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 3phe_1_C DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQXX DATA SEQUENCE XXXRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP 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 0.000 174.583 174.600 -0.029 0.000 1.055 1 S CA 0.000 58.184 58.200 -0.026 0.000 1.107 1 S CB 0.000 63.192 63.200 -0.013 0.000 0.593 2 M N 2.969 122.542 119.600 -0.044 0.000 2.185 2 M HA 0.378 4.858 4.480 0.000 0.000 0.357 2 M C 1.218 177.436 176.300 -0.138 0.000 1.260 2 M CA 0.097 55.363 55.300 -0.056 0.000 1.124 2 M CB 1.281 33.861 32.600 -0.033 0.000 1.600 2 M HN 0.309 nan 8.290 nan 0.000 0.467 3 S N 3.892 119.470 115.700 -0.202 0.000 2.368 3 S HA -0.015 4.455 4.470 0.000 0.000 0.224 3 S C 0.053 174.352 174.600 -0.502 0.000 1.029 3 S CA 0.754 58.748 58.200 -0.343 0.000 0.988 3 S CB -0.233 62.712 63.200 -0.425 0.000 0.838 3 S HN 0.662 nan 8.310 nan 0.000 0.462 4 Y N 0.958 121.106 120.300 -0.254 0.000 2.553 4 Y HA 0.570 5.120 4.550 0.000 0.000 0.347 4 Y C -0.176 175.453 175.900 -0.451 0.000 1.019 4 Y CA -0.765 57.066 58.100 -0.448 0.000 1.032 4 Y CB 2.275 40.355 38.460 -0.633 0.000 1.284 4 Y HN 0.177 nan 8.280 nan 0.000 0.466 5 T N -2.034 112.266 114.554 -0.423 0.000 2.886 5 T HA 0.633 4.983 4.350 0.000 0.000 0.292 5 T C -1.422 173.033 174.700 -0.408 0.000 1.012 5 T CA -0.806 61.122 62.100 -0.287 0.000 0.982 5 T CB 0.850 69.657 68.868 -0.100 0.000 1.018 5 T HN 0.515 nan 8.240 nan 0.000 0.451 6 W N 1.375 122.732 121.300 0.094 0.000 2.689 6 W HA 0.494 5.154 4.660 0.000 0.000 0.340 6 W C 1.562 178.113 176.519 0.054 0.000 1.060 6 W CA -0.710 56.679 57.345 0.073 0.000 1.218 6 W CB 1.877 31.365 29.460 0.047 0.000 1.410 6 W HN 0.887 nan 8.180 nan 0.000 0.528 7 T N -2.133 112.587 114.554 0.277 0.000 3.043 7 T HA 0.279 4.629 4.350 0.000 0.000 0.263 7 T C 1.462 176.250 174.700 0.147 0.000 1.094 7 T CA 1.058 63.257 62.100 0.166 0.000 1.127 7 T CB -0.113 68.830 68.868 0.126 0.000 0.905 7 T HN 1.195 nan 8.240 nan 0.000 0.490 8 G N 1.195 110.098 108.800 0.171 0.000 2.278 8 G HA2 0.049 4.009 3.960 0.000 0.000 0.210 8 G HA3 0.049 4.009 3.960 0.000 0.000 0.210 8 G C 0.399 175.337 174.900 0.064 0.000 1.000 8 G CA -0.147 45.010 45.100 0.095 0.000 0.635 8 G HN 1.101 nan 8.290 nan 0.000 0.495 9 A N 1.034 123.905 122.820 0.084 0.000 2.520 9 A HA 0.579 4.899 4.320 0.000 0.000 0.235 9 A C 0.836 178.446 177.584 0.043 0.000 1.065 9 A CA 0.355 52.429 52.037 0.061 0.000 0.764 9 A CB 0.118 19.161 19.000 0.072 0.000 1.002 9 A HN 0.920 nan 8.150 nan 0.000 0.502 10 L N 1.768 123.001 121.223 0.017 0.000 2.436 10 L HA 0.238 4.578 4.340 0.000 0.000 0.265 10 L C 0.153 177.025 176.870 0.002 0.000 1.168 10 L CA -0.218 54.616 54.840 -0.009 0.000 0.815 10 L CB 0.639 42.691 42.059 -0.011 0.000 1.109 10 L HN 0.559 nan 8.230 nan 0.000 0.462 11 I N 2.024 122.579 120.570 -0.024 0.000 2.347 11 I HA 0.062 4.232 4.170 0.000 0.000 0.294 11 I C 0.434 176.555 176.117 0.006 0.000 1.090 11 I CA -0.045 61.254 61.300 -0.003 0.000 1.314 11 I CB 0.519 38.499 38.000 -0.033 0.000 1.423 11 I HN 0.636 nan 8.210 nan 0.000 0.503 12 T N 5.057 119.624 114.554 0.021 0.000 2.867 12 T HA 0.519 4.869 4.350 0.000 0.000 0.282 12 T C -2.350 172.369 174.700 0.032 0.000 1.000 12 T CA -2.094 60.019 62.100 0.022 0.000 1.042 12 T CB 1.596 70.475 68.868 0.020 0.000 0.973 12 T HN 0.236 nan 8.240 nan 0.000 0.465 13 P HA 0.181 nan 4.420 nan 0.000 0.272 13 P C 0.461 177.785 177.300 0.039 0.000 1.230 13 P CA -0.613 62.511 63.100 0.039 0.000 0.788 13 P CB 0.860 32.582 31.700 0.036 0.000 0.949 14 C N 1.290 120.617 119.300 0.045 0.000 2.538 14 C HA 0.457 4.917 4.460 0.000 0.000 0.281 14 C C 1.211 176.220 174.990 0.032 0.000 1.320 14 C CA 1.275 60.318 59.018 0.041 0.000 1.714 14 C CB -0.871 26.899 27.740 0.050 0.000 2.095 14 C HN 0.731 nan 8.230 nan 0.000 0.497 15 A N -0.362 122.478 122.820 0.034 0.000 2.507 15 A HA 0.781 5.101 4.320 0.000 0.000 0.284 15 A C -0.380 177.228 177.584 0.039 0.000 1.281 15 A CA 0.220 52.277 52.037 0.032 0.000 0.744 15 A CB -0.161 18.857 19.000 0.029 0.000 1.332 15 A HN 0.971 nan 8.150 nan 0.000 0.454 16 A N -0.165 122.680 122.820 0.041 0.000 2.531 16 A HA 0.462 4.782 4.320 0.000 0.000 0.236 16 A C -0.094 177.530 177.584 0.066 0.000 1.062 16 A CA 0.470 52.537 52.037 0.050 0.000 0.760 16 A CB -0.339 18.690 19.000 0.048 0.000 0.995 16 A HN 0.576 nan 8.150 nan 0.000 0.501 17 E N 1.647 121.892 120.200 0.074 0.000 2.185 17 E HA 0.246 4.596 4.350 0.000 0.000 0.261 17 E C -0.957 175.720 176.600 0.129 0.000 0.879 17 E CA -0.659 55.798 56.400 0.094 0.000 0.756 17 E CB 1.313 31.059 29.700 0.076 0.000 1.152 17 E HN 0.629 nan 8.360 nan 0.000 0.416 18 E N 1.391 121.704 120.200 0.189 0.000 2.259 18 E HA 0.092 4.442 4.350 0.000 0.000 0.281 18 E C 0.443 177.255 176.600 0.353 0.000 1.027 18 E CA -0.036 56.526 56.400 0.269 0.000 0.838 18 E CB 1.598 31.504 29.700 0.343 0.000 1.066 18 E HN 0.564 nan 8.360 nan 0.000 0.401 19 S N 1.583 117.480 115.700 0.328 0.000 2.549 19 S HA 0.028 4.498 4.470 0.000 0.000 0.225 19 S C 0.572 175.444 174.600 0.453 0.000 1.039 19 S CA -0.293 58.105 58.200 0.331 0.000 0.942 19 S CB 0.341 63.669 63.200 0.213 0.000 0.881 19 S HN 0.329 nan 8.310 nan 0.000 0.503 20 K N 1.573 122.211 120.400 0.397 0.000 2.203 20 K HA 0.579 4.899 4.320 0.000 0.000 0.251 20 K C -1.081 175.600 176.600 0.135 0.000 0.944 20 K CA -1.187 55.277 56.287 0.295 0.000 0.829 20 K CB 1.271 33.871 32.500 0.167 0.000 1.125 20 K HN 0.171 nan 8.250 nan 0.000 0.430 21 L N 3.988 125.293 121.223 0.136 0.000 2.281 21 L HA 0.364 4.704 4.340 0.000 0.000 0.285 21 L C -2.217 174.602 176.870 -0.084 0.000 1.074 21 L CA -1.394 53.384 54.840 -0.103 0.000 0.817 21 L CB 0.441 42.574 42.059 0.123 0.000 1.168 21 L HN 0.601 nan 8.230 nan 0.000 0.434 22 P HA 0.139 nan 4.420 nan 0.000 0.275 22 P C -0.769 176.431 177.300 -0.165 0.000 1.228 22 P CA -0.352 62.655 63.100 -0.154 0.000 0.786 22 P CB 0.926 32.517 31.700 -0.181 0.000 0.927 23 I N 3.894 124.357 120.570 -0.178 0.000 2.291 23 I HA 0.143 4.313 4.170 0.000 0.000 0.292 23 I C 0.738 176.765 176.117 -0.150 0.000 1.064 23 I CA 0.029 61.190 61.300 -0.232 0.000 1.269 23 I CB -0.259 37.553 38.000 -0.313 0.000 1.418 23 I HN 0.525 nan 8.210 nan 0.000 0.485 24 N N 5.296 123.919 118.700 -0.129 0.000 2.629 24 N HA 0.453 5.193 4.740 0.000 0.000 0.279 24 N C 0.400 175.864 175.510 -0.078 0.000 1.344 24 N CA -0.495 52.499 53.050 -0.093 0.000 0.789 24 N CB 1.097 39.532 38.487 -0.086 0.000 1.508 24 N HN 0.309 nan 8.380 nan 0.000 0.516 25 A N 0.575 123.358 122.820 -0.062 0.000 1.851 25 A HA -0.079 4.241 4.320 0.000 0.000 0.216 25 A C 2.091 179.650 177.584 -0.042 0.000 1.195 25 A CA 1.604 53.610 52.037 -0.053 0.000 0.622 25 A CB -1.179 17.791 19.000 -0.049 0.000 0.831 25 A HN 0.617 nan 8.150 nan 0.000 0.444 26 L N -0.793 120.407 121.223 -0.039 0.000 2.046 26 L HA -0.150 4.190 4.340 0.000 0.000 0.208 26 L C 2.922 179.828 176.870 0.060 0.000 1.077 26 L CA 1.555 56.389 54.840 -0.010 0.000 0.747 26 L CB -0.566 41.459 42.059 -0.057 0.000 0.896 26 L HN 0.524 nan 8.230 nan 0.000 0.432 27 S N 0.217 115.925 115.700 0.013 0.000 2.382 27 S HA -0.216 4.254 4.470 0.000 0.000 0.228 27 S C 1.724 176.328 174.600 0.007 0.000 1.027 27 S CA 1.921 60.128 58.200 0.012 0.000 0.991 27 S CB -0.246 62.933 63.200 -0.035 0.000 0.823 27 S HN 0.434 nan 8.310 nan 0.000 0.469 28 N N 0.445 119.134 118.700 -0.018 0.000 2.331 28 N HA -0.031 4.709 4.740 0.000 0.000 0.180 28 N C 1.856 177.362 175.510 -0.007 0.000 1.019 28 N CA 1.253 54.292 53.050 -0.019 0.000 0.881 28 N CB -0.143 38.313 38.487 -0.051 0.000 0.972 28 N HN 0.534 nan 8.380 nan 0.000 0.435 29 S N -0.479 115.221 115.700 0.000 0.000 2.423 29 S HA -0.095 4.375 4.470 0.000 0.000 0.231 29 S C 1.773 176.384 174.600 0.018 0.000 1.014 29 S CA 0.544 58.734 58.200 -0.016 0.000 0.965 29 S CB -0.292 62.900 63.200 -0.012 0.000 0.785 29 S HN 0.300 nan 8.310 nan 0.000 0.495 30 L N 0.372 121.645 121.223 0.083 0.000 2.102 30 L HA 0.539 4.879 4.340 0.000 0.000 0.202 30 L C 0.412 177.347 176.870 0.108 0.000 1.076 30 L CA 1.151 56.067 54.840 0.127 0.000 0.761 30 L CB -0.089 41.864 42.059 -0.176 0.000 0.921 30 L HN 0.548 nan 8.230 nan 0.000 0.444 31 L N -0.885 120.365 121.223 0.044 0.000 2.470 31 L HA 0.367 4.707 4.340 0.000 0.000 0.268 31 L C 0.613 177.501 176.870 0.029 0.000 0.964 31 L CA -0.516 54.345 54.840 0.034 0.000 0.839 31 L CB 1.499 43.589 42.059 0.052 0.000 1.276 31 L HN 0.014 nan 8.230 nan 0.000 0.403 32 R N 1.451 121.926 120.500 -0.042 0.000 2.066 32 R HA 0.085 4.425 4.340 0.000 0.000 0.224 32 R C 0.080 176.492 176.300 0.187 0.000 1.122 32 R CA 0.662 56.765 56.100 0.004 0.000 0.974 32 R CB -0.034 30.188 30.300 -0.130 0.000 0.871 32 R HN 0.650 nan 8.270 nan 0.000 0.435 33 H N 1.222 120.363 119.070 0.118 0.000 2.998 33 H HA 0.015 4.571 4.556 0.000 0.000 0.241 33 H C 0.671 176.026 175.328 0.045 0.000 1.852 33 H CA -0.371 55.708 56.048 0.050 0.000 1.419 33 H CB -0.129 29.648 29.762 0.025 0.000 1.793 33 H HN 0.488 nan 8.280 nan 0.000 0.553 34 H N -0.741 118.426 119.070 0.162 0.000 2.521 34 H HA -0.044 4.512 4.556 0.000 0.000 0.286 34 H C 1.332 176.747 175.328 0.144 0.000 1.034 34 H CA 0.425 56.550 56.048 0.128 0.000 1.278 34 H CB 0.141 29.952 29.762 0.081 0.000 1.386 34 H HN 0.385 nan 8.280 nan 0.000 0.567 35 N N 0.531 119.089 118.700 -0.237 0.000 2.494 35 N HA -0.020 4.720 4.740 0.000 0.000 0.182 35 N C 1.085 176.623 175.510 0.047 0.000 1.076 35 N CA 0.760 53.747 53.050 -0.106 0.000 0.908 35 N CB 0.078 38.447 38.487 -0.197 0.000 0.967 35 N HN 0.546 nan 8.380 nan 0.000 0.449 36 M N 0.035 119.693 119.600 0.097 0.000 2.556 36 M HA 0.093 4.573 4.480 0.000 0.000 0.245 36 M C -0.007 176.442 176.300 0.249 0.000 1.128 36 M CA 0.300 55.693 55.300 0.154 0.000 1.069 36 M CB 0.719 33.404 32.600 0.141 0.000 1.469 36 M HN -0.266 nan 8.290 nan 0.000 0.494 37 V N 1.512 121.581 119.914 0.258 0.000 2.394 37 V HA 0.300 4.420 4.120 0.000 0.000 0.282 37 V C -0.786 175.538 176.094 0.383 0.000 1.031 37 V CA -0.730 61.738 62.300 0.280 0.000 0.881 37 V CB 0.481 32.472 31.823 0.280 0.000 0.982 37 V HN 0.294 nan 8.190 nan 0.000 0.451 38 Y N 2.882 123.286 120.300 0.174 0.000 2.581 38 Y HA 0.936 5.486 4.550 0.000 0.000 0.345 38 Y C -0.282 175.581 175.900 -0.061 0.000 1.036 38 Y CA -1.558 56.630 58.100 0.148 0.000 1.042 38 Y CB 1.629 40.161 38.460 0.120 0.000 1.289 38 Y HN 0.658 nan 8.280 nan 0.000 0.471 39 A N 1.294 124.072 122.820 -0.070 0.000 2.340 39 A HA 0.667 4.987 4.320 0.000 0.000 0.331 39 A C -0.179 177.421 177.584 0.027 0.000 1.140 39 A CA -0.418 51.403 52.037 -0.359 0.000 0.801 39 A CB 0.420 19.056 19.000 -0.607 0.000 1.234 39 A HN 1.032 nan 8.150 nan 0.000 0.469 40 T N 0.214 114.764 114.554 -0.007 0.000 2.884 40 T HA 0.551 4.901 4.350 0.000 0.000 0.298 40 T C 0.369 175.109 174.700 0.067 0.000 0.998 40 T CA 0.289 62.468 62.100 0.133 0.000 1.124 40 T CB 0.541 69.508 68.868 0.165 0.000 0.931 40 T HN 1.153 nan 8.240 nan 0.000 0.531 41 T N -1.056 113.549 114.554 0.086 0.000 2.910 41 T HA 0.482 4.832 4.350 0.000 0.000 0.287 41 T C 1.515 176.244 174.700 0.048 0.000 1.050 41 T CA -0.291 61.847 62.100 0.062 0.000 1.011 41 T CB 1.252 70.162 68.868 0.070 0.000 1.195 41 T HN 0.686 nan 8.240 nan 0.000 0.540 42 S N -0.101 115.622 115.700 0.038 0.000 2.469 42 S HA -0.128 4.342 4.470 0.000 0.000 0.238 42 S C 1.733 176.338 174.600 0.007 0.000 0.998 42 S CA 0.333 58.546 58.200 0.022 0.000 0.957 42 S CB -0.680 62.533 63.200 0.022 0.000 0.764 42 S HN 0.700 nan 8.310 nan 0.000 0.514 43 R N 1.485 121.995 120.500 0.017 0.000 2.189 43 R HA -0.001 4.339 4.340 0.000 0.000 0.223 43 R C 2.088 178.384 176.300 -0.006 0.000 1.092 43 R CA 1.338 57.442 56.100 0.006 0.000 0.989 43 R CB -0.403 29.908 30.300 0.018 0.000 0.876 43 R HN 0.729 nan 8.270 nan 0.000 0.457 44 S N -0.694 115.007 115.700 0.003 0.000 2.556 44 S HA 0.216 4.686 4.470 0.000 0.000 0.216 44 S C 1.836 176.416 174.600 -0.033 0.000 0.970 44 S CA 0.185 58.380 58.200 -0.008 0.000 0.912 44 S CB 0.779 63.990 63.200 0.019 0.000 0.790 44 S HN 0.255 nan 8.310 nan 0.000 0.504 45 A N 2.200 124.993 122.820 -0.045 0.000 1.917 45 A HA 0.078 4.398 4.320 0.000 0.000 0.219 45 A C 2.291 179.780 177.584 -0.158 0.000 1.182 45 A CA 1.765 53.750 52.037 -0.087 0.000 0.633 45 A CB -1.733 17.213 19.000 -0.089 0.000 0.819 45 A HN 0.669 nan 8.150 nan 0.000 0.448 46 G N -0.236 108.471 108.800 -0.155 0.000 2.422 46 G HA2 -0.157 3.803 3.960 0.000 0.000 0.218 46 G HA3 -0.157 3.803 3.960 0.000 0.000 0.218 46 G C 1.482 176.282 174.900 -0.166 0.000 1.146 46 G CA 1.034 46.014 45.100 -0.201 0.000 0.769 46 G HN 0.474 nan 8.290 nan 0.000 0.547 47 L N -0.222 120.940 121.223 -0.101 0.000 2.217 47 L HA 0.052 4.392 4.340 0.000 0.000 0.211 47 L C 2.825 179.661 176.870 -0.057 0.000 1.107 47 L CA 0.941 55.742 54.840 -0.066 0.000 0.783 47 L CB -0.371 41.663 42.059 -0.041 0.000 0.919 47 L HN 0.153 nan 8.230 nan 0.000 0.442 48 R N 0.900 121.358 120.500 -0.070 0.000 2.073 48 R HA -0.133 4.207 4.340 0.000 0.000 0.229 48 R C 2.213 178.464 176.300 -0.082 0.000 1.120 48 R CA 1.492 57.563 56.100 -0.049 0.000 0.967 48 R CB -0.376 29.901 30.300 -0.039 0.000 0.862 48 R HN 0.356 nan 8.270 nan 0.000 0.436 49 Q N 0.102 119.775 119.800 -0.212 0.000 2.135 49 Q HA -0.167 4.173 4.340 0.000 0.000 0.204 49 Q C 1.905 177.850 176.000 -0.092 0.000 0.981 49 Q CA 2.055 57.666 55.803 -0.320 0.000 0.856 49 Q CB -0.085 28.143 28.738 -0.850 0.000 0.902 49 Q HN 0.350 nan 8.270 nan 0.000 0.425 50 K N 0.718 121.073 120.400 -0.074 0.000 2.057 50 K HA -0.120 4.200 4.320 0.000 0.000 0.207 50 K C 1.971 178.638 176.600 0.113 0.000 1.049 50 K CA 1.080 57.382 56.287 0.026 0.000 0.931 50 K CB -0.007 32.492 32.500 -0.001 0.000 0.714 50 K HN 0.089 nan 8.250 nan 0.000 0.440 51 K N 0.717 121.174 120.400 0.096 0.000 2.097 51 K HA -0.081 4.239 4.320 0.000 0.000 0.205 51 K C 1.982 178.764 176.600 0.303 0.000 1.050 51 K CA 1.509 57.892 56.287 0.160 0.000 0.938 51 K CB 0.003 32.565 32.500 0.105 0.000 0.718 51 K HN 0.134 nan 8.250 nan 0.000 0.442 52 V N -1.522 118.525 119.914 0.222 0.000 3.649 52 V HA 0.077 4.197 4.120 0.000 0.000 0.275 52 V C 0.330 176.495 176.094 0.118 0.000 1.281 52 V CA 0.135 62.564 62.300 0.216 0.000 1.143 52 V CB 0.020 31.889 31.823 0.077 0.000 0.892 52 V HN -0.053 nan 8.190 nan 0.000 0.441 53 T N 4.216 118.910 114.554 0.233 0.000 2.770 53 T HA 0.748 5.098 4.350 0.000 0.000 0.297 53 T C -0.806 174.051 174.700 0.261 0.000 0.997 53 T CA -0.066 62.164 62.100 0.216 0.000 0.949 53 T CB 0.468 69.575 68.868 0.399 0.000 0.941 53 T HN 0.620 nan 8.240 nan 0.000 0.457 54 F N -0.041 120.012 119.950 0.172 0.000 2.807 54 F HA 0.636 5.163 4.527 0.000 0.000 0.316 54 F C -1.190 174.656 175.800 0.077 0.000 1.162 54 F CA -1.689 56.375 58.000 0.107 0.000 0.910 54 F CB 0.653 39.705 39.000 0.087 0.000 1.314 54 F HN 0.261 nan 8.300 nan 0.000 0.454 55 D N 0.508 121.103 120.400 0.325 0.000 2.255 55 D HA 0.525 5.165 4.640 0.000 0.000 0.249 55 D C -0.931 175.523 176.300 0.256 0.000 1.078 55 D CA -0.077 54.036 54.000 0.189 0.000 0.896 55 D CB 0.922 41.795 40.800 0.121 0.000 1.194 55 D HN 0.579 nan 8.370 nan 0.000 0.429 56 R N 2.442 123.030 120.500 0.147 0.000 2.387 56 R HA 0.451 4.791 4.340 0.000 0.000 0.314 56 R C -0.897 175.443 176.300 0.066 0.000 0.958 56 R CA -0.740 55.441 56.100 0.137 0.000 0.846 56 R CB 1.210 31.564 30.300 0.090 0.000 1.147 56 R HN 0.391 nan 8.270 nan 0.000 0.447 57 L N 2.861 124.116 121.223 0.054 0.000 2.317 57 L HA 0.509 4.849 4.340 0.000 0.000 0.281 57 L C -0.990 175.886 176.870 0.009 0.000 1.024 57 L CA -0.292 54.560 54.840 0.021 0.000 0.810 57 L CB 1.638 43.704 42.059 0.012 0.000 1.240 57 L HN 0.722 nan 8.230 nan 0.000 0.427 58 Q N 3.490 123.285 119.800 -0.007 0.000 2.285 58 Q HA 0.602 4.942 4.340 0.000 0.000 0.269 58 Q C -2.059 173.921 176.000 -0.033 0.000 1.030 58 Q CA -0.556 55.236 55.803 -0.018 0.000 0.788 58 Q CB 2.533 31.252 28.738 -0.032 0.000 1.266 58 Q HN 0.512 nan 8.270 nan 0.000 0.438 59 V N 5.046 124.945 119.914 -0.025 0.000 2.577 59 V HA 0.499 4.619 4.120 0.000 0.000 0.303 59 V C -0.577 175.518 176.094 0.001 0.000 1.042 59 V CA -0.699 61.584 62.300 -0.029 0.000 0.872 59 V CB 1.668 33.474 31.823 -0.028 0.000 0.998 59 V HN 0.732 nan 8.190 nan 0.000 0.423 60 L N 4.421 125.602 121.223 -0.070 0.000 2.325 60 L HA 0.737 5.077 4.340 0.000 0.000 0.278 60 L C -0.276 176.614 176.870 0.033 0.000 1.023 60 L CA -0.531 54.236 54.840 -0.121 0.000 0.811 60 L CB 1.833 43.638 42.059 -0.424 0.000 1.249 60 L HN 0.823 nan 8.230 nan 0.000 0.431 61 D N -1.167 119.326 120.400 0.156 0.000 2.712 61 D HA 0.212 4.852 4.640 0.000 0.000 0.252 61 D C 0.139 176.506 176.300 0.112 0.000 1.123 61 D CA -0.587 53.481 54.000 0.113 0.000 1.109 61 D CB 0.634 41.499 40.800 0.109 0.000 1.313 61 D HN 0.272 nan 8.370 nan 0.000 0.629 62 D N -1.546 118.857 120.400 0.005 0.000 2.149 62 D HA -0.120 4.520 4.640 0.000 0.000 0.201 62 D C 1.724 178.040 176.300 0.026 0.000 0.972 62 D CA 1.044 55.030 54.000 -0.024 0.000 0.835 62 D CB -0.180 40.550 40.800 -0.117 0.000 0.966 62 D HN 0.372 nan 8.370 nan 0.000 0.476 63 H N -0.193 118.939 119.070 0.104 0.000 2.319 63 H HA -0.173 4.383 4.556 0.000 0.000 0.299 63 H C 2.025 177.389 175.328 0.060 0.000 1.092 63 H CA 1.085 57.185 56.048 0.088 0.000 1.302 63 H CB -0.847 28.993 29.762 0.130 0.000 1.373 63 H HN 0.309 nan 8.280 nan 0.000 0.497 64 Y N 1.786 122.125 120.300 0.065 0.000 2.128 64 Y HA -0.235 4.315 4.550 0.000 0.000 0.284 64 Y C 2.672 178.519 175.900 -0.089 0.000 1.154 64 Y CA 1.677 59.684 58.100 -0.155 0.000 1.149 64 Y CB -0.083 38.173 38.460 -0.341 0.000 0.976 64 Y HN -0.025 nan 8.280 nan 0.000 0.505 65 R N -0.048 120.507 120.500 0.092 0.000 2.115 65 R HA -0.126 4.214 4.340 0.000 0.000 0.230 65 R C 1.676 177.945 176.300 -0.050 0.000 1.111 65 R CA 1.319 57.423 56.100 0.007 0.000 0.976 65 R CB -0.202 30.142 30.300 0.073 0.000 0.870 65 R HN 0.425 nan 8.270 nan 0.000 0.445 66 D N 0.013 120.406 120.400 -0.011 0.000 2.097 66 D HA -0.105 4.535 4.640 0.000 0.000 0.197 66 D C 1.963 178.239 176.300 -0.039 0.000 0.984 66 D CA 0.991 54.989 54.000 -0.004 0.000 0.826 66 D CB -0.180 40.649 40.800 0.049 0.000 0.973 66 D HN -0.020 nan 8.370 nan 0.000 0.460 67 V N 1.360 121.229 119.914 -0.076 0.000 2.343 67 V HA -0.209 3.911 4.120 0.000 0.000 0.247 67 V C 2.491 178.508 176.094 -0.128 0.000 1.051 67 V CA 0.999 63.239 62.300 -0.101 0.000 1.036 67 V CB -0.480 31.248 31.823 -0.158 0.000 0.654 67 V HN 0.128 nan 8.190 nan 0.000 0.451 68 L N 0.642 121.719 121.223 -0.243 0.000 2.042 68 L HA -0.212 4.128 4.340 0.000 0.000 0.210 68 L C 2.420 179.221 176.870 -0.114 0.000 1.076 68 L CA 2.273 56.974 54.840 -0.232 0.000 0.749 68 L CB -0.832 41.031 42.059 -0.328 0.000 0.893 68 L HN 0.287 nan 8.230 nan 0.000 0.432 69 K N -0.541 119.810 120.400 -0.083 0.000 2.097 69 K HA -0.197 4.123 4.320 0.000 0.000 0.206 69 K C 1.915 178.499 176.600 -0.027 0.000 1.049 69 K CA 1.739 58.000 56.287 -0.044 0.000 0.933 69 K CB -0.110 32.373 32.500 -0.027 0.000 0.717 69 K HN 0.531 nan 8.250 nan 0.000 0.442 70 E N 0.224 120.412 120.200 -0.020 0.000 2.110 70 E HA -0.178 4.172 4.350 0.000 0.000 0.193 70 E C 2.089 178.691 176.600 0.003 0.000 0.988 70 E CA 1.452 57.853 56.400 0.001 0.000 0.804 70 E CB -0.056 29.655 29.700 0.019 0.000 0.745 70 E HN 0.367 nan 8.360 nan 0.000 0.458 71 M N 0.498 120.097 119.600 -0.002 0.000 2.132 71 M HA -0.128 4.352 4.480 0.000 0.000 0.263 71 M C 2.127 178.408 176.300 -0.031 0.000 1.065 71 M CA 1.284 56.578 55.300 -0.009 0.000 1.122 71 M CB -0.092 32.505 32.600 -0.005 0.000 1.365 71 M HN -0.069 nan 8.290 nan 0.000 0.411 72 K N 0.342 120.719 120.400 -0.037 0.000 2.147 72 K HA -0.083 4.237 4.320 0.000 0.000 0.205 72 K C 2.070 178.658 176.600 -0.020 0.000 1.049 72 K CA 1.316 57.583 56.287 -0.033 0.000 0.936 72 K CB -0.181 32.299 32.500 -0.034 0.000 0.722 72 K HN 0.294 nan 8.250 nan 0.000 0.446 73 A N 1.691 124.501 122.820 -0.016 0.000 1.873 73 A HA -0.181 4.139 4.320 0.000 0.000 0.215 73 A C 1.952 179.530 177.584 -0.011 0.000 1.186 73 A CA 1.515 53.546 52.037 -0.010 0.000 0.616 73 A CB -0.240 18.757 19.000 -0.005 0.000 0.823 73 A HN 0.133 nan 8.150 nan 0.000 0.442 74 K N -0.186 120.205 120.400 -0.015 0.000 2.097 74 K HA 0.034 4.354 4.320 0.000 0.000 0.205 74 K C 2.184 178.768 176.600 -0.027 0.000 1.050 74 K CA 1.093 57.367 56.287 -0.022 0.000 0.938 74 K CB -0.330 32.151 32.500 -0.031 0.000 0.718 74 K HN 0.425 nan 8.250 nan 0.000 0.442 75 A N 0.555 123.358 122.820 -0.027 0.000 1.978 75 A HA -0.180 4.140 4.320 0.000 0.000 0.220 75 A C 2.071 179.651 177.584 -0.006 0.000 1.170 75 A CA 1.961 53.987 52.037 -0.018 0.000 0.636 75 A CB -0.586 18.407 19.000 -0.011 0.000 0.810 75 A HN 0.202 nan 8.150 nan 0.000 0.448 76 S N -0.509 115.187 115.700 -0.006 0.000 2.474 76 S HA -0.091 4.379 4.470 0.000 0.000 0.235 76 S C 1.876 176.475 174.600 -0.001 0.000 0.997 76 S CA 1.561 59.761 58.200 -0.000 0.000 0.949 76 S CB -0.435 62.765 63.200 -0.001 0.000 0.766 76 S HN 0.906 nan 8.310 nan 0.000 0.517 77 T N -1.033 113.517 114.554 -0.007 0.000 3.107 77 T HA 0.241 4.591 4.350 0.000 0.000 0.249 77 T C 0.371 175.065 174.700 -0.009 0.000 1.096 77 T CA -0.152 61.943 62.100 -0.007 0.000 1.012 77 T CB -0.159 68.702 68.868 -0.010 0.000 0.977 77 T HN -0.009 nan 8.240 nan 0.000 0.527 78 V N 2.005 121.913 119.914 -0.009 0.000 2.465 78 V HA 0.424 4.544 4.120 0.000 0.000 0.279 78 V C 0.051 176.143 176.094 -0.002 0.000 1.045 78 V CA -0.955 61.338 62.300 -0.012 0.000 0.938 78 V CB 1.480 33.292 31.823 -0.019 0.000 0.986 78 V HN 0.357 nan 8.190 nan 0.000 0.467 79 K N 3.835 124.233 120.400 -0.002 0.000 2.307 79 K HA 0.765 5.085 4.320 0.000 0.000 0.263 79 K C -0.688 175.914 176.600 0.004 0.000 0.973 79 K CA -0.422 55.868 56.287 0.005 0.000 0.846 79 K CB 1.553 34.057 32.500 0.006 0.000 1.100 79 K HN 0.808 nan 8.250 nan 0.000 0.438 80 A N 4.117 126.943 122.820 0.010 0.000 2.350 80 A HA 0.584 4.904 4.320 0.000 0.000 0.324 80 A C -1.118 176.481 177.584 0.024 0.000 1.118 80 A CA -0.904 51.139 52.037 0.010 0.000 0.783 80 A CB 1.054 20.054 19.000 0.001 0.000 1.236 80 A HN 0.594 nan 8.150 nan 0.000 0.457 81 K N 0.961 121.378 120.400 0.028 0.000 2.110 81 K HA 0.479 4.799 4.320 0.000 0.000 0.263 81 K C -0.760 175.865 176.600 0.042 0.000 0.975 81 K CA -0.929 55.378 56.287 0.033 0.000 0.895 81 K CB 1.497 34.014 32.500 0.028 0.000 1.060 81 K HN 0.523 nan 8.250 nan 0.000 0.448 82 L N 2.635 123.880 121.223 0.037 0.000 2.367 82 L HA 0.157 4.497 4.340 0.000 0.000 0.275 82 L C -0.532 176.329 176.870 -0.016 0.000 1.129 82 L CA -0.310 54.545 54.840 0.026 0.000 0.839 82 L CB 0.144 42.220 42.059 0.028 0.000 1.133 82 L HN 0.409 nan 8.230 nan 0.000 0.453 83 L N 3.857 125.061 121.223 -0.032 0.000 2.417 83 L HA 0.337 4.677 4.340 0.000 0.000 0.268 83 L C 0.533 177.316 176.870 -0.146 0.000 1.158 83 L CA 0.489 55.291 54.840 -0.063 0.000 0.819 83 L CB 1.220 43.249 42.059 -0.050 0.000 1.112 83 L HN 0.869 nan 8.230 nan 0.000 0.458 84 S N 1.875 117.497 115.700 -0.130 0.000 2.603 84 S HA 0.222 4.692 4.470 0.000 0.000 0.268 84 S C 1.302 175.784 174.600 -0.198 0.000 1.317 84 S CA -0.639 57.466 58.200 -0.158 0.000 1.012 84 S CB 1.031 64.168 63.200 -0.105 0.000 0.926 84 S HN 0.367 nan 8.310 nan 0.000 0.539 85 V N 2.176 121.951 119.914 -0.230 0.000 2.324 85 V HA -0.208 3.912 4.120 0.000 0.000 0.250 85 V C 2.866 178.851 176.094 -0.182 0.000 1.060 85 V CA 2.251 64.394 62.300 -0.261 0.000 1.042 85 V CB -1.307 30.337 31.823 -0.297 0.000 0.650 85 V HN 0.992 nan 8.190 nan 0.000 0.450 86 E N 0.657 120.776 120.200 -0.136 0.000 2.072 86 E HA -0.260 4.090 4.350 0.000 0.000 0.191 86 E C 1.948 178.480 176.600 -0.114 0.000 0.985 86 E CA 1.474 57.809 56.400 -0.108 0.000 0.801 86 E CB -0.466 29.186 29.700 -0.080 0.000 0.750 86 E HN 0.721 nan 8.360 nan 0.000 0.452 87 E N 1.324 121.453 120.200 -0.119 0.000 2.058 87 E HA -0.157 4.193 4.350 0.000 0.000 0.194 87 E C 2.158 178.652 176.600 -0.177 0.000 0.997 87 E CA 1.448 57.771 56.400 -0.129 0.000 0.801 87 E CB -0.185 29.447 29.700 -0.114 0.000 0.746 87 E HN 0.393 nan 8.360 nan 0.000 0.450 88 A N 0.592 123.301 122.820 -0.185 0.000 1.898 88 A HA -0.169 4.151 4.320 0.000 0.000 0.216 88 A C 2.416 179.896 177.584 -0.173 0.000 1.181 88 A CA 1.085 53.001 52.037 -0.202 0.000 0.620 88 A CB -0.761 18.135 19.000 -0.173 0.000 0.819 88 A HN 0.364 nan 8.150 nan 0.000 0.442 89 C N -0.402 118.811 119.300 -0.146 0.000 2.429 89 C HA -0.081 4.379 4.460 0.000 0.000 0.277 89 C C 2.629 177.545 174.990 -0.124 0.000 1.262 89 C CA 1.250 60.196 59.018 -0.121 0.000 1.733 89 C CB -1.015 26.660 27.740 -0.110 0.000 2.010 89 C HN 0.578 nan 8.230 nan 0.000 0.483 90 K N 0.409 120.737 120.400 -0.121 0.000 2.281 90 K HA -0.070 4.250 4.320 0.000 0.000 0.203 90 K C 1.511 178.050 176.600 -0.101 0.000 1.046 90 K CA 1.017 57.246 56.287 -0.097 0.000 0.938 90 K CB -0.216 32.239 32.500 -0.076 0.000 0.737 90 K HN 0.552 nan 8.250 nan 0.000 0.458 91 L N 0.731 121.851 121.223 -0.171 0.000 2.554 91 L HA -0.007 4.333 4.340 0.000 0.000 0.226 91 L C 0.402 177.160 176.870 -0.187 0.000 1.137 91 L CA 0.202 54.903 54.840 -0.231 0.000 0.863 91 L CB -0.001 41.810 42.059 -0.412 0.000 0.985 91 L HN -0.023 nan 8.230 nan 0.000 0.451 92 T N 1.653 116.109 114.554 -0.163 0.000 2.794 92 T HA 0.213 4.563 4.350 0.000 0.000 0.296 92 T C -2.313 172.235 174.700 -0.253 0.000 0.949 92 T CA -1.156 60.846 62.100 -0.162 0.000 1.101 92 T CB 1.007 69.800 68.868 -0.125 0.000 0.905 92 T HN -0.136 nan 8.240 nan 0.000 0.516 93 P HA 0.148 nan 4.420 nan 0.000 0.268 93 P C -1.912 175.115 177.300 -0.455 0.000 1.205 93 P CA -1.407 61.457 63.100 -0.393 0.000 0.771 93 P CB 0.163 31.772 31.700 -0.151 0.000 0.858 94 P HA -0.144 nan 4.420 nan 0.000 0.219 94 P C 0.261 177.255 177.300 -0.511 0.000 1.146 94 P CA 1.665 64.393 63.100 -0.621 0.000 0.808 94 P CB -0.147 31.080 31.700 -0.788 0.000 0.779 95 H N -2.547 116.425 119.070 -0.164 0.000 2.512 95 H HA 0.272 4.828 4.556 0.000 0.000 0.276 95 H C 0.472 175.743 175.328 -0.096 0.000 1.126 95 H CA -0.477 55.510 56.048 -0.102 0.000 1.060 95 H CB 0.184 29.901 29.762 -0.075 0.000 1.646 95 H HN -0.029 nan 8.280 nan 0.000 0.571 96 S N 1.425 117.102 115.700 -0.039 0.000 2.563 96 S HA 0.253 4.723 4.470 0.000 0.000 0.284 96 S C 0.845 175.426 174.600 -0.032 0.000 1.331 96 S CA -0.458 57.709 58.200 -0.055 0.000 1.047 96 S CB 0.248 63.405 63.200 -0.072 0.000 0.859 96 S HN 0.502 nan 8.310 nan 0.000 0.514 97 A N 4.606 127.392 122.820 -0.057 0.000 2.565 97 A HA 0.209 4.529 4.320 0.000 0.000 0.237 97 A C 0.625 178.212 177.584 0.005 0.000 1.053 97 A CA 0.008 52.034 52.037 -0.017 0.000 0.755 97 A CB -0.204 18.794 19.000 -0.002 0.000 0.980 97 A HN 0.877 nan 8.150 nan 0.000 0.506 98 K N 2.197 122.592 120.400 -0.010 0.000 2.258 98 K HA 0.344 4.664 4.320 0.000 0.000 0.264 98 K C 0.317 176.843 176.600 -0.123 0.000 1.007 98 K CA -0.000 56.250 56.287 -0.062 0.000 0.941 98 K CB 0.491 32.954 32.500 -0.062 0.000 0.966 98 K HN 0.447 nan 8.250 nan 0.000 0.480 99 S N 0.175 115.689 115.700 -0.310 0.000 2.585 99 S HA 0.019 4.489 4.470 0.000 0.000 0.273 99 S C 0.742 175.121 174.600 -0.368 0.000 1.339 99 S CA -0.629 57.329 58.200 -0.402 0.000 1.028 99 S CB 0.524 63.102 63.200 -1.036 0.000 0.906 99 S HN 0.772 nan 8.310 nan 0.000 0.528 100 K N 2.315 122.479 120.400 -0.394 0.000 2.505 100 K HA 0.102 4.422 4.320 0.000 0.000 0.192 100 K C -0.466 175.682 176.600 -0.753 0.000 1.025 100 K CA 0.611 56.574 56.287 -0.539 0.000 1.086 100 K CB -0.204 31.937 32.500 -0.598 0.000 0.840 100 K HN 0.536 nan 8.250 nan 0.000 0.514 101 F N 1.248 121.004 119.950 -0.324 0.000 2.963 101 F HA 0.368 4.895 4.527 0.000 0.000 0.321 101 F C 0.836 176.532 175.800 -0.173 0.000 1.234 101 F CA -0.517 57.313 58.000 -0.282 0.000 1.296 101 F CB 1.091 39.784 39.000 -0.511 0.000 0.981 101 F HN 0.241 nan 8.300 nan 0.000 0.507 102 G N 0.923 109.683 108.800 -0.067 0.000 2.212 102 G HA2 -0.266 3.694 3.960 0.000 0.000 0.255 102 G HA3 -0.266 3.694 3.960 0.000 0.000 0.255 102 G C -0.495 174.511 174.900 0.177 0.000 1.062 102 G CA 0.235 45.364 45.100 0.049 0.000 0.815 102 G HN 0.674 nan 8.290 nan 0.000 0.497 103 Y N -3.492 116.810 120.300 0.003 0.000 2.702 103 Y HA 0.698 5.248 4.550 0.000 0.000 0.336 103 Y C 0.244 176.153 175.900 0.015 0.000 1.203 103 Y CA -0.942 57.164 58.100 0.011 0.000 1.072 103 Y CB 0.337 38.808 38.460 0.018 0.000 1.327 103 Y HN 0.866 nan 8.280 nan 0.000 0.456 104 G N -0.143 108.773 108.800 0.193 0.000 3.105 104 G HA2 0.578 4.538 3.960 0.000 0.000 0.277 104 G HA3 0.578 4.538 3.960 0.000 0.000 0.277 104 G C 0.219 175.194 174.900 0.125 0.000 1.375 104 G CA -0.726 44.425 45.100 0.084 0.000 0.962 104 G HN 1.273 nan 8.290 nan 0.000 0.541 105 A N -0.249 122.598 122.820 0.045 0.000 1.883 105 A HA -0.062 4.258 4.320 0.000 0.000 0.217 105 A C 2.198 179.765 177.584 -0.029 0.000 1.186 105 A CA 2.466 54.502 52.037 -0.002 0.000 0.624 105 A CB -0.579 18.381 19.000 -0.066 0.000 0.822 105 A HN 0.569 nan 8.150 nan 0.000 0.444 106 K N -0.093 120.287 120.400 -0.033 0.000 2.044 106 K HA -0.191 4.129 4.320 0.000 0.000 0.210 106 K C 1.624 178.211 176.600 -0.021 0.000 1.049 106 K CA 1.932 58.190 56.287 -0.049 0.000 0.927 106 K CB -0.229 32.254 32.500 -0.028 0.000 0.713 106 K HN 0.510 nan 8.250 nan 0.000 0.443 107 D N -0.345 120.072 120.400 0.028 0.000 2.104 107 D HA -0.161 4.479 4.640 0.000 0.000 0.194 107 D C 1.934 178.229 176.300 -0.008 0.000 0.994 107 D CA 1.444 55.462 54.000 0.029 0.000 0.830 107 D CB -0.259 40.602 40.800 0.102 0.000 0.959 107 D HN 0.037 nan 8.370 nan 0.000 0.452 108 V N 1.338 121.267 119.914 0.024 0.000 2.295 108 V HA -0.227 3.893 4.120 0.000 0.000 0.246 108 V C 2.496 178.555 176.094 -0.058 0.000 1.049 108 V CA 1.577 63.867 62.300 -0.017 0.000 1.024 108 V CB -0.400 31.447 31.823 0.039 0.000 0.648 108 V HN 0.142 nan 8.190 nan 0.000 0.447 109 R N 0.198 120.656 120.500 -0.070 0.000 2.115 109 R HA -0.088 4.252 4.340 0.000 0.000 0.230 109 R C 2.007 178.260 176.300 -0.077 0.000 1.111 109 R CA 1.261 57.303 56.100 -0.096 0.000 0.976 109 R CB -0.369 29.848 30.300 -0.139 0.000 0.870 109 R HN 0.509 nan 8.270 nan 0.000 0.445 110 N N 0.768 119.430 118.700 -0.063 0.000 2.457 110 N HA 0.014 4.754 4.740 0.000 0.000 0.180 110 N C 0.399 175.878 175.510 -0.052 0.000 1.050 110 N CA 0.527 53.546 53.050 -0.051 0.000 0.906 110 N CB 0.224 38.688 38.487 -0.040 0.000 0.968 110 N HN 0.152 nan 8.380 nan 0.000 0.445 111 L N 0.771 121.957 121.223 -0.062 0.000 3.730 111 L HA -0.187 4.153 4.340 0.000 0.000 0.410 111 L C -0.056 176.776 176.870 -0.064 0.000 1.234 111 L CA -0.137 54.662 54.840 -0.068 0.000 0.911 111 L CB -2.727 39.296 42.059 -0.059 0.000 1.942 111 L HN 0.123 nan 8.230 nan 0.000 0.860 112 S N -1.795 113.864 115.700 -0.067 0.000 2.525 112 S HA 0.188 4.658 4.470 0.000 0.000 0.285 112 S C 1.301 175.853 174.600 -0.079 0.000 1.283 112 S CA 0.297 58.461 58.200 -0.060 0.000 1.072 112 S CB 1.854 65.024 63.200 -0.050 0.000 0.867 112 S HN 0.315 nan 8.310 nan 0.000 0.492 113 S N 2.598 118.266 115.700 -0.053 0.000 2.440 113 S HA -0.140 4.330 4.470 0.000 0.000 0.238 113 S C 1.770 176.336 174.600 -0.057 0.000 1.010 113 S CA 1.551 59.724 58.200 -0.044 0.000 0.972 113 S CB -0.433 62.752 63.200 -0.026 0.000 0.774 113 S HN 0.896 nan 8.310 nan 0.000 0.501 114 K N 0.828 121.182 120.400 -0.076 0.000 2.057 114 K HA 0.015 4.335 4.320 0.000 0.000 0.206 114 K C 2.146 178.599 176.600 -0.244 0.000 1.050 114 K CA 1.165 57.396 56.287 -0.093 0.000 0.935 114 K CB -0.389 32.080 32.500 -0.051 0.000 0.715 114 K HN 0.286 nan 8.250 nan 0.000 0.439 115 A N 0.740 123.321 122.820 -0.397 0.000 1.873 115 A HA -0.082 4.238 4.320 0.000 0.000 0.215 115 A C 2.241 179.599 177.584 -0.378 0.000 1.186 115 A CA 1.569 53.151 52.037 -0.758 0.000 0.616 115 A CB -0.664 18.001 19.000 -0.559 0.000 0.823 115 A HN 0.166 nan 8.150 nan 0.000 0.442 116 V N 1.312 121.108 119.914 -0.196 0.000 2.295 116 V HA -0.294 3.826 4.120 0.000 0.000 0.246 116 V C 2.505 178.611 176.094 0.020 0.000 1.049 116 V CA 2.167 64.406 62.300 -0.103 0.000 1.024 116 V CB -1.055 30.752 31.823 -0.028 0.000 0.648 116 V HN 0.794 nan 8.190 nan 0.000 0.447 117 N N -0.408 118.316 118.700 0.041 0.000 2.069 117 N HA -0.303 4.437 4.740 0.000 0.000 0.191 117 N C 2.098 177.654 175.510 0.076 0.000 1.031 117 N CA 2.036 55.139 53.050 0.087 0.000 0.852 117 N CB -0.298 38.210 38.487 0.036 0.000 1.018 117 N HN 0.715 nan 8.380 nan 0.000 0.423 118 H N 0.939 119.970 119.070 -0.064 0.000 2.321 118 H HA -0.047 4.509 4.556 0.000 0.000 0.300 118 H C 2.313 177.629 175.328 -0.019 0.000 1.087 118 H CA 1.422 57.445 56.048 -0.041 0.000 1.319 118 H CB -0.068 29.699 29.762 0.008 0.000 1.379 118 H HN 0.269 nan 8.280 nan 0.000 0.501 119 I N 0.300 120.790 120.570 -0.132 0.000 2.208 119 I HA -0.310 3.860 4.170 0.000 0.000 0.245 119 I C 2.358 178.390 176.117 -0.142 0.000 1.097 119 I CA 1.532 62.733 61.300 -0.164 0.000 1.363 119 I CB -0.503 37.404 38.000 -0.155 0.000 1.051 119 I HN 0.342 nan 8.210 nan 0.000 0.413 120 H N 0.109 119.133 119.070 -0.077 0.000 2.387 120 H HA -0.160 4.396 4.556 0.000 0.000 0.299 120 H C 2.539 177.878 175.328 0.018 0.000 1.099 120 H CA 1.909 57.946 56.048 -0.018 0.000 1.315 120 H CB 0.062 29.800 29.762 -0.040 0.000 1.380 120 H HN 0.395 nan 8.280 nan 0.000 0.513 121 S N -0.334 115.389 115.700 0.038 0.000 2.395 121 S HA -0.097 4.373 4.470 0.000 0.000 0.225 121 S C 2.258 176.802 174.600 -0.093 0.000 1.027 121 S CA 0.929 59.112 58.200 -0.030 0.000 0.965 121 S CB -0.586 62.568 63.200 -0.076 0.000 0.812 121 S HN 0.149 nan 8.310 nan 0.000 0.482 122 V N 1.135 120.921 119.914 -0.213 0.000 2.343 122 V HA -0.151 3.969 4.120 0.000 0.000 0.247 122 V C 2.247 178.333 176.094 -0.013 0.000 1.051 122 V CA 1.923 64.120 62.300 -0.171 0.000 1.036 122 V CB -1.081 30.606 31.823 -0.226 0.000 0.654 122 V HN 0.724 nan 8.190 nan 0.000 0.451 123 W N 1.435 122.661 121.300 -0.124 0.000 2.355 123 W HA -0.240 4.420 4.660 0.000 0.000 0.309 123 W C 2.535 179.026 176.519 -0.047 0.000 1.206 123 W CA 2.324 59.625 57.345 -0.073 0.000 1.284 123 W CB -0.153 29.272 29.460 -0.059 0.000 1.145 123 W HN 0.257 nan 8.180 nan 0.000 0.502 124 K N 0.669 121.136 120.400 0.111 0.000 2.032 124 K HA -0.287 4.033 4.320 0.000 0.000 0.209 124 K C 1.770 178.316 176.600 -0.090 0.000 1.048 124 K CA 2.370 58.664 56.287 0.011 0.000 0.927 124 K CB -0.690 31.846 32.500 0.059 0.000 0.712 124 K HN 0.043 nan 8.250 nan 0.000 0.441 125 D N 0.161 120.510 120.400 -0.084 0.000 2.144 125 D HA -0.146 4.494 4.640 0.000 0.000 0.199 125 D C 1.994 178.209 176.300 -0.141 0.000 0.984 125 D CA 0.962 54.904 54.000 -0.096 0.000 0.834 125 D CB 0.055 40.805 40.800 -0.084 0.000 0.955 125 D HN 0.243 nan 8.370 nan 0.000 0.465 126 L N -0.024 121.076 121.223 -0.204 0.000 2.083 126 L HA -0.139 4.201 4.340 0.000 0.000 0.209 126 L C 2.417 179.109 176.870 -0.298 0.000 1.083 126 L CA 0.657 55.337 54.840 -0.266 0.000 0.752 126 L CB -0.333 41.503 42.059 -0.372 0.000 0.899 126 L HN 0.245 nan 8.230 nan 0.000 0.433 127 L N -0.786 120.228 121.223 -0.350 0.000 2.141 127 L HA -0.163 4.177 4.340 0.000 0.000 0.209 127 L C 2.310 179.083 176.870 -0.163 0.000 1.094 127 L CA 1.179 55.847 54.840 -0.287 0.000 0.763 127 L CB -0.409 41.483 42.059 -0.279 0.000 0.908 127 L HN 0.329 nan 8.230 nan 0.000 0.437 128 E N -0.899 119.223 120.200 -0.130 0.000 2.190 128 E HA -0.068 4.282 4.350 0.000 0.000 0.191 128 E C 0.296 176.851 176.600 -0.076 0.000 0.978 128 E CA 0.325 56.675 56.400 -0.084 0.000 0.839 128 E CB 0.298 29.960 29.700 -0.064 0.000 0.787 128 E HN 0.181 nan 8.360 nan 0.000 0.473 129 D N 0.149 120.497 120.400 -0.088 0.000 2.492 129 D HA 0.056 4.696 4.640 0.000 0.000 0.248 129 D C -0.041 176.209 176.300 -0.083 0.000 1.101 129 D CA -0.328 53.629 54.000 -0.071 0.000 0.840 129 D CB 1.558 42.322 40.800 -0.059 0.000 1.209 129 D HN -0.036 nan 8.370 nan 0.000 0.524 130 T N 0.297 114.810 114.554 -0.068 0.000 3.134 130 T HA 0.238 4.588 4.350 0.000 0.000 0.260 130 T C 0.962 175.630 174.700 -0.054 0.000 1.027 130 T CA -0.048 62.010 62.100 -0.070 0.000 0.913 130 T CB 0.230 69.062 68.868 -0.060 0.000 1.046 130 T HN 0.152 nan 8.240 nan 0.000 0.553 131 V N 0.047 119.934 119.914 -0.045 0.000 3.102 131 V HA 0.197 4.317 4.120 0.000 0.000 0.225 131 V C 0.978 177.060 176.094 -0.020 0.000 1.301 131 V CA 0.241 62.524 62.300 -0.029 0.000 1.308 131 V CB 0.045 31.854 31.823 -0.023 0.000 1.129 131 V HN 0.402 nan 8.190 nan 0.000 0.502 132 T N 4.348 118.890 114.554 -0.021 0.000 2.829 132 T HA 0.156 4.507 4.350 0.000 0.000 0.293 132 T C -2.436 172.260 174.700 -0.006 0.000 0.970 132 T CA -0.308 61.788 62.100 -0.006 0.000 1.168 132 T CB 0.639 69.502 68.868 -0.007 0.000 0.911 132 T HN 0.171 nan 8.240 nan 0.000 0.535 133 P HA 0.152 nan 4.420 nan 0.000 0.265 133 P C -0.172 177.120 177.300 -0.013 0.000 1.193 133 P CA -0.055 63.051 63.100 0.010 0.000 0.765 133 P CB 0.340 32.087 31.700 0.080 0.000 0.823 134 I N 2.351 122.895 120.570 -0.043 0.000 2.440 134 I HA 0.161 4.331 4.170 0.000 0.000 0.294 134 I C 0.956 177.047 176.117 -0.043 0.000 0.995 134 I CA -0.429 60.852 61.300 -0.032 0.000 1.306 134 I CB 0.741 38.716 38.000 -0.042 0.000 1.407 134 I HN 0.298 nan 8.210 nan 0.000 0.501 135 D N 3.859 124.249 120.400 -0.017 0.000 2.362 135 D HA 0.265 4.905 4.640 0.000 0.000 0.242 135 D C -0.430 175.827 176.300 -0.072 0.000 1.132 135 D CA 0.210 54.185 54.000 -0.042 0.000 0.907 135 D CB 0.878 41.669 40.800 -0.015 0.000 1.195 135 D HN 0.626 nan 8.370 nan 0.000 0.429 136 T N -1.119 113.362 114.554 -0.122 0.000 2.903 136 T HA 0.584 4.934 4.350 0.000 0.000 0.299 136 T C -0.483 174.056 174.700 -0.268 0.000 1.093 136 T CA -0.955 61.031 62.100 -0.189 0.000 1.002 136 T CB 1.402 70.184 68.868 -0.144 0.000 1.127 136 T HN 0.199 nan 8.240 nan 0.000 0.488 137 T N 2.349 116.586 114.554 -0.528 0.000 2.837 137 T HA 0.575 4.925 4.350 0.000 0.000 0.285 137 T C -0.285 174.185 174.700 -0.383 0.000 0.984 137 T CA -0.611 61.176 62.100 -0.522 0.000 1.049 137 T CB 0.712 69.097 68.868 -0.805 0.000 0.947 137 T HN 0.721 nan 8.240 nan 0.000 0.472 138 I N 4.172 124.675 120.570 -0.111 0.000 2.354 138 I HA 0.500 4.670 4.170 0.000 0.000 0.292 138 I C -0.931 175.241 176.117 0.091 0.000 0.989 138 I CA -0.787 60.538 61.300 0.041 0.000 1.188 138 I CB 0.619 38.696 38.000 0.127 0.000 1.342 138 I HN 0.402 nan 8.210 nan 0.000 0.457 139 M N 6.530 126.228 119.600 0.164 0.000 2.518 139 M HA 0.481 4.961 4.480 0.000 0.000 0.300 139 M C -0.577 175.798 176.300 0.125 0.000 1.175 139 M CA -0.590 54.806 55.300 0.159 0.000 0.890 139 M CB 1.877 34.623 32.600 0.243 0.000 1.710 139 M HN 0.597 nan 8.290 nan 0.000 0.453 140 A N 2.652 125.523 122.820 0.085 0.000 2.320 140 A HA 0.497 4.817 4.320 0.000 0.000 0.287 140 A C -0.139 177.483 177.584 0.064 0.000 1.181 140 A CA -0.447 51.629 52.037 0.065 0.000 0.831 140 A CB 0.211 19.235 19.000 0.040 0.000 1.102 140 A HN 0.775 nan 8.150 nan 0.000 0.513 141 K N 2.060 122.497 120.400 0.063 0.000 2.270 141 K HA 0.143 4.463 4.320 0.000 0.000 0.276 141 K C -0.597 176.009 176.600 0.010 0.000 1.023 141 K CA 0.048 56.359 56.287 0.040 0.000 0.955 141 K CB 0.615 33.143 32.500 0.046 0.000 0.975 141 K HN 0.774 nan 8.250 nan 0.000 0.471 142 N N 2.619 121.302 118.700 -0.029 0.000 2.462 142 N HA 0.104 4.844 4.740 0.000 0.000 0.242 142 N C -1.215 174.173 175.510 -0.203 0.000 1.010 142 N CA -0.263 52.732 53.050 -0.091 0.000 0.939 142 N CB 0.900 39.346 38.487 -0.068 0.000 1.127 142 N HN 0.390 nan 8.380 nan 0.000 0.509 143 E N 1.020 121.044 120.200 -0.294 0.000 2.314 143 E HA 0.378 4.728 4.350 0.000 0.000 0.272 143 E C -1.035 175.022 176.600 -0.906 0.000 0.884 143 E CA -0.908 55.171 56.400 -0.534 0.000 0.753 143 E CB 2.502 31.941 29.700 -0.435 0.000 1.213 143 E HN 0.117 nan 8.360 nan 0.000 0.432 144 V N 3.407 122.681 119.914 -1.066 0.000 2.439 144 V HA 0.472 4.592 4.120 0.000 0.000 0.282 144 V C -0.690 174.680 176.094 -1.207 0.000 1.039 144 V CA -0.170 61.492 62.300 -1.062 0.000 0.913 144 V CB 0.095 31.413 31.823 -0.841 0.000 0.983 144 V HN 0.506 nan 8.190 nan 0.000 0.460 145 F N 2.177 121.735 119.950 -0.653 0.000 2.706 145 F HA 0.671 5.198 4.527 0.000 0.000 0.328 145 F C 0.081 175.650 175.800 -0.384 0.000 1.123 145 F CA -0.919 56.777 58.000 -0.506 0.000 0.978 145 F CB 1.298 39.983 39.000 -0.524 0.000 1.404 145 F HN 0.547 nan 8.300 nan 0.000 0.497 146 C N 1.961 121.338 119.300 0.127 0.000 2.435 146 C HA 0.828 5.288 4.460 0.000 0.000 0.333 146 C C -0.303 174.884 174.990 0.329 0.000 1.202 146 C CA -0.751 58.385 59.018 0.197 0.000 1.830 146 C CB 0.494 28.308 27.740 0.124 0.000 2.326 146 C HN 0.728 nan 8.230 nan 0.000 0.507 147 V N 5.066 125.183 119.914 0.339 0.000 2.599 147 V HA 0.284 4.404 4.120 0.000 0.000 0.300 147 V C 0.256 176.421 176.094 0.119 0.000 1.034 147 V CA 0.353 62.795 62.300 0.237 0.000 1.115 147 V CB -0.169 31.721 31.823 0.111 0.000 0.934 147 V HN 1.298 nan 8.190 nan 0.000 0.485 155 K N 3.578 124.026 120.400 0.081 0.000 2.276 155 K HA 0.304 4.624 4.320 0.000 0.000 0.283 155 K C -1.893 174.773 176.600 0.110 0.000 1.044 155 K CA -1.505 54.802 56.287 0.035 0.000 0.944 155 K CB 0.731 33.150 32.500 -0.135 0.000 1.012 155 K HN 0.217 nan 8.250 nan 0.000 0.472 156 P HA 0.004 nan 4.420 nan 0.000 0.271 156 P C -0.639 176.720 177.300 0.097 0.000 1.218 156 P CA -0.333 62.804 63.100 0.061 0.000 0.780 156 P CB 0.758 32.468 31.700 0.016 0.000 0.901 157 A N 3.962 126.844 122.820 0.104 0.000 2.507 157 A HA 0.058 4.378 4.320 0.000 0.000 0.235 157 A C 0.563 178.202 177.584 0.092 0.000 1.070 157 A CA 0.146 52.252 52.037 0.115 0.000 0.768 157 A CB -0.309 18.739 19.000 0.081 0.000 1.011 157 A HN 0.511 nan 8.150 nan 0.000 0.502 158 R N -0.101 120.465 120.500 0.111 0.000 2.490 158 R HA 0.503 4.843 4.340 0.000 0.000 0.278 158 R C -0.692 175.662 176.300 0.090 0.000 1.069 158 R CA -0.173 55.989 56.100 0.102 0.000 1.080 158 R CB 0.664 31.039 30.300 0.125 0.000 1.030 158 R HN 0.641 nan 8.270 nan 0.000 0.491 159 L N 3.630 124.907 121.223 0.091 0.000 2.275 159 L HA 0.424 4.764 4.340 0.000 0.000 0.288 159 L C -0.374 176.584 176.870 0.147 0.000 1.046 159 L CA -0.687 54.214 54.840 0.102 0.000 0.805 159 L CB 1.131 43.236 42.059 0.077 0.000 1.193 159 L HN 0.467 nan 8.230 nan 0.000 0.426 160 I N 3.909 124.582 120.570 0.172 0.000 2.441 160 I HA 0.505 4.675 4.170 0.000 0.000 0.295 160 I C -0.676 175.619 176.117 0.297 0.000 0.994 160 I CA -0.293 61.141 61.300 0.223 0.000 1.144 160 I CB 1.810 39.932 38.000 0.203 0.000 1.314 160 I HN 0.199 nan 8.210 nan 0.000 0.445 161 V N 8.473 128.568 119.914 0.303 0.000 2.588 161 V HA 0.637 4.757 4.120 0.000 0.000 0.304 161 V C -0.914 175.365 176.094 0.307 0.000 1.042 161 V CA -0.524 61.913 62.300 0.229 0.000 0.877 161 V CB 1.396 33.318 31.823 0.165 0.000 0.996 161 V HN 0.625 nan 8.190 nan 0.000 0.425 162 F N 4.370 124.365 119.950 0.075 0.000 2.665 162 F HA 0.891 5.418 4.527 0.000 0.000 0.308 162 F C -3.169 172.669 175.800 0.064 0.000 1.112 162 F CA -2.404 55.641 58.000 0.075 0.000 0.972 162 F CB 1.529 40.570 39.000 0.069 0.000 1.295 162 F HN 0.318 nan 8.300 nan 0.000 0.440 163 P HA 0.168 nan 4.420 nan 0.000 0.276 163 P C -0.960 176.459 177.300 0.199 0.000 1.261 163 P CA -0.067 63.096 63.100 0.105 0.000 0.800 163 P CB 1.107 32.882 31.700 0.125 0.000 1.066 164 D N -0.594 119.900 120.400 0.156 0.000 2.400 164 D HA -0.052 4.588 4.640 0.000 0.000 0.238 164 D C 1.380 177.812 176.300 0.220 0.000 1.157 164 D CA -0.296 53.823 54.000 0.199 0.000 0.889 164 D CB 0.309 41.266 40.800 0.262 0.000 1.199 164 D HN 0.121 nan 8.370 nan 0.000 0.436 165 L N 3.440 124.775 121.223 0.186 0.000 2.051 165 L HA -0.057 4.283 4.340 0.000 0.000 0.214 165 L C 2.022 179.027 176.870 0.226 0.000 1.076 165 L CA 2.667 57.609 54.840 0.169 0.000 0.758 165 L CB -1.123 40.998 42.059 0.102 0.000 0.890 165 L HN 0.654 nan 8.230 nan 0.000 0.433 166 G N -1.313 107.681 108.800 0.323 0.000 2.422 166 G HA2 -0.182 3.778 3.960 0.000 0.000 0.218 166 G HA3 -0.182 3.778 3.960 0.000 0.000 0.218 166 G C 1.512 176.518 174.900 0.176 0.000 1.146 166 G CA 1.025 46.323 45.100 0.330 0.000 0.769 166 G HN 0.374 nan 8.290 nan 0.000 0.547 167 V N 0.810 120.828 119.914 0.172 0.000 2.343 167 V HA -0.169 3.951 4.120 0.000 0.000 0.247 167 V C 2.908 179.083 176.094 0.136 0.000 1.051 167 V CA 1.888 64.264 62.300 0.126 0.000 1.036 167 V CB -0.477 31.414 31.823 0.114 0.000 0.654 167 V HN 0.330 nan 8.190 nan 0.000 0.451 168 R N -0.254 120.336 120.500 0.150 0.000 2.105 168 R HA -0.120 4.220 4.340 0.000 0.000 0.239 168 R C 2.219 178.581 176.300 0.103 0.000 1.135 168 R CA 1.421 57.603 56.100 0.137 0.000 0.967 168 R CB -0.617 29.759 30.300 0.127 0.000 0.861 168 R HN 0.420 nan 8.270 nan 0.000 0.442 169 V N 0.256 120.223 119.914 0.088 0.000 2.515 169 V HA -0.254 3.866 4.120 0.000 0.000 0.250 169 V C 2.403 178.521 176.094 0.040 0.000 1.058 169 V CA 1.366 63.687 62.300 0.034 0.000 1.064 169 V CB -0.333 31.497 31.823 0.013 0.000 0.675 169 V HN 0.450 nan 8.190 nan 0.000 0.461 170 C N -0.166 119.200 119.300 0.109 0.000 2.440 170 C HA -0.106 4.354 4.460 0.000 0.000 0.278 170 C C 2.632 177.776 174.990 0.258 0.000 1.295 170 C CA 0.698 59.853 59.018 0.229 0.000 1.738 170 C CB -0.889 27.040 27.740 0.316 0.000 1.987 170 C HN 0.618 nan 8.230 nan 0.000 0.492 171 E N 0.892 121.208 120.200 0.192 0.000 2.085 171 E HA -0.236 4.114 4.350 0.000 0.000 0.194 171 E C 2.121 178.834 176.600 0.188 0.000 0.994 171 E CA 1.249 57.775 56.400 0.210 0.000 0.801 171 E CB -0.142 29.693 29.700 0.224 0.000 0.743 171 E HN 0.642 nan 8.360 nan 0.000 0.453 172 K N 0.369 120.848 120.400 0.132 0.000 2.026 172 K HA -0.107 4.213 4.320 0.000 0.000 0.208 172 K C 2.223 178.877 176.600 0.089 0.000 1.048 172 K CA 1.393 57.743 56.287 0.106 0.000 0.929 172 K CB -0.132 32.350 32.500 -0.030 0.000 0.713 172 K HN 0.100 nan 8.250 nan 0.000 0.439 173 M N 0.347 119.959 119.600 0.019 0.000 2.080 173 M HA -0.206 4.274 4.480 0.000 0.000 0.260 173 M C 2.427 178.768 176.300 0.068 0.000 1.068 173 M CA 1.898 57.153 55.300 -0.074 0.000 1.109 173 M CB -0.366 32.018 32.600 -0.361 0.000 1.342 173 M HN 0.253 nan 8.290 nan 0.000 0.405 174 A N -0.755 122.211 122.820 0.243 0.000 1.935 174 A HA 0.081 4.401 4.320 0.000 0.000 0.214 174 A C 1.860 179.537 177.584 0.155 0.000 1.178 174 A CA 1.037 53.257 52.037 0.305 0.000 0.640 174 A CB -0.115 19.105 19.000 0.368 0.000 0.825 174 A HN 0.495 nan 8.150 nan 0.000 0.447 175 L N -3.174 118.126 121.223 0.129 0.000 2.993 175 L HA 0.180 4.520 4.340 0.000 0.000 0.264 175 L C 1.877 178.765 176.870 0.029 0.000 1.154 175 L CA 0.081 54.936 54.840 0.025 0.000 0.972 175 L CB 0.103 42.163 42.059 0.002 0.000 1.373 175 L HN 0.468 nan 8.230 nan 0.000 0.564 176 Y N 1.415 121.722 120.300 0.011 0.000 2.165 176 Y HA -0.311 4.239 4.550 0.000 0.000 0.286 176 Y C 2.193 178.116 175.900 0.039 0.000 1.155 176 Y CA 2.236 60.357 58.100 0.036 0.000 1.164 176 Y CB 0.138 38.610 38.460 0.020 0.000 0.978 176 Y HN 0.205 nan 8.280 nan 0.000 0.513 177 D N -0.781 119.648 120.400 0.047 0.000 2.183 177 D HA -0.134 4.506 4.640 0.000 0.000 0.203 177 D C 2.147 178.384 176.300 -0.105 0.000 0.969 177 D CA 1.194 55.179 54.000 -0.024 0.000 0.842 177 D CB -0.118 40.717 40.800 0.058 0.000 0.957 177 D HN 0.273 nan 8.370 nan 0.000 0.484 178 V N 0.649 120.496 119.914 -0.112 0.000 2.244 178 V HA -0.208 3.912 4.120 0.000 0.000 0.244 178 V C 2.717 178.683 176.094 -0.213 0.000 1.042 178 V CA 1.801 64.006 62.300 -0.159 0.000 1.006 178 V CB -0.726 30.960 31.823 -0.230 0.000 0.641 178 V HN 0.313 nan 8.190 nan 0.000 0.446 179 V N -2.427 117.334 119.914 -0.255 0.000 3.078 179 V HA -0.091 4.029 4.120 0.000 0.000 0.265 179 V C 1.950 177.879 176.094 -0.275 0.000 1.122 179 V CA 2.056 64.204 62.300 -0.253 0.000 1.141 179 V CB -0.453 31.243 31.823 -0.211 0.000 0.735 179 V HN 0.443 nan 8.190 nan 0.000 0.498 180 S N 0.688 116.219 115.700 -0.281 0.000 2.503 180 S HA 0.016 4.486 4.470 0.000 0.000 0.217 180 S C 1.827 176.335 174.600 -0.154 0.000 0.999 180 S CA 1.189 59.252 58.200 -0.228 0.000 0.914 180 S CB 0.142 63.164 63.200 -0.297 0.000 0.782 180 S HN 0.960 nan 8.310 nan 0.000 0.520 181 T N -1.452 113.004 114.554 -0.163 0.000 2.989 181 T HA 0.273 4.623 4.350 0.000 0.000 0.250 181 T C 1.579 176.181 174.700 -0.163 0.000 0.981 181 T CA -0.293 61.730 62.100 -0.127 0.000 0.980 181 T CB -0.407 68.413 68.868 -0.081 0.000 1.133 181 T HN 0.155 nan 8.240 nan 0.000 0.489 182 L N 2.432 123.552 121.223 -0.173 0.000 2.017 182 L HA 0.152 4.492 4.340 0.000 0.000 0.208 182 L C -0.957 175.759 176.870 -0.256 0.000 1.073 182 L CA 2.121 56.869 54.840 -0.154 0.000 0.745 182 L CB -1.638 40.376 42.059 -0.075 0.000 0.894 182 L HN 0.127 nan 8.230 nan 0.000 0.432 183 P HA -0.210 nan 4.420 nan 0.000 0.215 183 P C 1.663 178.564 177.300 -0.664 0.000 1.157 183 P CA 1.330 64.016 63.100 -0.691 0.000 0.874 183 P CB -0.171 30.732 31.700 -1.328 0.000 0.790 184 Q N 0.008 119.452 119.800 -0.593 0.000 2.084 184 Q HA -0.109 4.231 4.340 0.000 0.000 0.202 184 Q C 2.038 177.922 176.000 -0.193 0.000 0.978 184 Q CA 1.514 57.148 55.803 -0.281 0.000 0.844 184 Q CB -0.908 27.753 28.738 -0.129 0.000 0.898 184 Q HN 0.064 nan 8.270 nan 0.000 0.426 185 V N 0.183 119.990 119.914 -0.178 0.000 2.343 185 V HA -0.224 3.896 4.120 0.000 0.000 0.247 185 V C 2.534 178.552 176.094 -0.127 0.000 1.051 185 V CA 1.547 63.774 62.300 -0.120 0.000 1.036 185 V CB -0.506 31.260 31.823 -0.095 0.000 0.654 185 V HN 0.139 nan 8.190 nan 0.000 0.451 186 V N -0.926 118.881 119.914 -0.177 0.000 2.453 186 V HA -0.158 3.962 4.120 0.000 0.000 0.247 186 V C 1.987 177.932 176.094 -0.249 0.000 1.048 186 V CA 2.045 64.236 62.300 -0.182 0.000 1.049 186 V CB -0.385 31.317 31.823 -0.201 0.000 0.672 186 V HN 0.485 nan 8.190 nan 0.000 0.457 187 M N -1.507 117.897 119.600 -0.328 0.000 2.331 187 M HA 0.391 4.871 4.480 0.000 0.000 0.266 187 M C 1.439 177.644 176.300 -0.158 0.000 1.055 187 M CA 0.740 55.784 55.300 -0.426 0.000 1.048 187 M CB 0.719 32.957 32.600 -0.603 0.000 1.460 187 M HN 0.424 nan 8.290 nan 0.000 0.519 188 G N 1.715 110.448 108.800 -0.111 0.000 2.596 188 G HA2 -0.397 3.563 3.960 0.000 0.000 0.295 188 G HA3 -0.397 3.563 3.960 0.000 0.000 0.295 188 G C 0.822 175.694 174.900 -0.047 0.000 1.240 188 G CA 0.871 45.942 45.100 -0.048 0.000 0.985 188 G HN 0.541 nan 8.290 nan 0.000 0.555 189 S N -0.663 115.034 115.700 -0.004 0.000 2.493 189 S HA 0.013 4.483 4.470 0.000 0.000 0.243 189 S C 2.179 176.684 174.600 -0.157 0.000 0.991 189 S CA 2.164 60.327 58.200 -0.062 0.000 0.957 189 S CB -0.160 63.114 63.200 0.123 0.000 0.756 189 S HN 1.037 nan 8.310 nan 0.000 0.521 190 S N -0.084 115.612 115.700 -0.006 0.000 2.496 190 S HA 0.172 4.642 4.470 0.000 0.000 0.224 190 S C 0.241 174.850 174.600 0.015 0.000 0.996 190 S CA -0.274 57.961 58.200 0.059 0.000 0.927 190 S CB -0.351 62.985 63.200 0.226 0.000 0.774 190 S HN 0.694 nan 8.310 nan 0.000 0.524 191 Y N 3.078 123.262 120.300 -0.194 0.000 2.587 191 Y HA 0.418 4.968 4.550 0.000 0.000 0.344 191 Y C 1.266 177.002 175.900 -0.272 0.000 1.061 191 Y CA -1.222 56.747 58.100 -0.218 0.000 1.370 191 Y CB 0.120 38.450 38.460 -0.217 0.000 1.163 191 Y HN 0.068 nan 8.280 nan 0.000 0.527 192 G N 4.532 112.927 108.800 -0.676 0.000 2.484 192 G HA2 -0.227 3.733 3.960 0.000 0.000 0.218 192 G HA3 -0.227 3.733 3.960 0.000 0.000 0.218 192 G C 0.924 175.353 174.900 -0.785 0.000 1.130 192 G CA 0.125 44.857 45.100 -0.613 0.000 0.784 192 G HN 0.637 nan 8.290 nan 0.000 0.543 193 F N 1.155 120.475 119.950 -1.049 0.000 2.811 193 F HA 0.099 4.626 4.527 0.000 0.000 0.301 193 F C 2.677 178.341 175.800 -0.226 0.000 1.151 193 F CA 0.530 58.096 58.000 -0.723 0.000 1.412 193 F CB 0.087 38.598 39.000 -0.815 0.000 1.113 193 F HN 0.343 nan 8.300 nan 0.000 0.579 194 Q N -0.757 118.859 119.800 -0.307 0.000 2.451 194 Q HA -0.043 4.297 4.340 0.000 0.000 0.206 194 Q C -0.679 175.198 176.000 -0.205 0.000 0.947 194 Q CA 0.640 56.320 55.803 -0.205 0.000 0.937 194 Q CB -0.221 28.289 28.738 -0.380 0.000 1.025 194 Q HN 0.297 nan 8.270 nan 0.000 0.511 195 Y N 1.882 122.230 120.300 0.081 0.000 2.341 195 Y HA 0.300 4.850 4.550 0.000 0.000 0.337 195 Y C 0.535 176.357 175.900 -0.129 0.000 1.014 195 Y CA -1.258 56.826 58.100 -0.027 0.000 1.111 195 Y CB 1.537 39.930 38.460 -0.112 0.000 1.194 195 Y HN 0.093 nan 8.280 nan 0.000 0.462 196 S N 2.964 118.459 115.700 -0.341 0.000 2.589 196 S HA 0.173 4.643 4.470 0.000 0.000 0.265 196 S C -1.965 172.316 174.600 -0.532 0.000 1.342 196 S CA -0.963 56.551 58.200 -1.144 0.000 1.005 196 S CB 1.139 63.722 63.200 -1.028 0.000 0.909 196 S HN 0.438 nan 8.310 nan 0.000 0.555 197 P HA -0.015 nan 4.420 nan 0.000 0.216 197 P C 1.724 178.925 177.300 -0.165 0.000 1.153 197 P CA 1.777 64.736 63.100 -0.235 0.000 0.858 197 P CB -0.544 31.054 31.700 -0.169 0.000 0.789 198 G N -0.411 108.247 108.800 -0.236 0.000 2.432 198 G HA2 -0.262 3.698 3.960 0.000 0.000 0.219 198 G HA3 -0.262 3.698 3.960 0.000 0.000 0.219 198 G C 1.514 176.345 174.900 -0.115 0.000 1.135 198 G CA 0.516 45.540 45.100 -0.126 0.000 0.767 198 G HN 0.325 nan 8.290 nan 0.000 0.550 199 Q N -0.623 119.092 119.800 -0.142 0.000 2.230 199 Q HA 0.066 4.406 4.340 0.000 0.000 0.202 199 Q C 2.574 178.444 176.000 -0.216 0.000 0.963 199 Q CA 0.491 56.248 55.803 -0.076 0.000 0.866 199 Q CB -0.049 28.731 28.738 0.070 0.000 0.931 199 Q HN 0.425 nan 8.270 nan 0.000 0.452 200 R N 0.355 120.727 120.500 -0.213 0.000 2.075 200 R HA -0.112 4.228 4.340 0.000 0.000 0.232 200 R C 2.104 178.286 176.300 -0.196 0.000 1.126 200 R CA 1.058 56.977 56.100 -0.301 0.000 0.963 200 R CB -0.054 30.167 30.300 -0.133 0.000 0.858 200 R HN 0.085 nan 8.270 nan 0.000 0.435 201 V N 1.349 121.187 119.914 -0.125 0.000 2.295 201 V HA -0.261 3.859 4.120 0.000 0.000 0.246 201 V C 2.345 178.359 176.094 -0.134 0.000 1.049 201 V CA 2.281 64.519 62.300 -0.104 0.000 1.024 201 V CB -0.600 31.204 31.823 -0.032 0.000 0.648 201 V HN 0.499 nan 8.190 nan 0.000 0.447 202 E N -0.321 119.816 120.200 -0.106 0.000 2.085 202 E HA -0.286 4.064 4.350 0.000 0.000 0.194 202 E C 2.116 178.650 176.600 -0.110 0.000 0.994 202 E CA 1.781 58.123 56.400 -0.096 0.000 0.801 202 E CB -0.260 29.413 29.700 -0.045 0.000 0.743 202 E HN 0.546 nan 8.360 nan 0.000 0.453 203 F N 1.189 120.963 119.950 -0.293 0.000 2.102 203 F HA -0.142 4.385 4.527 0.000 0.000 0.298 203 F C 1.895 177.563 175.800 -0.220 0.000 1.105 203 F CA 1.368 59.188 58.000 -0.301 0.000 1.239 203 F CB -0.239 38.409 39.000 -0.587 0.000 0.991 203 F HN 0.013 nan 8.300 nan 0.000 0.474 204 L N -0.682 120.404 121.223 -0.228 0.000 1.994 204 L HA -0.242 4.098 4.340 0.000 0.000 0.208 204 L C 2.426 179.140 176.870 -0.261 0.000 1.071 204 L CA 1.329 56.015 54.840 -0.257 0.000 0.745 204 L CB -0.983 40.975 42.059 -0.169 0.000 0.892 204 L HN 0.005 nan 8.230 nan 0.000 0.431 205 V N 0.189 119.927 119.914 -0.293 0.000 2.287 205 V HA -0.298 3.822 4.120 0.000 0.000 0.248 205 V C 2.245 178.207 176.094 -0.219 0.000 1.053 205 V CA 2.021 64.109 62.300 -0.354 0.000 1.027 205 V CB -0.698 30.769 31.823 -0.594 0.000 0.646 205 V HN 0.489 nan 8.190 nan 0.000 0.447 206 N N -0.108 118.458 118.700 -0.223 0.000 2.142 206 N HA -0.120 4.620 4.740 0.000 0.000 0.186 206 N C 1.927 177.319 175.510 -0.196 0.000 1.023 206 N CA 1.836 54.782 53.050 -0.172 0.000 0.852 206 N CB -0.707 37.694 38.487 -0.143 0.000 0.998 206 N HN 0.457 nan 8.380 nan 0.000 0.424 207 T N 0.783 115.133 114.554 -0.339 0.000 2.684 207 T HA -0.179 4.171 4.350 0.000 0.000 0.267 207 T C 1.491 176.092 174.700 -0.165 0.000 1.036 207 T CA 0.900 62.788 62.100 -0.353 0.000 1.148 207 T CB -0.295 68.204 68.868 -0.615 0.000 0.863 207 T HN 0.433 nan 8.240 nan 0.000 0.436 208 W N 2.035 123.163 121.300 -0.285 0.000 2.335 208 W HA -0.111 4.549 4.660 0.000 0.000 0.311 208 W C 1.888 178.313 176.519 -0.156 0.000 1.213 208 W CA 1.270 58.492 57.345 -0.204 0.000 1.274 208 W CB -0.231 29.106 29.460 -0.204 0.000 1.148 208 W HN 0.244 nan 8.180 nan 0.000 0.498 209 K N 0.264 120.691 120.400 0.045 0.000 2.365 209 K HA -0.118 4.202 4.320 0.000 0.000 0.199 209 K C 2.184 178.733 176.600 -0.084 0.000 1.045 209 K CA 1.524 57.804 56.287 -0.012 0.000 0.962 209 K CB -0.176 32.323 32.500 -0.002 0.000 0.759 209 K HN 0.061 nan 8.250 nan 0.000 0.469 210 S N 0.220 115.851 115.700 -0.114 0.000 2.496 210 S HA 0.040 4.510 4.470 0.000 0.000 0.224 210 S C 0.494 175.017 174.600 -0.129 0.000 0.996 210 S CA 0.090 58.225 58.200 -0.108 0.000 0.927 210 S CB 0.078 63.214 63.200 -0.108 0.000 0.774 210 S HN -0.057 nan 8.310 nan 0.000 0.524 211 K N 1.672 121.958 120.400 -0.191 0.000 2.218 211 K HA 0.327 4.647 4.320 0.000 0.000 0.276 211 K C 0.511 177.003 176.600 -0.180 0.000 1.022 211 K CA -0.304 55.858 56.287 -0.208 0.000 0.946 211 K CB 0.906 33.214 32.500 -0.320 0.000 1.000 211 K HN -0.023 nan 8.250 nan 0.000 0.468 212 K N 1.173 121.492 120.400 -0.135 0.000 1.991 212 K HA -0.146 4.174 4.320 0.000 0.000 0.212 212 K C 0.713 177.238 176.600 -0.125 0.000 1.049 212 K CA 1.482 57.706 56.287 -0.105 0.000 0.932 212 K CB -0.033 32.420 32.500 -0.077 0.000 0.717 212 K HN 0.619 nan 8.250 nan 0.000 0.441 213 N N 0.388 119.001 118.700 -0.146 0.000 2.648 213 N HA 0.186 4.926 4.740 0.000 0.000 0.261 213 N C -2.892 172.488 175.510 -0.215 0.000 1.138 213 N CA -1.641 51.321 53.050 -0.147 0.000 0.804 213 N CB 1.248 39.685 38.487 -0.083 0.000 1.237 213 N HN -0.105 nan 8.380 nan 0.000 0.532 214 P HA 0.119 nan 4.420 nan 0.000 0.271 214 P C -0.842 176.157 177.300 -0.501 0.000 1.218 214 P CA -0.256 62.397 63.100 -0.745 0.000 0.780 214 P CB 1.282 31.939 31.700 -1.739 0.000 0.901 215 M N 1.572 120.923 119.600 -0.415 0.000 2.550 215 M HA 0.691 5.171 4.480 0.000 0.000 0.292 215 M C -1.145 175.080 176.300 -0.125 0.000 1.221 215 M CA -0.402 54.761 55.300 -0.228 0.000 0.873 215 M CB 2.579 35.128 32.600 -0.084 0.000 1.727 215 M HN 0.609 nan 8.290 nan 0.000 0.459 216 G N 2.709 111.527 108.800 0.030 0.000 2.692 216 G HA2 0.813 4.773 3.960 0.000 0.000 0.291 216 G HA3 0.813 4.773 3.960 0.000 0.000 0.291 216 G C -2.129 172.849 174.900 0.129 0.000 1.423 216 G CA -0.638 44.521 45.100 0.097 0.000 0.843 216 G HN 0.856 nan 8.290 nan 0.000 0.486 217 F N -0.594 119.321 119.950 -0.058 0.000 2.688 217 F HA 0.753 5.280 4.527 0.000 0.000 0.308 217 F C -0.204 175.578 175.800 -0.029 0.000 1.117 217 F CA -1.307 56.655 58.000 -0.064 0.000 0.976 217 F CB 1.120 40.062 39.000 -0.095 0.000 1.291 217 F HN 0.683 nan 8.300 nan 0.000 0.439 218 S N 1.343 117.132 115.700 0.149 0.000 2.616 218 S HA 0.642 5.112 4.470 0.000 0.000 0.277 218 S C -1.447 173.363 174.600 0.350 0.000 1.234 218 S CA -0.544 57.734 58.200 0.130 0.000 1.028 218 S CB 1.652 64.891 63.200 0.066 0.000 0.988 218 S HN 0.894 nan 8.310 nan 0.000 0.522 219 Y N 1.119 121.542 120.300 0.205 0.000 2.338 219 Y HA 0.448 4.998 4.550 0.000 0.000 0.333 219 Y C -1.127 174.886 175.900 0.189 0.000 0.968 219 Y CA -0.906 57.355 58.100 0.269 0.000 1.123 219 Y CB 1.492 40.207 38.460 0.425 0.000 1.165 219 Y HN 0.886 nan 8.280 nan 0.000 0.452 220 D N 4.255 124.462 120.400 -0.322 0.000 2.373 220 D HA 0.255 4.895 4.640 0.000 0.000 0.227 220 D C -0.875 175.254 176.300 -0.285 0.000 1.091 220 D CA -0.103 53.782 54.000 -0.192 0.000 0.840 220 D CB 1.130 41.860 40.800 -0.116 0.000 1.060 220 D HN 0.468 nan 8.370 nan 0.000 0.502 221 T N 3.944 118.510 114.554 0.020 0.000 2.794 221 T HA 0.152 4.502 4.350 0.000 0.000 0.296 221 T C 0.385 175.175 174.700 0.150 0.000 0.949 221 T CA -0.546 61.661 62.100 0.178 0.000 1.101 221 T CB 0.685 69.888 68.868 0.559 0.000 0.905 221 T HN 0.323 nan 8.240 nan 0.000 0.516 222 R N 2.580 123.129 120.500 0.082 0.000 2.446 222 R HA 0.064 4.404 4.340 0.000 0.000 0.325 222 R C 0.180 176.582 176.300 0.170 0.000 0.997 222 R CA -0.138 56.002 56.100 0.067 0.000 1.010 222 R CB -0.741 29.539 30.300 -0.033 0.000 0.946 222 R HN 0.926 nan 8.270 nan 0.000 0.422 223 C N 6.472 125.897 119.300 0.207 0.000 3.112 223 C HA -0.194 4.266 4.460 0.000 0.000 0.265 223 C C 1.259 176.458 174.990 0.349 0.000 1.283 223 C CA 0.203 59.392 59.018 0.285 0.000 2.378 223 C CB -2.340 25.606 27.740 0.345 0.000 1.500 223 C HN 1.057 nan 8.230 nan 0.000 0.483 224 F N 1.804 121.868 119.950 0.191 0.000 2.091 224 F HA -0.111 4.416 4.527 0.000 0.000 0.299 224 F C 1.855 177.769 175.800 0.190 0.000 1.103 224 F CA 2.420 60.535 58.000 0.192 0.000 1.228 224 F CB -0.086 39.015 39.000 0.168 0.000 0.984 224 F HN 0.580 nan 8.300 nan 0.000 0.477 225 D N -0.380 120.247 120.400 0.379 0.000 2.158 225 D HA -0.169 4.471 4.640 0.000 0.000 0.197 225 D C 2.360 178.732 176.300 0.119 0.000 0.995 225 D CA 1.672 55.826 54.000 0.257 0.000 0.846 225 D CB -0.368 40.591 40.800 0.265 0.000 0.941 225 D HN 0.256 nan 8.370 nan 0.000 0.456 226 S N -0.805 114.984 115.700 0.148 0.000 2.496 226 S HA -0.061 4.409 4.470 0.000 0.000 0.224 226 S C 1.958 176.541 174.600 -0.028 0.000 0.996 226 S CA 1.053 59.267 58.200 0.024 0.000 0.927 226 S CB 0.069 63.252 63.200 -0.028 0.000 0.774 226 S HN 0.489 nan 8.310 nan 0.000 0.524 227 T N -0.561 114.034 114.554 0.068 0.000 3.067 227 T HA 0.142 4.492 4.350 0.000 0.000 0.257 227 T C 0.645 175.281 174.700 -0.106 0.000 1.105 227 T CA -0.003 62.131 62.100 0.056 0.000 1.104 227 T CB -0.419 68.448 68.868 -0.001 0.000 0.925 227 T HN 0.035 nan 8.240 nan 0.000 0.498 228 V N 4.396 124.199 119.914 -0.185 0.000 2.450 228 V HA 0.240 4.360 4.120 0.000 0.000 0.281 228 V C 1.243 177.288 176.094 -0.082 0.000 1.019 228 V CA -0.130 62.081 62.300 -0.149 0.000 1.062 228 V CB -0.457 31.310 31.823 -0.094 0.000 0.979 228 V HN 0.719 nan 8.190 nan 0.000 0.477 229 T N 1.318 115.837 114.554 -0.058 0.000 2.816 229 T HA 0.284 4.634 4.350 0.000 0.000 0.282 229 T C 0.999 175.681 174.700 -0.030 0.000 0.993 229 T CA -0.553 61.520 62.100 -0.045 0.000 0.994 229 T CB 1.164 70.012 68.868 -0.034 0.000 1.025 229 T HN 0.667 nan 8.240 nan 0.000 0.529 230 E N 0.291 120.474 120.200 -0.028 0.000 2.153 230 E HA -0.184 4.166 4.350 0.000 0.000 0.194 230 E C 2.121 178.722 176.600 0.002 0.000 0.988 230 E CA 0.772 57.166 56.400 -0.009 0.000 0.811 230 E CB -0.135 29.559 29.700 -0.010 0.000 0.746 230 E HN 0.679 nan 8.360 nan 0.000 0.466 231 N N 1.061 119.757 118.700 -0.005 0.000 2.142 231 N HA -0.176 4.564 4.740 0.000 0.000 0.186 231 N C 1.238 176.758 175.510 0.016 0.000 1.023 231 N CA 1.121 54.172 53.050 0.002 0.000 0.852 231 N CB 0.072 38.552 38.487 -0.011 0.000 0.998 231 N HN 0.076 nan 8.380 nan 0.000 0.424 232 D N 1.035 121.444 120.400 0.014 0.000 2.133 232 D HA -0.137 4.503 4.640 0.000 0.000 0.195 232 D C 2.001 178.314 176.300 0.022 0.000 0.997 232 D CA 0.885 54.905 54.000 0.034 0.000 0.840 232 D CB -0.228 40.586 40.800 0.023 0.000 0.947 232 D HN 0.432 nan 8.370 nan 0.000 0.452 233 I N 0.456 121.040 120.570 0.022 0.000 2.439 233 I HA -0.145 4.025 4.170 0.000 0.000 0.251 233 I C 2.410 178.542 176.117 0.025 0.000 1.139 233 I CA 0.640 61.961 61.300 0.034 0.000 1.438 233 I CB -0.039 38.004 38.000 0.071 0.000 1.085 233 I HN -0.101 nan 8.210 nan 0.000 0.427 234 R N 0.176 120.689 120.500 0.022 0.000 2.090 234 R HA -0.062 4.278 4.340 0.000 0.000 0.228 234 R C 2.324 178.612 176.300 -0.019 0.000 1.110 234 R CA 0.960 57.068 56.100 0.013 0.000 0.973 234 R CB -0.419 29.891 30.300 0.016 0.000 0.869 234 R HN 0.202 nan 8.270 nan 0.000 0.440 235 V N 1.724 121.628 119.914 -0.016 0.000 2.295 235 V HA -0.250 3.870 4.120 0.000 0.000 0.246 235 V C 1.995 178.013 176.094 -0.127 0.000 1.049 235 V CA 1.880 64.159 62.300 -0.035 0.000 1.024 235 V CB -0.464 31.375 31.823 0.027 0.000 0.648 235 V HN 0.350 nan 8.190 nan 0.000 0.447 236 E N -0.224 119.872 120.200 -0.174 0.000 2.070 236 E HA -0.281 4.069 4.350 0.000 0.000 0.197 236 E C 2.361 178.562 176.600 -0.665 0.000 1.004 236 E CA 1.437 57.587 56.400 -0.418 0.000 0.805 236 E CB -0.258 29.221 29.700 -0.369 0.000 0.744 236 E HN 0.559 nan 8.360 nan 0.000 0.451 237 E N 0.805 120.808 120.200 -0.328 0.000 2.118 237 E HA -0.198 4.152 4.350 0.000 0.000 0.195 237 E C 2.086 178.634 176.600 -0.087 0.000 0.992 237 E CA 1.631 57.958 56.400 -0.122 0.000 0.804 237 E CB -0.011 29.726 29.700 0.062 0.000 0.741 237 E HN 0.260 nan 8.360 nan 0.000 0.458 238 S N -0.203 115.438 115.700 -0.098 0.000 2.453 238 S HA -0.026 4.444 4.470 0.000 0.000 0.231 238 S C 2.140 176.699 174.600 -0.068 0.000 1.005 238 S CA 0.498 58.667 58.200 -0.051 0.000 0.949 238 S CB -0.359 62.818 63.200 -0.039 0.000 0.774 238 S HN 0.262 nan 8.310 nan 0.000 0.510 239 I N -0.013 120.462 120.570 -0.158 0.000 2.333 239 I HA -0.081 4.089 4.170 0.000 0.000 0.246 239 I C 2.179 178.282 176.117 -0.023 0.000 1.106 239 I CA 1.033 62.254 61.300 -0.132 0.000 1.411 239 I CB -0.463 37.411 38.000 -0.210 0.000 1.082 239 I HN 0.202 nan 8.210 nan 0.000 0.420 240 Y N 1.330 121.627 120.300 -0.005 0.000 2.165 240 Y HA -0.255 4.295 4.550 0.000 0.000 0.286 240 Y C 2.721 178.624 175.900 0.005 0.000 1.155 240 Y CA 0.776 58.876 58.100 -0.000 0.000 1.164 240 Y CB -1.119 37.353 38.460 0.021 0.000 0.978 240 Y HN 0.236 nan 8.280 nan 0.000 0.513 241 Q N -1.099 118.795 119.800 0.157 0.000 2.291 241 Q HA -0.154 4.186 4.340 0.000 0.000 0.206 241 Q C 2.377 178.412 176.000 0.059 0.000 0.976 241 Q CA 1.140 56.999 55.803 0.093 0.000 0.875 241 Q CB -0.962 27.813 28.738 0.061 0.000 0.927 241 Q HN 0.520 nan 8.270 nan 0.000 0.450 242 C N 0.170 119.499 119.300 0.047 0.000 2.437 242 C HA -0.048 4.412 4.460 0.000 0.000 0.283 242 C C 1.509 176.517 174.990 0.030 0.000 1.424 242 C CA -0.731 58.303 59.018 0.027 0.000 1.782 242 C CB -0.871 26.875 27.740 0.010 0.000 1.833 242 C HN 0.389 nan 8.230 nan 0.000 0.532 243 C N 1.801 121.128 119.300 0.046 0.000 2.657 243 C HA 0.164 4.624 4.460 0.000 0.000 0.404 243 C C 0.556 175.565 174.990 0.032 0.000 1.291 243 C CA -0.362 58.677 59.018 0.035 0.000 2.218 243 C CB -0.182 27.583 27.740 0.041 0.000 2.687 243 C HN 0.495 nan 8.230 nan 0.000 0.634 244 D N 1.986 122.399 120.400 0.023 0.000 2.342 244 D HA 0.376 5.016 4.640 0.000 0.000 0.260 244 D C -0.584 175.733 176.300 0.029 0.000 1.278 244 D CA 0.445 54.459 54.000 0.023 0.000 0.910 244 D CB -0.053 40.757 40.800 0.017 0.000 1.079 244 D HN 0.384 nan 8.370 nan 0.000 0.496 245 L N 2.246 123.490 121.223 0.036 0.000 2.354 245 L HA 0.653 4.993 4.340 0.000 0.000 0.264 245 L C 0.443 177.342 176.870 0.049 0.000 1.008 245 L CA -1.507 53.361 54.840 0.046 0.000 0.819 245 L CB 1.837 43.929 42.059 0.055 0.000 1.339 245 L HN 0.331 nan 8.230 nan 0.000 0.420 246 A N 2.282 125.138 122.820 0.060 0.000 2.483 246 A HA 0.305 4.625 4.320 0.000 0.000 0.238 246 A C -1.769 175.860 177.584 0.074 0.000 1.070 246 A CA -0.784 51.293 52.037 0.067 0.000 0.770 246 A CB -0.165 18.884 19.000 0.082 0.000 1.008 246 A HN 0.634 nan 8.150 nan 0.000 0.497 247 P HA -0.177 nan 4.420 nan 0.000 0.216 247 P C 1.060 178.395 177.300 0.059 0.000 1.153 247 P CA 1.607 64.738 63.100 0.051 0.000 0.858 247 P CB 0.162 31.887 31.700 0.041 0.000 0.789 248 E N -0.944 119.319 120.200 0.105 0.000 2.204 248 E HA -0.088 4.262 4.350 0.000 0.000 0.194 248 E C 1.997 178.686 176.600 0.150 0.000 0.989 248 E CA 0.845 57.329 56.400 0.140 0.000 0.824 248 E CB -0.328 29.559 29.700 0.311 0.000 0.756 248 E HN 0.167 nan 8.360 nan 0.000 0.477 249 A N 1.512 124.445 122.820 0.189 0.000 1.873 249 A HA -0.161 4.159 4.320 0.000 0.000 0.215 249 A C 2.047 179.676 177.584 0.076 0.000 1.186 249 A CA 0.985 53.133 52.037 0.185 0.000 0.616 249 A CB -0.294 18.802 19.000 0.161 0.000 0.823 249 A HN 0.074 nan 8.150 nan 0.000 0.442 250 R N -0.965 119.569 120.500 0.055 0.000 2.091 250 R HA -0.213 4.127 4.340 0.000 0.000 0.238 250 R C 2.500 178.796 176.300 -0.006 0.000 1.136 250 R CA 1.809 57.929 56.100 0.034 0.000 0.959 250 R CB -0.313 30.005 30.300 0.031 0.000 0.856 250 R HN 0.638 nan 8.270 nan 0.000 0.437 251 Q N 0.695 120.469 119.800 -0.044 0.000 2.046 251 Q HA -0.069 4.271 4.340 0.000 0.000 0.200 251 Q C 1.945 177.840 176.000 -0.174 0.000 0.975 251 Q CA 2.039 57.781 55.803 -0.102 0.000 0.836 251 Q CB -0.263 28.401 28.738 -0.124 0.000 0.896 251 Q HN 0.332 nan 8.270 nan 0.000 0.428 252 A N 0.090 122.751 122.820 -0.266 0.000 1.969 252 A HA -0.098 4.222 4.320 0.000 0.000 0.218 252 A C 2.133 179.621 177.584 -0.159 0.000 1.169 252 A CA 1.347 53.154 52.037 -0.383 0.000 0.635 252 A CB -0.677 17.901 19.000 -0.704 0.000 0.810 252 A HN 0.487 nan 8.150 nan 0.000 0.445 253 I N -0.685 119.860 120.570 -0.042 0.000 2.315 253 I HA -0.240 3.930 4.170 0.000 0.000 0.248 253 I C 2.501 178.644 176.117 0.043 0.000 1.117 253 I CA 1.838 63.169 61.300 0.052 0.000 1.404 253 I CB -0.183 37.882 38.000 0.108 0.000 1.071 253 I HN 0.375 nan 8.210 nan 0.000 0.419 254 K N 0.986 121.386 120.400 0.001 0.000 2.025 254 K HA -0.120 4.200 4.320 0.000 0.000 0.207 254 K C 2.162 178.732 176.600 -0.049 0.000 1.049 254 K CA 1.806 58.090 56.287 -0.005 0.000 0.933 254 K CB -0.075 32.413 32.500 -0.018 0.000 0.714 254 K HN 0.049 nan 8.250 nan 0.000 0.438 255 S N 0.730 116.369 115.700 -0.101 0.000 2.368 255 S HA -0.030 4.440 4.470 0.000 0.000 0.224 255 S C 1.775 176.271 174.600 -0.173 0.000 1.029 255 S CA 1.157 59.278 58.200 -0.131 0.000 0.988 255 S CB -0.263 62.836 63.200 -0.168 0.000 0.838 255 S HN 0.246 nan 8.310 nan 0.000 0.462 256 L N 1.007 122.098 121.223 -0.219 0.000 2.083 256 L HA -0.139 4.201 4.340 0.000 0.000 0.209 256 L C 2.664 179.200 176.870 -0.556 0.000 1.083 256 L CA 1.158 55.746 54.840 -0.419 0.000 0.752 256 L CB -1.034 40.779 42.059 -0.409 0.000 0.899 256 L HN 0.307 nan 8.230 nan 0.000 0.433 257 T N -0.968 113.465 114.554 -0.202 0.000 2.674 257 T HA -0.151 4.199 4.350 0.000 0.000 0.265 257 T C 1.759 176.446 174.700 -0.020 0.000 1.039 257 T CA 1.218 63.331 62.100 0.023 0.000 1.150 257 T CB -0.080 68.876 68.868 0.148 0.000 0.864 257 T HN 0.288 nan 8.240 nan 0.000 0.427 258 E N 0.843 121.016 120.200 -0.046 0.000 2.216 258 E HA 0.038 4.388 4.350 0.000 0.000 0.192 258 E C 2.227 178.799 176.600 -0.047 0.000 0.988 258 E CA 0.660 57.043 56.400 -0.029 0.000 0.834 258 E CB -0.022 29.661 29.700 -0.028 0.000 0.772 258 E HN 0.469 nan 8.360 nan 0.000 0.479 259 R N -0.561 119.881 120.500 -0.097 0.000 2.282 259 R HA 0.149 4.489 4.340 0.000 0.000 0.195 259 R C 1.674 177.905 176.300 -0.114 0.000 0.909 259 R CA 0.176 56.221 56.100 -0.091 0.000 1.039 259 R CB 0.403 30.642 30.300 -0.101 0.000 1.015 259 R HN 0.013 nan 8.270 nan 0.000 0.513 260 L N -2.107 119.009 121.223 -0.179 0.000 2.691 260 L HA 0.208 4.549 4.340 0.000 0.000 0.185 260 L C 1.218 178.075 176.870 -0.023 0.000 1.081 260 L CA 0.822 55.561 54.840 -0.168 0.000 0.865 260 L CB -0.245 41.626 42.059 -0.313 0.000 1.370 260 L HN -0.139 nan 8.230 nan 0.000 0.488 261 Y N 1.483 121.790 120.300 0.013 0.000 2.200 261 Y HA -0.011 4.539 4.550 0.000 0.000 0.290 261 Y C 2.525 178.425 175.900 -0.001 0.000 1.137 261 Y CA 1.431 59.547 58.100 0.026 0.000 1.163 261 Y CB -1.013 37.485 38.460 0.063 0.000 0.988 261 Y HN 0.360 nan 8.280 nan 0.000 0.518 262 I N -2.583 118.068 120.570 0.136 0.000 2.830 262 I HA 0.353 4.523 4.170 0.000 0.000 0.263 262 I C 1.037 177.153 176.117 -0.000 0.000 1.230 262 I CA 1.046 62.383 61.300 0.062 0.000 1.480 262 I CB -0.381 37.647 38.000 0.045 0.000 1.095 262 I HN 0.129 nan 8.210 nan 0.000 0.455 263 G N -0.277 108.502 108.800 -0.034 0.000 2.356 263 G HA2 0.452 4.412 3.960 0.000 0.000 0.288 263 G HA3 0.452 4.412 3.960 0.000 0.000 0.288 263 G C -0.724 174.011 174.900 -0.275 0.000 1.302 263 G CA -0.271 44.737 45.100 -0.153 0.000 0.887 263 G HN 0.847 nan 8.290 nan 0.000 0.521 264 G N -1.118 107.239 108.800 -0.738 0.000 2.356 264 G HA2 0.662 4.622 3.960 0.000 0.000 0.300 264 G HA3 0.662 4.622 3.960 0.000 0.000 0.300 264 G C -3.488 170.679 174.900 -1.221 0.000 1.331 264 G CA 0.215 44.772 45.100 -0.905 0.000 0.905 264 G HN 0.895 nan 8.290 nan 0.000 0.587 265 P HA 0.475 nan 4.420 nan 0.000 0.275 265 P C -0.520 176.655 177.300 -0.207 0.000 1.228 265 P CA -0.173 62.746 63.100 -0.302 0.000 0.786 265 P CB 1.147 32.825 31.700 -0.037 0.000 0.927 266 L N 2.559 123.712 121.223 -0.118 0.000 2.287 266 L HA 0.422 4.762 4.340 0.000 0.000 0.287 266 L C 0.492 177.358 176.870 -0.008 0.000 1.022 266 L CA -0.203 54.605 54.840 -0.055 0.000 0.814 266 L CB 1.398 43.461 42.059 0.006 0.000 1.217 266 L HN 0.260 nan 8.230 nan 0.000 0.420 267 T N 1.637 116.168 114.554 -0.039 0.000 2.797 267 T HA 0.329 4.679 4.350 0.000 0.000 0.279 267 T C -0.096 174.589 174.700 -0.025 0.000 0.991 267 T CA -0.824 61.260 62.100 -0.026 0.000 0.979 267 T CB 1.360 70.197 68.868 -0.053 0.000 0.943 267 T HN 0.631 nan 8.240 nan 0.000 0.444 268 N N 0.884 119.589 118.700 0.009 0.000 2.364 268 N HA 0.174 4.915 4.740 0.000 0.000 0.264 268 N C 1.563 177.072 175.510 -0.000 0.000 1.263 268 N CA -0.416 52.644 53.050 0.016 0.000 0.959 268 N CB 0.137 38.646 38.487 0.037 0.000 1.204 268 N HN 0.377 nan 8.380 nan 0.000 0.550 269 S N -0.386 115.323 115.700 0.015 0.000 2.380 269 S HA -0.205 4.265 4.470 0.000 0.000 0.229 269 S C 1.264 175.866 174.600 0.003 0.000 1.043 269 S CA 1.442 59.652 58.200 0.016 0.000 1.038 269 S CB -0.346 62.872 63.200 0.031 0.000 0.872 269 S HN 0.617 nan 8.310 nan 0.000 0.456 270 K N -0.444 119.958 120.400 0.005 0.000 2.365 270 K HA 0.182 4.502 4.320 0.000 0.000 0.197 270 K C 1.372 177.967 176.600 -0.007 0.000 1.042 270 K CA 0.566 56.853 56.287 0.000 0.000 0.987 270 K CB -0.028 32.476 32.500 0.006 0.000 0.779 270 K HN 0.569 nan 8.250 nan 0.000 0.484 271 G N 1.139 109.933 108.800 -0.010 0.000 2.192 271 G HA2 -0.219 3.741 3.960 0.000 0.000 0.193 271 G HA3 -0.219 3.741 3.960 0.000 0.000 0.193 271 G C -0.327 174.571 174.900 -0.004 0.000 0.999 271 G CA -0.494 44.595 45.100 -0.017 0.000 0.659 271 G HN 0.276 nan 8.290 nan 0.000 0.503 272 Q N 0.523 120.328 119.800 0.008 0.000 2.340 272 Q HA 0.331 4.671 4.340 0.000 0.000 0.249 272 Q C 0.336 176.355 176.000 0.031 0.000 0.957 272 Q CA -0.391 55.425 55.803 0.021 0.000 0.882 272 Q CB 0.850 29.606 28.738 0.029 0.000 1.235 272 Q HN 0.366 nan 8.270 nan 0.000 0.439 273 N N 1.137 119.861 118.700 0.040 0.000 2.470 273 N HA 0.020 4.760 4.740 0.000 0.000 0.268 273 N C -0.376 175.188 175.510 0.089 0.000 1.136 273 N CA -0.341 52.741 53.050 0.054 0.000 0.961 273 N CB 0.669 39.188 38.487 0.053 0.000 1.067 273 N HN 0.613 nan 8.380 nan 0.000 0.468 274 C N 2.591 121.962 119.300 0.120 0.000 2.791 274 C HA 0.446 4.906 4.460 0.000 0.000 0.288 274 C C 1.187 176.338 174.990 0.268 0.000 1.271 274 C CA 0.305 59.455 59.018 0.220 0.000 1.726 274 C CB -0.725 27.185 27.740 0.283 0.000 2.145 274 C HN 0.929 nan 8.230 nan 0.000 0.572 275 G N -1.308 107.566 108.800 0.123 0.000 2.368 275 G HA2 0.340 4.300 3.960 0.000 0.000 0.269 275 G HA3 0.340 4.300 3.960 0.000 0.000 0.269 275 G C -2.258 172.636 174.900 -0.009 0.000 1.291 275 G CA -0.416 44.696 45.100 0.020 0.000 0.903 275 G HN 0.021 nan 8.290 nan 0.000 0.483 276 Y N 0.608 120.762 120.300 -0.244 0.000 2.457 276 Y HA 0.757 5.307 4.550 0.000 0.000 0.343 276 Y C 0.071 175.779 175.900 -0.320 0.000 0.994 276 Y CA -0.884 57.089 58.100 -0.213 0.000 1.031 276 Y CB 2.011 40.373 38.460 -0.164 0.000 1.246 276 Y HN 0.680 nan 8.280 nan 0.000 0.449 277 R N 4.836 125.027 120.500 -0.515 0.000 2.460 277 R HA 0.539 4.880 4.340 0.000 0.000 0.303 277 R C -0.740 175.333 176.300 -0.378 0.000 0.968 277 R CA -0.580 55.173 56.100 -0.578 0.000 0.889 277 R CB 0.897 30.903 30.300 -0.490 0.000 1.123 277 R HN 0.908 nan 8.270 nan 0.000 0.455 278 R N 3.371 123.637 120.500 -0.390 0.000 2.690 278 R HA 0.216 4.556 4.340 0.000 0.000 0.419 278 R C -0.616 175.547 176.300 -0.229 0.000 1.090 278 R CA -0.308 55.673 56.100 -0.197 0.000 1.064 278 R CB 0.429 30.664 30.300 -0.109 0.000 1.391 278 R HN 0.792 nan 8.270 nan 0.000 0.586 279 C N -2.148 116.974 119.300 -0.298 0.000 3.321 279 C HA 0.608 5.068 4.460 0.000 0.000 0.363 279 C C -0.315 174.613 174.990 -0.103 0.000 1.705 279 C CA -1.479 57.421 59.018 -0.197 0.000 1.298 279 C CB 1.152 28.744 27.740 -0.246 0.000 2.086 279 C HN 0.344 nan 8.230 nan 0.000 0.438 280 R N 1.129 121.618 120.500 -0.018 0.000 2.570 280 R HA 0.507 4.847 4.340 0.000 0.000 0.277 280 R C 0.065 176.417 176.300 0.088 0.000 1.039 280 R CA 0.991 57.125 56.100 0.058 0.000 1.065 280 R CB 0.042 30.411 30.300 0.116 0.000 0.964 280 R HN 1.184 nan 8.270 nan 0.000 0.428 281 A N 3.036 125.919 122.820 0.106 0.000 2.327 281 A HA 0.278 4.598 4.320 0.000 0.000 0.283 281 A C 0.926 178.604 177.584 0.158 0.000 1.127 281 A CA -0.003 52.120 52.037 0.143 0.000 0.810 281 A CB 0.756 19.845 19.000 0.149 0.000 1.066 281 A HN 1.005 nan 8.150 nan 0.000 0.492 282 S N 1.801 117.610 115.700 0.181 0.000 2.436 282 S HA 0.063 4.533 4.470 0.000 0.000 0.228 282 S C 1.118 175.811 174.600 0.154 0.000 1.014 282 S CA 0.823 59.123 58.200 0.166 0.000 0.950 282 S CB -0.055 63.249 63.200 0.172 0.000 0.784 282 S HN 1.294 nan 8.310 nan 0.000 0.504 283 G N 2.166 111.082 108.800 0.193 0.000 4.294 283 G HA2 0.530 4.490 3.960 0.000 0.000 0.301 283 G HA3 0.530 4.490 3.960 0.000 0.000 0.301 283 G C -0.148 174.879 174.900 0.212 0.000 1.321 283 G CA -0.103 45.116 45.100 0.199 0.000 1.190 283 G HN 0.607 nan 8.290 nan 0.000 0.600 284 V N -2.265 117.752 119.914 0.171 0.000 3.126 284 V HA 0.600 4.720 4.120 0.000 0.000 0.314 284 V C 1.275 177.436 176.094 0.112 0.000 1.138 284 V CA -0.963 61.450 62.300 0.189 0.000 1.034 284 V CB 1.700 33.687 31.823 0.274 0.000 1.075 284 V HN 0.092 nan 8.190 nan 0.000 0.442 285 L N 1.963 123.267 121.223 0.134 0.000 2.141 285 L HA 0.005 4.345 4.340 0.000 0.000 0.209 285 L C 2.244 179.123 176.870 0.015 0.000 1.094 285 L CA 2.988 57.893 54.840 0.108 0.000 0.763 285 L CB -0.584 41.570 42.059 0.158 0.000 0.908 285 L HN 1.084 nan 8.230 nan 0.000 0.437 286 T N -5.873 108.605 114.554 -0.126 0.000 3.129 286 T HA 0.014 4.364 4.350 0.000 0.000 0.251 286 T C 1.547 176.169 174.700 -0.130 0.000 1.117 286 T CA 0.693 62.669 62.100 -0.206 0.000 1.034 286 T CB -0.675 67.909 68.868 -0.474 0.000 0.968 286 T HN 0.255 nan 8.240 nan 0.000 0.526 287 T N 1.951 116.462 114.554 -0.071 0.000 2.684 287 T HA -0.143 4.207 4.350 0.000 0.000 0.267 287 T C 2.211 176.928 174.700 0.030 0.000 1.036 287 T CA 1.766 63.867 62.100 0.003 0.000 1.148 287 T CB -0.591 68.307 68.868 0.050 0.000 0.863 287 T HN 0.553 nan 8.240 nan 0.000 0.436 288 S N -0.296 115.397 115.700 -0.012 0.000 2.355 288 S HA -0.129 4.341 4.470 0.000 0.000 0.222 288 S C 2.428 177.044 174.600 0.028 0.000 1.031 288 S CA 1.309 59.491 58.200 -0.031 0.000 0.993 288 S CB -0.877 62.194 63.200 -0.216 0.000 0.859 288 S HN 0.669 nan 8.310 nan 0.000 0.453 289 C N 1.216 120.512 119.300 -0.007 0.000 2.446 289 C HA 0.174 4.634 4.460 0.000 0.000 0.277 289 C C 2.821 177.872 174.990 0.101 0.000 1.275 289 C CA 0.968 60.008 59.018 0.037 0.000 1.727 289 C CB -1.754 25.977 27.740 -0.015 0.000 2.010 289 C HN 0.704 nan 8.230 nan 0.000 0.486 290 G N 0.505 109.369 108.800 0.106 0.000 2.421 290 G HA2 -0.209 3.751 3.960 0.000 0.000 0.216 290 G HA3 -0.209 3.751 3.960 0.000 0.000 0.216 290 G C 1.525 176.521 174.900 0.161 0.000 1.171 290 G CA 0.988 46.157 45.100 0.114 0.000 0.775 290 G HN 0.576 nan 8.290 nan 0.000 0.543 291 N N 0.291 119.100 118.700 0.183 0.000 2.244 291 N HA -0.061 4.679 4.740 0.000 0.000 0.183 291 N C 2.346 177.942 175.510 0.144 0.000 1.016 291 N CA 1.464 54.664 53.050 0.250 0.000 0.866 291 N CB -0.455 38.122 38.487 0.150 0.000 0.980 291 N HN 0.248 nan 8.380 nan 0.000 0.430 292 T N 1.275 115.916 114.554 0.145 0.000 2.770 292 T HA 0.079 4.429 4.350 0.000 0.000 0.263 292 T C 2.137 176.937 174.700 0.166 0.000 1.039 292 T CA 0.468 62.666 62.100 0.163 0.000 1.142 292 T CB -0.151 68.889 68.868 0.287 0.000 0.868 292 T HN 0.103 nan 8.240 nan 0.000 0.435 293 L N 0.775 122.073 121.223 0.124 0.000 2.046 293 L HA -0.109 4.231 4.340 0.000 0.000 0.208 293 L C 2.883 179.860 176.870 0.178 0.000 1.077 293 L CA 1.195 56.093 54.840 0.096 0.000 0.747 293 L CB -0.915 41.154 42.059 0.017 0.000 0.896 293 L HN 0.276 nan 8.230 nan 0.000 0.432 294 T N -1.590 113.087 114.554 0.206 0.000 2.857 294 T HA -0.200 4.150 4.350 0.000 0.000 0.266 294 T C 1.990 176.900 174.700 0.349 0.000 1.048 294 T CA 1.294 63.546 62.100 0.254 0.000 1.139 294 T CB -0.388 68.654 68.868 0.289 0.000 0.874 294 T HN 0.465 nan 8.240 nan 0.000 0.455 295 C N 0.757 120.300 119.300 0.405 0.000 2.440 295 C HA -0.049 4.411 4.460 0.000 0.000 0.278 295 C C 2.390 177.547 174.990 0.278 0.000 1.295 295 C CA 0.359 59.599 59.018 0.369 0.000 1.738 295 C CB -1.363 26.449 27.740 0.120 0.000 1.987 295 C HN 0.659 nan 8.230 nan 0.000 0.492 296 Y N 0.985 121.356 120.300 0.120 0.000 2.263 296 Y HA -0.027 4.523 4.550 0.000 0.000 0.292 296 Y C 2.113 178.043 175.900 0.050 0.000 1.130 296 Y CA 1.861 60.010 58.100 0.082 0.000 1.179 296 Y CB -0.556 37.939 38.460 0.059 0.000 0.998 296 Y HN 0.313 nan 8.280 nan 0.000 0.532 297 L N 1.212 122.528 121.223 0.156 0.000 2.017 297 L HA -0.180 4.160 4.340 0.000 0.000 0.208 297 L C 2.022 178.824 176.870 -0.113 0.000 1.073 297 L CA 1.991 56.803 54.840 -0.046 0.000 0.745 297 L CB -0.914 41.104 42.059 -0.070 0.000 0.894 297 L HN 0.160 nan 8.230 nan 0.000 0.432 298 K N -0.472 119.939 120.400 0.018 0.000 2.057 298 K HA -0.013 4.307 4.320 0.000 0.000 0.206 298 K C 2.073 178.709 176.600 0.060 0.000 1.050 298 K CA 1.215 57.535 56.287 0.055 0.000 0.935 298 K CB -0.360 32.261 32.500 0.202 0.000 0.715 298 K HN 0.479 nan 8.250 nan 0.000 0.439 299 A N 1.148 123.990 122.820 0.036 0.000 1.898 299 A HA -0.110 4.210 4.320 0.000 0.000 0.216 299 A C 2.219 179.824 177.584 0.035 0.000 1.181 299 A CA 1.591 53.666 52.037 0.063 0.000 0.620 299 A CB -0.450 18.661 19.000 0.185 0.000 0.819 299 A HN 0.143 nan 8.150 nan 0.000 0.442 300 S N 0.010 115.612 115.700 -0.164 0.000 2.368 300 S HA -0.058 4.412 4.470 0.000 0.000 0.225 300 S C 2.297 176.840 174.600 -0.095 0.000 1.030 300 S CA 1.217 59.285 58.200 -0.220 0.000 0.999 300 S CB -0.438 62.462 63.200 -0.500 0.000 0.844 300 S HN 0.784 nan 8.310 nan 0.000 0.459 301 A N 1.544 124.326 122.820 -0.063 0.000 1.898 301 A HA 0.151 4.471 4.320 0.000 0.000 0.216 301 A C 2.357 179.989 177.584 0.080 0.000 1.181 301 A CA 1.631 53.692 52.037 0.041 0.000 0.620 301 A CB -1.072 17.973 19.000 0.075 0.000 0.819 301 A HN 0.511 nan 8.150 nan 0.000 0.442 302 A N -1.020 121.841 122.820 0.068 0.000 1.933 302 A HA -0.166 4.154 4.320 0.000 0.000 0.218 302 A C 2.254 179.842 177.584 0.007 0.000 1.175 302 A CA 1.634 53.573 52.037 -0.164 0.000 0.628 302 A CB -1.269 17.227 19.000 -0.840 0.000 0.814 302 A HN 0.597 nan 8.150 nan 0.000 0.444 303 C N -0.908 118.500 119.300 0.180 0.000 2.425 303 C HA -0.090 4.370 4.460 0.000 0.000 0.277 303 C C 2.881 177.886 174.990 0.025 0.000 1.280 303 C CA 1.128 60.286 59.018 0.233 0.000 1.744 303 C CB -1.309 26.528 27.740 0.161 0.000 1.989 303 C HN 0.604 nan 8.230 nan 0.000 0.491 304 R N 0.955 121.375 120.500 -0.133 0.000 2.073 304 R HA -0.039 4.301 4.340 0.000 0.000 0.229 304 R C 2.464 178.503 176.300 -0.435 0.000 1.120 304 R CA 1.450 57.334 56.100 -0.360 0.000 0.967 304 R CB -0.536 29.381 30.300 -0.638 0.000 0.862 304 R HN 0.515 nan 8.270 nan 0.000 0.436 305 A N 1.501 124.108 122.820 -0.356 0.000 1.908 305 A HA -0.141 4.179 4.320 0.000 0.000 0.218 305 A C 2.301 179.880 177.584 -0.010 0.000 1.181 305 A CA 1.873 53.867 52.037 -0.071 0.000 0.627 305 A CB -0.606 18.404 19.000 0.017 0.000 0.818 305 A HN 0.401 nan 8.150 nan 0.000 0.445 306 A N -1.678 121.153 122.820 0.019 0.000 2.167 306 A HA 0.174 4.494 4.320 0.000 0.000 0.214 306 A C 0.853 178.462 177.584 0.043 0.000 1.151 306 A CA 0.887 52.964 52.037 0.067 0.000 0.735 306 A CB -0.192 18.916 19.000 0.180 0.000 0.802 306 A HN 0.378 nan 8.150 nan 0.000 0.467 307 K N -0.934 119.473 120.400 0.011 0.000 3.257 307 K HA -0.154 4.166 4.320 0.000 0.000 0.270 307 K C -0.879 175.733 176.600 0.020 0.000 0.984 307 K CA 0.344 56.635 56.287 0.006 0.000 0.739 307 K CB -2.044 30.465 32.500 0.014 0.000 1.351 307 K HN 0.296 nan 8.250 nan 0.000 0.463 308 L N 1.790 123.033 121.223 0.034 0.000 2.319 308 L HA 0.120 4.460 4.340 0.000 0.000 0.280 308 L C 1.118 177.994 176.870 0.010 0.000 1.099 308 L CA 0.346 55.206 54.840 0.033 0.000 0.828 308 L CB 0.876 42.972 42.059 0.062 0.000 1.150 308 L HN 0.112 nan 8.230 nan 0.000 0.442 309 Q N 2.655 122.454 119.800 -0.001 0.000 2.297 309 Q HA 0.028 4.368 4.340 0.000 0.000 0.267 309 Q C 0.089 176.072 176.000 -0.027 0.000 1.006 309 Q CA -0.035 55.760 55.803 -0.014 0.000 0.896 309 Q CB 0.291 29.018 28.738 -0.018 0.000 1.186 309 Q HN 0.529 nan 8.270 nan 0.000 0.392 310 D N 1.085 121.471 120.400 -0.025 0.000 2.737 310 D HA -0.186 4.454 4.640 0.000 0.000 0.238 310 D C -1.121 175.153 176.300 -0.042 0.000 1.157 310 D CA 0.194 54.174 54.000 -0.033 0.000 0.694 310 D CB -0.978 39.793 40.800 -0.048 0.000 1.021 310 D HN 0.537 nan 8.370 nan 0.000 0.420 311 C N 0.996 120.280 119.300 -0.027 0.000 2.644 311 C HA 0.547 5.007 4.460 0.000 0.000 0.417 311 C C 0.830 175.808 174.990 -0.020 0.000 1.304 311 C CA 0.053 59.051 59.018 -0.034 0.000 2.035 311 C CB 0.595 28.326 27.740 -0.016 0.000 2.673 311 C HN 0.507 nan 8.230 nan 0.000 0.602 312 T N 5.952 120.483 114.554 -0.037 0.000 2.840 312 T HA 0.450 4.800 4.350 0.000 0.000 0.287 312 T C -0.380 174.336 174.700 0.027 0.000 0.991 312 T CA -0.245 61.867 62.100 0.020 0.000 0.964 312 T CB 0.907 69.759 68.868 -0.026 0.000 0.954 312 T HN 0.537 nan 8.240 nan 0.000 0.438 313 M N 3.119 122.781 119.600 0.104 0.000 2.478 313 M HA 0.637 5.117 4.480 0.000 0.000 0.327 313 M C -1.131 175.279 176.300 0.183 0.000 1.187 313 M CA -1.097 54.259 55.300 0.093 0.000 1.022 313 M CB 1.747 34.409 32.600 0.104 0.000 1.629 313 M HN 0.327 nan 8.290 nan 0.000 0.461 314 L N 2.714 124.006 121.223 0.116 0.000 2.406 314 L HA 0.649 4.989 4.340 0.000 0.000 0.272 314 L C -1.512 175.364 176.870 0.010 0.000 0.980 314 L CA -0.458 54.437 54.840 0.092 0.000 0.831 314 L CB 1.882 44.009 42.059 0.114 0.000 1.253 314 L HN 0.478 nan 8.230 nan 0.000 0.406 315 V N 4.333 124.233 119.914 -0.024 0.000 2.531 315 V HA 0.603 4.723 4.120 0.000 0.000 0.301 315 V C -0.827 175.110 176.094 -0.262 0.000 1.034 315 V CA -0.639 61.630 62.300 -0.052 0.000 0.865 315 V CB 1.997 33.882 31.823 0.102 0.000 0.995 315 V HN 0.804 nan 8.190 nan 0.000 0.424 316 N N 3.389 121.896 118.700 -0.322 0.000 2.540 316 N HA 0.631 5.371 4.740 0.000 0.000 0.275 316 N C 0.609 176.023 175.510 -0.160 0.000 1.053 316 N CA 0.457 53.148 53.050 -0.598 0.000 0.876 316 N CB 1.875 39.864 38.487 -0.830 0.000 1.284 316 N HN 1.005 nan 8.380 nan 0.000 0.518 317 G N 2.586 111.444 108.800 0.097 0.000 2.685 317 G HA2 -0.430 3.530 3.960 0.000 0.000 0.329 317 G HA3 -0.430 3.530 3.960 0.000 0.000 0.329 317 G C 0.655 175.417 174.900 -0.230 0.000 1.271 317 G CA 1.060 46.180 45.100 0.033 0.000 1.003 317 G HN 0.682 nan 8.290 nan 0.000 0.549 318 D N 1.023 121.204 120.400 -0.365 0.000 2.349 318 D HA 0.073 4.713 4.640 0.000 0.000 0.215 318 D C 0.433 176.577 176.300 -0.261 0.000 1.016 318 D CA 0.793 54.371 54.000 -0.704 0.000 0.870 318 D CB -0.153 40.252 40.800 -0.657 0.000 0.917 318 D HN 0.410 nan 8.370 nan 0.000 0.524 319 D N 0.614 120.933 120.400 -0.135 0.000 2.277 319 D HA 0.315 4.955 4.640 0.000 0.000 0.249 319 D C -0.900 175.380 176.300 -0.033 0.000 1.134 319 D CA -0.466 53.503 54.000 -0.051 0.000 0.863 319 D CB 1.277 42.044 40.800 -0.054 0.000 1.143 319 D HN 0.073 nan 8.370 nan 0.000 0.458 320 L N 4.817 126.066 121.223 0.043 0.000 2.436 320 L HA 0.516 4.856 4.340 0.000 0.000 0.268 320 L C -1.817 175.073 176.870 0.034 0.000 0.974 320 L CA -0.700 54.181 54.840 0.067 0.000 0.826 320 L CB 1.971 44.139 42.059 0.181 0.000 1.291 320 L HN 0.124 nan 8.230 nan 0.000 0.406 321 V N 5.946 125.834 119.914 -0.044 0.000 2.638 321 V HA 0.788 4.908 4.120 0.000 0.000 0.306 321 V C -1.468 174.468 176.094 -0.262 0.000 1.052 321 V CA -0.318 61.892 62.300 -0.149 0.000 0.885 321 V CB 2.245 34.008 31.823 -0.101 0.000 0.999 321 V HN 0.629 nan 8.190 nan 0.000 0.424 322 V N 7.793 127.341 119.914 -0.610 0.000 2.555 322 V HA 0.609 4.729 4.120 0.000 0.000 0.302 322 V C -0.264 175.504 176.094 -0.544 0.000 1.038 322 V CA -0.472 61.430 62.300 -0.663 0.000 0.887 322 V CB 1.796 32.959 31.823 -1.100 0.000 0.991 322 V HN 0.778 nan 8.190 nan 0.000 0.434 323 I N 4.770 125.177 120.570 -0.271 0.000 2.466 323 I HA 0.676 4.846 4.170 0.000 0.000 0.289 323 I C -0.249 175.770 176.117 -0.164 0.000 1.026 323 I CA -0.333 60.870 61.300 -0.162 0.000 1.078 323 I CB 1.799 39.768 38.000 -0.052 0.000 1.249 323 I HN 0.881 nan 8.210 nan 0.000 0.429 324 C N 2.314 121.514 119.300 -0.165 0.000 3.340 324 C HA 0.550 5.010 4.460 0.000 0.000 0.333 324 C C -0.530 174.365 174.990 -0.158 0.000 1.464 324 C CA -0.951 57.987 59.018 -0.132 0.000 1.337 324 C CB 1.817 29.518 27.740 -0.065 0.000 1.740 324 C HN 0.632 nan 8.230 nan 0.000 0.450 325 E N 1.888 122.018 120.200 -0.116 0.000 2.299 325 E HA 0.201 4.551 4.350 0.000 0.000 0.272 325 E C 0.288 176.854 176.600 -0.058 0.000 1.043 325 E CA 0.560 56.896 56.400 -0.106 0.000 0.895 325 E CB 1.337 30.991 29.700 -0.077 0.000 1.011 325 E HN 0.709 nan 8.360 nan 0.000 0.432 326 S N 1.970 117.644 115.700 -0.044 0.000 2.549 326 S HA 0.194 4.664 4.470 0.000 0.000 0.286 326 S C 0.639 175.250 174.600 0.018 0.000 1.314 326 S CA 0.172 58.394 58.200 0.038 0.000 1.062 326 S CB 0.551 63.822 63.200 0.118 0.000 0.865 326 S HN 0.531 nan 8.310 nan 0.000 0.498 327 A N 3.559 126.400 122.820 0.034 0.000 2.465 327 A HA 0.644 4.964 4.320 0.000 0.000 0.255 327 A C 0.899 178.492 177.584 0.015 0.000 1.274 327 A CA 0.267 52.313 52.037 0.016 0.000 0.920 327 A CB -0.769 18.240 19.000 0.015 0.000 1.033 327 A HN 1.864 nan 8.150 nan 0.000 0.516 328 G N -1.349 107.466 108.800 0.025 0.000 2.640 328 G HA2 0.109 4.069 3.960 0.000 0.000 0.686 328 G HA3 0.109 4.069 3.960 0.000 0.000 0.686 328 G C 0.499 175.420 174.900 0.034 0.000 1.229 328 G CA 0.195 45.298 45.100 0.005 0.000 0.796 328 G HN 0.985 nan 8.290 nan 0.000 0.654 329 T N -1.337 113.215 114.554 -0.003 0.000 2.684 329 T HA -0.184 4.166 4.350 0.000 0.000 0.267 329 T C 2.075 176.810 174.700 0.058 0.000 1.036 329 T CA 2.225 64.347 62.100 0.037 0.000 1.148 329 T CB -0.246 68.603 68.868 -0.033 0.000 0.863 329 T HN 0.576 nan 8.240 nan 0.000 0.436 330 Q N 1.186 121.001 119.800 0.025 0.000 2.050 330 Q HA -0.081 4.260 4.340 0.000 0.000 0.202 330 Q C 2.351 178.365 176.000 0.024 0.000 0.980 330 Q CA 1.800 57.616 55.803 0.021 0.000 0.840 330 Q CB -0.385 28.358 28.738 0.009 0.000 0.898 330 Q HN 0.702 nan 8.270 nan 0.000 0.424 331 E N 0.665 120.880 120.200 0.025 0.000 2.152 331 E HA -0.113 4.237 4.350 0.000 0.000 0.192 331 E C 1.585 178.201 176.600 0.026 0.000 0.983 331 E CA 0.863 57.275 56.400 0.021 0.000 0.818 331 E CB -0.009 29.702 29.700 0.018 0.000 0.758 331 E HN 0.282 nan 8.360 nan 0.000 0.467 332 D N 0.503 120.933 120.400 0.050 0.000 2.084 332 D HA -0.105 4.535 4.640 0.000 0.000 0.196 332 D C 1.932 178.235 176.300 0.004 0.000 0.985 332 D CA 1.527 55.555 54.000 0.046 0.000 0.826 332 D CB -0.447 40.430 40.800 0.128 0.000 0.978 332 D HN 0.193 nan 8.370 nan 0.000 0.456 333 A N 1.085 123.920 122.820 0.025 0.000 1.908 333 A HA -0.117 4.203 4.320 0.000 0.000 0.218 333 A C 2.294 179.868 177.584 -0.017 0.000 1.181 333 A CA 2.473 54.510 52.037 -0.000 0.000 0.627 333 A CB -0.731 18.282 19.000 0.022 0.000 0.818 333 A HN 0.251 nan 8.150 nan 0.000 0.445 334 A N -0.958 121.860 122.820 -0.004 0.000 1.930 334 A HA -0.009 4.311 4.320 0.000 0.000 0.217 334 A C 2.424 180.002 177.584 -0.009 0.000 1.175 334 A CA 1.871 53.905 52.037 -0.004 0.000 0.627 334 A CB -0.769 18.233 19.000 0.003 0.000 0.815 334 A HN 0.437 nan 8.150 nan 0.000 0.443 335 S N -0.063 115.629 115.700 -0.013 0.000 2.382 335 S HA -0.067 4.403 4.470 0.000 0.000 0.228 335 S C 1.786 176.363 174.600 -0.039 0.000 1.027 335 S CA 1.210 59.403 58.200 -0.012 0.000 0.991 335 S CB -0.379 62.815 63.200 -0.009 0.000 0.823 335 S HN 0.510 nan 8.310 nan 0.000 0.469 336 L N 0.888 122.036 121.223 -0.126 0.000 2.131 336 L HA -0.094 4.246 4.340 0.000 0.000 0.210 336 L C 2.604 179.450 176.870 -0.041 0.000 1.092 336 L CA 1.225 55.933 54.840 -0.219 0.000 0.759 336 L CB -0.486 41.380 42.059 -0.322 0.000 0.903 336 L HN 0.303 nan 8.230 nan 0.000 0.435 337 R N -0.723 119.766 120.500 -0.019 0.000 2.075 337 R HA -0.100 4.240 4.340 0.000 0.000 0.232 337 R C 2.241 178.552 176.300 0.017 0.000 1.126 337 R CA 1.012 57.117 56.100 0.008 0.000 0.963 337 R CB -0.407 29.892 30.300 -0.003 0.000 0.858 337 R HN 0.161 nan 8.270 nan 0.000 0.435 338 V N 0.945 120.870 119.914 0.018 0.000 2.343 338 V HA -0.255 3.865 4.120 0.000 0.000 0.247 338 V C 1.963 178.063 176.094 0.009 0.000 1.051 338 V CA 1.777 64.083 62.300 0.009 0.000 1.036 338 V CB -0.581 31.253 31.823 0.019 0.000 0.654 338 V HN 0.210 nan 8.190 nan 0.000 0.451 339 F N 1.472 121.362 119.950 -0.101 0.000 2.069 339 F HA -0.253 4.274 4.527 0.000 0.000 0.298 339 F C 2.475 178.190 175.800 -0.142 0.000 1.113 339 F CA 2.432 60.360 58.000 -0.121 0.000 1.214 339 F CB -0.546 38.362 39.000 -0.153 0.000 0.978 339 F HN 0.109 nan 8.300 nan 0.000 0.474 340 T N -0.110 114.504 114.554 0.101 0.000 2.788 340 T HA -0.192 4.158 4.350 0.000 0.000 0.268 340 T C 1.692 176.361 174.700 -0.051 0.000 1.044 340 T CA 1.722 63.875 62.100 0.088 0.000 1.139 340 T CB -0.340 68.660 68.868 0.219 0.000 0.867 340 T HN 0.378 nan 8.240 nan 0.000 0.454 341 E N 0.890 121.046 120.200 -0.073 0.000 2.110 341 E HA -0.062 4.288 4.350 0.000 0.000 0.193 341 E C 2.484 178.947 176.600 -0.228 0.000 0.988 341 E CA 1.017 57.351 56.400 -0.111 0.000 0.804 341 E CB -0.187 29.464 29.700 -0.082 0.000 0.745 341 E HN 0.484 nan 8.360 nan 0.000 0.458 342 A N 0.913 123.539 122.820 -0.323 0.000 1.898 342 A HA -0.161 4.159 4.320 0.000 0.000 0.216 342 A C 2.119 179.242 177.584 -0.768 0.000 1.181 342 A CA 1.104 52.807 52.037 -0.557 0.000 0.620 342 A CB -0.265 18.457 19.000 -0.464 0.000 0.819 342 A HN 0.116 nan 8.150 nan 0.000 0.442 343 M N -0.170 119.103 119.600 -0.546 0.000 2.149 343 M HA -0.115 4.365 4.480 0.000 0.000 0.261 343 M C 2.107 178.319 176.300 -0.147 0.000 1.064 343 M CA 1.958 57.067 55.300 -0.319 0.000 1.102 343 M CB -1.892 30.475 32.600 -0.388 0.000 1.369 343 M HN 0.426 nan 8.290 nan 0.000 0.408 344 T N 0.037 114.506 114.554 -0.143 0.000 2.821 344 T HA -0.062 4.288 4.350 0.000 0.000 0.267 344 T C 1.974 176.610 174.700 -0.107 0.000 1.046 344 T CA 0.897 62.958 62.100 -0.066 0.000 1.139 344 T CB -0.097 68.743 68.868 -0.047 0.000 0.871 344 T HN 0.377 nan 8.240 nan 0.000 0.454 345 R N 0.239 120.601 120.500 -0.231 0.000 2.081 345 R HA -0.063 4.277 4.340 0.000 0.000 0.235 345 R C 1.794 178.029 176.300 -0.108 0.000 1.131 345 R CA 1.233 57.201 56.100 -0.219 0.000 0.960 345 R CB -0.384 29.705 30.300 -0.351 0.000 0.856 345 R HN 0.427 nan 8.270 nan 0.000 0.436 346 Y N 0.278 120.525 120.300 -0.088 0.000 2.578 346 Y HA 0.037 4.587 4.550 0.000 0.000 0.297 346 Y C 1.005 176.861 175.900 -0.074 0.000 1.176 346 Y CA 0.021 58.055 58.100 -0.110 0.000 1.315 346 Y CB -0.291 38.124 38.460 -0.074 0.000 1.031 346 Y HN 0.037 nan 8.280 nan 0.000 0.524 347 S N -0.769 114.975 115.700 0.073 0.000 3.931 347 S HA -0.109 4.361 4.470 0.000 0.000 0.318 347 S C -0.030 174.604 174.600 0.056 0.000 1.098 347 S CA 0.428 58.659 58.200 0.051 0.000 0.900 347 S CB -1.497 61.723 63.200 0.034 0.000 0.886 347 S HN 0.718 nan 8.310 nan 0.000 0.513 348 A N 1.496 124.370 122.820 0.091 0.000 3.355 348 A HA 0.600 4.920 4.320 0.000 0.000 0.290 348 A C -2.336 175.388 177.584 0.232 0.000 0.973 348 A CA -0.849 51.281 52.037 0.156 0.000 0.933 348 A CB 0.796 19.936 19.000 0.232 0.000 1.138 348 A HN 0.434 nan 8.150 nan 0.000 0.490 349 P HA 0.270 nan 4.420 nan 0.000 0.271 349 P C -2.894 174.470 177.300 0.106 0.000 1.218 349 P CA -1.023 62.148 63.100 0.118 0.000 0.780 349 P CB 0.523 32.227 31.700 0.006 0.000 0.901 350 P HA 0.082 nan 4.420 nan 0.000 0.278 350 P C 0.861 178.089 177.300 -0.119 0.000 1.238 350 P CA 0.066 63.048 63.100 -0.196 0.000 0.794 350 P CB 0.800 32.340 31.700 -0.267 0.000 0.955 351 G N 2.282 111.004 108.800 -0.130 0.000 2.605 351 G HA2 -0.044 3.916 3.960 0.000 0.000 0.215 351 G HA3 -0.044 3.916 3.960 0.000 0.000 0.215 351 G C 0.019 174.872 174.900 -0.079 0.000 1.279 351 G CA 0.368 45.420 45.100 -0.079 0.000 0.831 351 G HN 0.474 nan 8.290 nan 0.000 0.560 352 D N 1.776 122.125 120.400 -0.086 0.000 2.210 352 D HA 0.332 4.972 4.640 0.000 0.000 0.249 352 D C -2.233 174.018 176.300 -0.083 0.000 1.078 352 D CA -1.062 52.898 54.000 -0.067 0.000 0.875 352 D CB 1.658 42.428 40.800 -0.050 0.000 1.175 352 D HN 0.078 nan 8.370 nan 0.000 0.440 353 P HA 0.144 nan 4.420 nan 0.000 0.271 353 P C -2.394 174.894 177.300 -0.020 0.000 1.220 353 P CA -0.999 62.084 63.100 -0.029 0.000 0.768 353 P CB -0.169 31.525 31.700 -0.011 0.000 0.848 354 P HA 0.093 nan 4.420 nan 0.000 0.271 354 P C -0.742 176.537 177.300 -0.036 0.000 1.216 354 P CA 0.140 63.252 63.100 0.019 0.000 0.776 354 P CB 0.621 32.377 31.700 0.094 0.000 0.881 355 Q N 2.137 121.928 119.800 -0.014 0.000 2.356 355 Q HA 0.637 4.977 4.340 0.000 0.000 0.270 355 Q C -2.888 173.099 176.000 -0.021 0.000 1.058 355 Q CA -2.590 53.197 55.803 -0.026 0.000 0.802 355 Q CB 1.398 30.137 28.738 0.001 0.000 1.303 355 Q HN 0.204 nan 8.270 nan 0.000 0.444 356 P HA 0.039 nan 4.420 nan 0.000 0.266 356 P C -0.862 176.319 177.300 -0.199 0.000 1.195 356 P CA 0.195 63.213 63.100 -0.135 0.000 0.768 356 P CB 0.593 32.195 31.700 -0.163 0.000 0.838 357 E N 1.595 121.625 120.200 -0.283 0.000 2.288 357 E HA 0.251 4.601 4.350 0.000 0.000 0.268 357 E C -0.665 175.747 176.600 -0.312 0.000 0.885 357 E CA -0.358 55.925 56.400 -0.194 0.000 0.767 357 E CB 1.496 31.175 29.700 -0.035 0.000 1.220 357 E HN 0.427 nan 8.360 nan 0.000 0.427 358 Y N -0.175 120.274 120.300 0.248 0.000 2.682 358 Y HA 0.199 4.749 4.550 0.000 0.000 0.251 358 Y C 0.056 176.206 175.900 0.418 0.000 1.172 358 Y CA -0.455 57.864 58.100 0.366 0.000 1.186 358 Y CB 1.069 39.642 38.460 0.189 0.000 1.216 358 Y HN 0.236 nan 8.280 nan 0.000 0.540 359 D N 0.465 121.004 120.400 0.232 0.000 2.542 359 D HA 0.113 4.753 4.640 0.000 0.000 0.252 359 D C 0.543 176.564 176.300 -0.465 0.000 1.222 359 D CA -0.349 53.621 54.000 -0.050 0.000 0.895 359 D CB 1.776 42.579 40.800 0.005 0.000 1.207 359 D HN 0.145 nan 8.370 nan 0.000 0.558 360 L N 4.270 124.850 121.223 -1.072 0.000 2.079 360 L HA -0.085 4.255 4.340 0.000 0.000 0.210 360 L C 1.638 178.179 176.870 -0.548 0.000 1.081 360 L CA 1.949 56.067 54.840 -1.204 0.000 0.752 360 L CB -0.213 40.977 42.059 -1.448 0.000 0.896 360 L HN 0.512 nan 8.230 nan 0.000 0.433 361 E N -0.793 119.183 120.200 -0.374 0.000 2.338 361 E HA -0.147 4.203 4.350 0.000 0.000 0.197 361 E C 1.962 178.467 176.600 -0.158 0.000 1.007 361 E CA 0.763 57.033 56.400 -0.217 0.000 0.849 361 E CB -0.130 29.485 29.700 -0.142 0.000 0.774 361 E HN 0.555 nan 8.360 nan 0.000 0.506 362 L N 0.688 121.815 121.223 -0.160 0.000 2.567 362 L HA 0.164 4.504 4.340 0.000 0.000 0.225 362 L C 0.773 177.590 176.870 -0.088 0.000 1.119 362 L CA -0.083 54.700 54.840 -0.094 0.000 0.871 362 L CB 0.202 42.226 42.059 -0.057 0.000 1.036 362 L HN 0.040 nan 8.230 nan 0.000 0.459 363 I N 0.686 121.177 120.570 -0.131 0.000 2.363 363 I HA 0.054 4.224 4.170 0.000 0.000 0.292 363 I C 0.065 176.136 176.117 -0.076 0.000 1.075 363 I CA 0.144 61.387 61.300 -0.096 0.000 1.333 363 I CB 0.883 38.807 38.000 -0.128 0.000 1.415 363 I HN -0.031 nan 8.210 nan 0.000 0.502 364 T N 5.143 119.673 114.554 -0.041 0.000 2.799 364 T HA 0.481 4.831 4.350 0.000 0.000 0.286 364 T C -0.061 174.631 174.700 -0.014 0.000 0.973 364 T CA -0.621 61.464 62.100 -0.026 0.000 1.035 364 T CB 1.045 69.904 68.868 -0.016 0.000 0.932 364 T HN 0.732 nan 8.240 nan 0.000 0.469 365 S N 0.293 115.987 115.700 -0.009 0.000 2.533 365 S HA 0.416 4.886 4.470 0.000 0.000 0.271 365 S C 0.005 174.612 174.600 0.010 0.000 1.143 365 S CA -0.924 57.273 58.200 -0.005 0.000 0.891 365 S CB 0.522 63.706 63.200 -0.026 0.000 1.105 365 S HN 0.935 nan 8.310 nan 0.000 0.468 366 C N 1.909 121.217 119.300 0.014 0.000 4.356 366 C HA -0.175 4.285 4.460 0.000 0.000 0.296 366 C C 1.496 176.543 174.990 0.095 0.000 1.424 366 C CA 0.708 59.753 59.018 0.045 0.000 2.000 366 C CB -3.315 24.443 27.740 0.030 0.000 1.262 366 C HN 1.914 nan 8.230 nan 0.000 0.789 367 S N -2.597 113.144 115.700 0.067 0.000 2.929 367 S HA -0.232 4.238 4.470 0.000 0.000 0.271 367 S C 0.301 174.944 174.600 0.072 0.000 1.295 367 S CA 1.593 59.832 58.200 0.065 0.000 1.277 367 S CB -1.684 61.571 63.200 0.091 0.000 1.557 367 S HN 2.049 nan 8.310 nan 0.000 0.666 368 S N 1.790 117.548 115.700 0.098 0.000 2.677 368 S HA 0.832 5.302 4.470 0.000 0.000 0.304 368 S C -0.771 173.861 174.600 0.052 0.000 1.108 368 S CA -0.382 57.895 58.200 0.127 0.000 0.944 368 S CB 2.196 65.566 63.200 0.285 0.000 1.127 368 S HN 0.636 nan 8.310 nan 0.000 0.511 369 N N -0.825 117.896 118.700 0.034 0.000 2.610 369 N HA 0.390 5.130 4.740 0.000 0.000 0.264 369 N C -1.570 173.890 175.510 -0.083 0.000 1.348 369 N CA -0.714 52.311 53.050 -0.041 0.000 0.819 369 N CB 1.440 39.890 38.487 -0.062 0.000 1.521 369 N HN 0.469 nan 8.380 nan 0.000 0.497 370 V N 0.412 120.243 119.914 -0.138 0.000 2.649 370 V HA 0.467 4.587 4.120 0.000 0.000 0.292 370 V C 0.496 176.458 176.094 -0.219 0.000 1.055 370 V CA -0.061 62.130 62.300 -0.182 0.000 1.023 370 V CB 0.936 32.654 31.823 -0.175 0.000 0.992 370 V HN 0.843 nan 8.190 nan 0.000 0.480 371 S N 2.779 118.251 115.700 -0.379 0.000 2.685 371 S HA 0.823 5.293 4.470 0.000 0.000 0.282 371 S C -1.150 173.277 174.600 -0.288 0.000 1.159 371 S CA -0.516 57.483 58.200 -0.335 0.000 0.833 371 S CB 2.091 65.064 63.200 -0.379 0.000 1.151 371 S HN 0.432 nan 8.310 nan 0.000 0.485 372 V N 1.393 121.231 119.914 -0.127 0.000 2.628 372 V HA 0.964 5.084 4.120 0.000 0.000 0.306 372 V C 0.341 176.389 176.094 -0.076 0.000 1.045 372 V CA -0.230 61.933 62.300 -0.229 0.000 0.905 372 V CB 0.942 32.523 31.823 -0.403 0.000 0.997 372 V HN 1.113 nan 8.190 nan 0.000 0.436 373 A N 2.679 125.333 122.820 -0.276 0.000 2.566 373 A HA 0.886 5.206 4.320 0.000 0.000 0.291 373 A C -1.143 175.968 177.584 -0.788 0.000 1.278 373 A CA -0.618 51.116 52.037 -0.506 0.000 0.711 373 A CB 1.719 20.272 19.000 -0.745 0.000 1.332 373 A HN 0.855 nan 8.150 nan 0.000 0.478 374 H N 0.218 118.962 119.070 -0.544 0.000 2.690 374 H HA 0.403 4.959 4.556 0.000 0.000 0.368 374 H C -1.098 173.926 175.328 -0.508 0.000 1.150 374 H CA -0.405 55.346 56.048 -0.495 0.000 1.174 374 H CB 1.892 31.338 29.762 -0.526 0.000 1.684 374 H HN 0.898 nan 8.280 nan 0.000 0.538 375 D N 0.592 120.915 120.400 -0.128 0.000 2.511 375 D HA 0.207 4.847 4.640 0.000 0.000 0.276 375 D C 1.293 177.697 176.300 0.173 0.000 1.220 375 D CA -0.459 53.536 54.000 -0.008 0.000 1.077 375 D CB 0.215 41.011 40.800 -0.007 0.000 1.126 375 D HN 0.446 nan 8.370 nan 0.000 0.583 376 A N -0.324 122.591 122.820 0.157 0.000 1.940 376 A HA -0.135 4.185 4.320 0.000 0.000 0.219 376 A C 2.117 179.775 177.584 0.124 0.000 1.176 376 A CA 1.839 53.966 52.037 0.149 0.000 0.631 376 A CB -0.953 18.096 19.000 0.081 0.000 0.814 376 A HN 0.463 nan 8.150 nan 0.000 0.446 377 S N -1.755 114.000 115.700 0.093 0.000 2.561 377 S HA 0.304 4.774 4.470 0.000 0.000 0.225 377 S C 1.498 176.142 174.600 0.075 0.000 0.977 377 S CA 0.977 59.217 58.200 0.066 0.000 0.926 377 S CB -0.089 63.139 63.200 0.046 0.000 0.769 377 S HN 1.634 nan 8.310 nan 0.000 0.533 378 G N 1.695 110.564 108.800 0.115 0.000 2.176 378 G HA2 -0.287 3.673 3.960 0.000 0.000 0.253 378 G HA3 -0.287 3.673 3.960 0.000 0.000 0.253 378 G C 0.071 175.043 174.900 0.120 0.000 0.979 378 G CA 0.237 45.391 45.100 0.090 0.000 0.641 378 G HN 0.506 nan 8.290 nan 0.000 0.530 379 K N 1.043 121.493 120.400 0.083 0.000 2.350 379 K HA 0.388 4.708 4.320 0.000 0.000 0.279 379 K C 0.902 177.494 176.600 -0.013 0.000 1.027 379 K CA -0.677 55.641 56.287 0.052 0.000 0.969 379 K CB 0.276 32.787 32.500 0.019 0.000 0.954 379 K HN 0.337 nan 8.250 nan 0.000 0.474 380 R N 1.997 122.451 120.500 -0.077 0.000 2.522 380 R HA 0.128 4.468 4.340 0.000 0.000 0.284 380 R C -0.669 175.430 176.300 -0.336 0.000 1.032 380 R CA -0.282 55.596 56.100 -0.370 0.000 1.049 380 R CB 0.637 30.738 30.300 -0.331 0.000 0.956 380 R HN 0.247 nan 8.270 nan 0.000 0.422 381 V N 4.471 124.117 119.914 -0.445 0.000 2.623 381 V HA 0.246 4.366 4.120 0.000 0.000 0.304 381 V C -0.973 174.951 176.094 -0.284 0.000 1.054 381 V CA -0.949 61.195 62.300 -0.260 0.000 0.882 381 V CB 1.446 33.176 31.823 -0.156 0.000 1.002 381 V HN 0.577 nan 8.190 nan 0.000 0.424 382 Y N 4.886 125.173 120.300 -0.021 0.000 2.301 382 Y HA 0.668 5.218 4.550 0.000 0.000 0.325 382 Y C 0.012 175.966 175.900 0.090 0.000 1.203 382 Y CA -0.194 57.897 58.100 -0.015 0.000 1.255 382 Y CB 1.213 39.624 38.460 -0.082 0.000 1.232 382 Y HN 0.734 nan 8.280 nan 0.000 0.501 383 Y N 0.124 120.481 120.300 0.095 0.000 2.625 383 Y HA 0.663 5.213 4.550 0.000 0.000 0.338 383 Y C -2.163 173.796 175.900 0.099 0.000 1.123 383 Y CA -1.973 56.170 58.100 0.072 0.000 1.046 383 Y CB 0.649 39.127 38.460 0.030 0.000 1.299 383 Y HN 0.469 nan 8.280 nan 0.000 0.464 384 L N 2.235 123.523 121.223 0.108 0.000 2.292 384 L HA 0.737 5.077 4.340 0.000 0.000 0.284 384 L C 0.064 177.129 176.870 0.324 0.000 1.065 384 L CA 0.454 55.351 54.840 0.095 0.000 0.806 384 L CB 1.377 43.510 42.059 0.124 0.000 1.175 384 L HN 1.027 nan 8.230 nan 0.000 0.431 385 T N 4.310 119.011 114.554 0.246 0.000 2.804 385 T HA 0.856 5.207 4.350 0.000 0.000 0.290 385 T C -1.022 173.817 174.700 0.231 0.000 1.099 385 T CA -0.634 61.700 62.100 0.391 0.000 1.011 385 T CB 1.174 70.259 68.868 0.362 0.000 1.291 385 T HN 0.818 nan 8.240 nan 0.000 0.523 386 R N 0.471 121.036 120.500 0.108 0.000 2.766 386 R HA 0.531 4.871 4.340 0.000 0.000 0.270 386 R C -1.408 174.737 176.300 -0.259 0.000 1.035 386 R CA -1.039 55.010 56.100 -0.086 0.000 0.911 386 R CB 0.340 30.536 30.300 -0.173 0.000 1.243 386 R HN 0.490 nan 8.270 nan 0.000 0.460 387 D N 1.531 121.773 120.400 -0.263 0.000 2.450 387 D HA 0.059 4.699 4.640 0.000 0.000 0.247 387 D C -1.344 174.597 176.300 -0.599 0.000 1.162 387 D CA -1.503 52.286 54.000 -0.351 0.000 0.879 387 D CB 1.305 41.981 40.800 -0.207 0.000 1.163 387 D HN 0.326 nan 8.370 nan 0.000 0.472 388 P HA -0.034 nan 4.420 nan 0.000 0.241 388 P C 1.184 178.158 177.300 -0.543 0.000 1.191 388 P CA 0.313 62.722 63.100 -1.152 0.000 0.771 388 P CB 0.319 31.272 31.700 -1.245 0.000 0.929 389 T N 0.041 114.394 114.554 -0.334 0.000 2.607 389 T HA -0.142 4.208 4.350 0.000 0.000 0.267 389 T C 1.840 176.481 174.700 -0.098 0.000 1.049 389 T CA 2.439 64.442 62.100 -0.161 0.000 1.162 389 T CB -1.207 67.605 68.868 -0.093 0.000 0.863 389 T HN 0.185 nan 8.240 nan 0.000 0.424 390 T N 2.304 116.812 114.554 -0.077 0.000 2.708 390 T HA -0.060 4.290 4.350 0.000 0.000 0.266 390 T C -0.581 174.106 174.700 -0.023 0.000 1.037 390 T CA 1.302 63.400 62.100 -0.003 0.000 1.146 390 T CB -1.194 67.717 68.868 0.071 0.000 0.865 390 T HN 0.348 nan 8.240 nan 0.000 0.435 391 P HA -0.001 nan 4.420 nan 0.000 0.215 391 P C 1.516 178.863 177.300 0.079 0.000 1.153 391 P CA 0.912 64.033 63.100 0.035 0.000 0.853 391 P CB -0.207 31.507 31.700 0.024 0.000 0.788 392 L N -1.195 120.028 121.223 -0.001 0.000 2.056 392 L HA -0.136 4.204 4.340 0.000 0.000 0.207 392 L C 2.506 179.418 176.870 0.070 0.000 1.078 392 L CA 1.513 56.375 54.840 0.036 0.000 0.749 392 L CB -1.256 40.787 42.059 -0.027 0.000 0.901 392 L HN -0.048 nan 8.230 nan 0.000 0.433 393 A N 0.339 123.190 122.820 0.051 0.000 1.908 393 A HA -0.218 4.102 4.320 0.000 0.000 0.218 393 A C 2.383 180.040 177.584 0.122 0.000 1.181 393 A CA 1.639 53.724 52.037 0.080 0.000 0.627 393 A CB -0.457 18.562 19.000 0.033 0.000 0.818 393 A HN 0.330 nan 8.150 nan 0.000 0.445 394 R N -0.775 119.775 120.500 0.084 0.000 2.148 394 R HA 0.081 4.421 4.340 0.000 0.000 0.223 394 R C 2.413 178.877 176.300 0.273 0.000 1.088 394 R CA 0.895 57.068 56.100 0.121 0.000 0.985 394 R CB -0.341 29.977 30.300 0.030 0.000 0.880 394 R HN 0.512 nan 8.270 nan 0.000 0.451 395 A N 1.238 124.232 122.820 0.290 0.000 1.898 395 A HA -0.096 4.224 4.320 0.000 0.000 0.216 395 A C 2.343 180.124 177.584 0.327 0.000 1.181 395 A CA 1.619 53.921 52.037 0.441 0.000 0.620 395 A CB -0.617 18.635 19.000 0.419 0.000 0.819 395 A HN 0.368 nan 8.150 nan 0.000 0.442 396 A N -1.316 121.618 122.820 0.190 0.000 1.877 396 A HA -0.200 4.120 4.320 0.000 0.000 0.216 396 A C 2.122 179.825 177.584 0.199 0.000 1.186 396 A CA 1.435 53.552 52.037 0.133 0.000 0.620 396 A CB -0.900 18.173 19.000 0.122 0.000 0.822 396 A HN 0.840 nan 8.150 nan 0.000 0.443 397 W N 1.023 122.369 121.300 0.077 0.000 2.363 397 W HA -0.130 4.530 4.660 0.000 0.000 0.296 397 W C 1.531 178.103 176.519 0.089 0.000 1.212 397 W CA 1.873 59.257 57.345 0.064 0.000 1.260 397 W CB -0.168 29.310 29.460 0.030 0.000 1.131 397 W HN 0.563 nan 8.180 nan 0.000 0.530 398 E N -0.861 119.588 120.200 0.415 0.000 2.371 398 E HA -0.091 4.259 4.350 0.000 0.000 0.194 398 E C 1.975 178.723 176.600 0.246 0.000 1.012 398 E CA 1.247 57.864 56.400 0.363 0.000 0.860 398 E CB -0.057 29.920 29.700 0.462 0.000 0.811 398 E HN 0.078 nan 8.360 nan 0.000 0.502 399 T N 0.885 115.576 114.554 0.227 0.000 2.732 399 T HA -0.097 4.253 4.350 0.000 0.000 0.261 399 T C 2.069 176.740 174.700 -0.048 0.000 1.040 399 T CA 1.220 63.389 62.100 0.115 0.000 1.145 399 T CB -0.138 68.817 68.868 0.146 0.000 0.866 399 T HN 0.231 nan 8.240 nan 0.000 0.427 400 A N 1.670 124.438 122.820 -0.085 0.000 1.872 400 A HA 0.079 4.399 4.320 0.000 0.000 0.214 400 A C 1.351 178.800 177.584 -0.224 0.000 1.187 400 A CA 0.817 52.749 52.037 -0.175 0.000 0.614 400 A CB -0.111 18.745 19.000 -0.240 0.000 0.826 400 A HN 0.377 nan 8.150 nan 0.000 0.442 401 R N 0.034 120.377 120.500 -0.261 0.000 2.445 401 R HA 0.375 4.715 4.340 0.000 0.000 0.308 401 R C -1.143 175.134 176.300 -0.039 0.000 0.961 401 R CA -0.704 55.285 56.100 -0.185 0.000 0.862 401 R CB 0.976 31.095 30.300 -0.301 0.000 1.144 401 R HN 0.407 nan 8.270 nan 0.000 0.447 402 H N 2.099 121.203 119.070 0.058 0.000 2.848 402 H HA 0.071 4.627 4.556 0.000 0.000 0.317 402 H C 0.306 175.705 175.328 0.119 0.000 1.046 402 H CA 0.555 56.663 56.048 0.100 0.000 1.470 402 H CB 0.988 30.792 29.762 0.070 0.000 1.483 402 H HN 0.639 nan 8.280 nan 0.000 0.548 403 T N 0.880 115.602 114.554 0.281 0.000 2.930 403 T HA 0.284 4.634 4.350 0.000 0.000 0.290 403 T C -1.410 173.383 174.700 0.155 0.000 1.052 403 T CA -1.620 60.606 62.100 0.210 0.000 1.017 403 T CB 2.156 71.162 68.868 0.231 0.000 1.137 403 T HN 0.266 nan 8.240 nan 0.000 0.511 404 P HA 0.108 nan 4.420 nan 0.000 0.217 404 P C 0.115 177.454 177.300 0.065 0.000 1.151 404 P CA 0.407 63.542 63.100 0.059 0.000 0.828 404 P CB 0.011 31.722 31.700 0.018 0.000 0.788 405 V N 1.987 121.931 119.914 0.050 0.000 2.513 405 V HA 0.237 4.357 4.120 0.000 0.000 0.299 405 V C 0.106 176.195 176.094 -0.008 0.000 1.035 405 V CA -0.784 61.520 62.300 0.007 0.000 0.889 405 V CB 1.596 33.412 31.823 -0.011 0.000 0.988 405 V HN 0.055 nan 8.190 nan 0.000 0.440 406 N N 2.878 121.503 118.700 -0.124 0.000 2.678 406 N HA 0.088 4.828 4.740 0.000 0.000 0.231 406 N C 1.176 176.453 175.510 -0.389 0.000 1.038 406 N CA 0.051 52.917 53.050 -0.307 0.000 0.932 406 N CB 1.617 39.695 38.487 -0.682 0.000 1.176 406 N HN 0.812 nan 8.380 nan 0.000 0.511 407 S N 1.810 117.425 115.700 -0.141 0.000 2.423 407 S HA -0.101 4.369 4.470 0.000 0.000 0.231 407 S C 1.775 176.349 174.600 -0.044 0.000 1.014 407 S CA 0.081 58.243 58.200 -0.062 0.000 0.965 407 S CB -0.363 62.859 63.200 0.036 0.000 0.785 407 S HN 0.790 nan 8.310 nan 0.000 0.495 408 W N 1.199 122.444 121.300 -0.091 0.000 2.388 408 W HA 0.034 4.694 4.660 0.000 0.000 0.294 408 W C 1.645 178.090 176.519 -0.124 0.000 1.212 408 W CA 0.355 57.611 57.345 -0.149 0.000 1.271 408 W CB -0.982 28.105 29.460 -0.621 0.000 1.126 408 W HN 0.358 nan 8.180 nan 0.000 0.535 409 L N 2.999 123.574 121.223 -1.080 0.000 2.027 409 L HA 0.155 4.495 4.340 0.000 0.000 0.206 409 L C 2.638 179.318 176.870 -0.317 0.000 1.074 409 L CA 2.880 57.164 54.840 -0.927 0.000 0.745 409 L CB -1.445 39.846 42.059 -1.280 0.000 0.898 409 L HN 0.042 nan 8.230 nan 0.000 0.433 410 G N -0.670 107.970 108.800 -0.267 0.000 2.432 410 G HA2 -0.295 3.665 3.960 0.000 0.000 0.219 410 G HA3 -0.295 3.665 3.960 0.000 0.000 0.219 410 G C 1.463 176.384 174.900 0.035 0.000 1.135 410 G CA 0.784 45.819 45.100 -0.108 0.000 0.767 410 G HN 0.453 nan 8.290 nan 0.000 0.550 411 N N 0.405 119.176 118.700 0.120 0.000 2.270 411 N HA 0.041 4.781 4.740 0.000 0.000 0.181 411 N C 2.208 177.860 175.510 0.237 0.000 1.016 411 N CA 0.361 53.597 53.050 0.311 0.000 0.870 411 N CB -0.069 38.658 38.487 0.401 0.000 0.979 411 N HN 0.308 nan 8.380 nan 0.000 0.431 412 I N 0.825 121.498 120.570 0.171 0.000 2.252 412 I HA -0.202 3.968 4.170 0.000 0.000 0.245 412 I C 1.932 178.104 176.117 0.092 0.000 1.102 412 I CA 0.894 62.279 61.300 0.142 0.000 1.385 412 I CB -0.121 38.028 38.000 0.247 0.000 1.064 412 I HN 0.047 nan 8.210 nan 0.000 0.414 413 I N -0.021 120.609 120.570 0.099 0.000 2.252 413 I HA -0.282 3.888 4.170 0.000 0.000 0.245 413 I C 2.493 178.707 176.117 0.161 0.000 1.102 413 I CA 1.136 62.522 61.300 0.143 0.000 1.385 413 I CB -0.172 37.906 38.000 0.129 0.000 1.064 413 I HN 0.194 nan 8.210 nan 0.000 0.414 414 M N -0.699 118.927 119.600 0.043 0.000 2.288 414 M HA -0.089 4.391 4.480 0.000 0.000 0.266 414 M C 0.947 177.050 176.300 -0.329 0.000 1.072 414 M CA 1.693 56.903 55.300 -0.150 0.000 1.132 414 M CB -0.700 31.703 32.600 -0.329 0.000 1.386 414 M HN 0.189 nan 8.290 nan 0.000 0.432 415 Y N -0.715 119.575 120.300 -0.017 0.000 2.713 415 Y HA 0.501 5.051 4.550 0.000 0.000 0.269 415 Y C 1.727 177.376 175.900 -0.418 0.000 1.106 415 Y CA -0.325 57.659 58.100 -0.192 0.000 1.174 415 Y CB -0.825 37.481 38.460 -0.257 0.000 1.186 415 Y HN 0.139 nan 8.280 nan 0.000 0.555 416 A N 0.988 123.611 122.820 -0.329 0.000 1.917 416 A HA -0.169 4.151 4.320 0.000 0.000 0.219 416 A C -0.355 176.967 177.584 -0.437 0.000 1.182 416 A CA 1.763 53.579 52.037 -0.368 0.000 0.633 416 A CB -1.393 17.386 19.000 -0.369 0.000 0.819 416 A HN 0.286 nan 8.150 nan 0.000 0.448 417 P HA -0.018 nan 4.420 nan 0.000 0.223 417 P C 0.739 177.765 177.300 -0.456 0.000 1.151 417 P CA 1.389 64.223 63.100 -0.443 0.000 0.787 417 P CB -0.503 30.969 31.700 -0.379 0.000 0.788 418 T N -2.594 111.685 114.554 -0.458 0.000 2.918 418 T HA 0.090 4.440 4.350 0.000 0.000 0.302 418 T C 1.183 175.467 174.700 -0.693 0.000 1.045 418 T CA -0.555 61.216 62.100 -0.548 0.000 1.114 418 T CB 0.589 68.980 68.868 -0.795 0.000 0.965 418 T HN -0.087 nan 8.240 nan 0.000 0.540 419 L N 2.735 123.458 121.223 -0.834 0.000 2.042 419 L HA -0.008 4.332 4.340 0.000 0.000 0.210 419 L C 2.447 178.993 176.870 -0.539 0.000 1.076 419 L CA 1.557 55.918 54.840 -0.798 0.000 0.749 419 L CB -0.459 40.987 42.059 -1.023 0.000 0.893 419 L HN 0.939 nan 8.230 nan 0.000 0.432 420 W N -0.716 120.356 121.300 -0.380 0.000 2.436 420 W HA 0.046 4.706 4.660 0.000 0.000 0.284 420 W C 1.971 178.335 176.519 -0.258 0.000 1.225 420 W CA 0.623 57.782 57.345 -0.310 0.000 1.271 420 W CB -1.110 28.210 29.460 -0.233 0.000 1.114 420 W HN 0.277 nan 8.180 nan 0.000 0.559 421 A N 1.838 124.199 122.820 -0.765 0.000 1.930 421 A HA -0.062 4.258 4.320 0.000 0.000 0.215 421 A C 2.238 179.654 177.584 -0.279 0.000 1.176 421 A CA 1.263 52.990 52.037 -0.518 0.000 0.632 421 A CB -0.622 17.912 19.000 -0.777 0.000 0.819 421 A HN 0.280 nan 8.150 nan 0.000 0.445 422 R N -1.170 119.091 120.500 -0.398 0.000 2.062 422 R HA 0.034 4.374 4.340 0.000 0.000 0.229 422 R C 2.338 178.437 176.300 -0.336 0.000 1.128 422 R CA 1.535 57.427 56.100 -0.346 0.000 0.960 422 R CB -0.399 29.571 30.300 -0.550 0.000 0.855 422 R HN 0.604 nan 8.270 nan 0.000 0.432 423 M N 0.324 119.569 119.600 -0.591 0.000 2.132 423 M HA -0.107 4.373 4.480 0.000 0.000 0.263 423 M C 1.688 177.783 176.300 -0.341 0.000 1.065 423 M CA 1.851 56.816 55.300 -0.558 0.000 1.122 423 M CB 0.211 32.465 32.600 -0.576 0.000 1.365 423 M HN 0.112 nan 8.290 nan 0.000 0.411 424 I N -1.050 119.225 120.570 -0.493 0.000 2.899 424 I HA -0.108 4.062 4.170 0.000 0.000 0.257 424 I C 2.015 177.975 176.117 -0.263 0.000 1.115 424 I CA 0.216 61.013 61.300 -0.839 0.000 1.451 424 I CB -0.164 37.364 38.000 -0.785 0.000 1.251 424 I HN 0.217 nan 8.210 nan 0.000 0.456 425 L N 0.284 121.526 121.223 0.031 0.000 2.027 425 L HA -0.154 4.186 4.340 0.000 0.000 0.206 425 L C 2.655 179.817 176.870 0.487 0.000 1.074 425 L CA 1.513 56.563 54.840 0.350 0.000 0.745 425 L CB -0.402 41.895 42.059 0.397 0.000 0.898 425 L HN 0.255 nan 8.230 nan 0.000 0.433 426 M N -0.901 118.933 119.600 0.391 0.000 2.117 426 M HA -0.170 4.310 4.480 0.000 0.000 0.262 426 M C 2.277 179.045 176.300 0.780 0.000 1.065 426 M CA 1.933 57.557 55.300 0.540 0.000 1.114 426 M CB -0.692 32.021 32.600 0.188 0.000 1.361 426 M HN 0.251 nan 8.290 nan 0.000 0.408 427 T N -1.359 113.625 114.554 0.717 0.000 2.737 427 T HA -0.192 4.158 4.350 0.000 0.000 0.265 427 T C 1.656 176.637 174.700 0.469 0.000 1.038 427 T CA 1.760 64.292 62.100 0.721 0.000 1.144 427 T CB -0.529 68.779 68.868 0.734 0.000 0.866 427 T HN 0.469 nan 8.240 nan 0.000 0.434 428 H N 0.412 119.633 119.070 0.252 0.000 2.290 428 H HA -0.050 4.506 4.556 0.000 0.000 0.298 428 H C 1.731 176.921 175.328 -0.230 0.000 1.087 428 H CA 1.764 57.813 56.048 0.003 0.000 1.291 428 H CB -0.416 29.191 29.762 -0.259 0.000 1.369 428 H HN 0.342 nan 8.280 nan 0.000 0.492 429 F N -1.317 118.615 119.950 -0.030 0.000 2.335 429 F HA 0.037 4.564 4.527 0.000 0.000 0.296 429 F C 1.965 177.637 175.800 -0.213 0.000 1.091 429 F CA 0.411 58.180 58.000 -0.386 0.000 1.399 429 F CB -0.482 37.906 39.000 -1.020 0.000 1.067 429 F HN 0.134 nan 8.300 nan 0.000 0.520 430 F N 0.282 120.343 119.950 0.185 0.000 2.293 430 F HA -0.199 4.328 4.527 0.000 0.000 0.300 430 F C 2.733 178.572 175.800 0.064 0.000 1.086 430 F CA 1.351 59.471 58.000 0.199 0.000 1.375 430 F CB -0.554 38.671 39.000 0.375 0.000 1.045 430 F HN -0.001 nan 8.300 nan 0.000 0.516 431 S N 0.188 115.973 115.700 0.141 0.000 2.371 431 S HA -0.148 4.322 4.470 0.000 0.000 0.224 431 S C 2.015 176.582 174.600 -0.055 0.000 1.029 431 S CA 1.077 59.285 58.200 0.014 0.000 0.978 431 S CB -0.797 62.383 63.200 -0.034 0.000 0.833 431 S HN 0.394 nan 8.310 nan 0.000 0.466 432 I N 1.419 121.900 120.570 -0.148 0.000 2.179 432 I HA -0.132 4.038 4.170 0.000 0.000 0.242 432 I C 2.498 178.588 176.117 -0.045 0.000 1.088 432 I CA 1.234 62.443 61.300 -0.152 0.000 1.357 432 I CB -0.439 37.406 38.000 -0.258 0.000 1.051 432 I HN 0.295 nan 8.210 nan 0.000 0.409 433 L N 0.220 121.429 121.223 -0.023 0.000 2.083 433 L HA -0.233 4.107 4.340 0.000 0.000 0.209 433 L C 2.590 179.484 176.870 0.040 0.000 1.083 433 L CA 1.296 56.144 54.840 0.014 0.000 0.752 433 L CB -0.514 41.524 42.059 -0.035 0.000 0.899 433 L HN 0.289 nan 8.230 nan 0.000 0.433 434 L N -0.337 120.921 121.223 0.057 0.000 2.012 434 L HA -0.237 4.103 4.340 0.000 0.000 0.210 434 L C 2.813 179.703 176.870 0.032 0.000 1.073 434 L CA 1.421 56.299 54.840 0.063 0.000 0.748 434 L CB -0.577 41.523 42.059 0.068 0.000 0.891 434 L HN 0.261 nan 8.230 nan 0.000 0.431 435 A N -1.244 121.582 122.820 0.011 0.000 1.968 435 A HA -0.146 4.174 4.320 0.000 0.000 0.217 435 A C 2.083 179.673 177.584 0.011 0.000 1.169 435 A CA 0.947 52.984 52.037 0.000 0.000 0.638 435 A CB -0.176 18.810 19.000 -0.022 0.000 0.812 435 A HN 0.392 nan 8.150 nan 0.000 0.446 436 Q N -0.336 119.476 119.800 0.021 0.000 2.425 436 Q HA 0.032 4.372 4.340 0.000 0.000 0.204 436 Q C -0.529 175.495 176.000 0.040 0.000 0.933 436 Q CA 0.544 56.369 55.803 0.036 0.000 0.939 436 Q CB -0.146 28.626 28.738 0.057 0.000 1.044 436 Q HN 0.785 nan 8.270 nan 0.000 0.513 437 E N 0.561 120.786 120.200 0.040 0.000 2.320 437 E HA -0.238 4.112 4.350 0.000 0.000 0.234 437 E C -0.256 176.376 176.600 0.052 0.000 1.183 437 E CA 0.271 56.698 56.400 0.045 0.000 0.713 437 E CB -1.289 28.433 29.700 0.037 0.000 1.226 437 E HN 0.463 nan 8.360 nan 0.000 0.382 438 Q N -0.458 119.378 119.800 0.060 0.000 2.135 438 Q HA 0.198 4.538 4.340 0.000 0.000 0.222 438 Q C 1.629 177.670 176.000 0.070 0.000 0.808 438 Q CA -0.229 55.614 55.803 0.067 0.000 1.049 438 Q CB 0.500 29.287 28.738 0.081 0.000 1.168 438 Q HN 0.381 nan 8.270 nan 0.000 0.483 439 L N 0.674 121.939 121.223 0.071 0.000 2.081 439 L HA -0.239 4.101 4.340 0.000 0.000 0.212 439 L C 2.107 179.029 176.870 0.086 0.000 1.080 439 L CA 1.281 56.169 54.840 0.080 0.000 0.754 439 L CB -0.261 41.875 42.059 0.127 0.000 0.893 439 L HN 0.261 nan 8.230 nan 0.000 0.433 440 E N 0.097 120.345 120.200 0.079 0.000 2.152 440 E HA -0.101 4.249 4.350 0.000 0.000 0.192 440 E C 0.971 177.612 176.600 0.069 0.000 0.983 440 E CA 0.276 56.720 56.400 0.073 0.000 0.818 440 E CB 0.010 29.747 29.700 0.062 0.000 0.758 440 E HN 0.365 nan 8.360 nan 0.000 0.467 441 K N 1.461 121.902 120.400 0.069 0.000 2.412 441 K HA 0.192 4.512 4.320 0.000 0.000 0.281 441 K C -0.446 176.197 176.600 0.072 0.000 1.027 441 K CA -0.177 56.151 56.287 0.068 0.000 0.989 441 K CB 0.651 33.195 32.500 0.073 0.000 0.935 441 K HN -0.113 nan 8.250 nan 0.000 0.475 442 A N 5.005 127.865 122.820 0.066 0.000 2.388 442 A HA 0.413 4.733 4.320 0.000 0.000 0.257 442 A C -0.548 177.069 177.584 0.056 0.000 1.095 442 A CA -0.438 51.635 52.037 0.061 0.000 0.791 442 A CB 0.273 19.310 19.000 0.062 0.000 1.029 442 A HN 0.737 nan 8.150 nan 0.000 0.489 443 L N 1.464 122.703 121.223 0.028 0.000 2.370 443 L HA 0.389 4.729 4.340 0.000 0.000 0.266 443 L C -0.930 175.920 176.870 -0.034 0.000 1.002 443 L CA -1.042 53.798 54.840 -0.000 0.000 0.818 443 L CB 2.113 44.142 42.059 -0.049 0.000 1.325 443 L HN 0.576 nan 8.230 nan 0.000 0.418 444 D N 1.412 121.800 120.400 -0.018 0.000 2.256 444 D HA 0.474 5.114 4.640 0.000 0.000 0.250 444 D C -0.578 175.660 176.300 -0.104 0.000 1.093 444 D CA 0.070 54.055 54.000 -0.025 0.000 0.882 444 D CB 1.457 42.285 40.800 0.047 0.000 1.185 444 D HN 0.607 nan 8.370 nan 0.000 0.437 445 C N 0.949 120.179 119.300 -0.116 0.000 3.170 445 C HA 0.518 4.978 4.460 0.000 0.000 0.319 445 C C -0.847 174.085 174.990 -0.097 0.000 1.260 445 C CA -1.015 57.912 59.018 -0.153 0.000 1.374 445 C CB 1.730 29.319 27.740 -0.251 0.000 1.739 445 C HN 0.425 nan 8.230 nan 0.000 0.479 446 Q N 1.236 120.991 119.800 -0.076 0.000 2.235 446 Q HA 0.683 5.023 4.340 0.000 0.000 0.250 446 Q C -0.851 175.126 176.000 -0.039 0.000 0.909 446 Q CA 0.006 55.793 55.803 -0.025 0.000 0.910 446 Q CB 1.898 30.636 28.738 0.001 0.000 1.223 446 Q HN 0.810 nan 8.270 nan 0.000 0.432 447 I N 2.431 123.000 120.570 -0.002 0.000 2.534 447 I HA 0.112 4.282 4.170 0.000 0.000 0.286 447 I C -0.958 175.223 176.117 0.108 0.000 1.094 447 I CA -0.818 60.419 61.300 -0.105 0.000 1.055 447 I CB 1.264 38.916 38.000 -0.581 0.000 1.225 447 I HN 0.536 nan 8.210 nan 0.000 0.435 448 Y N 5.167 125.525 120.300 0.096 0.000 3.225 448 Y HA -0.264 4.286 4.550 0.000 0.000 0.211 448 Y C 1.472 177.373 175.900 0.002 0.000 1.223 448 Y CA 1.253 59.409 58.100 0.093 0.000 1.284 448 Y CB -1.906 36.622 38.460 0.112 0.000 1.367 448 Y HN 1.006 nan 8.280 nan 0.000 0.566 449 G N -2.253 106.654 108.800 0.179 0.000 2.241 449 G HA2 -0.009 3.951 3.960 0.000 0.000 0.244 449 G HA3 -0.009 3.951 3.960 0.000 0.000 0.244 449 G C 0.373 175.310 174.900 0.062 0.000 0.998 449 G CA 0.116 45.275 45.100 0.098 0.000 0.621 449 G HN 1.541 nan 8.290 nan 0.000 0.519 450 A N -0.522 122.337 122.820 0.065 0.000 2.312 450 A HA 0.667 4.987 4.320 0.000 0.000 0.326 450 A C 0.578 177.994 177.584 -0.281 0.000 1.172 450 A CA 0.345 52.275 52.037 -0.179 0.000 0.821 450 A CB 1.116 19.937 19.000 -0.298 0.000 1.166 450 A HN 1.610 nan 8.150 nan 0.000 0.493 451 C N 2.814 121.862 119.300 -0.420 0.000 2.415 451 C HA 0.715 5.175 4.460 0.000 0.000 0.369 451 C C -0.952 173.627 174.990 -0.684 0.000 1.279 451 C CA -0.397 58.421 59.018 -0.332 0.000 1.886 451 C CB -1.652 26.025 27.740 -0.105 0.000 2.468 451 C HN 0.630 nan 8.230 nan 0.000 0.553 452 Y N 3.444 123.515 120.300 -0.381 0.000 2.425 452 Y HA 0.416 4.966 4.550 0.000 0.000 0.344 452 Y C 0.465 176.187 175.900 -0.296 0.000 0.969 452 Y CA -0.352 57.489 58.100 -0.432 0.000 1.052 452 Y CB 1.775 39.925 38.460 -0.518 0.000 1.215 452 Y HN 0.631 nan 8.280 nan 0.000 0.451 453 S N 4.402 120.027 115.700 -0.125 0.000 2.452 453 S HA 0.663 5.133 4.470 0.000 0.000 0.284 453 S C -0.781 173.844 174.600 0.041 0.000 1.171 453 S CA -0.244 57.947 58.200 -0.014 0.000 1.064 453 S CB -0.411 62.806 63.200 0.029 0.000 0.967 453 S HN 0.545 nan 8.310 nan 0.000 0.484 454 I N 3.701 124.291 120.570 0.034 0.000 2.608 454 I HA 0.385 4.555 4.170 0.000 0.000 0.295 454 I C -0.299 175.853 176.117 0.059 0.000 1.049 454 I CA -0.738 60.604 61.300 0.070 0.000 1.063 454 I CB 2.354 40.389 38.000 0.059 0.000 1.248 454 I HN 0.552 nan 8.210 nan 0.000 0.424 455 E N 6.183 126.433 120.200 0.084 0.000 2.146 455 E HA 0.211 4.561 4.350 0.000 0.000 0.282 455 E C -1.832 174.832 176.600 0.107 0.000 0.989 455 E CA -1.568 54.883 56.400 0.085 0.000 0.799 455 E CB 1.338 31.089 29.700 0.084 0.000 1.088 455 E HN 0.305 nan 8.360 nan 0.000 0.397 456 P HA -0.189 nan 4.420 nan 0.000 0.217 456 P C 0.839 178.297 177.300 0.263 0.000 1.148 456 P CA 1.135 64.318 63.100 0.138 0.000 0.828 456 P CB 0.229 31.939 31.700 0.017 0.000 0.783 457 L N -1.036 120.318 121.223 0.219 0.000 2.551 457 L HA -0.074 4.266 4.340 0.000 0.000 0.228 457 L C 1.291 178.269 176.870 0.181 0.000 1.153 457 L CA 0.973 55.960 54.840 0.246 0.000 0.851 457 L CB -0.616 41.550 42.059 0.178 0.000 0.959 457 L HN -0.041 nan 8.230 nan 0.000 0.451 458 D N -0.320 120.171 120.400 0.153 0.000 2.350 458 D HA 0.017 4.657 4.640 0.000 0.000 0.213 458 D C 2.282 178.654 176.300 0.121 0.000 1.031 458 D CA 0.273 54.335 54.000 0.103 0.000 0.861 458 D CB 0.347 41.193 40.800 0.075 0.000 0.926 458 D HN 0.254 nan 8.370 nan 0.000 0.520 459 L N 1.095 122.438 121.223 0.200 0.000 2.051 459 L HA -0.184 4.156 4.340 0.000 0.000 0.214 459 L C -0.508 176.479 176.870 0.195 0.000 1.076 459 L CA 1.639 56.615 54.840 0.226 0.000 0.758 459 L CB -1.394 40.874 42.059 0.348 0.000 0.890 459 L HN 0.065 nan 8.230 nan 0.000 0.433 460 P HA -0.202 nan 4.420 nan 0.000 0.215 460 P C 1.349 178.720 177.300 0.118 0.000 1.153 460 P CA 1.406 64.565 63.100 0.099 0.000 0.853 460 P CB 0.012 31.608 31.700 -0.174 0.000 0.788 461 Q N -0.898 118.910 119.800 0.014 0.000 2.083 461 Q HA -0.057 4.284 4.340 0.000 0.000 0.198 461 Q C 2.253 178.245 176.000 -0.014 0.000 0.969 461 Q CA 1.074 56.864 55.803 -0.023 0.000 0.838 461 Q CB -0.668 28.040 28.738 -0.051 0.000 0.900 461 Q HN 0.251 nan 8.270 nan 0.000 0.436 462 I N 0.784 121.351 120.570 -0.003 0.000 2.208 462 I HA -0.298 3.872 4.170 0.000 0.000 0.245 462 I C 2.193 178.323 176.117 0.022 0.000 1.097 462 I CA 1.304 62.578 61.300 -0.044 0.000 1.363 462 I CB -0.303 37.714 38.000 0.028 0.000 1.051 462 I HN 0.215 nan 8.210 nan 0.000 0.413 463 I N 0.404 121.040 120.570 0.110 0.000 2.315 463 I HA -0.268 3.902 4.170 0.000 0.000 0.248 463 I C 2.613 178.721 176.117 -0.015 0.000 1.117 463 I CA 1.308 62.675 61.300 0.111 0.000 1.404 463 I CB -0.378 37.673 38.000 0.085 0.000 1.071 463 I HN 0.289 nan 8.210 nan 0.000 0.419 464 E N 1.090 121.296 120.200 0.009 0.000 2.077 464 E HA -0.233 4.117 4.350 0.000 0.000 0.193 464 E C 2.432 179.001 176.600 -0.051 0.000 0.989 464 E CA 0.955 57.342 56.400 -0.021 0.000 0.800 464 E CB 0.105 29.854 29.700 0.083 0.000 0.746 464 E HN 0.221 nan 8.360 nan 0.000 0.452 465 R N 0.221 120.682 120.500 -0.066 0.000 2.073 465 R HA -0.086 4.254 4.340 0.000 0.000 0.234 465 R C 2.436 178.651 176.300 -0.141 0.000 1.134 465 R CA 1.067 57.102 56.100 -0.107 0.000 0.952 465 R CB -0.421 29.786 30.300 -0.155 0.000 0.850 465 R HN 0.343 nan 8.270 nan 0.000 0.433 466 L N -1.221 119.898 121.223 -0.173 0.000 2.209 466 L HA -0.060 4.280 4.340 0.000 0.000 0.207 466 L C 1.777 178.328 176.870 -0.532 0.000 1.094 466 L CA 0.930 55.555 54.840 -0.358 0.000 0.790 466 L CB -0.244 41.571 42.059 -0.408 0.000 0.932 466 L HN 0.257 nan 8.230 nan 0.000 0.447 467 H N -1.026 117.958 119.070 -0.142 0.000 3.255 467 H HA 0.297 4.853 4.556 0.000 0.000 0.256 467 H C 0.865 176.098 175.328 -0.159 0.000 1.049 467 H CA 0.758 56.711 56.048 -0.157 0.000 1.202 467 H CB 1.237 30.879 29.762 -0.200 0.000 1.497 467 H HN 0.248 nan 8.280 nan 0.000 0.503 468 G N 1.190 109.952 108.800 -0.064 0.000 2.712 468 G HA2 -0.220 3.740 3.960 0.000 0.000 0.686 468 G HA3 -0.220 3.740 3.960 0.000 0.000 0.686 468 G C 0.629 175.455 174.900 -0.124 0.000 1.321 468 G CA -0.177 44.885 45.100 -0.065 0.000 0.813 468 G HN 0.219 nan 8.290 nan 0.000 0.599 469 L N 0.984 122.198 121.223 -0.013 0.000 2.447 469 L HA -0.126 4.214 4.340 0.000 0.000 0.225 469 L C 3.050 179.945 176.870 0.041 0.000 1.148 469 L CA 2.093 56.995 54.840 0.103 0.000 0.808 469 L CB -0.449 41.740 42.059 0.218 0.000 0.928 469 L HN 0.888 nan 8.230 nan 0.000 0.448 470 S N -0.531 115.144 115.700 -0.041 0.000 2.453 470 S HA -0.055 4.415 4.470 0.000 0.000 0.231 470 S C 2.097 176.625 174.600 -0.121 0.000 1.005 470 S CA 0.553 58.730 58.200 -0.038 0.000 0.949 470 S CB -0.146 63.029 63.200 -0.043 0.000 0.774 470 S HN 0.341 nan 8.310 nan 0.000 0.510 471 A N 0.623 123.275 122.820 -0.280 0.000 2.131 471 A HA 0.138 4.458 4.320 0.000 0.000 0.220 471 A C 1.378 178.789 177.584 -0.288 0.000 1.158 471 A CA 0.934 52.737 52.037 -0.390 0.000 0.665 471 A CB -0.831 17.825 19.000 -0.573 0.000 0.795 471 A HN 0.588 nan 8.150 nan 0.000 0.460 472 F N -0.537 119.433 119.950 0.033 0.000 2.727 472 F HA 0.152 4.679 4.527 0.000 0.000 0.302 472 F C 1.823 177.671 175.800 0.081 0.000 1.097 472 F CA 0.351 58.397 58.000 0.077 0.000 1.330 472 F CB 0.153 39.239 39.000 0.144 0.000 1.084 472 F HN 0.266 nan 8.300 nan 0.000 0.578 473 S N -1.345 114.468 115.700 0.188 0.000 2.960 473 S HA 0.287 4.757 4.470 0.000 0.000 0.256 473 S C -0.042 174.650 174.600 0.153 0.000 1.017 473 S CA -0.358 57.945 58.200 0.172 0.000 1.144 473 S CB -0.615 62.676 63.200 0.152 0.000 1.109 473 S HN 0.025 nan 8.310 nan 0.000 0.638 474 L N 3.494 124.719 121.223 0.002 0.000 2.453 474 L HA 0.414 4.754 4.340 0.000 0.000 0.272 474 L C 0.522 177.278 176.870 -0.190 0.000 1.182 474 L CA 0.195 54.902 54.840 -0.222 0.000 0.858 474 L CB -0.033 41.755 42.059 -0.451 0.000 1.120 474 L HN 0.679 nan 8.230 nan 0.000 0.474 475 H N -0.898 117.949 119.070 -0.371 0.000 2.960 475 H HA 0.353 4.909 4.556 0.000 0.000 0.323 475 H C -0.137 175.064 175.328 -0.212 0.000 1.326 475 H CA -0.709 55.204 56.048 -0.225 0.000 1.124 475 H CB 0.934 30.677 29.762 -0.032 0.000 1.853 475 H HN 0.467 nan 8.280 nan 0.000 0.536 476 S N -1.507 114.216 115.700 0.039 0.000 3.356 476 S HA -0.278 4.192 4.470 0.000 0.000 0.376 476 S C -0.537 174.075 174.600 0.019 0.000 0.924 476 S CA 0.564 58.803 58.200 0.066 0.000 1.316 476 S CB -3.021 60.203 63.200 0.039 0.000 0.922 476 S HN 0.600 nan 8.310 nan 0.000 0.553 477 Y N 1.806 122.133 120.300 0.044 0.000 2.258 477 Y HA 0.437 4.987 4.550 0.000 0.000 0.345 477 Y C 1.579 177.519 175.900 0.067 0.000 1.303 477 Y CA 0.118 58.249 58.100 0.052 0.000 1.537 477 Y CB 0.328 38.819 38.460 0.052 0.000 1.383 477 Y HN 0.752 nan 8.280 nan 0.000 0.606 478 S N 2.096 117.944 115.700 0.247 0.000 2.564 478 S HA 0.126 4.596 4.470 0.000 0.000 0.278 478 S C -1.823 172.853 174.600 0.127 0.000 1.333 478 S CA -1.156 57.129 58.200 0.141 0.000 1.048 478 S CB 1.168 64.425 63.200 0.095 0.000 0.900 478 S HN 0.484 nan 8.310 nan 0.000 0.505 479 P HA -0.041 nan 4.420 nan 0.000 0.216 479 P C 1.684 179.017 177.300 0.056 0.000 1.150 479 P CA 1.761 64.904 63.100 0.071 0.000 0.837 479 P CB -0.609 31.125 31.700 0.057 0.000 0.786 480 G N 0.343 109.172 108.800 0.048 0.000 2.440 480 G HA2 -0.294 3.666 3.960 0.000 0.000 0.218 480 G HA3 -0.294 3.666 3.960 0.000 0.000 0.218 480 G C 1.696 176.617 174.900 0.034 0.000 1.154 480 G CA 1.070 46.190 45.100 0.033 0.000 0.767 480 G HN 0.293 nan 8.290 nan 0.000 0.552 481 E N 0.567 120.803 120.200 0.060 0.000 2.028 481 E HA -0.089 4.261 4.350 0.000 0.000 0.191 481 E C 2.349 178.975 176.600 0.044 0.000 0.988 481 E CA 0.783 57.225 56.400 0.071 0.000 0.799 481 E CB -0.440 29.350 29.700 0.149 0.000 0.755 481 E HN 0.286 nan 8.360 nan 0.000 0.447 482 I N 1.521 122.121 120.570 0.050 0.000 2.264 482 I HA -0.256 3.914 4.170 0.000 0.000 0.248 482 I C 1.913 178.040 176.117 0.016 0.000 1.111 482 I CA 1.427 62.740 61.300 0.023 0.000 1.382 482 I CB -0.788 37.239 38.000 0.044 0.000 1.060 482 I HN 0.226 nan 8.210 nan 0.000 0.418 483 N N -0.264 118.450 118.700 0.022 0.000 2.166 483 N HA -0.208 4.532 4.740 0.000 0.000 0.186 483 N C 2.011 177.519 175.510 -0.002 0.000 1.019 483 N CA 0.722 53.781 53.050 0.015 0.000 0.856 483 N CB -0.129 38.369 38.487 0.018 0.000 0.993 483 N HN 0.306 nan 8.380 nan 0.000 0.426 484 R N 1.167 121.659 120.500 -0.012 0.000 2.066 484 R HA -0.074 4.266 4.340 0.000 0.000 0.232 484 R C 1.928 178.189 176.300 -0.065 0.000 1.131 484 R CA 0.992 57.068 56.100 -0.040 0.000 0.955 484 R CB -0.232 30.038 30.300 -0.051 0.000 0.851 484 R HN 0.001 nan 8.270 nan 0.000 0.432 485 V N 1.247 121.125 119.914 -0.060 0.000 2.287 485 V HA -0.260 3.860 4.120 0.000 0.000 0.248 485 V C 2.513 178.584 176.094 -0.038 0.000 1.053 485 V CA 2.008 64.263 62.300 -0.074 0.000 1.027 485 V CB -0.847 30.956 31.823 -0.034 0.000 0.646 485 V HN 0.576 nan 8.190 nan 0.000 0.447 486 A N -0.431 122.384 122.820 -0.010 0.000 1.902 486 A HA -0.217 4.103 4.320 0.000 0.000 0.217 486 A C 2.481 180.070 177.584 0.009 0.000 1.181 486 A CA 2.313 54.357 52.037 0.012 0.000 0.623 486 A CB -0.726 18.287 19.000 0.022 0.000 0.818 486 A HN 0.513 nan 8.150 nan 0.000 0.443 487 S N -1.337 114.361 115.700 -0.003 0.000 2.382 487 S HA -0.193 4.277 4.470 0.000 0.000 0.228 487 S C 2.013 176.609 174.600 -0.005 0.000 1.027 487 S CA 1.182 59.382 58.200 -0.000 0.000 0.991 487 S CB -0.811 62.384 63.200 -0.009 0.000 0.823 487 S HN 0.784 nan 8.310 nan 0.000 0.469 488 C N 1.785 121.065 119.300 -0.033 0.000 2.446 488 C HA 0.067 4.527 4.460 0.000 0.000 0.277 488 C C 2.404 177.385 174.990 -0.014 0.000 1.275 488 C CA 0.434 59.425 59.018 -0.046 0.000 1.727 488 C CB -1.547 26.122 27.740 -0.118 0.000 2.010 488 C HN 0.559 nan 8.230 nan 0.000 0.486 489 L N 0.293 121.515 121.223 -0.002 0.000 2.056 489 L HA -0.097 4.243 4.340 0.000 0.000 0.207 489 L C 3.051 179.939 176.870 0.031 0.000 1.078 489 L CA 1.550 56.407 54.840 0.029 0.000 0.749 489 L CB -0.823 41.274 42.059 0.063 0.000 0.901 489 L HN 0.347 nan 8.230 nan 0.000 0.433 490 R N 0.357 120.881 120.500 0.040 0.000 2.073 490 R HA -0.209 4.131 4.340 0.000 0.000 0.234 490 R C 2.376 178.738 176.300 0.104 0.000 1.134 490 R CA 1.602 57.738 56.100 0.060 0.000 0.952 490 R CB -0.282 30.053 30.300 0.058 0.000 0.850 490 R HN 0.273 nan 8.270 nan 0.000 0.433 491 K N 0.528 120.984 120.400 0.094 0.000 2.057 491 K HA -0.143 4.177 4.320 0.000 0.000 0.207 491 K C 1.513 178.258 176.600 0.241 0.000 1.049 491 K CA 1.219 57.591 56.287 0.142 0.000 0.931 491 K CB 0.098 32.644 32.500 0.076 0.000 0.714 491 K HN 0.013 nan 8.250 nan 0.000 0.440 492 L N -0.126 121.164 121.223 0.110 0.000 2.567 492 L HA 0.224 4.564 4.340 0.000 0.000 0.225 492 L C 0.838 177.601 176.870 -0.180 0.000 1.119 492 L CA 1.061 55.943 54.840 0.069 0.000 0.871 492 L CB 0.476 42.559 42.059 0.041 0.000 1.036 492 L HN 0.460 nan 8.230 nan 0.000 0.459 493 G N 0.100 108.692 108.800 -0.346 0.000 2.256 493 G HA2 -0.209 3.751 3.960 0.000 0.000 0.272 493 G HA3 -0.209 3.751 3.960 0.000 0.000 0.272 493 G C -0.032 174.760 174.900 -0.179 0.000 1.076 493 G CA 0.182 44.957 45.100 -0.542 0.000 0.882 493 G HN 0.091 nan 8.290 nan 0.000 0.497 494 V N 0.902 120.794 119.914 -0.036 0.000 2.407 494 V HA 0.443 4.563 4.120 0.000 0.000 0.278 494 V C -1.316 174.872 176.094 0.157 0.000 1.037 494 V CA -1.721 60.642 62.300 0.105 0.000 0.900 494 V CB 1.637 33.555 31.823 0.157 0.000 0.983 494 V HN 0.185 nan 8.190 nan 0.000 0.459 495 P HA 0.137 nan 4.420 nan 0.000 0.267 495 P C -2.462 174.984 177.300 0.243 0.000 1.200 495 P CA -0.673 62.455 63.100 0.046 0.000 0.772 495 P CB -0.110 31.422 31.700 -0.280 0.000 0.855 496 P HA 0.041 nan 4.420 nan 0.000 0.276 496 P C 0.812 178.305 177.300 0.322 0.000 1.261 496 P CA -0.436 62.795 63.100 0.218 0.000 0.800 496 P CB 0.618 32.392 31.700 0.124 0.000 1.066 497 L N 1.471 122.880 121.223 0.310 0.000 2.089 497 L HA -0.210 4.130 4.340 0.000 0.000 0.213 497 L C 2.741 179.780 176.870 0.281 0.000 1.079 497 L CA 2.031 57.069 54.840 0.331 0.000 0.758 497 L CB -1.106 41.075 42.059 0.202 0.000 0.891 497 L HN 0.405 nan 8.230 nan 0.000 0.433 498 R N -1.079 119.532 120.500 0.184 0.000 2.117 498 R HA -0.169 4.171 4.340 0.000 0.000 0.243 498 R C 1.904 178.314 176.300 0.182 0.000 1.143 498 R CA 2.227 58.415 56.100 0.148 0.000 0.968 498 R CB -0.332 30.042 30.300 0.124 0.000 0.863 498 R HN 0.419 nan 8.270 nan 0.000 0.444 499 V N -0.797 119.181 119.914 0.107 0.000 2.446 499 V HA -0.144 3.976 4.120 0.000 0.000 0.244 499 V C 1.748 177.828 176.094 -0.023 0.000 1.039 499 V CA 1.513 63.807 62.300 -0.009 0.000 1.045 499 V CB -0.569 31.095 31.823 -0.264 0.000 0.681 499 V HN 0.428 nan 8.190 nan 0.000 0.459 500 W N 0.384 121.797 121.300 0.189 0.000 2.388 500 W HA -0.084 4.576 4.660 0.000 0.000 0.294 500 W C 2.691 179.379 176.519 0.282 0.000 1.212 500 W CA 1.368 58.860 57.345 0.245 0.000 1.271 500 W CB -0.287 29.341 29.460 0.279 0.000 1.126 500 W HN 0.042 nan 8.180 nan 0.000 0.535 501 R N -0.220 120.549 120.500 0.449 0.000 2.091 501 R HA -0.207 4.133 4.340 0.000 0.000 0.238 501 R C 2.053 178.348 176.300 -0.008 0.000 1.136 501 R CA 1.836 58.062 56.100 0.211 0.000 0.959 501 R CB -0.662 29.693 30.300 0.091 0.000 0.856 501 R HN 0.268 nan 8.270 nan 0.000 0.437 502 H N 0.011 119.124 119.070 0.070 0.000 2.357 502 H HA -0.040 4.516 4.556 0.000 0.000 0.301 502 H C 2.178 177.490 175.328 -0.028 0.000 1.082 502 H CA 1.563 57.608 56.048 -0.005 0.000 1.342 502 H CB 0.032 29.778 29.762 -0.026 0.000 1.389 502 H HN 0.269 nan 8.280 nan 0.000 0.511 503 R N 0.325 120.902 120.500 0.129 0.000 2.115 503 R HA 0.009 4.349 4.340 0.000 0.000 0.230 503 R C 2.496 178.801 176.300 0.008 0.000 1.111 503 R CA 0.871 57.012 56.100 0.068 0.000 0.976 503 R CB -0.071 30.293 30.300 0.106 0.000 0.870 503 R HN 0.177 nan 8.270 nan 0.000 0.445 504 A N 1.262 124.103 122.820 0.034 0.000 1.930 504 A HA -0.126 4.194 4.320 0.000 0.000 0.217 504 A C 2.056 179.418 177.584 -0.369 0.000 1.175 504 A CA 0.995 52.919 52.037 -0.190 0.000 0.627 504 A CB -0.256 18.653 19.000 -0.151 0.000 0.815 504 A HN 0.177 nan 8.150 nan 0.000 0.443 505 R N -0.662 119.697 120.500 -0.235 0.000 2.081 505 R HA -0.097 4.243 4.340 0.000 0.000 0.235 505 R C 2.653 178.845 176.300 -0.179 0.000 1.131 505 R CA 1.476 57.451 56.100 -0.208 0.000 0.960 505 R CB -0.373 29.848 30.300 -0.133 0.000 0.856 505 R HN 0.559 nan 8.270 nan 0.000 0.436 506 S N 0.226 115.845 115.700 -0.134 0.000 2.355 506 S HA -0.102 4.368 4.470 0.000 0.000 0.222 506 S C 2.049 176.551 174.600 -0.164 0.000 1.031 506 S CA 1.259 59.390 58.200 -0.114 0.000 0.993 506 S CB -0.153 63.004 63.200 -0.072 0.000 0.859 506 S HN 0.111 nan 8.310 nan 0.000 0.453 507 V N 2.435 122.204 119.914 -0.241 0.000 2.287 507 V HA -0.177 3.943 4.120 0.000 0.000 0.248 507 V C 2.753 178.620 176.094 -0.379 0.000 1.053 507 V CA 2.323 64.434 62.300 -0.316 0.000 1.027 507 V CB -0.829 30.693 31.823 -0.502 0.000 0.646 507 V HN 0.488 nan 8.190 nan 0.000 0.447 508 R N -0.073 120.124 120.500 -0.505 0.000 2.083 508 R HA -0.208 4.132 4.340 0.000 0.000 0.237 508 R C 2.345 178.541 176.300 -0.174 0.000 1.137 508 R CA 1.856 57.748 56.100 -0.348 0.000 0.951 508 R CB -0.503 29.618 30.300 -0.298 0.000 0.851 508 R HN 0.506 nan 8.270 nan 0.000 0.434 509 A N 1.014 123.743 122.820 -0.151 0.000 1.877 509 A HA -0.173 4.147 4.320 0.000 0.000 0.216 509 A C 2.183 179.727 177.584 -0.067 0.000 1.186 509 A CA 1.525 53.505 52.037 -0.094 0.000 0.620 509 A CB -0.503 18.448 19.000 -0.082 0.000 0.822 509 A HN 0.359 nan 8.150 nan 0.000 0.443 510 R N -0.751 119.708 120.500 -0.069 0.000 2.152 510 R HA -0.018 4.322 4.340 0.000 0.000 0.232 510 R C 1.977 178.269 176.300 -0.012 0.000 1.117 510 R CA 1.203 57.281 56.100 -0.036 0.000 0.981 510 R CB -0.424 29.856 30.300 -0.033 0.000 0.870 510 R HN 0.525 nan 8.270 nan 0.000 0.451 511 L N 0.258 121.469 121.223 -0.021 0.000 2.072 511 L HA -0.135 4.205 4.340 0.000 0.000 0.205 511 L C 2.238 179.118 176.870 0.018 0.000 1.079 511 L CA 0.959 55.813 54.840 0.023 0.000 0.752 511 L CB -0.269 41.804 42.059 0.024 0.000 0.906 511 L HN 0.195 nan 8.230 nan 0.000 0.436 512 L N -0.393 120.824 121.223 -0.010 0.000 2.131 512 L HA -0.190 4.150 4.340 0.000 0.000 0.210 512 L C 2.776 179.645 176.870 -0.002 0.000 1.092 512 L CA 1.516 56.351 54.840 -0.009 0.000 0.759 512 L CB -0.541 41.500 42.059 -0.029 0.000 0.903 512 L HN 0.405 nan 8.230 nan 0.000 0.435 513 S N -1.199 114.498 115.700 -0.004 0.000 2.481 513 S HA -0.164 4.306 4.470 0.000 0.000 0.231 513 S C 1.700 176.306 174.600 0.010 0.000 0.996 513 S CA 0.510 58.710 58.200 -0.001 0.000 0.942 513 S CB -0.174 63.022 63.200 -0.006 0.000 0.768 513 S HN 0.511 nan 8.310 nan 0.000 0.520 514 Q N 1.052 120.864 119.800 0.021 0.000 2.424 514 Q HA 0.308 4.648 4.340 0.000 0.000 0.204 514 Q C 1.304 177.324 176.000 0.033 0.000 0.933 514 Q CA 0.152 55.974 55.803 0.031 0.000 0.929 514 Q CB -0.185 28.582 28.738 0.047 0.000 1.037 514 Q HN 0.726 nan 8.270 nan 0.000 0.511 515 G N 0.442 109.259 108.800 0.029 0.000 2.749 515 G HA2 -0.142 3.818 3.960 0.000 0.000 0.242 515 G HA3 -0.142 3.818 3.960 0.000 0.000 0.242 515 G C 0.429 175.353 174.900 0.040 0.000 1.364 515 G CA -0.228 44.889 45.100 0.029 0.000 0.888 515 G HN 0.761 nan 8.290 nan 0.000 0.566 516 G N -1.182 107.641 108.800 0.037 0.000 2.569 516 G HA2 -0.155 3.805 3.960 0.000 0.000 0.259 516 G HA3 -0.155 3.805 3.960 0.000 0.000 0.259 516 G C 1.162 176.093 174.900 0.052 0.000 1.263 516 G CA 1.217 46.342 45.100 0.042 0.000 0.928 516 G HN 1.556 nan 8.290 nan 0.000 0.572 517 R N 0.120 120.655 120.500 0.058 0.000 2.105 517 R HA -0.051 4.289 4.340 0.000 0.000 0.239 517 R C 3.115 179.473 176.300 0.097 0.000 1.135 517 R CA 2.169 58.311 56.100 0.069 0.000 0.967 517 R CB -0.775 29.573 30.300 0.080 0.000 0.861 517 R HN 0.841 nan 8.270 nan 0.000 0.442 518 A N 1.723 124.609 122.820 0.110 0.000 1.902 518 A HA -0.095 4.225 4.320 0.000 0.000 0.217 518 A C 2.465 180.105 177.584 0.093 0.000 1.181 518 A CA 1.719 53.837 52.037 0.136 0.000 0.623 518 A CB -0.537 18.539 19.000 0.127 0.000 0.818 518 A HN 0.396 nan 8.150 nan 0.000 0.443 519 A N -1.244 121.616 122.820 0.067 0.000 1.930 519 A HA -0.045 4.275 4.320 0.000 0.000 0.217 519 A C 2.263 179.881 177.584 0.057 0.000 1.175 519 A CA 2.140 54.205 52.037 0.047 0.000 0.627 519 A CB -1.120 17.902 19.000 0.035 0.000 0.815 519 A HN 0.418 nan 8.150 nan 0.000 0.443 520 T N -0.835 113.764 114.554 0.075 0.000 2.821 520 T HA -0.160 4.190 4.350 0.000 0.000 0.267 520 T C 1.884 176.644 174.700 0.099 0.000 1.046 520 T CA 1.492 63.662 62.100 0.116 0.000 1.139 520 T CB -0.607 68.287 68.868 0.042 0.000 0.871 520 T HN 0.587 nan 8.240 nan 0.000 0.454 521 C N 1.309 120.634 119.300 0.041 0.000 2.432 521 C HA 0.044 4.504 4.460 0.000 0.000 0.277 521 C C 3.099 178.079 174.990 -0.016 0.000 1.249 521 C CA 0.502 59.492 59.018 -0.046 0.000 1.725 521 C CB -1.488 26.210 27.740 -0.070 0.000 2.028 521 C HN 0.706 nan 8.230 nan 0.000 0.477 522 G N 0.134 108.962 108.800 0.047 0.000 2.440 522 G HA2 -0.291 3.669 3.960 0.000 0.000 0.218 522 G HA3 -0.291 3.669 3.960 0.000 0.000 0.218 522 G C 1.664 176.590 174.900 0.044 0.000 1.154 522 G CA 1.197 46.349 45.100 0.086 0.000 0.767 522 G HN 0.637 nan 8.290 nan 0.000 0.552 523 K N -0.981 119.411 120.400 -0.014 0.000 2.057 523 K HA -0.038 4.282 4.320 0.000 0.000 0.206 523 K C 2.163 178.589 176.600 -0.289 0.000 1.050 523 K CA 1.001 57.205 56.287 -0.138 0.000 0.935 523 K CB -0.183 32.232 32.500 -0.141 0.000 0.715 523 K HN 0.428 nan 8.250 nan 0.000 0.439 524 Y N 0.463 120.572 120.300 -0.319 0.000 2.301 524 Y HA 0.062 4.612 4.550 0.000 0.000 0.295 524 Y C 1.960 177.548 175.900 -0.519 0.000 1.126 524 Y CA 0.531 58.257 58.100 -0.624 0.000 1.154 524 Y CB 0.040 37.810 38.460 -1.149 0.000 1.075 524 Y HN -0.089 nan 8.280 nan 0.000 0.534 525 L N -1.635 119.424 121.223 -0.274 0.000 2.217 525 L HA -0.117 4.223 4.340 0.000 0.000 0.211 525 L C 0.610 177.191 176.870 -0.481 0.000 1.107 525 L CA 1.355 55.969 54.840 -0.377 0.000 0.783 525 L CB -0.299 41.318 42.059 -0.737 0.000 0.919 525 L HN 0.193 nan 8.230 nan 0.000 0.442 526 F N -1.857 118.025 119.950 -0.113 0.000 2.735 526 F HA 0.181 4.708 4.527 0.000 0.000 0.308 526 F C 1.706 177.176 175.800 -0.551 0.000 1.112 526 F CA -0.326 57.403 58.000 -0.452 0.000 1.235 526 F CB -0.558 38.192 39.000 -0.417 0.000 1.027 526 F HN 0.011 nan 8.300 nan 0.000 0.528 527 N N 1.146 119.756 118.700 -0.149 0.000 2.443 527 N HA -0.166 4.574 4.740 0.000 0.000 0.184 527 N C 1.836 177.309 175.510 -0.061 0.000 1.037 527 N CA 1.407 54.385 53.050 -0.120 0.000 0.896 527 N CB -0.044 38.388 38.487 -0.091 0.000 0.959 527 N HN 0.595 nan 8.380 nan 0.000 0.442 528 W N 0.154 121.485 121.300 0.052 0.000 2.425 528 W HA 0.085 4.745 4.660 0.000 0.000 0.277 528 W C 1.510 178.068 176.519 0.064 0.000 1.231 528 W CA 0.600 57.981 57.345 0.060 0.000 1.248 528 W CB -0.695 28.813 29.460 0.080 0.000 1.117 528 W HN -0.026 nan 8.180 nan 0.000 0.568 529 A N 1.629 124.049 122.820 -0.666 0.000 2.072 529 A HA 0.140 4.460 4.320 0.000 0.000 0.216 529 A C 1.222 178.647 177.584 -0.264 0.000 1.156 529 A CA 1.129 52.770 52.037 -0.659 0.000 0.701 529 A CB -0.932 17.442 19.000 -1.044 0.000 0.816 529 A HN 0.131 nan 8.150 nan 0.000 0.458 530 V N -2.639 117.154 119.914 -0.201 0.000 2.644 530 V HA 0.403 4.523 4.120 0.000 0.000 0.295 530 V C 1.001 177.051 176.094 -0.075 0.000 1.053 530 V CA -0.294 61.928 62.300 -0.131 0.000 0.987 530 V CB 1.483 33.231 31.823 -0.126 0.000 1.006 530 V HN 0.352 nan 8.190 nan 0.000 0.472 531 K N 1.449 121.812 120.400 -0.062 0.000 2.155 531 K HA 0.055 4.375 4.320 0.000 0.000 0.203 531 K C 0.517 177.093 176.600 -0.041 0.000 1.052 531 K CA 1.130 57.393 56.287 -0.041 0.000 0.948 531 K CB 0.085 32.564 32.500 -0.035 0.000 0.728 531 K HN 0.876 nan 8.250 nan 0.000 0.448 532 T N 2.819 117.343 114.554 -0.049 0.000 2.874 532 T HA 0.233 4.583 4.350 0.000 0.000 0.321 532 T C -0.958 173.707 174.700 -0.058 0.000 1.075 532 T CA -0.766 61.305 62.100 -0.048 0.000 0.966 532 T CB 1.246 70.088 68.868 -0.044 0.000 1.001 532 T HN -0.013 nan 8.240 nan 0.000 0.476 533 K N 2.893 123.258 120.400 -0.057 0.000 2.295 533 K HA 0.317 4.637 4.320 0.000 0.000 0.270 533 K C 0.245 176.800 176.600 -0.074 0.000 1.011 533 K CA -0.616 55.632 56.287 -0.065 0.000 0.953 533 K CB 0.955 33.423 32.500 -0.052 0.000 0.956 533 K HN 0.257 nan 8.250 nan 0.000 0.477 534 L N 2.586 123.750 121.223 -0.099 0.000 2.682 534 L HA 0.031 4.371 4.340 0.000 0.000 0.209 534 L C 1.956 178.759 176.870 -0.111 0.000 1.195 534 L CA 0.495 55.266 54.840 -0.114 0.000 0.869 534 L CB 0.051 42.013 42.059 -0.162 0.000 1.599 534 L HN 0.623 nan 8.230 nan 0.000 0.518 535 K N 0.104 120.431 120.400 -0.122 0.000 2.063 535 K HA 0.038 4.358 4.320 0.000 0.000 0.204 535 K C -0.146 176.391 176.600 -0.105 0.000 1.039 535 K CA 0.351 56.586 56.287 -0.087 0.000 0.957 535 K CB -0.517 31.946 32.500 -0.061 0.000 0.764 535 K HN 0.218 nan 8.250 nan 0.000 0.447 536 L N 2.679 123.773 121.223 -0.216 0.000 3.000 536 L HA -0.135 4.205 4.340 0.000 0.000 0.682 536 L C -0.355 176.547 176.870 0.053 0.000 1.047 536 L CA 1.148 55.834 54.840 -0.256 0.000 1.334 536 L CB -2.282 39.669 42.059 -0.180 0.000 1.859 536 L HN 0.748 nan 8.230 nan 0.000 0.890 537 T N 0.702 115.336 114.554 0.135 0.000 2.944 537 T HA 0.867 5.217 4.350 0.000 0.000 0.284 537 T C -2.478 172.369 174.700 0.245 0.000 1.010 537 T CA -2.300 59.898 62.100 0.163 0.000 1.025 537 T CB 1.841 70.770 68.868 0.101 0.000 1.079 537 T HN 0.227 nan 8.240 nan 0.000 0.516 538 P HA 0.172 nan 4.420 nan 0.000 0.262 538 P C -0.405 176.939 177.300 0.074 0.000 1.182 538 P CA -0.016 63.153 63.100 0.115 0.000 0.761 538 P CB 0.038 31.780 31.700 0.070 0.000 0.795 539 I N 6.992 127.563 120.570 0.001 0.000 2.452 539 I HA 0.059 4.229 4.170 0.000 0.000 0.287 539 I C -0.819 175.277 176.117 -0.034 0.000 1.079 539 I CA -1.568 59.691 61.300 -0.068 0.000 1.387 539 I CB 1.022 38.896 38.000 -0.211 0.000 1.404 539 I HN 0.345 nan 8.210 nan 0.000 0.522 540 P HA -0.160 nan 4.420 nan 0.000 0.220 540 P C 1.141 178.427 177.300 -0.024 0.000 1.148 540 P CA 0.975 64.068 63.100 -0.012 0.000 0.803 540 P CB 0.280 31.979 31.700 -0.001 0.000 0.782 541 A N 0.023 122.821 122.820 -0.035 0.000 2.168 541 A HA 0.174 4.495 4.320 0.000 0.000 0.215 541 A C 2.348 179.901 177.584 -0.051 0.000 1.152 541 A CA 1.263 53.276 52.037 -0.039 0.000 0.716 541 A CB -1.068 17.909 19.000 -0.038 0.000 0.794 541 A HN 0.230 nan 8.150 nan 0.000 0.465 542 A N 0.501 123.287 122.820 -0.057 0.000 1.897 542 A HA -0.045 4.275 4.320 0.000 0.000 0.215 542 A C 2.386 179.927 177.584 -0.070 0.000 1.181 542 A CA 1.861 53.858 52.037 -0.066 0.000 0.620 542 A CB -0.866 18.101 19.000 -0.055 0.000 0.821 542 A HN 0.951 nan 8.150 nan 0.000 0.443 543 S N 0.202 115.870 115.700 -0.053 0.000 2.555 543 S HA -0.147 4.323 4.470 0.000 0.000 0.230 543 S C 1.512 176.079 174.600 -0.055 0.000 0.978 543 S CA 0.994 59.164 58.200 -0.051 0.000 0.934 543 S CB -0.424 62.757 63.200 -0.033 0.000 0.766 543 S HN 0.829 nan 8.310 nan 0.000 0.533 544 Q N 0.151 119.918 119.800 -0.056 0.000 2.219 544 Q HA 0.411 4.751 4.340 0.000 0.000 0.209 544 Q C 0.103 176.061 176.000 -0.069 0.000 0.854 544 Q CA -0.354 55.417 55.803 -0.052 0.000 0.960 544 Q CB -0.113 28.603 28.738 -0.037 0.000 1.116 544 Q HN 0.441 nan 8.270 nan 0.000 0.500 545 L N 1.947 123.111 121.223 -0.099 0.000 2.371 545 L HA 0.209 4.549 4.340 0.000 0.000 0.272 545 L C -0.149 176.622 176.870 -0.165 0.000 1.124 545 L CA -0.436 54.320 54.840 -0.140 0.000 0.816 545 L CB 0.889 42.830 42.059 -0.197 0.000 1.129 545 L HN 0.111 nan 8.230 nan 0.000 0.448 546 D N 3.563 123.866 120.400 -0.162 0.000 2.522 546 D HA 0.194 4.834 4.640 0.000 0.000 0.218 546 D C 0.009 176.151 176.300 -0.265 0.000 1.149 546 D CA -0.240 53.669 54.000 -0.153 0.000 0.981 546 D CB 0.559 41.312 40.800 -0.078 0.000 1.041 546 D HN 0.160 nan 8.370 nan 0.000 0.518 547 L N 2.307 123.309 121.223 -0.369 0.000 2.928 547 L HA 0.119 4.459 4.340 0.000 0.000 0.246 547 L C 2.126 178.850 176.870 -0.244 0.000 1.239 547 L CA 0.089 54.556 54.840 -0.623 0.000 1.035 547 L CB -0.442 41.154 42.059 -0.773 0.000 1.360 547 L HN 0.288 nan 8.230 nan 0.000 0.529 548 S N -1.344 114.286 115.700 -0.116 0.000 2.383 548 S HA -0.107 4.363 4.470 0.000 0.000 0.229 548 S C 1.704 176.325 174.600 0.035 0.000 1.030 548 S CA 1.228 59.411 58.200 -0.030 0.000 1.002 548 S CB -0.444 62.741 63.200 -0.024 0.000 0.829 548 S HN 0.416 nan 8.310 nan 0.000 0.467 549 G N -1.443 107.399 108.800 0.070 0.000 3.277 549 G HA2 0.268 4.228 3.960 0.000 0.000 0.243 549 G HA3 0.268 4.228 3.960 0.000 0.000 0.243 549 G C 0.553 175.560 174.900 0.178 0.000 1.107 549 G CA -0.391 44.766 45.100 0.095 0.000 0.771 549 G HN 0.411 nan 8.290 nan 0.000 0.544 550 W N 0.780 121.954 121.300 -0.210 0.000 2.381 550 W HA 0.257 4.917 4.660 0.000 0.000 0.301 550 W C 0.291 176.323 176.519 -0.811 0.000 1.205 550 W CA 0.460 57.450 57.345 -0.591 0.000 1.285 550 W CB -0.207 28.756 29.460 -0.828 0.000 1.133 550 W HN 0.094 nan 8.180 nan 0.000 0.521 551 F N -0.544 119.527 119.950 0.201 0.000 2.449 551 F HA 0.314 4.841 4.527 0.000 0.000 0.344 551 F C 0.475 176.388 175.800 0.189 0.000 1.180 551 F CA -0.408 57.691 58.000 0.165 0.000 1.209 551 F CB 0.174 39.224 39.000 0.085 0.000 1.440 551 F HN -0.413 nan 8.300 nan 0.000 0.526 552 V N 0.233 120.334 119.914 0.312 0.000 3.137 552 V HA 0.589 4.709 4.120 0.000 0.000 0.236 552 V C 0.738 176.995 176.094 0.271 0.000 1.260 552 V CA 0.502 62.948 62.300 0.244 0.000 1.244 552 V CB 0.631 32.570 31.823 0.193 0.000 1.016 552 V HN 0.468 nan 8.190 nan 0.000 0.477 553 A N -0.465 122.484 122.820 0.215 0.000 2.587 553 A HA 0.794 5.114 4.320 0.000 0.000 0.293 553 A C -0.194 177.108 177.584 -0.471 0.000 1.087 553 A CA 0.083 52.085 52.037 -0.057 0.000 0.692 553 A CB 1.265 20.025 19.000 -0.401 0.000 1.291 553 A HN 0.380 nan 8.150 nan 0.000 0.407 554 G N -1.170 107.006 108.800 -1.041 0.000 2.420 554 G HA2 0.522 4.482 3.960 0.000 0.000 0.284 554 G HA3 0.522 4.482 3.960 0.000 0.000 0.284 554 G C -0.765 173.480 174.900 -1.093 0.000 1.177 554 G CA -0.026 44.081 45.100 -1.655 0.000 0.841 554 G HN 0.615 nan 8.290 nan 0.000 0.527 555 Y N 0.193 120.286 120.300 -0.346 0.000 2.830 555 Y HA 0.241 4.791 4.550 0.000 0.000 0.255 555 Y C 1.263 177.094 175.900 -0.115 0.000 1.130 555 Y CA -0.780 57.219 58.100 -0.168 0.000 1.217 555 Y CB 0.255 38.656 38.460 -0.099 0.000 1.296 555 Y HN 0.390 nan 8.280 nan 0.000 0.571 556 S N 0.869 116.554 115.700 -0.025 0.000 2.563 556 S HA 0.274 4.744 4.470 0.000 0.000 0.294 556 S C 1.408 176.033 174.600 0.042 0.000 1.279 556 S CA 1.304 59.518 58.200 0.023 0.000 1.069 556 S CB 0.216 63.432 63.200 0.027 0.000 0.828 556 S HN 0.908 nan 8.310 nan 0.000 0.497 557 G N 2.741 111.568 108.800 0.045 0.000 2.184 557 G HA2 -0.252 3.708 3.960 0.000 0.000 0.264 557 G HA3 -0.252 3.708 3.960 0.000 0.000 0.264 557 G C 0.749 175.683 174.900 0.056 0.000 0.975 557 G CA 0.263 45.394 45.100 0.051 0.000 0.642 557 G HN 1.094 nan 8.290 nan 0.000 0.536 558 G N -0.269 108.569 108.800 0.063 0.000 3.042 558 G HA2 0.401 4.361 3.960 0.000 0.000 0.212 558 G HA3 0.401 4.361 3.960 0.000 0.000 0.212 558 G C 0.422 175.345 174.900 0.037 0.000 1.166 558 G CA 1.111 46.263 45.100 0.087 0.000 0.767 558 G HN 1.155 nan 8.290 nan 0.000 0.546 559 D N -0.278 120.113 120.400 -0.014 0.000 2.705 559 D HA -0.159 4.481 4.640 0.000 0.000 0.240 559 D C -0.166 176.068 176.300 -0.111 0.000 1.137 559 D CA 0.381 54.346 54.000 -0.058 0.000 0.677 559 D CB -1.141 39.640 40.800 -0.031 0.000 1.049 559 D HN 0.109 nan 8.370 nan 0.000 0.427 560 I N 1.450 121.912 120.570 -0.180 0.000 2.474 560 I HA 0.408 4.578 4.170 0.000 0.000 0.294 560 I C -0.165 175.698 176.117 -0.423 0.000 1.005 560 I CA -0.787 60.297 61.300 -0.361 0.000 1.113 560 I CB 1.436 39.086 38.000 -0.582 0.000 1.289 560 I HN 0.131 nan 8.210 nan 0.000 0.436 561 Y N 5.565 125.491 120.300 -0.624 0.000 2.442 561 Y HA 0.529 5.079 4.550 0.000 0.000 0.344 561 Y C -0.857 174.667 175.900 -0.627 0.000 0.976 561 Y CA -0.367 57.391 58.100 -0.571 0.000 1.040 561 Y CB 1.611 39.864 38.460 -0.345 0.000 1.228 561 Y HN 0.651 nan 8.280 nan 0.000 0.451 562 H N 1.992 120.462 119.070 -1.001 0.000 2.869 562 H HA 0.673 5.229 4.556 0.000 0.000 0.342 562 H C -0.417 174.517 175.328 -0.657 0.000 1.250 562 H CA -0.386 55.242 56.048 -0.701 0.000 1.217 562 H CB 2.079 31.414 29.762 -0.712 0.000 1.917 562 H HN 0.810 nan 8.280 nan 0.000 0.586 563 S N 0.000 115.653 115.700 -0.079 0.000 2.498 563 S HA 0.000 4.470 4.470 0.000 0.000 0.327 563 S CA 0.000 58.200 58.200 -0.001 0.000 1.107 563 S CB 0.000 63.222 63.200 0.036 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517