.648 551 F N 0.276 120.400 119.950 0.289 0.000 2.471 551 F HA 0.317 4.844 4.527 -0.000 0.000 0.318 551 F C 0.559 176.484 175.800 0.207 0.000 1.308 551 F CA -0.254 57.901 58.000 0.258 0.000 1.162 551 F CB 0.002 39.117 39.000 0.192 0.000 1.383 551 F HN -0.387 nan 8.300 nan 0.000 0.552 552 V N 0.021 120.111 119.914 0.293 0.000 2.911 552 V HA 0.600 4.720 4.120 -0.000 0.000 0.237 552 V C 0.846 177.053 176.094 0.188 0.000 1.156 552 V CA 0.588 63.011 62.300 0.204 0.000 1.180 552 V CB 0.451 32.377 31.823 0.171 0.000 0.932 552 V HN 0.404 nan 8.190 nan 0.000 0.483 553 A N -0.659 122.210 122.820 0.081 0.000 2.610 553 A HA 0.748 5.068 4.320 -0.000 0.000 0.291 553 A C -0.257 176.927 177.584 -0.667 0.000 1.086 553 A CA 0.094 52.043 52.037 -0.147 0.000 0.677 553 A CB 0.945 19.747 19.000 -0.331 0.000 1.278 553 A HN 0.417 nan 8.150 nan 0.000 0.414 554 G N -1.040 107.107 108.800 -1.088 0.000 2.372 554 G HA2 0.511 4.471 3.960 -0.000 0.000 0.283 554 G HA3 0.511 4.471 3.960 -0.000 0.000 0.283 554 G C -0.747 173.534 174.900 -1.032 0.000 1.177 554 G CA 0.034 44.133 45.100 -1.667 0.000 0.842 554 G HN 0.573 nan 8.290 nan 0.000 0.503 555 Y N 0.897 120.978 120.300 -0.366 0.000 2.738 555 Y HA 0.304 4.854 4.550 -0.000 0.000 0.249 555 Y C 1.442 177.260 175.900 -0.137 0.000 1.157 555 Y CA -0.869 57.119 58.100 -0.186 0.000 1.189 555 Y CB 0.509 38.890 38.460 -0.132 0.000 1.262 555 Y HN 0.454 nan 8.280 nan 0.000 0.554 556 S N 0.562 116.234 115.700 -0.048 0.000 2.546 556 S HA 0.329 4.799 4.470 -0.000 0.000 0.290 556 S C 1.325 175.944 174.600 0.030 0.000 1.262 556 S CA 1.401 59.603 58.200 0.004 0.000 1.083 556 S CB -0.101 63.105 63.200 0.011 0.000 0.859 556 S HN 0.948 nan 8.310 nan 0.000 0.495 557 G N 3.459 112.279 108.800 0.034 0.000 2.179 557 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.260 557 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.260 557 G C 0.780 175.708 174.900 0.046 0.000 0.977 557 G CA 0.328 45.453 45.100 0.042 0.000 0.641 557 G HN 1.122 nan 8.290 nan 0.000 0.533 558 G N -0.164 108.667 108.800 0.052 0.000 3.088 558 G HA2 0.392 4.352 3.960 -0.000 0.000 0.212 558 G HA3 0.392 4.352 3.960 -0.000 0.000 0.212 558 G C 0.460 175.368 174.900 0.014 0.000 1.173 558 G CA 1.117 46.259 45.100 0.071 0.000 0.779 558 G HN 1.106 nan 8.290 nan 0.000 0.540 559 D N -0.390 119.989 120.400 -0.035 0.000 2.697 559 D HA -0.160 4.480 4.640 -0.000 0.000 0.238 559 D C -0.087 176.132 176.300 -0.134 0.000 1.152 559 D CA 0.400 54.352 54.000 -0.080 0.000 0.666 559 D CB -1.060 39.707 40.800 -0.055 0.000 1.037 559 D HN 0.105 nan 8.370 nan 0.000 0.423 560 I N 1.250 121.698 120.570 -0.204 0.000 2.441 560 I HA 0.403 4.573 4.170 -0.000 0.000 0.295 560 I C -0.134 175.715 176.117 -0.446 0.000 0.994 560 I CA -0.749 60.315 61.300 -0.395 0.000 1.144 560 I CB 1.395 39.013 38.000 -0.636 0.000 1.314 560 I HN 0.098 nan 8.210 nan 0.000 0.445 561 Y N 5.684 125.591 120.300 -0.655 0.000 2.406 561 Y HA 0.489 5.039 4.550 -0.000 0.000 0.340 561 Y C -0.936 174.556 175.900 -0.681 0.000 0.975 561 Y CA -0.578 57.165 58.100 -0.595 0.000 1.056 561 Y CB 1.218 39.459 38.460 -0.364 0.000 1.210 561 Y HN 0.466 nan 8.280 nan 0.000 0.448 562 H N 3.481 121.879 119.070 -1.121 0.000 2.505 562 H HA 0.399 4.955 4.556 -0.000 0.000 0.338 562 H C -0.183 174.634 175.328 -0.851 0.000 1.057 562 H CA -0.555 54.994 56.048 -0.832 0.000 1.202 562 H CB 1.839 31.116 29.762 -0.810 0.000 1.466 562 H HN 0.763 nan 8.280 nan 0.000 0.499 563 S N 0.000 115.524 115.700 -0.293 0.000 2.498 563 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 563 S CA 0.000 58.120 58.200 -0.134 0.000 1.107 563 S CB 0.000 63.224 63.200 0.041 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517