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 2i1r_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 0.000 175.202 175.328 -0.211 0.000 0.993 1 H CA 0.000 55.907 56.048 -0.235 0.000 1.023 1 H CB 0.000 29.686 29.762 -0.127 0.000 1.292 2 H N 0.291 119.366 119.070 0.009 0.000 2.629 2 H HA 0.129 4.685 4.556 -0.001 0.000 0.357 2 H C 1.247 176.490 175.328 -0.141 0.000 1.121 2 H CA 0.668 56.697 56.048 -0.032 0.000 1.406 2 H CB 1.450 31.206 29.762 -0.012 0.000 1.456 2 H HN 0.552 nan 8.280 nan 0.000 0.579 3 S N 1.913 117.541 115.700 -0.120 0.000 2.402 3 S HA -0.067 4.403 4.470 -0.000 0.000 0.229 3 S C 0.143 174.382 174.600 -0.600 0.000 1.021 3 S CA 0.916 58.877 58.200 -0.398 0.000 0.974 3 S CB -0.034 62.845 63.200 -0.535 0.000 0.800 3 S HN 0.560 nan 8.310 nan 0.000 0.484 4 Y N 0.561 120.752 120.300 -0.181 0.000 2.625 4 Y HA 0.573 5.123 4.550 -0.001 0.000 0.338 4 Y C -0.312 175.318 175.900 -0.449 0.000 1.123 4 Y CA -0.969 56.885 58.100 -0.410 0.000 1.046 4 Y CB 1.858 39.927 38.460 -0.651 0.000 1.299 4 Y HN 0.097 nan 8.280 nan 0.000 0.464 5 T N -2.396 111.864 114.554 -0.490 0.000 2.912 5 T HA 0.668 5.018 4.350 -0.000 0.000 0.299 5 T C -1.571 172.807 174.700 -0.537 0.000 1.052 5 T CA -0.907 60.992 62.100 -0.335 0.000 0.996 5 T CB 1.125 69.937 68.868 -0.092 0.000 1.070 5 T HN 0.532 nan 8.240 nan 0.000 0.465 6 W N 0.912 122.255 121.300 0.073 0.000 2.819 6 W HA 0.509 5.168 4.660 -0.001 0.000 0.337 6 W C 1.340 177.880 176.519 0.034 0.000 1.077 6 W CA -0.812 56.562 57.345 0.047 0.000 1.226 6 W CB 1.980 31.449 29.460 0.015 0.000 1.419 6 W HN 0.893 nan 8.180 nan 0.000 0.502 7 T N -2.285 112.429 114.554 0.266 0.000 3.035 7 T HA 0.337 4.686 4.350 -0.000 0.000 0.259 7 T C 1.402 176.182 174.700 0.133 0.000 1.078 7 T CA 1.100 63.293 62.100 0.155 0.000 1.132 7 T CB 0.021 68.959 68.868 0.117 0.000 0.900 7 T HN 1.221 nan 8.240 nan 0.000 0.480 8 G N 1.137 110.027 108.800 0.151 0.000 2.336 8 G HA2 0.119 4.079 3.960 -0.000 0.000 0.194 8 G HA3 0.119 4.079 3.960 -0.000 0.000 0.194 8 G C 0.374 175.303 174.900 0.047 0.000 0.999 8 G CA -0.140 45.006 45.100 0.076 0.000 0.669 8 G HN 1.015 nan 8.290 nan 0.000 0.482 9 A N 0.946 123.808 122.820 0.070 0.000 2.520 9 A HA 0.601 4.921 4.320 -0.000 0.000 0.235 9 A C 0.725 178.325 177.584 0.027 0.000 1.065 9 A CA 0.389 52.454 52.037 0.047 0.000 0.764 9 A CB 0.139 19.175 19.000 0.061 0.000 1.002 9 A HN 0.858 nan 8.150 nan 0.000 0.502 10 L N 1.704 122.929 121.223 0.003 0.000 2.399 10 L HA 0.312 4.652 4.340 -0.000 0.000 0.266 10 L C 0.098 176.961 176.870 -0.012 0.000 1.114 10 L CA -0.385 54.440 54.840 -0.024 0.000 0.804 10 L CB 0.901 42.945 42.059 -0.025 0.000 1.146 10 L HN 0.560 nan 8.230 nan 0.000 0.451 11 I N 1.883 122.432 120.570 -0.035 0.000 2.347 11 I HA 0.056 4.226 4.170 -0.000 0.000 0.294 11 I C 0.588 176.703 176.117 -0.002 0.000 1.090 11 I CA -0.093 61.200 61.300 -0.011 0.000 1.314 11 I CB 0.488 38.469 38.000 -0.032 0.000 1.423 11 I HN 0.654 nan 8.210 nan 0.000 0.503 12 T N 5.211 119.771 114.554 0.010 0.000 2.922 12 T HA 0.529 4.878 4.350 -0.000 0.000 0.285 12 T C -2.291 172.423 174.700 0.024 0.000 1.005 12 T CA -1.773 60.334 62.100 0.013 0.000 1.061 12 T CB 1.698 70.573 68.868 0.012 0.000 1.007 12 T HN 0.297 nan 8.240 nan 0.000 0.502 13 P HA 0.285 nan 4.420 nan 0.000 0.281 13 P C 0.539 177.857 177.300 0.031 0.000 1.264 13 P CA -0.806 62.313 63.100 0.032 0.000 0.824 13 P CB 0.897 32.614 31.700 0.030 0.000 1.092 14 C N -1.119 118.202 119.300 0.035 0.000 2.884 14 C HA 0.827 5.287 4.460 -0.000 0.000 0.287 14 C C 0.629 175.632 174.990 0.021 0.000 1.310 14 C CA -0.160 58.876 59.018 0.029 0.000 1.725 14 C CB -1.249 26.514 27.740 0.039 0.000 2.060 14 C HN 0.728 nan 8.230 nan 0.000 0.618 15 A N 0.064 122.898 122.820 0.024 0.000 0.000 15 A HA 0.766 5.086 4.320 -0.000 0.000 0.000 15 A C -0.642 176.960 177.584 0.030 0.000 0.000 15 A CA -0.029 52.022 52.037 0.023 0.000 0.000 15 A CB -0.424 18.588 19.000 0.020 0.000 0.000 15 A HN 1.476 nan 8.150 nan 0.000 0.000 16 A N 0.119 122.959 122.820 0.033 0.000 2.477 16 A HA 0.550 4.869 4.320 -0.000 0.000 0.246 16 A C 0.027 177.646 177.584 0.059 0.000 1.078 16 A CA 0.377 52.439 52.037 0.042 0.000 0.770 16 A CB -0.303 18.721 19.000 0.040 0.000 1.011 16 A HN 0.601 nan 8.150 nan 0.000 0.494 17 E N 1.405 121.645 120.200 0.067 0.000 2.227 17 E HA 0.447 4.797 4.350 -0.000 0.000 0.268 17 E C -1.021 175.653 176.600 0.124 0.000 0.907 17 E CA -0.575 55.879 56.400 0.089 0.000 0.786 17 E CB 1.943 31.685 29.700 0.070 0.000 1.191 17 E HN 0.750 nan 8.360 nan 0.000 0.411 18 E N 0.636 120.954 120.200 0.196 0.000 2.199 18 E HA 0.206 4.556 4.350 -0.000 0.000 0.269 18 E C -0.055 176.756 176.600 0.352 0.000 0.899 18 E CA -0.275 56.284 56.400 0.264 0.000 0.772 18 E CB 1.768 31.662 29.700 0.323 0.000 1.155 18 E HN 0.569 nan 8.360 nan 0.000 0.408 19 S N 2.108 117.991 115.700 0.305 0.000 2.599 19 S HA 0.011 4.481 4.470 -0.000 0.000 0.236 19 S C 0.585 175.438 174.600 0.421 0.000 1.077 19 S CA -0.281 58.113 58.200 0.322 0.000 0.906 19 S CB -0.119 63.214 63.200 0.222 0.000 0.804 19 S HN 0.427 nan 8.310 nan 0.000 0.497 20 K N 1.963 122.540 120.400 0.295 0.000 2.298 20 K HA 0.418 4.738 4.320 -0.000 0.000 0.280 20 K C -0.475 176.180 176.600 0.093 0.000 1.032 20 K CA -0.803 55.611 56.287 0.211 0.000 0.958 20 K CB 0.673 33.236 32.500 0.105 0.000 0.978 20 K HN 0.199 nan 8.250 nan 0.000 0.472 21 L N 4.364 125.640 121.223 0.088 0.000 2.615 21 L HA 0.087 4.426 4.340 -0.000 0.000 0.271 21 L C -2.385 174.238 176.870 -0.413 0.000 1.183 21 L CA -1.077 53.641 54.840 -0.203 0.000 0.933 21 L CB -0.285 41.790 42.059 0.027 0.000 1.199 21 L HN 0.561 nan 8.230 nan 0.000 0.487 22 P HA 0.164 nan 4.420 nan 0.000 0.268 22 P C -0.919 176.143 177.300 -0.397 0.000 1.204 22 P CA 0.128 62.910 63.100 -0.529 0.000 0.768 22 P CB 0.499 31.793 31.700 -0.677 0.000 0.842 23 I N 3.281 123.678 120.570 -0.288 0.000 2.509 23 I HA 0.401 4.571 4.170 -0.000 0.000 0.293 23 I C 0.364 176.371 176.117 -0.184 0.000 1.020 23 I CA -0.635 60.501 61.300 -0.273 0.000 1.088 23 I CB 1.734 39.561 38.000 -0.287 0.000 1.267 23 I HN 0.472 nan 8.210 nan 0.000 0.430 24 N N 3.740 122.346 118.700 -0.158 0.000 3.229 24 N HA 0.423 5.163 4.740 -0.000 0.000 0.315 24 N C 0.251 175.714 175.510 -0.079 0.000 1.520 24 N CA -0.538 52.450 53.050 -0.104 0.000 0.769 24 N CB 0.721 39.148 38.487 -0.099 0.000 1.766 24 N HN 0.406 nan 8.380 nan 0.000 0.618 25 A N -0.664 122.122 122.820 -0.057 0.000 2.216 25 A HA 0.143 4.463 4.320 -0.000 0.000 0.214 25 A C 1.541 179.102 177.584 -0.038 0.000 1.160 25 A CA 0.774 52.787 52.037 -0.041 0.000 0.725 25 A CB -0.934 18.044 19.000 -0.036 0.000 0.784 25 A HN 0.539 nan 8.150 nan 0.000 0.472 26 L N -1.825 119.372 121.223 -0.043 0.000 2.515 26 L HA 0.033 4.372 4.340 -0.000 0.000 0.223 26 L C 2.465 179.346 176.870 0.019 0.000 1.079 26 L CA 0.511 55.341 54.840 -0.018 0.000 0.857 26 L CB -0.278 41.756 42.059 -0.043 0.000 1.050 26 L HN 0.203 nan 8.230 nan 0.000 0.476 27 S N 0.986 116.668 115.700 -0.030 0.000 2.380 27 S HA -0.222 4.248 4.470 -0.000 0.000 0.229 27 S C 1.711 176.331 174.600 0.033 0.000 1.050 27 S CA 1.946 60.117 58.200 -0.049 0.000 1.100 27 S CB -0.433 62.646 63.200 -0.201 0.000 0.984 27 S HN 0.471 nan 8.310 nan 0.000 0.434 28 N N 1.488 120.232 118.700 0.074 0.000 2.205 28 N HA -0.089 4.651 4.740 -0.000 0.000 0.186 28 N C 1.919 177.449 175.510 0.034 0.000 1.015 28 N CA 1.416 54.535 53.050 0.115 0.000 0.862 28 N CB -0.608 37.933 38.487 0.090 0.000 0.986 28 N HN 0.634 nan 8.380 nan 0.000 0.429 29 S N -0.093 115.612 115.700 0.009 0.000 2.474 29 S HA -0.057 4.413 4.470 -0.000 0.000 0.235 29 S C 1.799 176.382 174.600 -0.028 0.000 0.997 29 S CA 0.477 58.651 58.200 -0.043 0.000 0.949 29 S CB -0.116 63.067 63.200 -0.029 0.000 0.766 29 S HN 0.243 nan 8.310 nan 0.000 0.517 30 L N -0.249 120.986 121.223 0.020 0.000 2.349 30 L HA 0.608 4.947 4.340 -0.000 0.000 0.200 30 L C 0.100 177.016 176.870 0.076 0.000 1.064 30 L CA 0.678 55.539 54.840 0.035 0.000 0.821 30 L CB 0.294 42.172 42.059 -0.302 0.000 1.027 30 L HN 0.495 nan 8.230 nan 0.000 0.476 31 L N -1.197 120.064 121.223 0.062 0.000 2.482 31 L HA 0.447 4.786 4.340 -0.000 0.000 0.263 31 L C 0.295 177.232 176.870 0.112 0.000 0.957 31 L CA -0.649 54.236 54.840 0.075 0.000 0.836 31 L CB 1.493 43.617 42.059 0.108 0.000 1.324 31 L HN -0.083 nan 8.230 nan 0.000 0.406 32 R N 1.031 121.490 120.500 -0.067 0.000 2.142 32 R HA 0.159 4.499 4.340 -0.000 0.000 0.204 32 R C 0.221 176.332 176.300 -0.316 0.000 1.059 32 R CA 0.561 56.535 56.100 -0.211 0.000 1.055 32 R CB -0.084 30.075 30.300 -0.235 0.000 0.976 32 R HN 0.685 nan 8.270 nan 0.000 0.483 33 H N 1.167 120.166 119.070 -0.119 0.000 3.220 33 H HA 0.084 4.640 4.556 -0.001 0.000 0.225 33 H C 0.722 176.071 175.328 0.035 0.000 1.869 33 H CA -0.247 55.752 56.048 -0.082 0.000 1.428 33 H CB -0.355 29.402 29.762 -0.008 0.000 1.792 33 H HN 0.391 nan 8.280 nan 0.000 0.595 34 H N 0.654 119.813 119.070 0.149 0.000 2.390 34 H HA -0.160 4.396 4.556 -0.000 0.000 0.298 34 H C 1.478 176.879 175.328 0.122 0.000 1.106 34 H CA 0.663 56.776 56.048 0.108 0.000 1.297 34 H CB 0.259 30.059 29.762 0.064 0.000 1.375 34 H HN 0.543 nan 8.280 nan 0.000 0.509 35 N N 0.533 119.361 118.700 0.214 0.000 2.573 35 N HA -0.080 4.660 4.740 -0.000 0.000 0.187 35 N C 1.223 176.832 175.510 0.164 0.000 1.107 35 N CA 0.821 53.965 53.050 0.157 0.000 0.918 35 N CB 0.048 38.587 38.487 0.087 0.000 0.966 35 N HN 0.532 nan 8.380 nan 0.000 0.448 36 M N -0.008 119.708 119.600 0.193 0.000 2.502 36 M HA 0.092 4.572 4.480 -0.000 0.000 0.243 36 M C -0.027 176.442 176.300 0.282 0.000 1.130 36 M CA 0.281 55.702 55.300 0.201 0.000 1.055 36 M CB 0.752 33.460 32.600 0.181 0.000 1.457 36 M HN -0.246 nan 8.290 nan 0.000 0.488 37 V N 1.189 121.281 119.914 0.296 0.000 2.427 37 V HA 0.358 4.478 4.120 -0.000 0.000 0.286 37 V C -0.792 175.555 176.094 0.421 0.000 1.034 37 V CA -0.736 61.758 62.300 0.322 0.000 0.893 37 V CB 0.818 32.808 31.823 0.278 0.000 0.982 37 V HN 0.311 nan 8.190 nan 0.000 0.452 38 Y N 2.442 122.881 120.300 0.232 0.000 2.615 38 Y HA 0.929 5.479 4.550 -0.001 0.000 0.341 38 Y C -0.510 175.450 175.900 0.100 0.000 1.089 38 Y CA -1.619 56.619 58.100 0.230 0.000 1.049 38 Y CB 1.636 40.197 38.460 0.170 0.000 1.296 38 Y HN 0.706 nan 8.280 nan 0.000 0.470 39 A N 1.451 124.281 122.820 0.016 0.000 2.355 39 A HA 0.665 4.984 4.320 -0.000 0.000 0.317 39 A C -0.234 177.343 177.584 -0.011 0.000 1.094 39 A CA -0.421 51.415 52.037 -0.336 0.000 0.764 39 A CB 0.549 19.132 19.000 -0.695 0.000 1.230 39 A HN 1.125 nan 8.150 nan 0.000 0.448 40 T N 0.286 114.817 114.554 -0.038 0.000 2.918 40 T HA 0.557 4.906 4.350 -0.000 0.000 0.302 40 T C 0.426 175.157 174.700 0.051 0.000 1.045 40 T CA 0.427 62.601 62.100 0.123 0.000 1.114 40 T CB 0.696 69.660 68.868 0.161 0.000 0.965 40 T HN 1.423 nan 8.240 nan 0.000 0.540 41 T N -1.684 112.918 114.554 0.080 0.000 2.864 41 T HA 0.486 4.836 4.350 -0.000 0.000 0.289 41 T C 1.425 176.152 174.700 0.045 0.000 1.082 41 T CA -0.267 61.865 62.100 0.054 0.000 1.009 41 T CB 1.286 70.195 68.868 0.068 0.000 1.234 41 T HN 0.720 nan 8.240 nan 0.000 0.526 42 S N 0.108 115.828 115.700 0.033 0.000 2.469 42 S HA -0.131 4.339 4.470 -0.000 0.000 0.238 42 S C 1.797 176.403 174.600 0.009 0.000 0.998 42 S CA 0.295 58.507 58.200 0.019 0.000 0.957 42 S CB -0.688 62.522 63.200 0.017 0.000 0.764 42 S HN 0.694 nan 8.310 nan 0.000 0.514 43 R N 1.599 122.111 120.500 0.020 0.000 2.159 43 R HA -0.057 4.283 4.340 -0.000 0.000 0.237 43 R C 2.174 178.475 176.300 0.001 0.000 1.131 43 R CA 1.556 57.663 56.100 0.012 0.000 0.982 43 R CB -0.605 29.710 30.300 0.025 0.000 0.868 43 R HN 0.757 nan 8.270 nan 0.000 0.453 44 S N -0.733 114.974 115.700 0.012 0.000 2.556 44 S HA 0.219 4.688 4.470 -0.000 0.000 0.216 44 S C 1.863 176.450 174.600 -0.023 0.000 0.970 44 S CA 0.237 58.438 58.200 0.003 0.000 0.912 44 S CB 0.748 63.970 63.200 0.036 0.000 0.790 44 S HN 0.260 nan 8.310 nan 0.000 0.504 45 A N 2.180 124.979 122.820 -0.035 0.000 1.948 45 A HA 0.075 4.395 4.320 -0.000 0.000 0.220 45 A C 2.268 179.763 177.584 -0.147 0.000 1.177 45 A CA 1.742 53.735 52.037 -0.074 0.000 0.636 45 A CB -1.707 17.251 19.000 -0.071 0.000 0.815 45 A HN 0.649 nan 8.150 nan 0.000 0.449 46 G N -0.487 108.227 108.800 -0.143 0.000 2.440 46 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 46 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 46 G C 1.568 176.362 174.900 -0.176 0.000 1.154 46 G CA 0.938 45.922 45.100 -0.194 0.000 0.767 46 G HN 0.439 nan 8.290 nan 0.000 0.552 47 L N -0.048 121.112 121.223 -0.105 0.000 2.017 47 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 47 L C 2.999 179.827 176.870 -0.069 0.000 1.073 47 L CA 1.792 56.589 54.840 -0.072 0.000 0.745 47 L CB -0.240 41.797 42.059 -0.037 0.000 0.894 47 L HN 0.234 nan 8.230 nan 0.000 0.432 48 R N 0.200 120.660 120.500 -0.067 0.000 2.105 48 R HA -0.208 4.132 4.340 -0.000 0.000 0.239 48 R C 2.209 178.457 176.300 -0.086 0.000 1.135 48 R CA 1.721 57.795 56.100 -0.042 0.000 0.967 48 R CB -0.416 29.869 30.300 -0.025 0.000 0.861 48 R HN 0.473 nan 8.270 nan 0.000 0.442 49 Q N 0.032 119.692 119.800 -0.234 0.000 2.096 49 Q HA -0.187 4.153 4.340 -0.000 0.000 0.204 49 Q C 2.007 177.899 176.000 -0.179 0.000 0.982 49 Q CA 2.062 57.616 55.803 -0.414 0.000 0.850 49 Q CB -0.146 28.007 28.738 -0.975 0.000 0.901 49 Q HN 0.366 nan 8.270 nan 0.000 0.422 50 K N 0.755 121.071 120.400 -0.140 0.000 2.097 50 K HA -0.123 4.197 4.320 -0.000 0.000 0.206 50 K C 1.995 178.651 176.600 0.093 0.000 1.049 50 K CA 1.070 57.348 56.287 -0.015 0.000 0.933 50 K CB 0.032 32.512 32.500 -0.033 0.000 0.717 50 K HN 0.103 nan 8.250 nan 0.000 0.442 51 K N 0.606 121.057 120.400 0.085 0.000 2.062 51 K HA -0.073 4.247 4.320 -0.000 0.000 0.205 51 K C 1.877 178.659 176.600 0.303 0.000 1.051 51 K CA 1.399 57.780 56.287 0.157 0.000 0.941 51 K CB 0.016 32.580 32.500 0.106 0.000 0.719 51 K HN 0.105 nan 8.250 nan 0.000 0.440 52 V N -0.925 119.144 119.914 0.259 0.000 3.646 52 V HA 0.074 4.194 4.120 -0.000 0.000 0.277 52 V C 0.127 176.386 176.094 0.274 0.000 1.274 52 V CA 0.127 62.624 62.300 0.329 0.000 1.164 52 V CB -0.298 31.669 31.823 0.240 0.000 0.926 52 V HN -0.038 nan 8.190 nan 0.000 0.442 53 T N 3.997 118.742 114.554 0.318 0.000 2.772 53 T HA 0.759 5.109 4.350 -0.000 0.000 0.288 53 T C -0.786 174.073 174.700 0.264 0.000 0.994 53 T CA -0.071 62.191 62.100 0.270 0.000 0.951 53 T CB 0.680 69.807 68.868 0.432 0.000 0.933 53 T HN 0.642 nan 8.240 nan 0.000 0.447 54 F N -0.012 120.078 119.950 0.233 0.000 2.807 54 F HA 0.607 5.134 4.527 0.001 0.000 0.316 54 F C -1.323 174.649 175.800 0.287 0.000 1.162 54 F CA -1.720 56.401 58.000 0.202 0.000 0.910 54 F CB 0.683 39.773 39.000 0.150 0.000 1.314 54 F HN 0.314 nan 8.300 nan 0.000 0.454 55 D N 0.777 121.523 120.400 0.576 0.000 2.264 55 D HA 0.518 5.157 4.640 -0.000 0.000 0.250 55 D C -0.809 175.689 176.300 0.329 0.000 1.113 55 D CA -0.042 54.197 54.000 0.397 0.000 0.871 55 D CB 0.851 41.829 40.800 0.298 0.000 1.167 55 D HN 0.576 nan 8.370 nan 0.000 0.447 56 R N 2.542 123.163 120.500 0.202 0.000 2.474 56 R HA 0.676 5.016 4.340 -0.000 0.000 0.295 56 R C -0.785 175.523 176.300 0.014 0.000 0.980 56 R CA -0.569 55.621 56.100 0.150 0.000 0.934 56 R CB 1.162 31.522 30.300 0.101 0.000 1.101 56 R HN 0.447 nan 8.270 nan 0.000 0.469 57 L N 1.999 123.213 121.223 -0.015 0.000 2.408 57 L HA 0.495 4.835 4.340 -0.000 0.000 0.268 57 L C -0.656 176.162 176.870 -0.086 0.000 0.986 57 L CA -0.693 54.089 54.840 -0.096 0.000 0.820 57 L CB 2.261 44.284 42.059 -0.060 0.000 1.303 57 L HN 0.440 nan 8.230 nan 0.000 0.411 58 Q N 2.690 122.413 119.800 -0.129 0.000 2.323 58 Q HA 0.575 4.914 4.340 -0.000 0.000 0.271 58 Q C -1.258 174.678 176.000 -0.107 0.000 1.048 58 Q CA -0.740 55.001 55.803 -0.104 0.000 0.792 58 Q CB 3.538 32.197 28.738 -0.132 0.000 1.280 58 Q HN 0.484 nan 8.270 nan 0.000 0.441 59 V N 0.800 120.673 119.914 -0.069 0.000 2.380 59 V HA 0.558 4.678 4.120 -0.000 0.000 0.286 59 V C -0.616 175.459 176.094 -0.030 0.000 1.015 59 V CA -0.840 61.424 62.300 -0.060 0.000 0.834 59 V CB 0.817 32.611 31.823 -0.048 0.000 1.009 59 V HN 0.612 nan 8.190 nan 0.000 0.428 60 L N 5.295 126.449 121.223 -0.115 0.000 2.282 60 L HA 0.654 4.993 4.340 -0.000 0.000 0.288 60 L C 0.003 176.861 176.870 -0.020 0.000 1.033 60 L CA -0.409 54.318 54.840 -0.188 0.000 0.807 60 L CB 1.471 43.224 42.059 -0.511 0.000 1.209 60 L HN 0.857 nan 8.230 nan 0.000 0.423 61 D N 0.366 120.835 120.400 0.115 0.000 2.588 61 D HA 0.151 4.790 4.640 -0.000 0.000 0.268 61 D C 0.230 176.593 176.300 0.104 0.000 1.176 61 D CA -0.648 53.414 54.000 0.103 0.000 1.080 61 D CB 0.655 41.532 40.800 0.128 0.000 1.186 61 D HN 0.372 nan 8.370 nan 0.000 0.619 62 D N -1.597 118.810 120.400 0.011 0.000 2.178 62 D HA -0.142 4.498 4.640 -0.000 0.000 0.201 62 D C 1.718 178.020 176.300 0.004 0.000 0.980 62 D CA 1.086 55.067 54.000 -0.031 0.000 0.842 62 D CB -0.031 40.697 40.800 -0.120 0.000 0.948 62 D HN 0.366 nan 8.370 nan 0.000 0.472 63 H N -0.850 118.284 119.070 0.106 0.000 2.353 63 H HA -0.150 4.405 4.556 -0.001 0.000 0.300 63 H C 1.835 177.202 175.328 0.064 0.000 1.090 63 H CA 1.120 57.223 56.048 0.091 0.000 1.327 63 H CB -0.583 29.260 29.762 0.135 0.000 1.383 63 H HN 0.332 nan 8.280 nan 0.000 0.508 64 Y N 1.937 122.274 120.300 0.060 0.000 2.070 64 Y HA -0.230 4.320 4.550 -0.001 0.000 0.280 64 Y C 2.705 178.552 175.900 -0.089 0.000 1.148 64 Y CA 1.697 59.709 58.100 -0.148 0.000 1.125 64 Y CB -0.101 38.184 38.460 -0.292 0.000 0.975 64 Y HN -0.057 nan 8.280 nan 0.000 0.492 65 R N 0.150 120.727 120.500 0.128 0.000 2.120 65 R HA -0.150 4.189 4.340 -0.000 0.000 0.234 65 R C 1.766 178.042 176.300 -0.040 0.000 1.123 65 R CA 1.379 57.495 56.100 0.026 0.000 0.975 65 R CB -0.305 30.048 30.300 0.088 0.000 0.866 65 R HN 0.471 nan 8.270 nan 0.000 0.446 66 D N 0.112 120.508 120.400 -0.007 0.000 2.117 66 D HA -0.110 4.530 4.640 -0.000 0.000 0.198 66 D C 1.947 178.228 176.300 -0.032 0.000 0.982 66 D CA 1.066 55.065 54.000 -0.002 0.000 0.828 66 D CB -0.064 40.760 40.800 0.041 0.000 0.967 66 D HN 0.017 nan 8.370 nan 0.000 0.464 67 V N 1.314 121.187 119.914 -0.068 0.000 2.427 67 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 67 V C 2.438 178.457 176.094 -0.125 0.000 1.051 67 V CA 0.839 63.082 62.300 -0.095 0.000 1.048 67 V CB -0.356 31.377 31.823 -0.150 0.000 0.666 67 V HN 0.118 nan 8.190 nan 0.000 0.456 68 L N 0.627 121.716 121.223 -0.224 0.000 2.046 68 L HA -0.176 4.163 4.340 -0.000 0.000 0.208 68 L C 2.389 179.194 176.870 -0.108 0.000 1.077 68 L CA 2.194 56.904 54.840 -0.217 0.000 0.747 68 L CB -0.833 41.039 42.059 -0.313 0.000 0.896 68 L HN 0.253 nan 8.230 nan 0.000 0.432 69 K N -0.512 119.842 120.400 -0.077 0.000 2.063 69 K HA -0.224 4.095 4.320 -0.000 0.000 0.208 69 K C 1.964 178.547 176.600 -0.028 0.000 1.048 69 K CA 1.923 58.185 56.287 -0.042 0.000 0.928 69 K CB -0.109 32.376 32.500 -0.025 0.000 0.713 69 K HN 0.517 nan 8.250 nan 0.000 0.442 70 E N 0.159 120.347 120.200 -0.021 0.000 2.051 70 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 70 E C 2.102 178.703 176.600 0.001 0.000 0.991 70 E CA 1.659 58.058 56.400 -0.001 0.000 0.799 70 E CB -0.071 29.639 29.700 0.017 0.000 0.748 70 E HN 0.342 nan 8.360 nan 0.000 0.449 71 M N 0.572 120.172 119.600 -0.001 0.000 2.117 71 M HA -0.193 4.287 4.480 -0.000 0.000 0.262 71 M C 2.133 178.412 176.300 -0.035 0.000 1.065 71 M CA 1.509 56.805 55.300 -0.007 0.000 1.114 71 M CB -0.188 32.411 32.600 -0.002 0.000 1.361 71 M HN -0.049 nan 8.290 nan 0.000 0.408 72 K N 0.275 120.651 120.400 -0.041 0.000 2.097 72 K HA -0.074 4.246 4.320 -0.000 0.000 0.206 72 K C 2.118 178.703 176.600 -0.025 0.000 1.049 72 K CA 1.331 57.595 56.287 -0.038 0.000 0.933 72 K CB -0.258 32.219 32.500 -0.038 0.000 0.717 72 K HN 0.303 nan 8.250 nan 0.000 0.442 73 A N 1.876 124.685 122.820 -0.020 0.000 1.902 73 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 73 A C 1.884 179.459 177.584 -0.016 0.000 1.181 73 A CA 1.568 53.597 52.037 -0.013 0.000 0.623 73 A CB -0.250 18.745 19.000 -0.008 0.000 0.818 73 A HN 0.189 nan 8.150 nan 0.000 0.443 74 K N -0.388 119.999 120.400 -0.021 0.000 2.062 74 K HA 0.047 4.367 4.320 -0.000 0.000 0.205 74 K C 2.296 178.875 176.600 -0.036 0.000 1.051 74 K CA 0.948 57.217 56.287 -0.030 0.000 0.941 74 K CB -0.318 32.158 32.500 -0.041 0.000 0.719 74 K HN 0.413 nan 8.250 nan 0.000 0.440 75 A N 1.181 123.978 122.820 -0.038 0.000 1.948 75 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 75 A C 2.119 179.694 177.584 -0.015 0.000 1.177 75 A CA 1.968 53.986 52.037 -0.031 0.000 0.636 75 A CB -0.598 18.384 19.000 -0.029 0.000 0.815 75 A HN 0.194 nan 8.150 nan 0.000 0.449 76 S N -0.406 115.286 115.700 -0.013 0.000 2.442 76 S HA -0.128 4.342 4.470 -0.000 0.000 0.236 76 S C 2.013 176.610 174.600 -0.006 0.000 1.007 76 S CA 1.706 59.903 58.200 -0.005 0.000 0.965 76 S CB -0.577 62.620 63.200 -0.005 0.000 0.773 76 S HN 0.923 nan 8.310 nan 0.000 0.504 77 T N -0.503 114.044 114.554 -0.012 0.000 3.118 77 T HA 0.142 4.492 4.350 -0.000 0.000 0.260 77 T C 0.563 175.255 174.700 -0.013 0.000 1.139 77 T CA -0.000 62.093 62.100 -0.012 0.000 1.085 77 T CB -0.366 68.493 68.868 -0.016 0.000 0.934 77 T HN 0.038 nan 8.240 nan 0.000 0.518 78 V N 1.888 121.793 119.914 -0.015 0.000 2.583 78 V HA 0.375 4.494 4.120 -0.000 0.000 0.287 78 V C 0.151 176.242 176.094 -0.004 0.000 1.051 78 V CA -0.664 61.626 62.300 -0.016 0.000 1.010 78 V CB 1.235 33.044 31.823 -0.023 0.000 0.988 78 V HN 0.382 nan 8.190 nan 0.000 0.478 79 K N 3.436 123.833 120.400 -0.004 0.000 2.413 79 K HA 0.749 5.068 4.320 -0.000 0.000 0.257 79 K C -0.785 175.818 176.600 0.004 0.000 0.946 79 K CA -0.459 55.830 56.287 0.004 0.000 0.823 79 K CB 1.605 34.108 32.500 0.005 0.000 1.109 79 K HN 0.820 nan 8.250 nan 0.000 0.427 80 A N 4.208 127.036 122.820 0.013 0.000 2.350 80 A HA 0.476 4.796 4.320 -0.000 0.000 0.324 80 A C -1.082 176.518 177.584 0.027 0.000 1.118 80 A CA -0.892 51.153 52.037 0.014 0.000 0.783 80 A CB 0.856 19.862 19.000 0.010 0.000 1.236 80 A HN 0.815 nan 8.150 nan 0.000 0.457 81 K N 1.893 122.311 120.400 0.031 0.000 2.123 81 K HA 0.668 4.988 4.320 -0.000 0.000 0.259 81 K C -1.078 175.549 176.600 0.045 0.000 0.960 81 K CA -0.759 55.549 56.287 0.035 0.000 0.872 81 K CB 1.280 33.798 32.500 0.029 0.000 1.079 81 K HN 0.366 nan 8.250 nan 0.000 0.440 82 L N 2.796 124.043 121.223 0.039 0.000 2.380 82 L HA 0.219 4.559 4.340 -0.000 0.000 0.273 82 L C -0.561 176.299 176.870 -0.015 0.000 1.138 82 L CA -0.450 54.408 54.840 0.030 0.000 0.832 82 L CB 0.644 42.724 42.059 0.034 0.000 1.124 82 L HN 0.657 nan 8.230 nan 0.000 0.454 83 L N 2.948 124.146 121.223 -0.042 0.000 2.379 83 L HA 0.459 4.799 4.340 -0.000 0.000 0.269 83 L C 0.354 177.124 176.870 -0.167 0.000 1.084 83 L CA 0.267 55.063 54.840 -0.073 0.000 0.802 83 L CB 1.542 43.567 42.059 -0.056 0.000 1.175 83 L HN 0.843 nan 8.230 nan 0.000 0.448 84 S N 1.197 116.807 115.700 -0.150 0.000 2.632 84 S HA 0.309 4.778 4.470 -0.000 0.000 0.271 84 S C 1.199 175.664 174.600 -0.224 0.000 1.260 84 S CA -0.666 57.424 58.200 -0.183 0.000 1.010 84 S CB 1.207 64.335 63.200 -0.120 0.000 0.965 84 S HN 0.365 nan 8.310 nan 0.000 0.534 85 V N 1.585 121.336 119.914 -0.272 0.000 2.282 85 V HA -0.209 3.910 4.120 -0.000 0.000 0.249 85 V C 2.803 178.777 176.094 -0.200 0.000 1.057 85 V CA 2.477 64.601 62.300 -0.294 0.000 1.032 85 V CB -1.257 30.328 31.823 -0.398 0.000 0.645 85 V HN 1.076 nan 8.190 nan 0.000 0.447 86 E N 0.028 120.137 120.200 -0.153 0.000 2.085 86 E HA -0.288 4.062 4.350 -0.000 0.000 0.194 86 E C 2.175 178.702 176.600 -0.121 0.000 0.994 86 E CA 1.882 58.212 56.400 -0.116 0.000 0.801 86 E CB -0.101 29.549 29.700 -0.084 0.000 0.743 86 E HN 0.745 nan 8.360 nan 0.000 0.453 87 E N 0.129 120.253 120.200 -0.127 0.000 2.031 87 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 87 E C 2.097 178.586 176.600 -0.186 0.000 0.994 87 E CA 1.018 57.336 56.400 -0.136 0.000 0.800 87 E CB -0.196 29.433 29.700 -0.117 0.000 0.752 87 E HN 0.371 nan 8.360 nan 0.000 0.447 88 A N 0.782 123.484 122.820 -0.195 0.000 1.940 88 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 88 A C 2.422 179.893 177.584 -0.188 0.000 1.176 88 A CA 1.291 53.199 52.037 -0.214 0.000 0.631 88 A CB -0.928 17.964 19.000 -0.180 0.000 0.814 88 A HN 0.375 nan 8.150 nan 0.000 0.446 89 C N -0.212 118.996 119.300 -0.154 0.000 2.432 89 C HA -0.066 4.394 4.460 -0.000 0.000 0.277 89 C C 2.557 177.470 174.990 -0.128 0.000 1.249 89 C CA 1.264 60.209 59.018 -0.122 0.000 1.725 89 C CB -0.724 26.952 27.740 -0.106 0.000 2.028 89 C HN 0.521 nan 8.230 nan 0.000 0.477 90 K N 1.083 121.405 120.400 -0.130 0.000 2.360 90 K HA 0.014 4.334 4.320 -0.000 0.000 0.201 90 K C 1.452 177.972 176.600 -0.133 0.000 1.046 90 K CA 0.904 57.125 56.287 -0.109 0.000 0.945 90 K CB -0.562 31.884 32.500 -0.090 0.000 0.750 90 K HN 0.550 nan 8.250 nan 0.000 0.464 91 L N 1.004 122.095 121.223 -0.219 0.000 2.558 91 L HA 0.014 4.354 4.340 -0.000 0.000 0.225 91 L C 0.309 177.039 176.870 -0.233 0.000 1.128 91 L CA 0.140 54.788 54.840 -0.320 0.000 0.868 91 L CB -0.288 41.474 42.059 -0.496 0.000 1.006 91 L HN -0.077 nan 8.230 nan 0.000 0.454 92 T N 1.716 116.165 114.554 -0.176 0.000 2.814 92 T HA 0.188 4.537 4.350 -0.000 0.000 0.297 92 T C -2.294 172.257 174.700 -0.249 0.000 0.956 92 T CA -1.080 60.919 62.100 -0.168 0.000 1.123 92 T CB 0.912 69.705 68.868 -0.125 0.000 0.902 92 T HN -0.135 nan 8.240 nan 0.000 0.528 93 P HA 0.109 nan 4.420 nan 0.000 0.265 93 P C -1.854 175.141 177.300 -0.509 0.000 1.193 93 P CA -1.229 61.593 63.100 -0.464 0.000 0.765 93 P CB 0.217 31.776 31.700 -0.236 0.000 0.823 94 P HA -0.172 nan 4.420 nan 0.000 0.217 94 P C 0.316 177.314 177.300 -0.504 0.000 1.148 94 P CA 1.700 64.418 63.100 -0.637 0.000 0.828 94 P CB -0.152 31.066 31.700 -0.803 0.000 0.783 95 H N -2.502 116.435 119.070 -0.223 0.000 2.486 95 H HA 0.280 4.836 4.556 -0.001 0.000 0.284 95 H C 0.553 175.796 175.328 -0.142 0.000 1.103 95 H CA -0.520 55.439 56.048 -0.149 0.000 1.089 95 H CB 0.148 29.839 29.762 -0.118 0.000 1.603 95 H HN -0.002 nan 8.280 nan 0.000 0.557 96 S N 1.291 116.941 115.700 -0.083 0.000 2.573 96 S HA 0.274 4.744 4.470 -0.000 0.000 0.277 96 S C 0.777 175.325 174.600 -0.086 0.000 1.346 96 S CA -0.520 57.617 58.200 -0.105 0.000 1.034 96 S CB 0.279 63.406 63.200 -0.121 0.000 0.879 96 S HN 0.499 nan 8.310 nan 0.000 0.528 97 A N 4.397 127.143 122.820 -0.122 0.000 2.561 97 A HA 0.206 4.526 4.320 -0.000 0.000 0.251 97 A C 0.582 178.136 177.584 -0.050 0.000 1.062 97 A CA -0.021 51.968 52.037 -0.080 0.000 0.761 97 A CB -0.385 18.555 19.000 -0.099 0.000 0.986 97 A HN 0.854 nan 8.150 nan 0.000 0.510 98 K N 2.597 122.962 120.400 -0.058 0.000 2.380 98 K HA 0.278 4.597 4.320 -0.000 0.000 0.267 98 K C 0.370 176.868 176.600 -0.169 0.000 0.990 98 K CA 0.150 56.368 56.287 -0.115 0.000 0.946 98 K CB 0.446 32.885 32.500 -0.101 0.000 0.937 98 K HN 0.450 nan 8.250 nan 0.000 0.491 99 S N 0.788 116.272 115.700 -0.361 0.000 2.593 99 S HA 0.062 4.532 4.470 -0.000 0.000 0.269 99 S C 0.376 174.749 174.600 -0.377 0.000 1.334 99 S CA -0.536 57.412 58.200 -0.421 0.000 1.015 99 S CB 0.559 63.188 63.200 -0.951 0.000 0.912 99 S HN 0.686 nan 8.310 nan 0.000 0.541 100 K N 1.907 122.054 120.400 -0.422 0.000 2.458 100 K HA 0.137 4.456 4.320 -0.000 0.000 0.194 100 K C -0.470 175.679 176.600 -0.751 0.000 1.024 100 K CA 0.394 56.347 56.287 -0.556 0.000 1.108 100 K CB 0.029 32.153 32.500 -0.627 0.000 0.846 100 K HN 0.524 nan 8.250 nan 0.000 0.518 101 F N 0.635 120.436 119.950 -0.248 0.000 2.923 101 F HA 0.274 4.800 4.527 -0.001 0.000 0.314 101 F C 0.936 176.697 175.800 -0.065 0.000 1.196 101 F CA -0.813 57.064 58.000 -0.205 0.000 1.320 101 F CB 0.756 39.480 39.000 -0.460 0.000 0.953 101 F HN 0.075 nan 8.300 nan 0.000 0.505 102 G N 1.035 109.847 108.800 0.019 0.000 2.248 102 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.263 102 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.263 102 G C -0.500 174.538 174.900 0.230 0.000 1.082 102 G CA 0.185 45.346 45.100 0.102 0.000 0.863 102 G HN 0.709 nan 8.290 nan 0.000 0.495 103 Y N -3.511 116.781 120.300 -0.014 0.000 2.717 103 Y HA 0.624 5.174 4.550 -0.000 0.000 0.345 103 Y C 0.180 176.079 175.900 -0.002 0.000 1.187 103 Y CA -0.819 57.278 58.100 -0.005 0.000 1.128 103 Y CB 0.250 38.713 38.460 0.005 0.000 1.360 103 Y HN 0.916 nan 8.280 nan 0.000 0.467 104 G N 0.096 108.945 108.800 0.081 0.000 3.140 104 G HA2 0.579 4.539 3.960 -0.000 0.000 0.271 104 G HA3 0.579 4.539 3.960 -0.000 0.000 0.271 104 G C 0.295 175.229 174.900 0.057 0.000 1.370 104 G CA -0.767 44.327 45.100 -0.009 0.000 1.014 104 G HN 1.344 nan 8.290 nan 0.000 0.541 105 A N -0.350 122.465 122.820 -0.008 0.000 1.978 105 A HA -0.039 4.281 4.320 -0.000 0.000 0.220 105 A C 2.295 179.852 177.584 -0.046 0.000 1.170 105 A CA 1.889 53.905 52.037 -0.035 0.000 0.636 105 A CB -0.352 18.588 19.000 -0.100 0.000 0.810 105 A HN 0.414 nan 8.150 nan 0.000 0.448 106 K N 0.339 120.717 120.400 -0.038 0.000 2.057 106 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 106 K C 1.452 178.044 176.600 -0.014 0.000 1.049 106 K CA 1.496 57.755 56.287 -0.046 0.000 0.931 106 K CB -0.596 31.886 32.500 -0.029 0.000 0.714 106 K HN 0.567 nan 8.250 nan 0.000 0.440 107 D N 0.704 121.126 120.400 0.037 0.000 2.117 107 D HA -0.106 4.534 4.640 -0.000 0.000 0.198 107 D C 2.124 178.441 176.300 0.028 0.000 0.982 107 D CA 0.795 54.825 54.000 0.050 0.000 0.828 107 D CB -0.140 40.737 40.800 0.128 0.000 0.967 107 D HN -0.097 nan 8.370 nan 0.000 0.464 108 V N 1.554 121.510 119.914 0.070 0.000 2.261 108 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 108 V C 2.535 178.609 176.094 -0.033 0.000 1.047 108 V CA 1.655 63.974 62.300 0.031 0.000 1.015 108 V CB -0.426 31.440 31.823 0.073 0.000 0.642 108 V HN 0.117 nan 8.190 nan 0.000 0.446 109 R N 0.154 120.622 120.500 -0.053 0.000 2.127 109 R HA -0.136 4.204 4.340 -0.000 0.000 0.238 109 R C 1.763 178.026 176.300 -0.061 0.000 1.134 109 R CA 1.726 57.780 56.100 -0.077 0.000 0.975 109 R CB -0.440 29.793 30.300 -0.112 0.000 0.865 109 R HN 0.636 nan 8.270 nan 0.000 0.447 110 N N 0.792 119.464 118.700 -0.048 0.000 2.398 110 N HA 0.092 4.832 4.740 -0.000 0.000 0.188 110 N C -0.382 175.103 175.510 -0.041 0.000 1.122 110 N CA -0.121 52.904 53.050 -0.040 0.000 0.866 110 N CB 0.250 38.718 38.487 -0.031 0.000 0.970 110 N HN 0.057 nan 8.380 nan 0.000 0.462 111 L N 0.947 122.140 121.223 -0.050 0.000 3.678 111 L HA -0.231 4.109 4.340 -0.000 0.000 0.425 111 L C 0.330 177.167 176.870 -0.054 0.000 1.240 111 L CA -0.242 54.563 54.840 -0.058 0.000 0.876 111 L CB -2.534 39.493 42.059 -0.053 0.000 1.766 111 L HN 0.205 nan 8.230 nan 0.000 0.917 112 S N -0.597 115.070 115.700 -0.055 0.000 2.560 112 S HA 0.252 4.722 4.470 -0.000 0.000 0.284 112 S C 1.558 176.115 174.600 -0.072 0.000 1.327 112 S CA -0.012 58.157 58.200 -0.052 0.000 1.055 112 S CB 1.726 64.901 63.200 -0.041 0.000 0.868 112 S HN 0.538 nan 8.310 nan 0.000 0.506 113 S N 3.568 119.238 115.700 -0.050 0.000 2.387 113 S HA -0.244 4.226 4.470 -0.000 0.000 0.230 113 S C 1.722 176.281 174.600 -0.067 0.000 1.035 113 S CA 1.371 59.545 58.200 -0.044 0.000 1.014 113 S CB -0.644 62.541 63.200 -0.025 0.000 0.836 113 S HN 0.879 nan 8.310 nan 0.000 0.466 114 K N 1.699 122.048 120.400 -0.084 0.000 2.002 114 K HA -0.011 4.309 4.320 -0.000 0.000 0.209 114 K C 2.429 178.855 176.600 -0.289 0.000 1.048 114 K CA 1.194 57.412 56.287 -0.115 0.000 0.930 114 K CB -0.696 31.762 32.500 -0.069 0.000 0.714 114 K HN 0.429 nan 8.250 nan 0.000 0.438 115 A N 0.679 123.232 122.820 -0.445 0.000 1.877 115 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 115 A C 2.258 179.591 177.584 -0.419 0.000 1.186 115 A CA 1.828 53.359 52.037 -0.843 0.000 0.620 115 A CB -0.773 17.917 19.000 -0.517 0.000 0.822 115 A HN 0.192 nan 8.150 nan 0.000 0.443 116 V N 1.074 120.857 119.914 -0.218 0.000 2.343 116 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 116 V C 2.276 178.342 176.094 -0.047 0.000 1.051 116 V CA 2.107 64.325 62.300 -0.136 0.000 1.036 116 V CB -1.042 30.741 31.823 -0.067 0.000 0.654 116 V HN 0.544 nan 8.190 nan 0.000 0.451 117 N N -0.584 118.106 118.700 -0.017 0.000 2.166 117 N HA -0.182 4.558 4.740 -0.000 0.000 0.186 117 N C 1.889 177.422 175.510 0.037 0.000 1.019 117 N CA 1.548 54.626 53.050 0.046 0.000 0.856 117 N CB -0.531 37.967 38.487 0.017 0.000 0.993 117 N HN 0.649 nan 8.380 nan 0.000 0.426 118 H N 0.777 119.777 119.070 -0.117 0.000 2.389 118 H HA 0.076 4.631 4.556 -0.001 0.000 0.299 118 H C 2.080 177.388 175.328 -0.034 0.000 1.081 118 H CA 0.832 56.830 56.048 -0.084 0.000 1.345 118 H CB 0.088 29.802 29.762 -0.079 0.000 1.393 118 H HN 0.125 nan 8.280 nan 0.000 0.520 119 I N 0.149 120.662 120.570 -0.095 0.000 2.226 119 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 119 I C 2.313 178.374 176.117 -0.093 0.000 1.100 119 I CA 1.458 62.694 61.300 -0.108 0.000 1.374 119 I CB -0.453 37.465 38.000 -0.138 0.000 1.057 119 I HN 0.334 nan 8.210 nan 0.000 0.413 120 H N -0.751 118.288 119.070 -0.051 0.000 2.387 120 H HA -0.167 4.388 4.556 -0.000 0.000 0.299 120 H C 2.550 177.890 175.328 0.020 0.000 1.090 120 H CA 1.660 57.708 56.048 -0.000 0.000 1.332 120 H CB 0.117 29.861 29.762 -0.029 0.000 1.386 120 H HN 0.206 nan 8.280 nan 0.000 0.516 121 S N -0.329 115.397 115.700 0.043 0.000 2.368 121 S HA -0.127 4.342 4.470 -0.000 0.000 0.224 121 S C 2.241 176.777 174.600 -0.107 0.000 1.029 121 S CA 1.205 59.372 58.200 -0.055 0.000 0.988 121 S CB -0.389 62.727 63.200 -0.141 0.000 0.838 121 S HN 0.206 nan 8.310 nan 0.000 0.462 122 V N 1.233 121.031 119.914 -0.193 0.000 2.358 122 V HA -0.121 3.999 4.120 -0.000 0.000 0.246 122 V C 2.062 178.154 176.094 -0.004 0.000 1.047 122 V CA 1.710 63.918 62.300 -0.154 0.000 1.035 122 V CB -0.906 30.814 31.823 -0.171 0.000 0.658 122 V HN 0.707 nan 8.190 nan 0.000 0.452 123 W N 1.532 122.772 121.300 -0.100 0.000 2.355 123 W HA -0.241 4.419 4.660 -0.001 0.000 0.309 123 W C 2.534 179.031 176.519 -0.036 0.000 1.206 123 W CA 2.351 59.664 57.345 -0.052 0.000 1.284 123 W CB -0.147 29.297 29.460 -0.026 0.000 1.145 123 W HN 0.240 nan 8.180 nan 0.000 0.502 124 K N 0.588 121.043 120.400 0.092 0.000 2.063 124 K HA -0.281 4.038 4.320 -0.000 0.000 0.208 124 K C 1.739 178.273 176.600 -0.109 0.000 1.048 124 K CA 2.319 58.599 56.287 -0.012 0.000 0.928 124 K CB -0.631 31.894 32.500 0.042 0.000 0.713 124 K HN 0.017 nan 8.250 nan 0.000 0.442 125 D N 0.269 120.609 120.400 -0.101 0.000 2.144 125 D HA -0.143 4.497 4.640 -0.000 0.000 0.199 125 D C 1.964 178.170 176.300 -0.158 0.000 0.984 125 D CA 0.990 54.923 54.000 -0.111 0.000 0.834 125 D CB 0.051 40.791 40.800 -0.099 0.000 0.955 125 D HN 0.234 nan 8.370 nan 0.000 0.465 126 L N -0.112 120.974 121.223 -0.228 0.000 2.083 126 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 126 L C 2.416 179.099 176.870 -0.311 0.000 1.083 126 L CA 0.670 55.336 54.840 -0.289 0.000 0.752 126 L CB -0.341 41.469 42.059 -0.414 0.000 0.899 126 L HN 0.226 nan 8.230 nan 0.000 0.433 127 L N -0.848 120.157 121.223 -0.363 0.000 2.156 127 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 127 L C 2.233 179.008 176.870 -0.160 0.000 1.095 127 L CA 1.094 55.765 54.840 -0.281 0.000 0.770 127 L CB -0.376 41.516 42.059 -0.279 0.000 0.914 127 L HN 0.309 nan 8.230 nan 0.000 0.439 128 E N -1.034 119.087 120.200 -0.132 0.000 2.340 128 E HA -0.031 4.319 4.350 -0.000 0.000 0.194 128 E C 0.184 176.738 176.600 -0.077 0.000 0.996 128 E CA 0.127 56.475 56.400 -0.086 0.000 0.869 128 E CB 0.367 30.027 29.700 -0.066 0.000 0.835 128 E HN 0.198 nan 8.360 nan 0.000 0.493 129 D N 0.716 121.061 120.400 -0.090 0.000 2.481 129 D HA 0.064 4.704 4.640 -0.000 0.000 0.246 129 D C -0.137 176.112 176.300 -0.085 0.000 1.109 129 D CA -0.310 53.645 54.000 -0.073 0.000 0.845 129 D CB 1.525 42.287 40.800 -0.064 0.000 1.160 129 D HN -0.044 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 0.262 4.611 4.350 -0.000 0.000 0.278 130 T C 0.875 175.547 174.700 -0.047 0.000 1.014 130 T CA -0.179 61.881 62.100 -0.067 0.000 0.904 130 T CB 0.180 69.012 68.868 -0.059 0.000 1.110 130 T HN 0.137 nan 8.240 nan 0.000 0.541 131 V N 0.092 119.983 119.914 -0.040 0.000 3.159 131 V HA 0.196 4.315 4.120 -0.000 0.000 0.234 131 V C 0.967 177.052 176.094 -0.016 0.000 1.313 131 V CA 0.256 62.541 62.300 -0.025 0.000 1.271 131 V CB 0.201 32.012 31.823 -0.020 0.000 1.053 131 V HN 0.460 nan 8.190 nan 0.000 0.476 132 T N 4.296 118.838 114.554 -0.020 0.000 2.765 132 T HA 0.169 4.519 4.350 -0.000 0.000 0.284 132 T C -2.417 172.280 174.700 -0.004 0.000 0.946 132 T CA -0.457 61.639 62.100 -0.007 0.000 1.185 132 T CB 0.500 69.362 68.868 -0.010 0.000 0.887 132 T HN 0.181 nan 8.240 nan 0.000 0.532 133 P HA 0.110 nan 4.420 nan 0.000 0.264 133 P C -0.092 177.210 177.300 0.002 0.000 1.183 133 P CA -0.019 63.095 63.100 0.023 0.000 0.763 133 P CB 0.373 32.135 31.700 0.103 0.000 0.807 134 I N 2.293 122.845 120.570 -0.029 0.000 2.396 134 I HA 0.149 4.319 4.170 -0.000 0.000 0.292 134 I C 0.925 177.026 176.117 -0.026 0.000 0.999 134 I CA -0.446 60.841 61.300 -0.021 0.000 1.310 134 I CB 0.879 38.855 38.000 -0.039 0.000 1.404 134 I HN 0.328 nan 8.210 nan 0.000 0.496 135 D N 4.094 124.495 120.400 0.001 0.000 2.399 135 D HA 0.236 4.876 4.640 -0.000 0.000 0.241 135 D C -0.351 175.917 176.300 -0.054 0.000 1.133 135 D CA 0.229 54.217 54.000 -0.020 0.000 0.890 135 D CB 0.870 41.674 40.800 0.008 0.000 1.201 135 D HN 0.638 nan 8.370 nan 0.000 0.432 136 T N -0.892 113.600 114.554 -0.103 0.000 2.896 136 T HA 0.609 4.959 4.350 -0.000 0.000 0.297 136 T C -0.491 174.057 174.700 -0.252 0.000 1.108 136 T CA -0.950 61.049 62.100 -0.169 0.000 1.004 136 T CB 1.566 70.356 68.868 -0.130 0.000 1.159 136 T HN 0.216 nan 8.240 nan 0.000 0.499 137 T N 2.152 116.405 114.554 -0.502 0.000 2.824 137 T HA 0.618 4.968 4.350 -0.000 0.000 0.280 137 T C -0.528 173.912 174.700 -0.433 0.000 0.995 137 T CA -0.608 61.168 62.100 -0.540 0.000 1.009 137 T CB 0.834 69.188 68.868 -0.858 0.000 0.955 137 T HN 0.745 nan 8.240 nan 0.000 0.452 138 I N 4.173 124.648 120.570 -0.158 0.000 2.378 138 I HA 0.563 4.732 4.170 -0.000 0.000 0.291 138 I C -1.069 175.075 176.117 0.045 0.000 0.992 138 I CA -0.786 60.510 61.300 -0.008 0.000 1.154 138 I CB 0.693 38.737 38.000 0.075 0.000 1.315 138 I HN 0.425 nan 8.210 nan 0.000 0.448 139 M N 6.289 125.960 119.600 0.119 0.000 2.593 139 M HA 0.518 4.998 4.480 -0.000 0.000 0.290 139 M C -0.691 175.672 176.300 0.105 0.000 1.244 139 M CA -0.633 54.743 55.300 0.128 0.000 0.857 139 M CB 1.843 34.570 32.600 0.212 0.000 1.738 139 M HN 0.594 nan 8.290 nan 0.000 0.461 140 A N 1.969 124.832 122.820 0.071 0.000 2.289 140 A HA 0.514 4.834 4.320 -0.000 0.000 0.298 140 A C -0.107 177.508 177.584 0.052 0.000 1.208 140 A CA -0.513 51.556 52.037 0.054 0.000 0.845 140 A CB 0.272 19.292 19.000 0.033 0.000 1.125 140 A HN 0.759 nan 8.150 nan 0.000 0.517 141 K N 1.836 122.268 120.400 0.053 0.000 2.295 141 K HA 0.088 4.408 4.320 -0.000 0.000 0.270 141 K C -0.462 176.130 176.600 -0.014 0.000 1.011 141 K CA 0.207 56.508 56.287 0.024 0.000 0.953 141 K CB 0.529 33.050 32.500 0.034 0.000 0.956 141 K HN 0.773 nan 8.250 nan 0.000 0.477 142 N N 2.842 121.503 118.700 -0.066 0.000 2.699 142 N HA 0.075 4.814 4.740 -0.000 0.000 0.232 142 N C -1.265 174.087 175.510 -0.264 0.000 1.027 142 N CA -0.277 52.691 53.050 -0.137 0.000 0.920 142 N CB 0.820 39.236 38.487 -0.119 0.000 1.148 142 N HN 0.389 nan 8.380 nan 0.000 0.509 143 E N 0.930 120.934 120.200 -0.327 0.000 2.212 143 E HA 0.395 4.745 4.350 -0.000 0.000 0.268 143 E C -0.652 175.417 176.600 -0.884 0.000 0.902 143 E CA -0.936 55.123 56.400 -0.569 0.000 0.779 143 E CB 2.579 31.962 29.700 -0.527 0.000 1.172 143 E HN 0.059 nan 8.360 nan 0.000 0.409 144 V N 3.165 122.485 119.914 -0.991 0.000 2.567 144 V HA 0.431 4.551 4.120 -0.000 0.000 0.289 144 V C -0.679 174.775 176.094 -1.067 0.000 1.049 144 V CA -0.107 61.630 62.300 -0.937 0.000 0.969 144 V CB 0.168 31.583 31.823 -0.680 0.000 0.995 144 V HN 0.510 nan 8.190 nan 0.000 0.471 145 F N 1.789 121.400 119.950 -0.565 0.000 2.692 145 F HA 0.587 5.114 4.527 0.000 0.000 0.320 145 F C -0.039 175.633 175.800 -0.214 0.000 1.123 145 F CA -0.923 56.840 58.000 -0.395 0.000 0.961 145 F CB 1.273 40.026 39.000 -0.412 0.000 1.383 145 F HN 0.521 nan 8.300 nan 0.000 0.483 146 C N 2.899 122.356 119.300 0.262 0.000 2.355 146 C HA 0.809 5.269 4.460 -0.000 0.000 0.332 146 C C 0.073 175.297 174.990 0.391 0.000 1.255 146 C CA -0.671 58.516 59.018 0.281 0.000 1.792 146 C CB -0.122 27.718 27.740 0.167 0.000 2.300 146 C HN 0.734 nan 8.230 nan 0.000 0.515 147 V N 4.987 125.129 119.914 0.381 0.000 3.139 147 V HA 0.401 4.521 4.120 -0.000 0.000 0.307 147 V C 0.060 176.220 176.094 0.110 0.000 1.095 147 V CA 0.303 62.725 62.300 0.204 0.000 1.160 147 V CB 0.180 32.051 31.823 0.080 0.000 1.003 147 V HN 1.363 nan 8.190 nan 0.000 0.489 155 K N 2.706 123.165 120.400 0.098 0.000 2.110 155 K HA 0.541 4.861 4.320 -0.000 0.000 0.263 155 K C -2.233 174.438 176.600 0.119 0.000 0.975 155 K CA -1.542 54.773 56.287 0.047 0.000 0.895 155 K CB 1.427 33.879 32.500 -0.080 0.000 1.060 155 K HN 0.153 nan 8.250 nan 0.000 0.448 156 P HA 0.004 nan 4.420 nan 0.000 0.272 156 P C -0.675 176.692 177.300 0.112 0.000 1.240 156 P CA -0.392 62.753 63.100 0.075 0.000 0.791 156 P CB 0.658 32.376 31.700 0.031 0.000 0.978 157 A N 2.623 125.504 122.820 0.101 0.000 2.425 157 A HA 0.198 4.518 4.320 -0.000 0.000 0.249 157 A C 0.686 178.325 177.584 0.092 0.000 1.084 157 A CA -0.311 51.792 52.037 0.109 0.000 0.781 157 A CB -0.161 18.883 19.000 0.074 0.000 1.019 157 A HN 0.453 nan 8.150 nan 0.000 0.490 158 R N 0.758 121.328 120.500 0.116 0.000 2.615 158 R HA 0.464 4.804 4.340 -0.000 0.000 0.270 158 R C -0.679 175.677 176.300 0.094 0.000 1.081 158 R CA -0.308 55.858 56.100 0.111 0.000 1.154 158 R CB 0.485 30.866 30.300 0.135 0.000 1.063 158 R HN 0.662 nan 8.270 nan 0.000 0.519 159 L N 2.253 123.537 121.223 0.101 0.000 2.334 159 L HA 0.508 4.848 4.340 -0.000 0.000 0.275 159 L C -0.447 176.510 176.870 0.145 0.000 1.036 159 L CA -1.015 53.888 54.840 0.105 0.000 0.807 159 L CB 1.491 43.600 42.059 0.084 0.000 1.231 159 L HN 0.449 nan 8.230 nan 0.000 0.438 160 I N 2.588 123.260 120.570 0.168 0.000 2.466 160 I HA 0.462 4.631 4.170 -0.000 0.000 0.289 160 I C -0.973 175.314 176.117 0.283 0.000 1.026 160 I CA -0.369 61.066 61.300 0.225 0.000 1.078 160 I CB 1.897 40.027 38.000 0.217 0.000 1.249 160 I HN 0.160 nan 8.210 nan 0.000 0.429 161 V N 8.972 129.050 119.914 0.274 0.000 2.407 161 V HA 0.601 4.720 4.120 -0.000 0.000 0.291 161 V C -0.726 175.523 176.094 0.258 0.000 1.018 161 V CA -0.469 61.940 62.300 0.181 0.000 0.842 161 V CB 0.964 32.873 31.823 0.143 0.000 0.996 161 V HN 0.589 nan 8.190 nan 0.000 0.426 162 F N 5.019 125.011 119.950 0.070 0.000 2.601 162 F HA 0.948 5.474 4.527 -0.001 0.000 0.309 162 F C -3.013 172.822 175.800 0.058 0.000 1.089 162 F CA -2.825 55.217 58.000 0.069 0.000 0.940 162 F CB 1.675 40.711 39.000 0.060 0.000 1.273 162 F HN 0.282 nan 8.300 nan 0.000 0.450 163 P HA 0.179 nan 4.420 nan 0.000 0.282 163 P C -1.068 176.346 177.300 0.190 0.000 1.287 163 P CA -0.187 62.972 63.100 0.099 0.000 0.792 163 P CB 1.121 32.884 31.700 0.105 0.000 1.163 164 D N -0.910 119.585 120.400 0.157 0.000 2.400 164 D HA -0.050 4.590 4.640 -0.000 0.000 0.238 164 D C 1.361 177.788 176.300 0.211 0.000 1.157 164 D CA -0.282 53.835 54.000 0.195 0.000 0.889 164 D CB 0.265 41.226 40.800 0.269 0.000 1.199 164 D HN 0.106 nan 8.370 nan 0.000 0.436 165 L N 3.440 124.758 121.223 0.159 0.000 2.089 165 L HA -0.052 4.287 4.340 -0.000 0.000 0.213 165 L C 2.020 179.014 176.870 0.206 0.000 1.079 165 L CA 2.626 57.542 54.840 0.126 0.000 0.758 165 L CB -1.049 41.013 42.059 0.005 0.000 0.891 165 L HN 0.662 nan 8.230 nan 0.000 0.433 166 G N -1.322 107.671 108.800 0.322 0.000 2.418 166 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.217 166 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.217 166 G C 1.513 176.540 174.900 0.211 0.000 1.158 166 G CA 1.043 46.371 45.100 0.381 0.000 0.771 166 G HN 0.362 nan 8.290 nan 0.000 0.545 167 V N 0.745 120.774 119.914 0.191 0.000 2.427 167 V HA -0.152 3.967 4.120 -0.000 0.000 0.248 167 V C 2.908 179.087 176.094 0.140 0.000 1.051 167 V CA 1.821 64.203 62.300 0.137 0.000 1.048 167 V CB -0.459 31.433 31.823 0.114 0.000 0.666 167 V HN 0.327 nan 8.190 nan 0.000 0.456 168 R N -0.256 120.333 120.500 0.148 0.000 2.096 168 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 168 R C 2.241 178.600 176.300 0.097 0.000 1.127 168 R CA 1.413 57.590 56.100 0.129 0.000 0.968 168 R CB -0.615 29.752 30.300 0.112 0.000 0.861 168 R HN 0.420 nan 8.270 nan 0.000 0.440 169 V N 0.387 120.354 119.914 0.087 0.000 2.407 169 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 169 V C 2.436 178.558 176.094 0.046 0.000 1.055 169 V CA 1.488 63.809 62.300 0.036 0.000 1.049 169 V CB -0.403 31.437 31.823 0.028 0.000 0.662 169 V HN 0.452 nan 8.190 nan 0.000 0.455 170 C N -0.257 119.116 119.300 0.122 0.000 2.440 170 C HA -0.099 4.361 4.460 -0.000 0.000 0.278 170 C C 2.644 177.801 174.990 0.279 0.000 1.295 170 C CA 0.652 59.818 59.018 0.247 0.000 1.738 170 C CB -0.897 27.052 27.740 0.347 0.000 1.987 170 C HN 0.618 nan 8.230 nan 0.000 0.492 171 E N 0.987 121.308 120.200 0.201 0.000 2.058 171 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 171 E C 2.136 178.851 176.600 0.192 0.000 0.997 171 E CA 1.192 57.721 56.400 0.215 0.000 0.801 171 E CB -0.153 29.681 29.700 0.222 0.000 0.746 171 E HN 0.626 nan 8.360 nan 0.000 0.450 172 K N 0.497 120.977 120.400 0.135 0.000 2.020 172 K HA -0.178 4.142 4.320 -0.000 0.000 0.212 172 K C 2.260 178.918 176.600 0.097 0.000 1.050 172 K CA 1.758 58.108 56.287 0.105 0.000 0.929 172 K CB -0.217 32.261 32.500 -0.037 0.000 0.714 172 K HN 0.121 nan 8.250 nan 0.000 0.443 173 M N 0.257 119.868 119.600 0.018 0.000 2.082 173 M HA -0.228 4.252 4.480 -0.000 0.000 0.258 173 M C 2.439 178.773 176.300 0.057 0.000 1.069 173 M CA 1.988 57.241 55.300 -0.077 0.000 1.102 173 M CB -0.467 31.912 32.600 -0.369 0.000 1.336 173 M HN 0.272 nan 8.290 nan 0.000 0.404 174 A N -0.840 122.126 122.820 0.243 0.000 2.021 174 A HA 0.117 4.437 4.320 -0.000 0.000 0.216 174 A C 1.789 179.469 177.584 0.160 0.000 1.163 174 A CA 0.944 53.166 52.037 0.309 0.000 0.676 174 A CB -0.095 19.162 19.000 0.427 0.000 0.818 174 A HN 0.509 nan 8.150 nan 0.000 0.453 175 L N -3.166 118.137 121.223 0.133 0.000 3.174 175 L HA 0.191 4.531 4.340 -0.000 0.000 0.283 175 L C 1.746 178.648 176.870 0.053 0.000 1.187 175 L CA -0.029 54.831 54.840 0.034 0.000 1.018 175 L CB 0.012 42.051 42.059 -0.033 0.000 1.433 175 L HN 0.392 nan 8.230 nan 0.000 0.593 176 Y N 1.770 122.080 120.300 0.018 0.000 2.081 176 Y HA -0.361 4.189 4.550 -0.000 0.000 0.280 176 Y C 2.242 178.170 175.900 0.047 0.000 1.163 176 Y CA 2.393 60.517 58.100 0.040 0.000 1.135 176 Y CB 0.004 38.474 38.460 0.017 0.000 0.970 176 Y HN 0.239 nan 8.280 nan 0.000 0.498 177 D N -0.757 119.649 120.400 0.011 0.000 2.178 177 D HA -0.151 4.489 4.640 -0.000 0.000 0.201 177 D C 2.168 178.401 176.300 -0.112 0.000 0.980 177 D CA 1.249 55.208 54.000 -0.068 0.000 0.842 177 D CB -0.182 40.642 40.800 0.040 0.000 0.948 177 D HN 0.282 nan 8.370 nan 0.000 0.472 178 V N 0.383 120.240 119.914 -0.095 0.000 2.244 178 V HA -0.209 3.911 4.120 -0.000 0.000 0.244 178 V C 2.698 178.696 176.094 -0.160 0.000 1.042 178 V CA 1.787 64.018 62.300 -0.116 0.000 1.006 178 V CB -0.680 31.049 31.823 -0.156 0.000 0.641 178 V HN 0.327 nan 8.190 nan 0.000 0.446 179 V N -2.267 117.530 119.914 -0.195 0.000 3.078 179 V HA -0.109 4.011 4.120 -0.000 0.000 0.265 179 V C 1.974 177.927 176.094 -0.234 0.000 1.122 179 V CA 2.140 64.323 62.300 -0.196 0.000 1.141 179 V CB -0.456 31.270 31.823 -0.161 0.000 0.735 179 V HN 0.449 nan 8.190 nan 0.000 0.498 180 S N 0.766 116.317 115.700 -0.249 0.000 2.478 180 S HA 0.006 4.476 4.470 -0.000 0.000 0.222 180 S C 1.829 176.332 174.600 -0.162 0.000 1.008 180 S CA 1.267 59.334 58.200 -0.223 0.000 0.928 180 S CB 0.112 63.114 63.200 -0.330 0.000 0.781 180 S HN 0.963 nan 8.310 nan 0.000 0.518 181 T N -1.478 112.976 114.554 -0.167 0.000 2.980 181 T HA 0.245 4.595 4.350 -0.000 0.000 0.252 181 T C 1.523 176.117 174.700 -0.177 0.000 0.962 181 T CA -0.141 61.874 62.100 -0.142 0.000 0.932 181 T CB -0.433 68.380 68.868 -0.092 0.000 1.188 181 T HN 0.129 nan 8.240 nan 0.000 0.500 182 L N 2.827 123.945 121.223 -0.175 0.000 2.012 182 L HA 0.200 4.540 4.340 -0.000 0.000 0.210 182 L C -0.986 175.718 176.870 -0.277 0.000 1.073 182 L CA 1.973 56.715 54.840 -0.163 0.000 0.748 182 L CB -1.184 40.829 42.059 -0.076 0.000 0.891 182 L HN 0.098 nan 8.230 nan 0.000 0.431 183 P HA -0.244 nan 4.420 nan 0.000 0.215 183 P C 1.508 178.345 177.300 -0.772 0.000 1.163 183 P CA 1.524 64.158 63.100 -0.778 0.000 0.894 183 P CB -0.213 30.622 31.700 -1.442 0.000 0.791 184 Q N -0.087 119.290 119.800 -0.705 0.000 2.170 184 Q HA -0.120 4.220 4.340 -0.000 0.000 0.203 184 Q C 1.954 177.815 176.000 -0.232 0.000 0.976 184 Q CA 1.523 57.124 55.803 -0.337 0.000 0.858 184 Q CB -0.759 27.881 28.738 -0.163 0.000 0.907 184 Q HN 0.092 nan 8.270 nan 0.000 0.433 185 V N -0.222 119.562 119.914 -0.217 0.000 2.453 185 V HA -0.162 3.957 4.120 -0.000 0.000 0.247 185 V C 2.402 178.404 176.094 -0.153 0.000 1.048 185 V CA 1.134 63.346 62.300 -0.147 0.000 1.049 185 V CB -0.143 31.613 31.823 -0.112 0.000 0.672 185 V HN 0.110 nan 8.190 nan 0.000 0.457 186 V N -0.672 119.117 119.914 -0.209 0.000 2.407 186 V HA -0.108 4.012 4.120 -0.000 0.000 0.245 186 V C 1.990 177.913 176.094 -0.285 0.000 1.041 186 V CA 1.852 64.030 62.300 -0.204 0.000 1.040 186 V CB -0.289 31.407 31.823 -0.210 0.000 0.671 186 V HN 0.466 nan 8.190 nan 0.000 0.455 187 M N -1.046 118.309 119.600 -0.409 0.000 2.382 187 M HA 0.363 4.843 4.480 -0.000 0.000 0.247 187 M C 1.436 177.598 176.300 -0.231 0.000 1.104 187 M CA 0.727 55.697 55.300 -0.550 0.000 1.030 187 M CB 0.385 32.508 32.600 -0.794 0.000 1.424 187 M HN 0.438 nan 8.290 nan 0.000 0.486 188 G N 1.604 110.308 108.800 -0.159 0.000 2.611 188 G HA2 -0.393 3.566 3.960 -0.000 0.000 0.301 188 G HA3 -0.393 3.566 3.960 -0.000 0.000 0.301 188 G C 0.825 175.672 174.900 -0.088 0.000 1.233 188 G CA 0.804 45.853 45.100 -0.085 0.000 0.993 188 G HN 0.542 nan 8.290 nan 0.000 0.553 189 S N -0.566 115.104 115.700 -0.050 0.000 2.547 189 S HA 0.127 4.596 4.470 -0.000 0.000 0.235 189 S C 2.093 176.553 174.600 -0.233 0.000 0.980 189 S CA 1.828 59.947 58.200 -0.135 0.000 0.941 189 S CB -0.012 63.173 63.200 -0.025 0.000 0.763 189 S HN 1.010 nan 8.310 nan 0.000 0.532 190 S N 0.164 115.844 115.700 -0.034 0.000 2.527 190 S HA 0.156 4.625 4.470 -0.000 0.000 0.222 190 S C 0.125 174.720 174.600 -0.008 0.000 0.985 190 S CA -0.263 57.975 58.200 0.063 0.000 0.921 190 S CB -0.369 62.968 63.200 0.228 0.000 0.772 190 S HN 0.701 nan 8.310 nan 0.000 0.529 191 Y N 3.050 123.202 120.300 -0.246 0.000 2.539 191 Y HA 0.471 5.021 4.550 -0.001 0.000 0.352 191 Y C 1.263 176.941 175.900 -0.369 0.000 1.004 191 Y CA -1.441 56.488 58.100 -0.285 0.000 1.278 191 Y CB -0.002 38.289 38.460 -0.283 0.000 1.136 191 Y HN 0.071 nan 8.280 nan 0.000 0.528 192 G N 4.448 112.846 108.800 -0.669 0.000 2.443 192 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.219 192 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.219 192 G C 1.090 175.500 174.900 -0.817 0.000 1.131 192 G CA 0.236 44.963 45.100 -0.621 0.000 0.775 192 G HN 0.648 nan 8.290 nan 0.000 0.547 193 F N 1.412 120.706 119.950 -1.094 0.000 2.641 193 F HA -0.002 4.525 4.527 -0.000 0.000 0.298 193 F C 2.832 178.396 175.800 -0.394 0.000 1.146 193 F CA 0.996 58.441 58.000 -0.926 0.000 1.464 193 F CB -0.147 38.270 39.000 -0.972 0.000 1.101 193 F HN 0.405 nan 8.300 nan 0.000 0.585 194 Q N -0.895 118.674 119.800 -0.385 0.000 2.432 194 Q HA -0.055 4.285 4.340 -0.000 0.000 0.205 194 Q C -0.504 175.375 176.000 -0.202 0.000 0.945 194 Q CA 0.661 56.334 55.803 -0.217 0.000 0.924 194 Q CB -0.264 28.249 28.738 -0.375 0.000 1.016 194 Q HN 0.291 nan 8.270 nan 0.000 0.503 195 Y N 1.758 122.055 120.300 -0.005 0.000 2.361 195 Y HA 0.342 4.892 4.550 -0.000 0.000 0.332 195 Y C 0.679 176.452 175.900 -0.211 0.000 1.101 195 Y CA -1.207 56.845 58.100 -0.080 0.000 1.137 195 Y CB 1.434 39.812 38.460 -0.137 0.000 1.207 195 Y HN 0.095 nan 8.280 nan 0.000 0.463 196 S N 1.842 117.328 115.700 -0.356 0.000 2.661 196 S HA 0.295 4.765 4.470 -0.000 0.000 0.265 196 S C -2.045 172.241 174.600 -0.523 0.000 1.225 196 S CA -1.074 56.438 58.200 -1.147 0.000 0.986 196 S CB 1.176 63.804 63.200 -0.953 0.000 1.008 196 S HN 0.409 nan 8.310 nan 0.000 0.565 197 P HA 0.007 nan 4.420 nan 0.000 0.215 197 P C 1.709 178.950 177.300 -0.098 0.000 1.157 197 P CA 1.710 64.700 63.100 -0.182 0.000 0.868 197 P CB -0.527 31.126 31.700 -0.078 0.000 0.788 198 G N -0.475 108.246 108.800 -0.132 0.000 2.422 198 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 198 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 198 G C 1.473 176.324 174.900 -0.081 0.000 1.140 198 G CA 0.461 45.530 45.100 -0.052 0.000 0.775 198 G HN 0.321 nan 8.290 nan 0.000 0.545 199 Q N -0.523 119.204 119.800 -0.121 0.000 2.230 199 Q HA 0.036 4.376 4.340 -0.000 0.000 0.202 199 Q C 2.539 178.382 176.000 -0.261 0.000 0.963 199 Q CA 0.666 56.403 55.803 -0.111 0.000 0.866 199 Q CB -0.070 28.682 28.738 0.024 0.000 0.931 199 Q HN 0.451 nan 8.270 nan 0.000 0.452 200 R N 0.450 120.842 120.500 -0.180 0.000 2.073 200 R HA -0.086 4.253 4.340 -0.000 0.000 0.229 200 R C 2.029 178.249 176.300 -0.133 0.000 1.120 200 R CA 0.886 56.870 56.100 -0.194 0.000 0.967 200 R CB 0.028 30.306 30.300 -0.036 0.000 0.862 200 R HN 0.082 nan 8.270 nan 0.000 0.436 201 V N 1.539 121.398 119.914 -0.092 0.000 2.343 201 V HA -0.231 3.888 4.120 -0.000 0.000 0.247 201 V C 2.367 178.385 176.094 -0.127 0.000 1.051 201 V CA 2.207 64.454 62.300 -0.088 0.000 1.036 201 V CB -0.572 31.239 31.823 -0.021 0.000 0.654 201 V HN 0.492 nan 8.190 nan 0.000 0.451 202 E N -0.212 119.927 120.200 -0.102 0.000 2.058 202 E HA -0.301 4.049 4.350 -0.000 0.000 0.194 202 E C 2.134 178.665 176.600 -0.115 0.000 0.997 202 E CA 1.920 58.263 56.400 -0.096 0.000 0.801 202 E CB -0.260 29.402 29.700 -0.063 0.000 0.746 202 E HN 0.534 nan 8.360 nan 0.000 0.450 203 F N 1.139 120.892 119.950 -0.327 0.000 2.134 203 F HA -0.110 4.417 4.527 -0.000 0.000 0.299 203 F C 1.909 177.580 175.800 -0.216 0.000 1.097 203 F CA 1.220 59.018 58.000 -0.336 0.000 1.264 203 F CB -0.182 38.432 39.000 -0.643 0.000 1.001 203 F HN 0.018 nan 8.300 nan 0.000 0.479 204 L N -0.948 120.102 121.223 -0.288 0.000 2.027 204 L HA -0.200 4.140 4.340 -0.000 0.000 0.206 204 L C 2.388 179.093 176.870 -0.276 0.000 1.074 204 L CA 1.002 55.655 54.840 -0.313 0.000 0.745 204 L CB -0.811 41.126 42.059 -0.202 0.000 0.898 204 L HN -0.021 nan 8.230 nan 0.000 0.433 205 V N 0.147 119.885 119.914 -0.294 0.000 2.261 205 V HA -0.280 3.839 4.120 -0.000 0.000 0.246 205 V C 2.228 178.211 176.094 -0.185 0.000 1.047 205 V CA 1.951 64.060 62.300 -0.319 0.000 1.015 205 V CB -0.709 30.785 31.823 -0.547 0.000 0.642 205 V HN 0.476 nan 8.190 nan 0.000 0.446 206 N N 0.148 118.732 118.700 -0.194 0.000 2.104 206 N HA -0.152 4.588 4.740 -0.000 0.000 0.190 206 N C 1.903 177.313 175.510 -0.166 0.000 1.024 206 N CA 2.014 54.978 53.050 -0.142 0.000 0.853 206 N CB -0.793 37.629 38.487 -0.110 0.000 1.008 206 N HN 0.467 nan 8.380 nan 0.000 0.424 207 T N 0.473 114.847 114.554 -0.299 0.000 2.746 207 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 207 T C 1.484 176.102 174.700 -0.137 0.000 1.039 207 T CA 0.751 62.664 62.100 -0.312 0.000 1.142 207 T CB -0.270 68.248 68.868 -0.584 0.000 0.866 207 T HN 0.439 nan 8.240 nan 0.000 0.444 208 W N 2.179 123.318 121.300 -0.268 0.000 2.358 208 W HA -0.091 4.568 4.660 -0.002 0.000 0.303 208 W C 1.659 178.093 176.519 -0.141 0.000 1.208 208 W CA 1.141 58.372 57.345 -0.190 0.000 1.274 208 W CB -0.142 29.199 29.460 -0.198 0.000 1.138 208 W HN 0.258 nan 8.180 nan 0.000 0.515 209 K N 0.242 120.651 120.400 0.014 0.000 2.432 209 K HA -0.099 4.221 4.320 -0.000 0.000 0.196 209 K C 2.138 178.680 176.600 -0.097 0.000 1.038 209 K CA 1.269 57.531 56.287 -0.042 0.000 0.986 209 K CB -0.161 32.338 32.500 -0.002 0.000 0.782 209 K HN 0.027 nan 8.250 nan 0.000 0.485 210 S N 0.445 116.075 115.700 -0.115 0.000 2.522 210 S HA 0.002 4.471 4.470 -0.000 0.000 0.227 210 S C 0.435 174.959 174.600 -0.127 0.000 0.986 210 S CA 0.328 58.465 58.200 -0.104 0.000 0.929 210 S CB 0.062 63.204 63.200 -0.098 0.000 0.769 210 S HN -0.044 nan 8.310 nan 0.000 0.529 211 K N 1.663 121.946 120.400 -0.195 0.000 2.156 211 K HA 0.452 4.772 4.320 -0.000 0.000 0.271 211 K C 0.704 177.184 176.600 -0.200 0.000 0.995 211 K CA -0.422 55.737 56.287 -0.213 0.000 0.890 211 K CB 1.164 33.478 32.500 -0.309 0.000 1.073 211 K HN 0.045 nan 8.250 nan 0.000 0.454 212 K N 1.028 121.342 120.400 -0.143 0.000 2.025 212 K HA -0.015 4.305 4.320 -0.000 0.000 0.207 212 K C -0.049 176.471 176.600 -0.133 0.000 1.049 212 K CA 1.064 57.284 56.287 -0.112 0.000 0.933 212 K CB 0.136 32.589 32.500 -0.078 0.000 0.714 212 K HN 0.412 nan 8.250 nan 0.000 0.438 213 N N 1.347 119.957 118.700 -0.149 0.000 2.841 213 N HA 0.189 4.928 4.740 -0.000 0.000 0.257 213 N C -2.802 172.578 175.510 -0.217 0.000 1.396 213 N CA -1.204 51.758 53.050 -0.146 0.000 0.823 213 N CB 1.334 39.769 38.487 -0.086 0.000 1.162 213 N HN 0.077 nan 8.380 nan 0.000 0.503 214 P HA 0.045 nan 4.420 nan 0.000 0.266 214 P C -0.164 176.787 177.300 -0.581 0.000 1.195 214 P CA -0.034 62.607 63.100 -0.765 0.000 0.768 214 P CB 1.160 31.865 31.700 -1.660 0.000 0.838 215 M N 1.973 121.310 119.600 -0.439 0.000 2.413 215 M HA 0.629 5.109 4.480 -0.000 0.000 0.287 215 M C -1.440 174.846 176.300 -0.023 0.000 1.186 215 M CA -0.266 54.936 55.300 -0.164 0.000 0.927 215 M CB 2.449 35.025 32.600 -0.039 0.000 1.715 215 M HN 0.617 nan 8.290 nan 0.000 0.478 216 G N 3.307 112.182 108.800 0.124 0.000 2.704 216 G HA2 0.814 4.774 3.960 -0.000 0.000 0.293 216 G HA3 0.814 4.774 3.960 -0.000 0.000 0.293 216 G C -2.078 172.937 174.900 0.192 0.000 1.421 216 G CA -0.599 44.607 45.100 0.175 0.000 0.870 216 G HN 0.869 nan 8.290 nan 0.000 0.492 217 F N -0.672 119.240 119.950 -0.063 0.000 2.686 217 F HA 0.840 5.368 4.527 0.002 0.000 0.311 217 F C -0.363 175.422 175.800 -0.025 0.000 1.128 217 F CA -1.516 56.447 58.000 -0.062 0.000 0.946 217 F CB 1.515 40.467 39.000 -0.081 0.000 1.336 217 F HN 0.673 nan 8.300 nan 0.000 0.457 218 S N 0.833 116.583 115.700 0.083 0.000 2.472 218 S HA 0.616 5.086 4.470 -0.000 0.000 0.303 218 S C -1.696 173.038 174.600 0.224 0.000 1.099 218 S CA -0.560 57.651 58.200 0.019 0.000 1.077 218 S CB 1.475 64.685 63.200 0.016 0.000 1.031 218 S HN 0.843 nan 8.310 nan 0.000 0.487 219 Y N 2.111 122.468 120.300 0.096 0.000 2.356 219 Y HA 0.454 5.004 4.550 -0.001 0.000 0.334 219 Y C -0.728 175.280 175.900 0.181 0.000 0.958 219 Y CA -0.826 57.422 58.100 0.247 0.000 1.196 219 Y CB 1.113 39.818 38.460 0.408 0.000 1.137 219 Y HN 0.867 nan 8.280 nan 0.000 0.485 220 D N 4.341 124.588 120.400 -0.255 0.000 2.373 220 D HA 0.219 4.858 4.640 -0.000 0.000 0.227 220 D C -0.776 175.369 176.300 -0.259 0.000 1.091 220 D CA -0.151 53.758 54.000 -0.152 0.000 0.840 220 D CB 0.955 41.705 40.800 -0.083 0.000 1.060 220 D HN 0.452 nan 8.370 nan 0.000 0.502 221 T N 3.898 118.457 114.554 0.009 0.000 2.832 221 T HA 0.138 4.487 4.350 -0.000 0.000 0.296 221 T C 0.458 175.241 174.700 0.139 0.000 0.968 221 T CA -0.535 61.652 62.100 0.144 0.000 1.107 221 T CB 0.705 69.877 68.868 0.506 0.000 0.916 221 T HN 0.314 nan 8.240 nan 0.000 0.517 222 R N 2.505 123.050 120.500 0.076 0.000 2.446 222 R HA 0.060 4.400 4.340 -0.000 0.000 0.325 222 R C 0.206 176.610 176.300 0.173 0.000 0.997 222 R CA -0.157 55.987 56.100 0.073 0.000 1.010 222 R CB -0.761 29.532 30.300 -0.013 0.000 0.946 222 R HN 0.936 nan 8.270 nan 0.000 0.422 223 C N 6.617 126.043 119.300 0.211 0.000 2.865 223 C HA -0.194 4.265 4.460 -0.000 0.000 0.254 223 C C 1.264 176.458 174.990 0.339 0.000 1.239 223 C CA 0.190 59.379 59.018 0.286 0.000 2.512 223 C CB -2.339 25.604 27.740 0.338 0.000 1.556 223 C HN 1.048 nan 8.230 nan 0.000 0.433 224 F N 1.920 121.986 119.950 0.193 0.000 2.154 224 F HA -0.114 4.412 4.527 -0.001 0.000 0.301 224 F C 1.775 177.688 175.800 0.188 0.000 1.087 224 F CA 2.499 60.614 58.000 0.193 0.000 1.274 224 F CB -0.052 39.050 39.000 0.170 0.000 1.009 224 F HN 0.600 nan 8.300 nan 0.000 0.485 225 D N -0.519 120.112 120.400 0.385 0.000 2.144 225 D HA -0.151 4.489 4.640 -0.000 0.000 0.199 225 D C 2.438 178.806 176.300 0.113 0.000 0.984 225 D CA 1.609 55.767 54.000 0.264 0.000 0.834 225 D CB -0.457 40.508 40.800 0.276 0.000 0.955 225 D HN 0.245 nan 8.370 nan 0.000 0.465 226 S N -0.481 115.310 115.700 0.152 0.000 2.453 226 S HA -0.091 4.379 4.470 -0.000 0.000 0.231 226 S C 1.978 176.560 174.600 -0.030 0.000 1.005 226 S CA 1.282 59.490 58.200 0.013 0.000 0.949 226 S CB -0.159 63.058 63.200 0.029 0.000 0.774 226 S HN 0.505 nan 8.310 nan 0.000 0.510 227 T N -0.489 114.108 114.554 0.072 0.000 3.113 227 T HA 0.154 4.504 4.350 -0.000 0.000 0.256 227 T C 0.513 175.140 174.700 -0.121 0.000 1.131 227 T CA -0.038 62.089 62.100 0.045 0.000 1.074 227 T CB -0.347 68.513 68.868 -0.013 0.000 0.944 227 T HN 0.018 nan 8.240 nan 0.000 0.516 228 V N 3.927 123.738 119.914 -0.171 0.000 2.470 228 V HA 0.368 4.487 4.120 -0.000 0.000 0.276 228 V C 1.089 177.137 176.094 -0.077 0.000 1.040 228 V CA -0.397 61.822 62.300 -0.136 0.000 1.008 228 V CB 0.364 32.142 31.823 -0.074 0.000 0.990 228 V HN 0.706 nan 8.190 nan 0.000 0.477 229 T N 0.759 115.282 114.554 -0.051 0.000 2.897 229 T HA 0.318 4.667 4.350 -0.000 0.000 0.278 229 T C 1.025 175.718 174.700 -0.011 0.000 0.981 229 T CA -0.367 61.714 62.100 -0.032 0.000 0.973 229 T CB 1.505 70.354 68.868 -0.031 0.000 1.092 229 T HN 0.675 nan 8.240 nan 0.000 0.543 230 E N 0.323 120.526 120.200 0.004 0.000 2.110 230 E HA -0.257 4.093 4.350 -0.000 0.000 0.193 230 E C 1.913 178.526 176.600 0.021 0.000 0.988 230 E CA 1.522 57.934 56.400 0.020 0.000 0.804 230 E CB -0.218 29.501 29.700 0.031 0.000 0.745 230 E HN 0.760 nan 8.360 nan 0.000 0.458 231 N N 0.808 119.513 118.700 0.009 0.000 2.069 231 N HA -0.206 4.534 4.740 -0.000 0.000 0.191 231 N C 1.441 176.966 175.510 0.025 0.000 1.031 231 N CA 2.195 55.248 53.050 0.006 0.000 0.852 231 N CB -0.126 38.344 38.487 -0.028 0.000 1.018 231 N HN 0.120 nan 8.380 nan 0.000 0.423 232 D N 0.103 120.517 120.400 0.025 0.000 2.123 232 D HA -0.127 4.513 4.640 -0.000 0.000 0.196 232 D C 1.981 178.298 176.300 0.029 0.000 0.992 232 D CA 1.009 55.036 54.000 0.045 0.000 0.833 232 D CB -0.283 40.539 40.800 0.037 0.000 0.954 232 D HN 0.482 nan 8.370 nan 0.000 0.455 233 I N 0.495 121.085 120.570 0.033 0.000 2.315 233 I HA -0.183 3.986 4.170 -0.000 0.000 0.248 233 I C 2.448 178.588 176.117 0.038 0.000 1.117 233 I CA 0.863 62.191 61.300 0.048 0.000 1.404 233 I CB -0.085 37.964 38.000 0.082 0.000 1.071 233 I HN -0.107 nan 8.210 nan 0.000 0.419 234 R N 0.042 120.561 120.500 0.032 0.000 2.115 234 R HA -0.049 4.290 4.340 -0.000 0.000 0.226 234 R C 2.321 178.613 176.300 -0.014 0.000 1.100 234 R CA 0.829 56.943 56.100 0.023 0.000 0.980 234 R CB -0.261 30.055 30.300 0.026 0.000 0.875 234 R HN 0.188 nan 8.270 nan 0.000 0.445 235 V N 1.439 121.345 119.914 -0.013 0.000 2.407 235 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 235 V C 1.889 177.899 176.094 -0.139 0.000 1.055 235 V CA 1.791 64.069 62.300 -0.037 0.000 1.049 235 V CB -0.352 31.486 31.823 0.024 0.000 0.662 235 V HN 0.339 nan 8.190 nan 0.000 0.455 236 E N -0.378 119.714 120.200 -0.180 0.000 2.077 236 E HA -0.255 4.094 4.350 -0.000 0.000 0.193 236 E C 2.316 178.453 176.600 -0.772 0.000 0.989 236 E CA 1.330 57.471 56.400 -0.432 0.000 0.800 236 E CB -0.125 29.393 29.700 -0.304 0.000 0.746 236 E HN 0.621 nan 8.360 nan 0.000 0.452 237 E N 0.562 120.560 120.200 -0.338 0.000 2.077 237 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 237 E C 2.172 178.707 176.600 -0.109 0.000 0.989 237 E CA 1.463 57.793 56.400 -0.117 0.000 0.800 237 E CB 0.025 29.777 29.700 0.088 0.000 0.746 237 E HN 0.224 nan 8.360 nan 0.000 0.452 238 S N 0.466 116.103 115.700 -0.106 0.000 2.400 238 S HA -0.166 4.304 4.470 -0.000 0.000 0.232 238 S C 2.059 176.608 174.600 -0.084 0.000 1.025 238 S CA 1.093 59.256 58.200 -0.062 0.000 0.993 238 S CB -0.552 62.619 63.200 -0.049 0.000 0.808 238 S HN 0.295 nan 8.310 nan 0.000 0.478 239 I N 0.009 120.467 120.570 -0.186 0.000 2.286 239 I HA -0.112 4.057 4.170 -0.000 0.000 0.245 239 I C 2.350 178.433 176.117 -0.057 0.000 1.104 239 I CA 1.248 62.453 61.300 -0.159 0.000 1.397 239 I CB -0.484 37.372 38.000 -0.240 0.000 1.072 239 I HN 0.221 nan 8.210 nan 0.000 0.417 240 Y N 1.136 121.431 120.300 -0.008 0.000 2.128 240 Y HA -0.245 4.305 4.550 -0.000 0.000 0.284 240 Y C 2.666 178.570 175.900 0.006 0.000 1.154 240 Y CA 0.759 58.858 58.100 -0.002 0.000 1.149 240 Y CB -1.145 37.326 38.460 0.019 0.000 0.976 240 Y HN 0.220 nan 8.280 nan 0.000 0.505 241 Q N -1.100 118.798 119.800 0.163 0.000 2.439 241 Q HA -0.144 4.196 4.340 -0.000 0.000 0.211 241 Q C 2.293 178.328 176.000 0.058 0.000 0.978 241 Q CA 0.993 56.854 55.803 0.097 0.000 0.897 241 Q CB -0.834 27.945 28.738 0.069 0.000 0.956 241 Q HN 0.526 nan 8.270 nan 0.000 0.483 242 C N 0.024 119.351 119.300 0.044 0.000 2.448 242 C HA -0.021 4.439 4.460 -0.000 0.000 0.280 242 C C 1.612 176.618 174.990 0.027 0.000 1.398 242 C CA -0.699 58.332 59.018 0.022 0.000 1.774 242 C CB -0.627 27.115 27.740 0.003 0.000 1.888 242 C HN 0.424 nan 8.230 nan 0.000 0.519 243 C N 1.733 121.060 119.300 0.044 0.000 2.705 243 C HA 0.145 4.605 4.460 -0.000 0.000 0.382 243 C C 0.524 175.533 174.990 0.032 0.000 1.322 243 C CA -0.166 58.873 59.018 0.035 0.000 2.290 243 C CB -0.191 27.576 27.740 0.045 0.000 2.650 243 C HN 0.505 nan 8.230 nan 0.000 0.695 244 D N 1.508 121.922 120.400 0.024 0.000 2.365 244 D HA 0.500 5.140 4.640 -0.000 0.000 0.237 244 D C -0.681 175.637 176.300 0.030 0.000 1.190 244 D CA 0.234 54.248 54.000 0.023 0.000 0.867 244 D CB -0.057 40.753 40.800 0.016 0.000 1.050 244 D HN 0.387 nan 8.370 nan 0.000 0.491 245 L N 1.962 123.208 121.223 0.038 0.000 2.333 245 L HA 0.711 5.051 4.340 -0.000 0.000 0.263 245 L C 0.386 177.286 176.870 0.049 0.000 1.014 245 L CA -1.454 53.415 54.840 0.047 0.000 0.820 245 L CB 1.784 43.878 42.059 0.059 0.000 1.352 245 L HN 0.321 nan 8.230 nan 0.000 0.421 246 A N 1.423 124.279 122.820 0.059 0.000 2.386 246 A HA 0.426 4.746 4.320 -0.000 0.000 0.248 246 A C -1.852 175.773 177.584 0.069 0.000 1.082 246 A CA -0.934 51.141 52.037 0.062 0.000 0.789 246 A CB -0.044 18.999 19.000 0.073 0.000 1.025 246 A HN 0.636 nan 8.150 nan 0.000 0.490 247 P HA -0.203 nan 4.420 nan 0.000 0.216 247 P C 1.301 178.637 177.300 0.060 0.000 1.153 247 P CA 1.775 64.905 63.100 0.050 0.000 0.858 247 P CB 0.205 31.929 31.700 0.040 0.000 0.789 248 E N -0.749 119.509 120.200 0.097 0.000 2.153 248 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 248 E C 1.866 178.558 176.600 0.153 0.000 0.988 248 E CA 1.107 57.589 56.400 0.136 0.000 0.811 248 E CB -0.430 29.424 29.700 0.257 0.000 0.746 248 E HN 0.101 nan 8.360 nan 0.000 0.466 249 A N 0.811 123.736 122.820 0.175 0.000 1.929 249 A HA -0.087 4.232 4.320 -0.000 0.000 0.216 249 A C 2.062 179.699 177.584 0.088 0.000 1.176 249 A CA 0.909 53.053 52.037 0.180 0.000 0.628 249 A CB -0.239 18.859 19.000 0.162 0.000 0.816 249 A HN 0.129 nan 8.150 nan 0.000 0.444 250 R N -0.925 119.613 120.500 0.064 0.000 2.081 250 R HA -0.172 4.168 4.340 -0.000 0.000 0.235 250 R C 2.474 178.781 176.300 0.012 0.000 1.131 250 R CA 1.688 57.815 56.100 0.046 0.000 0.960 250 R CB -0.269 30.055 30.300 0.040 0.000 0.856 250 R HN 0.628 nan 8.270 nan 0.000 0.436 251 Q N 0.747 120.534 119.800 -0.021 0.000 2.084 251 Q HA -0.087 4.253 4.340 -0.000 0.000 0.202 251 Q C 1.925 177.843 176.000 -0.137 0.000 0.978 251 Q CA 2.005 57.765 55.803 -0.073 0.000 0.844 251 Q CB -0.204 28.478 28.738 -0.092 0.000 0.898 251 Q HN 0.331 nan 8.270 nan 0.000 0.426 252 A N 0.111 122.810 122.820 -0.201 0.000 1.930 252 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 252 A C 2.111 179.617 177.584 -0.130 0.000 1.175 252 A CA 1.403 53.248 52.037 -0.320 0.000 0.627 252 A CB -0.671 17.996 19.000 -0.555 0.000 0.815 252 A HN 0.490 nan 8.150 nan 0.000 0.443 253 I N -0.624 119.936 120.570 -0.015 0.000 2.394 253 I HA -0.219 3.951 4.170 -0.000 0.000 0.251 253 I C 2.526 178.688 176.117 0.075 0.000 1.136 253 I CA 1.618 62.962 61.300 0.073 0.000 1.425 253 I CB -0.202 37.868 38.000 0.117 0.000 1.079 253 I HN 0.399 nan 8.210 nan 0.000 0.425 254 K N 0.585 121.001 120.400 0.026 0.000 2.025 254 K HA -0.181 4.139 4.320 -0.000 0.000 0.207 254 K C 2.356 178.942 176.600 -0.023 0.000 1.049 254 K CA 1.663 57.963 56.287 0.021 0.000 0.933 254 K CB -0.064 32.437 32.500 0.001 0.000 0.714 254 K HN 0.076 nan 8.250 nan 0.000 0.438 255 S N 0.951 116.603 115.700 -0.080 0.000 2.353 255 S HA -0.103 4.367 4.470 -0.000 0.000 0.222 255 S C 1.998 176.504 174.600 -0.156 0.000 1.035 255 S CA 1.230 59.358 58.200 -0.120 0.000 1.025 255 S CB -0.296 62.799 63.200 -0.175 0.000 0.902 255 S HN 0.350 nan 8.310 nan 0.000 0.440 256 L N 0.667 121.768 121.223 -0.203 0.000 2.079 256 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 256 L C 2.725 179.284 176.870 -0.519 0.000 1.081 256 L CA 1.542 56.135 54.840 -0.411 0.000 0.752 256 L CB -0.952 40.835 42.059 -0.454 0.000 0.896 256 L HN 0.355 nan 8.230 nan 0.000 0.433 257 T N -1.021 113.450 114.554 -0.138 0.000 2.737 257 T HA -0.138 4.212 4.350 -0.000 0.000 0.265 257 T C 1.783 176.495 174.700 0.020 0.000 1.038 257 T CA 1.153 63.313 62.100 0.100 0.000 1.144 257 T CB -0.066 68.935 68.868 0.222 0.000 0.866 257 T HN 0.318 nan 8.240 nan 0.000 0.434 258 E N 1.196 121.386 120.200 -0.018 0.000 2.072 258 E HA -0.031 4.318 4.350 -0.000 0.000 0.191 258 E C 2.366 178.945 176.600 -0.035 0.000 0.985 258 E CA 0.916 57.308 56.400 -0.014 0.000 0.801 258 E CB -0.139 29.549 29.700 -0.019 0.000 0.750 258 E HN 0.482 nan 8.360 nan 0.000 0.452 259 R N -0.383 120.066 120.500 -0.085 0.000 2.173 259 R HA 0.091 4.431 4.340 -0.000 0.000 0.208 259 R C 1.951 178.185 176.300 -0.110 0.000 1.035 259 R CA 0.404 56.453 56.100 -0.085 0.000 1.004 259 R CB 0.172 30.413 30.300 -0.099 0.000 0.917 259 R HN 0.050 nan 8.270 nan 0.000 0.462 260 L N -1.930 119.178 121.223 -0.190 0.000 2.666 260 L HA 0.183 4.523 4.340 -0.000 0.000 0.184 260 L C 1.418 178.260 176.870 -0.047 0.000 1.092 260 L CA 0.795 55.523 54.840 -0.187 0.000 0.857 260 L CB -0.345 41.513 42.059 -0.336 0.000 1.281 260 L HN -0.133 nan 8.230 nan 0.000 0.489 261 Y N 0.593 120.909 120.300 0.026 0.000 2.165 261 Y HA -0.124 4.426 4.550 -0.000 0.000 0.286 261 Y C 2.600 178.509 175.900 0.015 0.000 1.155 261 Y CA 1.574 59.698 58.100 0.040 0.000 1.164 261 Y CB -1.010 37.498 38.460 0.080 0.000 0.978 261 Y HN 0.134 nan 8.280 nan 0.000 0.513 262 I N -1.044 119.616 120.570 0.151 0.000 2.394 262 I HA -0.050 4.120 4.170 -0.000 0.000 0.251 262 I C 1.223 177.349 176.117 0.016 0.000 1.136 262 I CA 1.287 62.633 61.300 0.077 0.000 1.425 262 I CB -0.446 37.591 38.000 0.062 0.000 1.079 262 I HN 0.321 nan 8.210 nan 0.000 0.425 263 G N -0.902 107.885 108.800 -0.022 0.000 2.324 263 G HA2 0.471 4.431 3.960 -0.000 0.000 0.293 263 G HA3 0.471 4.431 3.960 -0.000 0.000 0.293 263 G C -0.961 173.781 174.900 -0.262 0.000 1.297 263 G CA -0.178 44.836 45.100 -0.144 0.000 0.853 263 G HN 0.417 nan 8.290 nan 0.000 0.535 264 G N -1.001 107.358 108.800 -0.735 0.000 2.320 264 G HA2 0.691 4.651 3.960 -0.000 0.000 0.297 264 G HA3 0.691 4.651 3.960 -0.000 0.000 0.297 264 G C -3.448 170.742 174.900 -1.184 0.000 1.344 264 G CA 0.163 44.768 45.100 -0.825 0.000 0.851 264 G HN 0.826 nan 8.290 nan 0.000 0.567 265 P HA 0.430 nan 4.420 nan 0.000 0.271 265 P C -0.543 176.668 177.300 -0.149 0.000 1.218 265 P CA -0.108 62.892 63.100 -0.167 0.000 0.780 265 P CB 1.196 32.936 31.700 0.066 0.000 0.901 266 L N 2.330 123.511 121.223 -0.070 0.000 2.305 266 L HA 0.445 4.785 4.340 -0.000 0.000 0.284 266 L C 0.410 177.282 176.870 0.004 0.000 1.013 266 L CA -0.237 54.582 54.840 -0.035 0.000 0.819 266 L CB 1.676 43.742 42.059 0.011 0.000 1.227 266 L HN 0.290 nan 8.230 nan 0.000 0.417 267 T N 1.317 115.853 114.554 -0.031 0.000 2.841 267 T HA 0.353 4.702 4.350 -0.000 0.000 0.283 267 T C -0.248 174.431 174.700 -0.036 0.000 1.000 267 T CA -0.856 61.230 62.100 -0.025 0.000 0.977 267 T CB 1.590 70.430 68.868 -0.047 0.000 0.979 267 T HN 0.631 nan 8.240 nan 0.000 0.446 268 N N 0.480 119.176 118.700 -0.007 0.000 2.413 268 N HA 0.155 4.895 4.740 -0.000 0.000 0.266 268 N C 1.338 176.836 175.510 -0.021 0.000 1.238 268 N CA -0.523 52.524 53.050 -0.006 0.000 0.972 268 N CB 0.155 38.651 38.487 0.015 0.000 1.210 268 N HN 0.463 nan 8.380 nan 0.000 0.547 269 S N -1.480 114.216 115.700 -0.005 0.000 2.537 269 S HA -0.096 4.374 4.470 -0.000 0.000 0.240 269 S C 0.830 175.424 174.600 -0.010 0.000 0.981 269 S CA 0.659 58.857 58.200 -0.003 0.000 0.948 269 S CB -0.483 62.730 63.200 0.021 0.000 0.759 269 S HN 0.628 nan 8.310 nan 0.000 0.531 270 K N 0.280 120.675 120.400 -0.008 0.000 2.358 270 K HA 0.304 4.624 4.320 -0.000 0.000 0.197 270 K C 1.239 177.830 176.600 -0.014 0.000 1.025 270 K CA 0.342 56.624 56.287 -0.008 0.000 1.104 270 K CB 0.175 32.674 32.500 -0.001 0.000 0.855 270 K HN 0.495 nan 8.250 nan 0.000 0.531 271 G N 1.662 110.450 108.800 -0.021 0.000 2.176 271 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.253 271 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.253 271 G C -0.129 174.766 174.900 -0.008 0.000 0.979 271 G CA -0.039 45.046 45.100 -0.024 0.000 0.641 271 G HN 0.344 nan 8.290 nan 0.000 0.530 272 Q N 0.181 119.982 119.800 0.002 0.000 2.259 272 Q HA 0.314 4.654 4.340 -0.000 0.000 0.246 272 Q C 0.399 176.416 176.000 0.027 0.000 0.920 272 Q CA -0.481 55.332 55.803 0.016 0.000 0.895 272 Q CB 0.890 29.640 28.738 0.021 0.000 1.220 272 Q HN 0.422 nan 8.270 nan 0.000 0.439 273 N N 1.455 120.178 118.700 0.038 0.000 2.420 273 N HA 0.014 4.754 4.740 -0.000 0.000 0.262 273 N C -0.212 175.349 175.510 0.084 0.000 1.144 273 N CA -0.405 52.678 53.050 0.055 0.000 0.952 273 N CB 0.541 39.062 38.487 0.056 0.000 1.081 273 N HN 0.583 nan 8.380 nan 0.000 0.480 274 C N 2.881 122.247 119.300 0.111 0.000 2.674 274 C HA 0.422 4.881 4.460 -0.000 0.000 0.276 274 C C 1.198 176.353 174.990 0.275 0.000 1.300 274 C CA 0.444 59.580 59.018 0.197 0.000 1.732 274 C CB -0.872 27.008 27.740 0.232 0.000 2.076 274 C HN 0.953 nan 8.230 nan 0.000 0.548 275 G N -1.509 107.378 108.800 0.145 0.000 2.368 275 G HA2 0.343 4.302 3.960 -0.000 0.000 0.269 275 G HA3 0.343 4.302 3.960 -0.000 0.000 0.269 275 G C -2.253 172.664 174.900 0.027 0.000 1.291 275 G CA -0.376 44.751 45.100 0.044 0.000 0.903 275 G HN -0.003 nan 8.290 nan 0.000 0.483 276 Y N 0.645 120.810 120.300 -0.226 0.000 2.457 276 Y HA 0.752 5.301 4.550 -0.001 0.000 0.343 276 Y C 0.086 175.863 175.900 -0.205 0.000 0.994 276 Y CA -0.862 57.139 58.100 -0.165 0.000 1.031 276 Y CB 1.996 40.379 38.460 -0.130 0.000 1.246 276 Y HN 0.687 nan 8.280 nan 0.000 0.449 277 R N 4.659 124.891 120.500 -0.446 0.000 2.407 277 R HA 0.517 4.857 4.340 -0.000 0.000 0.303 277 R C -0.479 175.620 176.300 -0.336 0.000 0.981 277 R CA -0.501 55.366 56.100 -0.389 0.000 0.905 277 R CB 0.783 30.921 30.300 -0.270 0.000 1.099 277 R HN 0.773 nan 8.270 nan 0.000 0.459 278 R N 3.230 123.522 120.500 -0.346 0.000 2.642 278 R HA 0.179 4.518 4.340 -0.000 0.000 0.435 278 R C -0.455 175.707 176.300 -0.231 0.000 1.046 278 R CA -0.076 55.917 56.100 -0.178 0.000 1.103 278 R CB 0.141 30.382 30.300 -0.099 0.000 1.425 278 R HN 0.794 nan 8.270 nan 0.000 0.586 279 C N -1.523 117.581 119.300 -0.327 0.000 3.308 279 C HA 0.682 5.142 4.460 -0.000 0.000 0.360 279 C C 0.161 175.077 174.990 -0.123 0.000 1.695 279 C CA -1.413 57.458 59.018 -0.246 0.000 1.366 279 C CB 1.368 28.884 27.740 -0.374 0.000 2.121 279 C HN 0.313 nan 8.230 nan 0.000 0.442 280 R N 1.216 121.696 120.500 -0.034 0.000 2.522 280 R HA 0.492 4.832 4.340 -0.000 0.000 0.284 280 R C 0.037 176.394 176.300 0.095 0.000 1.032 280 R CA 0.952 57.089 56.100 0.061 0.000 1.049 280 R CB -0.088 30.287 30.300 0.125 0.000 0.956 280 R HN 1.185 nan 8.270 nan 0.000 0.422 281 A N 3.318 126.210 122.820 0.121 0.000 2.331 281 A HA 0.271 4.590 4.320 -0.000 0.000 0.283 281 A C 0.798 178.486 177.584 0.173 0.000 1.142 281 A CA 0.007 52.135 52.037 0.152 0.000 0.812 281 A CB 0.616 19.714 19.000 0.164 0.000 1.074 281 A HN 0.998 nan 8.150 nan 0.000 0.497 282 S N 1.614 117.430 115.700 0.193 0.000 2.528 282 S HA 0.165 4.635 4.470 -0.000 0.000 0.219 282 S C 0.975 175.680 174.600 0.177 0.000 0.985 282 S CA 0.544 58.855 58.200 0.185 0.000 0.914 282 S CB 0.152 63.468 63.200 0.193 0.000 0.776 282 S HN 1.281 nan 8.310 nan 0.000 0.526 283 G N 1.910 110.835 108.800 0.209 0.000 4.644 283 G HA2 0.536 4.496 3.960 -0.000 0.000 0.307 283 G HA3 0.536 4.496 3.960 -0.000 0.000 0.307 283 G C -0.234 174.800 174.900 0.222 0.000 1.331 283 G CA -0.210 45.020 45.100 0.217 0.000 1.059 283 G HN 0.555 nan 8.290 nan 0.000 0.590 284 V N -2.357 117.671 119.914 0.189 0.000 3.074 284 V HA 0.572 4.692 4.120 -0.000 0.000 0.314 284 V C 1.295 177.476 176.094 0.145 0.000 1.117 284 V CA -0.973 61.454 62.300 0.212 0.000 1.014 284 V CB 1.681 33.691 31.823 0.310 0.000 1.057 284 V HN 0.073 nan 8.190 nan 0.000 0.438 285 L N 2.180 123.499 121.223 0.161 0.000 2.127 285 L HA -0.041 4.299 4.340 -0.000 0.000 0.211 285 L C 2.230 179.121 176.870 0.035 0.000 1.089 285 L CA 3.035 57.951 54.840 0.126 0.000 0.757 285 L CB -0.650 41.506 42.059 0.162 0.000 0.899 285 L HN 1.103 nan 8.230 nan 0.000 0.434 286 T N -6.148 108.352 114.554 -0.091 0.000 3.188 286 T HA 0.033 4.383 4.350 -0.000 0.000 0.250 286 T C 1.508 176.157 174.700 -0.085 0.000 1.077 286 T CA 0.604 62.599 62.100 -0.175 0.000 0.967 286 T CB -0.573 68.021 68.868 -0.456 0.000 1.006 286 T HN 0.213 nan 8.240 nan 0.000 0.552 287 T N 1.732 116.275 114.554 -0.018 0.000 2.708 287 T HA -0.123 4.227 4.350 -0.000 0.000 0.266 287 T C 2.198 176.927 174.700 0.048 0.000 1.037 287 T CA 1.702 63.826 62.100 0.041 0.000 1.146 287 T CB -0.493 68.424 68.868 0.082 0.000 0.865 287 T HN 0.542 nan 8.240 nan 0.000 0.435 288 S N -0.216 115.486 115.700 0.002 0.000 2.345 288 S HA -0.127 4.342 4.470 -0.000 0.000 0.219 288 S C 2.454 177.070 174.600 0.027 0.000 1.031 288 S CA 1.294 59.479 58.200 -0.026 0.000 0.984 288 S CB -0.919 62.155 63.200 -0.211 0.000 0.874 288 S HN 0.671 nan 8.310 nan 0.000 0.451 289 C N 1.401 120.694 119.300 -0.011 0.000 2.429 289 C HA 0.104 4.564 4.460 -0.000 0.000 0.277 289 C C 2.789 177.833 174.990 0.091 0.000 1.262 289 C CA 1.142 60.179 59.018 0.032 0.000 1.733 289 C CB -1.792 25.936 27.740 -0.020 0.000 2.010 289 C HN 0.709 nan 8.230 nan 0.000 0.483 290 G N 0.369 109.231 108.800 0.103 0.000 2.402 290 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.216 290 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.216 290 G C 1.541 176.538 174.900 0.161 0.000 1.162 290 G CA 0.922 46.095 45.100 0.121 0.000 0.777 290 G HN 0.583 nan 8.290 nan 0.000 0.539 291 N N 0.481 119.283 118.700 0.170 0.000 2.120 291 N HA -0.078 4.662 4.740 -0.000 0.000 0.188 291 N C 2.398 177.957 175.510 0.081 0.000 1.024 291 N CA 1.571 54.736 53.050 0.190 0.000 0.852 291 N CB -0.698 37.808 38.487 0.033 0.000 1.003 291 N HN 0.214 nan 8.380 nan 0.000 0.424 292 T N 1.783 116.398 114.554 0.101 0.000 2.746 292 T HA -0.012 4.337 4.350 -0.000 0.000 0.267 292 T C 2.132 176.923 174.700 0.151 0.000 1.039 292 T CA 0.691 62.870 62.100 0.132 0.000 1.142 292 T CB -0.233 68.789 68.868 0.257 0.000 0.866 292 T HN 0.132 nan 8.240 nan 0.000 0.444 293 L N 0.512 121.806 121.223 0.119 0.000 2.027 293 L HA -0.101 4.239 4.340 -0.000 0.000 0.206 293 L C 2.947 179.915 176.870 0.163 0.000 1.074 293 L CA 1.222 56.120 54.840 0.097 0.000 0.745 293 L CB -0.922 41.148 42.059 0.018 0.000 0.898 293 L HN 0.267 nan 8.230 nan 0.000 0.433 294 T N -1.382 113.290 114.554 0.196 0.000 2.821 294 T HA -0.220 4.130 4.350 -0.000 0.000 0.267 294 T C 1.995 176.890 174.700 0.326 0.000 1.046 294 T CA 1.394 63.641 62.100 0.245 0.000 1.139 294 T CB -0.390 68.659 68.868 0.301 0.000 0.871 294 T HN 0.467 nan 8.240 nan 0.000 0.454 295 C N 0.621 120.154 119.300 0.389 0.000 2.446 295 C HA -0.063 4.397 4.460 -0.000 0.000 0.277 295 C C 2.372 177.511 174.990 0.249 0.000 1.275 295 C CA 0.388 59.618 59.018 0.354 0.000 1.727 295 C CB -1.406 26.412 27.740 0.130 0.000 2.010 295 C HN 0.649 nan 8.230 nan 0.000 0.486 296 Y N 1.066 121.427 120.300 0.101 0.000 2.181 296 Y HA -0.096 4.454 4.550 0.000 0.000 0.288 296 Y C 2.152 178.072 175.900 0.034 0.000 1.146 296 Y CA 2.095 60.233 58.100 0.064 0.000 1.164 296 Y CB -0.565 37.918 38.460 0.038 0.000 0.982 296 Y HN 0.347 nan 8.280 nan 0.000 0.515 297 L N 1.001 122.275 121.223 0.085 0.000 1.976 297 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 297 L C 2.132 178.908 176.870 -0.156 0.000 1.071 297 L CA 2.024 56.803 54.840 -0.103 0.000 0.746 297 L CB -0.978 41.001 42.059 -0.134 0.000 0.890 297 L HN 0.129 nan 8.230 nan 0.000 0.432 298 K N -0.325 120.058 120.400 -0.028 0.000 2.026 298 K HA -0.116 4.204 4.320 -0.000 0.000 0.208 298 K C 2.082 178.718 176.600 0.060 0.000 1.048 298 K CA 1.474 57.771 56.287 0.017 0.000 0.929 298 K CB -0.497 32.102 32.500 0.166 0.000 0.713 298 K HN 0.503 nan 8.250 nan 0.000 0.439 299 A N 1.157 124.003 122.820 0.044 0.000 1.933 299 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 299 A C 2.240 179.869 177.584 0.074 0.000 1.175 299 A CA 1.806 53.903 52.037 0.099 0.000 0.628 299 A CB -0.513 18.599 19.000 0.186 0.000 0.814 299 A HN 0.178 nan 8.150 nan 0.000 0.444 300 S N -0.028 115.584 115.700 -0.147 0.000 2.356 300 S HA -0.065 4.404 4.470 -0.000 0.000 0.223 300 S C 2.339 176.898 174.600 -0.067 0.000 1.032 300 S CA 1.268 59.348 58.200 -0.200 0.000 1.005 300 S CB -0.526 62.408 63.200 -0.443 0.000 0.867 300 S HN 0.808 nan 8.310 nan 0.000 0.449 301 A N 1.438 124.232 122.820 -0.043 0.000 1.933 301 A HA 0.106 4.425 4.320 -0.000 0.000 0.218 301 A C 2.309 179.969 177.584 0.127 0.000 1.175 301 A CA 1.699 53.773 52.037 0.062 0.000 0.628 301 A CB -0.965 18.077 19.000 0.071 0.000 0.814 301 A HN 0.521 nan 8.150 nan 0.000 0.444 302 A N -1.328 121.587 122.820 0.158 0.000 2.015 302 A HA -0.093 4.226 4.320 -0.000 0.000 0.219 302 A C 2.215 179.872 177.584 0.122 0.000 1.163 302 A CA 1.475 53.496 52.037 -0.026 0.000 0.646 302 A CB -1.078 17.589 19.000 -0.554 0.000 0.806 302 A HN 0.584 nan 8.150 nan 0.000 0.448 303 C N -0.833 118.611 119.300 0.239 0.000 2.440 303 C HA -0.040 4.420 4.460 -0.000 0.000 0.278 303 C C 2.858 177.861 174.990 0.022 0.000 1.295 303 C CA 0.972 60.122 59.018 0.220 0.000 1.738 303 C CB -1.210 26.610 27.740 0.133 0.000 1.987 303 C HN 0.613 nan 8.230 nan 0.000 0.492 304 R N 1.155 121.585 120.500 -0.117 0.000 2.075 304 R HA -0.045 4.295 4.340 -0.000 0.000 0.232 304 R C 2.396 178.443 176.300 -0.422 0.000 1.126 304 R CA 1.481 57.395 56.100 -0.309 0.000 0.963 304 R CB -0.494 29.504 30.300 -0.502 0.000 0.858 304 R HN 0.512 nan 8.270 nan 0.000 0.435 305 A N 1.369 123.951 122.820 -0.397 0.000 1.933 305 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 305 A C 2.220 179.777 177.584 -0.045 0.000 1.175 305 A CA 1.666 53.604 52.037 -0.165 0.000 0.628 305 A CB -0.422 18.552 19.000 -0.043 0.000 0.814 305 A HN 0.380 nan 8.150 nan 0.000 0.444 306 A N -1.249 121.565 122.820 -0.010 0.000 2.238 306 A HA 0.259 4.579 4.320 -0.000 0.000 0.208 306 A C 0.909 178.502 177.584 0.015 0.000 1.177 306 A CA 0.633 52.690 52.037 0.032 0.000 0.804 306 A CB -0.429 18.641 19.000 0.117 0.000 0.823 306 A HN 0.473 nan 8.150 nan 0.000 0.482 307 K N -0.952 119.443 120.400 -0.009 0.000 3.257 307 K HA -0.161 4.159 4.320 -0.000 0.000 0.270 307 K C -1.100 175.501 176.600 0.001 0.000 0.984 307 K CA 0.176 56.459 56.287 -0.007 0.000 0.739 307 K CB -1.700 30.803 32.500 0.005 0.000 1.351 307 K HN 0.291 nan 8.250 nan 0.000 0.463 308 L N 1.521 122.748 121.223 0.008 0.000 2.349 308 L HA 0.115 4.455 4.340 -0.000 0.000 0.275 308 L C 0.967 177.836 176.870 -0.003 0.000 1.115 308 L CA 0.469 55.312 54.840 0.006 0.000 0.820 308 L CB 0.930 43.001 42.059 0.020 0.000 1.135 308 L HN 0.111 nan 8.230 nan 0.000 0.445 309 Q N 2.965 122.760 119.800 -0.009 0.000 2.279 309 Q HA 0.089 4.428 4.340 -0.000 0.000 0.256 309 Q C -0.267 175.719 176.000 -0.024 0.000 0.937 309 Q CA -0.133 55.661 55.803 -0.015 0.000 0.933 309 Q CB 0.766 29.492 28.738 -0.019 0.000 1.189 309 Q HN 0.507 nan 8.270 nan 0.000 0.417 310 D N 1.315 121.702 120.400 -0.021 0.000 2.812 310 D HA -0.181 4.459 4.640 -0.000 0.000 0.237 310 D C -0.955 175.327 176.300 -0.030 0.000 1.162 310 D CA 0.305 54.289 54.000 -0.027 0.000 0.740 310 D CB -0.446 40.328 40.800 -0.042 0.000 1.000 310 D HN 0.511 nan 8.370 nan 0.000 0.416 311 C N 1.060 120.350 119.300 -0.017 0.000 2.514 311 C HA 0.436 4.896 4.460 -0.000 0.000 0.392 311 C C 0.892 175.880 174.990 -0.004 0.000 1.294 311 C CA 0.012 59.019 59.018 -0.018 0.000 1.957 311 C CB 0.889 28.623 27.740 -0.011 0.000 2.541 311 C HN 0.363 nan 8.230 nan 0.000 0.569 312 T N 5.987 120.532 114.554 -0.015 0.000 2.890 312 T HA 0.461 4.811 4.350 -0.000 0.000 0.295 312 T C -0.377 174.342 174.700 0.032 0.000 0.993 312 T CA -0.234 61.883 62.100 0.029 0.000 0.979 312 T CB 0.800 69.653 68.868 -0.024 0.000 0.967 312 T HN 0.542 nan 8.240 nan 0.000 0.441 313 M N 2.917 122.582 119.600 0.109 0.000 2.598 313 M HA 0.677 5.156 4.480 -0.000 0.000 0.317 313 M C -1.197 175.225 176.300 0.205 0.000 1.201 313 M CA -1.206 54.151 55.300 0.095 0.000 0.971 313 M CB 1.825 34.476 32.600 0.085 0.000 1.657 313 M HN 0.300 nan 8.290 nan 0.000 0.470 314 L N 2.157 123.459 121.223 0.133 0.000 2.446 314 L HA 0.598 4.938 4.340 -0.000 0.000 0.268 314 L C -1.494 175.389 176.870 0.022 0.000 0.975 314 L CA -0.461 54.460 54.840 0.134 0.000 0.848 314 L CB 1.725 43.882 42.059 0.164 0.000 1.225 314 L HN 0.470 nan 8.230 nan 0.000 0.410 315 V N 4.351 124.261 119.914 -0.007 0.000 2.495 315 V HA 0.590 4.710 4.120 -0.000 0.000 0.298 315 V C -0.581 175.343 176.094 -0.284 0.000 1.031 315 V CA -0.596 61.671 62.300 -0.055 0.000 0.871 315 V CB 1.878 33.761 31.823 0.101 0.000 0.988 315 V HN 0.785 nan 8.190 nan 0.000 0.432 316 N N 3.608 122.091 118.700 -0.362 0.000 2.648 316 N HA 0.597 5.337 4.740 -0.000 0.000 0.261 316 N C 0.504 175.867 175.510 -0.245 0.000 1.138 316 N CA 0.591 53.188 53.050 -0.755 0.000 0.804 316 N CB 1.647 39.606 38.487 -0.881 0.000 1.237 316 N HN 1.074 nan 8.380 nan 0.000 0.532 317 G N 2.127 110.954 108.800 0.045 0.000 2.591 317 G HA2 -0.384 3.575 3.960 -0.000 0.000 0.298 317 G HA3 -0.384 3.575 3.960 -0.000 0.000 0.298 317 G C 0.518 175.282 174.900 -0.226 0.000 1.195 317 G CA 0.622 45.749 45.100 0.045 0.000 0.989 317 G HN 0.587 nan 8.290 nan 0.000 0.551 318 D N 1.284 121.476 120.400 -0.347 0.000 2.349 318 D HA 0.061 4.701 4.640 -0.000 0.000 0.224 318 D C 0.344 176.512 176.300 -0.220 0.000 1.029 318 D CA 0.860 54.478 54.000 -0.637 0.000 0.879 318 D CB -0.096 40.365 40.800 -0.566 0.000 0.906 318 D HN 0.424 nan 8.370 nan 0.000 0.528 319 D N 0.731 121.057 120.400 -0.123 0.000 2.249 319 D HA 0.320 4.960 4.640 -0.000 0.000 0.246 319 D C -0.913 175.362 176.300 -0.042 0.000 1.114 319 D CA -0.517 53.452 54.000 -0.052 0.000 0.854 319 D CB 1.325 42.090 40.800 -0.059 0.000 1.132 319 D HN 0.088 nan 8.370 nan 0.000 0.461 320 L N 4.709 125.946 121.223 0.023 0.000 2.408 320 L HA 0.548 4.887 4.340 -0.000 0.000 0.268 320 L C -1.795 175.050 176.870 -0.040 0.000 0.986 320 L CA -0.706 54.148 54.840 0.024 0.000 0.820 320 L CB 2.014 44.148 42.059 0.125 0.000 1.303 320 L HN 0.150 nan 8.230 nan 0.000 0.411 321 V N 5.736 125.586 119.914 -0.106 0.000 2.638 321 V HA 0.761 4.881 4.120 -0.000 0.000 0.306 321 V C -1.621 174.297 176.094 -0.294 0.000 1.052 321 V CA -0.313 61.860 62.300 -0.212 0.000 0.885 321 V CB 2.198 33.944 31.823 -0.127 0.000 0.999 321 V HN 0.614 nan 8.190 nan 0.000 0.424 322 V N 7.905 127.459 119.914 -0.600 0.000 2.495 322 V HA 0.582 4.702 4.120 -0.000 0.000 0.298 322 V C -0.234 175.651 176.094 -0.348 0.000 1.031 322 V CA -0.413 61.559 62.300 -0.547 0.000 0.871 322 V CB 1.785 33.077 31.823 -0.886 0.000 0.988 322 V HN 0.794 nan 8.190 nan 0.000 0.432 323 I N 5.558 126.034 120.570 -0.157 0.000 2.411 323 I HA 0.515 4.685 4.170 -0.000 0.000 0.284 323 I C 0.139 176.205 176.117 -0.085 0.000 1.012 323 I CA -0.261 60.998 61.300 -0.069 0.000 1.119 323 I CB 1.284 39.268 38.000 -0.026 0.000 1.261 323 I HN 0.839 nan 8.210 nan 0.000 0.448 324 C N 2.926 122.182 119.300 -0.073 0.000 3.205 324 C HA 0.613 5.073 4.460 -0.000 0.000 0.372 324 C C -0.187 174.738 174.990 -0.108 0.000 1.892 324 C CA -0.836 58.139 59.018 -0.071 0.000 1.516 324 C CB 1.644 29.373 27.740 -0.018 0.000 2.371 324 C HN 0.561 nan 8.230 nan 0.000 0.468 325 E N 1.691 121.845 120.200 -0.077 0.000 2.227 325 E HA 0.350 4.700 4.350 -0.000 0.000 0.282 325 E C -0.230 176.345 176.600 -0.042 0.000 1.015 325 E CA 0.429 56.780 56.400 -0.082 0.000 0.823 325 E CB 1.797 31.459 29.700 -0.064 0.000 1.081 325 E HN 0.706 nan 8.360 nan 0.000 0.396 326 S N 1.612 117.294 115.700 -0.030 0.000 2.580 326 S HA 0.395 4.865 4.470 -0.000 0.000 0.274 326 S C 0.144 174.752 174.600 0.013 0.000 1.329 326 S CA 0.012 58.238 58.200 0.043 0.000 1.036 326 S CB 0.605 63.879 63.200 0.123 0.000 0.919 326 S HN 0.509 nan 8.310 nan 0.000 0.515 327 A N 2.879 125.716 122.820 0.027 0.000 2.610 327 A HA 0.663 4.982 4.320 -0.000 0.000 0.290 327 A C 0.610 178.195 177.584 0.002 0.000 1.001 327 A CA 0.075 52.114 52.037 0.003 0.000 1.004 327 A CB -0.590 18.410 19.000 0.000 0.000 1.220 327 A HN 1.947 nan 8.150 nan 0.000 0.507 328 G N -1.297 107.501 108.800 -0.002 0.000 2.907 328 G HA2 0.114 4.074 3.960 -0.000 0.000 0.686 328 G HA3 0.114 4.074 3.960 -0.000 0.000 0.686 328 G C 0.669 175.577 174.900 0.014 0.000 1.115 328 G CA -0.012 45.071 45.100 -0.028 0.000 0.760 328 G HN 1.316 nan 8.290 nan 0.000 0.620 329 V N 1.976 121.876 119.914 -0.024 0.000 2.278 329 V HA -0.276 3.844 4.120 -0.000 0.000 0.251 329 V C 2.663 178.798 176.094 0.068 0.000 1.062 329 V CA 3.227 65.569 62.300 0.069 0.000 1.038 329 V CB -0.262 31.561 31.823 0.000 0.000 0.646 329 V HN 0.824 nan 8.190 nan 0.000 0.447 330 Q N -0.518 119.297 119.800 0.024 0.000 2.046 330 Q HA -0.213 4.127 4.340 -0.000 0.000 0.200 330 Q C 2.230 178.238 176.000 0.013 0.000 0.975 330 Q CA 2.114 57.926 55.803 0.016 0.000 0.836 330 Q CB -0.478 28.262 28.738 0.003 0.000 0.896 330 Q HN 0.762 nan 8.270 nan 0.000 0.428 331 E N 1.035 121.242 120.200 0.011 0.000 2.150 331 E HA -0.127 4.222 4.350 -0.000 0.000 0.193 331 E C 1.346 177.950 176.600 0.005 0.000 0.985 331 E CA 0.952 57.356 56.400 0.005 0.000 0.814 331 E CB -0.004 29.698 29.700 0.003 0.000 0.752 331 E HN 0.227 nan 8.360 nan 0.000 0.466 332 D N -0.295 120.121 120.400 0.027 0.000 2.144 332 D HA -0.101 4.538 4.640 -0.000 0.000 0.200 332 D C 1.705 177.984 176.300 -0.035 0.000 0.978 332 D CA 1.323 55.330 54.000 0.011 0.000 0.833 332 D CB -0.300 40.552 40.800 0.088 0.000 0.961 332 D HN 0.281 nan 8.370 nan 0.000 0.470 333 A N 1.105 123.921 122.820 -0.006 0.000 1.933 333 A HA -0.044 4.276 4.320 -0.000 0.000 0.218 333 A C 2.310 179.872 177.584 -0.038 0.000 1.175 333 A CA 2.032 54.053 52.037 -0.027 0.000 0.628 333 A CB -0.545 18.456 19.000 0.002 0.000 0.814 333 A HN 0.235 nan 8.150 nan 0.000 0.444 334 A N -0.657 122.149 122.820 -0.023 0.000 1.898 334 A HA -0.037 4.283 4.320 -0.000 0.000 0.216 334 A C 2.437 180.004 177.584 -0.028 0.000 1.181 334 A CA 1.944 53.969 52.037 -0.020 0.000 0.620 334 A CB -0.840 18.153 19.000 -0.011 0.000 0.819 334 A HN 0.436 nan 8.150 nan 0.000 0.442 335 S N 0.020 115.696 115.700 -0.040 0.000 2.368 335 S HA -0.088 4.382 4.470 -0.000 0.000 0.225 335 S C 1.774 176.333 174.600 -0.068 0.000 1.030 335 S CA 1.407 59.580 58.200 -0.044 0.000 0.999 335 S CB -0.432 62.736 63.200 -0.054 0.000 0.844 335 S HN 0.510 nan 8.310 nan 0.000 0.459 336 L N 0.533 121.660 121.223 -0.160 0.000 2.201 336 L HA -0.033 4.307 4.340 -0.000 0.000 0.212 336 L C 2.640 179.491 176.870 -0.032 0.000 1.105 336 L CA 0.986 55.683 54.840 -0.238 0.000 0.775 336 L CB -0.377 41.444 42.059 -0.397 0.000 0.913 336 L HN 0.220 nan 8.230 nan 0.000 0.440 337 R N 0.191 120.677 120.500 -0.024 0.000 2.090 337 R HA -0.077 4.263 4.340 -0.000 0.000 0.228 337 R C 2.395 178.703 176.300 0.013 0.000 1.110 337 R CA 1.333 57.437 56.100 0.006 0.000 0.973 337 R CB -0.193 30.103 30.300 -0.007 0.000 0.869 337 R HN 0.312 nan 8.270 nan 0.000 0.440 338 A N -0.185 122.641 122.820 0.011 0.000 1.898 338 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 338 A C 1.974 179.563 177.584 0.008 0.000 1.181 338 A CA 1.094 53.132 52.037 0.001 0.000 0.620 338 A CB -0.728 18.275 19.000 0.005 0.000 0.819 338 A HN 0.462 nan 8.150 nan 0.000 0.442 339 F N 1.480 121.368 119.950 -0.102 0.000 2.069 339 F HA -0.181 4.345 4.527 -0.001 0.000 0.298 339 F C 2.460 178.187 175.800 -0.122 0.000 1.113 339 F CA 2.416 60.349 58.000 -0.110 0.000 1.214 339 F CB -0.678 38.255 39.000 -0.112 0.000 0.978 339 F HN 0.203 nan 8.300 nan 0.000 0.474 340 T N 0.094 114.688 114.554 0.066 0.000 2.788 340 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 340 T C 1.703 176.357 174.700 -0.076 0.000 1.044 340 T CA 1.738 63.867 62.100 0.049 0.000 1.139 340 T CB -0.346 68.658 68.868 0.225 0.000 0.867 340 T HN 0.415 nan 8.240 nan 0.000 0.454 341 E N 1.014 121.161 120.200 -0.088 0.000 2.072 341 E HA -0.032 4.318 4.350 -0.000 0.000 0.191 341 E C 2.573 179.032 176.600 -0.235 0.000 0.985 341 E CA 0.933 57.263 56.400 -0.118 0.000 0.801 341 E CB -0.197 29.452 29.700 -0.086 0.000 0.750 341 E HN 0.485 nan 8.360 nan 0.000 0.452 342 A N 1.380 124.001 122.820 -0.331 0.000 1.873 342 A HA -0.177 4.143 4.320 -0.000 0.000 0.215 342 A C 2.177 179.296 177.584 -0.775 0.000 1.186 342 A CA 1.209 52.905 52.037 -0.569 0.000 0.616 342 A CB -0.324 18.378 19.000 -0.497 0.000 0.823 342 A HN 0.107 nan 8.150 nan 0.000 0.442 343 M N -0.154 119.089 119.600 -0.596 0.000 2.149 343 M HA -0.128 4.352 4.480 -0.000 0.000 0.261 343 M C 2.160 178.359 176.300 -0.169 0.000 1.064 343 M CA 2.050 57.123 55.300 -0.378 0.000 1.102 343 M CB -1.931 30.364 32.600 -0.508 0.000 1.369 343 M HN 0.455 nan 8.290 nan 0.000 0.408 344 T N 0.049 114.509 114.554 -0.156 0.000 2.788 344 T HA -0.110 4.239 4.350 -0.000 0.000 0.268 344 T C 1.964 176.602 174.700 -0.102 0.000 1.044 344 T CA 1.071 63.128 62.100 -0.073 0.000 1.139 344 T CB -0.169 68.664 68.868 -0.058 0.000 0.867 344 T HN 0.391 nan 8.240 nan 0.000 0.454 345 R N 0.041 120.412 120.500 -0.215 0.000 2.115 345 R HA -0.037 4.303 4.340 -0.000 0.000 0.230 345 R C 1.523 177.781 176.300 -0.070 0.000 1.111 345 R CA 1.021 57.006 56.100 -0.191 0.000 0.976 345 R CB -0.258 29.863 30.300 -0.299 0.000 0.870 345 R HN 0.429 nan 8.270 nan 0.000 0.445 346 Y N 0.345 120.590 120.300 -0.092 0.000 2.477 346 Y HA 0.084 4.635 4.550 0.001 0.000 0.303 346 Y C 0.826 176.680 175.900 -0.077 0.000 1.202 346 Y CA -0.393 57.647 58.100 -0.100 0.000 1.282 346 Y CB -0.399 38.031 38.460 -0.051 0.000 1.071 346 Y HN -0.028 nan 8.280 nan 0.000 0.510 347 S N -0.005 115.737 115.700 0.070 0.000 3.884 347 S HA -0.085 4.385 4.470 -0.000 0.000 0.374 347 S C -0.041 174.586 174.600 0.045 0.000 0.971 347 S CA 0.487 58.713 58.200 0.043 0.000 1.152 347 S CB -1.410 61.801 63.200 0.017 0.000 0.877 347 S HN 0.818 nan 8.310 nan 0.000 0.491 348 A N 1.702 124.566 122.820 0.074 0.000 3.455 348 A HA 0.549 4.869 4.320 -0.000 0.000 0.225 348 A C -2.294 175.415 177.584 0.208 0.000 1.052 348 A CA -0.432 51.679 52.037 0.124 0.000 1.005 348 A CB 0.875 19.978 19.000 0.172 0.000 1.318 348 A HN 0.462 nan 8.150 nan 0.000 0.639 349 P HA 0.304 nan 4.420 nan 0.000 0.272 349 P C -2.911 174.462 177.300 0.122 0.000 1.230 349 P CA -0.971 62.202 63.100 0.122 0.000 0.788 349 P CB 0.625 32.329 31.700 0.007 0.000 0.949 350 P HA 0.112 nan 4.420 nan 0.000 0.281 350 P C 0.772 178.006 177.300 -0.109 0.000 1.249 350 P CA -0.044 62.939 63.100 -0.196 0.000 0.810 350 P CB 0.934 32.461 31.700 -0.288 0.000 1.008 351 G N 1.820 110.548 108.800 -0.119 0.000 2.408 351 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.213 351 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.213 351 G C 0.001 174.863 174.900 -0.064 0.000 1.177 351 G CA 0.326 45.388 45.100 -0.063 0.000 0.802 351 G HN 0.487 nan 8.290 nan 0.000 0.533 352 D N 0.932 121.282 120.400 -0.084 0.000 2.505 352 D HA 0.314 4.954 4.640 -0.000 0.000 0.249 352 D C -2.586 173.679 176.300 -0.060 0.000 1.082 352 D CA -1.160 52.806 54.000 -0.056 0.000 0.839 352 D CB 2.240 43.015 40.800 -0.041 0.000 1.317 352 D HN 0.043 nan 8.370 nan 0.000 0.497 353 P HA 0.082 nan 4.420 nan 0.000 0.264 353 P C -2.352 174.964 177.300 0.027 0.000 1.193 353 P CA -0.755 62.350 63.100 0.009 0.000 0.763 353 P CB -0.231 31.475 31.700 0.011 0.000 0.810 354 P HA 0.133 nan 4.420 nan 0.000 0.271 354 P C -0.551 176.766 177.300 0.029 0.000 1.216 354 P CA 0.144 63.319 63.100 0.127 0.000 0.771 354 P CB 0.973 32.852 31.700 0.298 0.000 0.864 355 Q N 4.032 123.858 119.800 0.044 0.000 2.353 355 Q HA 0.410 4.749 4.340 -0.000 0.000 0.268 355 Q C -2.476 173.520 176.000 -0.008 0.000 1.045 355 Q CA -2.494 53.309 55.803 -0.000 0.000 0.811 355 Q CB 2.365 31.111 28.738 0.014 0.000 1.305 355 Q HN 0.329 nan 8.270 nan 0.000 0.447 356 P HA 0.105 nan 4.420 nan 0.000 0.276 356 P C -1.039 176.090 177.300 -0.285 0.000 1.230 356 P CA 0.039 63.034 63.100 -0.176 0.000 0.776 356 P CB 1.057 32.632 31.700 -0.209 0.000 0.888 357 E N 2.368 122.378 120.200 -0.316 0.000 2.212 357 E HA 0.237 4.586 4.350 -0.000 0.000 0.268 357 E C -0.509 175.893 176.600 -0.328 0.000 0.902 357 E CA -0.526 55.726 56.400 -0.246 0.000 0.779 357 E CB 1.372 31.037 29.700 -0.059 0.000 1.172 357 E HN 0.442 nan 8.360 nan 0.000 0.409 358 Y N -0.240 120.208 120.300 0.247 0.000 2.612 358 Y HA 0.194 4.744 4.550 -0.001 0.000 0.250 358 Y C 0.202 176.354 175.900 0.420 0.000 1.175 358 Y CA -0.404 57.914 58.100 0.364 0.000 1.205 358 Y CB 1.036 39.605 38.460 0.183 0.000 1.201 358 Y HN 0.230 nan 8.280 nan 0.000 0.532 359 D N 0.585 121.121 120.400 0.227 0.000 2.469 359 D HA 0.110 4.749 4.640 -0.000 0.000 0.251 359 D C 0.780 176.828 176.300 -0.420 0.000 1.173 359 D CA -0.252 53.733 54.000 -0.026 0.000 0.882 359 D CB 1.634 42.441 40.800 0.012 0.000 1.129 359 D HN 0.135 nan 8.370 nan 0.000 0.549 360 L N 4.606 125.204 121.223 -1.041 0.000 2.021 360 L HA -0.176 4.164 4.340 -0.000 0.000 0.215 360 L C 1.709 178.253 176.870 -0.543 0.000 1.074 360 L CA 2.057 56.186 54.840 -1.185 0.000 0.760 360 L CB -0.381 40.794 42.059 -1.474 0.000 0.889 360 L HN 0.509 nan 8.230 nan 0.000 0.433 361 E N -0.710 119.267 120.200 -0.372 0.000 2.331 361 E HA -0.204 4.146 4.350 -0.000 0.000 0.199 361 E C 1.979 178.481 176.600 -0.163 0.000 1.008 361 E CA 1.012 57.282 56.400 -0.217 0.000 0.843 361 E CB -0.259 29.360 29.700 -0.135 0.000 0.761 361 E HN 0.564 nan 8.360 nan 0.000 0.507 362 L N 0.818 121.943 121.223 -0.163 0.000 2.591 362 L HA 0.161 4.500 4.340 -0.000 0.000 0.228 362 L C 0.765 177.577 176.870 -0.097 0.000 1.133 362 L CA -0.062 54.718 54.840 -0.099 0.000 0.880 362 L CB 0.159 42.183 42.059 -0.058 0.000 1.033 362 L HN 0.033 nan 8.230 nan 0.000 0.450 363 I N 0.328 120.812 120.570 -0.143 0.000 2.312 363 I HA 0.100 4.269 4.170 -0.000 0.000 0.291 363 I C -0.025 176.038 176.117 -0.090 0.000 1.031 363 I CA 0.144 61.378 61.300 -0.111 0.000 1.293 363 I CB 1.283 39.195 38.000 -0.146 0.000 1.403 363 I HN -0.088 nan 8.210 nan 0.000 0.484 364 T N 5.202 119.723 114.554 -0.054 0.000 2.758 364 T HA 0.413 4.762 4.350 -0.000 0.000 0.285 364 T C -0.189 174.496 174.700 -0.026 0.000 0.981 364 T CA -0.563 61.514 62.100 -0.038 0.000 0.965 364 T CB 0.856 69.707 68.868 -0.028 0.000 0.927 364 T HN 0.703 nan 8.240 nan 0.000 0.448 365 S N 1.032 116.719 115.700 -0.022 0.000 2.547 365 S HA 0.448 4.918 4.470 -0.000 0.000 0.281 365 S C 0.252 174.855 174.600 0.006 0.000 1.118 365 S CA -0.793 57.396 58.200 -0.018 0.000 0.947 365 S CB 0.758 63.933 63.200 -0.042 0.000 1.053 365 S HN 0.873 nan 8.310 nan 0.000 0.482 366 C N 1.914 121.222 119.300 0.012 0.000 4.432 366 C HA -0.191 4.269 4.460 -0.000 0.000 0.294 366 C C 1.444 176.490 174.990 0.092 0.000 1.398 366 C CA 0.750 59.797 59.018 0.048 0.000 1.988 366 C CB -3.174 24.591 27.740 0.042 0.000 1.251 366 C HN 1.630 nan 8.230 nan 0.000 0.791 367 S N -1.940 113.796 115.700 0.061 0.000 3.127 367 S HA -0.207 4.263 4.470 -0.000 0.000 0.281 367 S C 0.377 175.009 174.600 0.053 0.000 1.293 367 S CA 1.369 59.601 58.200 0.054 0.000 1.156 367 S CB -0.835 62.412 63.200 0.077 0.000 1.389 367 S HN 0.966 nan 8.310 nan 0.000 0.672 368 S N 1.894 117.639 115.700 0.075 0.000 2.726 368 S HA 0.794 5.264 4.470 -0.000 0.000 0.308 368 S C -0.232 174.377 174.600 0.015 0.000 1.115 368 S CA -0.693 57.557 58.200 0.084 0.000 0.965 368 S CB 1.549 64.876 63.200 0.211 0.000 1.145 368 S HN 0.647 nan 8.310 nan 0.000 0.532 369 N N -0.889 117.806 118.700 -0.008 0.000 2.598 369 N HA 0.291 5.031 4.740 -0.000 0.000 0.263 369 N C -1.763 173.678 175.510 -0.115 0.000 1.254 369 N CA -0.526 52.481 53.050 -0.072 0.000 0.863 369 N CB 0.987 39.424 38.487 -0.084 0.000 1.586 369 N HN 0.322 nan 8.380 nan 0.000 0.491 370 V N 0.726 120.545 119.914 -0.157 0.000 2.686 370 V HA 0.429 4.549 4.120 -0.000 0.000 0.295 370 V C 0.477 176.443 176.094 -0.213 0.000 1.055 370 V CA 0.159 62.346 62.300 -0.189 0.000 1.050 370 V CB 1.010 32.712 31.823 -0.201 0.000 0.984 370 V HN 0.854 nan 8.190 nan 0.000 0.482 371 S N 3.010 118.516 115.700 -0.323 0.000 2.720 371 S HA 0.830 5.299 4.470 -0.000 0.000 0.287 371 S C -1.344 173.154 174.600 -0.171 0.000 1.168 371 S CA -0.437 57.593 58.200 -0.283 0.000 0.832 371 S CB 2.052 65.016 63.200 -0.394 0.000 1.166 371 S HN 0.661 nan 8.310 nan 0.000 0.493 372 V N 0.638 120.559 119.914 0.012 0.000 3.007 372 V HA 0.988 5.108 4.120 -0.000 0.000 0.311 372 V C -0.386 175.724 176.094 0.027 0.000 1.120 372 V CA 0.356 62.642 62.300 -0.023 0.000 0.980 372 V CB 1.468 33.093 31.823 -0.331 0.000 1.033 372 V HN 1.395 nan 8.190 nan 0.000 0.429 373 A N 3.773 126.451 122.820 -0.235 0.000 2.733 373 A HA 0.955 5.275 4.320 -0.000 0.000 0.299 373 A C -1.665 175.467 177.584 -0.755 0.000 1.252 373 A CA -0.454 51.303 52.037 -0.466 0.000 0.677 373 A CB 1.585 20.121 19.000 -0.774 0.000 1.361 373 A HN 1.042 nan 8.150 nan 0.000 0.528 374 H N 0.065 118.770 119.070 -0.607 0.000 2.717 374 H HA 0.496 5.052 4.556 -0.001 0.000 0.366 374 H C -0.963 173.997 175.328 -0.613 0.000 1.132 374 H CA -0.298 55.408 56.048 -0.569 0.000 1.180 374 H CB 1.381 30.802 29.762 -0.569 0.000 1.678 374 H HN 0.816 nan 8.280 nan 0.000 0.537 375 D N 0.928 121.213 120.400 -0.193 0.000 2.440 375 D HA 0.289 4.929 4.640 -0.000 0.000 0.269 375 D C 1.408 177.762 176.300 0.091 0.000 1.249 375 D CA -0.269 53.687 54.000 -0.073 0.000 1.055 375 D CB 0.300 41.073 40.800 -0.044 0.000 1.104 375 D HN 0.497 nan 8.370 nan 0.000 0.561 376 A N -0.344 122.542 122.820 0.110 0.000 1.917 376 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 376 A C 2.129 179.778 177.584 0.108 0.000 1.182 376 A CA 2.008 54.121 52.037 0.126 0.000 0.633 376 A CB -1.136 17.909 19.000 0.075 0.000 0.819 376 A HN 0.462 nan 8.150 nan 0.000 0.448 377 S N -1.816 113.929 115.700 0.075 0.000 2.555 377 S HA 0.291 4.761 4.470 -0.000 0.000 0.230 377 S C 1.517 176.160 174.600 0.073 0.000 0.978 377 S CA 1.063 59.298 58.200 0.058 0.000 0.934 377 S CB -0.135 63.087 63.200 0.037 0.000 0.766 377 S HN 1.684 nan 8.310 nan 0.000 0.533 378 G N 1.722 110.591 108.800 0.115 0.000 2.176 378 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.253 378 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.253 378 G C 0.097 175.087 174.900 0.151 0.000 0.979 378 G CA 0.368 45.542 45.100 0.122 0.000 0.641 378 G HN 0.538 nan 8.290 nan 0.000 0.530 379 K N 0.684 121.131 120.400 0.078 0.000 2.295 379 K HA 0.437 4.757 4.320 -0.000 0.000 0.270 379 K C 0.743 177.304 176.600 -0.065 0.000 1.011 379 K CA -0.649 55.659 56.287 0.036 0.000 0.953 379 K CB 0.314 32.811 32.500 -0.004 0.000 0.956 379 K HN 0.270 nan 8.250 nan 0.000 0.477 380 R N 1.746 122.153 120.500 -0.154 0.000 2.442 380 R HA 0.146 4.486 4.340 -0.000 0.000 0.291 380 R C -0.784 175.267 176.300 -0.415 0.000 1.069 380 R CA -0.240 55.588 56.100 -0.453 0.000 1.022 380 R CB 1.135 31.197 30.300 -0.396 0.000 0.976 380 R HN 0.360 nan 8.270 nan 0.000 0.443 381 V N 5.560 125.177 119.914 -0.495 0.000 2.569 381 V HA 0.323 4.443 4.120 -0.000 0.000 0.301 381 V C -1.397 174.533 176.094 -0.273 0.000 1.044 381 V CA -0.764 61.347 62.300 -0.315 0.000 0.874 381 V CB 1.160 32.865 31.823 -0.196 0.000 1.002 381 V HN 0.607 nan 8.190 nan 0.000 0.424 382 Y N 7.671 127.967 120.300 -0.008 0.000 2.359 382 Y HA 0.615 5.165 4.550 -0.001 0.000 0.330 382 Y C 0.111 176.081 175.900 0.116 0.000 1.143 382 Y CA 0.259 58.368 58.100 0.017 0.000 1.318 382 Y CB 0.963 39.392 38.460 -0.052 0.000 1.234 382 Y HN 0.811 nan 8.280 nan 0.000 0.522 383 Y N 0.626 120.985 120.300 0.097 0.000 2.597 383 Y HA 0.647 5.197 4.550 -0.000 0.000 0.340 383 Y C -2.142 173.817 175.900 0.097 0.000 1.097 383 Y CA -2.125 56.017 58.100 0.070 0.000 1.037 383 Y CB 0.614 39.088 38.460 0.023 0.000 1.305 383 Y HN 0.438 nan 8.280 nan 0.000 0.463 384 L N 2.450 123.717 121.223 0.073 0.000 2.276 384 L HA 0.723 5.062 4.340 -0.000 0.000 0.286 384 L C 0.047 177.048 176.870 0.218 0.000 1.061 384 L CA 0.559 55.439 54.840 0.068 0.000 0.807 384 L CB 1.115 43.277 42.059 0.171 0.000 1.177 384 L HN 1.037 nan 8.230 nan 0.000 0.429 385 T N 4.632 119.233 114.554 0.078 0.000 2.716 385 T HA 0.895 5.245 4.350 -0.000 0.000 0.286 385 T C -1.067 173.652 174.700 0.033 0.000 1.052 385 T CA -0.558 61.632 62.100 0.149 0.000 1.024 385 T CB 1.159 70.104 68.868 0.130 0.000 1.349 385 T HN 0.855 nan 8.240 nan 0.000 0.525 386 R N 0.345 120.840 120.500 -0.007 0.000 2.752 386 R HA 0.441 4.781 4.340 -0.000 0.000 0.277 386 R C -1.669 174.457 176.300 -0.290 0.000 1.024 386 R CA -0.992 55.015 56.100 -0.155 0.000 0.866 386 R CB 0.229 30.377 30.300 -0.253 0.000 1.278 386 R HN 0.494 nan 8.270 nan 0.000 0.473 387 D N 1.837 122.071 120.400 -0.277 0.000 2.417 387 D HA 0.067 4.707 4.640 -0.000 0.000 0.250 387 D C -1.320 174.632 176.300 -0.581 0.000 1.166 387 D CA -1.461 52.338 54.000 -0.335 0.000 0.881 387 D CB 1.329 42.011 40.800 -0.196 0.000 1.164 387 D HN 0.346 nan 8.370 nan 0.000 0.467 388 P HA -0.043 nan 4.420 nan 0.000 0.241 388 P C 1.205 178.197 177.300 -0.513 0.000 1.191 388 P CA 0.275 62.721 63.100 -1.089 0.000 0.771 388 P CB 0.356 31.312 31.700 -1.241 0.000 0.929 389 T N 0.287 114.655 114.554 -0.309 0.000 2.597 389 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 389 T C 1.837 176.491 174.700 -0.078 0.000 1.053 389 T CA 2.600 64.616 62.100 -0.139 0.000 1.165 389 T CB -1.222 67.602 68.868 -0.075 0.000 0.863 389 T HN 0.202 nan 8.240 nan 0.000 0.427 390 T N 2.157 116.673 114.554 -0.063 0.000 2.708 390 T HA -0.060 4.290 4.350 -0.000 0.000 0.266 390 T C -0.550 174.139 174.700 -0.018 0.000 1.037 390 T CA 1.289 63.394 62.100 0.007 0.000 1.146 390 T CB -1.172 67.737 68.868 0.068 0.000 0.865 390 T HN 0.342 nan 8.240 nan 0.000 0.435 391 P HA 0.043 nan 4.420 nan 0.000 0.218 391 P C 1.430 178.775 177.300 0.075 0.000 1.149 391 P CA 0.840 63.949 63.100 0.016 0.000 0.817 391 P CB -0.129 31.539 31.700 -0.055 0.000 0.785 392 L N -1.605 119.620 121.223 0.002 0.000 2.179 392 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 392 L C 2.376 179.303 176.870 0.095 0.000 1.096 392 L CA 1.104 55.979 54.840 0.058 0.000 0.779 392 L CB -0.944 41.111 42.059 -0.007 0.000 0.922 392 L HN -0.052 nan 8.230 nan 0.000 0.443 393 A N 0.355 123.220 122.820 0.074 0.000 1.898 393 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 393 A C 2.360 180.029 177.584 0.141 0.000 1.181 393 A CA 1.264 53.364 52.037 0.105 0.000 0.620 393 A CB -0.356 18.690 19.000 0.075 0.000 0.819 393 A HN 0.297 nan 8.150 nan 0.000 0.442 394 R N -0.547 120.014 120.500 0.101 0.000 2.115 394 R HA 0.033 4.373 4.340 -0.000 0.000 0.226 394 R C 2.414 178.878 176.300 0.273 0.000 1.100 394 R CA 0.964 57.137 56.100 0.122 0.000 0.980 394 R CB -0.388 29.927 30.300 0.025 0.000 0.875 394 R HN 0.497 nan 8.270 nan 0.000 0.445 395 A N 1.331 124.334 122.820 0.304 0.000 1.933 395 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 395 A C 2.349 180.199 177.584 0.443 0.000 1.175 395 A CA 1.699 54.036 52.037 0.501 0.000 0.628 395 A CB -0.574 18.734 19.000 0.514 0.000 0.814 395 A HN 0.385 nan 8.150 nan 0.000 0.444 396 A N -1.434 121.544 122.820 0.264 0.000 1.902 396 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 396 A C 2.099 179.804 177.584 0.201 0.000 1.181 396 A CA 1.355 53.495 52.037 0.171 0.000 0.623 396 A CB -0.815 18.266 19.000 0.135 0.000 0.818 396 A HN 0.827 nan 8.150 nan 0.000 0.443 397 W N 1.131 122.480 121.300 0.082 0.000 2.358 397 W HA -0.118 4.541 4.660 -0.000 0.000 0.303 397 W C 1.410 177.978 176.519 0.082 0.000 1.208 397 W CA 1.809 59.185 57.345 0.053 0.000 1.274 397 W CB -0.248 29.225 29.460 0.022 0.000 1.138 397 W HN 0.548 nan 8.180 nan 0.000 0.515 398 E N -0.757 119.718 120.200 0.458 0.000 2.516 398 E HA -0.091 4.259 4.350 -0.000 0.000 0.199 398 E C 1.821 178.609 176.600 0.314 0.000 1.069 398 E CA 0.988 57.628 56.400 0.400 0.000 0.876 398 E CB -0.011 29.983 29.700 0.490 0.000 0.843 398 E HN 0.070 nan 8.360 nan 0.000 0.530 399 T N 0.231 114.930 114.554 0.242 0.000 2.937 399 T HA 0.010 4.360 4.350 -0.000 0.000 0.260 399 T C 1.711 176.385 174.700 -0.043 0.000 1.051 399 T CA 1.100 63.266 62.100 0.110 0.000 1.141 399 T CB 0.164 69.102 68.868 0.116 0.000 0.879 399 T HN 0.212 nan 8.240 nan 0.000 0.459 400 A N 0.429 123.188 122.820 -0.102 0.000 2.390 400 A HA 0.381 4.700 4.320 -0.000 0.000 0.232 400 A C 0.695 178.149 177.584 -0.216 0.000 1.233 400 A CA -0.165 51.762 52.037 -0.183 0.000 0.907 400 A CB 0.447 19.305 19.000 -0.236 0.000 0.967 400 A HN 0.098 nan 8.150 nan 0.000 0.512 401 R N 0.143 120.533 120.500 -0.183 0.000 2.584 401 R HA 0.327 4.667 4.340 -0.000 0.000 0.276 401 R C -1.781 174.491 176.300 -0.047 0.000 1.046 401 R CA -0.523 55.512 56.100 -0.109 0.000 0.906 401 R CB 0.938 31.215 30.300 -0.037 0.000 1.215 401 R HN 0.467 nan 8.270 nan 0.000 0.449 402 H N 0.695 119.843 119.070 0.129 0.000 2.646 402 H HA 0.256 4.812 4.556 -0.000 0.000 0.325 402 H C 0.524 175.937 175.328 0.142 0.000 1.075 402 H CA 0.418 56.552 56.048 0.143 0.000 1.421 402 H CB 1.034 30.854 29.762 0.097 0.000 1.461 402 H HN 0.546 nan 8.280 nan 0.000 0.525 403 T N -0.003 114.695 114.554 0.240 0.000 2.924 403 T HA 0.261 4.610 4.350 -0.000 0.000 0.291 403 T C -1.722 173.035 174.700 0.095 0.000 1.045 403 T CA -2.208 59.985 62.100 0.155 0.000 1.015 403 T CB 1.675 70.624 68.868 0.135 0.000 1.103 403 T HN 0.242 nan 8.240 nan 0.000 0.496 404 P HA 0.045 nan 4.420 nan 0.000 0.216 404 P C -0.148 177.166 177.300 0.023 0.000 1.150 404 P CA 0.569 63.678 63.100 0.015 0.000 0.843 404 P CB 0.102 31.793 31.700 -0.016 0.000 0.787 405 V N 0.723 120.639 119.914 0.003 0.000 2.487 405 V HA 0.222 4.342 4.120 -0.000 0.000 0.298 405 V C -0.223 175.842 176.094 -0.049 0.000 1.028 405 V CA -0.842 61.441 62.300 -0.029 0.000 0.860 405 V CB 1.788 33.587 31.823 -0.041 0.000 0.991 405 V HN -0.030 nan 8.190 nan 0.000 0.427 406 N N 3.012 121.631 118.700 -0.135 0.000 2.602 406 N HA 0.074 4.814 4.740 -0.000 0.000 0.238 406 N C 1.333 176.615 175.510 -0.380 0.000 1.084 406 N CA 0.158 53.042 53.050 -0.276 0.000 0.952 406 N CB 1.653 39.826 38.487 -0.523 0.000 1.244 406 N HN 0.835 nan 8.380 nan 0.000 0.512 407 S N 2.112 117.716 115.700 -0.161 0.000 2.399 407 S HA -0.124 4.346 4.470 -0.000 0.000 0.231 407 S C 1.854 176.405 174.600 -0.083 0.000 1.022 407 S CA 0.265 58.413 58.200 -0.088 0.000 0.983 407 S CB -0.422 62.784 63.200 0.010 0.000 0.803 407 S HN 0.794 nan 8.310 nan 0.000 0.480 408 W N 1.449 122.656 121.300 -0.156 0.000 2.342 408 W HA -0.042 4.617 4.660 -0.001 0.000 0.297 408 W C 1.722 178.146 176.519 -0.159 0.000 1.213 408 W CA 0.585 57.777 57.345 -0.254 0.000 1.251 408 W CB -1.026 27.852 29.460 -0.969 0.000 1.136 408 W HN 0.381 nan 8.180 nan 0.000 0.526 409 L N 2.823 123.415 121.223 -1.052 0.000 2.072 409 L HA 0.211 4.550 4.340 -0.000 0.000 0.205 409 L C 2.620 179.288 176.870 -0.337 0.000 1.079 409 L CA 2.763 57.058 54.840 -0.907 0.000 0.752 409 L CB -1.341 39.919 42.059 -1.332 0.000 0.906 409 L HN 0.024 nan 8.230 nan 0.000 0.436 410 G N -0.666 107.958 108.800 -0.293 0.000 2.422 410 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.218 410 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.218 410 G C 1.442 176.330 174.900 -0.021 0.000 1.140 410 G CA 0.687 45.696 45.100 -0.153 0.000 0.775 410 G HN 0.434 nan 8.290 nan 0.000 0.545 411 N N 0.499 119.248 118.700 0.082 0.000 2.216 411 N HA 0.022 4.761 4.740 -0.000 0.000 0.183 411 N C 2.237 177.874 175.510 0.212 0.000 1.017 411 N CA 0.496 53.716 53.050 0.284 0.000 0.861 411 N CB -0.082 38.667 38.487 0.436 0.000 0.986 411 N HN 0.319 nan 8.380 nan 0.000 0.428 412 I N 1.002 121.663 120.570 0.152 0.000 2.252 412 I HA -0.203 3.966 4.170 -0.000 0.000 0.245 412 I C 2.029 178.191 176.117 0.074 0.000 1.102 412 I CA 0.840 62.215 61.300 0.125 0.000 1.385 412 I CB -0.137 38.005 38.000 0.237 0.000 1.064 412 I HN 0.037 nan 8.210 nan 0.000 0.414 413 I N 0.047 120.660 120.570 0.073 0.000 2.179 413 I HA -0.300 3.870 4.170 -0.000 0.000 0.242 413 I C 2.519 178.720 176.117 0.140 0.000 1.088 413 I CA 1.264 62.631 61.300 0.111 0.000 1.357 413 I CB -0.236 37.807 38.000 0.071 0.000 1.051 413 I HN 0.224 nan 8.210 nan 0.000 0.409 414 M N -0.607 118.984 119.600 -0.015 0.000 2.200 414 M HA -0.112 4.368 4.480 -0.000 0.000 0.265 414 M C 1.027 177.107 176.300 -0.367 0.000 1.066 414 M CA 1.715 56.888 55.300 -0.211 0.000 1.127 414 M CB -0.761 31.550 32.600 -0.481 0.000 1.379 414 M HN 0.193 nan 8.290 nan 0.000 0.420 415 Y N -0.660 119.634 120.300 -0.010 0.000 2.734 415 Y HA 0.505 5.055 4.550 -0.000 0.000 0.278 415 Y C 1.736 177.386 175.900 -0.417 0.000 1.108 415 Y CA -0.440 57.542 58.100 -0.196 0.000 1.211 415 Y CB -0.997 37.306 38.460 -0.261 0.000 1.182 415 Y HN 0.144 nan 8.280 nan 0.000 0.547 416 A N 0.823 123.444 122.820 -0.331 0.000 1.948 416 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 416 A C -0.411 176.922 177.584 -0.419 0.000 1.177 416 A CA 1.705 53.525 52.037 -0.360 0.000 0.636 416 A CB -1.278 17.515 19.000 -0.345 0.000 0.815 416 A HN 0.295 nan 8.150 nan 0.000 0.449 417 P HA -0.009 nan 4.420 nan 0.000 0.225 417 P C 0.856 177.941 177.300 -0.357 0.000 1.156 417 P CA 1.319 64.183 63.100 -0.393 0.000 0.787 417 P CB -0.373 31.133 31.700 -0.324 0.000 0.802 418 T N -2.274 112.072 114.554 -0.346 0.000 2.856 418 T HA 0.044 4.394 4.350 -0.000 0.000 0.306 418 T C 1.124 175.443 174.700 -0.635 0.000 1.062 418 T CA -0.521 61.312 62.100 -0.446 0.000 1.083 418 T CB 0.437 68.806 68.868 -0.831 0.000 0.984 418 T HN -0.150 nan 8.240 nan 0.000 0.542 419 L N 1.988 122.721 121.223 -0.816 0.000 2.044 419 L HA 0.100 4.440 4.340 -0.000 0.000 0.205 419 L C 2.439 179.020 176.870 -0.482 0.000 1.075 419 L CA 1.410 55.757 54.840 -0.822 0.000 0.747 419 L CB -0.977 40.438 42.059 -1.072 0.000 0.903 419 L HN 0.920 nan 8.230 nan 0.000 0.435 420 W N -0.399 120.700 121.300 -0.335 0.000 2.402 420 W HA 0.012 4.671 4.660 -0.000 0.000 0.286 420 W C 1.934 178.332 176.519 -0.201 0.000 1.221 420 W CA 0.842 58.033 57.345 -0.257 0.000 1.257 420 W CB -1.347 27.999 29.460 -0.190 0.000 1.120 420 W HN 0.340 nan 8.180 nan 0.000 0.551 421 A N 1.821 124.239 122.820 -0.669 0.000 1.897 421 A HA -0.101 4.219 4.320 -0.000 0.000 0.215 421 A C 2.252 179.714 177.584 -0.203 0.000 1.181 421 A CA 1.613 53.383 52.037 -0.445 0.000 0.620 421 A CB -0.692 17.858 19.000 -0.749 0.000 0.821 421 A HN 0.289 nan 8.150 nan 0.000 0.443 422 R N -1.233 119.081 120.500 -0.309 0.000 2.057 422 R HA 0.024 4.364 4.340 -0.000 0.000 0.229 422 R C 2.390 178.577 176.300 -0.187 0.000 1.136 422 R CA 1.537 57.506 56.100 -0.219 0.000 0.952 422 R CB -0.427 29.632 30.300 -0.401 0.000 0.848 422 R HN 0.632 nan 8.270 nan 0.000 0.430 423 M N 0.450 119.758 119.600 -0.488 0.000 2.086 423 M HA -0.150 4.329 4.480 -0.000 0.000 0.261 423 M C 1.672 177.774 176.300 -0.330 0.000 1.067 423 M CA 1.891 56.910 55.300 -0.469 0.000 1.116 423 M CB 0.134 32.436 32.600 -0.497 0.000 1.348 423 M HN 0.110 nan 8.290 nan 0.000 0.407 424 I N -0.866 119.403 120.570 -0.502 0.000 2.962 424 I HA -0.124 4.046 4.170 -0.000 0.000 0.246 424 I C 2.128 178.073 176.117 -0.287 0.000 1.091 424 I CA 0.262 61.025 61.300 -0.895 0.000 1.469 424 I CB -0.427 37.118 38.000 -0.758 0.000 1.324 424 I HN 0.233 nan 8.210 nan 0.000 0.461 425 L N 0.396 121.657 121.223 0.064 0.000 2.012 425 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 425 L C 2.709 179.893 176.870 0.523 0.000 1.073 425 L CA 1.734 56.813 54.840 0.398 0.000 0.748 425 L CB -0.516 41.798 42.059 0.424 0.000 0.891 425 L HN 0.301 nan 8.230 nan 0.000 0.431 426 M N -0.929 118.940 119.600 0.449 0.000 2.086 426 M HA -0.172 4.308 4.480 -0.000 0.000 0.261 426 M C 2.344 179.161 176.300 0.863 0.000 1.067 426 M CA 2.074 57.757 55.300 0.639 0.000 1.116 426 M CB -0.696 32.114 32.600 0.350 0.000 1.348 426 M HN 0.265 nan 8.290 nan 0.000 0.407 427 T N -1.134 113.878 114.554 0.764 0.000 2.622 427 T HA -0.241 4.108 4.350 -0.000 0.000 0.266 427 T C 1.665 176.634 174.700 0.449 0.000 1.047 427 T CA 2.029 64.489 62.100 0.600 0.000 1.159 427 T CB -0.666 68.599 68.868 0.662 0.000 0.863 427 T HN 0.448 nan 8.240 nan 0.000 0.422 428 H N 0.616 119.862 119.070 0.293 0.000 2.265 428 H HA -0.080 4.476 4.556 -0.000 0.000 0.295 428 H C 1.817 177.020 175.328 -0.207 0.000 1.084 428 H CA 1.800 57.893 56.048 0.076 0.000 1.261 428 H CB -0.628 29.054 29.762 -0.133 0.000 1.360 428 H HN 0.374 nan 8.280 nan 0.000 0.487 429 F N -1.293 118.582 119.950 -0.126 0.000 2.325 429 F HA -0.006 4.521 4.527 -0.001 0.000 0.299 429 F C 2.011 177.599 175.800 -0.354 0.000 1.090 429 F CA 0.489 58.172 58.000 -0.529 0.000 1.392 429 F CB -0.416 37.895 39.000 -1.148 0.000 1.053 429 F HN 0.142 nan 8.300 nan 0.000 0.521 430 F N -0.545 119.474 119.950 0.115 0.000 2.259 430 F HA -0.155 4.371 4.527 -0.001 0.000 0.298 430 F C 2.713 178.534 175.800 0.036 0.000 1.088 430 F CA 1.350 59.447 58.000 0.162 0.000 1.358 430 F CB -0.780 38.444 39.000 0.374 0.000 1.040 430 F HN -0.080 nan 8.300 nan 0.000 0.505 431 S N 0.474 116.235 115.700 0.101 0.000 2.356 431 S HA -0.185 4.284 4.470 -0.000 0.000 0.223 431 S C 2.146 176.691 174.600 -0.092 0.000 1.032 431 S CA 1.488 59.678 58.200 -0.018 0.000 1.005 431 S CB -0.480 62.685 63.200 -0.058 0.000 0.867 431 S HN 0.347 nan 8.310 nan 0.000 0.449 432 I N 1.248 121.694 120.570 -0.208 0.000 2.179 432 I HA -0.168 4.002 4.170 -0.000 0.000 0.242 432 I C 2.329 178.383 176.117 -0.106 0.000 1.088 432 I CA 1.103 62.275 61.300 -0.213 0.000 1.357 432 I CB -0.381 37.401 38.000 -0.362 0.000 1.051 432 I HN 0.325 nan 8.210 nan 0.000 0.409 433 L N 0.149 121.311 121.223 -0.102 0.000 2.012 433 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 433 L C 2.591 179.463 176.870 0.003 0.000 1.073 433 L CA 1.497 56.309 54.840 -0.046 0.000 0.748 433 L CB -0.591 41.398 42.059 -0.116 0.000 0.891 433 L HN 0.284 nan 8.230 nan 0.000 0.431 434 L N -0.375 120.863 121.223 0.025 0.000 2.046 434 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 434 L C 2.839 179.719 176.870 0.016 0.000 1.077 434 L CA 1.239 56.105 54.840 0.044 0.000 0.747 434 L CB -0.608 41.487 42.059 0.060 0.000 0.896 434 L HN 0.256 nan 8.230 nan 0.000 0.432 435 A N -1.119 121.696 122.820 -0.009 0.000 1.972 435 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 435 A C 2.023 179.604 177.584 -0.004 0.000 1.169 435 A CA 1.329 53.356 52.037 -0.017 0.000 0.635 435 A CB -0.172 18.803 19.000 -0.041 0.000 0.810 435 A HN 0.438 nan 8.150 nan 0.000 0.446 436 Q N -0.840 118.963 119.800 0.005 0.000 2.247 436 Q HA 0.120 4.460 4.340 -0.000 0.000 0.211 436 Q C -0.670 175.347 176.000 0.028 0.000 0.861 436 Q CA 0.171 55.986 55.803 0.020 0.000 0.949 436 Q CB 0.219 28.977 28.738 0.035 0.000 1.115 436 Q HN 0.775 nan 8.270 nan 0.000 0.507 437 E N 1.053 121.270 120.200 0.029 0.000 2.230 437 E HA -0.240 4.110 4.350 -0.000 0.000 0.206 437 E C -0.331 176.296 176.600 0.045 0.000 1.309 437 E CA 0.299 56.722 56.400 0.038 0.000 0.697 437 E CB -1.052 28.668 29.700 0.033 0.000 1.146 437 E HN 0.439 nan 8.360 nan 0.000 0.363 438 Q N -0.273 119.558 119.800 0.050 0.000 2.110 438 Q HA 0.207 4.547 4.340 -0.000 0.000 0.232 438 Q C 1.582 177.623 176.000 0.068 0.000 0.810 438 Q CA -0.259 55.581 55.803 0.061 0.000 1.083 438 Q CB 0.528 29.310 28.738 0.073 0.000 1.193 438 Q HN 0.389 nan 8.270 nan 0.000 0.471 439 L N 0.580 121.844 121.223 0.069 0.000 2.079 439 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 439 L C 2.178 179.107 176.870 0.098 0.000 1.081 439 L CA 1.587 56.479 54.840 0.086 0.000 0.752 439 L CB -0.072 42.068 42.059 0.135 0.000 0.896 439 L HN 0.344 nan 8.230 nan 0.000 0.433 440 E N 0.367 120.619 120.200 0.086 0.000 2.478 440 E HA -0.074 4.276 4.350 -0.000 0.000 0.194 440 E C 0.800 177.444 176.600 0.073 0.000 1.045 440 E CA -0.161 56.287 56.400 0.080 0.000 0.868 440 E CB 0.400 30.140 29.700 0.068 0.000 0.885 440 E HN 0.139 nan 8.360 nan 0.000 0.505 441 K N 1.322 121.767 120.400 0.075 0.000 2.378 441 K HA 0.182 4.501 4.320 -0.000 0.000 0.288 441 K C -0.687 175.961 176.600 0.080 0.000 1.057 441 K CA -0.195 56.135 56.287 0.072 0.000 0.971 441 K CB 0.668 33.212 32.500 0.074 0.000 0.975 441 K HN 0.037 nan 8.250 nan 0.000 0.475 442 A N 5.502 128.365 122.820 0.071 0.000 2.520 442 A HA 0.256 4.575 4.320 -0.000 0.000 0.245 442 A C -0.383 177.243 177.584 0.070 0.000 1.072 442 A CA -0.067 52.013 52.037 0.071 0.000 0.761 442 A CB 0.079 19.122 19.000 0.072 0.000 1.004 442 A HN 0.775 nan 8.150 nan 0.000 0.499 443 L N 1.934 123.187 121.223 0.051 0.000 2.341 443 L HA 0.417 4.757 4.340 -0.000 0.000 0.267 443 L C -0.724 176.147 176.870 0.002 0.000 1.009 443 L CA -1.090 53.769 54.840 0.032 0.000 0.819 443 L CB 1.990 44.052 42.059 0.005 0.000 1.323 443 L HN 0.575 nan 8.230 nan 0.000 0.425 444 D N 1.065 121.474 120.400 0.014 0.000 2.256 444 D HA 0.477 5.117 4.640 -0.000 0.000 0.250 444 D C -0.500 175.757 176.300 -0.070 0.000 1.093 444 D CA -0.021 53.989 54.000 0.016 0.000 0.882 444 D CB 1.760 42.602 40.800 0.070 0.000 1.185 444 D HN 0.615 nan 8.370 nan 0.000 0.437 445 C N 0.390 119.644 119.300 -0.077 0.000 3.291 445 C HA 0.674 5.133 4.460 -0.000 0.000 0.316 445 C C -1.154 173.792 174.990 -0.073 0.000 1.391 445 C CA -0.821 58.115 59.018 -0.136 0.000 1.394 445 C CB 1.549 29.147 27.740 -0.237 0.000 1.744 445 C HN 0.528 nan 8.230 nan 0.000 0.461 446 Q N 0.635 120.388 119.800 -0.079 0.000 2.353 446 Q HA 0.723 5.063 4.340 -0.000 0.000 0.268 446 Q C -1.344 174.605 176.000 -0.084 0.000 1.045 446 Q CA -0.429 55.359 55.803 -0.025 0.000 0.811 446 Q CB 2.542 31.284 28.738 0.006 0.000 1.305 446 Q HN 0.737 nan 8.270 nan 0.000 0.447 447 I N 2.944 123.459 120.570 -0.091 0.000 2.439 447 I HA 0.192 4.362 4.170 -0.000 0.000 0.283 447 I C -1.043 175.082 176.117 0.014 0.000 1.023 447 I CA -0.746 60.397 61.300 -0.262 0.000 1.100 447 I CB 0.949 38.454 38.000 -0.825 0.000 1.238 447 I HN 0.671 nan 8.210 nan 0.000 0.445 448 Y N 4.960 125.299 120.300 0.065 0.000 3.589 448 Y HA -0.249 4.301 4.550 -0.000 0.000 0.218 448 Y C 1.462 177.367 175.900 0.009 0.000 1.234 448 Y CA 1.025 59.174 58.100 0.083 0.000 1.576 448 Y CB -1.992 36.528 38.460 0.101 0.000 1.487 448 Y HN 0.966 nan 8.280 nan 0.000 0.616 449 G N -2.059 106.854 108.800 0.188 0.000 2.234 449 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.260 449 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.260 449 G C 0.449 175.423 174.900 0.123 0.000 0.987 449 G CA 0.268 45.442 45.100 0.123 0.000 0.625 449 G HN 1.593 nan 8.290 nan 0.000 0.532 450 A N -0.618 122.303 122.820 0.168 0.000 2.304 450 A HA 0.655 4.974 4.320 -0.000 0.000 0.301 450 A C 0.645 178.214 177.584 -0.025 0.000 1.132 450 A CA 0.385 52.445 52.037 0.038 0.000 0.819 450 A CB 1.026 20.067 19.000 0.068 0.000 1.094 450 A HN 1.515 nan 8.150 nan 0.000 0.492 451 C N 2.458 121.645 119.300 -0.187 0.000 2.369 451 C HA 0.754 5.214 4.460 -0.000 0.000 0.358 451 C C -1.121 173.623 174.990 -0.410 0.000 1.274 451 C CA -0.388 58.560 59.018 -0.116 0.000 1.935 451 C CB -1.259 26.507 27.740 0.042 0.000 2.431 451 C HN 0.640 nan 8.230 nan 0.000 0.545 452 Y N 2.955 123.109 120.300 -0.243 0.000 2.442 452 Y HA 0.423 4.973 4.550 -0.001 0.000 0.344 452 Y C 0.350 176.146 175.900 -0.175 0.000 0.976 452 Y CA -0.368 57.531 58.100 -0.336 0.000 1.040 452 Y CB 1.838 40.011 38.460 -0.479 0.000 1.228 452 Y HN 0.605 nan 8.280 nan 0.000 0.451 453 S N 4.443 120.140 115.700 -0.006 0.000 2.430 453 S HA 0.704 5.173 4.470 -0.000 0.000 0.289 453 S C -0.836 173.814 174.600 0.084 0.000 1.143 453 S CA -0.270 57.980 58.200 0.082 0.000 1.067 453 S CB -0.478 62.808 63.200 0.143 0.000 0.964 453 S HN 0.541 nan 8.310 nan 0.000 0.485 454 I N 3.782 124.389 120.570 0.063 0.000 2.582 454 I HA 0.368 4.538 4.170 -0.000 0.000 0.292 454 I C -0.212 175.945 176.117 0.067 0.000 1.066 454 I CA -0.697 60.651 61.300 0.081 0.000 1.053 454 I CB 2.329 40.373 38.000 0.074 0.000 1.241 454 I HN 0.539 nan 8.210 nan 0.000 0.421 455 E N 6.615 126.868 120.200 0.089 0.000 2.167 455 E HA 0.200 4.550 4.350 -0.000 0.000 0.284 455 E C -1.776 174.895 176.600 0.119 0.000 1.016 455 E CA -1.583 54.872 56.400 0.093 0.000 0.817 455 E CB 1.461 31.214 29.700 0.088 0.000 1.080 455 E HN 0.304 nan 8.360 nan 0.000 0.397 456 P HA -0.234 nan 4.420 nan 0.000 0.216 456 P C 1.023 178.499 177.300 0.294 0.000 1.154 456 P CA 1.233 64.453 63.100 0.200 0.000 0.865 456 P CB 0.201 31.962 31.700 0.101 0.000 0.789 457 L N -0.761 120.599 121.223 0.229 0.000 2.189 457 L HA -0.198 4.142 4.340 -0.000 0.000 0.214 457 L C 1.524 178.487 176.870 0.156 0.000 1.097 457 L CA 1.379 56.348 54.840 0.214 0.000 0.764 457 L CB -0.800 41.347 42.059 0.146 0.000 0.900 457 L HN 0.045 nan 8.230 nan 0.000 0.436 458 D N -0.448 120.033 120.400 0.135 0.000 2.340 458 D HA -0.002 4.637 4.640 -0.000 0.000 0.220 458 D C 2.294 178.657 176.300 0.104 0.000 1.039 458 D CA 0.281 54.334 54.000 0.088 0.000 0.866 458 D CB 0.278 41.117 40.800 0.065 0.000 0.913 458 D HN 0.324 nan 8.370 nan 0.000 0.523 459 L N 1.046 122.377 121.223 0.179 0.000 2.021 459 L HA -0.200 4.139 4.340 -0.000 0.000 0.215 459 L C -0.400 176.572 176.870 0.171 0.000 1.074 459 L CA 1.795 56.758 54.840 0.204 0.000 0.760 459 L CB -1.634 40.619 42.059 0.323 0.000 0.889 459 L HN 0.048 nan 8.230 nan 0.000 0.433 460 P HA -0.218 nan 4.420 nan 0.000 0.214 460 P C 1.488 178.857 177.300 0.115 0.000 1.163 460 P CA 1.470 64.628 63.100 0.097 0.000 0.889 460 P CB -0.024 31.562 31.700 -0.190 0.000 0.790 461 Q N -0.916 118.878 119.800 -0.009 0.000 2.084 461 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 461 Q C 2.254 178.242 176.000 -0.021 0.000 0.978 461 Q CA 1.269 57.050 55.803 -0.036 0.000 0.844 461 Q CB -0.691 28.008 28.738 -0.065 0.000 0.898 461 Q HN 0.294 nan 8.270 nan 0.000 0.426 462 I N 0.576 121.138 120.570 -0.013 0.000 2.226 462 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 462 I C 2.244 178.365 176.117 0.007 0.000 1.100 462 I CA 1.177 62.441 61.300 -0.060 0.000 1.374 462 I CB -0.266 37.739 38.000 0.007 0.000 1.057 462 I HN 0.206 nan 8.210 nan 0.000 0.413 463 I N 0.427 121.057 120.570 0.101 0.000 2.226 463 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 463 I C 2.649 178.762 176.117 -0.005 0.000 1.100 463 I CA 1.429 62.793 61.300 0.106 0.000 1.374 463 I CB -0.437 37.605 38.000 0.071 0.000 1.057 463 I HN 0.306 nan 8.210 nan 0.000 0.413 464 E N 1.127 121.346 120.200 0.032 0.000 2.058 464 E HA -0.248 4.101 4.350 -0.000 0.000 0.194 464 E C 2.363 178.945 176.600 -0.029 0.000 0.997 464 E CA 1.122 57.533 56.400 0.019 0.000 0.801 464 E CB 0.101 29.887 29.700 0.144 0.000 0.746 464 E HN 0.271 nan 8.360 nan 0.000 0.450 465 R N 0.050 120.518 120.500 -0.053 0.000 2.120 465 R HA -0.084 4.255 4.340 -0.000 0.000 0.234 465 R C 2.348 178.576 176.300 -0.121 0.000 1.123 465 R CA 0.845 56.887 56.100 -0.096 0.000 0.975 465 R CB -0.339 29.868 30.300 -0.155 0.000 0.866 465 R HN 0.368 nan 8.270 nan 0.000 0.446 466 L N -1.293 119.838 121.223 -0.153 0.000 2.408 466 L HA 0.053 4.393 4.340 -0.000 0.000 0.215 466 L C 1.611 178.182 176.870 -0.500 0.000 1.081 466 L CA 0.630 55.286 54.840 -0.307 0.000 0.840 466 L CB -0.102 41.747 42.059 -0.350 0.000 1.002 466 L HN 0.211 nan 8.230 nan 0.000 0.468 467 H N -0.750 118.251 119.070 -0.116 0.000 3.255 467 H HA 0.318 4.873 4.556 -0.001 0.000 0.256 467 H C 0.849 176.093 175.328 -0.141 0.000 1.049 467 H CA 0.775 56.742 56.048 -0.136 0.000 1.202 467 H CB 1.333 30.986 29.762 -0.182 0.000 1.497 467 H HN 0.230 nan 8.280 nan 0.000 0.503 468 G N 1.177 109.953 108.800 -0.039 0.000 2.730 468 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.686 468 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.686 468 G C 0.687 175.531 174.900 -0.093 0.000 1.343 468 G CA -0.168 44.909 45.100 -0.039 0.000 0.826 468 G HN 0.197 nan 8.290 nan 0.000 0.582 469 L N 1.024 122.262 121.223 0.024 0.000 2.261 469 L HA -0.153 4.186 4.340 -0.000 0.000 0.216 469 L C 3.178 180.079 176.870 0.051 0.000 1.114 469 L CA 2.186 57.114 54.840 0.146 0.000 0.777 469 L CB -0.576 41.624 42.059 0.235 0.000 0.910 469 L HN 0.911 nan 8.230 nan 0.000 0.440 470 S N 0.017 115.702 115.700 -0.024 0.000 2.419 470 S HA -0.183 4.287 4.470 -0.000 0.000 0.233 470 S C 2.147 176.674 174.600 -0.121 0.000 1.016 470 S CA 0.840 59.011 58.200 -0.048 0.000 0.974 470 S CB -0.381 62.782 63.200 -0.060 0.000 0.786 470 S HN 0.394 nan 8.310 nan 0.000 0.492 471 A N 0.866 123.538 122.820 -0.247 0.000 2.019 471 A HA 0.166 4.485 4.320 -0.000 0.000 0.219 471 A C 1.577 179.017 177.584 -0.241 0.000 1.164 471 A CA 0.980 52.809 52.037 -0.348 0.000 0.644 471 A CB -0.860 17.829 19.000 -0.518 0.000 0.805 471 A HN 0.563 nan 8.150 nan 0.000 0.449 472 F N 0.314 120.276 119.950 0.021 0.000 2.811 472 F HA 0.094 4.620 4.527 -0.000 0.000 0.301 472 F C 1.703 177.549 175.800 0.076 0.000 1.151 472 F CA 0.658 58.697 58.000 0.066 0.000 1.412 472 F CB -0.007 39.061 39.000 0.113 0.000 1.113 472 F HN 0.277 nan 8.300 nan 0.000 0.579 473 S N -1.722 114.082 115.700 0.173 0.000 3.053 473 S HA 0.295 4.764 4.470 -0.000 0.000 0.255 473 S C -0.068 174.577 174.600 0.075 0.000 0.976 473 S CA -0.440 57.849 58.200 0.148 0.000 1.159 473 S CB -0.763 62.520 63.200 0.139 0.000 1.110 473 S HN 0.031 nan 8.310 nan 0.000 0.633 474 L N 3.254 124.439 121.223 -0.064 0.000 2.461 474 L HA 0.455 4.795 4.340 -0.000 0.000 0.272 474 L C 0.580 177.286 176.870 -0.273 0.000 1.197 474 L CA 0.176 54.841 54.840 -0.291 0.000 0.836 474 L CB 0.116 41.876 42.059 -0.499 0.000 1.105 474 L HN 0.688 nan 8.230 nan 0.000 0.477 475 H N -1.481 117.333 119.070 -0.428 0.000 2.948 475 H HA 0.358 4.914 4.556 -0.000 0.000 0.315 475 H C -0.386 174.763 175.328 -0.299 0.000 1.360 475 H CA -0.912 54.951 56.048 -0.309 0.000 1.125 475 H CB 1.004 30.722 29.762 -0.073 0.000 1.844 475 H HN 0.381 nan 8.280 nan 0.000 0.529 476 S N -0.151 115.590 115.700 0.067 0.000 3.572 476 S HA -0.223 4.247 4.470 -0.000 0.000 0.394 476 S C -0.628 173.982 174.600 0.016 0.000 0.923 476 S CA 0.490 58.751 58.200 0.101 0.000 1.291 476 S CB -2.343 60.923 63.200 0.111 0.000 0.914 476 S HN 0.522 nan 8.310 nan 0.000 0.545 477 Y N 1.635 121.974 120.300 0.065 0.000 2.335 477 Y HA 0.293 4.842 4.550 -0.001 0.000 0.348 477 Y C 1.425 177.379 175.900 0.089 0.000 1.280 477 Y CA 0.358 58.498 58.100 0.066 0.000 1.504 477 Y CB 0.337 38.835 38.460 0.062 0.000 1.366 477 Y HN 0.537 nan 8.280 nan 0.000 0.621 478 S N 1.080 116.938 115.700 0.264 0.000 2.572 478 S HA 0.098 4.568 4.470 -0.000 0.000 0.279 478 S C -2.018 172.667 174.600 0.141 0.000 1.341 478 S CA -1.078 57.217 58.200 0.159 0.000 1.043 478 S CB 1.110 64.380 63.200 0.116 0.000 0.887 478 S HN 0.437 nan 8.310 nan 0.000 0.516 479 P HA -0.013 nan 4.420 nan 0.000 0.217 479 P C 1.660 179.000 177.300 0.067 0.000 1.148 479 P CA 1.615 64.763 63.100 0.081 0.000 0.828 479 P CB -0.377 31.361 31.700 0.063 0.000 0.783 480 G N -0.051 108.784 108.800 0.059 0.000 2.414 480 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.215 480 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.215 480 G C 1.642 176.569 174.900 0.045 0.000 1.188 480 G CA 0.832 45.956 45.100 0.041 0.000 0.783 480 G HN 0.222 nan 8.290 nan 0.000 0.537 481 E N 0.776 121.018 120.200 0.071 0.000 2.070 481 E HA -0.149 4.200 4.350 -0.000 0.000 0.197 481 E C 2.427 179.062 176.600 0.058 0.000 1.004 481 E CA 1.153 57.602 56.400 0.082 0.000 0.805 481 E CB -0.451 29.350 29.700 0.168 0.000 0.744 481 E HN 0.528 nan 8.360 nan 0.000 0.451 482 I N 0.682 121.296 120.570 0.073 0.000 2.163 482 I HA -0.307 3.862 4.170 -0.000 0.000 0.243 482 I C 1.987 178.125 176.117 0.035 0.000 1.085 482 I CA 1.229 62.560 61.300 0.052 0.000 1.347 482 I CB -0.465 37.583 38.000 0.079 0.000 1.044 482 I HN 0.179 nan 8.210 nan 0.000 0.408 483 N N 0.742 119.463 118.700 0.036 0.000 2.120 483 N HA -0.201 4.539 4.740 -0.000 0.000 0.188 483 N C 1.915 177.430 175.510 0.008 0.000 1.024 483 N CA 1.144 54.208 53.050 0.024 0.000 0.852 483 N CB -0.448 38.054 38.487 0.024 0.000 1.003 483 N HN 0.369 nan 8.380 nan 0.000 0.424 484 R N 1.065 121.565 120.500 -0.001 0.000 2.081 484 R HA -0.042 4.298 4.340 -0.000 0.000 0.235 484 R C 1.906 178.179 176.300 -0.045 0.000 1.131 484 R CA 0.986 57.070 56.100 -0.027 0.000 0.960 484 R CB -0.081 30.195 30.300 -0.040 0.000 0.856 484 R HN -0.035 nan 8.270 nan 0.000 0.436 485 V N 0.960 120.854 119.914 -0.034 0.000 2.307 485 V HA -0.182 3.938 4.120 -0.000 0.000 0.245 485 V C 2.493 178.577 176.094 -0.017 0.000 1.045 485 V CA 1.844 64.118 62.300 -0.044 0.000 1.024 485 V CB -0.747 31.071 31.823 -0.007 0.000 0.651 485 V HN 0.544 nan 8.190 nan 0.000 0.449 486 A N -0.145 122.679 122.820 0.005 0.000 1.908 486 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 486 A C 2.495 180.089 177.584 0.017 0.000 1.181 486 A CA 2.361 54.411 52.037 0.022 0.000 0.627 486 A CB -0.776 18.242 19.000 0.030 0.000 0.818 486 A HN 0.507 nan 8.150 nan 0.000 0.445 487 S N -1.174 114.531 115.700 0.008 0.000 2.368 487 S HA -0.228 4.241 4.470 -0.000 0.000 0.225 487 S C 2.066 176.670 174.600 0.006 0.000 1.030 487 S CA 1.300 59.506 58.200 0.009 0.000 0.999 487 S CB -0.962 62.239 63.200 0.002 0.000 0.844 487 S HN 0.799 nan 8.310 nan 0.000 0.459 488 C N 2.140 121.429 119.300 -0.017 0.000 2.413 488 C HA -0.014 4.445 4.460 -0.000 0.000 0.276 488 C C 2.437 177.425 174.990 -0.003 0.000 1.236 488 C CA 0.616 59.617 59.018 -0.028 0.000 1.735 488 C CB -1.640 26.047 27.740 -0.087 0.000 2.031 488 C HN 0.575 nan 8.230 nan 0.000 0.474 489 L N 0.101 121.328 121.223 0.006 0.000 2.131 489 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 489 L C 3.024 179.908 176.870 0.023 0.000 1.092 489 L CA 1.635 56.493 54.840 0.029 0.000 0.759 489 L CB -0.808 41.286 42.059 0.058 0.000 0.903 489 L HN 0.395 nan 8.230 nan 0.000 0.435 490 R N 0.050 120.570 120.500 0.033 0.000 2.093 490 R HA -0.128 4.212 4.340 -0.000 0.000 0.224 490 R C 2.352 178.708 176.300 0.093 0.000 1.101 490 R CA 0.878 57.007 56.100 0.048 0.000 0.979 490 R CB -0.067 30.266 30.300 0.055 0.000 0.877 490 R HN 0.265 nan 8.270 nan 0.000 0.441 491 K N 1.027 121.480 120.400 0.089 0.000 2.057 491 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 491 K C 1.798 178.532 176.600 0.222 0.000 1.050 491 K CA 1.170 57.541 56.287 0.141 0.000 0.935 491 K CB 0.060 32.608 32.500 0.081 0.000 0.715 491 K HN 0.124 nan 8.250 nan 0.000 0.439 492 L N -0.345 120.937 121.223 0.099 0.000 2.446 492 L HA 0.140 4.479 4.340 -0.000 0.000 0.219 492 L C 0.810 177.584 176.870 -0.161 0.000 1.116 492 L CA 0.459 55.338 54.840 0.065 0.000 0.844 492 L CB 0.165 42.253 42.059 0.049 0.000 0.970 492 L HN 0.565 nan 8.230 nan 0.000 0.457 493 G N 1.024 109.651 108.800 -0.290 0.000 2.303 493 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.260 493 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.260 493 G C -0.253 174.535 174.900 -0.187 0.000 1.106 493 G CA -0.160 44.638 45.100 -0.504 0.000 0.900 493 G HN 0.052 nan 8.290 nan 0.000 0.495 494 V N 0.920 120.809 119.914 -0.042 0.000 2.439 494 V HA 0.456 4.576 4.120 -0.000 0.000 0.282 494 V C -1.139 175.033 176.094 0.130 0.000 1.039 494 V CA -1.630 60.725 62.300 0.091 0.000 0.913 494 V CB 1.581 33.495 31.823 0.151 0.000 0.983 494 V HN 0.259 nan 8.190 nan 0.000 0.460 495 P HA 0.096 nan 4.420 nan 0.000 0.267 495 P C -2.441 174.952 177.300 0.156 0.000 1.201 495 P CA -0.534 62.571 63.100 0.009 0.000 0.775 495 P CB -0.161 31.364 31.700 -0.292 0.000 0.854 496 P HA 0.032 nan 4.420 nan 0.000 0.276 496 P C 0.735 178.181 177.300 0.244 0.000 1.261 496 P CA -0.434 62.760 63.100 0.157 0.000 0.800 496 P CB 0.673 32.423 31.700 0.085 0.000 1.066 497 L N 2.340 123.722 121.223 0.266 0.000 2.051 497 L HA -0.236 4.104 4.340 -0.000 0.000 0.214 497 L C 2.661 179.700 176.870 0.281 0.000 1.076 497 L CA 1.974 57.000 54.840 0.311 0.000 0.758 497 L CB -1.086 41.099 42.059 0.211 0.000 0.890 497 L HN 0.304 nan 8.230 nan 0.000 0.433 498 R N -0.935 119.670 120.500 0.175 0.000 2.133 498 R HA -0.208 4.131 4.340 -0.000 0.000 0.245 498 R C 2.085 178.460 176.300 0.125 0.000 1.137 498 R CA 2.035 58.213 56.100 0.131 0.000 0.947 498 R CB -1.102 29.243 30.300 0.074 0.000 0.865 498 R HN 0.407 nan 8.270 nan 0.000 0.437 499 V N -0.453 119.485 119.914 0.039 0.000 2.270 499 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 499 V C 1.973 178.026 176.094 -0.069 0.000 1.043 499 V CA 1.856 64.104 62.300 -0.087 0.000 1.014 499 V CB -0.653 30.976 31.823 -0.324 0.000 0.645 499 V HN 0.421 nan 8.190 nan 0.000 0.447 500 W N 0.200 121.598 121.300 0.163 0.000 2.342 500 W HA -0.152 4.508 4.660 -0.001 0.000 0.297 500 W C 2.782 179.491 176.519 0.317 0.000 1.213 500 W CA 1.643 59.125 57.345 0.228 0.000 1.251 500 W CB -0.272 29.338 29.460 0.250 0.000 1.136 500 W HN 0.068 nan 8.180 nan 0.000 0.526 501 R N -0.160 120.662 120.500 0.537 0.000 2.073 501 R HA -0.215 4.125 4.340 -0.000 0.000 0.234 501 R C 2.198 178.621 176.300 0.206 0.000 1.134 501 R CA 2.055 58.402 56.100 0.412 0.000 0.952 501 R CB -0.973 29.548 30.300 0.369 0.000 0.850 501 R HN 0.365 nan 8.270 nan 0.000 0.433 502 H N 0.036 119.147 119.070 0.068 0.000 2.321 502 H HA -0.093 4.463 4.556 -0.001 0.000 0.300 502 H C 2.046 177.350 175.328 -0.039 0.000 1.087 502 H CA 1.565 57.607 56.048 -0.010 0.000 1.319 502 H CB 0.196 29.941 29.762 -0.027 0.000 1.379 502 H HN 0.195 nan 8.280 nan 0.000 0.501 503 R N 0.150 120.613 120.500 -0.061 0.000 2.096 503 R HA -0.077 4.262 4.340 -0.000 0.000 0.235 503 R C 2.608 178.833 176.300 -0.126 0.000 1.127 503 R CA 0.875 56.885 56.100 -0.151 0.000 0.968 503 R CB -0.168 30.090 30.300 -0.069 0.000 0.861 503 R HN 0.318 nan 8.270 nan 0.000 0.440 504 A N 1.351 124.129 122.820 -0.069 0.000 1.902 504 A HA -0.169 4.150 4.320 -0.000 0.000 0.217 504 A C 2.069 179.399 177.584 -0.424 0.000 1.181 504 A CA 1.178 53.003 52.037 -0.354 0.000 0.623 504 A CB -0.335 18.450 19.000 -0.358 0.000 0.818 504 A HN 0.217 nan 8.150 nan 0.000 0.443 505 R N -0.573 119.789 120.500 -0.230 0.000 2.081 505 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 505 R C 2.662 178.871 176.300 -0.151 0.000 1.131 505 R CA 1.520 57.520 56.100 -0.167 0.000 0.960 505 R CB -0.439 29.831 30.300 -0.050 0.000 0.856 505 R HN 0.588 nan 8.270 nan 0.000 0.436 506 S N 0.374 115.989 115.700 -0.141 0.000 2.348 506 S HA -0.103 4.367 4.470 -0.000 0.000 0.221 506 S C 2.082 176.586 174.600 -0.160 0.000 1.033 506 S CA 1.313 59.434 58.200 -0.131 0.000 1.010 506 S CB -0.170 62.934 63.200 -0.160 0.000 0.891 506 S HN 0.115 nan 8.310 nan 0.000 0.442 507 V N 2.620 122.388 119.914 -0.245 0.000 2.332 507 V HA -0.154 3.966 4.120 -0.000 0.000 0.248 507 V C 2.771 178.715 176.094 -0.249 0.000 1.055 507 V CA 2.294 64.436 62.300 -0.263 0.000 1.038 507 V CB -0.880 30.673 31.823 -0.450 0.000 0.651 507 V HN 0.539 nan 8.190 nan 0.000 0.450 508 R N 0.336 120.626 120.500 -0.350 0.000 2.083 508 R HA -0.182 4.157 4.340 -0.000 0.000 0.237 508 R C 2.309 178.566 176.300 -0.072 0.000 1.137 508 R CA 1.862 57.865 56.100 -0.162 0.000 0.951 508 R CB -0.521 29.680 30.300 -0.164 0.000 0.851 508 R HN 0.459 nan 8.270 nan 0.000 0.434 509 A N 1.086 123.855 122.820 -0.085 0.000 1.883 509 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 509 A C 2.223 179.791 177.584 -0.027 0.000 1.186 509 A CA 1.667 53.675 52.037 -0.048 0.000 0.624 509 A CB -0.469 18.502 19.000 -0.048 0.000 0.822 509 A HN 0.396 nan 8.150 nan 0.000 0.444 510 R N -0.637 119.845 120.500 -0.031 0.000 2.120 510 R HA -0.001 4.338 4.340 -0.000 0.000 0.234 510 R C 1.992 178.305 176.300 0.022 0.000 1.123 510 R CA 1.322 57.419 56.100 -0.006 0.000 0.975 510 R CB -0.441 29.853 30.300 -0.010 0.000 0.866 510 R HN 0.525 nan 8.270 nan 0.000 0.446 511 L N 0.147 121.391 121.223 0.034 0.000 2.072 511 L HA -0.122 4.218 4.340 -0.000 0.000 0.205 511 L C 2.128 179.030 176.870 0.053 0.000 1.079 511 L CA 0.992 55.876 54.840 0.073 0.000 0.752 511 L CB -0.316 41.811 42.059 0.113 0.000 0.906 511 L HN 0.191 nan 8.230 nan 0.000 0.436 512 L N -1.079 120.162 121.223 0.029 0.000 2.127 512 L HA -0.199 4.140 4.340 -0.000 0.000 0.211 512 L C 2.617 179.498 176.870 0.018 0.000 1.089 512 L CA 1.008 55.860 54.840 0.019 0.000 0.757 512 L CB -0.606 41.453 42.059 0.000 0.000 0.899 512 L HN 0.229 nan 8.230 nan 0.000 0.434 513 S N -0.755 114.955 115.700 0.016 0.000 2.387 513 S HA -0.143 4.327 4.470 -0.000 0.000 0.226 513 S C 1.910 176.524 174.600 0.023 0.000 1.026 513 S CA 0.833 59.042 58.200 0.015 0.000 0.972 513 S CB -0.136 63.070 63.200 0.010 0.000 0.814 513 S HN 0.445 nan 8.310 nan 0.000 0.477 514 Q N 0.659 120.479 119.800 0.034 0.000 2.197 514 Q HA 0.012 4.352 4.340 -0.000 0.000 0.207 514 Q C 1.490 177.513 176.000 0.039 0.000 0.984 514 Q CA 0.980 56.808 55.803 0.042 0.000 0.869 514 Q CB -0.713 28.062 28.738 0.061 0.000 0.906 514 Q HN 0.582 nan 8.270 nan 0.000 0.426 515 G N -0.400 108.423 108.800 0.038 0.000 2.698 515 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.233 515 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.233 515 G C 0.442 175.367 174.900 0.041 0.000 1.352 515 G CA 0.031 45.151 45.100 0.034 0.000 0.879 515 G HN 0.779 nan 8.290 nan 0.000 0.567 516 G N -0.752 108.069 108.800 0.034 0.000 2.602 516 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.306 516 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.306 516 G C 1.296 176.220 174.900 0.039 0.000 1.301 516 G CA 1.655 46.776 45.100 0.035 0.000 0.974 516 G HN 1.483 nan 8.290 nan 0.000 0.547 517 R N 0.253 120.778 120.500 0.042 0.000 2.081 517 R HA 0.037 4.377 4.340 -0.000 0.000 0.235 517 R C 3.208 179.550 176.300 0.070 0.000 1.131 517 R CA 1.849 57.976 56.100 0.045 0.000 0.960 517 R CB -0.734 29.597 30.300 0.052 0.000 0.856 517 R HN 0.697 nan 8.270 nan 0.000 0.436 518 A N 1.667 124.541 122.820 0.091 0.000 1.948 518 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 518 A C 2.426 180.069 177.584 0.099 0.000 1.177 518 A CA 1.907 54.018 52.037 0.123 0.000 0.636 518 A CB -0.591 18.480 19.000 0.117 0.000 0.815 518 A HN 0.411 nan 8.150 nan 0.000 0.449 519 A N -1.203 121.660 122.820 0.071 0.000 1.898 519 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 519 A C 2.290 179.914 177.584 0.067 0.000 1.181 519 A CA 2.207 54.279 52.037 0.059 0.000 0.620 519 A CB -1.228 17.799 19.000 0.045 0.000 0.819 519 A HN 0.439 nan 8.150 nan 0.000 0.442 520 T N -0.689 113.905 114.554 0.067 0.000 2.788 520 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 520 T C 1.893 176.628 174.700 0.058 0.000 1.044 520 T CA 1.539 63.691 62.100 0.087 0.000 1.139 520 T CB -0.711 68.140 68.868 -0.028 0.000 0.867 520 T HN 0.574 nan 8.240 nan 0.000 0.454 521 C N 1.342 120.650 119.300 0.013 0.000 2.413 521 C HA 0.005 4.465 4.460 -0.000 0.000 0.276 521 C C 3.122 178.063 174.990 -0.081 0.000 1.236 521 C CA 0.635 59.608 59.018 -0.075 0.000 1.735 521 C CB -1.516 26.211 27.740 -0.023 0.000 2.031 521 C HN 0.732 nan 8.230 nan 0.000 0.474 522 G N -0.100 108.734 108.800 0.057 0.000 2.418 522 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 522 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 522 G C 1.650 176.587 174.900 0.063 0.000 1.158 522 G CA 1.048 46.241 45.100 0.156 0.000 0.771 522 G HN 0.638 nan 8.290 nan 0.000 0.545 523 K N -0.773 119.631 120.400 0.007 0.000 2.025 523 K HA -0.087 4.232 4.320 -0.000 0.000 0.207 523 K C 2.212 178.664 176.600 -0.246 0.000 1.049 523 K CA 1.180 57.405 56.287 -0.102 0.000 0.933 523 K CB -0.257 32.182 32.500 -0.101 0.000 0.714 523 K HN 0.391 nan 8.250 nan 0.000 0.438 524 Y N 0.798 120.886 120.300 -0.355 0.000 2.231 524 Y HA 0.009 4.559 4.550 -0.001 0.000 0.294 524 Y C 2.080 177.642 175.900 -0.562 0.000 1.120 524 Y CA 0.692 58.398 58.100 -0.658 0.000 1.141 524 Y CB -0.189 37.546 38.460 -1.208 0.000 1.022 524 Y HN -0.056 nan 8.280 nan 0.000 0.523 525 L N -1.692 119.323 121.223 -0.346 0.000 2.141 525 L HA -0.141 4.198 4.340 -0.000 0.000 0.209 525 L C 0.629 177.191 176.870 -0.515 0.000 1.094 525 L CA 1.287 55.859 54.840 -0.447 0.000 0.763 525 L CB -0.340 41.160 42.059 -0.932 0.000 0.908 525 L HN 0.163 nan 8.230 nan 0.000 0.437 526 F N -1.527 118.354 119.950 -0.115 0.000 2.791 526 F HA 0.187 4.714 4.527 -0.001 0.000 0.308 526 F C 1.612 177.085 175.800 -0.545 0.000 1.138 526 F CA -0.416 57.318 58.000 -0.442 0.000 1.294 526 F CB -0.849 37.914 39.000 -0.395 0.000 0.975 526 F HN 0.021 nan 8.300 nan 0.000 0.512 527 N N 0.828 119.431 118.700 -0.161 0.000 2.381 527 N HA -0.152 4.588 4.740 -0.000 0.000 0.182 527 N C 1.834 177.305 175.510 -0.065 0.000 1.025 527 N CA 1.201 54.181 53.050 -0.116 0.000 0.888 527 N CB -0.018 38.421 38.487 -0.079 0.000 0.965 527 N HN 0.576 nan 8.380 nan 0.000 0.438 528 W N 0.120 121.476 121.300 0.092 0.000 2.595 528 W HA 0.137 4.797 4.660 0.000 0.000 0.257 528 W C 1.491 178.077 176.519 0.111 0.000 1.267 528 W CA 0.527 57.932 57.345 0.100 0.000 1.300 528 W CB -0.611 28.924 29.460 0.125 0.000 1.120 528 W HN -0.022 nan 8.180 nan 0.000 0.618 529 A N 1.938 124.393 122.820 -0.609 0.000 1.930 529 A HA 0.084 4.404 4.320 -0.000 0.000 0.215 529 A C 1.391 178.874 177.584 -0.168 0.000 1.176 529 A CA 1.260 52.997 52.037 -0.500 0.000 0.632 529 A CB -1.120 17.366 19.000 -0.855 0.000 0.819 529 A HN 0.113 nan 8.150 nan 0.000 0.445 530 V N -1.922 117.899 119.914 -0.155 0.000 2.924 530 V HA 0.237 4.356 4.120 -0.000 0.000 0.305 530 V C 1.157 177.231 176.094 -0.034 0.000 1.073 530 V CA 0.110 62.359 62.300 -0.084 0.000 1.098 530 V CB 0.988 32.758 31.823 -0.088 0.000 1.000 530 V HN 0.448 nan 8.190 nan 0.000 0.484 531 K N 1.337 121.721 120.400 -0.027 0.000 2.057 531 K HA -0.008 4.312 4.320 -0.000 0.000 0.206 531 K C 0.712 177.301 176.600 -0.019 0.000 1.050 531 K CA 1.387 57.666 56.287 -0.014 0.000 0.935 531 K CB -0.017 32.473 32.500 -0.016 0.000 0.715 531 K HN 0.878 nan 8.250 nan 0.000 0.439 532 T N 3.149 117.686 114.554 -0.029 0.000 2.929 532 T HA 0.189 4.538 4.350 -0.000 0.000 0.331 532 T C -0.860 173.817 174.700 -0.039 0.000 1.120 532 T CA -0.719 61.363 62.100 -0.031 0.000 0.973 532 T CB 1.045 69.894 68.868 -0.031 0.000 1.036 532 T HN 0.017 nan 8.240 nan 0.000 0.502 533 K N 2.472 122.851 120.400 -0.034 0.000 2.397 533 K HA 0.226 4.546 4.320 -0.000 0.000 0.265 533 K C 0.454 177.019 176.600 -0.059 0.000 0.982 533 K CA -0.387 55.875 56.287 -0.042 0.000 0.931 533 K CB 0.604 33.090 32.500 -0.023 0.000 0.943 533 K HN 0.338 nan 8.250 nan 0.000 0.501 534 L N 1.830 123.001 121.223 -0.088 0.000 2.544 534 L HA 0.168 4.508 4.340 -0.000 0.000 0.256 534 L C 2.038 178.843 176.870 -0.107 0.000 1.097 534 L CA -0.103 54.670 54.840 -0.111 0.000 0.812 534 L CB 0.645 42.601 42.059 -0.172 0.000 1.440 534 L HN 0.675 nan 8.230 nan 0.000 0.496 535 K N 0.299 120.631 120.400 -0.113 0.000 1.984 535 K HA -0.060 4.260 4.320 -0.000 0.000 0.209 535 K C -0.114 176.425 176.600 -0.102 0.000 1.046 535 K CA 0.378 56.614 56.287 -0.083 0.000 0.934 535 K CB 0.036 32.499 32.500 -0.063 0.000 0.717 535 K HN 0.289 nan 8.250 nan 0.000 0.438 536 L N 2.900 123.999 121.223 -0.206 0.000 2.939 536 L HA -0.117 4.223 4.340 -0.000 0.000 0.705 536 L C -0.684 176.193 176.870 0.010 0.000 1.098 536 L CA 1.016 55.711 54.840 -0.241 0.000 1.347 536 L CB -2.296 39.681 42.059 -0.137 0.000 1.956 536 L HN 0.861 nan 8.230 nan 0.000 0.922 537 T N -0.308 114.302 114.554 0.092 0.000 2.942 537 T HA 0.803 5.153 4.350 -0.000 0.000 0.289 537 T C -2.398 172.446 174.700 0.240 0.000 1.044 537 T CA -2.138 60.050 62.100 0.146 0.000 1.023 537 T CB 2.309 71.230 68.868 0.087 0.000 1.123 537 T HN 0.169 nan 8.240 nan 0.000 0.512 538 P HA 0.140 nan 4.420 nan 0.000 0.264 538 P C -0.617 176.726 177.300 0.072 0.000 1.179 538 P CA 0.074 63.241 63.100 0.112 0.000 0.763 538 P CB 0.167 31.908 31.700 0.068 0.000 0.806 539 I N 5.659 126.227 120.570 -0.003 0.000 2.312 539 I HA 0.132 4.302 4.170 -0.000 0.000 0.291 539 I C -1.262 174.831 176.117 -0.039 0.000 1.031 539 I CA -2.054 59.205 61.300 -0.070 0.000 1.293 539 I CB 1.327 39.205 38.000 -0.203 0.000 1.403 539 I HN 0.322 nan 8.210 nan 0.000 0.484 540 P HA -0.265 nan 4.420 nan 0.000 0.214 540 P C 1.320 178.604 177.300 -0.026 0.000 1.172 540 P CA 1.417 64.508 63.100 -0.015 0.000 0.925 540 P CB 0.228 31.924 31.700 -0.007 0.000 0.793 541 A N -0.883 121.917 122.820 -0.033 0.000 2.248 541 A HA 0.090 4.409 4.320 -0.000 0.000 0.210 541 A C 2.098 179.652 177.584 -0.049 0.000 1.174 541 A CA 1.262 53.278 52.037 -0.036 0.000 0.750 541 A CB -1.351 17.631 19.000 -0.031 0.000 0.780 541 A HN 0.208 nan 8.150 nan 0.000 0.478 542 A N 0.333 123.119 122.820 -0.056 0.000 2.067 542 A HA -0.028 4.291 4.320 -0.000 0.000 0.219 542 A C 2.315 179.855 177.584 -0.073 0.000 1.158 542 A CA 1.747 53.743 52.037 -0.068 0.000 0.661 542 A CB -0.601 18.362 19.000 -0.061 0.000 0.801 542 A HN 0.925 nan 8.150 nan 0.000 0.452 543 S N -0.876 114.790 115.700 -0.057 0.000 2.527 543 S HA -0.050 4.419 4.470 -0.000 0.000 0.222 543 S C 1.596 176.159 174.600 -0.062 0.000 0.985 543 S CA 0.671 58.837 58.200 -0.057 0.000 0.921 543 S CB -0.227 62.950 63.200 -0.039 0.000 0.772 543 S HN 0.690 nan 8.310 nan 0.000 0.529 544 Q N 0.667 120.431 119.800 -0.059 0.000 2.245 544 Q HA 0.237 4.576 4.340 -0.000 0.000 0.201 544 Q C 0.163 176.119 176.000 -0.073 0.000 0.955 544 Q CA 0.298 56.069 55.803 -0.054 0.000 0.870 544 Q CB -0.271 28.443 28.738 -0.039 0.000 0.945 544 Q HN 0.543 nan 8.270 nan 0.000 0.461 545 L N 2.160 123.322 121.223 -0.102 0.000 2.499 545 L HA 0.030 4.369 4.340 -0.000 0.000 0.273 545 L C 0.165 176.928 176.870 -0.179 0.000 1.195 545 L CA -0.140 54.611 54.840 -0.148 0.000 0.882 545 L CB 0.183 42.115 42.059 -0.212 0.000 1.133 545 L HN 0.024 nan 8.230 nan 0.000 0.483 546 D N 4.399 124.698 120.400 -0.168 0.000 2.467 546 D HA 0.258 4.898 4.640 -0.000 0.000 0.220 546 D C -0.123 176.023 176.300 -0.258 0.000 1.103 546 D CA -0.335 53.572 54.000 -0.156 0.000 0.886 546 D CB 1.107 41.861 40.800 -0.076 0.000 1.025 546 D HN 0.250 nan 8.370 nan 0.000 0.514 547 L N 2.956 123.961 121.223 -0.362 0.000 3.017 547 L HA 0.090 4.430 4.340 -0.000 0.000 0.255 547 L C 2.161 178.925 176.870 -0.176 0.000 1.247 547 L CA -0.076 54.422 54.840 -0.570 0.000 1.038 547 L CB 0.037 41.580 42.059 -0.861 0.000 1.380 547 L HN 0.268 nan 8.230 nan 0.000 0.548 548 S N -1.052 114.602 115.700 -0.077 0.000 2.383 548 S HA -0.112 4.357 4.470 -0.000 0.000 0.229 548 S C 1.730 176.362 174.600 0.053 0.000 1.030 548 S CA 1.232 59.429 58.200 -0.004 0.000 1.002 548 S CB -0.451 62.745 63.200 -0.007 0.000 0.829 548 S HN 0.436 nan 8.310 nan 0.000 0.467 549 G N -1.364 107.480 108.800 0.073 0.000 3.277 549 G HA2 0.252 4.212 3.960 -0.000 0.000 0.243 549 G HA3 0.252 4.212 3.960 -0.000 0.000 0.243 549 G C 0.538 175.531 174.900 0.155 0.000 1.107 549 G CA -0.419 44.731 45.100 0.083 0.000 0.771 549 G HN 0.431 nan 8.290 nan 0.000 0.544 550 W N 0.615 121.787 121.300 -0.213 0.000 2.363 550 W HA 0.224 4.883 4.660 -0.001 0.000 0.296 550 W C 0.196 176.235 176.519 -0.801 0.000 1.212 550 W CA 0.571 57.569 57.345 -0.579 0.000 1.260 550 W CB -0.118 28.853 29.460 -0.815 0.000 1.131 550 W HN 0.101 nan 8.180 nan 0.000 0.530 551 F N -0.941 119.158 119.950 0.249 0.000 2.622 551 F HA 0.304 4.831 4.527 -0.000 0.000 0.338 551 F C 0.380 176.305 175.800 0.208 0.000 1.334 551 F CA -0.597 57.553 58.000 0.251 0.000 1.179 551 F CB 0.094 39.206 39.000 0.188 0.000 1.471 551 F HN -0.420 nan 8.300 nan 0.000 0.576 552 V N 0.192 120.303 119.914 0.328 0.000 3.137 552 V HA 0.672 4.792 4.120 -0.000 0.000 0.236 552 V C 0.741 176.970 176.094 0.227 0.000 1.260 552 V CA 0.664 63.100 62.300 0.228 0.000 1.244 552 V CB 0.776 32.708 31.823 0.181 0.000 1.016 552 V HN 0.485 nan 8.190 nan 0.000 0.477 553 A N -0.778 122.133 122.820 0.151 0.000 2.599 553 A HA 0.757 5.077 4.320 -0.000 0.000 0.290 553 A C -0.312 176.909 177.584 -0.604 0.000 1.101 553 A CA 0.098 52.086 52.037 -0.082 0.000 0.674 553 A CB 0.828 19.664 19.000 -0.274 0.000 1.277 553 A HN 0.399 nan 8.150 nan 0.000 0.419 554 G N -1.364 106.744 108.800 -1.152 0.000 2.400 554 G HA2 0.535 4.494 3.960 -0.000 0.000 0.301 554 G HA3 0.535 4.494 3.960 -0.000 0.000 0.301 554 G C -0.833 173.406 174.900 -1.103 0.000 1.154 554 G CA -0.042 44.017 45.100 -1.736 0.000 0.852 554 G HN 0.619 nan 8.290 nan 0.000 0.511 555 Y N 0.540 120.640 120.300 -0.333 0.000 2.768 555 Y HA 0.284 4.834 4.550 -0.000 0.000 0.249 555 Y C 1.350 177.198 175.900 -0.086 0.000 1.146 555 Y CA -0.861 57.157 58.100 -0.137 0.000 1.171 555 Y CB 0.442 38.875 38.460 -0.045 0.000 1.249 555 Y HN 0.503 nan 8.280 nan 0.000 0.567 556 S N 0.949 116.643 115.700 -0.011 0.000 2.737 556 S HA 0.267 4.737 4.470 -0.000 0.000 0.315 556 S C 1.478 176.115 174.600 0.062 0.000 1.236 556 S CA 1.574 59.797 58.200 0.038 0.000 1.093 556 S CB -0.247 62.974 63.200 0.035 0.000 0.832 556 S HN 1.056 nan 8.310 nan 0.000 0.507 557 G N 3.704 112.542 108.800 0.063 0.000 2.184 557 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.264 557 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.264 557 G C 0.884 175.828 174.900 0.073 0.000 0.975 557 G CA 0.429 45.568 45.100 0.064 0.000 0.642 557 G HN 1.325 nan 8.290 nan 0.000 0.536 558 G N -0.045 108.810 108.800 0.091 0.000 2.848 558 G HA2 0.330 4.290 3.960 -0.000 0.000 0.208 558 G HA3 0.330 4.290 3.960 -0.000 0.000 0.208 558 G C 0.546 175.481 174.900 0.058 0.000 1.152 558 G CA 1.153 46.322 45.100 0.115 0.000 0.789 558 G HN 1.311 nan 8.290 nan 0.000 0.531 559 D N -0.673 119.730 120.400 0.005 0.000 2.697 559 D HA -0.162 4.478 4.640 -0.000 0.000 0.238 559 D C -0.166 176.075 176.300 -0.097 0.000 1.152 559 D CA 0.319 54.289 54.000 -0.051 0.000 0.666 559 D CB -1.113 39.663 40.800 -0.040 0.000 1.037 559 D HN 0.080 nan 8.370 nan 0.000 0.423 560 I N 1.383 121.868 120.570 -0.140 0.000 2.441 560 I HA 0.460 4.629 4.170 -0.000 0.000 0.295 560 I C 0.033 175.943 176.117 -0.345 0.000 0.994 560 I CA -0.763 60.354 61.300 -0.306 0.000 1.144 560 I CB 1.276 38.993 38.000 -0.472 0.000 1.314 560 I HN 0.163 nan 8.210 nan 0.000 0.445 561 Y N 5.500 125.402 120.300 -0.662 0.000 2.553 561 Y HA 0.611 5.161 4.550 -0.001 0.000 0.347 561 Y C -1.353 173.966 175.900 -0.968 0.000 1.019 561 Y CA -0.593 57.108 58.100 -0.664 0.000 1.032 561 Y CB 1.840 40.050 38.460 -0.418 0.000 1.284 561 Y HN 0.658 nan 8.280 nan 0.000 0.466 562 H N 1.001 119.154 119.070 -1.528 0.000 3.046 562 H HA 0.531 5.087 4.556 -0.001 0.000 0.363 562 H C -1.370 173.266 175.328 -1.154 0.000 1.203 562 H CA -0.941 54.419 56.048 -1.146 0.000 1.169 562 H CB 1.965 31.180 29.762 -0.912 0.000 1.851 562 H HN 0.570 nan 8.280 nan 0.000 0.546 563 S N 2.203 117.646 115.700 -0.428 0.000 2.456 563 S HA 0.307 4.777 4.470 -0.000 0.000 0.316 563 S C -0.517 174.099 174.600 0.028 0.000 1.089 563 S CA -0.919 57.177 58.200 -0.174 0.000 1.101 563 S CB 1.087 64.274 63.200 -0.021 0.000 0.995 563 S HN 0.485 nan 8.310 nan 0.000 0.468 564 L N 3.738 125.035 121.223 0.124 0.000 2.638 564 L HA 0.364 4.704 4.340 -0.000 0.000 0.273 564 L C 0.156 177.079 176.870 0.089 0.000 1.147 564 L CA 0.935 55.888 54.840 0.188 0.000 0.941 564 L CB -0.159 42.048 42.059 0.248 0.000 1.251 564 L HN 0.885 nan 8.230 nan 0.000 0.479 565 S N 5.065 120.800 115.700 0.058 0.000 2.536 565 S HA 0.704 5.173 4.470 -0.000 0.000 0.298 565 S C 0.097 174.696 174.600 -0.001 0.000 1.083 565 S CA -0.844 57.371 58.200 0.026 0.000 0.995 565 S CB 1.120 64.333 63.200 0.023 0.000 1.058 565 S HN 0.738 nan 8.310 nan 0.000 0.488 566 R N 0.000 120.495 120.500 -0.008 0.000 2.786 566 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 566 R CA 0.000 56.086 56.100 -0.024 0.000 0.921 566 R CB 0.000 30.288 30.300 -0.020 0.000 0.687 566 R HN 0.000 nan 8.270 nan 0.000 0.535