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 2o5d_1_B DATA FIRST_RESID 1 DATA SEQUENCE HHSYTWTGAL 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 VVICESAGVQ EDAASLRAFT 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 YHSLSR 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 H HA 0.000 nan 4.556 nan 0.000 0.296 1 H C 0.000 175.182 175.328 -0.243 0.000 0.993 1 H CA 0.000 55.893 56.048 -0.258 0.000 1.023 1 H CB 0.000 29.679 29.762 -0.138 0.000 1.292 2 H N 0.406 119.485 119.070 0.015 0.000 2.582 2 H HA 0.146 4.701 4.556 -0.001 0.000 0.345 2 H C 1.187 176.441 175.328 -0.123 0.000 1.104 2 H CA 0.547 56.583 56.048 -0.020 0.000 1.390 2 H CB 1.553 31.314 29.762 -0.002 0.000 1.461 2 H HN 0.582 nan 8.280 nan 0.000 0.551 3 S N 2.161 117.800 115.700 -0.100 0.000 2.382 3 S HA -0.091 4.378 4.470 -0.001 0.000 0.228 3 S C 0.134 174.414 174.600 -0.533 0.000 1.027 3 S CA 0.995 58.976 58.200 -0.365 0.000 0.991 3 S CB -0.107 62.785 63.200 -0.512 0.000 0.823 3 S HN 0.573 nan 8.310 nan 0.000 0.469 4 Y N 0.464 120.661 120.300 -0.173 0.000 2.597 4 Y HA 0.555 5.104 4.550 -0.001 0.000 0.340 4 Y C -0.198 175.431 175.900 -0.452 0.000 1.097 4 Y CA -0.927 56.924 58.100 -0.415 0.000 1.037 4 Y CB 1.877 39.903 38.460 -0.723 0.000 1.305 4 Y HN 0.119 nan 8.280 nan 0.000 0.463 5 T N -2.395 111.901 114.554 -0.430 0.000 2.900 5 T HA 0.727 5.076 4.350 -0.001 0.000 0.295 5 T C -1.489 172.920 174.700 -0.485 0.000 1.044 5 T CA -0.836 61.091 62.100 -0.288 0.000 0.995 5 T CB 1.266 70.092 68.868 -0.071 0.000 1.072 5 T HN 0.532 nan 8.240 nan 0.000 0.473 6 W N 0.764 122.108 121.300 0.073 0.000 2.844 6 W HA 0.502 5.162 4.660 -0.002 0.000 0.340 6 W C 1.351 177.891 176.519 0.036 0.000 1.093 6 W CA -0.739 56.636 57.345 0.049 0.000 1.212 6 W CB 1.968 31.437 29.460 0.015 0.000 1.422 6 W HN 0.893 nan 8.180 nan 0.000 0.515 7 T N -2.349 112.368 114.554 0.271 0.000 3.054 7 T HA 0.324 4.673 4.350 -0.001 0.000 0.259 7 T C 1.424 176.205 174.700 0.134 0.000 1.092 7 T CA 1.011 63.206 62.100 0.158 0.000 1.121 7 T CB -0.007 68.933 68.868 0.121 0.000 0.912 7 T HN 1.266 nan 8.240 nan 0.000 0.489 8 G N 1.216 110.108 108.800 0.153 0.000 2.253 8 G HA2 0.057 4.016 3.960 -0.001 0.000 0.209 8 G HA3 0.057 4.016 3.960 -0.001 0.000 0.209 8 G C 0.372 175.300 174.900 0.046 0.000 0.997 8 G CA -0.159 44.986 45.100 0.075 0.000 0.640 8 G HN 1.073 nan 8.290 nan 0.000 0.496 9 A N 1.015 123.877 122.820 0.069 0.000 2.498 9 A HA 0.622 4.941 4.320 -0.001 0.000 0.239 9 A C 0.831 178.431 177.584 0.027 0.000 1.068 9 A CA 0.292 52.357 52.037 0.046 0.000 0.766 9 A CB 0.149 19.185 19.000 0.059 0.000 1.003 9 A HN 0.883 nan 8.150 nan 0.000 0.497 10 L N 1.623 122.848 121.223 0.003 0.000 2.439 10 L HA 0.293 4.633 4.340 -0.001 0.000 0.261 10 L C 0.142 177.006 176.870 -0.010 0.000 1.153 10 L CA -0.305 54.520 54.840 -0.024 0.000 0.808 10 L CB 0.598 42.642 42.059 -0.025 0.000 1.126 10 L HN 0.557 nan 8.230 nan 0.000 0.460 11 I N 1.406 121.956 120.570 -0.033 0.000 2.322 11 I HA 0.098 4.268 4.170 -0.001 0.000 0.292 11 I C 0.470 176.587 176.117 0.000 0.000 1.060 11 I CA -0.097 61.197 61.300 -0.010 0.000 1.309 11 I CB 0.866 38.847 38.000 -0.033 0.000 1.415 11 I HN 0.663 nan 8.210 nan 0.000 0.492 12 T N 5.044 119.607 114.554 0.014 0.000 2.943 12 T HA 0.591 4.941 4.350 -0.001 0.000 0.284 12 T C -2.486 172.232 174.700 0.030 0.000 1.015 12 T CA -1.952 60.159 62.100 0.018 0.000 1.042 12 T CB 1.828 70.706 68.868 0.016 0.000 1.055 12 T HN 0.274 nan 8.240 nan 0.000 0.500 13 P HA 0.298 nan 4.420 nan 0.000 0.282 13 P C 0.561 177.884 177.300 0.039 0.000 1.259 13 P CA -0.819 62.305 63.100 0.040 0.000 0.826 13 P CB 0.987 32.710 31.700 0.038 0.000 1.064 14 C N -0.375 118.952 119.300 0.045 0.000 2.855 14 C HA 0.805 5.265 4.460 -0.001 0.000 0.279 14 C C 0.706 175.716 174.990 0.034 0.000 1.270 14 C CA -0.256 58.786 59.018 0.040 0.000 1.702 14 C CB -1.297 26.473 27.740 0.050 0.000 1.949 14 C HN 0.715 nan 8.230 nan 0.000 0.618 15 A N 0.008 122.849 122.820 0.036 0.000 2.540 15 A HA 0.773 5.092 4.320 -0.001 0.000 0.291 15 A C -0.503 177.106 177.584 0.042 0.000 1.083 15 A CA -0.011 52.047 52.037 0.036 0.000 0.650 15 A CB -0.367 18.654 19.000 0.036 0.000 1.292 15 A HN 1.399 nan 8.150 nan 0.000 0.435 16 A N 0.059 122.906 122.820 0.045 0.000 2.498 16 A HA 0.535 4.854 4.320 -0.001 0.000 0.239 16 A C 0.073 177.699 177.584 0.069 0.000 1.068 16 A CA 0.514 52.582 52.037 0.053 0.000 0.766 16 A CB -0.243 18.787 19.000 0.051 0.000 1.003 16 A HN 0.646 nan 8.150 nan 0.000 0.497 17 E N 0.836 121.082 120.200 0.077 0.000 2.256 17 E HA 0.458 4.807 4.350 -0.001 0.000 0.267 17 E C -1.059 175.622 176.600 0.135 0.000 0.892 17 E CA -0.552 55.909 56.400 0.100 0.000 0.775 17 E CB 2.004 31.753 29.700 0.082 0.000 1.207 17 E HN 0.742 nan 8.360 nan 0.000 0.420 18 E N 0.573 120.897 120.200 0.206 0.000 2.199 18 E HA 0.209 4.558 4.350 -0.001 0.000 0.269 18 E C -0.158 176.666 176.600 0.374 0.000 0.899 18 E CA -0.225 56.341 56.400 0.277 0.000 0.772 18 E CB 1.687 31.587 29.700 0.333 0.000 1.155 18 E HN 0.572 nan 8.360 nan 0.000 0.408 19 S N 2.014 117.907 115.700 0.321 0.000 2.564 19 S HA 0.113 4.583 4.470 -0.001 0.000 0.231 19 S C 0.340 175.191 174.600 0.419 0.000 1.067 19 S CA -0.325 58.078 58.200 0.339 0.000 0.908 19 S CB 0.115 63.457 63.200 0.237 0.000 0.809 19 S HN 0.216 nan 8.310 nan 0.000 0.491 20 K N 2.058 122.635 120.400 0.294 0.000 2.249 20 K HA 0.445 4.764 4.320 -0.001 0.000 0.280 20 K C -0.684 175.976 176.600 0.099 0.000 1.033 20 K CA -0.638 55.772 56.287 0.205 0.000 0.946 20 K CB 0.724 33.286 32.500 0.104 0.000 1.005 20 K HN 0.192 nan 8.250 nan 0.000 0.469 21 L N 4.890 126.167 121.223 0.089 0.000 2.615 21 L HA 0.106 4.445 4.340 -0.001 0.000 0.271 21 L C -2.374 174.272 176.870 -0.374 0.000 1.183 21 L CA -1.137 53.595 54.840 -0.179 0.000 0.933 21 L CB -0.242 41.826 42.059 0.015 0.000 1.199 21 L HN 0.480 nan 8.230 nan 0.000 0.487 22 P HA 0.205 nan 4.420 nan 0.000 0.271 22 P C -0.949 176.130 177.300 -0.368 0.000 1.216 22 P CA 0.019 62.835 63.100 -0.473 0.000 0.776 22 P CB 0.577 31.924 31.700 -0.590 0.000 0.881 23 I N 3.018 123.431 120.570 -0.261 0.000 2.509 23 I HA 0.416 4.585 4.170 -0.001 0.000 0.293 23 I C 0.309 176.331 176.117 -0.159 0.000 1.020 23 I CA -0.606 60.546 61.300 -0.247 0.000 1.088 23 I CB 1.649 39.510 38.000 -0.231 0.000 1.267 23 I HN 0.497 nan 8.210 nan 0.000 0.430 24 N N 3.737 122.355 118.700 -0.135 0.000 3.278 24 N HA 0.415 5.154 4.740 -0.001 0.000 0.307 24 N C 0.261 175.736 175.510 -0.058 0.000 1.551 24 N CA -0.450 52.551 53.050 -0.083 0.000 0.794 24 N CB 0.778 39.219 38.487 -0.077 0.000 1.770 24 N HN 0.397 nan 8.380 nan 0.000 0.612 25 A N -0.554 122.243 122.820 -0.039 0.000 2.178 25 A HA 0.093 4.413 4.320 -0.001 0.000 0.218 25 A C 1.617 179.189 177.584 -0.021 0.000 1.157 25 A CA 0.972 52.993 52.037 -0.025 0.000 0.689 25 A CB -0.918 18.069 19.000 -0.022 0.000 0.787 25 A HN 0.543 nan 8.150 nan 0.000 0.465 26 L N -1.647 119.560 121.223 -0.026 0.000 2.556 26 L HA 0.039 4.378 4.340 -0.001 0.000 0.226 26 L C 2.439 179.334 176.870 0.042 0.000 1.089 26 L CA 0.491 55.332 54.840 0.001 0.000 0.864 26 L CB -0.281 41.759 42.059 -0.031 0.000 1.067 26 L HN 0.193 nan 8.230 nan 0.000 0.477 27 S N 0.968 116.661 115.700 -0.012 0.000 2.369 27 S HA -0.203 4.266 4.470 -0.001 0.000 0.225 27 S C 1.734 176.358 174.600 0.040 0.000 1.043 27 S CA 1.854 60.031 58.200 -0.038 0.000 1.074 27 S CB -0.379 62.709 63.200 -0.187 0.000 0.962 27 S HN 0.480 nan 8.310 nan 0.000 0.433 28 N N 1.526 120.277 118.700 0.083 0.000 2.205 28 N HA -0.086 4.654 4.740 -0.001 0.000 0.186 28 N C 1.944 177.483 175.510 0.048 0.000 1.015 28 N CA 1.433 54.557 53.050 0.123 0.000 0.862 28 N CB -0.618 37.928 38.487 0.098 0.000 0.986 28 N HN 0.617 nan 8.380 nan 0.000 0.429 29 S N 0.122 115.839 115.700 0.029 0.000 2.442 29 S HA -0.080 4.389 4.470 -0.001 0.000 0.236 29 S C 1.855 176.456 174.600 0.002 0.000 1.007 29 S CA 0.570 58.760 58.200 -0.017 0.000 0.965 29 S CB -0.201 63.001 63.200 0.004 0.000 0.773 29 S HN 0.252 nan 8.310 nan 0.000 0.504 30 L N 0.017 121.267 121.223 0.044 0.000 2.286 30 L HA 0.591 4.930 4.340 -0.001 0.000 0.203 30 L C 0.162 177.081 176.870 0.082 0.000 1.068 30 L CA 0.722 55.592 54.840 0.049 0.000 0.811 30 L CB 0.270 42.126 42.059 -0.338 0.000 0.989 30 L HN 0.532 nan 8.230 nan 0.000 0.467 31 L N -1.289 119.971 121.223 0.062 0.000 2.513 31 L HA 0.430 4.770 4.340 -0.001 0.000 0.261 31 L C 0.107 177.050 176.870 0.121 0.000 0.945 31 L CA -0.685 54.196 54.840 0.068 0.000 0.848 31 L CB 1.381 43.492 42.059 0.086 0.000 1.334 31 L HN -0.063 nan 8.230 nan 0.000 0.407 32 R N 1.440 121.916 120.500 -0.040 0.000 2.146 32 R HA 0.145 4.484 4.340 -0.001 0.000 0.206 32 R C 0.176 176.344 176.300 -0.221 0.000 1.049 32 R CA 0.555 56.575 56.100 -0.133 0.000 1.029 32 R CB -0.140 30.071 30.300 -0.148 0.000 0.949 32 R HN 0.705 nan 8.270 nan 0.000 0.471 33 H N 1.280 120.298 119.070 -0.087 0.000 2.970 33 H HA 0.109 4.664 4.556 -0.001 0.000 0.226 33 H C 0.671 176.032 175.328 0.056 0.000 1.909 33 H CA -0.265 55.744 56.048 -0.065 0.000 1.388 33 H CB -0.310 29.452 29.762 -0.000 0.000 1.773 33 H HN 0.386 nan 8.280 nan 0.000 0.559 34 H N 0.662 119.823 119.070 0.151 0.000 2.426 34 H HA -0.144 4.411 4.556 -0.001 0.000 0.298 34 H C 1.440 176.842 175.328 0.124 0.000 1.107 34 H CA 0.504 56.618 56.048 0.110 0.000 1.298 34 H CB 0.286 30.089 29.762 0.068 0.000 1.377 34 H HN 0.528 nan 8.280 nan 0.000 0.519 35 N N 0.533 119.359 118.700 0.210 0.000 2.573 35 N HA -0.075 4.664 4.740 -0.001 0.000 0.187 35 N C 1.231 176.840 175.510 0.166 0.000 1.107 35 N CA 0.830 53.974 53.050 0.156 0.000 0.918 35 N CB 0.052 38.589 38.487 0.083 0.000 0.966 35 N HN 0.531 nan 8.380 nan 0.000 0.448 36 M N -0.175 119.543 119.600 0.197 0.000 2.509 36 M HA 0.097 4.576 4.480 -0.001 0.000 0.250 36 M C -0.022 176.451 176.300 0.288 0.000 1.132 36 M CA 0.282 55.706 55.300 0.207 0.000 1.080 36 M CB 0.788 33.501 32.600 0.188 0.000 1.408 36 M HN -0.252 nan 8.290 nan 0.000 0.484 37 V N 1.304 121.397 119.914 0.298 0.000 2.427 37 V HA 0.356 4.475 4.120 -0.001 0.000 0.286 37 V C -0.796 175.549 176.094 0.418 0.000 1.034 37 V CA -0.723 61.769 62.300 0.320 0.000 0.893 37 V CB 0.746 32.729 31.823 0.267 0.000 0.982 37 V HN 0.313 nan 8.190 nan 0.000 0.452 38 Y N 2.615 123.060 120.300 0.242 0.000 2.644 38 Y HA 0.934 5.483 4.550 -0.001 0.000 0.338 38 Y C -0.506 175.484 175.900 0.151 0.000 1.119 38 Y CA -1.612 56.638 58.100 0.249 0.000 1.060 38 Y CB 1.625 40.195 38.460 0.183 0.000 1.294 38 Y HN 0.697 nan 8.280 nan 0.000 0.472 39 A N 1.313 124.168 122.820 0.059 0.000 2.355 39 A HA 0.674 4.994 4.320 -0.001 0.000 0.317 39 A C -0.267 177.340 177.584 0.039 0.000 1.094 39 A CA -0.422 51.450 52.037 -0.275 0.000 0.764 39 A CB 0.600 19.218 19.000 -0.636 0.000 1.230 39 A HN 1.121 nan 8.150 nan 0.000 0.448 40 T N 0.195 114.764 114.554 0.025 0.000 2.918 40 T HA 0.572 4.922 4.350 -0.001 0.000 0.302 40 T C 0.413 175.159 174.700 0.078 0.000 1.045 40 T CA 0.420 62.615 62.100 0.159 0.000 1.114 40 T CB 0.751 69.734 68.868 0.192 0.000 0.965 40 T HN 1.469 nan 8.240 nan 0.000 0.540 41 T N -1.962 112.649 114.554 0.095 0.000 2.838 41 T HA 0.484 4.833 4.350 -0.001 0.000 0.292 41 T C 1.407 176.139 174.700 0.054 0.000 1.113 41 T CA -0.255 61.885 62.100 0.067 0.000 1.008 41 T CB 1.258 70.173 68.868 0.079 0.000 1.259 41 T HN 0.741 nan 8.240 nan 0.000 0.520 42 S N 0.142 115.867 115.700 0.042 0.000 2.440 42 S HA -0.147 4.323 4.470 -0.001 0.000 0.238 42 S C 1.802 176.410 174.600 0.013 0.000 1.010 42 S CA 0.450 58.665 58.200 0.025 0.000 0.972 42 S CB -0.728 62.487 63.200 0.024 0.000 0.774 42 S HN 0.703 nan 8.310 nan 0.000 0.501 43 R N 1.515 122.030 120.500 0.025 0.000 2.159 43 R HA -0.066 4.273 4.340 -0.001 0.000 0.237 43 R C 2.259 178.561 176.300 0.002 0.000 1.131 43 R CA 1.592 57.701 56.100 0.015 0.000 0.982 43 R CB -0.586 29.732 30.300 0.029 0.000 0.868 43 R HN 0.762 nan 8.270 nan 0.000 0.453 44 S N -0.758 114.948 115.700 0.011 0.000 2.556 44 S HA 0.225 4.695 4.470 -0.001 0.000 0.216 44 S C 1.858 176.441 174.600 -0.028 0.000 0.970 44 S CA 0.222 58.421 58.200 -0.002 0.000 0.912 44 S CB 0.759 63.974 63.200 0.025 0.000 0.790 44 S HN 0.271 nan 8.310 nan 0.000 0.504 45 A N 2.304 125.101 122.820 -0.037 0.000 1.927 45 A HA 0.041 4.361 4.320 -0.001 0.000 0.220 45 A C 2.324 179.818 177.584 -0.150 0.000 1.185 45 A CA 1.857 53.849 52.037 -0.076 0.000 0.639 45 A CB -1.818 17.139 19.000 -0.071 0.000 0.820 45 A HN 0.680 nan 8.150 nan 0.000 0.451 46 G N -0.576 108.134 108.800 -0.150 0.000 2.442 46 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.219 46 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.219 46 G C 1.579 176.370 174.900 -0.182 0.000 1.141 46 G CA 1.009 45.988 45.100 -0.202 0.000 0.763 46 G HN 0.454 nan 8.290 nan 0.000 0.554 47 L N -0.262 120.895 121.223 -0.110 0.000 2.017 47 L HA -0.051 4.288 4.340 -0.001 0.000 0.208 47 L C 3.007 179.833 176.870 -0.073 0.000 1.073 47 L CA 1.676 56.470 54.840 -0.076 0.000 0.745 47 L CB -0.231 41.803 42.059 -0.043 0.000 0.894 47 L HN 0.226 nan 8.230 nan 0.000 0.432 48 R N 0.192 120.650 120.500 -0.070 0.000 2.091 48 R HA -0.217 4.122 4.340 -0.001 0.000 0.238 48 R C 2.207 178.456 176.300 -0.085 0.000 1.136 48 R CA 1.777 57.851 56.100 -0.043 0.000 0.959 48 R CB -0.486 29.799 30.300 -0.026 0.000 0.856 48 R HN 0.451 nan 8.270 nan 0.000 0.437 49 Q N 0.127 119.783 119.800 -0.240 0.000 2.077 49 Q HA -0.230 4.109 4.340 -0.001 0.000 0.206 49 Q C 2.007 177.896 176.000 -0.184 0.000 0.989 49 Q CA 2.315 57.855 55.803 -0.438 0.000 0.853 49 Q CB -0.196 27.948 28.738 -0.989 0.000 0.907 49 Q HN 0.407 nan 8.270 nan 0.000 0.418 50 K N 0.737 121.054 120.400 -0.139 0.000 2.057 50 K HA -0.123 4.197 4.320 -0.001 0.000 0.207 50 K C 2.039 178.702 176.600 0.104 0.000 1.049 50 K CA 1.081 57.362 56.287 -0.010 0.000 0.931 50 K CB -0.044 32.437 32.500 -0.031 0.000 0.714 50 K HN 0.105 nan 8.250 nan 0.000 0.440 51 K N 0.778 121.235 120.400 0.094 0.000 2.057 51 K HA -0.088 4.232 4.320 -0.001 0.000 0.206 51 K C 1.988 178.782 176.600 0.322 0.000 1.050 51 K CA 1.510 57.896 56.287 0.166 0.000 0.935 51 K CB -0.070 32.497 32.500 0.112 0.000 0.715 51 K HN 0.124 nan 8.250 nan 0.000 0.439 52 V N -1.029 119.054 119.914 0.281 0.000 3.573 52 V HA 0.044 4.163 4.120 -0.001 0.000 0.270 52 V C 0.278 176.558 176.094 0.310 0.000 1.221 52 V CA 0.304 62.816 62.300 0.354 0.000 1.163 52 V CB -0.293 31.694 31.823 0.274 0.000 0.847 52 V HN -0.030 nan 8.190 nan 0.000 0.468 53 T N 4.267 119.041 114.554 0.367 0.000 2.753 53 T HA 0.723 5.072 4.350 -0.001 0.000 0.297 53 T C -0.755 174.151 174.700 0.343 0.000 0.981 53 T CA -0.050 62.249 62.100 0.331 0.000 0.956 53 T CB 0.245 69.388 68.868 0.459 0.000 0.936 53 T HN 0.639 nan 8.240 nan 0.000 0.463 54 F N -0.070 120.027 119.950 0.245 0.000 2.773 54 F HA 0.632 5.160 4.527 0.000 0.000 0.314 54 F C -1.151 174.808 175.800 0.266 0.000 1.160 54 F CA -1.740 56.386 58.000 0.210 0.000 0.920 54 F CB 0.733 39.825 39.000 0.153 0.000 1.323 54 F HN 0.246 nan 8.300 nan 0.000 0.457 55 D N 0.743 121.467 120.400 0.540 0.000 2.304 55 D HA 0.514 5.154 4.640 -0.001 0.000 0.250 55 D C -0.847 175.642 176.300 0.315 0.000 1.107 55 D CA 0.020 54.237 54.000 0.362 0.000 0.885 55 D CB 0.844 41.815 40.800 0.285 0.000 1.192 55 D HN 0.571 nan 8.370 nan 0.000 0.436 56 R N 2.366 122.974 120.500 0.181 0.000 2.589 56 R HA 0.683 5.022 4.340 -0.001 0.000 0.293 56 R C -0.864 175.436 176.300 0.000 0.000 0.963 56 R CA -0.593 55.585 56.100 0.130 0.000 0.905 56 R CB 1.288 31.635 30.300 0.080 0.000 1.144 56 R HN 0.427 nan 8.270 nan 0.000 0.459 57 L N 1.992 123.203 121.223 -0.021 0.000 2.410 57 L HA 0.494 4.833 4.340 -0.001 0.000 0.270 57 L C -0.686 176.132 176.870 -0.087 0.000 0.983 57 L CA -0.656 54.126 54.840 -0.097 0.000 0.822 57 L CB 2.279 44.303 42.059 -0.057 0.000 1.285 57 L HN 0.427 nan 8.230 nan 0.000 0.409 58 Q N 2.477 122.200 119.800 -0.129 0.000 2.321 58 Q HA 0.545 4.884 4.340 -0.001 0.000 0.270 58 Q C -1.433 174.503 176.000 -0.106 0.000 1.032 58 Q CA -0.627 55.114 55.803 -0.103 0.000 0.784 58 Q CB 3.570 32.231 28.738 -0.129 0.000 1.264 58 Q HN 0.321 nan 8.270 nan 0.000 0.448 59 V N 4.774 124.647 119.914 -0.069 0.000 2.349 59 V HA 0.385 4.505 4.120 -0.001 0.000 0.284 59 V C -0.598 175.482 176.094 -0.024 0.000 1.014 59 V CA -0.485 61.777 62.300 -0.063 0.000 0.826 59 V CB 1.205 32.991 31.823 -0.062 0.000 1.009 59 V HN 0.617 nan 8.190 nan 0.000 0.431 60 L N 5.817 126.980 121.223 -0.100 0.000 2.272 60 L HA 0.582 4.921 4.340 -0.001 0.000 0.289 60 L C -0.014 176.843 176.870 -0.021 0.000 1.032 60 L CA -0.588 54.152 54.840 -0.166 0.000 0.810 60 L CB 1.463 43.232 42.059 -0.484 0.000 1.205 60 L HN 0.666 nan 8.230 nan 0.000 0.422 61 D N 0.496 120.967 120.400 0.119 0.000 2.564 61 D HA 0.137 4.776 4.640 -0.001 0.000 0.273 61 D C 0.258 176.614 176.300 0.093 0.000 1.192 61 D CA -0.616 53.441 54.000 0.095 0.000 1.080 61 D CB 0.733 41.603 40.800 0.116 0.000 1.160 61 D HN 0.370 nan 8.370 nan 0.000 0.607 62 D N -1.499 118.896 120.400 -0.007 0.000 2.144 62 D HA -0.150 4.489 4.640 -0.001 0.000 0.199 62 D C 1.785 178.084 176.300 -0.002 0.000 0.984 62 D CA 1.151 55.125 54.000 -0.044 0.000 0.834 62 D CB -0.046 40.671 40.800 -0.138 0.000 0.955 62 D HN 0.376 nan 8.370 nan 0.000 0.465 63 H N -0.802 118.329 119.070 0.103 0.000 2.352 63 H HA -0.168 4.387 4.556 -0.001 0.000 0.299 63 H C 1.902 177.269 175.328 0.065 0.000 1.097 63 H CA 1.222 57.322 56.048 0.088 0.000 1.311 63 H CB -0.673 29.163 29.762 0.125 0.000 1.377 63 H HN 0.334 nan 8.280 nan 0.000 0.504 64 Y N 1.952 122.289 120.300 0.062 0.000 2.114 64 Y HA -0.219 4.330 4.550 -0.001 0.000 0.284 64 Y C 2.704 178.551 175.900 -0.089 0.000 1.143 64 Y CA 1.643 59.655 58.100 -0.147 0.000 1.135 64 Y CB -0.134 38.143 38.460 -0.305 0.000 0.980 64 Y HN -0.060 nan 8.280 nan 0.000 0.499 65 R N 0.113 120.716 120.500 0.171 0.000 2.120 65 R HA -0.150 4.189 4.340 -0.001 0.000 0.234 65 R C 1.763 178.050 176.300 -0.022 0.000 1.123 65 R CA 1.404 57.541 56.100 0.061 0.000 0.975 65 R CB -0.327 30.034 30.300 0.102 0.000 0.866 65 R HN 0.444 nan 8.270 nan 0.000 0.446 66 D N 0.134 120.537 120.400 0.005 0.000 2.097 66 D HA -0.119 4.521 4.640 -0.001 0.000 0.195 66 D C 1.980 178.264 176.300 -0.028 0.000 0.989 66 D CA 1.054 55.056 54.000 0.004 0.000 0.827 66 D CB -0.208 40.620 40.800 0.047 0.000 0.966 66 D HN -0.008 nan 8.370 nan 0.000 0.456 67 V N 1.227 121.104 119.914 -0.061 0.000 2.343 67 V HA -0.207 3.913 4.120 -0.001 0.000 0.247 67 V C 2.470 178.489 176.094 -0.126 0.000 1.051 67 V CA 1.017 63.260 62.300 -0.096 0.000 1.036 67 V CB -0.437 31.291 31.823 -0.159 0.000 0.654 67 V HN 0.134 nan 8.190 nan 0.000 0.451 68 L N 0.596 121.683 121.223 -0.226 0.000 2.042 68 L HA -0.191 4.148 4.340 -0.001 0.000 0.210 68 L C 2.401 179.205 176.870 -0.110 0.000 1.076 68 L CA 2.226 56.933 54.840 -0.222 0.000 0.749 68 L CB -0.877 40.992 42.059 -0.318 0.000 0.893 68 L HN 0.281 nan 8.230 nan 0.000 0.432 69 K N -0.541 119.814 120.400 -0.076 0.000 2.063 69 K HA -0.224 4.095 4.320 -0.001 0.000 0.208 69 K C 1.952 178.535 176.600 -0.030 0.000 1.048 69 K CA 1.909 58.171 56.287 -0.042 0.000 0.928 69 K CB -0.097 32.389 32.500 -0.024 0.000 0.713 69 K HN 0.521 nan 8.250 nan 0.000 0.442 70 E N 0.156 120.342 120.200 -0.023 0.000 2.047 70 E HA -0.173 4.176 4.350 -0.001 0.000 0.191 70 E C 2.110 178.707 176.600 -0.004 0.000 0.987 70 E CA 1.592 57.990 56.400 -0.003 0.000 0.799 70 E CB -0.055 29.654 29.700 0.015 0.000 0.752 70 E HN 0.335 nan 8.360 nan 0.000 0.449 71 M N 0.640 120.236 119.600 -0.007 0.000 2.080 71 M HA -0.199 4.280 4.480 -0.001 0.000 0.260 71 M C 2.161 178.435 176.300 -0.043 0.000 1.068 71 M CA 1.542 56.832 55.300 -0.017 0.000 1.109 71 M CB -0.242 32.348 32.600 -0.017 0.000 1.342 71 M HN -0.049 nan 8.290 nan 0.000 0.405 72 K N 0.396 120.767 120.400 -0.048 0.000 2.057 72 K HA -0.103 4.217 4.320 -0.001 0.000 0.207 72 K C 2.150 178.732 176.600 -0.030 0.000 1.049 72 K CA 1.433 57.693 56.287 -0.044 0.000 0.931 72 K CB -0.329 32.146 32.500 -0.043 0.000 0.714 72 K HN 0.315 nan 8.250 nan 0.000 0.440 73 A N 1.963 124.769 122.820 -0.024 0.000 1.908 73 A HA -0.224 4.095 4.320 -0.001 0.000 0.218 73 A C 1.902 179.475 177.584 -0.019 0.000 1.181 73 A CA 1.654 53.681 52.037 -0.016 0.000 0.627 73 A CB -0.287 18.707 19.000 -0.010 0.000 0.818 73 A HN 0.212 nan 8.150 nan 0.000 0.445 74 K N -0.576 119.809 120.400 -0.025 0.000 2.103 74 K HA 0.074 4.393 4.320 -0.001 0.000 0.204 74 K C 2.241 178.818 176.600 -0.040 0.000 1.052 74 K CA 0.860 57.127 56.287 -0.034 0.000 0.945 74 K CB -0.275 32.198 32.500 -0.046 0.000 0.722 74 K HN 0.420 nan 8.250 nan 0.000 0.443 75 A N 1.107 123.902 122.820 -0.042 0.000 2.024 75 A HA -0.133 4.186 4.320 -0.001 0.000 0.220 75 A C 2.009 179.582 177.584 -0.018 0.000 1.164 75 A CA 1.606 53.621 52.037 -0.036 0.000 0.643 75 A CB -0.380 18.598 19.000 -0.036 0.000 0.806 75 A HN 0.143 nan 8.150 nan 0.000 0.451 76 S N -0.541 115.149 115.700 -0.016 0.000 2.515 76 S HA -0.066 4.404 4.470 -0.001 0.000 0.231 76 S C 1.878 176.473 174.600 -0.007 0.000 0.987 76 S CA 1.367 59.562 58.200 -0.007 0.000 0.936 76 S CB -0.350 62.846 63.200 -0.007 0.000 0.766 76 S HN 0.905 nan 8.310 nan 0.000 0.528 77 T N -0.897 113.649 114.554 -0.014 0.000 3.100 77 T HA 0.205 4.554 4.350 -0.001 0.000 0.253 77 T C 0.513 175.204 174.700 -0.014 0.000 1.118 77 T CA -0.109 61.984 62.100 -0.013 0.000 1.058 77 T CB -0.242 68.615 68.868 -0.017 0.000 0.953 77 T HN 0.008 nan 8.240 nan 0.000 0.515 78 V N 1.856 121.761 119.914 -0.015 0.000 2.583 78 V HA 0.409 4.529 4.120 -0.001 0.000 0.287 78 V C 0.079 176.171 176.094 -0.004 0.000 1.051 78 V CA -0.715 61.576 62.300 -0.016 0.000 1.010 78 V CB 1.227 33.036 31.823 -0.022 0.000 0.988 78 V HN 0.384 nan 8.190 nan 0.000 0.478 79 K N 3.411 123.809 120.400 -0.004 0.000 2.450 79 K HA 0.748 5.067 4.320 -0.001 0.000 0.257 79 K C -0.750 175.853 176.600 0.005 0.000 0.953 79 K CA -0.401 55.889 56.287 0.005 0.000 0.844 79 K CB 1.532 34.035 32.500 0.005 0.000 1.103 79 K HN 0.840 nan 8.250 nan 0.000 0.429 80 A N 4.000 126.827 122.820 0.012 0.000 2.355 80 A HA 0.521 4.840 4.320 -0.001 0.000 0.324 80 A C -1.137 176.463 177.584 0.027 0.000 1.117 80 A CA -0.909 51.136 52.037 0.013 0.000 0.785 80 A CB 0.867 19.872 19.000 0.008 0.000 1.254 80 A HN 0.827 nan 8.150 nan 0.000 0.453 81 K N 1.317 121.735 120.400 0.031 0.000 2.118 81 K HA 0.701 5.020 4.320 -0.001 0.000 0.254 81 K C -1.019 175.608 176.600 0.044 0.000 0.961 81 K CA -0.740 55.568 56.287 0.035 0.000 0.876 81 K CB 1.319 33.837 32.500 0.030 0.000 1.077 81 K HN 0.376 nan 8.250 nan 0.000 0.440 82 L N 2.907 124.153 121.223 0.038 0.000 2.331 82 L HA 0.230 4.569 4.340 -0.001 0.000 0.278 82 L C -0.840 176.017 176.870 -0.022 0.000 1.106 82 L CA -0.506 54.351 54.840 0.029 0.000 0.824 82 L CB 0.649 42.731 42.059 0.039 0.000 1.142 82 L HN 0.638 nan 8.230 nan 0.000 0.443 83 L N 3.548 124.741 121.223 -0.050 0.000 2.399 83 L HA 0.443 4.782 4.340 -0.001 0.000 0.266 83 L C 0.445 177.203 176.870 -0.186 0.000 1.114 83 L CA 0.358 55.145 54.840 -0.087 0.000 0.804 83 L CB 1.425 43.440 42.059 -0.073 0.000 1.146 83 L HN 0.858 nan 8.230 nan 0.000 0.451 84 S N 1.175 116.775 115.700 -0.167 0.000 2.632 84 S HA 0.287 4.757 4.470 -0.001 0.000 0.271 84 S C 1.205 175.655 174.600 -0.251 0.000 1.260 84 S CA -0.672 57.407 58.200 -0.203 0.000 1.010 84 S CB 1.125 64.247 63.200 -0.131 0.000 0.965 84 S HN 0.346 nan 8.310 nan 0.000 0.534 85 V N 1.582 121.314 119.914 -0.303 0.000 2.332 85 V HA -0.193 3.927 4.120 -0.001 0.000 0.248 85 V C 2.773 178.742 176.094 -0.209 0.000 1.055 85 V CA 2.442 64.550 62.300 -0.321 0.000 1.038 85 V CB -1.288 30.288 31.823 -0.412 0.000 0.651 85 V HN 1.066 nan 8.190 nan 0.000 0.450 86 E N 0.184 120.292 120.200 -0.154 0.000 2.051 86 E HA -0.262 4.087 4.350 -0.001 0.000 0.192 86 E C 2.160 178.679 176.600 -0.135 0.000 0.991 86 E CA 1.663 57.991 56.400 -0.121 0.000 0.799 86 E CB -0.106 29.542 29.700 -0.088 0.000 0.748 86 E HN 0.736 nan 8.360 nan 0.000 0.449 87 E N 0.346 120.461 120.200 -0.143 0.000 2.038 87 E HA -0.218 4.131 4.350 -0.001 0.000 0.195 87 E C 2.135 178.608 176.600 -0.212 0.000 1.000 87 E CA 1.089 57.395 56.400 -0.158 0.000 0.803 87 E CB -0.232 29.386 29.700 -0.138 0.000 0.750 87 E HN 0.386 nan 8.360 nan 0.000 0.448 88 A N 0.874 123.564 122.820 -0.217 0.000 1.908 88 A HA -0.229 4.091 4.320 -0.001 0.000 0.218 88 A C 2.452 179.914 177.584 -0.204 0.000 1.181 88 A CA 1.397 53.294 52.037 -0.232 0.000 0.627 88 A CB -0.991 17.891 19.000 -0.197 0.000 0.818 88 A HN 0.386 nan 8.150 nan 0.000 0.445 89 C N -0.295 118.904 119.300 -0.169 0.000 2.413 89 C HA -0.079 4.381 4.460 -0.001 0.000 0.276 89 C C 2.619 177.522 174.990 -0.145 0.000 1.248 89 C CA 1.277 60.214 59.018 -0.134 0.000 1.742 89 C CB -0.760 26.910 27.740 -0.116 0.000 2.017 89 C HN 0.519 nan 8.230 nan 0.000 0.481 90 K N 0.900 121.204 120.400 -0.159 0.000 2.280 90 K HA 0.010 4.329 4.320 -0.001 0.000 0.202 90 K C 1.456 177.939 176.600 -0.196 0.000 1.047 90 K CA 0.945 57.141 56.287 -0.152 0.000 0.942 90 K CB -0.475 31.939 32.500 -0.143 0.000 0.739 90 K HN 0.556 nan 8.250 nan 0.000 0.457 91 L N 1.102 122.158 121.223 -0.278 0.000 2.591 91 L HA 0.015 4.354 4.340 -0.001 0.000 0.228 91 L C 0.309 177.042 176.870 -0.228 0.000 1.133 91 L CA 0.126 54.741 54.840 -0.375 0.000 0.880 91 L CB -0.248 41.483 42.059 -0.548 0.000 1.033 91 L HN -0.093 nan 8.230 nan 0.000 0.450 92 T N 1.663 116.116 114.554 -0.168 0.000 2.761 92 T HA 0.208 4.557 4.350 -0.001 0.000 0.296 92 T C -2.309 172.265 174.700 -0.210 0.000 0.934 92 T CA -1.153 60.860 62.100 -0.145 0.000 1.091 92 T CB 0.967 69.766 68.868 -0.116 0.000 0.896 92 T HN -0.146 nan 8.240 nan 0.000 0.515 93 P HA 0.103 nan 4.420 nan 0.000 0.264 93 P C -1.839 175.200 177.300 -0.435 0.000 1.193 93 P CA -1.210 61.665 63.100 -0.376 0.000 0.763 93 P CB 0.227 31.834 31.700 -0.155 0.000 0.810 94 P HA -0.192 nan 4.420 nan 0.000 0.217 94 P C 0.275 177.233 177.300 -0.571 0.000 1.151 94 P CA 1.765 64.518 63.100 -0.578 0.000 0.849 94 P CB -0.165 31.161 31.700 -0.623 0.000 0.787 95 H N -2.643 116.307 119.070 -0.201 0.000 2.486 95 H HA 0.288 4.843 4.556 -0.001 0.000 0.284 95 H C 0.404 175.658 175.328 -0.124 0.000 1.103 95 H CA -0.331 55.638 56.048 -0.131 0.000 1.089 95 H CB -0.131 29.570 29.762 -0.101 0.000 1.603 95 H HN -0.030 nan 8.280 nan 0.000 0.557 96 S N 1.306 116.956 115.700 -0.083 0.000 2.560 96 S HA 0.314 4.783 4.470 -0.001 0.000 0.284 96 S C 0.838 175.389 174.600 -0.082 0.000 1.327 96 S CA -0.453 57.689 58.200 -0.097 0.000 1.055 96 S CB 0.194 63.331 63.200 -0.105 0.000 0.868 96 S HN 0.538 nan 8.310 nan 0.000 0.506 97 A N 4.531 127.281 122.820 -0.117 0.000 2.587 97 A HA 0.170 4.490 4.320 -0.001 0.000 0.235 97 A C 0.589 178.152 177.584 -0.036 0.000 1.044 97 A CA 0.236 52.231 52.037 -0.070 0.000 0.754 97 A CB -0.274 18.672 19.000 -0.090 0.000 0.968 97 A HN 0.896 nan 8.150 nan 0.000 0.509 98 K N 2.347 122.725 120.400 -0.038 0.000 2.258 98 K HA 0.397 4.717 4.320 -0.001 0.000 0.264 98 K C 0.380 176.898 176.600 -0.138 0.000 1.007 98 K CA 0.064 56.298 56.287 -0.089 0.000 0.941 98 K CB 0.633 33.083 32.500 -0.082 0.000 0.966 98 K HN 0.483 nan 8.250 nan 0.000 0.480 99 S N 0.659 116.169 115.700 -0.317 0.000 2.584 99 S HA 0.043 4.513 4.470 -0.001 0.000 0.270 99 S C 0.417 174.809 174.600 -0.347 0.000 1.346 99 S CA -0.419 57.549 58.200 -0.386 0.000 1.018 99 S CB 0.514 63.141 63.200 -0.955 0.000 0.899 99 S HN 0.698 nan 8.310 nan 0.000 0.542 100 K N 1.697 121.857 120.400 -0.400 0.000 2.444 100 K HA 0.145 4.464 4.320 -0.001 0.000 0.193 100 K C -0.405 175.748 176.600 -0.746 0.000 1.024 100 K CA 0.425 56.378 56.287 -0.555 0.000 1.077 100 K CB 0.046 32.153 32.500 -0.655 0.000 0.833 100 K HN 0.542 nan 8.250 nan 0.000 0.517 101 F N 0.624 120.411 119.950 -0.272 0.000 2.983 101 F HA 0.281 4.807 4.527 -0.001 0.000 0.307 101 F C 0.952 176.680 175.800 -0.121 0.000 1.218 101 F CA -0.767 57.088 58.000 -0.242 0.000 1.323 101 F CB 0.688 39.401 39.000 -0.477 0.000 0.989 101 F HN 0.060 nan 8.300 nan 0.000 0.509 102 G N 0.990 109.779 108.800 -0.019 0.000 2.212 102 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.255 102 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.255 102 G C -0.480 174.535 174.900 0.192 0.000 1.062 102 G CA 0.273 45.415 45.100 0.071 0.000 0.815 102 G HN 0.693 nan 8.290 nan 0.000 0.497 103 Y N -3.394 116.905 120.300 -0.001 0.000 2.662 103 Y HA 0.663 5.212 4.550 -0.001 0.000 0.334 103 Y C 0.208 176.111 175.900 0.005 0.000 1.185 103 Y CA -0.917 57.185 58.100 0.004 0.000 1.074 103 Y CB 0.338 38.808 38.460 0.016 0.000 1.330 103 Y HN 0.821 nan 8.280 nan 0.000 0.458 104 G N 0.111 108.992 108.800 0.135 0.000 3.108 104 G HA2 0.567 4.526 3.960 -0.001 0.000 0.268 104 G HA3 0.567 4.526 3.960 -0.001 0.000 0.268 104 G C 0.304 175.252 174.900 0.080 0.000 1.361 104 G CA -0.785 44.333 45.100 0.029 0.000 1.047 104 G HN 1.317 nan 8.290 nan 0.000 0.540 105 A N -0.475 122.340 122.820 -0.010 0.000 1.978 105 A HA -0.028 4.292 4.320 -0.001 0.000 0.220 105 A C 2.273 179.813 177.584 -0.074 0.000 1.170 105 A CA 1.802 53.810 52.037 -0.049 0.000 0.636 105 A CB -0.317 18.608 19.000 -0.126 0.000 0.810 105 A HN 0.389 nan 8.150 nan 0.000 0.448 106 K N 0.150 120.501 120.400 -0.081 0.000 2.097 106 K HA -0.107 4.212 4.320 -0.001 0.000 0.205 106 K C 1.427 178.003 176.600 -0.041 0.000 1.050 106 K CA 1.383 57.615 56.287 -0.090 0.000 0.938 106 K CB -0.468 31.978 32.500 -0.089 0.000 0.718 106 K HN 0.544 nan 8.250 nan 0.000 0.442 107 D N 0.512 120.922 120.400 0.016 0.000 2.144 107 D HA -0.112 4.528 4.640 -0.001 0.000 0.200 107 D C 2.045 178.342 176.300 -0.004 0.000 0.978 107 D CA 0.754 54.770 54.000 0.025 0.000 0.833 107 D CB -0.042 40.818 40.800 0.100 0.000 0.961 107 D HN -0.096 nan 8.370 nan 0.000 0.470 108 V N 1.429 121.365 119.914 0.037 0.000 2.261 108 V HA -0.223 3.896 4.120 -0.001 0.000 0.246 108 V C 2.497 178.560 176.094 -0.052 0.000 1.047 108 V CA 1.549 63.850 62.300 0.001 0.000 1.015 108 V CB -0.370 31.489 31.823 0.059 0.000 0.642 108 V HN 0.118 nan 8.190 nan 0.000 0.446 109 R N 0.118 120.576 120.500 -0.069 0.000 2.152 109 R HA -0.117 4.222 4.340 -0.001 0.000 0.232 109 R C 1.753 178.008 176.300 -0.075 0.000 1.117 109 R CA 1.588 57.633 56.100 -0.091 0.000 0.981 109 R CB -0.410 29.814 30.300 -0.126 0.000 0.870 109 R HN 0.640 nan 8.270 nan 0.000 0.451 110 N N 0.599 119.261 118.700 -0.064 0.000 2.398 110 N HA 0.094 4.833 4.740 -0.001 0.000 0.188 110 N C -0.207 175.271 175.510 -0.054 0.000 1.122 110 N CA -0.076 52.941 53.050 -0.054 0.000 0.866 110 N CB 0.323 38.782 38.487 -0.046 0.000 0.970 110 N HN 0.039 nan 8.380 nan 0.000 0.462 111 L N 0.758 121.943 121.223 -0.063 0.000 3.865 111 L HA -0.231 4.108 4.340 -0.001 0.000 0.408 111 L C 0.263 177.095 176.870 -0.065 0.000 1.209 111 L CA -0.243 54.557 54.840 -0.067 0.000 0.940 111 L CB -2.685 39.339 42.059 -0.058 0.000 1.971 111 L HN 0.199 nan 8.230 nan 0.000 0.899 112 S N -0.563 115.096 115.700 -0.069 0.000 2.558 112 S HA 0.186 4.655 4.470 -0.001 0.000 0.288 112 S C 1.561 176.111 174.600 -0.083 0.000 1.318 112 S CA 0.021 58.182 58.200 -0.065 0.000 1.056 112 S CB 1.617 64.782 63.200 -0.058 0.000 0.853 112 S HN 0.515 nan 8.310 nan 0.000 0.505 113 S N 3.178 118.842 115.700 -0.060 0.000 2.387 113 S HA -0.268 4.202 4.470 -0.001 0.000 0.230 113 S C 1.684 176.240 174.600 -0.074 0.000 1.035 113 S CA 1.370 59.536 58.200 -0.055 0.000 1.014 113 S CB -0.636 62.541 63.200 -0.039 0.000 0.836 113 S HN 0.877 nan 8.310 nan 0.000 0.466 114 K N 1.728 122.074 120.400 -0.089 0.000 2.002 114 K HA -0.016 4.304 4.320 -0.001 0.000 0.209 114 K C 2.411 178.845 176.600 -0.278 0.000 1.048 114 K CA 1.200 57.421 56.287 -0.110 0.000 0.930 114 K CB -0.665 31.798 32.500 -0.062 0.000 0.714 114 K HN 0.433 nan 8.250 nan 0.000 0.438 115 A N 0.623 123.163 122.820 -0.466 0.000 1.877 115 A HA -0.108 4.212 4.320 -0.001 0.000 0.216 115 A C 2.255 179.586 177.584 -0.421 0.000 1.186 115 A CA 1.671 53.161 52.037 -0.912 0.000 0.620 115 A CB -0.716 17.892 19.000 -0.653 0.000 0.822 115 A HN 0.186 nan 8.150 nan 0.000 0.443 116 V N 1.135 120.926 119.914 -0.205 0.000 2.407 116 V HA -0.257 3.862 4.120 -0.001 0.000 0.248 116 V C 2.251 178.377 176.094 0.054 0.000 1.055 116 V CA 2.123 64.384 62.300 -0.066 0.000 1.049 116 V CB -0.972 30.845 31.823 -0.010 0.000 0.662 116 V HN 0.556 nan 8.190 nan 0.000 0.455 117 N N -0.653 118.055 118.700 0.013 0.000 2.188 117 N HA -0.163 4.576 4.740 -0.001 0.000 0.184 117 N C 1.869 177.418 175.510 0.065 0.000 1.018 117 N CA 1.447 54.527 53.050 0.050 0.000 0.858 117 N CB -0.550 37.943 38.487 0.009 0.000 0.989 117 N HN 0.647 nan 8.380 nan 0.000 0.426 118 H N 0.835 119.862 119.070 -0.070 0.000 2.389 118 H HA 0.065 4.621 4.556 -0.001 0.000 0.299 118 H C 2.007 177.332 175.328 -0.004 0.000 1.081 118 H CA 0.859 56.883 56.048 -0.039 0.000 1.345 118 H CB 0.105 29.873 29.762 0.010 0.000 1.393 118 H HN 0.118 nan 8.280 nan 0.000 0.520 119 I N 0.217 120.716 120.570 -0.117 0.000 2.179 119 I HA -0.290 3.880 4.170 -0.001 0.000 0.242 119 I C 2.311 178.355 176.117 -0.122 0.000 1.088 119 I CA 1.448 62.659 61.300 -0.147 0.000 1.357 119 I CB -0.433 37.483 38.000 -0.139 0.000 1.051 119 I HN 0.304 nan 8.210 nan 0.000 0.409 120 H N -0.653 118.375 119.070 -0.070 0.000 2.421 120 H HA -0.165 4.390 4.556 -0.001 0.000 0.298 120 H C 2.542 177.881 175.328 0.019 0.000 1.087 120 H CA 1.798 57.841 56.048 -0.009 0.000 1.330 120 H CB 0.015 29.757 29.762 -0.033 0.000 1.388 120 H HN 0.186 nan 8.280 nan 0.000 0.526 121 S N -0.467 115.259 115.700 0.044 0.000 2.356 121 S HA -0.133 4.336 4.470 -0.001 0.000 0.223 121 S C 2.270 176.812 174.600 -0.096 0.000 1.032 121 S CA 1.210 59.387 58.200 -0.038 0.000 1.005 121 S CB -0.407 62.736 63.200 -0.095 0.000 0.867 121 S HN 0.211 nan 8.310 nan 0.000 0.449 122 V N 1.287 121.077 119.914 -0.206 0.000 2.427 122 V HA -0.135 3.984 4.120 -0.001 0.000 0.248 122 V C 2.026 178.112 176.094 -0.013 0.000 1.051 122 V CA 1.708 63.908 62.300 -0.167 0.000 1.048 122 V CB -0.860 30.835 31.823 -0.214 0.000 0.666 122 V HN 0.701 nan 8.190 nan 0.000 0.456 123 W N 1.406 122.624 121.300 -0.135 0.000 2.355 123 W HA -0.227 4.432 4.660 -0.001 0.000 0.309 123 W C 2.529 179.013 176.519 -0.059 0.000 1.206 123 W CA 2.287 59.577 57.345 -0.091 0.000 1.284 123 W CB -0.134 29.268 29.460 -0.098 0.000 1.145 123 W HN 0.226 nan 8.180 nan 0.000 0.502 124 K N 0.585 121.038 120.400 0.087 0.000 2.063 124 K HA -0.279 4.040 4.320 -0.001 0.000 0.208 124 K C 1.707 178.246 176.600 -0.101 0.000 1.048 124 K CA 2.292 58.574 56.287 -0.009 0.000 0.928 124 K CB -0.626 31.903 32.500 0.050 0.000 0.713 124 K HN 0.021 nan 8.250 nan 0.000 0.442 125 D N 0.289 120.634 120.400 -0.092 0.000 2.178 125 D HA -0.138 4.501 4.640 -0.001 0.000 0.201 125 D C 1.957 178.169 176.300 -0.147 0.000 0.980 125 D CA 0.879 54.819 54.000 -0.101 0.000 0.842 125 D CB 0.076 40.825 40.800 -0.086 0.000 0.948 125 D HN 0.223 nan 8.370 nan 0.000 0.472 126 L N -0.183 120.909 121.223 -0.219 0.000 2.093 126 L HA -0.098 4.242 4.340 -0.001 0.000 0.208 126 L C 2.368 179.054 176.870 -0.307 0.000 1.085 126 L CA 0.570 55.241 54.840 -0.281 0.000 0.755 126 L CB -0.255 41.561 42.059 -0.405 0.000 0.904 126 L HN 0.217 nan 8.230 nan 0.000 0.435 127 L N -0.804 120.207 121.223 -0.352 0.000 2.109 127 L HA -0.146 4.193 4.340 -0.001 0.000 0.207 127 L C 2.248 179.022 176.870 -0.159 0.000 1.086 127 L CA 1.160 55.833 54.840 -0.280 0.000 0.760 127 L CB -0.314 41.581 42.059 -0.274 0.000 0.910 127 L HN 0.285 nan 8.230 nan 0.000 0.437 128 E N -1.140 118.983 120.200 -0.128 0.000 2.250 128 E HA -0.047 4.303 4.350 -0.001 0.000 0.192 128 E C 0.246 176.802 176.600 -0.074 0.000 0.986 128 E CA 0.166 56.517 56.400 -0.082 0.000 0.849 128 E CB 0.358 30.021 29.700 -0.062 0.000 0.797 128 E HN 0.183 nan 8.360 nan 0.000 0.482 129 D N 0.576 120.924 120.400 -0.087 0.000 2.481 129 D HA 0.060 4.699 4.640 -0.001 0.000 0.246 129 D C -0.163 176.087 176.300 -0.083 0.000 1.109 129 D CA -0.258 53.700 54.000 -0.071 0.000 0.845 129 D CB 1.479 42.243 40.800 -0.061 0.000 1.160 129 D HN -0.029 nan 8.370 nan 0.000 0.534 130 T N 0.392 114.906 114.554 -0.068 0.000 3.228 130 T HA 0.255 4.605 4.350 -0.001 0.000 0.278 130 T C 0.891 175.561 174.700 -0.049 0.000 1.014 130 T CA -0.181 61.878 62.100 -0.069 0.000 0.904 130 T CB 0.178 69.009 68.868 -0.062 0.000 1.110 130 T HN 0.136 nan 8.240 nan 0.000 0.541 131 V N 0.105 119.994 119.914 -0.040 0.000 3.251 131 V HA 0.196 4.316 4.120 -0.001 0.000 0.239 131 V C 0.936 177.021 176.094 -0.016 0.000 1.332 131 V CA 0.239 62.525 62.300 -0.025 0.000 1.224 131 V CB 0.206 32.017 31.823 -0.019 0.000 1.004 131 V HN 0.476 nan 8.190 nan 0.000 0.464 132 T N 4.088 118.631 114.554 -0.019 0.000 2.761 132 T HA 0.187 4.537 4.350 -0.001 0.000 0.287 132 T C -2.437 172.261 174.700 -0.003 0.000 0.931 132 T CA -0.556 61.541 62.100 -0.005 0.000 1.164 132 T CB 0.546 69.411 68.868 -0.006 0.000 0.876 132 T HN 0.164 nan 8.240 nan 0.000 0.534 133 P HA 0.094 nan 4.420 nan 0.000 0.264 133 P C -0.142 177.158 177.300 -0.000 0.000 1.183 133 P CA 0.063 63.176 63.100 0.021 0.000 0.763 133 P CB 0.330 32.088 31.700 0.097 0.000 0.807 134 I N 2.371 122.922 120.570 -0.031 0.000 2.396 134 I HA 0.157 4.326 4.170 -0.001 0.000 0.292 134 I C 0.943 177.043 176.117 -0.029 0.000 0.999 134 I CA -0.484 60.803 61.300 -0.022 0.000 1.310 134 I CB 0.891 38.869 38.000 -0.038 0.000 1.404 134 I HN 0.322 nan 8.210 nan 0.000 0.496 135 D N 4.156 124.555 120.400 -0.002 0.000 2.382 135 D HA 0.243 4.882 4.640 -0.001 0.000 0.240 135 D C -0.380 175.886 176.300 -0.057 0.000 1.146 135 D CA 0.265 54.250 54.000 -0.025 0.000 0.897 135 D CB 0.852 41.654 40.800 0.004 0.000 1.197 135 D HN 0.648 nan 8.370 nan 0.000 0.432 136 T N -0.956 113.534 114.554 -0.107 0.000 2.883 136 T HA 0.573 4.923 4.350 -0.001 0.000 0.301 136 T C -0.501 174.046 174.700 -0.255 0.000 1.158 136 T CA -0.977 61.018 62.100 -0.175 0.000 1.007 136 T CB 1.528 70.314 68.868 -0.136 0.000 1.186 136 T HN 0.215 nan 8.240 nan 0.000 0.499 137 T N 2.218 116.469 114.554 -0.506 0.000 2.829 137 T HA 0.608 4.957 4.350 -0.001 0.000 0.282 137 T C -0.486 173.961 174.700 -0.421 0.000 0.990 137 T CA -0.612 61.176 62.100 -0.519 0.000 1.028 137 T CB 0.752 69.136 68.868 -0.807 0.000 0.951 137 T HN 0.724 nan 8.240 nan 0.000 0.460 138 I N 4.433 124.914 120.570 -0.148 0.000 2.362 138 I HA 0.511 4.680 4.170 -0.001 0.000 0.289 138 I C -0.984 175.163 176.117 0.052 0.000 0.994 138 I CA -0.749 60.550 61.300 -0.002 0.000 1.158 138 I CB 0.602 38.651 38.000 0.081 0.000 1.315 138 I HN 0.419 nan 8.210 nan 0.000 0.451 139 M N 6.191 125.866 119.600 0.125 0.000 2.658 139 M HA 0.555 5.034 4.480 -0.001 0.000 0.295 139 M C -0.634 175.736 176.300 0.115 0.000 1.248 139 M CA -0.657 54.724 55.300 0.136 0.000 0.843 139 M CB 1.860 34.591 32.600 0.219 0.000 1.749 139 M HN 0.572 nan 8.290 nan 0.000 0.464 140 A N 1.687 124.557 122.820 0.082 0.000 2.290 140 A HA 0.565 4.884 4.320 -0.001 0.000 0.310 140 A C -0.248 177.375 177.584 0.065 0.000 1.202 140 A CA -0.607 51.469 52.037 0.065 0.000 0.837 140 A CB 0.437 19.462 19.000 0.042 0.000 1.139 140 A HN 0.760 nan 8.150 nan 0.000 0.509 141 K N 1.782 122.222 120.400 0.066 0.000 2.237 141 K HA 0.133 4.452 4.320 -0.001 0.000 0.270 141 K C -0.580 176.026 176.600 0.010 0.000 1.015 141 K CA 0.088 56.399 56.287 0.041 0.000 0.949 141 K CB 0.652 33.184 32.500 0.053 0.000 0.976 141 K HN 0.759 nan 8.250 nan 0.000 0.472 142 N N 2.708 121.383 118.700 -0.042 0.000 2.589 142 N HA 0.085 4.824 4.740 -0.001 0.000 0.232 142 N C -1.233 174.140 175.510 -0.228 0.000 1.015 142 N CA -0.298 52.686 53.050 -0.111 0.000 0.931 142 N CB 0.876 39.297 38.487 -0.109 0.000 1.150 142 N HN 0.392 nan 8.380 nan 0.000 0.512 143 E N 1.028 121.074 120.200 -0.257 0.000 2.256 143 E HA 0.402 4.751 4.350 -0.001 0.000 0.267 143 E C -0.770 175.373 176.600 -0.761 0.000 0.892 143 E CA -0.955 55.159 56.400 -0.477 0.000 0.775 143 E CB 2.592 32.064 29.700 -0.379 0.000 1.207 143 E HN 0.082 nan 8.360 nan 0.000 0.420 144 V N 3.241 122.588 119.914 -0.946 0.000 2.481 144 V HA 0.450 4.569 4.120 -0.001 0.000 0.286 144 V C -0.668 174.782 176.094 -1.074 0.000 1.042 144 V CA -0.146 61.622 62.300 -0.886 0.000 0.928 144 V CB 0.052 31.500 31.823 -0.625 0.000 0.986 144 V HN 0.521 nan 8.190 nan 0.000 0.462 145 F N 2.027 121.654 119.950 -0.538 0.000 2.726 145 F HA 0.634 5.160 4.527 -0.001 0.000 0.324 145 F C -0.013 175.683 175.800 -0.172 0.000 1.140 145 F CA -0.784 57.006 58.000 -0.350 0.000 0.964 145 F CB 1.325 40.120 39.000 -0.340 0.000 1.399 145 F HN 0.529 nan 8.300 nan 0.000 0.491 146 C N 2.573 122.045 119.300 0.286 0.000 2.411 146 C HA 0.817 5.276 4.460 -0.001 0.000 0.330 146 C C 0.016 175.242 174.990 0.394 0.000 1.224 146 C CA -0.691 58.504 59.018 0.295 0.000 1.770 146 C CB 0.082 27.926 27.740 0.173 0.000 2.297 146 C HN 0.736 nan 8.230 nan 0.000 0.507 147 V N 4.483 124.614 119.914 0.362 0.000 3.178 147 V HA 0.366 4.485 4.120 -0.001 0.000 0.306 147 V C 0.117 176.278 176.094 0.112 0.000 1.107 147 V CA 0.296 62.711 62.300 0.192 0.000 1.195 147 V CB -0.054 31.811 31.823 0.071 0.000 0.993 147 V HN 1.321 nan 8.190 nan 0.000 0.493 155 K N 2.467 122.881 120.400 0.024 0.000 2.110 155 K HA 0.531 4.850 4.320 -0.001 0.000 0.263 155 K C -2.269 174.365 176.600 0.057 0.000 0.975 155 K CA -1.639 54.640 56.287 -0.013 0.000 0.895 155 K CB 1.478 33.890 32.500 -0.147 0.000 1.060 155 K HN 0.159 nan 8.250 nan 0.000 0.448 156 P HA -0.005 nan 4.420 nan 0.000 0.272 156 P C -0.560 176.784 177.300 0.074 0.000 1.230 156 P CA -0.353 62.775 63.100 0.046 0.000 0.788 156 P CB 0.669 32.377 31.700 0.012 0.000 0.949 157 A N 3.105 125.975 122.820 0.083 0.000 2.498 157 A HA 0.136 4.456 4.320 -0.001 0.000 0.239 157 A C 0.723 178.356 177.584 0.083 0.000 1.068 157 A CA -0.151 51.945 52.037 0.098 0.000 0.766 157 A CB -0.222 18.824 19.000 0.076 0.000 1.003 157 A HN 0.469 nan 8.150 nan 0.000 0.497 158 R N 0.544 121.109 120.500 0.109 0.000 2.577 158 R HA 0.511 4.851 4.340 -0.001 0.000 0.269 158 R C -0.649 175.710 176.300 0.099 0.000 1.084 158 R CA -0.350 55.815 56.100 0.108 0.000 1.163 158 R CB 0.466 30.845 30.300 0.133 0.000 1.100 158 R HN 0.670 nan 8.270 nan 0.000 0.547 159 L N 1.895 123.183 121.223 0.108 0.000 2.331 159 L HA 0.548 4.887 4.340 -0.001 0.000 0.275 159 L C -0.477 176.486 176.870 0.155 0.000 1.022 159 L CA -1.064 53.845 54.840 0.115 0.000 0.812 159 L CB 1.487 43.605 42.059 0.098 0.000 1.257 159 L HN 0.449 nan 8.230 nan 0.000 0.435 160 I N 2.154 122.832 120.570 0.180 0.000 2.466 160 I HA 0.477 4.646 4.170 -0.001 0.000 0.289 160 I C -0.983 175.310 176.117 0.293 0.000 1.026 160 I CA -0.341 61.102 61.300 0.238 0.000 1.078 160 I CB 1.892 40.032 38.000 0.234 0.000 1.249 160 I HN 0.184 nan 8.210 nan 0.000 0.429 161 V N 8.947 129.028 119.914 0.278 0.000 2.407 161 V HA 0.596 4.715 4.120 -0.001 0.000 0.291 161 V C -0.713 175.535 176.094 0.255 0.000 1.018 161 V CA -0.475 61.934 62.300 0.182 0.000 0.842 161 V CB 0.937 32.849 31.823 0.148 0.000 0.996 161 V HN 0.592 nan 8.190 nan 0.000 0.426 162 F N 4.981 124.977 119.950 0.077 0.000 2.601 162 F HA 0.941 5.467 4.527 -0.001 0.000 0.309 162 F C -3.007 172.832 175.800 0.065 0.000 1.089 162 F CA -2.831 55.215 58.000 0.077 0.000 0.940 162 F CB 1.711 40.753 39.000 0.069 0.000 1.273 162 F HN 0.290 nan 8.300 nan 0.000 0.450 163 P HA 0.165 nan 4.420 nan 0.000 0.279 163 P C -1.039 176.383 177.300 0.202 0.000 1.276 163 P CA -0.142 63.022 63.100 0.107 0.000 0.801 163 P CB 1.241 33.013 31.700 0.120 0.000 1.127 164 D N -0.773 119.726 120.400 0.166 0.000 2.378 164 D HA -0.049 4.590 4.640 -0.001 0.000 0.238 164 D C 1.361 177.795 176.300 0.223 0.000 1.180 164 D CA -0.329 53.795 54.000 0.207 0.000 0.895 164 D CB 0.268 41.230 40.800 0.270 0.000 1.192 164 D HN 0.102 nan 8.370 nan 0.000 0.438 165 L N 3.128 124.457 121.223 0.176 0.000 2.081 165 L HA -0.019 4.320 4.340 -0.001 0.000 0.212 165 L C 2.008 179.009 176.870 0.219 0.000 1.080 165 L CA 2.574 57.502 54.840 0.147 0.000 0.754 165 L CB -1.072 41.014 42.059 0.046 0.000 0.893 165 L HN 0.659 nan 8.230 nan 0.000 0.433 166 G N -1.369 107.624 108.800 0.322 0.000 2.422 166 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.218 166 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.218 166 G C 1.510 176.519 174.900 0.181 0.000 1.146 166 G CA 0.978 46.289 45.100 0.351 0.000 0.769 166 G HN 0.356 nan 8.290 nan 0.000 0.547 167 V N 0.714 120.733 119.914 0.176 0.000 2.427 167 V HA -0.127 3.993 4.120 -0.001 0.000 0.248 167 V C 2.901 179.076 176.094 0.135 0.000 1.051 167 V CA 1.710 64.087 62.300 0.127 0.000 1.048 167 V CB -0.421 31.470 31.823 0.113 0.000 0.666 167 V HN 0.327 nan 8.190 nan 0.000 0.456 168 R N -0.241 120.348 120.500 0.148 0.000 2.096 168 R HA -0.109 4.230 4.340 -0.001 0.000 0.235 168 R C 2.212 178.572 176.300 0.099 0.000 1.127 168 R CA 1.366 57.547 56.100 0.134 0.000 0.968 168 R CB -0.591 29.784 30.300 0.124 0.000 0.861 168 R HN 0.422 nan 8.270 nan 0.000 0.440 169 V N 0.406 120.371 119.914 0.084 0.000 2.427 169 V HA -0.275 3.845 4.120 -0.001 0.000 0.248 169 V C 2.475 178.587 176.094 0.030 0.000 1.051 169 V CA 1.466 63.781 62.300 0.026 0.000 1.048 169 V CB -0.442 31.387 31.823 0.011 0.000 0.666 169 V HN 0.438 nan 8.190 nan 0.000 0.456 170 C N -0.120 119.243 119.300 0.104 0.000 2.440 170 C HA -0.127 4.333 4.460 -0.001 0.000 0.278 170 C C 2.680 177.837 174.990 0.279 0.000 1.295 170 C CA 0.826 59.987 59.018 0.239 0.000 1.738 170 C CB -0.938 27.009 27.740 0.345 0.000 1.987 170 C HN 0.616 nan 8.230 nan 0.000 0.492 171 E N 0.833 121.153 120.200 0.199 0.000 2.085 171 E HA -0.233 4.116 4.350 -0.001 0.000 0.194 171 E C 2.154 178.866 176.600 0.186 0.000 0.994 171 E CA 1.234 57.761 56.400 0.210 0.000 0.801 171 E CB -0.155 29.677 29.700 0.219 0.000 0.743 171 E HN 0.634 nan 8.360 nan 0.000 0.453 172 K N 0.409 120.887 120.400 0.130 0.000 2.009 172 K HA -0.146 4.173 4.320 -0.001 0.000 0.210 172 K C 2.252 178.904 176.600 0.088 0.000 1.049 172 K CA 1.634 57.983 56.287 0.104 0.000 0.929 172 K CB -0.182 32.299 32.500 -0.032 0.000 0.714 172 K HN 0.116 nan 8.250 nan 0.000 0.440 173 M N 0.302 119.900 119.600 -0.003 0.000 2.082 173 M HA -0.212 4.268 4.480 -0.001 0.000 0.258 173 M C 2.408 178.738 176.300 0.050 0.000 1.069 173 M CA 1.933 57.170 55.300 -0.106 0.000 1.102 173 M CB -0.421 31.905 32.600 -0.456 0.000 1.336 173 M HN 0.238 nan 8.290 nan 0.000 0.404 174 A N -0.753 122.211 122.820 0.239 0.000 2.021 174 A HA 0.135 4.455 4.320 -0.001 0.000 0.216 174 A C 1.833 179.507 177.584 0.151 0.000 1.163 174 A CA 0.918 53.138 52.037 0.304 0.000 0.676 174 A CB -0.098 19.145 19.000 0.405 0.000 0.818 174 A HN 0.500 nan 8.150 nan 0.000 0.453 175 L N -3.329 117.969 121.223 0.126 0.000 2.993 175 L HA 0.183 4.522 4.340 -0.001 0.000 0.264 175 L C 1.839 178.738 176.870 0.049 0.000 1.154 175 L CA 0.014 54.873 54.840 0.031 0.000 0.972 175 L CB -0.051 41.992 42.059 -0.027 0.000 1.373 175 L HN 0.386 nan 8.230 nan 0.000 0.564 176 Y N 1.848 122.158 120.300 0.016 0.000 2.069 176 Y HA -0.382 4.167 4.550 -0.001 0.000 0.278 176 Y C 2.240 178.166 175.900 0.043 0.000 1.175 176 Y CA 2.416 60.537 58.100 0.035 0.000 1.134 176 Y CB -0.040 38.425 38.460 0.008 0.000 0.965 176 Y HN 0.242 nan 8.280 nan 0.000 0.498 177 D N -0.825 119.576 120.400 0.001 0.000 2.117 177 D HA -0.164 4.475 4.640 -0.001 0.000 0.197 177 D C 2.240 178.471 176.300 -0.116 0.000 0.987 177 D CA 1.446 55.403 54.000 -0.073 0.000 0.829 177 D CB -0.261 40.557 40.800 0.031 0.000 0.961 177 D HN 0.263 nan 8.370 nan 0.000 0.460 178 V N 0.450 120.310 119.914 -0.091 0.000 2.261 178 V HA -0.234 3.885 4.120 -0.001 0.000 0.246 178 V C 2.682 178.686 176.094 -0.151 0.000 1.047 178 V CA 1.896 64.130 62.300 -0.110 0.000 1.015 178 V CB -0.702 31.033 31.823 -0.147 0.000 0.642 178 V HN 0.348 nan 8.190 nan 0.000 0.446 179 V N -2.615 117.190 119.914 -0.182 0.000 2.970 179 V HA -0.080 4.039 4.120 -0.001 0.000 0.260 179 V C 2.030 178.000 176.094 -0.207 0.000 1.100 179 V CA 2.011 64.204 62.300 -0.178 0.000 1.122 179 V CB -0.327 31.412 31.823 -0.140 0.000 0.721 179 V HN 0.448 nan 8.190 nan 0.000 0.483 180 S N 1.103 116.666 115.700 -0.228 0.000 2.439 180 S HA -0.043 4.427 4.470 -0.001 0.000 0.224 180 S C 1.959 176.469 174.600 -0.149 0.000 1.029 180 S CA 1.507 59.586 58.200 -0.202 0.000 0.946 180 S CB -0.005 63.000 63.200 -0.325 0.000 0.797 180 S HN 0.944 nan 8.310 nan 0.000 0.504 181 T N -0.949 113.513 114.554 -0.152 0.000 2.978 181 T HA 0.232 4.582 4.350 -0.001 0.000 0.248 181 T C 1.622 176.224 174.700 -0.164 0.000 1.018 181 T CA -0.066 61.957 62.100 -0.128 0.000 1.026 181 T CB -0.408 68.409 68.868 -0.084 0.000 1.032 181 T HN 0.132 nan 8.240 nan 0.000 0.485 182 L N 2.757 123.882 121.223 -0.164 0.000 2.046 182 L HA 0.205 4.545 4.340 -0.001 0.000 0.208 182 L C -0.969 175.737 176.870 -0.273 0.000 1.077 182 L CA 1.783 56.528 54.840 -0.158 0.000 0.747 182 L CB -1.204 40.813 42.059 -0.070 0.000 0.896 182 L HN 0.120 nan 8.230 nan 0.000 0.432 183 P HA -0.236 nan 4.420 nan 0.000 0.213 183 P C 1.509 178.340 177.300 -0.781 0.000 1.170 183 P CA 1.439 64.065 63.100 -0.789 0.000 0.902 183 P CB -0.203 30.620 31.700 -1.462 0.000 0.789 184 Q N 0.005 119.397 119.800 -0.680 0.000 2.170 184 Q HA -0.112 4.227 4.340 -0.001 0.000 0.203 184 Q C 1.939 177.801 176.000 -0.229 0.000 0.976 184 Q CA 1.511 57.119 55.803 -0.325 0.000 0.858 184 Q CB -0.777 27.877 28.738 -0.139 0.000 0.907 184 Q HN 0.080 nan 8.270 nan 0.000 0.433 185 V N -0.105 119.679 119.914 -0.215 0.000 2.453 185 V HA -0.172 3.947 4.120 -0.001 0.000 0.247 185 V C 2.439 178.440 176.094 -0.156 0.000 1.048 185 V CA 1.243 63.454 62.300 -0.147 0.000 1.049 185 V CB -0.217 31.537 31.823 -0.115 0.000 0.672 185 V HN 0.119 nan 8.190 nan 0.000 0.457 186 V N -0.707 119.078 119.914 -0.214 0.000 2.488 186 V HA -0.103 4.017 4.120 -0.001 0.000 0.246 186 V C 1.939 177.854 176.094 -0.299 0.000 1.046 186 V CA 1.812 63.983 62.300 -0.215 0.000 1.053 186 V CB -0.335 31.352 31.823 -0.227 0.000 0.679 186 V HN 0.472 nan 8.190 nan 0.000 0.458 187 M N -0.868 118.481 119.600 -0.418 0.000 2.371 187 M HA 0.379 4.859 4.480 -0.001 0.000 0.246 187 M C 1.409 177.563 176.300 -0.243 0.000 1.103 187 M CA 0.639 55.606 55.300 -0.554 0.000 1.010 187 M CB 0.423 32.549 32.600 -0.790 0.000 1.457 187 M HN 0.415 nan 8.290 nan 0.000 0.486 188 G N 1.678 110.379 108.800 -0.165 0.000 2.627 188 G HA2 -0.399 3.561 3.960 -0.001 0.000 0.312 188 G HA3 -0.399 3.561 3.960 -0.001 0.000 0.312 188 G C 0.857 175.698 174.900 -0.099 0.000 1.299 188 G CA 0.878 45.924 45.100 -0.090 0.000 0.989 188 G HN 0.559 nan 8.290 nan 0.000 0.547 189 S N -0.745 114.918 115.700 -0.063 0.000 2.500 189 S HA 0.079 4.549 4.470 -0.001 0.000 0.239 189 S C 2.138 176.548 174.600 -0.318 0.000 0.989 189 S CA 1.878 59.983 58.200 -0.159 0.000 0.951 189 S CB -0.055 63.123 63.200 -0.038 0.000 0.759 189 S HN 0.946 nan 8.310 nan 0.000 0.523 190 S N 0.189 115.830 115.700 -0.098 0.000 2.522 190 S HA 0.143 4.612 4.470 -0.001 0.000 0.227 190 S C 0.190 174.760 174.600 -0.050 0.000 0.986 190 S CA -0.203 57.997 58.200 -0.000 0.000 0.929 190 S CB -0.379 62.940 63.200 0.199 0.000 0.769 190 S HN 0.706 nan 8.310 nan 0.000 0.529 191 Y N 2.997 123.125 120.300 -0.286 0.000 2.531 191 Y HA 0.452 5.001 4.550 -0.001 0.000 0.347 191 Y C 1.258 176.915 175.900 -0.404 0.000 1.024 191 Y CA -1.407 56.502 58.100 -0.320 0.000 1.306 191 Y CB 0.059 38.331 38.460 -0.314 0.000 1.149 191 Y HN 0.060 nan 8.280 nan 0.000 0.527 192 G N 4.550 112.921 108.800 -0.715 0.000 2.443 192 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.219 192 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.219 192 G C 1.060 175.401 174.900 -0.932 0.000 1.131 192 G CA 0.223 44.897 45.100 -0.709 0.000 0.775 192 G HN 0.645 nan 8.290 nan 0.000 0.547 193 F N 1.339 120.568 119.950 -1.201 0.000 2.699 193 F HA 0.030 4.556 4.527 -0.001 0.000 0.298 193 F C 2.795 178.311 175.800 -0.474 0.000 1.154 193 F CA 0.892 58.291 58.000 -1.002 0.000 1.457 193 F CB -0.109 38.298 39.000 -0.988 0.000 1.106 193 F HN 0.383 nan 8.300 nan 0.000 0.585 194 Q N -0.803 118.717 119.800 -0.467 0.000 2.451 194 Q HA -0.045 4.294 4.340 -0.001 0.000 0.206 194 Q C -0.674 175.197 176.000 -0.214 0.000 0.947 194 Q CA 0.618 56.271 55.803 -0.250 0.000 0.937 194 Q CB -0.231 28.275 28.738 -0.387 0.000 1.025 194 Q HN 0.291 nan 8.270 nan 0.000 0.511 195 Y N 1.447 121.739 120.300 -0.013 0.000 2.387 195 Y HA 0.356 4.905 4.550 -0.001 0.000 0.336 195 Y C 0.570 176.335 175.900 -0.225 0.000 1.067 195 Y CA -1.345 56.706 58.100 -0.083 0.000 1.114 195 Y CB 1.573 39.947 38.460 -0.143 0.000 1.208 195 Y HN 0.094 nan 8.280 nan 0.000 0.458 196 S N 1.871 117.352 115.700 -0.365 0.000 2.634 196 S HA 0.297 4.766 4.470 -0.001 0.000 0.261 196 S C -2.065 172.234 174.600 -0.501 0.000 1.271 196 S CA -1.060 56.438 58.200 -1.171 0.000 0.985 196 S CB 1.277 63.925 63.200 -0.919 0.000 0.968 196 S HN 0.411 nan 8.310 nan 0.000 0.568 197 P HA 0.007 nan 4.420 nan 0.000 0.215 197 P C 1.717 178.968 177.300 -0.081 0.000 1.153 197 P CA 1.708 64.714 63.100 -0.157 0.000 0.853 197 P CB -0.519 31.142 31.700 -0.064 0.000 0.788 198 G N -0.414 108.329 108.800 -0.094 0.000 2.422 198 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.218 198 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.218 198 G C 1.483 176.338 174.900 -0.075 0.000 1.146 198 G CA 0.548 45.628 45.100 -0.034 0.000 0.769 198 G HN 0.321 nan 8.290 nan 0.000 0.547 199 Q N -0.544 119.188 119.800 -0.114 0.000 2.172 199 Q HA 0.045 4.385 4.340 -0.001 0.000 0.200 199 Q C 2.568 178.388 176.000 -0.300 0.000 0.964 199 Q CA 0.674 56.398 55.803 -0.130 0.000 0.855 199 Q CB -0.083 28.662 28.738 0.011 0.000 0.918 199 Q HN 0.442 nan 8.270 nan 0.000 0.444 200 R N 0.479 120.853 120.500 -0.210 0.000 2.066 200 R HA -0.123 4.217 4.340 -0.001 0.000 0.232 200 R C 2.125 178.333 176.300 -0.152 0.000 1.131 200 R CA 1.190 57.160 56.100 -0.218 0.000 0.955 200 R CB -0.150 30.118 30.300 -0.054 0.000 0.851 200 R HN 0.087 nan 8.270 nan 0.000 0.432 201 V N 1.533 121.384 119.914 -0.104 0.000 2.287 201 V HA -0.277 3.843 4.120 -0.001 0.000 0.248 201 V C 2.381 178.390 176.094 -0.142 0.000 1.053 201 V CA 2.329 64.569 62.300 -0.100 0.000 1.027 201 V CB -0.645 31.157 31.823 -0.035 0.000 0.646 201 V HN 0.512 nan 8.190 nan 0.000 0.447 202 E N -0.389 119.738 120.200 -0.123 0.000 2.058 202 E HA -0.293 4.056 4.350 -0.001 0.000 0.194 202 E C 2.112 178.630 176.600 -0.137 0.000 0.997 202 E CA 1.894 58.222 56.400 -0.121 0.000 0.801 202 E CB -0.245 29.405 29.700 -0.083 0.000 0.746 202 E HN 0.564 nan 8.360 nan 0.000 0.450 203 F N 1.064 120.812 119.950 -0.336 0.000 2.186 203 F HA -0.094 4.433 4.527 -0.001 0.000 0.299 203 F C 1.860 177.533 175.800 -0.211 0.000 1.090 203 F CA 1.115 58.918 58.000 -0.327 0.000 1.307 203 F CB -0.110 38.531 39.000 -0.597 0.000 1.019 203 F HN 0.012 nan 8.300 nan 0.000 0.489 204 L N -0.866 120.205 121.223 -0.254 0.000 2.056 204 L HA -0.196 4.143 4.340 -0.001 0.000 0.207 204 L C 2.395 179.101 176.870 -0.273 0.000 1.078 204 L CA 0.977 55.648 54.840 -0.281 0.000 0.749 204 L CB -0.777 41.176 42.059 -0.176 0.000 0.901 204 L HN -0.006 nan 8.230 nan 0.000 0.433 205 V N 0.100 119.839 119.914 -0.291 0.000 2.295 205 V HA -0.259 3.861 4.120 -0.001 0.000 0.246 205 V C 2.213 178.188 176.094 -0.198 0.000 1.049 205 V CA 1.776 63.885 62.300 -0.319 0.000 1.024 205 V CB -0.626 30.887 31.823 -0.516 0.000 0.648 205 V HN 0.482 nan 8.190 nan 0.000 0.447 206 N N -0.018 118.553 118.700 -0.216 0.000 2.120 206 N HA -0.130 4.610 4.740 -0.001 0.000 0.188 206 N C 1.919 177.315 175.510 -0.190 0.000 1.024 206 N CA 1.887 54.836 53.050 -0.167 0.000 0.852 206 N CB -0.633 37.771 38.487 -0.139 0.000 1.003 206 N HN 0.436 nan 8.380 nan 0.000 0.424 207 T N 0.706 115.058 114.554 -0.337 0.000 2.708 207 T HA -0.158 4.192 4.350 -0.001 0.000 0.266 207 T C 1.490 176.104 174.700 -0.144 0.000 1.037 207 T CA 0.755 62.651 62.100 -0.340 0.000 1.146 207 T CB -0.257 68.247 68.868 -0.605 0.000 0.865 207 T HN 0.435 nan 8.240 nan 0.000 0.435 208 W N 2.230 123.366 121.300 -0.274 0.000 2.338 208 W HA -0.119 4.540 4.660 -0.002 0.000 0.304 208 W C 1.719 178.151 176.519 -0.145 0.000 1.212 208 W CA 1.247 58.477 57.345 -0.192 0.000 1.264 208 W CB -0.160 29.182 29.460 -0.196 0.000 1.142 208 W HN 0.277 nan 8.180 nan 0.000 0.512 209 K N 0.226 120.636 120.400 0.017 0.000 2.365 209 K HA -0.106 4.214 4.320 -0.001 0.000 0.199 209 K C 2.149 178.692 176.600 -0.097 0.000 1.045 209 K CA 1.414 57.676 56.287 -0.042 0.000 0.962 209 K CB -0.246 32.249 32.500 -0.009 0.000 0.759 209 K HN 0.046 nan 8.250 nan 0.000 0.469 210 S N 0.544 116.176 115.700 -0.114 0.000 2.481 210 S HA -0.016 4.453 4.470 -0.001 0.000 0.231 210 S C 0.565 175.091 174.600 -0.123 0.000 0.996 210 S CA 0.432 58.570 58.200 -0.104 0.000 0.942 210 S CB 0.025 63.164 63.200 -0.101 0.000 0.768 210 S HN -0.026 nan 8.310 nan 0.000 0.520 211 K N 1.581 121.870 120.400 -0.185 0.000 2.143 211 K HA 0.457 4.776 4.320 -0.001 0.000 0.272 211 K C 0.763 177.248 176.600 -0.192 0.000 1.001 211 K CA -0.341 55.824 56.287 -0.203 0.000 0.915 211 K CB 0.982 33.305 32.500 -0.294 0.000 1.047 211 K HN 0.065 nan 8.250 nan 0.000 0.458 212 K N 0.929 121.244 120.400 -0.142 0.000 2.007 212 K HA 0.022 4.341 4.320 -0.001 0.000 0.206 212 K C -0.087 176.433 176.600 -0.133 0.000 1.047 212 K CA 1.067 57.287 56.287 -0.112 0.000 0.937 212 K CB 0.165 32.619 32.500 -0.077 0.000 0.718 212 K HN 0.414 nan 8.250 nan 0.000 0.438 213 N N 1.553 120.166 118.700 -0.145 0.000 2.841 213 N HA 0.189 4.928 4.740 -0.001 0.000 0.257 213 N C -2.822 172.563 175.510 -0.208 0.000 1.396 213 N CA -1.231 51.736 53.050 -0.138 0.000 0.823 213 N CB 1.221 39.663 38.487 -0.075 0.000 1.162 213 N HN 0.077 nan 8.380 nan 0.000 0.503 214 P HA 0.047 nan 4.420 nan 0.000 0.266 214 P C -0.157 176.789 177.300 -0.589 0.000 1.195 214 P CA -0.034 62.617 63.100 -0.748 0.000 0.768 214 P CB 1.158 31.894 31.700 -1.605 0.000 0.838 215 M N 2.211 121.540 119.600 -0.451 0.000 2.470 215 M HA 0.663 5.143 4.480 -0.001 0.000 0.285 215 M C -1.393 174.865 176.300 -0.069 0.000 1.213 215 M CA -0.332 54.820 55.300 -0.246 0.000 0.901 215 M CB 2.544 35.065 32.600 -0.132 0.000 1.718 215 M HN 0.604 nan 8.290 nan 0.000 0.469 216 G N 3.067 111.912 108.800 0.075 0.000 2.704 216 G HA2 0.808 4.767 3.960 -0.001 0.000 0.293 216 G HA3 0.808 4.767 3.960 -0.001 0.000 0.293 216 G C -2.121 172.892 174.900 0.189 0.000 1.421 216 G CA -0.607 44.586 45.100 0.155 0.000 0.870 216 G HN 0.886 nan 8.290 nan 0.000 0.492 217 F N -0.627 119.287 119.950 -0.060 0.000 2.678 217 F HA 0.812 5.340 4.527 0.001 0.000 0.308 217 F C -0.332 175.460 175.800 -0.014 0.000 1.118 217 F CA -1.475 56.492 58.000 -0.054 0.000 0.959 217 F CB 1.364 40.320 39.000 -0.074 0.000 1.305 217 F HN 0.679 nan 8.300 nan 0.000 0.443 218 S N 1.108 116.854 115.700 0.077 0.000 2.525 218 S HA 0.641 5.111 4.470 -0.001 0.000 0.290 218 S C -1.599 173.133 174.600 0.221 0.000 1.152 218 S CA -0.570 57.644 58.200 0.025 0.000 1.072 218 S CB 1.556 64.774 63.200 0.029 0.000 1.027 218 S HN 0.860 nan 8.310 nan 0.000 0.500 219 Y N 1.587 121.944 120.300 0.096 0.000 2.345 219 Y HA 0.444 4.993 4.550 -0.002 0.000 0.331 219 Y C -0.856 175.158 175.900 0.189 0.000 0.959 219 Y CA -0.812 57.435 58.100 0.246 0.000 1.204 219 Y CB 1.271 39.967 38.460 0.393 0.000 1.135 219 Y HN 0.872 nan 8.280 nan 0.000 0.477 220 D N 4.208 124.474 120.400 -0.223 0.000 2.359 220 D HA 0.233 4.872 4.640 -0.001 0.000 0.230 220 D C -0.721 175.467 176.300 -0.187 0.000 1.118 220 D CA -0.086 53.849 54.000 -0.108 0.000 0.844 220 D CB 0.965 41.726 40.800 -0.066 0.000 1.059 220 D HN 0.458 nan 8.370 nan 0.000 0.493 221 T N 3.693 118.308 114.554 0.102 0.000 2.832 221 T HA 0.136 4.485 4.350 -0.001 0.000 0.296 221 T C 0.409 175.215 174.700 0.176 0.000 0.968 221 T CA -0.484 61.749 62.100 0.223 0.000 1.107 221 T CB 0.717 69.915 68.868 0.549 0.000 0.916 221 T HN 0.305 nan 8.240 nan 0.000 0.517 222 R N 2.467 123.032 120.500 0.108 0.000 2.399 222 R HA 0.102 4.441 4.340 -0.001 0.000 0.324 222 R C 0.225 176.643 176.300 0.195 0.000 1.030 222 R CA -0.171 55.985 56.100 0.094 0.000 0.984 222 R CB -0.760 29.541 30.300 0.001 0.000 0.961 222 R HN 0.933 nan 8.270 nan 0.000 0.433 223 C N 6.570 126.007 119.300 0.229 0.000 3.112 223 C HA -0.191 4.268 4.460 -0.001 0.000 0.265 223 C C 1.264 176.467 174.990 0.354 0.000 1.283 223 C CA 0.155 59.353 59.018 0.301 0.000 2.378 223 C CB -2.350 25.605 27.740 0.358 0.000 1.500 223 C HN 1.061 nan 8.230 nan 0.000 0.483 224 F N 1.883 121.954 119.950 0.202 0.000 2.115 224 F HA -0.136 4.390 4.527 -0.002 0.000 0.300 224 F C 1.771 177.681 175.800 0.184 0.000 1.092 224 F CA 2.595 60.713 58.000 0.197 0.000 1.245 224 F CB -0.071 39.033 39.000 0.173 0.000 0.995 224 F HN 0.601 nan 8.300 nan 0.000 0.481 225 D N -0.496 120.156 120.400 0.421 0.000 2.123 225 D HA -0.165 4.475 4.640 -0.001 0.000 0.196 225 D C 2.472 178.847 176.300 0.126 0.000 0.992 225 D CA 1.725 55.899 54.000 0.290 0.000 0.833 225 D CB -0.578 40.389 40.800 0.279 0.000 0.954 225 D HN 0.236 nan 8.370 nan 0.000 0.455 226 S N -0.504 115.282 115.700 0.145 0.000 2.447 226 S HA -0.105 4.364 4.470 -0.001 0.000 0.233 226 S C 1.987 176.534 174.600 -0.088 0.000 1.006 226 S CA 1.405 59.586 58.200 -0.031 0.000 0.957 226 S CB -0.258 62.910 63.200 -0.053 0.000 0.773 226 S HN 0.526 nan 8.310 nan 0.000 0.507 227 T N -0.640 113.946 114.554 0.053 0.000 3.088 227 T HA 0.146 4.495 4.350 -0.001 0.000 0.259 227 T C 0.568 175.199 174.700 -0.114 0.000 1.122 227 T CA -0.017 62.105 62.100 0.036 0.000 1.095 227 T CB -0.361 68.509 68.868 0.003 0.000 0.930 227 T HN 0.031 nan 8.240 nan 0.000 0.508 228 V N 4.168 123.990 119.914 -0.154 0.000 2.446 228 V HA 0.299 4.418 4.120 -0.001 0.000 0.276 228 V C 1.183 177.236 176.094 -0.068 0.000 1.030 228 V CA -0.257 61.977 62.300 -0.112 0.000 1.033 228 V CB -0.089 31.718 31.823 -0.026 0.000 0.993 228 V HN 0.715 nan 8.190 nan 0.000 0.477 229 T N 0.936 115.461 114.554 -0.049 0.000 2.862 229 T HA 0.285 4.635 4.350 -0.001 0.000 0.276 229 T C 1.078 175.771 174.700 -0.012 0.000 0.974 229 T CA -0.249 61.830 62.100 -0.036 0.000 0.966 229 T CB 1.389 70.234 68.868 -0.040 0.000 1.072 229 T HN 0.672 nan 8.240 nan 0.000 0.538 230 E N 0.366 120.566 120.200 0.001 0.000 2.077 230 E HA -0.260 4.089 4.350 -0.001 0.000 0.193 230 E C 1.980 178.592 176.600 0.019 0.000 0.989 230 E CA 1.580 57.991 56.400 0.019 0.000 0.800 230 E CB -0.258 29.460 29.700 0.030 0.000 0.746 230 E HN 0.787 nan 8.360 nan 0.000 0.452 231 N N 0.623 119.326 118.700 0.005 0.000 2.061 231 N HA -0.211 4.528 4.740 -0.001 0.000 0.193 231 N C 1.478 177.002 175.510 0.024 0.000 1.030 231 N CA 2.128 55.180 53.050 0.003 0.000 0.856 231 N CB -0.095 38.373 38.487 -0.031 0.000 1.023 231 N HN 0.135 nan 8.380 nan 0.000 0.424 232 D N 0.129 120.543 120.400 0.023 0.000 2.123 232 D HA -0.127 4.512 4.640 -0.001 0.000 0.196 232 D C 1.977 178.295 176.300 0.030 0.000 0.992 232 D CA 1.071 55.098 54.000 0.044 0.000 0.833 232 D CB -0.286 40.536 40.800 0.036 0.000 0.954 232 D HN 0.471 nan 8.370 nan 0.000 0.455 233 I N 0.562 121.154 120.570 0.035 0.000 2.394 233 I HA -0.185 3.985 4.170 -0.001 0.000 0.251 233 I C 2.469 178.610 176.117 0.040 0.000 1.136 233 I CA 0.866 62.197 61.300 0.051 0.000 1.425 233 I CB -0.055 37.998 38.000 0.088 0.000 1.079 233 I HN -0.111 nan 8.210 nan 0.000 0.425 234 R N -0.047 120.472 120.500 0.032 0.000 2.090 234 R HA -0.051 4.288 4.340 -0.001 0.000 0.228 234 R C 2.327 178.617 176.300 -0.016 0.000 1.110 234 R CA 0.875 56.988 56.100 0.022 0.000 0.973 234 R CB -0.298 30.016 30.300 0.025 0.000 0.869 234 R HN 0.191 nan 8.270 nan 0.000 0.440 235 V N 1.455 121.360 119.914 -0.016 0.000 2.407 235 V HA -0.233 3.887 4.120 -0.001 0.000 0.248 235 V C 1.898 177.904 176.094 -0.146 0.000 1.055 235 V CA 1.796 64.071 62.300 -0.041 0.000 1.049 235 V CB -0.348 31.487 31.823 0.021 0.000 0.662 235 V HN 0.339 nan 8.190 nan 0.000 0.455 236 E N -0.346 119.740 120.200 -0.190 0.000 2.077 236 E HA -0.261 4.088 4.350 -0.001 0.000 0.193 236 E C 2.320 178.442 176.600 -0.796 0.000 0.989 236 E CA 1.407 57.534 56.400 -0.454 0.000 0.800 236 E CB -0.147 29.360 29.700 -0.322 0.000 0.746 236 E HN 0.627 nan 8.360 nan 0.000 0.452 237 E N 0.563 120.554 120.200 -0.349 0.000 2.077 237 E HA -0.200 4.150 4.350 -0.001 0.000 0.193 237 E C 2.150 178.688 176.600 -0.104 0.000 0.989 237 E CA 1.534 57.867 56.400 -0.112 0.000 0.800 237 E CB 0.017 29.774 29.700 0.096 0.000 0.746 237 E HN 0.231 nan 8.360 nan 0.000 0.452 238 S N 0.414 116.052 115.700 -0.104 0.000 2.400 238 S HA -0.162 4.307 4.470 -0.001 0.000 0.232 238 S C 2.042 176.591 174.600 -0.085 0.000 1.025 238 S CA 1.079 59.242 58.200 -0.061 0.000 0.993 238 S CB -0.534 62.636 63.200 -0.049 0.000 0.808 238 S HN 0.300 nan 8.310 nan 0.000 0.478 239 I N -0.044 120.413 120.570 -0.188 0.000 2.286 239 I HA -0.104 4.066 4.170 -0.001 0.000 0.245 239 I C 2.310 178.391 176.117 -0.060 0.000 1.104 239 I CA 1.195 62.396 61.300 -0.164 0.000 1.397 239 I CB -0.470 37.378 38.000 -0.253 0.000 1.072 239 I HN 0.217 nan 8.210 nan 0.000 0.417 240 Y N 1.084 121.378 120.300 -0.010 0.000 2.145 240 Y HA -0.224 4.325 4.550 -0.001 0.000 0.286 240 Y C 2.655 178.558 175.900 0.004 0.000 1.145 240 Y CA 0.707 58.805 58.100 -0.004 0.000 1.148 240 Y CB -1.089 37.382 38.460 0.018 0.000 0.981 240 Y HN 0.208 nan 8.280 nan 0.000 0.507 241 Q N -1.087 118.809 119.800 0.159 0.000 2.439 241 Q HA -0.136 4.203 4.340 -0.001 0.000 0.211 241 Q C 2.285 178.318 176.000 0.055 0.000 0.978 241 Q CA 0.916 56.775 55.803 0.094 0.000 0.897 241 Q CB -0.804 27.974 28.738 0.067 0.000 0.956 241 Q HN 0.522 nan 8.270 nan 0.000 0.483 242 C N 0.012 119.336 119.300 0.041 0.000 2.448 242 C HA -0.023 4.436 4.460 -0.001 0.000 0.280 242 C C 1.612 176.617 174.990 0.025 0.000 1.398 242 C CA -0.686 58.343 59.018 0.020 0.000 1.774 242 C CB -0.626 27.114 27.740 0.000 0.000 1.888 242 C HN 0.420 nan 8.230 nan 0.000 0.519 243 C N 1.706 121.031 119.300 0.042 0.000 2.705 243 C HA 0.149 4.609 4.460 -0.001 0.000 0.382 243 C C 0.518 175.526 174.990 0.030 0.000 1.322 243 C CA -0.168 58.870 59.018 0.033 0.000 2.290 243 C CB -0.193 27.573 27.740 0.043 0.000 2.650 243 C HN 0.511 nan 8.230 nan 0.000 0.695 244 D N 1.449 121.862 120.400 0.022 0.000 2.365 244 D HA 0.493 5.132 4.640 -0.001 0.000 0.237 244 D C -0.688 175.629 176.300 0.028 0.000 1.190 244 D CA 0.234 54.247 54.000 0.022 0.000 0.867 244 D CB -0.063 40.746 40.800 0.015 0.000 1.050 244 D HN 0.391 nan 8.370 nan 0.000 0.491 245 L N 2.050 123.294 121.223 0.035 0.000 2.333 245 L HA 0.701 5.040 4.340 -0.001 0.000 0.263 245 L C 0.435 177.333 176.870 0.046 0.000 1.014 245 L CA -1.487 53.379 54.840 0.044 0.000 0.820 245 L CB 1.819 43.911 42.059 0.054 0.000 1.352 245 L HN 0.345 nan 8.230 nan 0.000 0.421 246 A N 1.737 124.591 122.820 0.056 0.000 2.445 246 A HA 0.364 4.683 4.320 -0.001 0.000 0.242 246 A C -1.844 175.778 177.584 0.063 0.000 1.075 246 A CA -0.825 51.247 52.037 0.059 0.000 0.777 246 A CB -0.109 18.935 19.000 0.073 0.000 1.013 246 A HN 0.634 nan 8.150 nan 0.000 0.493 247 P HA -0.179 nan 4.420 nan 0.000 0.216 247 P C 1.272 178.602 177.300 0.049 0.000 1.153 247 P CA 1.657 64.783 63.100 0.043 0.000 0.858 247 P CB 0.198 31.919 31.700 0.035 0.000 0.789 248 E N -0.816 119.434 120.200 0.084 0.000 2.153 248 E HA -0.186 4.163 4.350 -0.001 0.000 0.194 248 E C 1.934 178.602 176.600 0.113 0.000 0.988 248 E CA 1.084 57.550 56.400 0.110 0.000 0.811 248 E CB -0.411 29.431 29.700 0.237 0.000 0.746 248 E HN 0.097 nan 8.360 nan 0.000 0.466 249 A N 0.878 123.789 122.820 0.153 0.000 1.897 249 A HA -0.132 4.187 4.320 -0.001 0.000 0.215 249 A C 2.039 179.664 177.584 0.068 0.000 1.181 249 A CA 1.032 53.163 52.037 0.156 0.000 0.620 249 A CB -0.278 18.811 19.000 0.148 0.000 0.821 249 A HN 0.116 nan 8.150 nan 0.000 0.443 250 R N -0.994 119.537 120.500 0.050 0.000 2.081 250 R HA -0.182 4.157 4.340 -0.001 0.000 0.235 250 R C 2.485 178.785 176.300 0.000 0.000 1.131 250 R CA 1.712 57.833 56.100 0.035 0.000 0.960 250 R CB -0.271 30.048 30.300 0.032 0.000 0.856 250 R HN 0.637 nan 8.270 nan 0.000 0.436 251 Q N 0.709 120.489 119.800 -0.033 0.000 2.079 251 Q HA -0.081 4.259 4.340 -0.001 0.000 0.200 251 Q C 1.921 177.832 176.000 -0.148 0.000 0.974 251 Q CA 1.991 57.744 55.803 -0.083 0.000 0.840 251 Q CB -0.214 28.463 28.738 -0.102 0.000 0.898 251 Q HN 0.329 nan 8.270 nan 0.000 0.430 252 A N 0.096 122.785 122.820 -0.217 0.000 1.933 252 A HA -0.114 4.205 4.320 -0.001 0.000 0.218 252 A C 2.105 179.600 177.584 -0.147 0.000 1.175 252 A CA 1.424 53.262 52.037 -0.331 0.000 0.628 252 A CB -0.678 17.993 19.000 -0.548 0.000 0.814 252 A HN 0.490 nan 8.150 nan 0.000 0.444 253 I N -0.606 119.943 120.570 -0.035 0.000 2.315 253 I HA -0.224 3.946 4.170 -0.001 0.000 0.248 253 I C 2.516 178.668 176.117 0.057 0.000 1.117 253 I CA 1.691 63.023 61.300 0.054 0.000 1.404 253 I CB -0.208 37.853 38.000 0.101 0.000 1.071 253 I HN 0.401 nan 8.210 nan 0.000 0.419 254 K N 0.610 121.019 120.400 0.014 0.000 2.025 254 K HA -0.191 4.129 4.320 -0.001 0.000 0.207 254 K C 2.354 178.933 176.600 -0.035 0.000 1.049 254 K CA 1.760 58.053 56.287 0.010 0.000 0.933 254 K CB -0.085 32.410 32.500 -0.007 0.000 0.714 254 K HN 0.092 nan 8.250 nan 0.000 0.438 255 S N 0.799 116.445 115.700 -0.090 0.000 2.356 255 S HA -0.080 4.389 4.470 -0.001 0.000 0.223 255 S C 1.987 176.488 174.600 -0.166 0.000 1.032 255 S CA 1.081 59.205 58.200 -0.128 0.000 1.005 255 S CB -0.281 62.812 63.200 -0.178 0.000 0.867 255 S HN 0.366 nan 8.310 nan 0.000 0.449 256 L N 0.718 121.814 121.223 -0.213 0.000 2.079 256 L HA -0.120 4.220 4.340 -0.001 0.000 0.210 256 L C 2.732 179.282 176.870 -0.535 0.000 1.081 256 L CA 1.546 56.138 54.840 -0.412 0.000 0.752 256 L CB -0.910 40.896 42.059 -0.422 0.000 0.896 256 L HN 0.361 nan 8.230 nan 0.000 0.433 257 T N -1.087 113.365 114.554 -0.170 0.000 2.737 257 T HA -0.136 4.213 4.350 -0.001 0.000 0.265 257 T C 1.786 176.487 174.700 0.002 0.000 1.038 257 T CA 1.092 63.227 62.100 0.057 0.000 1.144 257 T CB -0.054 68.929 68.868 0.192 0.000 0.866 257 T HN 0.297 nan 8.240 nan 0.000 0.434 258 E N 1.150 121.335 120.200 -0.027 0.000 2.106 258 E HA -0.033 4.317 4.350 -0.001 0.000 0.192 258 E C 2.341 178.918 176.600 -0.037 0.000 0.984 258 E CA 0.929 57.318 56.400 -0.018 0.000 0.806 258 E CB -0.117 29.570 29.700 -0.022 0.000 0.750 258 E HN 0.468 nan 8.360 nan 0.000 0.458 259 R N -0.484 119.963 120.500 -0.088 0.000 2.223 259 R HA 0.102 4.441 4.340 -0.001 0.000 0.198 259 R C 1.879 178.113 176.300 -0.109 0.000 0.984 259 R CA 0.326 56.375 56.100 -0.086 0.000 1.018 259 R CB 0.238 30.479 30.300 -0.098 0.000 0.945 259 R HN 0.040 nan 8.270 nan 0.000 0.479 260 L N -2.056 119.055 121.223 -0.186 0.000 2.691 260 L HA 0.185 4.525 4.340 -0.001 0.000 0.185 260 L C 1.331 178.183 176.870 -0.030 0.000 1.081 260 L CA 0.737 55.473 54.840 -0.174 0.000 0.865 260 L CB -0.265 41.607 42.059 -0.311 0.000 1.370 260 L HN -0.133 nan 8.230 nan 0.000 0.488 261 Y N 0.488 120.804 120.300 0.027 0.000 2.181 261 Y HA -0.101 4.448 4.550 -0.001 0.000 0.288 261 Y C 2.596 178.507 175.900 0.019 0.000 1.146 261 Y CA 1.465 59.590 58.100 0.042 0.000 1.164 261 Y CB -0.941 37.568 38.460 0.082 0.000 0.982 261 Y HN 0.134 nan 8.280 nan 0.000 0.515 262 I N -1.079 119.584 120.570 0.155 0.000 2.493 262 I HA -0.026 4.143 4.170 -0.001 0.000 0.254 262 I C 1.204 177.336 176.117 0.026 0.000 1.160 262 I CA 1.226 62.575 61.300 0.082 0.000 1.445 262 I CB -0.363 37.676 38.000 0.065 0.000 1.086 262 I HN 0.316 nan 8.210 nan 0.000 0.433 263 G N -0.860 107.934 108.800 -0.010 0.000 2.324 263 G HA2 0.469 4.428 3.960 -0.001 0.000 0.293 263 G HA3 0.469 4.428 3.960 -0.001 0.000 0.293 263 G C -0.965 173.792 174.900 -0.239 0.000 1.297 263 G CA -0.150 44.877 45.100 -0.120 0.000 0.853 263 G HN 0.404 nan 8.290 nan 0.000 0.535 264 G N -0.950 107.437 108.800 -0.687 0.000 2.339 264 G HA2 0.663 4.622 3.960 -0.001 0.000 0.302 264 G HA3 0.663 4.622 3.960 -0.001 0.000 0.302 264 G C -3.431 170.795 174.900 -1.124 0.000 1.425 264 G CA 0.158 44.783 45.100 -0.792 0.000 0.899 264 G HN 0.838 nan 8.290 nan 0.000 0.619 265 P HA 0.392 nan 4.420 nan 0.000 0.271 265 P C -0.457 176.740 177.300 -0.171 0.000 1.218 265 P CA -0.048 62.916 63.100 -0.226 0.000 0.780 265 P CB 1.053 32.772 31.700 0.031 0.000 0.901 266 L N 2.368 123.539 121.223 -0.085 0.000 2.305 266 L HA 0.445 4.784 4.340 -0.001 0.000 0.284 266 L C 0.483 177.353 176.870 0.001 0.000 1.013 266 L CA -0.251 54.566 54.840 -0.039 0.000 0.819 266 L CB 1.613 43.680 42.059 0.013 0.000 1.227 266 L HN 0.285 nan 8.230 nan 0.000 0.417 267 T N 1.395 115.929 114.554 -0.033 0.000 2.824 267 T HA 0.336 4.685 4.350 -0.001 0.000 0.282 267 T C -0.197 174.484 174.700 -0.032 0.000 0.993 267 T CA -0.830 61.256 62.100 -0.025 0.000 0.967 267 T CB 1.553 70.391 68.868 -0.049 0.000 0.960 267 T HN 0.656 nan 8.240 nan 0.000 0.441 268 N N 0.598 119.297 118.700 -0.002 0.000 2.364 268 N HA 0.142 4.881 4.740 -0.001 0.000 0.264 268 N C 1.387 176.889 175.510 -0.013 0.000 1.263 268 N CA -0.361 52.690 53.050 0.001 0.000 0.959 268 N CB 0.158 38.656 38.487 0.019 0.000 1.204 268 N HN 0.442 nan 8.380 nan 0.000 0.550 269 S N -1.508 114.194 115.700 0.003 0.000 2.500 269 S HA -0.081 4.389 4.470 -0.001 0.000 0.239 269 S C 0.903 175.500 174.600 -0.004 0.000 0.989 269 S CA 0.626 58.829 58.200 0.005 0.000 0.951 269 S CB -0.450 62.767 63.200 0.029 0.000 0.759 269 S HN 0.621 nan 8.310 nan 0.000 0.523 270 K N 0.433 120.831 120.400 -0.003 0.000 2.374 270 K HA 0.294 4.613 4.320 -0.001 0.000 0.196 270 K C 1.181 177.774 176.600 -0.011 0.000 1.023 270 K CA 0.351 56.635 56.287 -0.005 0.000 1.103 270 K CB 0.118 32.620 32.500 0.002 0.000 0.848 270 K HN 0.509 nan 8.250 nan 0.000 0.528 271 G N 1.760 110.549 108.800 -0.018 0.000 2.157 271 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.248 271 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.248 271 G C -0.197 174.698 174.900 -0.007 0.000 0.979 271 G CA -0.079 45.007 45.100 -0.022 0.000 0.650 271 G HN 0.341 nan 8.290 nan 0.000 0.529 272 Q N 0.084 119.886 119.800 0.004 0.000 2.259 272 Q HA 0.317 4.657 4.340 -0.001 0.000 0.246 272 Q C 0.427 176.444 176.000 0.029 0.000 0.920 272 Q CA -0.501 55.312 55.803 0.017 0.000 0.895 272 Q CB 0.940 29.692 28.738 0.023 0.000 1.220 272 Q HN 0.426 nan 8.270 nan 0.000 0.439 273 N N 1.410 120.134 118.700 0.039 0.000 2.442 273 N HA 0.014 4.753 4.740 -0.001 0.000 0.265 273 N C -0.217 175.344 175.510 0.086 0.000 1.138 273 N CA -0.405 52.679 53.050 0.056 0.000 0.956 273 N CB 0.543 39.065 38.487 0.059 0.000 1.067 273 N HN 0.582 nan 8.380 nan 0.000 0.474 274 C N 2.884 122.252 119.300 0.113 0.000 2.674 274 C HA 0.427 4.886 4.460 -0.001 0.000 0.276 274 C C 1.196 176.353 174.990 0.278 0.000 1.300 274 C CA 0.449 59.586 59.018 0.198 0.000 1.732 274 C CB -0.917 26.960 27.740 0.230 0.000 2.076 274 C HN 0.964 nan 8.230 nan 0.000 0.548 275 G N -1.408 107.484 108.800 0.154 0.000 2.398 275 G HA2 0.316 4.275 3.960 -0.001 0.000 0.251 275 G HA3 0.316 4.275 3.960 -0.001 0.000 0.251 275 G C -2.195 172.732 174.900 0.046 0.000 1.277 275 G CA -0.382 44.760 45.100 0.070 0.000 0.927 275 G HN 0.016 nan 8.290 nan 0.000 0.477 276 Y N 0.662 120.836 120.300 -0.211 0.000 2.470 276 Y HA 0.737 5.287 4.550 -0.001 0.000 0.341 276 Y C 0.050 175.831 175.900 -0.199 0.000 1.021 276 Y CA -0.827 57.179 58.100 -0.157 0.000 1.025 276 Y CB 1.968 40.355 38.460 -0.122 0.000 1.266 276 Y HN 0.706 nan 8.280 nan 0.000 0.448 277 R N 4.681 124.947 120.500 -0.389 0.000 2.428 277 R HA 0.532 4.872 4.340 -0.001 0.000 0.294 277 R C -0.417 175.706 176.300 -0.296 0.000 1.000 277 R CA -0.476 55.406 56.100 -0.365 0.000 0.960 277 R CB 0.800 30.940 30.300 -0.266 0.000 1.076 277 R HN 0.812 nan 8.270 nan 0.000 0.475 278 R N 3.093 123.393 120.500 -0.333 0.000 2.616 278 R HA 0.177 4.517 4.340 -0.001 0.000 0.427 278 R C -0.386 175.784 176.300 -0.217 0.000 1.030 278 R CA -0.085 55.916 56.100 -0.165 0.000 1.133 278 R CB 0.288 30.534 30.300 -0.090 0.000 1.444 278 R HN 0.792 nan 8.270 nan 0.000 0.578 279 C N -1.308 117.802 119.300 -0.316 0.000 3.301 279 C HA 0.672 5.131 4.460 -0.001 0.000 0.367 279 C C 0.183 175.104 174.990 -0.116 0.000 1.980 279 C CA -1.394 57.485 59.018 -0.231 0.000 1.349 279 C CB 1.301 28.834 27.740 -0.345 0.000 2.412 279 C HN 0.300 nan 8.230 nan 0.000 0.451 280 R N 1.181 121.665 120.500 -0.026 0.000 2.570 280 R HA 0.477 4.816 4.340 -0.001 0.000 0.277 280 R C -0.002 176.352 176.300 0.091 0.000 1.039 280 R CA 0.962 57.101 56.100 0.065 0.000 1.065 280 R CB -0.078 30.305 30.300 0.138 0.000 0.964 280 R HN 1.167 nan 8.270 nan 0.000 0.428 281 A N 3.400 126.290 122.820 0.117 0.000 2.328 281 A HA 0.260 4.579 4.320 -0.001 0.000 0.284 281 A C 0.858 178.544 177.584 0.169 0.000 1.160 281 A CA -0.017 52.109 52.037 0.149 0.000 0.818 281 A CB 0.615 19.712 19.000 0.162 0.000 1.087 281 A HN 1.000 nan 8.150 nan 0.000 0.504 282 S N 1.875 117.690 115.700 0.192 0.000 2.522 282 S HA 0.106 4.575 4.470 -0.001 0.000 0.227 282 S C 1.017 175.723 174.600 0.176 0.000 0.986 282 S CA 0.661 58.971 58.200 0.183 0.000 0.929 282 S CB 0.097 63.413 63.200 0.193 0.000 0.769 282 S HN 1.254 nan 8.310 nan 0.000 0.529 283 G N 1.831 110.758 108.800 0.211 0.000 4.644 283 G HA2 0.526 4.486 3.960 -0.001 0.000 0.307 283 G HA3 0.526 4.486 3.960 -0.001 0.000 0.307 283 G C -0.195 174.841 174.900 0.227 0.000 1.331 283 G CA -0.150 45.084 45.100 0.224 0.000 1.059 283 G HN 0.564 nan 8.290 nan 0.000 0.590 284 V N -2.380 117.648 119.914 0.189 0.000 3.046 284 V HA 0.589 4.709 4.120 -0.001 0.000 0.316 284 V C 1.358 177.537 176.094 0.140 0.000 1.104 284 V CA -0.961 61.465 62.300 0.210 0.000 1.006 284 V CB 1.729 33.733 31.823 0.303 0.000 1.058 284 V HN 0.085 nan 8.190 nan 0.000 0.440 285 L N 2.292 123.609 121.223 0.157 0.000 2.079 285 L HA -0.055 4.284 4.340 -0.001 0.000 0.210 285 L C 2.312 179.203 176.870 0.036 0.000 1.081 285 L CA 3.052 57.968 54.840 0.127 0.000 0.752 285 L CB -0.611 41.545 42.059 0.162 0.000 0.896 285 L HN 1.090 nan 8.230 nan 0.000 0.433 286 T N -5.825 108.670 114.554 -0.099 0.000 3.148 286 T HA -0.002 4.347 4.350 -0.001 0.000 0.253 286 T C 1.567 176.207 174.700 -0.101 0.000 1.134 286 T CA 0.733 62.718 62.100 -0.191 0.000 1.051 286 T CB -0.698 67.873 68.868 -0.496 0.000 0.959 286 T HN 0.271 nan 8.240 nan 0.000 0.525 287 T N 1.962 116.495 114.554 -0.035 0.000 2.684 287 T HA -0.151 4.198 4.350 -0.001 0.000 0.267 287 T C 2.222 176.939 174.700 0.029 0.000 1.036 287 T CA 1.774 63.888 62.100 0.023 0.000 1.148 287 T CB -0.587 68.322 68.868 0.067 0.000 0.863 287 T HN 0.559 nan 8.240 nan 0.000 0.436 288 S N -0.203 115.491 115.700 -0.011 0.000 2.345 288 S HA -0.137 4.332 4.470 -0.001 0.000 0.220 288 S C 2.457 177.070 174.600 0.021 0.000 1.031 288 S CA 1.382 59.562 58.200 -0.034 0.000 0.996 288 S CB -0.948 62.121 63.200 -0.218 0.000 0.882 288 S HN 0.673 nan 8.310 nan 0.000 0.445 289 C N 1.359 120.651 119.300 -0.015 0.000 2.429 289 C HA 0.118 4.578 4.460 -0.001 0.000 0.277 289 C C 2.798 177.833 174.990 0.074 0.000 1.262 289 C CA 1.111 60.141 59.018 0.020 0.000 1.733 289 C CB -1.810 25.914 27.740 -0.027 0.000 2.010 289 C HN 0.714 nan 8.230 nan 0.000 0.483 290 G N 0.355 109.207 108.800 0.088 0.000 2.402 290 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.216 290 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.216 290 G C 1.526 176.508 174.900 0.138 0.000 1.162 290 G CA 0.946 46.111 45.100 0.109 0.000 0.777 290 G HN 0.575 nan 8.290 nan 0.000 0.539 291 N N 0.490 119.269 118.700 0.132 0.000 2.120 291 N HA -0.076 4.663 4.740 -0.001 0.000 0.188 291 N C 2.417 177.947 175.510 0.034 0.000 1.024 291 N CA 1.605 54.723 53.050 0.114 0.000 0.852 291 N CB -0.739 37.709 38.487 -0.066 0.000 1.003 291 N HN 0.222 nan 8.380 nan 0.000 0.424 292 T N 1.727 116.321 114.554 0.067 0.000 2.708 292 T HA -0.031 4.319 4.350 -0.001 0.000 0.266 292 T C 2.120 176.895 174.700 0.125 0.000 1.037 292 T CA 0.745 62.908 62.100 0.104 0.000 1.146 292 T CB -0.323 68.680 68.868 0.225 0.000 0.865 292 T HN 0.126 nan 8.240 nan 0.000 0.435 293 L N 0.588 121.865 121.223 0.090 0.000 2.017 293 L HA -0.126 4.213 4.340 -0.001 0.000 0.208 293 L C 2.962 179.917 176.870 0.141 0.000 1.073 293 L CA 1.338 56.220 54.840 0.070 0.000 0.745 293 L CB -1.020 41.037 42.059 -0.004 0.000 0.894 293 L HN 0.280 nan 8.230 nan 0.000 0.432 294 T N -1.459 113.198 114.554 0.172 0.000 2.821 294 T HA -0.223 4.126 4.350 -0.001 0.000 0.267 294 T C 1.982 176.867 174.700 0.308 0.000 1.046 294 T CA 1.378 63.610 62.100 0.220 0.000 1.139 294 T CB -0.420 68.615 68.868 0.279 0.000 0.871 294 T HN 0.461 nan 8.240 nan 0.000 0.454 295 C N 0.554 120.085 119.300 0.385 0.000 2.446 295 C HA -0.034 4.426 4.460 -0.001 0.000 0.277 295 C C 2.378 177.516 174.990 0.247 0.000 1.275 295 C CA 0.277 59.519 59.018 0.374 0.000 1.727 295 C CB -1.370 26.479 27.740 0.180 0.000 2.010 295 C HN 0.654 nan 8.230 nan 0.000 0.486 296 Y N 1.109 121.463 120.300 0.089 0.000 2.181 296 Y HA -0.108 4.442 4.550 -0.001 0.000 0.288 296 Y C 2.145 178.054 175.900 0.015 0.000 1.146 296 Y CA 2.094 60.223 58.100 0.049 0.000 1.164 296 Y CB -0.530 37.943 38.460 0.021 0.000 0.982 296 Y HN 0.345 nan 8.280 nan 0.000 0.515 297 L N 1.002 122.278 121.223 0.089 0.000 1.994 297 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 297 L C 2.087 178.848 176.870 -0.182 0.000 1.071 297 L CA 1.995 56.767 54.840 -0.112 0.000 0.745 297 L CB -0.842 41.125 42.059 -0.153 0.000 0.892 297 L HN 0.121 nan 8.230 nan 0.000 0.431 298 K N -0.296 120.069 120.400 -0.058 0.000 2.057 298 K HA -0.063 4.256 4.320 -0.001 0.000 0.207 298 K C 2.086 178.696 176.600 0.017 0.000 1.049 298 K CA 1.279 57.546 56.287 -0.033 0.000 0.931 298 K CB -0.420 32.151 32.500 0.118 0.000 0.714 298 K HN 0.496 nan 8.250 nan 0.000 0.440 299 A N 1.267 124.091 122.820 0.008 0.000 1.873 299 A HA -0.135 4.185 4.320 -0.001 0.000 0.215 299 A C 2.264 179.871 177.584 0.040 0.000 1.186 299 A CA 1.723 53.794 52.037 0.057 0.000 0.616 299 A CB -0.571 18.520 19.000 0.152 0.000 0.823 299 A HN 0.162 nan 8.150 nan 0.000 0.442 300 S N 0.049 115.650 115.700 -0.165 0.000 2.359 300 S HA -0.123 4.347 4.470 -0.001 0.000 0.224 300 S C 2.315 176.865 174.600 -0.084 0.000 1.035 300 S CA 1.403 59.474 58.200 -0.214 0.000 1.018 300 S CB -0.535 62.389 63.200 -0.460 0.000 0.876 300 S HN 0.809 nan 8.310 nan 0.000 0.448 301 A N 1.433 124.215 122.820 -0.064 0.000 1.902 301 A HA 0.125 4.444 4.320 -0.001 0.000 0.217 301 A C 2.347 179.997 177.584 0.110 0.000 1.181 301 A CA 1.698 53.762 52.037 0.045 0.000 0.623 301 A CB -1.041 17.985 19.000 0.043 0.000 0.818 301 A HN 0.525 nan 8.150 nan 0.000 0.443 302 A N -1.172 121.723 122.820 0.125 0.000 1.969 302 A HA -0.138 4.181 4.320 -0.001 0.000 0.218 302 A C 2.265 179.888 177.584 0.066 0.000 1.169 302 A CA 1.560 53.554 52.037 -0.072 0.000 0.635 302 A CB -1.203 17.410 19.000 -0.645 0.000 0.810 302 A HN 0.584 nan 8.150 nan 0.000 0.445 303 C N -0.812 118.618 119.300 0.217 0.000 2.429 303 C HA -0.097 4.363 4.460 -0.001 0.000 0.277 303 C C 2.911 177.919 174.990 0.029 0.000 1.262 303 C CA 1.200 60.358 59.018 0.233 0.000 1.733 303 C CB -1.247 26.583 27.740 0.149 0.000 2.010 303 C HN 0.621 nan 8.230 nan 0.000 0.483 304 R N 0.976 121.408 120.500 -0.113 0.000 2.075 304 R HA -0.056 4.283 4.340 -0.001 0.000 0.232 304 R C 2.358 178.397 176.300 -0.435 0.000 1.126 304 R CA 1.515 57.432 56.100 -0.306 0.000 0.963 304 R CB -0.503 29.513 30.300 -0.474 0.000 0.858 304 R HN 0.526 nan 8.270 nan 0.000 0.435 305 A N 1.255 123.831 122.820 -0.407 0.000 1.969 305 A HA -0.022 4.298 4.320 -0.001 0.000 0.218 305 A C 2.200 179.755 177.584 -0.048 0.000 1.169 305 A CA 1.539 53.471 52.037 -0.174 0.000 0.635 305 A CB -0.344 18.643 19.000 -0.020 0.000 0.810 305 A HN 0.373 nan 8.150 nan 0.000 0.445 306 A N -1.294 121.521 122.820 -0.009 0.000 2.218 306 A HA 0.265 4.584 4.320 -0.001 0.000 0.209 306 A C 1.009 178.609 177.584 0.025 0.000 1.168 306 A CA 0.756 52.819 52.037 0.043 0.000 0.804 306 A CB -0.376 18.716 19.000 0.153 0.000 0.834 306 A HN 0.475 nan 8.150 nan 0.000 0.482 307 K N -1.498 118.900 120.400 -0.003 0.000 3.129 307 K HA -0.161 4.159 4.320 -0.001 0.000 0.273 307 K C -0.968 175.636 176.600 0.006 0.000 1.123 307 K CA 0.269 56.554 56.287 -0.003 0.000 0.800 307 K CB -1.916 30.588 32.500 0.007 0.000 1.238 307 K HN 0.333 nan 8.250 nan 0.000 0.492 308 L N 1.653 122.887 121.223 0.019 0.000 2.426 308 L HA 0.066 4.405 4.340 -0.001 0.000 0.271 308 L C 0.961 177.832 176.870 0.003 0.000 1.169 308 L CA 0.687 55.536 54.840 0.016 0.000 0.836 308 L CB 0.651 42.731 42.059 0.035 0.000 1.112 308 L HN 0.053 nan 8.230 nan 0.000 0.465 309 Q N 2.840 122.637 119.800 -0.006 0.000 2.274 309 Q HA 0.110 4.450 4.340 -0.001 0.000 0.256 309 Q C -0.284 175.704 176.000 -0.021 0.000 0.927 309 Q CA -0.278 55.517 55.803 -0.013 0.000 0.939 309 Q CB 0.827 29.555 28.738 -0.018 0.000 1.201 309 Q HN 0.525 nan 8.270 nan 0.000 0.426 310 D N 1.522 121.911 120.400 -0.018 0.000 2.927 310 D HA -0.177 4.463 4.640 -0.001 0.000 0.236 310 D C -1.092 175.193 176.300 -0.025 0.000 1.163 310 D CA 0.240 54.227 54.000 -0.022 0.000 0.801 310 D CB -0.625 40.154 40.800 -0.036 0.000 0.975 310 D HN 0.532 nan 8.370 nan 0.000 0.413 311 C N 2.100 121.392 119.300 -0.013 0.000 2.442 311 C HA 0.350 4.810 4.460 -0.001 0.000 0.362 311 C C 0.917 175.906 174.990 -0.002 0.000 1.242 311 C CA -0.220 58.789 59.018 -0.015 0.000 1.741 311 C CB -0.022 27.715 27.740 -0.004 0.000 2.378 311 C HN 0.349 nan 8.230 nan 0.000 0.549 312 T N 6.559 121.107 114.554 -0.009 0.000 2.771 312 T HA 0.533 4.882 4.350 -0.001 0.000 0.281 312 T C -0.097 174.634 174.700 0.051 0.000 0.982 312 T CA -0.193 61.933 62.100 0.042 0.000 0.978 312 T CB 0.777 69.648 68.868 0.006 0.000 0.930 312 T HN 0.535 nan 8.240 nan 0.000 0.447 313 M N 2.967 122.645 119.600 0.130 0.000 2.664 313 M HA 0.654 5.133 4.480 -0.001 0.000 0.314 313 M C -1.300 175.130 176.300 0.218 0.000 1.200 313 M CA -1.207 54.162 55.300 0.115 0.000 0.916 313 M CB 2.028 34.681 32.600 0.088 0.000 1.717 313 M HN 0.304 nan 8.290 nan 0.000 0.470 314 L N 2.108 123.415 121.223 0.141 0.000 2.404 314 L HA 0.656 4.995 4.340 -0.001 0.000 0.272 314 L C -1.559 175.318 176.870 0.013 0.000 0.980 314 L CA -0.468 54.445 54.840 0.121 0.000 0.836 314 L CB 1.784 43.943 42.059 0.166 0.000 1.238 314 L HN 0.490 nan 8.230 nan 0.000 0.408 315 V N 4.398 124.296 119.914 -0.027 0.000 2.540 315 V HA 0.599 4.718 4.120 -0.001 0.000 0.302 315 V C -0.726 175.190 176.094 -0.298 0.000 1.035 315 V CA -0.621 61.636 62.300 -0.071 0.000 0.873 315 V CB 2.046 33.918 31.823 0.082 0.000 0.992 315 V HN 0.794 nan 8.190 nan 0.000 0.428 316 N N 3.483 121.954 118.700 -0.382 0.000 2.648 316 N HA 0.605 5.344 4.740 -0.001 0.000 0.261 316 N C 0.460 175.826 175.510 -0.241 0.000 1.138 316 N CA 0.558 53.125 53.050 -0.805 0.000 0.804 316 N CB 1.667 39.538 38.487 -1.026 0.000 1.237 316 N HN 1.086 nan 8.380 nan 0.000 0.532 317 G N 2.166 110.994 108.800 0.046 0.000 2.561 317 G HA2 -0.381 3.578 3.960 -0.001 0.000 0.289 317 G HA3 -0.381 3.578 3.960 -0.001 0.000 0.289 317 G C 0.492 175.250 174.900 -0.238 0.000 1.169 317 G CA 0.621 45.739 45.100 0.029 0.000 0.980 317 G HN 0.588 nan 8.290 nan 0.000 0.550 318 D N 1.234 121.414 120.400 -0.366 0.000 2.349 318 D HA 0.070 4.709 4.640 -0.001 0.000 0.224 318 D C 0.394 176.575 176.300 -0.198 0.000 1.029 318 D CA 0.876 54.492 54.000 -0.641 0.000 0.879 318 D CB -0.111 40.337 40.800 -0.587 0.000 0.906 318 D HN 0.410 nan 8.370 nan 0.000 0.528 319 D N 0.711 121.045 120.400 -0.110 0.000 2.295 319 D HA 0.287 4.926 4.640 -0.001 0.000 0.248 319 D C -0.965 175.319 176.300 -0.026 0.000 1.154 319 D CA -0.544 53.434 54.000 -0.037 0.000 0.857 319 D CB 1.190 41.961 40.800 -0.047 0.000 1.117 319 D HN 0.056 nan 8.370 nan 0.000 0.468 320 L N 5.130 126.379 121.223 0.044 0.000 2.385 320 L HA 0.511 4.851 4.340 -0.001 0.000 0.273 320 L C -1.696 175.163 176.870 -0.018 0.000 0.990 320 L CA -0.758 54.110 54.840 0.047 0.000 0.821 320 L CB 1.893 44.047 42.059 0.158 0.000 1.279 320 L HN 0.141 nan 8.230 nan 0.000 0.412 321 V N 6.171 126.033 119.914 -0.088 0.000 2.577 321 V HA 0.794 4.913 4.120 -0.001 0.000 0.303 321 V C -1.524 174.410 176.094 -0.267 0.000 1.042 321 V CA -0.299 61.891 62.300 -0.184 0.000 0.872 321 V CB 2.159 33.918 31.823 -0.106 0.000 0.998 321 V HN 0.599 nan 8.190 nan 0.000 0.423 322 V N 7.801 127.381 119.914 -0.558 0.000 2.540 322 V HA 0.599 4.718 4.120 -0.001 0.000 0.302 322 V C -0.295 175.586 176.094 -0.354 0.000 1.035 322 V CA -0.465 61.518 62.300 -0.528 0.000 0.873 322 V CB 1.844 33.141 31.823 -0.876 0.000 0.992 322 V HN 0.797 nan 8.190 nan 0.000 0.428 323 I N 5.037 125.513 120.570 -0.156 0.000 2.410 323 I HA 0.612 4.781 4.170 -0.001 0.000 0.286 323 I C -0.058 176.008 176.117 -0.086 0.000 1.009 323 I CA -0.287 60.972 61.300 -0.068 0.000 1.111 323 I CB 1.521 39.516 38.000 -0.010 0.000 1.262 323 I HN 0.874 nan 8.210 nan 0.000 0.443 324 C N 2.621 121.872 119.300 -0.081 0.000 3.307 324 C HA 0.592 5.051 4.460 -0.001 0.000 0.350 324 C C -0.353 174.571 174.990 -0.111 0.000 1.549 324 C CA -0.891 58.081 59.018 -0.076 0.000 1.396 324 C CB 1.827 29.554 27.740 -0.022 0.000 1.970 324 C HN 0.594 nan 8.230 nan 0.000 0.441 325 E N 1.831 121.982 120.200 -0.083 0.000 2.259 325 E HA 0.284 4.633 4.350 -0.001 0.000 0.281 325 E C 0.085 176.657 176.600 -0.047 0.000 1.037 325 E CA 0.507 56.856 56.400 -0.084 0.000 0.854 325 E CB 1.630 31.292 29.700 -0.064 0.000 1.051 325 E HN 0.715 nan 8.360 nan 0.000 0.409 326 S N 1.769 117.448 115.700 -0.034 0.000 2.576 326 S HA 0.320 4.790 4.470 -0.001 0.000 0.276 326 S C 0.333 174.943 174.600 0.017 0.000 1.339 326 S CA 0.084 58.306 58.200 0.038 0.000 1.039 326 S CB 0.628 63.907 63.200 0.132 0.000 0.902 326 S HN 0.512 nan 8.310 nan 0.000 0.516 327 A N 2.926 125.764 122.820 0.029 0.000 2.606 327 A HA 0.659 4.978 4.320 -0.001 0.000 0.290 327 A C 0.712 178.300 177.584 0.007 0.000 1.174 327 A CA 0.121 52.163 52.037 0.008 0.000 0.958 327 A CB -0.684 18.318 19.000 0.004 0.000 1.194 327 A HN 1.922 nan 8.150 nan 0.000 0.526 328 G N -1.372 107.435 108.800 0.011 0.000 3.067 328 G HA2 0.115 4.074 3.960 -0.001 0.000 0.686 328 G HA3 0.115 4.074 3.960 -0.001 0.000 0.686 328 G C 0.616 175.523 174.900 0.012 0.000 1.119 328 G CA -0.029 45.062 45.100 -0.016 0.000 0.790 328 G HN 1.244 nan 8.290 nan 0.000 0.605 329 V N 2.007 121.898 119.914 -0.037 0.000 2.250 329 V HA -0.293 3.826 4.120 -0.001 0.000 0.253 329 V C 2.693 178.819 176.094 0.054 0.000 1.065 329 V CA 3.239 65.554 62.300 0.026 0.000 1.039 329 V CB -0.316 31.465 31.823 -0.071 0.000 0.647 329 V HN 0.842 nan 8.190 nan 0.000 0.446 330 Q N -0.652 119.157 119.800 0.014 0.000 2.084 330 Q HA -0.232 4.107 4.340 -0.001 0.000 0.202 330 Q C 2.213 178.221 176.000 0.012 0.000 0.978 330 Q CA 2.174 57.984 55.803 0.012 0.000 0.844 330 Q CB -0.469 28.269 28.738 0.000 0.000 0.898 330 Q HN 0.816 nan 8.270 nan 0.000 0.426 331 E N 1.156 121.362 120.200 0.011 0.000 2.072 331 E HA -0.146 4.204 4.350 -0.001 0.000 0.191 331 E C 1.358 177.961 176.600 0.005 0.000 0.985 331 E CA 1.190 57.594 56.400 0.006 0.000 0.801 331 E CB -0.056 29.646 29.700 0.004 0.000 0.750 331 E HN 0.223 nan 8.360 nan 0.000 0.452 332 D N -0.032 120.384 120.400 0.025 0.000 2.117 332 D HA -0.147 4.492 4.640 -0.001 0.000 0.197 332 D C 1.775 178.053 176.300 -0.037 0.000 0.987 332 D CA 1.552 55.556 54.000 0.007 0.000 0.829 332 D CB -0.512 40.334 40.800 0.078 0.000 0.961 332 D HN 0.307 nan 8.370 nan 0.000 0.460 333 A N 1.109 123.926 122.820 -0.005 0.000 1.908 333 A HA -0.117 4.203 4.320 -0.001 0.000 0.218 333 A C 2.320 179.884 177.584 -0.034 0.000 1.181 333 A CA 2.411 54.434 52.037 -0.023 0.000 0.627 333 A CB -0.695 18.308 19.000 0.005 0.000 0.818 333 A HN 0.255 nan 8.150 nan 0.000 0.445 334 A N -0.832 121.976 122.820 -0.020 0.000 1.930 334 A HA 0.000 4.319 4.320 -0.001 0.000 0.217 334 A C 2.409 179.980 177.584 -0.022 0.000 1.175 334 A CA 1.863 53.890 52.037 -0.016 0.000 0.627 334 A CB -0.708 18.287 19.000 -0.008 0.000 0.815 334 A HN 0.450 nan 8.150 nan 0.000 0.443 335 S N 0.073 115.752 115.700 -0.035 0.000 2.368 335 S HA -0.053 4.416 4.470 -0.001 0.000 0.224 335 S C 1.761 176.328 174.600 -0.054 0.000 1.029 335 S CA 1.284 59.462 58.200 -0.037 0.000 0.988 335 S CB -0.388 62.782 63.200 -0.050 0.000 0.838 335 S HN 0.525 nan 8.310 nan 0.000 0.462 336 L N 0.557 121.693 121.223 -0.145 0.000 2.141 336 L HA -0.012 4.328 4.340 -0.001 0.000 0.209 336 L C 2.641 179.507 176.870 -0.007 0.000 1.094 336 L CA 1.020 55.735 54.840 -0.209 0.000 0.763 336 L CB -0.384 41.451 42.059 -0.374 0.000 0.908 336 L HN 0.212 nan 8.230 nan 0.000 0.437 337 R N -0.062 120.433 120.500 -0.008 0.000 2.115 337 R HA -0.061 4.279 4.340 -0.001 0.000 0.226 337 R C 2.408 178.724 176.300 0.026 0.000 1.100 337 R CA 1.269 57.380 56.100 0.019 0.000 0.980 337 R CB -0.200 30.101 30.300 0.002 0.000 0.875 337 R HN 0.326 nan 8.270 nan 0.000 0.445 338 A N -0.216 122.619 122.820 0.024 0.000 1.929 338 A HA -0.132 4.187 4.320 -0.001 0.000 0.216 338 A C 1.894 179.492 177.584 0.023 0.000 1.176 338 A CA 0.794 52.838 52.037 0.012 0.000 0.628 338 A CB -0.567 18.441 19.000 0.014 0.000 0.816 338 A HN 0.400 nan 8.150 nan 0.000 0.444 339 F N 1.407 121.308 119.950 -0.082 0.000 2.102 339 F HA -0.155 4.370 4.527 -0.002 0.000 0.298 339 F C 2.436 178.184 175.800 -0.087 0.000 1.105 339 F CA 2.331 60.282 58.000 -0.082 0.000 1.239 339 F CB -0.612 38.337 39.000 -0.084 0.000 0.991 339 F HN 0.192 nan 8.300 nan 0.000 0.474 340 T N 0.109 114.730 114.554 0.112 0.000 2.788 340 T HA -0.191 4.159 4.350 -0.001 0.000 0.268 340 T C 1.724 176.397 174.700 -0.045 0.000 1.044 340 T CA 1.768 63.930 62.100 0.103 0.000 1.139 340 T CB -0.326 68.687 68.868 0.242 0.000 0.867 340 T HN 0.404 nan 8.240 nan 0.000 0.454 341 E N 0.877 121.035 120.200 -0.070 0.000 2.106 341 E HA -0.041 4.309 4.350 -0.001 0.000 0.192 341 E C 2.548 179.013 176.600 -0.225 0.000 0.984 341 E CA 0.924 57.259 56.400 -0.108 0.000 0.806 341 E CB -0.178 29.474 29.700 -0.081 0.000 0.750 341 E HN 0.480 nan 8.360 nan 0.000 0.458 342 A N 1.339 123.968 122.820 -0.318 0.000 1.855 342 A HA -0.176 4.144 4.320 -0.001 0.000 0.215 342 A C 2.166 179.317 177.584 -0.722 0.000 1.191 342 A CA 1.174 52.882 52.037 -0.548 0.000 0.613 342 A CB -0.327 18.389 19.000 -0.474 0.000 0.829 342 A HN 0.108 nan 8.150 nan 0.000 0.442 343 M N -0.075 119.205 119.600 -0.534 0.000 2.144 343 M HA -0.138 4.341 4.480 -0.001 0.000 0.260 343 M C 2.155 178.367 176.300 -0.146 0.000 1.067 343 M CA 2.109 57.216 55.300 -0.322 0.000 1.095 343 M CB -1.943 30.393 32.600 -0.441 0.000 1.365 343 M HN 0.464 nan 8.290 nan 0.000 0.406 344 T N -0.112 114.357 114.554 -0.142 0.000 2.821 344 T HA -0.102 4.247 4.350 -0.001 0.000 0.267 344 T C 1.950 176.586 174.700 -0.107 0.000 1.046 344 T CA 1.049 63.107 62.100 -0.069 0.000 1.139 344 T CB -0.170 68.667 68.868 -0.051 0.000 0.871 344 T HN 0.393 nan 8.240 nan 0.000 0.454 345 R N -0.007 120.357 120.500 -0.227 0.000 2.148 345 R HA -0.034 4.306 4.340 -0.001 0.000 0.227 345 R C 1.534 177.770 176.300 -0.107 0.000 1.103 345 R CA 0.997 56.968 56.100 -0.214 0.000 0.983 345 R CB -0.223 29.880 30.300 -0.329 0.000 0.874 345 R HN 0.429 nan 8.270 nan 0.000 0.451 346 Y N 0.043 120.287 120.300 -0.093 0.000 2.529 346 Y HA 0.104 4.654 4.550 -0.000 0.000 0.290 346 Y C 0.836 176.687 175.900 -0.082 0.000 1.177 346 Y CA -0.394 57.645 58.100 -0.102 0.000 1.305 346 Y CB -0.134 38.293 38.460 -0.054 0.000 1.047 346 Y HN -0.053 nan 8.280 nan 0.000 0.522 347 S N -0.115 115.624 115.700 0.065 0.000 3.968 347 S HA -0.083 4.387 4.470 -0.001 0.000 0.373 347 S C -0.047 174.574 174.600 0.035 0.000 0.974 347 S CA 0.464 58.688 58.200 0.039 0.000 1.124 347 S CB -1.424 61.785 63.200 0.016 0.000 0.862 347 S HN 0.735 nan 8.310 nan 0.000 0.492 348 A N 1.783 124.640 122.820 0.062 0.000 3.448 348 A HA 0.554 4.873 4.320 -0.001 0.000 0.232 348 A C -2.208 175.493 177.584 0.194 0.000 1.018 348 A CA -0.553 51.544 52.037 0.100 0.000 0.996 348 A CB 0.812 19.889 19.000 0.129 0.000 1.283 348 A HN 0.464 nan 8.150 nan 0.000 0.586 349 P HA 0.244 nan 4.420 nan 0.000 0.269 349 P C -2.921 174.456 177.300 0.128 0.000 1.215 349 P CA -0.705 62.461 63.100 0.110 0.000 0.780 349 P CB 0.543 32.242 31.700 -0.003 0.000 0.898 350 P HA 0.131 nan 4.420 nan 0.000 0.286 350 P C 0.768 178.009 177.300 -0.099 0.000 1.261 350 P CA -0.128 62.876 63.100 -0.160 0.000 0.821 350 P CB 1.205 32.722 31.700 -0.305 0.000 1.013 351 G N 2.218 110.956 108.800 -0.104 0.000 2.425 351 G HA2 -0.029 3.930 3.960 -0.001 0.000 0.213 351 G HA3 -0.029 3.930 3.960 -0.001 0.000 0.213 351 G C -0.094 174.769 174.900 -0.061 0.000 1.201 351 G CA 0.406 45.472 45.100 -0.055 0.000 0.799 351 G HN 0.494 nan 8.290 nan 0.000 0.534 352 D N 1.459 121.812 120.400 -0.078 0.000 2.308 352 D HA 0.343 4.982 4.640 -0.001 0.000 0.242 352 D C -2.410 173.846 176.300 -0.073 0.000 1.059 352 D CA -1.250 52.716 54.000 -0.057 0.000 0.830 352 D CB 1.857 42.634 40.800 -0.038 0.000 1.161 352 D HN 0.099 nan 8.370 nan 0.000 0.494 353 P HA 0.063 nan 4.420 nan 0.000 0.265 353 P C -2.331 174.973 177.300 0.007 0.000 1.187 353 P CA -0.739 62.354 63.100 -0.012 0.000 0.766 353 P CB -0.261 31.442 31.700 0.005 0.000 0.820 354 P HA 0.122 nan 4.420 nan 0.000 0.271 354 P C -0.680 176.638 177.300 0.029 0.000 1.218 354 P CA 0.078 63.245 63.100 0.111 0.000 0.780 354 P CB 0.909 32.773 31.700 0.273 0.000 0.901 355 Q N 3.515 123.347 119.800 0.053 0.000 2.321 355 Q HA 0.399 4.738 4.340 -0.001 0.000 0.270 355 Q C -2.536 173.474 176.000 0.017 0.000 1.032 355 Q CA -2.417 53.396 55.803 0.017 0.000 0.784 355 Q CB 2.344 31.100 28.738 0.031 0.000 1.264 355 Q HN 0.305 nan 8.270 nan 0.000 0.448 356 P HA 0.099 nan 4.420 nan 0.000 0.271 356 P C -0.976 176.201 177.300 -0.204 0.000 1.216 356 P CA 0.115 63.137 63.100 -0.130 0.000 0.771 356 P CB 1.054 32.669 31.700 -0.141 0.000 0.864 357 E N 2.176 122.199 120.200 -0.296 0.000 2.238 357 E HA 0.246 4.595 4.350 -0.001 0.000 0.267 357 E C -0.562 175.816 176.600 -0.370 0.000 0.887 357 E CA -0.503 55.764 56.400 -0.222 0.000 0.769 357 E CB 1.490 31.170 29.700 -0.033 0.000 1.187 357 E HN 0.445 nan 8.360 nan 0.000 0.416 358 Y N -0.304 120.150 120.300 0.256 0.000 2.588 358 Y HA 0.190 4.739 4.550 -0.001 0.000 0.247 358 Y C 0.197 176.355 175.900 0.431 0.000 1.157 358 Y CA -0.433 57.886 58.100 0.365 0.000 1.215 358 Y CB 1.092 39.660 38.460 0.180 0.000 1.245 358 Y HN 0.227 nan 8.280 nan 0.000 0.534 359 D N 0.706 121.261 120.400 0.258 0.000 2.469 359 D HA 0.104 4.743 4.640 -0.001 0.000 0.251 359 D C 0.782 176.855 176.300 -0.377 0.000 1.173 359 D CA -0.289 53.718 54.000 0.012 0.000 0.882 359 D CB 1.657 42.475 40.800 0.029 0.000 1.129 359 D HN 0.149 nan 8.370 nan 0.000 0.549 360 L N 4.516 125.151 121.223 -0.980 0.000 2.051 360 L HA -0.164 4.175 4.340 -0.001 0.000 0.214 360 L C 1.645 178.191 176.870 -0.540 0.000 1.076 360 L CA 2.065 56.190 54.840 -1.192 0.000 0.758 360 L CB -0.341 40.823 42.059 -1.491 0.000 0.890 360 L HN 0.509 nan 8.230 nan 0.000 0.433 361 E N -0.815 119.172 120.200 -0.355 0.000 2.265 361 E HA -0.185 4.164 4.350 -0.001 0.000 0.196 361 E C 2.045 178.554 176.600 -0.152 0.000 0.996 361 E CA 1.086 57.363 56.400 -0.206 0.000 0.832 361 E CB -0.200 29.424 29.700 -0.127 0.000 0.756 361 E HN 0.556 nan 8.360 nan 0.000 0.491 362 L N 0.766 121.903 121.223 -0.144 0.000 2.558 362 L HA 0.124 4.464 4.340 -0.001 0.000 0.225 362 L C 0.674 177.496 176.870 -0.081 0.000 1.128 362 L CA -0.080 54.710 54.840 -0.083 0.000 0.868 362 L CB 0.131 42.166 42.059 -0.040 0.000 1.006 362 L HN 0.043 nan 8.230 nan 0.000 0.454 363 I N 0.223 120.717 120.570 -0.127 0.000 2.337 363 I HA 0.071 4.241 4.170 -0.001 0.000 0.291 363 I C 0.068 176.138 176.117 -0.078 0.000 1.046 363 I CA 0.197 61.440 61.300 -0.095 0.000 1.324 363 I CB 1.090 39.014 38.000 -0.127 0.000 1.409 363 I HN -0.097 nan 8.210 nan 0.000 0.494 364 T N 5.326 119.855 114.554 -0.043 0.000 2.749 364 T HA 0.407 4.756 4.350 -0.001 0.000 0.287 364 T C -0.195 174.495 174.700 -0.016 0.000 0.970 364 T CA -0.552 61.531 62.100 -0.028 0.000 0.980 364 T CB 0.801 69.659 68.868 -0.017 0.000 0.924 364 T HN 0.723 nan 8.240 nan 0.000 0.456 365 S N 1.165 116.857 115.700 -0.014 0.000 2.571 365 S HA 0.437 4.906 4.470 -0.001 0.000 0.284 365 S C 0.197 174.803 174.600 0.010 0.000 1.128 365 S CA -0.783 57.410 58.200 -0.011 0.000 0.970 365 S CB 0.662 63.842 63.200 -0.035 0.000 1.039 365 S HN 0.880 nan 8.310 nan 0.000 0.485 366 C N 2.065 121.376 119.300 0.018 0.000 4.454 366 C HA -0.178 4.281 4.460 -0.001 0.000 0.298 366 C C 1.404 176.452 174.990 0.097 0.000 1.384 366 C CA 0.686 59.735 59.018 0.051 0.000 2.002 366 C CB -3.229 24.534 27.740 0.038 0.000 1.249 366 C HN 1.636 nan 8.230 nan 0.000 0.783 367 S N -1.784 113.958 115.700 0.070 0.000 3.270 367 S HA -0.206 4.263 4.470 -0.001 0.000 0.293 367 S C 0.352 174.990 174.600 0.064 0.000 1.278 367 S CA 1.365 59.604 58.200 0.064 0.000 1.038 367 S CB -0.805 62.448 63.200 0.088 0.000 1.218 367 S HN 0.997 nan 8.310 nan 0.000 0.659 368 S N 1.732 117.480 115.700 0.080 0.000 2.715 368 S HA 0.810 5.279 4.470 -0.001 0.000 0.307 368 S C -0.339 174.275 174.600 0.023 0.000 1.119 368 S CA -0.775 57.480 58.200 0.092 0.000 0.937 368 S CB 1.726 65.053 63.200 0.211 0.000 1.150 368 S HN 0.625 nan 8.310 nan 0.000 0.521 369 N N -0.865 117.836 118.700 0.002 0.000 2.591 369 N HA 0.340 5.079 4.740 -0.001 0.000 0.263 369 N C -1.754 173.690 175.510 -0.110 0.000 1.308 369 N CA -0.531 52.480 53.050 -0.065 0.000 0.837 369 N CB 0.998 39.438 38.487 -0.078 0.000 1.548 369 N HN 0.332 nan 8.380 nan 0.000 0.493 370 V N 0.561 120.382 119.914 -0.155 0.000 2.649 370 V HA 0.477 4.596 4.120 -0.001 0.000 0.292 370 V C 0.433 176.394 176.094 -0.222 0.000 1.055 370 V CA 0.089 62.275 62.300 -0.190 0.000 1.023 370 V CB 1.058 32.769 31.823 -0.186 0.000 0.992 370 V HN 0.860 nan 8.190 nan 0.000 0.480 371 S N 2.766 118.253 115.700 -0.355 0.000 2.720 371 S HA 0.817 5.286 4.470 -0.001 0.000 0.287 371 S C -1.382 173.089 174.600 -0.215 0.000 1.168 371 S CA -0.436 57.576 58.200 -0.314 0.000 0.832 371 S CB 2.051 65.006 63.200 -0.408 0.000 1.166 371 S HN 0.637 nan 8.310 nan 0.000 0.493 372 V N 0.749 120.643 119.914 -0.032 0.000 3.007 372 V HA 0.991 5.110 4.120 -0.001 0.000 0.311 372 V C -0.342 175.738 176.094 -0.023 0.000 1.120 372 V CA 0.342 62.591 62.300 -0.085 0.000 0.980 372 V CB 1.443 33.023 31.823 -0.405 0.000 1.033 372 V HN 1.351 nan 8.190 nan 0.000 0.429 373 A N 3.863 126.520 122.820 -0.270 0.000 2.583 373 A HA 0.959 5.279 4.320 -0.001 0.000 0.299 373 A C -1.687 175.434 177.584 -0.772 0.000 1.258 373 A CA -0.470 51.273 52.037 -0.490 0.000 0.682 373 A CB 1.622 20.167 19.000 -0.758 0.000 1.332 373 A HN 1.034 nan 8.150 nan 0.000 0.485 374 H N 0.102 118.820 119.070 -0.587 0.000 2.679 374 H HA 0.497 5.052 4.556 -0.001 0.000 0.360 374 H C -0.889 174.109 175.328 -0.551 0.000 1.105 374 H CA -0.342 55.383 56.048 -0.539 0.000 1.196 374 H CB 1.345 30.762 29.762 -0.574 0.000 1.636 374 H HN 0.806 nan 8.280 nan 0.000 0.531 375 D N 1.002 121.300 120.400 -0.171 0.000 2.425 375 D HA 0.256 4.895 4.640 -0.001 0.000 0.274 375 D C 1.403 177.757 176.300 0.091 0.000 1.242 375 D CA -0.274 53.689 54.000 -0.061 0.000 1.060 375 D CB 0.172 40.950 40.800 -0.037 0.000 1.112 375 D HN 0.489 nan 8.370 nan 0.000 0.561 376 A N -0.650 122.236 122.820 0.109 0.000 2.024 376 A HA -0.120 4.199 4.320 -0.001 0.000 0.220 376 A C 2.061 179.710 177.584 0.108 0.000 1.164 376 A CA 1.620 53.733 52.037 0.128 0.000 0.643 376 A CB -0.896 18.152 19.000 0.079 0.000 0.806 376 A HN 0.424 nan 8.150 nan 0.000 0.451 377 S N -1.793 113.953 115.700 0.078 0.000 2.603 377 S HA 0.338 4.807 4.470 -0.001 0.000 0.220 377 S C 1.498 176.141 174.600 0.072 0.000 0.967 377 S CA 0.854 59.090 58.200 0.060 0.000 0.920 377 S CB 0.004 63.227 63.200 0.038 0.000 0.773 377 S HN 1.557 nan 8.310 nan 0.000 0.529 378 G N 1.960 110.826 108.800 0.110 0.000 2.179 378 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.260 378 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.260 378 G C 0.139 175.120 174.900 0.134 0.000 0.977 378 G CA 0.433 45.600 45.100 0.112 0.000 0.641 378 G HN 0.528 nan 8.290 nan 0.000 0.533 379 K N 0.811 121.249 120.400 0.065 0.000 2.355 379 K HA 0.402 4.721 4.320 -0.001 0.000 0.270 379 K C 0.748 177.299 176.600 -0.082 0.000 1.003 379 K CA -0.594 55.704 56.287 0.019 0.000 0.957 379 K CB 0.276 32.773 32.500 -0.006 0.000 0.939 379 K HN 0.294 nan 8.250 nan 0.000 0.482 380 R N 1.822 122.225 120.500 -0.161 0.000 2.442 380 R HA 0.138 4.477 4.340 -0.001 0.000 0.291 380 R C -0.747 175.329 176.300 -0.374 0.000 1.069 380 R CA -0.234 55.611 56.100 -0.425 0.000 1.022 380 R CB 1.124 31.192 30.300 -0.386 0.000 0.976 380 R HN 0.356 nan 8.270 nan 0.000 0.443 381 V N 5.547 125.189 119.914 -0.454 0.000 2.524 381 V HA 0.327 4.447 4.120 -0.001 0.000 0.297 381 V C -1.383 174.572 176.094 -0.233 0.000 1.035 381 V CA -0.745 61.395 62.300 -0.267 0.000 0.867 381 V CB 1.084 32.802 31.823 -0.174 0.000 1.004 381 V HN 0.615 nan 8.190 nan 0.000 0.426 382 Y N 7.665 127.957 120.300 -0.013 0.000 2.309 382 Y HA 0.623 5.172 4.550 -0.001 0.000 0.327 382 Y C 0.144 176.108 175.900 0.107 0.000 1.172 382 Y CA 0.363 58.467 58.100 0.007 0.000 1.280 382 Y CB 1.036 39.458 38.460 -0.063 0.000 1.234 382 Y HN 0.823 nan 8.280 nan 0.000 0.512 383 Y N 0.487 120.835 120.300 0.081 0.000 2.638 383 Y HA 0.664 5.214 4.550 -0.001 0.000 0.335 383 Y C -2.184 173.763 175.900 0.079 0.000 1.155 383 Y CA -2.103 56.028 58.100 0.051 0.000 1.046 383 Y CB 0.613 39.075 38.460 0.002 0.000 1.303 383 Y HN 0.451 nan 8.280 nan 0.000 0.460 384 L N 2.017 123.276 121.223 0.060 0.000 2.312 384 L HA 0.775 5.115 4.340 -0.001 0.000 0.281 384 L C -0.028 176.980 176.870 0.230 0.000 1.070 384 L CA 0.444 55.316 54.840 0.052 0.000 0.805 384 L CB 1.419 43.563 42.059 0.142 0.000 1.174 384 L HN 1.035 nan 8.230 nan 0.000 0.434 385 T N 4.222 118.861 114.554 0.141 0.000 2.778 385 T HA 0.848 5.198 4.350 -0.001 0.000 0.293 385 T C -1.309 173.446 174.700 0.090 0.000 1.144 385 T CA -0.604 61.636 62.100 0.234 0.000 1.010 385 T CB 1.157 70.141 68.868 0.194 0.000 1.325 385 T HN 0.868 nan 8.240 nan 0.000 0.515 386 R N 0.541 121.039 120.500 -0.004 0.000 2.728 386 R HA 0.481 4.820 4.340 -0.001 0.000 0.274 386 R C -1.560 174.564 176.300 -0.295 0.000 1.030 386 R CA -0.997 55.009 56.100 -0.156 0.000 0.876 386 R CB 0.453 30.600 30.300 -0.255 0.000 1.259 386 R HN 0.524 nan 8.270 nan 0.000 0.468 387 D N 1.951 122.189 120.400 -0.271 0.000 2.450 387 D HA 0.053 4.692 4.640 -0.001 0.000 0.247 387 D C -1.346 174.608 176.300 -0.577 0.000 1.162 387 D CA -1.382 52.421 54.000 -0.328 0.000 0.879 387 D CB 1.307 41.992 40.800 -0.190 0.000 1.163 387 D HN 0.374 nan 8.370 nan 0.000 0.472 388 P HA -0.022 nan 4.420 nan 0.000 0.245 388 P C 1.121 178.111 177.300 -0.517 0.000 1.212 388 P CA 0.178 62.638 63.100 -1.067 0.000 0.774 388 P CB 0.339 31.292 31.700 -1.244 0.000 0.999 389 T N 0.181 114.548 114.554 -0.313 0.000 2.580 389 T HA -0.145 4.205 4.350 -0.001 0.000 0.265 389 T C 1.838 176.481 174.700 -0.096 0.000 1.063 389 T CA 2.488 64.500 62.100 -0.147 0.000 1.170 389 T CB -1.215 67.609 68.868 -0.073 0.000 0.863 389 T HN 0.188 nan 8.240 nan 0.000 0.418 390 T N 2.292 116.797 114.554 -0.081 0.000 2.746 390 T HA -0.063 4.286 4.350 -0.001 0.000 0.267 390 T C -0.571 174.093 174.700 -0.060 0.000 1.039 390 T CA 1.309 63.388 62.100 -0.034 0.000 1.142 390 T CB -1.177 67.701 68.868 0.017 0.000 0.866 390 T HN 0.337 nan 8.240 nan 0.000 0.444 391 P HA 0.021 nan 4.420 nan 0.000 0.216 391 P C 1.468 178.798 177.300 0.049 0.000 1.150 391 P CA 0.883 63.972 63.100 -0.019 0.000 0.837 391 P CB -0.140 31.486 31.700 -0.123 0.000 0.786 392 L N -1.546 119.663 121.223 -0.024 0.000 2.131 392 L HA -0.060 4.279 4.340 -0.001 0.000 0.206 392 L C 2.419 179.332 176.870 0.072 0.000 1.087 392 L CA 1.207 56.068 54.840 0.035 0.000 0.767 392 L CB -1.063 40.980 42.059 -0.028 0.000 0.917 392 L HN -0.054 nan 8.230 nan 0.000 0.441 393 A N 0.478 123.328 122.820 0.050 0.000 1.902 393 A HA -0.197 4.122 4.320 -0.001 0.000 0.217 393 A C 2.372 180.029 177.584 0.121 0.000 1.181 393 A CA 1.434 53.520 52.037 0.083 0.000 0.623 393 A CB -0.411 18.618 19.000 0.049 0.000 0.818 393 A HN 0.317 nan 8.150 nan 0.000 0.443 394 R N -0.592 119.954 120.500 0.077 0.000 2.115 394 R HA 0.025 4.365 4.340 -0.001 0.000 0.226 394 R C 2.414 178.871 176.300 0.261 0.000 1.100 394 R CA 0.981 57.144 56.100 0.106 0.000 0.980 394 R CB -0.398 29.903 30.300 0.000 0.000 0.875 394 R HN 0.503 nan 8.270 nan 0.000 0.445 395 A N 1.356 124.350 122.820 0.290 0.000 1.933 395 A HA -0.091 4.228 4.320 -0.001 0.000 0.218 395 A C 2.356 180.176 177.584 0.394 0.000 1.175 395 A CA 1.609 53.935 52.037 0.483 0.000 0.628 395 A CB -0.533 18.768 19.000 0.501 0.000 0.814 395 A HN 0.375 nan 8.150 nan 0.000 0.444 396 A N -1.344 121.613 122.820 0.227 0.000 1.898 396 A HA -0.169 4.150 4.320 -0.001 0.000 0.216 396 A C 2.091 179.774 177.584 0.166 0.000 1.181 396 A CA 1.370 53.489 52.037 0.136 0.000 0.620 396 A CB -0.811 18.254 19.000 0.107 0.000 0.819 396 A HN 0.836 nan 8.150 nan 0.000 0.442 397 W N 1.180 122.518 121.300 0.064 0.000 2.381 397 W HA -0.120 4.540 4.660 -0.001 0.000 0.301 397 W C 1.474 178.036 176.519 0.072 0.000 1.205 397 W CA 1.822 59.192 57.345 0.042 0.000 1.285 397 W CB -0.290 29.177 29.460 0.011 0.000 1.133 397 W HN 0.554 nan 8.180 nan 0.000 0.521 398 E N -0.685 119.779 120.200 0.441 0.000 2.478 398 E HA -0.107 4.242 4.350 -0.001 0.000 0.198 398 E C 1.871 178.642 176.600 0.285 0.000 1.046 398 E CA 1.152 57.781 56.400 0.382 0.000 0.870 398 E CB -0.100 29.877 29.700 0.463 0.000 0.818 398 E HN 0.075 nan 8.360 nan 0.000 0.527 399 T N 0.260 114.952 114.554 0.229 0.000 2.942 399 T HA -0.014 4.335 4.350 -0.001 0.000 0.265 399 T C 1.605 176.289 174.700 -0.027 0.000 1.062 399 T CA 1.170 63.340 62.100 0.117 0.000 1.139 399 T CB 0.144 69.084 68.868 0.120 0.000 0.883 399 T HN 0.207 nan 8.240 nan 0.000 0.468 400 A N 0.305 123.070 122.820 -0.092 0.000 2.469 400 A HA 0.417 4.736 4.320 -0.001 0.000 0.245 400 A C 0.574 178.053 177.584 -0.176 0.000 1.221 400 A CA -0.274 51.670 52.037 -0.156 0.000 0.946 400 A CB 0.552 19.426 19.000 -0.211 0.000 1.049 400 A HN 0.078 nan 8.150 nan 0.000 0.529 401 R N 0.239 120.648 120.500 -0.151 0.000 2.548 401 R HA 0.320 4.659 4.340 -0.001 0.000 0.280 401 R C -1.837 174.452 176.300 -0.017 0.000 1.061 401 R CA -0.507 55.557 56.100 -0.060 0.000 0.915 401 R CB 0.923 31.207 30.300 -0.027 0.000 1.210 401 R HN 0.455 nan 8.270 nan 0.000 0.442 402 H N 0.709 119.853 119.070 0.124 0.000 2.646 402 H HA 0.285 4.840 4.556 -0.001 0.000 0.325 402 H C 0.498 175.901 175.328 0.124 0.000 1.075 402 H CA 0.332 56.457 56.048 0.128 0.000 1.421 402 H CB 1.048 30.859 29.762 0.080 0.000 1.461 402 H HN 0.543 nan 8.280 nan 0.000 0.525 403 T N 0.042 114.719 114.554 0.204 0.000 2.924 403 T HA 0.274 4.624 4.350 -0.001 0.000 0.291 403 T C -1.683 173.044 174.700 0.046 0.000 1.045 403 T CA -2.182 59.992 62.100 0.123 0.000 1.015 403 T CB 1.675 70.611 68.868 0.113 0.000 1.103 403 T HN 0.233 nan 8.240 nan 0.000 0.496 404 P HA 0.042 nan 4.420 nan 0.000 0.216 404 P C -0.119 177.158 177.300 -0.038 0.000 1.150 404 P CA 0.555 63.618 63.100 -0.063 0.000 0.843 404 P CB 0.104 31.761 31.700 -0.072 0.000 0.787 405 V N 0.876 120.768 119.914 -0.036 0.000 2.487 405 V HA 0.213 4.332 4.120 -0.001 0.000 0.298 405 V C -0.215 175.833 176.094 -0.077 0.000 1.028 405 V CA -0.821 61.445 62.300 -0.057 0.000 0.860 405 V CB 1.672 33.461 31.823 -0.057 0.000 0.991 405 V HN -0.012 nan 8.190 nan 0.000 0.427 406 N N 3.134 121.738 118.700 -0.160 0.000 2.602 406 N HA 0.065 4.804 4.740 -0.001 0.000 0.238 406 N C 1.362 176.640 175.510 -0.388 0.000 1.084 406 N CA 0.175 53.049 53.050 -0.294 0.000 0.952 406 N CB 1.629 39.793 38.487 -0.538 0.000 1.244 406 N HN 0.832 nan 8.380 nan 0.000 0.512 407 S N 2.157 117.757 115.700 -0.167 0.000 2.399 407 S HA -0.127 4.343 4.470 -0.001 0.000 0.231 407 S C 1.829 176.388 174.600 -0.067 0.000 1.022 407 S CA 0.312 58.460 58.200 -0.087 0.000 0.983 407 S CB -0.401 62.800 63.200 0.002 0.000 0.803 407 S HN 0.797 nan 8.310 nan 0.000 0.480 408 W N 1.318 122.526 121.300 -0.153 0.000 2.363 408 W HA 0.007 4.666 4.660 -0.001 0.000 0.296 408 W C 1.709 178.140 176.519 -0.146 0.000 1.212 408 W CA 0.478 57.688 57.345 -0.225 0.000 1.260 408 W CB -1.007 27.926 29.460 -0.877 0.000 1.131 408 W HN 0.372 nan 8.180 nan 0.000 0.530 409 L N 2.859 123.450 121.223 -1.054 0.000 2.072 409 L HA 0.183 4.523 4.340 -0.001 0.000 0.205 409 L C 2.634 179.310 176.870 -0.323 0.000 1.079 409 L CA 2.764 57.069 54.840 -0.890 0.000 0.752 409 L CB -1.345 39.964 42.059 -1.250 0.000 0.906 409 L HN 0.032 nan 8.230 nan 0.000 0.436 410 G N -0.547 108.082 108.800 -0.286 0.000 2.421 410 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.216 410 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.216 410 G C 1.454 176.349 174.900 -0.008 0.000 1.171 410 G CA 0.783 45.797 45.100 -0.143 0.000 0.775 410 G HN 0.449 nan 8.290 nan 0.000 0.543 411 N N 0.547 119.309 118.700 0.102 0.000 2.188 411 N HA -0.017 4.722 4.740 -0.001 0.000 0.184 411 N C 2.236 177.888 175.510 0.237 0.000 1.018 411 N CA 0.630 53.865 53.050 0.309 0.000 0.858 411 N CB -0.130 38.633 38.487 0.461 0.000 0.989 411 N HN 0.340 nan 8.380 nan 0.000 0.426 412 I N 1.062 121.737 120.570 0.176 0.000 2.179 412 I HA -0.219 3.950 4.170 -0.001 0.000 0.242 412 I C 2.055 178.227 176.117 0.092 0.000 1.088 412 I CA 0.876 62.265 61.300 0.148 0.000 1.357 412 I CB -0.165 37.991 38.000 0.260 0.000 1.051 412 I HN 0.032 nan 8.210 nan 0.000 0.409 413 I N 0.046 120.670 120.570 0.090 0.000 2.163 413 I HA -0.322 3.847 4.170 -0.001 0.000 0.243 413 I C 2.502 178.711 176.117 0.153 0.000 1.085 413 I CA 1.331 62.708 61.300 0.128 0.000 1.347 413 I CB -0.252 37.798 38.000 0.083 0.000 1.044 413 I HN 0.248 nan 8.210 nan 0.000 0.408 414 M N -0.824 118.772 119.600 -0.006 0.000 2.288 414 M HA -0.091 4.388 4.480 -0.001 0.000 0.266 414 M C 0.986 177.025 176.300 -0.435 0.000 1.072 414 M CA 1.631 56.802 55.300 -0.215 0.000 1.132 414 M CB -0.635 31.704 32.600 -0.434 0.000 1.386 414 M HN 0.188 nan 8.290 nan 0.000 0.432 415 Y N -0.591 119.693 120.300 -0.026 0.000 2.734 415 Y HA 0.486 5.036 4.550 -0.001 0.000 0.278 415 Y C 1.741 177.379 175.900 -0.437 0.000 1.108 415 Y CA -0.451 57.519 58.100 -0.218 0.000 1.211 415 Y CB -0.917 37.379 38.460 -0.273 0.000 1.182 415 Y HN 0.141 nan 8.280 nan 0.000 0.547 416 A N 0.765 123.381 122.820 -0.339 0.000 1.986 416 A HA -0.141 4.178 4.320 -0.001 0.000 0.220 416 A C -0.433 176.891 177.584 -0.433 0.000 1.171 416 A CA 1.607 53.429 52.037 -0.360 0.000 0.640 416 A CB -1.239 17.578 19.000 -0.304 0.000 0.811 416 A HN 0.287 nan 8.150 nan 0.000 0.451 417 P HA 0.006 nan 4.420 nan 0.000 0.229 417 P C 0.772 177.830 177.300 -0.404 0.000 1.160 417 P CA 1.262 64.100 63.100 -0.436 0.000 0.777 417 P CB -0.327 31.132 31.700 -0.402 0.000 0.814 418 T N -2.377 111.943 114.554 -0.390 0.000 2.856 418 T HA 0.084 4.434 4.350 -0.001 0.000 0.306 418 T C 1.120 175.427 174.700 -0.655 0.000 1.062 418 T CA -0.551 61.264 62.100 -0.475 0.000 1.083 418 T CB 0.566 68.947 68.868 -0.812 0.000 0.984 418 T HN -0.134 nan 8.240 nan 0.000 0.542 419 L N 2.177 122.899 121.223 -0.836 0.000 2.056 419 L HA 0.083 4.422 4.340 -0.001 0.000 0.207 419 L C 2.467 179.038 176.870 -0.498 0.000 1.078 419 L CA 1.415 55.771 54.840 -0.807 0.000 0.749 419 L CB -0.794 40.626 42.059 -1.066 0.000 0.901 419 L HN 0.919 nan 8.230 nan 0.000 0.433 420 W N -0.329 120.763 121.300 -0.346 0.000 2.363 420 W HA -0.045 4.614 4.660 -0.001 0.000 0.296 420 W C 1.972 178.365 176.519 -0.210 0.000 1.212 420 W CA 0.837 58.021 57.345 -0.269 0.000 1.260 420 W CB -1.365 27.972 29.460 -0.204 0.000 1.131 420 W HN 0.335 nan 8.180 nan 0.000 0.530 421 A N 1.812 124.221 122.820 -0.685 0.000 1.898 421 A HA -0.116 4.203 4.320 -0.001 0.000 0.216 421 A C 2.253 179.713 177.584 -0.207 0.000 1.181 421 A CA 1.711 53.470 52.037 -0.463 0.000 0.620 421 A CB -0.726 17.802 19.000 -0.786 0.000 0.819 421 A HN 0.305 nan 8.150 nan 0.000 0.442 422 R N -1.218 119.087 120.500 -0.325 0.000 2.057 422 R HA 0.005 4.344 4.340 -0.001 0.000 0.229 422 R C 2.409 178.587 176.300 -0.204 0.000 1.136 422 R CA 1.565 57.520 56.100 -0.241 0.000 0.952 422 R CB -0.434 29.588 30.300 -0.464 0.000 0.848 422 R HN 0.647 nan 8.270 nan 0.000 0.430 423 M N 0.460 119.759 119.600 -0.502 0.000 2.117 423 M HA -0.136 4.344 4.480 -0.001 0.000 0.262 423 M C 1.610 177.743 176.300 -0.279 0.000 1.065 423 M CA 1.871 56.900 55.300 -0.452 0.000 1.114 423 M CB 0.143 32.464 32.600 -0.465 0.000 1.361 423 M HN 0.102 nan 8.290 nan 0.000 0.408 424 I N -0.761 119.530 120.570 -0.465 0.000 3.098 424 I HA -0.117 4.052 4.170 -0.001 0.000 0.241 424 I C 2.151 178.117 176.117 -0.251 0.000 1.081 424 I CA 0.203 61.001 61.300 -0.836 0.000 1.487 424 I CB -0.536 37.003 38.000 -0.768 0.000 1.366 424 I HN 0.209 nan 8.210 nan 0.000 0.463 425 L N 0.417 121.677 121.223 0.062 0.000 1.990 425 L HA -0.274 4.065 4.340 -0.001 0.000 0.213 425 L C 2.732 179.915 176.870 0.522 0.000 1.072 425 L CA 1.849 56.923 54.840 0.390 0.000 0.755 425 L CB -0.539 41.780 42.059 0.432 0.000 0.889 425 L HN 0.330 nan 8.230 nan 0.000 0.432 426 M N -1.034 118.841 119.600 0.457 0.000 2.067 426 M HA -0.180 4.299 4.480 -0.001 0.000 0.260 426 M C 2.334 179.148 176.300 0.857 0.000 1.069 426 M CA 2.133 57.818 55.300 0.641 0.000 1.117 426 M CB -0.630 32.188 32.600 0.364 0.000 1.334 426 M HN 0.280 nan 8.290 nan 0.000 0.407 427 T N -1.241 113.772 114.554 0.765 0.000 2.622 427 T HA -0.238 4.111 4.350 -0.001 0.000 0.266 427 T C 1.657 176.618 174.700 0.435 0.000 1.047 427 T CA 1.987 64.445 62.100 0.596 0.000 1.159 427 T CB -0.645 68.625 68.868 0.671 0.000 0.863 427 T HN 0.447 nan 8.240 nan 0.000 0.422 428 H N 0.519 119.756 119.070 0.278 0.000 2.265 428 H HA -0.073 4.483 4.556 -0.001 0.000 0.295 428 H C 1.809 176.998 175.328 -0.231 0.000 1.084 428 H CA 1.782 57.859 56.048 0.048 0.000 1.261 428 H CB -0.567 29.087 29.762 -0.180 0.000 1.360 428 H HN 0.354 nan 8.280 nan 0.000 0.487 429 F N -1.265 118.635 119.950 -0.083 0.000 2.325 429 F HA -0.014 4.512 4.527 -0.001 0.000 0.299 429 F C 1.966 177.576 175.800 -0.316 0.000 1.090 429 F CA 0.512 58.223 58.000 -0.482 0.000 1.392 429 F CB -0.443 37.875 39.000 -1.136 0.000 1.053 429 F HN 0.149 nan 8.300 nan 0.000 0.521 430 F N -0.650 119.374 119.950 0.123 0.000 2.325 430 F HA -0.138 4.388 4.527 -0.001 0.000 0.299 430 F C 2.687 178.507 175.800 0.033 0.000 1.090 430 F CA 1.265 59.361 58.000 0.160 0.000 1.392 430 F CB -0.797 38.410 39.000 0.344 0.000 1.053 430 F HN -0.089 nan 8.300 nan 0.000 0.521 431 S N 0.466 116.222 115.700 0.093 0.000 2.356 431 S HA -0.187 4.283 4.470 -0.001 0.000 0.223 431 S C 2.175 176.723 174.600 -0.087 0.000 1.032 431 S CA 1.460 59.647 58.200 -0.021 0.000 1.005 431 S CB -0.460 62.697 63.200 -0.072 0.000 0.867 431 S HN 0.342 nan 8.310 nan 0.000 0.449 432 I N 1.202 121.655 120.570 -0.195 0.000 2.226 432 I HA -0.174 3.996 4.170 -0.001 0.000 0.245 432 I C 2.253 178.321 176.117 -0.082 0.000 1.100 432 I CA 1.140 62.328 61.300 -0.187 0.000 1.374 432 I CB -0.316 37.504 38.000 -0.300 0.000 1.057 432 I HN 0.333 nan 8.210 nan 0.000 0.413 433 L N -0.009 121.168 121.223 -0.076 0.000 2.046 433 L HA -0.232 4.108 4.340 -0.001 0.000 0.208 433 L C 2.535 179.415 176.870 0.015 0.000 1.077 433 L CA 1.281 56.103 54.840 -0.029 0.000 0.747 433 L CB -0.535 41.461 42.059 -0.104 0.000 0.896 433 L HN 0.279 nan 8.230 nan 0.000 0.432 434 L N -0.216 121.028 121.223 0.034 0.000 2.017 434 L HA -0.213 4.127 4.340 -0.001 0.000 0.208 434 L C 2.862 179.747 176.870 0.024 0.000 1.073 434 L CA 1.313 56.184 54.840 0.052 0.000 0.745 434 L CB -0.656 41.440 42.059 0.062 0.000 0.894 434 L HN 0.248 nan 8.230 nan 0.000 0.432 435 A N -1.090 121.731 122.820 0.002 0.000 2.024 435 A HA -0.191 4.128 4.320 -0.001 0.000 0.220 435 A C 2.016 179.604 177.584 0.006 0.000 1.164 435 A CA 1.376 53.410 52.037 -0.005 0.000 0.643 435 A CB -0.187 18.798 19.000 -0.025 0.000 0.806 435 A HN 0.469 nan 8.150 nan 0.000 0.451 436 Q N -0.813 118.996 119.800 0.015 0.000 2.247 436 Q HA 0.100 4.440 4.340 -0.001 0.000 0.211 436 Q C -0.643 175.379 176.000 0.036 0.000 0.861 436 Q CA 0.256 56.077 55.803 0.029 0.000 0.949 436 Q CB 0.212 28.977 28.738 0.045 0.000 1.115 436 Q HN 0.783 nan 8.270 nan 0.000 0.507 437 E N 1.085 121.307 120.200 0.037 0.000 2.230 437 E HA -0.239 4.111 4.350 -0.001 0.000 0.206 437 E C -0.402 176.229 176.600 0.052 0.000 1.309 437 E CA 0.324 56.751 56.400 0.045 0.000 0.697 437 E CB -1.334 28.389 29.700 0.038 0.000 1.146 437 E HN 0.472 nan 8.360 nan 0.000 0.363 438 Q N -0.181 119.653 119.800 0.057 0.000 2.141 438 Q HA 0.225 4.564 4.340 -0.001 0.000 0.248 438 Q C 1.586 177.628 176.000 0.071 0.000 0.834 438 Q CA -0.243 55.600 55.803 0.067 0.000 1.096 438 Q CB 0.480 29.268 28.738 0.082 0.000 1.189 438 Q HN 0.383 nan 8.270 nan 0.000 0.471 439 L N 0.276 121.542 121.223 0.071 0.000 2.131 439 L HA -0.167 4.172 4.340 -0.001 0.000 0.210 439 L C 2.117 179.044 176.870 0.095 0.000 1.092 439 L CA 1.461 56.352 54.840 0.084 0.000 0.759 439 L CB -0.014 42.125 42.059 0.132 0.000 0.903 439 L HN 0.342 nan 8.230 nan 0.000 0.435 440 E N 0.356 120.607 120.200 0.084 0.000 2.479 440 E HA -0.062 4.288 4.350 -0.001 0.000 0.193 440 E C 0.755 177.399 176.600 0.073 0.000 1.049 440 E CA -0.157 56.290 56.400 0.078 0.000 0.870 440 E CB 0.429 30.170 29.700 0.067 0.000 0.944 440 E HN 0.138 nan 8.360 nan 0.000 0.492 441 K N 1.117 121.562 120.400 0.075 0.000 2.349 441 K HA 0.238 4.557 4.320 -0.001 0.000 0.288 441 K C -0.775 175.873 176.600 0.079 0.000 1.058 441 K CA -0.233 56.098 56.287 0.074 0.000 0.953 441 K CB 0.861 33.408 32.500 0.079 0.000 0.997 441 K HN 0.008 nan 8.250 nan 0.000 0.477 442 A N 5.637 128.501 122.820 0.073 0.000 2.450 442 A HA 0.315 4.634 4.320 -0.001 0.000 0.255 442 A C -0.457 177.168 177.584 0.068 0.000 1.096 442 A CA -0.293 51.787 52.037 0.072 0.000 0.778 442 A CB 0.081 19.129 19.000 0.079 0.000 1.031 442 A HN 0.765 nan 8.150 nan 0.000 0.494 443 L N 2.135 123.382 121.223 0.041 0.000 2.342 443 L HA 0.399 4.738 4.340 -0.001 0.000 0.271 443 L C -0.696 176.166 176.870 -0.013 0.000 1.008 443 L CA -1.088 53.761 54.840 0.014 0.000 0.818 443 L CB 1.923 43.964 42.059 -0.030 0.000 1.296 443 L HN 0.579 nan 8.230 nan 0.000 0.427 444 D N 1.190 121.591 120.400 0.001 0.000 2.256 444 D HA 0.449 5.088 4.640 -0.001 0.000 0.250 444 D C -0.387 175.865 176.300 -0.080 0.000 1.093 444 D CA -0.016 53.991 54.000 0.012 0.000 0.882 444 D CB 1.675 42.513 40.800 0.063 0.000 1.185 444 D HN 0.614 nan 8.370 nan 0.000 0.437 445 C N 0.328 119.581 119.300 -0.079 0.000 3.323 445 C HA 0.679 5.138 4.460 -0.001 0.000 0.324 445 C C -1.137 173.812 174.990 -0.069 0.000 1.428 445 C CA -0.827 58.108 59.018 -0.139 0.000 1.368 445 C CB 1.579 29.176 27.740 -0.239 0.000 1.731 445 C HN 0.520 nan 8.230 nan 0.000 0.455 446 Q N 0.459 120.212 119.800 -0.079 0.000 2.353 446 Q HA 0.736 5.075 4.340 -0.001 0.000 0.268 446 Q C -1.407 174.546 176.000 -0.078 0.000 1.045 446 Q CA -0.433 55.356 55.803 -0.022 0.000 0.811 446 Q CB 2.552 31.293 28.738 0.005 0.000 1.305 446 Q HN 0.735 nan 8.270 nan 0.000 0.447 447 I N 2.720 123.251 120.570 -0.066 0.000 2.468 447 I HA 0.194 4.364 4.170 -0.001 0.000 0.284 447 I C -1.097 175.036 176.117 0.027 0.000 1.038 447 I CA -0.793 60.366 61.300 -0.235 0.000 1.083 447 I CB 0.992 38.527 38.000 -0.774 0.000 1.223 447 I HN 0.651 nan 8.210 nan 0.000 0.443 448 Y N 5.125 125.468 120.300 0.073 0.000 3.389 448 Y HA -0.254 4.295 4.550 -0.001 0.000 0.213 448 Y C 1.462 177.344 175.900 -0.029 0.000 1.272 448 Y CA 1.100 59.235 58.100 0.059 0.000 1.444 448 Y CB -1.967 36.533 38.460 0.067 0.000 1.445 448 Y HN 0.982 nan 8.280 nan 0.000 0.583 449 G N -2.083 106.818 108.800 0.169 0.000 2.320 449 G HA2 -0.068 3.891 3.960 -0.001 0.000 0.242 449 G HA3 -0.068 3.891 3.960 -0.001 0.000 0.242 449 G C 0.569 175.542 174.900 0.121 0.000 1.033 449 G CA 0.259 45.426 45.100 0.112 0.000 0.620 449 G HN 1.602 nan 8.290 nan 0.000 0.517 450 A N -0.370 122.552 122.820 0.170 0.000 2.340 450 A HA 0.599 4.918 4.320 -0.001 0.000 0.268 450 A C 0.690 178.246 177.584 -0.047 0.000 1.100 450 A CA 0.586 52.639 52.037 0.027 0.000 0.803 450 A CB 0.807 19.793 19.000 -0.024 0.000 1.043 450 A HN 1.578 nan 8.150 nan 0.000 0.488 451 C N 2.568 121.761 119.300 -0.178 0.000 2.307 451 C HA 0.760 5.220 4.460 -0.001 0.000 0.340 451 C C -1.193 173.572 174.990 -0.376 0.000 1.275 451 C CA -0.535 58.426 59.018 -0.095 0.000 1.811 451 C CB -1.341 26.448 27.740 0.081 0.000 2.372 451 C HN 0.634 nan 8.230 nan 0.000 0.531 452 Y N 3.070 123.231 120.300 -0.232 0.000 2.425 452 Y HA 0.455 5.004 4.550 -0.001 0.000 0.344 452 Y C 0.449 176.251 175.900 -0.163 0.000 0.969 452 Y CA -0.420 57.485 58.100 -0.325 0.000 1.052 452 Y CB 1.775 39.958 38.460 -0.462 0.000 1.215 452 Y HN 0.591 nan 8.280 nan 0.000 0.451 453 S N 4.127 119.837 115.700 0.015 0.000 2.452 453 S HA 0.728 5.197 4.470 -0.001 0.000 0.284 453 S C -0.803 173.851 174.600 0.091 0.000 1.171 453 S CA -0.289 57.972 58.200 0.103 0.000 1.064 453 S CB -0.350 62.956 63.200 0.177 0.000 0.967 453 S HN 0.538 nan 8.310 nan 0.000 0.484 454 I N 3.769 124.377 120.570 0.063 0.000 2.619 454 I HA 0.358 4.528 4.170 -0.001 0.000 0.292 454 I C -0.419 175.732 176.117 0.057 0.000 1.100 454 I CA -0.711 60.633 61.300 0.074 0.000 1.043 454 I CB 2.380 40.419 38.000 0.065 0.000 1.239 454 I HN 0.549 nan 8.210 nan 0.000 0.420 455 E N 6.256 126.504 120.200 0.080 0.000 2.227 455 E HA 0.217 4.567 4.350 -0.001 0.000 0.282 455 E C -1.883 174.782 176.600 0.107 0.000 1.015 455 E CA -1.597 54.853 56.400 0.085 0.000 0.823 455 E CB 1.387 31.139 29.700 0.086 0.000 1.081 455 E HN 0.303 nan 8.360 nan 0.000 0.396 456 P HA -0.193 nan 4.420 nan 0.000 0.217 456 P C 1.071 178.544 177.300 0.288 0.000 1.148 456 P CA 1.136 64.343 63.100 0.178 0.000 0.828 456 P CB 0.205 31.939 31.700 0.056 0.000 0.783 457 L N -0.706 120.651 121.223 0.223 0.000 2.187 457 L HA -0.176 4.163 4.340 -0.001 0.000 0.213 457 L C 1.456 178.421 176.870 0.159 0.000 1.100 457 L CA 1.329 56.298 54.840 0.215 0.000 0.765 457 L CB -0.745 41.403 42.059 0.148 0.000 0.904 457 L HN 0.035 nan 8.230 nan 0.000 0.437 458 D N -0.421 120.060 120.400 0.135 0.000 2.349 458 D HA 0.001 4.640 4.640 -0.001 0.000 0.215 458 D C 2.300 178.662 176.300 0.103 0.000 1.016 458 D CA 0.261 54.313 54.000 0.087 0.000 0.870 458 D CB 0.295 41.133 40.800 0.064 0.000 0.917 458 D HN 0.309 nan 8.370 nan 0.000 0.524 459 L N 1.084 122.415 121.223 0.179 0.000 1.997 459 L HA -0.205 4.134 4.340 -0.001 0.000 0.216 459 L C -0.393 176.581 176.870 0.173 0.000 1.074 459 L CA 1.847 56.811 54.840 0.206 0.000 0.763 459 L CB -1.731 40.525 42.059 0.328 0.000 0.890 459 L HN 0.053 nan 8.230 nan 0.000 0.434 460 P HA -0.205 nan 4.420 nan 0.000 0.216 460 P C 1.472 178.821 177.300 0.083 0.000 1.153 460 P CA 1.413 64.568 63.100 0.092 0.000 0.858 460 P CB -0.014 31.578 31.700 -0.181 0.000 0.789 461 Q N -0.820 118.972 119.800 -0.014 0.000 2.016 461 Q HA -0.118 4.221 4.340 -0.001 0.000 0.200 461 Q C 2.263 178.242 176.000 -0.035 0.000 0.978 461 Q CA 1.258 57.033 55.803 -0.047 0.000 0.833 461 Q CB -0.718 27.980 28.738 -0.067 0.000 0.895 461 Q HN 0.278 nan 8.270 nan 0.000 0.427 462 I N 0.779 121.332 120.570 -0.028 0.000 2.163 462 I HA -0.309 3.860 4.170 -0.001 0.000 0.243 462 I C 2.314 178.421 176.117 -0.018 0.000 1.085 462 I CA 1.286 62.537 61.300 -0.082 0.000 1.347 462 I CB -0.350 37.645 38.000 -0.009 0.000 1.044 462 I HN 0.202 nan 8.210 nan 0.000 0.408 463 I N 0.594 121.219 120.570 0.092 0.000 2.226 463 I HA -0.309 3.861 4.170 -0.001 0.000 0.245 463 I C 2.665 178.788 176.117 0.011 0.000 1.100 463 I CA 1.615 62.985 61.300 0.118 0.000 1.374 463 I CB -0.410 37.660 38.000 0.116 0.000 1.057 463 I HN 0.345 nan 8.210 nan 0.000 0.413 464 E N 1.194 121.427 120.200 0.054 0.000 2.051 464 E HA -0.239 4.110 4.350 -0.001 0.000 0.192 464 E C 2.383 178.964 176.600 -0.032 0.000 0.991 464 E CA 1.049 57.471 56.400 0.036 0.000 0.799 464 E CB 0.022 29.795 29.700 0.121 0.000 0.748 464 E HN 0.235 nan 8.360 nan 0.000 0.449 465 R N 0.201 120.662 120.500 -0.065 0.000 2.127 465 R HA -0.088 4.251 4.340 -0.001 0.000 0.238 465 R C 2.384 178.605 176.300 -0.132 0.000 1.134 465 R CA 0.989 57.025 56.100 -0.107 0.000 0.975 465 R CB -0.364 29.836 30.300 -0.166 0.000 0.865 465 R HN 0.401 nan 8.270 nan 0.000 0.447 466 L N -1.198 119.918 121.223 -0.179 0.000 2.221 466 L HA 0.007 4.347 4.340 -0.001 0.000 0.202 466 L C 1.697 178.283 176.870 -0.475 0.000 1.074 466 L CA 0.807 55.452 54.840 -0.324 0.000 0.795 466 L CB -0.237 41.568 42.059 -0.424 0.000 0.960 466 L HN 0.225 nan 8.230 nan 0.000 0.458 467 H N -0.626 118.385 119.070 -0.100 0.000 2.986 467 H HA 0.316 4.871 4.556 -0.001 0.000 0.267 467 H C 0.887 176.136 175.328 -0.133 0.000 1.072 467 H CA 0.725 56.698 56.048 -0.125 0.000 1.202 467 H CB 1.007 30.665 29.762 -0.174 0.000 1.535 467 H HN 0.278 nan 8.280 nan 0.000 0.522 468 G N 1.235 110.016 108.800 -0.032 0.000 2.814 468 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.677 468 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.677 468 G C 0.770 175.631 174.900 -0.064 0.000 1.429 468 G CA -0.149 44.935 45.100 -0.026 0.000 0.868 468 G HN 0.238 nan 8.290 nan 0.000 0.553 469 L N 0.995 122.246 121.223 0.046 0.000 2.261 469 L HA -0.146 4.193 4.340 -0.001 0.000 0.216 469 L C 3.172 180.084 176.870 0.070 0.000 1.114 469 L CA 2.184 57.126 54.840 0.169 0.000 0.777 469 L CB -0.597 41.607 42.059 0.242 0.000 0.910 469 L HN 0.911 nan 8.230 nan 0.000 0.440 470 S N -0.016 115.675 115.700 -0.014 0.000 2.442 470 S HA -0.149 4.321 4.470 -0.001 0.000 0.236 470 S C 2.129 176.653 174.600 -0.127 0.000 1.007 470 S CA 0.767 58.942 58.200 -0.042 0.000 0.965 470 S CB -0.313 62.853 63.200 -0.055 0.000 0.773 470 S HN 0.383 nan 8.310 nan 0.000 0.504 471 A N 0.898 123.558 122.820 -0.266 0.000 2.019 471 A HA 0.164 4.483 4.320 -0.001 0.000 0.219 471 A C 1.523 178.917 177.584 -0.317 0.000 1.164 471 A CA 0.967 52.769 52.037 -0.393 0.000 0.644 471 A CB -0.846 17.817 19.000 -0.562 0.000 0.805 471 A HN 0.581 nan 8.150 nan 0.000 0.449 472 F N 0.212 120.181 119.950 0.032 0.000 2.797 472 F HA 0.118 4.645 4.527 -0.001 0.000 0.302 472 F C 1.668 177.518 175.800 0.083 0.000 1.130 472 F CA 0.622 58.667 58.000 0.076 0.000 1.387 472 F CB 0.042 39.117 39.000 0.124 0.000 1.107 472 F HN 0.264 nan 8.300 nan 0.000 0.577 473 S N -1.505 114.293 115.700 0.164 0.000 3.053 473 S HA 0.309 4.778 4.470 -0.001 0.000 0.255 473 S C -0.118 174.529 174.600 0.079 0.000 0.976 473 S CA -0.440 57.849 58.200 0.147 0.000 1.159 473 S CB -0.751 62.533 63.200 0.140 0.000 1.110 473 S HN 0.039 nan 8.310 nan 0.000 0.633 474 L N 3.229 124.418 121.223 -0.057 0.000 2.426 474 L HA 0.511 4.850 4.340 -0.001 0.000 0.271 474 L C 0.532 177.257 176.870 -0.242 0.000 1.169 474 L CA 0.007 54.686 54.840 -0.268 0.000 0.836 474 L CB 0.158 41.933 42.059 -0.473 0.000 1.112 474 L HN 0.687 nan 8.230 nan 0.000 0.465 475 H N -1.512 117.313 119.070 -0.409 0.000 2.948 475 H HA 0.372 4.928 4.556 -0.001 0.000 0.315 475 H C -0.399 174.756 175.328 -0.289 0.000 1.360 475 H CA -0.895 54.974 56.048 -0.299 0.000 1.125 475 H CB 1.091 30.809 29.762 -0.073 0.000 1.844 475 H HN 0.391 nan 8.280 nan 0.000 0.529 476 S N -0.394 115.325 115.700 0.032 0.000 3.697 476 S HA -0.220 4.249 4.470 -0.001 0.000 0.388 476 S C -0.604 173.998 174.600 0.004 0.000 0.941 476 S CA 0.449 58.685 58.200 0.061 0.000 1.247 476 S CB -2.442 60.757 63.200 -0.002 0.000 0.904 476 S HN 0.541 nan 8.310 nan 0.000 0.518 477 Y N 1.807 122.147 120.300 0.066 0.000 2.335 477 Y HA 0.307 4.856 4.550 -0.001 0.000 0.348 477 Y C 1.456 177.406 175.900 0.084 0.000 1.280 477 Y CA 0.424 58.565 58.100 0.067 0.000 1.504 477 Y CB 0.343 38.839 38.460 0.059 0.000 1.366 477 Y HN 0.535 nan 8.280 nan 0.000 0.621 478 S N 0.869 116.720 115.700 0.252 0.000 2.579 478 S HA 0.122 4.592 4.470 -0.001 0.000 0.275 478 S C -2.050 172.630 174.600 0.134 0.000 1.345 478 S CA -1.046 57.243 58.200 0.150 0.000 1.031 478 S CB 1.163 64.427 63.200 0.105 0.000 0.892 478 S HN 0.430 nan 8.310 nan 0.000 0.529 479 P HA 0.051 nan 4.420 nan 0.000 0.217 479 P C 1.668 179.005 177.300 0.062 0.000 1.150 479 P CA 1.453 64.598 63.100 0.075 0.000 0.832 479 P CB -0.382 31.353 31.700 0.058 0.000 0.787 480 G N -0.072 108.761 108.800 0.055 0.000 2.402 480 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.216 480 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.216 480 G C 1.657 176.582 174.900 0.041 0.000 1.162 480 G CA 0.692 45.815 45.100 0.038 0.000 0.777 480 G HN 0.237 nan 8.290 nan 0.000 0.539 481 E N 0.772 121.014 120.200 0.069 0.000 2.047 481 E HA -0.054 4.295 4.350 -0.001 0.000 0.191 481 E C 2.412 179.048 176.600 0.059 0.000 0.987 481 E CA 0.796 57.244 56.400 0.081 0.000 0.799 481 E CB -0.419 29.379 29.700 0.164 0.000 0.752 481 E HN 0.485 nan 8.360 nan 0.000 0.449 482 I N 0.900 121.514 120.570 0.073 0.000 2.208 482 I HA -0.285 3.885 4.170 -0.001 0.000 0.245 482 I C 1.888 178.024 176.117 0.033 0.000 1.097 482 I CA 1.099 62.429 61.300 0.051 0.000 1.363 482 I CB -0.381 37.666 38.000 0.078 0.000 1.051 482 I HN 0.168 nan 8.210 nan 0.000 0.413 483 N N 0.565 119.285 118.700 0.033 0.000 2.270 483 N HA -0.159 4.581 4.740 -0.001 0.000 0.181 483 N C 1.907 177.420 175.510 0.006 0.000 1.016 483 N CA 0.918 53.981 53.050 0.022 0.000 0.870 483 N CB -0.304 38.197 38.487 0.023 0.000 0.979 483 N HN 0.373 nan 8.380 nan 0.000 0.431 484 R N 0.924 121.423 120.500 -0.002 0.000 2.075 484 R HA 0.001 4.341 4.340 -0.001 0.000 0.232 484 R C 1.875 178.146 176.300 -0.048 0.000 1.126 484 R CA 0.825 56.908 56.100 -0.028 0.000 0.963 484 R CB -0.038 30.238 30.300 -0.040 0.000 0.858 484 R HN -0.070 nan 8.270 nan 0.000 0.435 485 V N 0.994 120.887 119.914 -0.036 0.000 2.358 485 V HA -0.172 3.948 4.120 -0.001 0.000 0.246 485 V C 2.457 178.539 176.094 -0.021 0.000 1.047 485 V CA 1.823 64.096 62.300 -0.045 0.000 1.035 485 V CB -0.623 31.193 31.823 -0.011 0.000 0.658 485 V HN 0.536 nan 8.190 nan 0.000 0.452 486 A N -0.105 122.715 122.820 0.001 0.000 1.883 486 A HA -0.224 4.095 4.320 -0.001 0.000 0.217 486 A C 2.491 180.083 177.584 0.012 0.000 1.186 486 A CA 2.406 54.453 52.037 0.016 0.000 0.624 486 A CB -0.790 18.225 19.000 0.025 0.000 0.822 486 A HN 0.516 nan 8.150 nan 0.000 0.444 487 S N -1.164 114.538 115.700 0.004 0.000 2.368 487 S HA -0.223 4.247 4.470 -0.001 0.000 0.225 487 S C 2.062 176.662 174.600 0.000 0.000 1.030 487 S CA 1.292 59.495 58.200 0.005 0.000 0.999 487 S CB -0.974 62.226 63.200 -0.000 0.000 0.844 487 S HN 0.803 nan 8.310 nan 0.000 0.459 488 C N 2.085 121.371 119.300 -0.024 0.000 2.429 488 C HA 0.034 4.493 4.460 -0.001 0.000 0.277 488 C C 2.432 177.413 174.990 -0.015 0.000 1.262 488 C CA 0.453 59.450 59.018 -0.036 0.000 1.733 488 C CB -1.633 26.049 27.740 -0.097 0.000 2.010 488 C HN 0.562 nan 8.230 nan 0.000 0.483 489 L N 0.336 121.556 121.223 -0.006 0.000 2.046 489 L HA -0.119 4.220 4.340 -0.001 0.000 0.208 489 L C 3.055 179.930 176.870 0.008 0.000 1.077 489 L CA 1.706 56.555 54.840 0.016 0.000 0.747 489 L CB -0.829 41.258 42.059 0.048 0.000 0.896 489 L HN 0.385 nan 8.230 nan 0.000 0.432 490 R N 0.184 120.696 120.500 0.021 0.000 2.090 490 R HA -0.154 4.186 4.340 -0.001 0.000 0.228 490 R C 2.300 178.642 176.300 0.069 0.000 1.110 490 R CA 1.000 57.120 56.100 0.034 0.000 0.973 490 R CB -0.190 30.137 30.300 0.046 0.000 0.869 490 R HN 0.316 nan 8.270 nan 0.000 0.440 491 K N 1.250 121.692 120.400 0.070 0.000 2.057 491 K HA -0.097 4.222 4.320 -0.001 0.000 0.207 491 K C 1.866 178.573 176.600 0.178 0.000 1.049 491 K CA 1.169 57.528 56.287 0.120 0.000 0.931 491 K CB 0.051 32.594 32.500 0.071 0.000 0.714 491 K HN 0.121 nan 8.250 nan 0.000 0.440 492 L N -0.557 120.702 121.223 0.059 0.000 2.375 492 L HA 0.156 4.496 4.340 -0.001 0.000 0.215 492 L C 0.849 177.580 176.870 -0.231 0.000 1.108 492 L CA 0.468 55.321 54.840 0.023 0.000 0.830 492 L CB 0.166 42.240 42.059 0.024 0.000 0.959 492 L HN 0.582 nan 8.230 nan 0.000 0.457 493 G N 1.027 109.613 108.800 -0.356 0.000 2.325 493 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.248 493 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.248 493 G C -0.303 174.477 174.900 -0.199 0.000 1.108 493 G CA -0.226 44.540 45.100 -0.557 0.000 0.881 493 G HN 0.038 nan 8.290 nan 0.000 0.494 494 V N 0.723 120.604 119.914 -0.055 0.000 2.481 494 V HA 0.495 4.614 4.120 -0.001 0.000 0.286 494 V C -1.231 174.944 176.094 0.134 0.000 1.042 494 V CA -1.657 60.697 62.300 0.090 0.000 0.928 494 V CB 1.714 33.625 31.823 0.146 0.000 0.986 494 V HN 0.234 nan 8.190 nan 0.000 0.462 495 P HA 0.127 nan 4.420 nan 0.000 0.268 495 P C -2.434 174.974 177.300 0.180 0.000 1.208 495 P CA -0.599 62.510 63.100 0.015 0.000 0.777 495 P CB -0.069 31.445 31.700 -0.310 0.000 0.875 496 P HA 0.015 nan 4.420 nan 0.000 0.275 496 P C 0.702 178.159 177.300 0.262 0.000 1.266 496 P CA -0.390 62.805 63.100 0.159 0.000 0.793 496 P CB 0.649 32.392 31.700 0.073 0.000 1.074 497 L N 2.001 123.385 121.223 0.268 0.000 1.990 497 L HA -0.225 4.115 4.340 -0.001 0.000 0.213 497 L C 2.859 179.896 176.870 0.280 0.000 1.072 497 L CA 2.202 57.230 54.840 0.314 0.000 0.755 497 L CB -1.320 40.863 42.059 0.206 0.000 0.889 497 L HN 0.399 nan 8.230 nan 0.000 0.432 498 R N -1.045 119.555 120.500 0.167 0.000 2.133 498 R HA -0.169 4.171 4.340 -0.001 0.000 0.247 498 R C 1.823 178.180 176.300 0.095 0.000 1.151 498 R CA 2.032 58.207 56.100 0.124 0.000 0.971 498 R CB -1.658 28.676 30.300 0.056 0.000 0.866 498 R HN 0.397 nan 8.270 nan 0.000 0.447 499 V N 0.350 120.265 119.914 0.002 0.000 2.307 499 V HA -0.178 3.942 4.120 -0.001 0.000 0.245 499 V C 2.120 178.164 176.094 -0.083 0.000 1.045 499 V CA 1.860 64.075 62.300 -0.141 0.000 1.024 499 V CB -0.756 30.852 31.823 -0.359 0.000 0.651 499 V HN 0.372 nan 8.190 nan 0.000 0.449 500 W N 0.177 121.579 121.300 0.171 0.000 2.363 500 W HA -0.102 4.557 4.660 -0.001 0.000 0.296 500 W C 2.750 179.456 176.519 0.312 0.000 1.212 500 W CA 1.415 58.903 57.345 0.239 0.000 1.260 500 W CB -0.272 29.343 29.460 0.258 0.000 1.131 500 W HN 0.040 nan 8.180 nan 0.000 0.530 501 R N -0.446 120.371 120.500 0.527 0.000 2.120 501 R HA -0.203 4.136 4.340 -0.001 0.000 0.234 501 R C 1.973 178.378 176.300 0.176 0.000 1.123 501 R CA 1.921 58.268 56.100 0.411 0.000 0.975 501 R CB -0.534 29.990 30.300 0.374 0.000 0.866 501 R HN 0.243 nan 8.270 nan 0.000 0.446 502 H N 0.330 119.443 119.070 0.071 0.000 2.276 502 H HA -0.013 4.542 4.556 -0.001 0.000 0.301 502 H C 2.013 177.314 175.328 -0.045 0.000 1.073 502 H CA 2.223 58.264 56.048 -0.011 0.000 1.311 502 H CB 0.140 29.880 29.762 -0.036 0.000 1.379 502 H HN 0.116 nan 8.280 nan 0.000 0.494 503 R N -0.109 120.432 120.500 0.070 0.000 2.120 503 R HA -0.072 4.267 4.340 -0.001 0.000 0.234 503 R C 2.496 178.730 176.300 -0.109 0.000 1.123 503 R CA 0.908 56.999 56.100 -0.014 0.000 0.975 503 R CB -0.270 30.057 30.300 0.044 0.000 0.866 503 R HN 0.346 nan 8.270 nan 0.000 0.446 504 A N 1.525 124.291 122.820 -0.091 0.000 1.902 504 A HA -0.173 4.146 4.320 -0.001 0.000 0.217 504 A C 2.089 179.383 177.584 -0.482 0.000 1.181 504 A CA 1.201 53.005 52.037 -0.387 0.000 0.623 504 A CB -0.337 18.411 19.000 -0.419 0.000 0.818 504 A HN 0.219 nan 8.150 nan 0.000 0.443 505 R N -0.603 119.696 120.500 -0.334 0.000 2.073 505 R HA -0.114 4.225 4.340 -0.001 0.000 0.234 505 R C 2.688 178.823 176.300 -0.274 0.000 1.134 505 R CA 1.535 57.456 56.100 -0.298 0.000 0.952 505 R CB -0.548 29.594 30.300 -0.263 0.000 0.850 505 R HN 0.587 nan 8.270 nan 0.000 0.433 506 S N 0.522 116.063 115.700 -0.265 0.000 2.353 506 S HA -0.132 4.337 4.470 -0.001 0.000 0.222 506 S C 2.117 176.597 174.600 -0.198 0.000 1.035 506 S CA 1.555 59.632 58.200 -0.206 0.000 1.025 506 S CB -0.262 62.834 63.200 -0.173 0.000 0.902 506 S HN 0.127 nan 8.310 nan 0.000 0.440 507 V N 2.502 122.259 119.914 -0.263 0.000 2.287 507 V HA -0.186 3.933 4.120 -0.001 0.000 0.248 507 V C 2.783 178.700 176.094 -0.295 0.000 1.053 507 V CA 2.407 64.532 62.300 -0.291 0.000 1.027 507 V CB -0.878 30.652 31.823 -0.488 0.000 0.646 507 V HN 0.538 nan 8.190 nan 0.000 0.447 508 R N 0.169 120.428 120.500 -0.402 0.000 2.080 508 R HA -0.196 4.144 4.340 -0.001 0.000 0.236 508 R C 2.340 178.568 176.300 -0.119 0.000 1.137 508 R CA 1.920 57.886 56.100 -0.223 0.000 0.943 508 R CB -0.594 29.572 30.300 -0.223 0.000 0.846 508 R HN 0.465 nan 8.270 nan 0.000 0.431 509 A N 1.016 123.755 122.820 -0.135 0.000 1.917 509 A HA -0.208 4.112 4.320 -0.001 0.000 0.219 509 A C 2.223 179.770 177.584 -0.061 0.000 1.182 509 A CA 1.801 53.783 52.037 -0.092 0.000 0.633 509 A CB -0.498 18.440 19.000 -0.103 0.000 0.819 509 A HN 0.414 nan 8.150 nan 0.000 0.448 510 R N -0.744 119.718 120.500 -0.063 0.000 2.092 510 R HA 0.035 4.374 4.340 -0.001 0.000 0.231 510 R C 1.991 178.293 176.300 0.004 0.000 1.119 510 R CA 1.309 57.391 56.100 -0.029 0.000 0.970 510 R CB -0.395 29.887 30.300 -0.029 0.000 0.864 510 R HN 0.525 nan 8.270 nan 0.000 0.440 511 L N 0.127 121.358 121.223 0.013 0.000 2.109 511 L HA -0.100 4.239 4.340 -0.001 0.000 0.207 511 L C 2.135 179.028 176.870 0.037 0.000 1.086 511 L CA 0.879 55.754 54.840 0.058 0.000 0.760 511 L CB -0.283 41.834 42.059 0.097 0.000 0.910 511 L HN 0.178 nan 8.230 nan 0.000 0.437 512 L N -0.895 120.334 121.223 0.009 0.000 2.131 512 L HA -0.197 4.143 4.340 -0.001 0.000 0.210 512 L C 2.584 179.456 176.870 0.003 0.000 1.092 512 L CA 0.974 55.815 54.840 0.001 0.000 0.759 512 L CB -0.384 41.661 42.059 -0.023 0.000 0.903 512 L HN 0.218 nan 8.230 nan 0.000 0.435 513 S N -1.023 114.677 115.700 0.001 0.000 2.406 513 S HA -0.119 4.350 4.470 -0.001 0.000 0.228 513 S C 1.862 176.470 174.600 0.013 0.000 1.020 513 S CA 0.655 58.856 58.200 0.002 0.000 0.965 513 S CB -0.077 63.120 63.200 -0.005 0.000 0.798 513 S HN 0.430 nan 8.310 nan 0.000 0.488 514 Q N 0.761 120.575 119.800 0.025 0.000 2.226 514 Q HA 0.058 4.398 4.340 -0.001 0.000 0.204 514 Q C 1.369 177.389 176.000 0.034 0.000 0.975 514 Q CA 0.824 56.648 55.803 0.035 0.000 0.866 514 Q CB -0.728 28.043 28.738 0.055 0.000 0.915 514 Q HN 0.570 nan 8.270 nan 0.000 0.440 515 G N -0.320 108.499 108.800 0.031 0.000 2.888 515 G HA2 -0.071 3.889 3.960 -0.001 0.000 0.441 515 G HA3 -0.071 3.889 3.960 -0.001 0.000 0.441 515 G C 0.454 175.376 174.900 0.037 0.000 1.461 515 G CA 0.068 45.185 45.100 0.028 0.000 0.897 515 G HN 0.724 nan 8.290 nan 0.000 0.547 516 G N 0.004 108.823 108.800 0.032 0.000 2.596 516 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.295 516 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.295 516 G C 1.417 176.342 174.900 0.041 0.000 1.240 516 G CA 1.477 46.597 45.100 0.034 0.000 0.985 516 G HN 1.533 nan 8.290 nan 0.000 0.555 517 R N 0.242 120.769 120.500 0.045 0.000 2.094 517 R HA -0.136 4.203 4.340 -0.001 0.000 0.239 517 R C 3.184 179.531 176.300 0.078 0.000 1.137 517 R CA 2.616 58.749 56.100 0.054 0.000 0.943 517 R CB -1.406 28.933 30.300 0.064 0.000 0.850 517 R HN 0.991 nan 8.270 nan 0.000 0.433 518 A N 1.543 124.420 122.820 0.095 0.000 1.917 518 A HA -0.168 4.152 4.320 -0.001 0.000 0.219 518 A C 2.502 180.144 177.584 0.096 0.000 1.182 518 A CA 2.223 54.335 52.037 0.124 0.000 0.633 518 A CB -0.718 18.352 19.000 0.116 0.000 0.819 518 A HN 0.436 nan 8.150 nan 0.000 0.448 519 A N -1.159 121.702 122.820 0.067 0.000 1.908 519 A HA -0.108 4.211 4.320 -0.001 0.000 0.218 519 A C 2.299 179.918 177.584 0.059 0.000 1.181 519 A CA 2.361 54.429 52.037 0.051 0.000 0.627 519 A CB -1.332 17.690 19.000 0.037 0.000 0.818 519 A HN 0.462 nan 8.150 nan 0.000 0.445 520 T N -0.737 113.857 114.554 0.068 0.000 2.788 520 T HA -0.195 4.155 4.350 -0.001 0.000 0.268 520 T C 1.896 176.640 174.700 0.075 0.000 1.044 520 T CA 1.485 63.646 62.100 0.101 0.000 1.139 520 T CB -0.739 68.133 68.868 0.006 0.000 0.867 520 T HN 0.586 nan 8.240 nan 0.000 0.454 521 C N 1.356 120.672 119.300 0.026 0.000 2.413 521 C HA -0.020 4.440 4.460 -0.001 0.000 0.277 521 C C 3.148 178.094 174.990 -0.075 0.000 1.228 521 C CA 0.758 59.739 59.018 -0.061 0.000 1.731 521 C CB -1.506 26.229 27.740 -0.009 0.000 2.042 521 C HN 0.728 nan 8.230 nan 0.000 0.468 522 G N -0.322 108.508 108.800 0.050 0.000 2.422 522 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.218 522 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.218 522 G C 1.643 176.563 174.900 0.032 0.000 1.146 522 G CA 1.048 46.233 45.100 0.142 0.000 0.769 522 G HN 0.655 nan 8.290 nan 0.000 0.547 523 K N -0.879 119.508 120.400 -0.022 0.000 2.025 523 K HA -0.069 4.250 4.320 -0.001 0.000 0.207 523 K C 2.146 178.566 176.600 -0.300 0.000 1.049 523 K CA 1.165 57.371 56.287 -0.135 0.000 0.933 523 K CB -0.214 32.220 32.500 -0.110 0.000 0.714 523 K HN 0.397 nan 8.250 nan 0.000 0.438 524 Y N 0.531 120.611 120.300 -0.367 0.000 2.262 524 Y HA 0.038 4.587 4.550 -0.001 0.000 0.295 524 Y C 1.990 177.544 175.900 -0.576 0.000 1.121 524 Y CA 0.593 58.284 58.100 -0.683 0.000 1.144 524 Y CB -0.144 37.558 38.460 -1.263 0.000 1.043 524 Y HN -0.068 nan 8.280 nan 0.000 0.528 525 L N -1.577 119.440 121.223 -0.344 0.000 2.083 525 L HA -0.158 4.181 4.340 -0.001 0.000 0.209 525 L C 0.594 177.163 176.870 -0.501 0.000 1.083 525 L CA 1.367 55.956 54.840 -0.419 0.000 0.752 525 L CB -0.381 41.135 42.059 -0.905 0.000 0.899 525 L HN 0.152 nan 8.230 nan 0.000 0.433 526 F N -1.310 118.554 119.950 -0.144 0.000 2.855 526 F HA 0.194 4.721 4.527 -0.001 0.000 0.317 526 F C 1.516 176.981 175.800 -0.558 0.000 1.169 526 F CA -0.402 57.296 58.000 -0.504 0.000 1.299 526 F CB -0.889 37.835 39.000 -0.460 0.000 0.962 526 F HN 0.006 nan 8.300 nan 0.000 0.506 527 N N 0.595 119.190 118.700 -0.175 0.000 2.396 527 N HA -0.139 4.600 4.740 -0.001 0.000 0.180 527 N C 1.735 177.209 175.510 -0.060 0.000 1.028 527 N CA 0.960 53.939 53.050 -0.118 0.000 0.893 527 N CB 0.011 38.455 38.487 -0.072 0.000 0.967 527 N HN 0.564 nan 8.380 nan 0.000 0.440 528 W N -0.376 120.976 121.300 0.086 0.000 2.937 528 W HA 0.265 4.925 4.660 -0.000 0.000 0.245 528 W C 1.105 177.687 176.519 0.105 0.000 1.306 528 W CA 0.236 57.637 57.345 0.093 0.000 1.470 528 W CB -0.474 29.057 29.460 0.118 0.000 1.132 528 W HN -0.025 nan 8.180 nan 0.000 0.675 529 A N 1.452 123.929 122.820 -0.572 0.000 2.178 529 A HA 0.252 4.571 4.320 -0.001 0.000 0.211 529 A C 0.931 178.399 177.584 -0.193 0.000 1.157 529 A CA 0.974 52.707 52.037 -0.506 0.000 0.780 529 A CB -0.679 17.845 19.000 -0.794 0.000 0.828 529 A HN 0.094 nan 8.150 nan 0.000 0.476 530 V N -4.069 115.766 119.914 -0.131 0.000 2.919 530 V HA 0.452 4.571 4.120 -0.001 0.000 0.316 530 V C 0.705 176.782 176.094 -0.029 0.000 1.077 530 V CA -0.908 61.344 62.300 -0.080 0.000 0.977 530 V CB 1.599 33.364 31.823 -0.096 0.000 1.039 530 V HN 0.235 nan 8.190 nan 0.000 0.441 531 K N 0.489 120.874 120.400 -0.024 0.000 2.031 531 K HA 0.055 4.374 4.320 -0.001 0.000 0.205 531 K C 0.576 177.165 176.600 -0.019 0.000 1.049 531 K CA 1.437 57.717 56.287 -0.011 0.000 0.939 531 K CB -0.101 32.393 32.500 -0.010 0.000 0.717 531 K HN 0.780 nan 8.250 nan 0.000 0.438 532 T N 3.294 117.829 114.554 -0.030 0.000 3.005 532 T HA 0.140 4.489 4.350 -0.001 0.000 0.323 532 T C -0.250 174.425 174.700 -0.043 0.000 1.131 532 T CA -0.488 61.592 62.100 -0.033 0.000 0.977 532 T CB 0.545 69.392 68.868 -0.034 0.000 1.055 532 T HN -0.037 nan 8.240 nan 0.000 0.562 533 K N 2.458 122.836 120.400 -0.037 0.000 2.402 533 K HA 0.230 4.550 4.320 -0.001 0.000 0.265 533 K C 0.522 177.084 176.600 -0.063 0.000 0.978 533 K CA -0.037 56.223 56.287 -0.045 0.000 0.913 533 K CB 0.618 33.102 32.500 -0.028 0.000 0.954 533 K HN 0.459 nan 8.250 nan 0.000 0.511 534 L N 1.010 122.178 121.223 -0.091 0.000 2.421 534 L HA 0.253 4.593 4.340 -0.001 0.000 0.267 534 L C 1.977 178.781 176.870 -0.109 0.000 1.036 534 L CA -0.741 54.031 54.840 -0.114 0.000 0.829 534 L CB 0.767 42.722 42.059 -0.173 0.000 1.437 534 L HN 0.623 nan 8.230 nan 0.000 0.488 535 K N 0.461 120.794 120.400 -0.111 0.000 1.973 535 K HA 0.009 4.329 4.320 -0.001 0.000 0.210 535 K C 0.024 176.563 176.600 -0.101 0.000 1.045 535 K CA 0.604 56.843 56.287 -0.080 0.000 0.937 535 K CB -0.159 32.307 32.500 -0.056 0.000 0.721 535 K HN 0.365 nan 8.250 nan 0.000 0.438 536 L N 2.915 124.012 121.223 -0.209 0.000 2.895 536 L HA -0.149 4.191 4.340 -0.001 0.000 0.661 536 L C -0.504 176.393 176.870 0.045 0.000 1.020 536 L CA 0.464 55.139 54.840 -0.275 0.000 1.342 536 L CB -1.781 40.147 42.059 -0.218 0.000 1.851 536 L HN 0.807 nan 8.230 nan 0.000 0.881 537 T N 0.027 114.680 114.554 0.165 0.000 2.926 537 T HA 0.797 5.146 4.350 -0.001 0.000 0.289 537 T C -2.553 172.290 174.700 0.238 0.000 1.054 537 T CA -2.177 60.029 62.100 0.176 0.000 1.015 537 T CB 2.330 71.259 68.868 0.101 0.000 1.167 537 T HN 0.150 nan 8.240 nan 0.000 0.526 538 P HA 0.179 nan 4.420 nan 0.000 0.264 538 P C -0.661 176.659 177.300 0.034 0.000 1.179 538 P CA 0.050 63.199 63.100 0.081 0.000 0.763 538 P CB 0.167 31.898 31.700 0.051 0.000 0.806 539 I N 5.594 126.136 120.570 -0.046 0.000 2.315 539 I HA 0.142 4.311 4.170 -0.001 0.000 0.291 539 I C -1.265 174.820 176.117 -0.054 0.000 1.006 539 I CA -2.081 59.160 61.300 -0.097 0.000 1.265 539 I CB 1.387 39.252 38.000 -0.226 0.000 1.387 539 I HN 0.325 nan 8.210 nan 0.000 0.475 540 P HA -0.264 nan 4.420 nan 0.000 0.214 540 P C 1.311 178.593 177.300 -0.031 0.000 1.172 540 P CA 1.443 64.529 63.100 -0.022 0.000 0.925 540 P CB 0.230 31.923 31.700 -0.012 0.000 0.793 541 A N -0.847 121.951 122.820 -0.036 0.000 2.248 541 A HA 0.091 4.410 4.320 -0.001 0.000 0.210 541 A C 2.129 179.682 177.584 -0.052 0.000 1.174 541 A CA 1.247 53.261 52.037 -0.037 0.000 0.750 541 A CB -1.371 17.611 19.000 -0.030 0.000 0.780 541 A HN 0.199 nan 8.150 nan 0.000 0.478 542 A N 0.501 123.284 122.820 -0.062 0.000 2.024 542 A HA -0.108 4.211 4.320 -0.001 0.000 0.220 542 A C 2.407 179.942 177.584 -0.081 0.000 1.164 542 A CA 2.059 54.051 52.037 -0.076 0.000 0.643 542 A CB -0.684 18.272 19.000 -0.073 0.000 0.806 542 A HN 0.970 nan 8.150 nan 0.000 0.451 543 S N -0.747 114.915 115.700 -0.063 0.000 2.470 543 S HA -0.111 4.359 4.470 -0.001 0.000 0.225 543 S C 1.756 176.316 174.600 -0.066 0.000 1.006 543 S CA 0.772 58.934 58.200 -0.063 0.000 0.934 543 S CB -0.392 62.781 63.200 -0.044 0.000 0.778 543 S HN 0.701 nan 8.310 nan 0.000 0.517 544 Q N 0.911 120.676 119.800 -0.057 0.000 2.124 544 Q HA 0.110 4.450 4.340 -0.001 0.000 0.202 544 Q C 0.283 176.244 176.000 -0.066 0.000 0.977 544 Q CA 0.521 56.295 55.803 -0.049 0.000 0.850 544 Q CB -0.572 28.145 28.738 -0.036 0.000 0.901 544 Q HN 0.533 nan 8.270 nan 0.000 0.429 545 L N 2.510 123.677 121.223 -0.093 0.000 2.540 545 L HA -0.020 4.319 4.340 -0.001 0.000 0.276 545 L C 0.037 176.809 176.870 -0.163 0.000 1.212 545 L CA -0.268 54.493 54.840 -0.131 0.000 0.893 545 L CB 0.080 42.026 42.059 -0.187 0.000 1.138 545 L HN 0.047 nan 8.230 nan 0.000 0.491 546 D N 4.330 124.645 120.400 -0.141 0.000 2.428 546 D HA 0.264 4.903 4.640 -0.001 0.000 0.221 546 D C -0.189 175.974 176.300 -0.230 0.000 1.123 546 D CA -0.322 53.598 54.000 -0.133 0.000 0.869 546 D CB 0.916 41.686 40.800 -0.050 0.000 1.032 546 D HN 0.183 nan 8.370 nan 0.000 0.506 547 L N 3.281 124.297 121.223 -0.344 0.000 3.034 547 L HA 0.159 4.498 4.340 -0.001 0.000 0.245 547 L C 1.947 178.693 176.870 -0.206 0.000 1.295 547 L CA 0.002 54.495 54.840 -0.578 0.000 1.068 547 L CB -0.279 41.287 42.059 -0.821 0.000 1.426 547 L HN 0.419 nan 8.230 nan 0.000 0.531 548 S N -1.456 114.202 115.700 -0.069 0.000 2.368 548 S HA -0.056 4.414 4.470 -0.001 0.000 0.224 548 S C 1.634 176.272 174.600 0.063 0.000 1.029 548 S CA 0.977 59.181 58.200 0.006 0.000 0.988 548 S CB -0.408 62.801 63.200 0.014 0.000 0.838 548 S HN 0.407 nan 8.310 nan 0.000 0.462 549 G N -1.185 107.670 108.800 0.093 0.000 3.523 549 G HA2 0.303 4.263 3.960 -0.001 0.000 0.270 549 G HA3 0.303 4.263 3.960 -0.001 0.000 0.270 549 G C 0.398 175.380 174.900 0.137 0.000 1.134 549 G CA -0.512 44.638 45.100 0.082 0.000 0.825 549 G HN 0.418 nan 8.290 nan 0.000 0.534 550 W N 0.385 121.545 121.300 -0.234 0.000 2.409 550 W HA 0.295 4.955 4.660 -0.001 0.000 0.299 550 W C 0.285 176.366 176.519 -0.729 0.000 1.203 550 W CA 0.501 57.479 57.345 -0.611 0.000 1.298 550 W CB -0.023 28.876 29.460 -0.936 0.000 1.127 550 W HN 0.116 nan 8.180 nan 0.000 0.528 551 F N -0.623 119.476 119.950 0.248 0.000 2.531 551 F HA 0.319 4.845 4.527 -0.001 0.000 0.333 551 F C 0.443 176.358 175.800 0.191 0.000 1.292 551 F CA -0.639 57.508 58.000 0.245 0.000 1.184 551 F CB -0.020 39.097 39.000 0.194 0.000 1.426 551 F HN -0.399 nan 8.300 nan 0.000 0.559 552 V N -0.000 120.101 119.914 0.312 0.000 2.996 552 V HA 0.642 4.761 4.120 -0.001 0.000 0.235 552 V C 0.798 177.017 176.094 0.209 0.000 1.205 552 V CA 0.661 63.087 62.300 0.211 0.000 1.225 552 V CB 0.662 32.584 31.823 0.165 0.000 0.995 552 V HN 0.431 nan 8.190 nan 0.000 0.484 553 A N -0.698 122.202 122.820 0.134 0.000 2.593 553 A HA 0.798 5.117 4.320 -0.001 0.000 0.290 553 A C -0.292 176.930 177.584 -0.603 0.000 1.126 553 A CA 0.075 52.050 52.037 -0.104 0.000 0.695 553 A CB 1.145 19.961 19.000 -0.306 0.000 1.290 553 A HN 0.399 nan 8.150 nan 0.000 0.414 554 G N -1.329 106.822 108.800 -1.081 0.000 2.367 554 G HA2 0.542 4.501 3.960 -0.001 0.000 0.314 554 G HA3 0.542 4.501 3.960 -0.001 0.000 0.314 554 G C -0.958 173.245 174.900 -1.162 0.000 1.130 554 G CA -0.086 43.995 45.100 -1.699 0.000 0.864 554 G HN 0.571 nan 8.290 nan 0.000 0.486 555 Y N 0.769 120.864 120.300 -0.342 0.000 2.721 555 Y HA 0.297 4.846 4.550 -0.001 0.000 0.251 555 Y C 1.355 177.201 175.900 -0.090 0.000 1.136 555 Y CA -0.907 57.107 58.100 -0.142 0.000 1.142 555 Y CB 0.545 38.977 38.460 -0.048 0.000 1.212 555 Y HN 0.495 nan 8.280 nan 0.000 0.565 556 S N 0.989 116.668 115.700 -0.034 0.000 2.737 556 S HA 0.273 4.743 4.470 -0.001 0.000 0.315 556 S C 1.465 176.100 174.600 0.058 0.000 1.236 556 S CA 1.500 59.715 58.200 0.025 0.000 1.093 556 S CB -0.290 62.922 63.200 0.020 0.000 0.832 556 S HN 1.054 nan 8.310 nan 0.000 0.507 557 G N 3.665 112.505 108.800 0.067 0.000 2.184 557 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.264 557 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.264 557 G C 0.827 175.777 174.900 0.084 0.000 0.975 557 G CA 0.391 45.534 45.100 0.073 0.000 0.642 557 G HN 1.318 nan 8.290 nan 0.000 0.536 558 G N -0.111 108.749 108.800 0.101 0.000 2.920 558 G HA2 0.359 4.318 3.960 -0.001 0.000 0.208 558 G HA3 0.359 4.318 3.960 -0.001 0.000 0.208 558 G C 0.517 175.464 174.900 0.079 0.000 1.159 558 G CA 1.119 46.295 45.100 0.127 0.000 0.784 558 G HN 1.275 nan 8.290 nan 0.000 0.535 559 D N -0.559 119.859 120.400 0.031 0.000 2.697 559 D HA -0.166 4.474 4.640 -0.001 0.000 0.238 559 D C -0.147 176.127 176.300 -0.043 0.000 1.152 559 D CA 0.336 54.325 54.000 -0.017 0.000 0.666 559 D CB -1.116 39.676 40.800 -0.013 0.000 1.037 559 D HN 0.088 nan 8.370 nan 0.000 0.423 560 I N 1.414 121.946 120.570 -0.063 0.000 2.441 560 I HA 0.448 4.617 4.170 -0.001 0.000 0.295 560 I C 0.010 176.035 176.117 -0.153 0.000 0.994 560 I CA -0.758 60.442 61.300 -0.167 0.000 1.144 560 I CB 1.257 39.058 38.000 -0.331 0.000 1.314 560 I HN 0.161 nan 8.210 nan 0.000 0.445 561 Y N 5.594 125.659 120.300 -0.391 0.000 2.553 561 Y HA 0.616 5.166 4.550 -0.001 0.000 0.347 561 Y C -1.398 174.132 175.900 -0.617 0.000 1.019 561 Y CA -0.601 57.254 58.100 -0.408 0.000 1.032 561 Y CB 1.797 40.080 38.460 -0.296 0.000 1.284 561 Y HN 0.634 nan 8.280 nan 0.000 0.466 562 H N 0.983 119.205 119.070 -1.414 0.000 3.038 562 H HA 0.501 5.056 4.556 -0.001 0.000 0.362 562 H C -1.310 173.370 175.328 -1.080 0.000 1.167 562 H CA -0.830 54.593 56.048 -1.041 0.000 1.197 562 H CB 1.954 31.265 29.762 -0.753 0.000 1.840 562 H HN 0.570 nan 8.280 nan 0.000 0.540 563 S N 2.285 117.720 115.700 -0.442 0.000 2.433 563 S HA 0.314 4.783 4.470 -0.001 0.000 0.310 563 S C -0.380 174.238 174.600 0.030 0.000 1.097 563 S CA -0.922 57.175 58.200 -0.171 0.000 1.103 563 S CB 1.065 64.261 63.200 -0.007 0.000 0.992 563 S HN 0.485 nan 8.310 nan 0.000 0.469 564 L N 3.689 124.982 121.223 0.116 0.000 2.638 564 L HA 0.387 4.726 4.340 -0.001 0.000 0.273 564 L C 0.277 177.205 176.870 0.097 0.000 1.147 564 L CA 0.894 55.845 54.840 0.184 0.000 0.941 564 L CB -0.132 42.071 42.059 0.240 0.000 1.251 564 L HN 0.903 nan 8.230 nan 0.000 0.479 565 S N 4.951 120.695 115.700 0.072 0.000 2.751 565 S HA 0.762 5.232 4.470 -0.001 0.000 0.310 565 S C 0.003 174.610 174.600 0.012 0.000 1.128 565 S CA -0.777 57.446 58.200 0.038 0.000 0.931 565 S CB 1.189 64.409 63.200 0.035 0.000 1.177 565 S HN 0.735 nan 8.310 nan 0.000 0.530 566 R N 0.000 120.502 120.500 0.004 0.000 2.786 566 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 566 R CA 0.000 56.093 56.100 -0.012 0.000 0.921 566 R CB 0.000 30.293 30.300 -0.012 0.000 0.687 566 R HN 0.000 nan 8.270 nan 0.000 0.535