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 2onm_1_B DATA FIRST_RESID 7 DATA SEQUENCE AVPAPNQQPE VFCNQIFINN EWHDAVSRKT FPTVNPSTGE VICQVAEGDK DATA SEQUENCE EDVDKAVKAA RAAFQLGSPW RRMDASHRGR LLNRLADLIE RDRTYLAALE DATA SEQUENCE TLDNGKPYVI SYLVDLDMVL KCLRYYAGWA DKYHGKTIPI DGDFFSYTRH DATA SEQUENCE EPVGVCGQII PWNFPLLMQA WKLGPALATG NVVVMKVAEQ TPLTALYVAN DATA SEQUENCE LIKEAGFPPG VVNIVPGFGP TAGAAIASHE DVDKVAFTGS TEIGRVIQVA DATA SEQUENCE AGSSNLKRVT LELGGKSPNI IMSDADMDWA VEQAHFALFF NQGQCCCAGS DATA SEQUENCE RTFVQEDIYD EFVERSVARA KSRVVGNPFD SKTEQGPQVD ETQFKKILGY DATA SEQUENCE INTGKQEGAK LLCGGGIAAD RGYFIQPTVF GDVQDGMTIA KEEIFGPVMQ DATA SEQUENCE ILKFKTIEEV VGRANNSTYG LAAAVFTKDL DKANYLSQAL QAGTVWVNCY DATA SEQUENCE DVFGAQSPFG GYKMSGSGRE LGEYGLQAYT KVKTVTVKVP QKNS 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 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.581 177.584 -0.005 0.000 1.274 7 A CA 0.000 52.053 52.037 0.028 0.000 0.836 7 A CB 0.000 19.033 19.000 0.055 0.000 0.831 8 V N 1.380 121.252 119.914 -0.070 0.000 2.384 8 V HA 0.478 4.645 4.120 0.078 0.000 0.287 8 V C -2.079 173.900 176.094 -0.192 0.000 1.020 8 V CA -1.528 60.617 62.300 -0.259 0.000 0.850 8 V CB 1.093 32.798 31.823 -0.198 0.000 0.987 8 V HN 0.519 nan 8.190 nan 0.000 0.436 9 P HA 0.289 nan 4.420 nan 0.000 0.269 9 P C -0.165 177.143 177.300 0.012 0.000 1.215 9 P CA -0.120 62.928 63.100 -0.087 0.000 0.780 9 P CB 0.474 32.136 31.700 -0.063 0.000 0.898 10 A N 3.700 126.519 122.820 -0.001 0.000 2.488 10 A HA 0.356 4.722 4.320 0.078 0.000 0.249 10 A C -1.708 175.807 177.584 -0.115 0.000 1.083 10 A CA -0.714 51.301 52.037 -0.038 0.000 0.768 10 A CB -1.006 17.967 19.000 -0.046 0.000 1.017 10 A HN 0.441 nan 8.150 nan 0.000 0.496 11 P HA 0.179 nan 4.420 nan 0.000 0.279 11 P C -0.911 176.152 177.300 -0.395 0.000 1.252 11 P CA -0.714 62.040 63.100 -0.576 0.000 0.811 11 P CB 0.818 31.754 31.700 -1.274 0.000 1.035 12 N N 1.491 119.996 118.700 -0.325 0.000 2.462 12 N HA 0.040 4.826 4.740 0.078 0.000 0.242 12 N C 0.790 175.989 175.510 -0.518 0.000 1.010 12 N CA 0.013 52.894 53.050 -0.282 0.000 0.939 12 N CB 0.394 38.814 38.487 -0.111 0.000 1.127 12 N HN 0.243 nan 8.380 nan 0.000 0.509 13 Q N 1.479 120.852 119.800 -0.710 0.000 2.541 13 Q HA -0.019 4.367 4.340 0.078 0.000 0.215 13 Q C -0.271 175.314 176.000 -0.692 0.000 0.977 13 Q CA 0.878 55.944 55.803 -1.227 0.000 0.934 13 Q CB 0.305 28.490 28.738 -0.922 0.000 0.988 13 Q HN 0.617 nan 8.270 nan 0.000 0.521 14 Q N 0.772 120.348 119.800 -0.373 0.000 3.180 14 Q HA 0.243 4.629 4.340 0.078 0.000 0.317 14 Q C -2.521 173.406 176.000 -0.122 0.000 0.824 14 Q CA -1.307 54.378 55.803 -0.196 0.000 0.926 14 Q CB 1.432 30.078 28.738 -0.153 0.000 1.487 14 Q HN 0.167 nan 8.270 nan 0.000 0.389 15 P HA -0.007 nan 4.420 nan 0.000 0.268 15 P C 0.049 177.374 177.300 0.041 0.000 1.205 15 P CA 0.168 63.291 63.100 0.039 0.000 0.771 15 P CB 1.161 32.870 31.700 0.014 0.000 0.858 16 E N 1.120 121.352 120.200 0.053 0.000 2.383 16 E HA 0.184 4.581 4.350 0.078 0.000 0.264 16 E C -0.304 176.205 176.600 -0.153 0.000 1.050 16 E CA -0.436 55.855 56.400 -0.183 0.000 0.896 16 E CB 0.787 30.191 29.700 -0.493 0.000 0.982 16 E HN 0.193 nan 8.360 nan 0.000 0.424 17 V N 4.089 123.853 119.914 -0.250 0.000 2.357 17 V HA 0.138 4.305 4.120 0.078 0.000 0.284 17 V C 0.245 176.190 176.094 -0.248 0.000 1.018 17 V CA -0.240 61.995 62.300 -0.108 0.000 0.841 17 V CB 0.502 32.282 31.823 -0.072 0.000 0.991 17 V HN 0.582 nan 8.190 nan 0.000 0.437 18 F N 1.858 121.824 119.950 0.028 0.000 2.582 18 F HA 0.212 4.786 4.527 0.078 0.000 0.290 18 F C 1.061 176.735 175.800 -0.209 0.000 1.115 18 F CA -0.003 57.970 58.000 -0.045 0.000 1.445 18 F CB 0.217 39.247 39.000 0.050 0.000 1.126 18 F HN 0.368 nan 8.300 nan 0.000 0.574 19 C N 1.867 121.154 119.300 -0.022 0.000 2.369 19 C HA 0.481 4.988 4.460 0.078 0.000 0.322 19 C C 0.365 175.174 174.990 -0.302 0.000 1.258 19 C CA -0.808 57.938 59.018 -0.454 0.000 1.487 19 C CB 0.627 28.081 27.740 -0.477 0.000 2.165 19 C HN 0.556 nan 8.230 nan 0.000 0.483 20 N N 0.849 119.333 118.700 -0.361 0.000 2.228 20 N HA 0.045 4.831 4.740 0.078 0.000 0.237 20 N C -0.496 174.964 175.510 -0.082 0.000 1.382 20 N CA -0.278 52.670 53.050 -0.169 0.000 0.787 20 N CB -0.099 38.291 38.487 -0.162 0.000 1.320 20 N HN 0.794 nan 8.380 nan 0.000 0.507 21 Q N -0.037 119.759 119.800 -0.008 0.000 2.990 21 Q HA 0.591 4.977 4.340 0.078 0.000 0.255 21 Q C -0.509 175.772 176.000 0.469 0.000 1.040 21 Q CA -0.972 54.968 55.803 0.229 0.000 0.897 21 Q CB 1.768 30.674 28.738 0.280 0.000 1.429 21 Q HN 0.123 nan 8.270 nan 0.000 0.497 22 I N 1.095 121.929 120.570 0.439 0.000 2.396 22 I HA 0.194 4.410 4.170 0.078 0.000 0.292 22 I C -0.899 175.435 176.117 0.361 0.000 0.999 22 I CA -0.189 61.336 61.300 0.375 0.000 1.310 22 I CB 0.580 38.744 38.000 0.273 0.000 1.404 22 I HN 0.364 nan 8.210 nan 0.000 0.496 23 F N 8.130 128.087 119.950 0.013 0.000 2.361 23 F HA 0.634 5.208 4.527 0.077 0.000 0.364 23 F C -0.614 175.074 175.800 -0.187 0.000 1.117 23 F CA -0.391 57.391 58.000 -0.363 0.000 1.071 23 F CB 0.451 39.102 39.000 -0.582 0.000 1.188 23 F HN 0.173 nan 8.300 nan 0.000 0.464 24 I N 5.527 125.811 120.570 -0.476 0.000 2.607 24 I HA 0.203 4.420 4.170 0.078 0.000 0.290 24 I C -0.412 175.452 176.117 -0.422 0.000 1.129 24 I CA -1.069 60.063 61.300 -0.280 0.000 1.042 24 I CB 1.907 39.910 38.000 0.005 0.000 1.242 24 I HN 0.495 nan 8.210 nan 0.000 0.421 25 N N 4.781 123.263 118.700 -0.362 0.000 2.716 25 N HA -0.249 4.537 4.740 0.078 0.000 0.250 25 N C 0.038 175.268 175.510 -0.467 0.000 1.033 25 N CA 1.331 54.199 53.050 -0.303 0.000 0.727 25 N CB -1.036 37.366 38.487 -0.143 0.000 0.950 25 N HN 0.927 nan 8.380 nan 0.000 0.541 26 N N -1.740 116.435 118.700 -0.875 0.000 2.708 26 N HA -0.217 4.569 4.740 0.078 0.000 0.251 26 N C -1.050 173.946 175.510 -0.856 0.000 1.123 26 N CA 1.017 53.517 53.050 -0.917 0.000 0.739 26 N CB -0.210 38.098 38.487 -0.298 0.000 1.113 26 N HN 0.457 nan 8.380 nan 0.000 0.561 27 E N -0.461 119.126 120.200 -1.022 0.000 2.312 27 E HA 0.307 4.703 4.350 0.078 0.000 0.267 27 E C -0.714 175.282 176.600 -1.007 0.000 0.894 27 E CA -0.447 55.480 56.400 -0.788 0.000 0.773 27 E CB 0.895 30.248 29.700 -0.579 0.000 1.241 27 E HN 0.141 nan 8.360 nan 0.000 0.432 28 W N 1.840 122.867 121.300 -0.454 0.000 2.361 28 W HA 0.279 4.986 4.660 0.078 0.000 0.309 28 W C 0.516 176.787 176.519 -0.414 0.000 1.122 28 W CA -0.308 56.868 57.345 -0.282 0.000 1.208 28 W CB 0.835 30.262 29.460 -0.054 0.000 1.246 28 W HN 0.266 nan 8.180 nan 0.000 0.490 29 H N 1.550 120.776 119.070 0.260 0.000 2.821 29 H HA 0.262 4.864 4.556 0.077 0.000 0.373 29 H C -0.551 174.874 175.328 0.161 0.000 1.165 29 H CA -0.858 55.282 56.048 0.153 0.000 1.154 29 H CB 1.646 31.452 29.762 0.075 0.000 1.765 29 H HN 0.286 nan 8.280 nan 0.000 0.549 30 D N 0.452 121.001 120.400 0.249 0.000 2.329 30 D HA 0.325 5.012 4.640 0.078 0.000 0.246 30 D C 0.439 176.832 176.300 0.155 0.000 1.111 30 D CA -0.424 53.676 54.000 0.167 0.000 0.941 30 D CB 1.505 42.376 40.800 0.118 0.000 1.169 30 D HN 0.595 nan 8.370 nan 0.000 0.441 31 A N 0.830 123.730 122.820 0.134 0.000 2.466 31 A HA 0.088 4.455 4.320 0.078 0.000 0.238 31 A C 1.534 179.171 177.584 0.089 0.000 1.074 31 A CA -0.423 51.686 52.037 0.119 0.000 0.774 31 A CB 0.338 19.416 19.000 0.129 0.000 1.015 31 A HN 0.421 nan 8.150 nan 0.000 0.498 32 V N 2.060 122.016 119.914 0.069 0.000 2.392 32 V HA -0.240 3.926 4.120 0.078 0.000 0.249 32 V C 2.734 178.860 176.094 0.054 0.000 1.059 32 V CA 2.750 65.078 62.300 0.048 0.000 1.051 32 V CB -0.834 31.009 31.823 0.034 0.000 0.658 32 V HN 1.129 nan 8.190 nan 0.000 0.455 33 S N -0.853 114.886 115.700 0.066 0.000 2.481 33 S HA -0.112 4.404 4.470 0.078 0.000 0.231 33 S C 1.334 175.974 174.600 0.068 0.000 0.996 33 S CA 0.622 58.861 58.200 0.065 0.000 0.942 33 S CB -0.198 63.049 63.200 0.077 0.000 0.768 33 S HN 0.596 nan 8.310 nan 0.000 0.520 34 R N -0.286 120.259 120.500 0.075 0.000 3.922 34 R HA -0.121 4.266 4.340 0.078 0.000 0.447 34 R C -0.569 175.779 176.300 0.080 0.000 1.035 34 R CA 1.260 57.403 56.100 0.072 0.000 1.289 34 R CB -2.027 28.307 30.300 0.057 0.000 1.906 34 R HN 0.519 nan 8.270 nan 0.000 0.540 35 K N 1.400 121.859 120.400 0.099 0.000 2.276 35 K HA 0.207 4.574 4.320 0.078 0.000 0.259 35 K C 0.697 177.380 176.600 0.138 0.000 1.001 35 K CA 0.933 57.292 56.287 0.121 0.000 0.927 35 K CB 0.626 33.214 32.500 0.147 0.000 0.969 35 K HN 0.229 nan 8.250 nan 0.000 0.490 36 T N -0.999 113.640 114.554 0.142 0.000 2.916 36 T HA 0.617 5.013 4.350 0.078 0.000 0.305 36 T C -0.851 173.957 174.700 0.180 0.000 1.119 36 T CA -1.072 61.089 62.100 0.101 0.000 1.008 36 T CB 0.637 69.501 68.868 -0.008 0.000 1.129 36 T HN 0.459 nan 8.240 nan 0.000 0.480 37 F N 0.163 120.149 119.950 0.059 0.000 2.561 37 F HA 0.924 5.498 4.527 0.077 0.000 0.321 37 F C -2.975 172.849 175.800 0.039 0.000 1.065 37 F CA -2.993 55.062 58.000 0.091 0.000 0.934 37 F CB 1.472 40.526 39.000 0.090 0.000 1.215 37 F HN 0.418 nan 8.300 nan 0.000 0.471 38 P HA 0.196 nan 4.420 nan 0.000 0.286 38 P C -1.069 176.278 177.300 0.078 0.000 1.261 38 P CA -0.260 62.845 63.100 0.008 0.000 0.821 38 P CB 2.004 33.748 31.700 0.072 0.000 1.013 39 T N 1.470 116.009 114.554 -0.024 0.000 2.779 39 T HA 0.402 4.799 4.350 0.078 0.000 0.280 39 T C -0.526 174.189 174.700 0.026 0.000 0.987 39 T CA -0.499 61.624 62.100 0.039 0.000 0.966 39 T CB 0.225 69.086 68.868 -0.011 0.000 0.933 39 T HN 0.075 nan 8.240 nan 0.000 0.442 40 V N 5.714 125.656 119.914 0.045 0.000 2.617 40 V HA 0.420 4.587 4.120 0.078 0.000 0.298 40 V C 0.616 176.720 176.094 0.016 0.000 1.048 40 V CA -1.055 61.266 62.300 0.035 0.000 0.964 40 V CB 1.581 33.447 31.823 0.072 0.000 1.004 40 V HN 0.943 nan 8.190 nan 0.000 0.466 41 N N 5.193 123.893 118.700 -0.001 0.000 2.415 41 N HA 0.234 5.020 4.740 0.078 0.000 0.246 41 N C -1.514 173.964 175.510 -0.055 0.000 1.078 41 N CA -1.512 51.526 53.050 -0.019 0.000 0.942 41 N CB 1.400 39.882 38.487 -0.009 0.000 1.140 41 N HN 0.415 nan 8.380 nan 0.000 0.501 42 P HA -0.081 nan 4.420 nan 0.000 0.228 42 P C 0.468 177.559 177.300 -0.348 0.000 1.151 42 P CA 0.894 63.938 63.100 -0.093 0.000 0.770 42 P CB 0.360 32.043 31.700 -0.028 0.000 0.786 43 S N -0.635 114.930 115.700 -0.225 0.000 2.446 43 S HA -0.029 4.488 4.470 0.078 0.000 0.225 43 S C 1.810 176.384 174.600 -0.044 0.000 1.016 43 S CA 1.700 59.820 58.200 -0.135 0.000 0.943 43 S CB -0.503 62.722 63.200 0.043 0.000 0.786 43 S HN 0.449 nan 8.310 nan 0.000 0.508 44 T N -3.334 111.149 114.554 -0.118 0.000 2.958 44 T HA 0.461 4.858 4.350 0.078 0.000 0.256 44 T C 1.453 176.041 174.700 -0.186 0.000 0.983 44 T CA 0.834 62.872 62.100 -0.105 0.000 0.924 44 T CB 0.451 69.293 68.868 -0.044 0.000 1.136 44 T HN 0.476 nan 8.240 nan 0.000 0.506 45 G N 1.525 110.175 108.800 -0.249 0.000 2.179 45 G HA2 -0.205 3.801 3.960 0.078 0.000 0.260 45 G HA3 -0.205 3.801 3.960 0.078 0.000 0.260 45 G C -0.148 174.709 174.900 -0.072 0.000 0.977 45 G CA 0.152 45.121 45.100 -0.218 0.000 0.641 45 G HN 0.612 nan 8.290 nan 0.000 0.533 46 E N -0.020 120.144 120.200 -0.059 0.000 2.319 46 E HA 0.475 4.871 4.350 0.078 0.000 0.268 46 E C 0.602 177.194 176.600 -0.014 0.000 1.050 46 E CA -0.640 55.742 56.400 -0.030 0.000 0.878 46 E CB 1.824 31.505 29.700 -0.032 0.000 1.066 46 E HN 0.120 nan 8.360 nan 0.000 0.406 47 V N 3.805 123.714 119.914 -0.008 0.000 2.521 47 V HA -0.002 4.165 4.120 0.078 0.000 0.286 47 V C 1.664 177.744 176.094 -0.022 0.000 1.034 47 V CA 0.333 62.629 62.300 -0.007 0.000 1.045 47 V CB 0.362 32.183 31.823 -0.004 0.000 0.974 47 V HN 0.606 nan 8.190 nan 0.000 0.480 48 I N 4.136 124.690 120.570 -0.026 0.000 2.235 48 I HA 0.017 4.233 4.170 0.078 0.000 0.241 48 I C 0.995 177.079 176.117 -0.055 0.000 1.085 48 I CA 1.340 62.618 61.300 -0.036 0.000 1.378 48 I CB 0.167 38.148 38.000 -0.030 0.000 1.076 48 I HN 0.869 nan 8.210 nan 0.000 0.415 49 C N -2.187 117.071 119.300 -0.070 0.000 3.211 49 C HA 0.528 5.035 4.460 0.078 0.000 0.350 49 C C -1.001 173.910 174.990 -0.131 0.000 1.413 49 C CA -1.113 57.849 59.018 -0.093 0.000 1.203 49 C CB 1.136 28.814 27.740 -0.104 0.000 1.506 49 C HN 0.178 nan 8.230 nan 0.000 0.448 50 Q N 0.403 120.117 119.800 -0.144 0.000 2.230 50 Q HA 0.815 5.202 4.340 0.078 0.000 0.253 50 Q C -0.737 175.093 176.000 -0.282 0.000 0.919 50 Q CA -0.310 55.377 55.803 -0.192 0.000 0.908 50 Q CB 1.659 30.328 28.738 -0.114 0.000 1.245 50 Q HN 0.789 nan 8.270 nan 0.000 0.437 51 V N 1.758 121.371 119.914 -0.501 0.000 2.709 51 V HA 0.721 4.888 4.120 0.078 0.000 0.308 51 V C -0.599 175.251 176.094 -0.406 0.000 1.062 51 V CA -1.330 60.647 62.300 -0.538 0.000 0.901 51 V CB 1.836 33.133 31.823 -0.878 0.000 1.003 51 V HN 0.923 nan 8.190 nan 0.000 0.425 52 A N 2.611 125.364 122.820 -0.112 0.000 2.548 52 A HA 0.182 4.548 4.320 0.078 0.000 0.247 52 A C 0.409 178.115 177.584 0.203 0.000 1.067 52 A CA 0.264 52.336 52.037 0.058 0.000 0.757 52 A CB -0.124 18.947 19.000 0.117 0.000 0.996 52 A HN 0.900 nan 8.150 nan 0.000 0.504 53 E N 3.036 123.400 120.200 0.273 0.000 1.936 53 E HA 0.347 4.743 4.350 0.078 0.000 0.267 53 E C 0.691 177.422 176.600 0.218 0.000 1.076 53 E CA -0.254 56.358 56.400 0.353 0.000 0.870 53 E CB 0.190 30.130 29.700 0.400 0.000 1.093 53 E HN 0.802 nan 8.360 nan 0.000 0.411 54 G N 3.330 112.240 108.800 0.184 0.000 2.527 54 G HA2 0.075 4.081 3.960 0.078 0.000 0.248 54 G HA3 0.075 4.081 3.960 0.078 0.000 0.248 54 G C -0.301 174.674 174.900 0.126 0.000 1.231 54 G CA -0.210 44.976 45.100 0.142 0.000 0.838 54 G HN 0.576 nan 8.290 nan 0.000 0.570 55 D N -0.858 119.608 120.400 0.110 0.000 2.867 55 D HA 0.211 4.898 4.640 0.078 0.000 0.308 55 D C 1.190 177.541 176.300 0.086 0.000 1.202 55 D CA -0.807 53.253 54.000 0.101 0.000 1.035 55 D CB 1.397 42.256 40.800 0.098 0.000 1.427 55 D HN 0.194 nan 8.370 nan 0.000 0.570 56 K N 0.283 120.728 120.400 0.076 0.000 2.077 56 K HA -0.207 4.159 4.320 0.078 0.000 0.213 56 K C 1.528 178.173 176.600 0.076 0.000 1.051 56 K CA 1.675 58.007 56.287 0.074 0.000 0.929 56 K CB -0.055 32.477 32.500 0.053 0.000 0.715 56 K HN 0.390 nan 8.250 nan 0.000 0.451 57 E N 0.015 120.251 120.200 0.062 0.000 2.150 57 E HA -0.152 4.245 4.350 0.078 0.000 0.193 57 E C 1.643 178.273 176.600 0.050 0.000 0.985 57 E CA 0.983 57.414 56.400 0.052 0.000 0.814 57 E CB 0.039 29.763 29.700 0.040 0.000 0.752 57 E HN 0.390 nan 8.360 nan 0.000 0.466 58 D N 0.369 120.805 120.400 0.059 0.000 2.162 58 D HA -0.090 4.597 4.640 0.078 0.000 0.203 58 D C 2.136 178.467 176.300 0.053 0.000 0.967 58 D CA 0.730 54.763 54.000 0.056 0.000 0.840 58 D CB 0.103 40.952 40.800 0.081 0.000 0.972 58 D HN 0.043 nan 8.370 nan 0.000 0.482 59 V N 2.034 121.988 119.914 0.067 0.000 2.343 59 V HA -0.212 3.955 4.120 0.078 0.000 0.247 59 V C 2.045 178.165 176.094 0.043 0.000 1.051 59 V CA 1.633 63.968 62.300 0.057 0.000 1.036 59 V CB -0.402 31.475 31.823 0.090 0.000 0.654 59 V HN 0.036 nan 8.190 nan 0.000 0.451 60 D N 0.131 120.592 120.400 0.102 0.000 2.123 60 D HA -0.171 4.515 4.640 0.078 0.000 0.196 60 D C 2.284 178.618 176.300 0.057 0.000 0.992 60 D CA 1.365 55.453 54.000 0.147 0.000 0.833 60 D CB -0.152 40.730 40.800 0.137 0.000 0.954 60 D HN 0.437 nan 8.370 nan 0.000 0.455 61 K N 0.384 120.797 120.400 0.021 0.000 2.097 61 K HA -0.005 4.362 4.320 0.078 0.000 0.205 61 K C 2.105 178.687 176.600 -0.030 0.000 1.050 61 K CA 0.966 57.244 56.287 -0.016 0.000 0.938 61 K CB 0.012 32.485 32.500 -0.046 0.000 0.718 61 K HN 0.011 nan 8.250 nan 0.000 0.442 62 A N 0.976 123.781 122.820 -0.026 0.000 1.873 62 A HA -0.106 4.261 4.320 0.078 0.000 0.215 62 A C 2.347 179.890 177.584 -0.069 0.000 1.186 62 A CA 1.260 53.275 52.037 -0.037 0.000 0.616 62 A CB -0.655 18.336 19.000 -0.015 0.000 0.823 62 A HN 0.054 nan 8.150 nan 0.000 0.442 63 V N 0.232 120.073 119.914 -0.121 0.000 2.392 63 V HA -0.289 3.878 4.120 0.078 0.000 0.249 63 V C 2.468 178.502 176.094 -0.100 0.000 1.059 63 V CA 2.392 64.575 62.300 -0.196 0.000 1.051 63 V CB -0.679 30.829 31.823 -0.524 0.000 0.658 63 V HN 0.535 nan 8.190 nan 0.000 0.455 64 K N -0.024 120.347 120.400 -0.049 0.000 2.057 64 K HA -0.117 4.249 4.320 0.078 0.000 0.207 64 K C 2.305 178.903 176.600 -0.004 0.000 1.049 64 K CA 1.460 57.744 56.287 -0.004 0.000 0.931 64 K CB -0.378 32.128 32.500 0.010 0.000 0.714 64 K HN 0.482 nan 8.250 nan 0.000 0.440 65 A N 1.276 124.083 122.820 -0.023 0.000 1.930 65 A HA -0.081 4.285 4.320 0.078 0.000 0.217 65 A C 2.315 179.893 177.584 -0.010 0.000 1.175 65 A CA 1.732 53.755 52.037 -0.024 0.000 0.627 65 A CB -0.578 18.391 19.000 -0.051 0.000 0.815 65 A HN 0.336 nan 8.150 nan 0.000 0.443 66 A N -0.051 122.756 122.820 -0.021 0.000 1.877 66 A HA -0.136 4.230 4.320 0.078 0.000 0.216 66 A C 2.175 179.797 177.584 0.063 0.000 1.186 66 A CA 2.070 54.104 52.037 -0.006 0.000 0.620 66 A CB -0.450 18.523 19.000 -0.046 0.000 0.822 66 A HN 0.450 nan 8.150 nan 0.000 0.443 67 R N 0.333 120.863 120.500 0.050 0.000 2.105 67 R HA -0.052 4.335 4.340 0.078 0.000 0.239 67 R C 2.060 178.453 176.300 0.156 0.000 1.135 67 R CA 1.978 58.145 56.100 0.111 0.000 0.967 67 R CB -0.864 29.479 30.300 0.071 0.000 0.861 67 R HN 0.399 nan 8.270 nan 0.000 0.442 68 A N 0.106 122.986 122.820 0.099 0.000 1.898 68 A HA 0.025 4.392 4.320 0.078 0.000 0.216 68 A C 2.337 179.990 177.584 0.115 0.000 1.181 68 A CA 1.596 53.686 52.037 0.089 0.000 0.620 68 A CB -0.991 18.039 19.000 0.050 0.000 0.819 68 A HN 0.467 nan 8.150 nan 0.000 0.442 69 A N -2.050 120.844 122.820 0.124 0.000 2.067 69 A HA 0.039 4.406 4.320 0.078 0.000 0.219 69 A C 1.766 179.516 177.584 0.275 0.000 1.158 69 A CA 1.286 53.414 52.037 0.151 0.000 0.661 69 A CB -0.549 18.499 19.000 0.080 0.000 0.801 69 A HN 0.597 nan 8.150 nan 0.000 0.452 70 F N 0.278 120.308 119.950 0.134 0.000 2.765 70 F HA 0.190 4.762 4.527 0.075 0.000 0.302 70 F C 0.709 176.585 175.800 0.126 0.000 1.111 70 F CA -0.177 57.928 58.000 0.176 0.000 1.359 70 F CB 0.151 39.240 39.000 0.149 0.000 1.097 70 F HN 0.091 nan 8.300 nan 0.000 0.577 71 Q N 1.656 121.511 119.800 0.093 0.000 2.330 71 Q HA 0.030 4.417 4.340 0.078 0.000 0.279 71 Q C -0.237 175.724 176.000 -0.065 0.000 1.024 71 Q CA -0.126 55.689 55.803 0.020 0.000 0.900 71 Q CB 0.841 29.612 28.738 0.054 0.000 1.221 71 Q HN 0.238 nan 8.270 nan 0.000 0.396 72 L N 1.889 123.063 121.223 -0.082 0.000 2.601 72 L HA 0.085 4.472 4.340 0.078 0.000 0.277 72 L C 1.249 178.092 176.870 -0.045 0.000 1.219 72 L CA 2.172 56.958 54.840 -0.090 0.000 0.915 72 L CB -0.028 41.997 42.059 -0.057 0.000 1.160 72 L HN 0.934 nan 8.230 nan 0.000 0.494 73 G N 1.860 110.631 108.800 -0.047 0.000 2.194 73 G HA2 -0.269 3.737 3.960 0.078 0.000 0.236 73 G HA3 -0.269 3.737 3.960 0.078 0.000 0.236 73 G C 0.355 175.256 174.900 0.000 0.000 0.987 73 G CA 0.273 45.361 45.100 -0.019 0.000 0.635 73 G HN 1.086 nan 8.290 nan 0.000 0.520 74 S N 0.737 116.442 115.700 0.009 0.000 2.589 74 S HA 0.547 5.063 4.470 0.078 0.000 0.265 74 S C -0.530 174.118 174.600 0.079 0.000 1.342 74 S CA -0.109 58.124 58.200 0.054 0.000 1.005 74 S CB 1.856 65.108 63.200 0.087 0.000 0.909 74 S HN 0.005 nan 8.310 nan 0.000 0.555 75 P HA -0.111 nan 4.420 nan 0.000 0.216 75 P C 1.286 178.718 177.300 0.220 0.000 1.153 75 P CA 1.286 64.468 63.100 0.137 0.000 0.858 75 P CB -0.129 31.658 31.700 0.144 0.000 0.789 76 W N 0.124 121.452 121.300 0.048 0.000 2.388 76 W HA -0.152 4.556 4.660 0.080 0.000 0.294 76 W C 1.707 178.248 176.519 0.037 0.000 1.212 76 W CA 0.697 58.085 57.345 0.072 0.000 1.271 76 W CB -0.084 29.447 29.460 0.118 0.000 1.126 76 W HN -0.151 nan 8.180 nan 0.000 0.535 77 R N 0.294 120.814 120.500 0.033 0.000 2.115 77 R HA -0.039 4.348 4.340 0.078 0.000 0.226 77 R C 2.060 178.280 176.300 -0.133 0.000 1.100 77 R CA 0.982 56.991 56.100 -0.151 0.000 0.980 77 R CB -0.711 29.480 30.300 -0.181 0.000 0.875 77 R HN 0.312 nan 8.270 nan 0.000 0.445 78 R N -0.258 120.203 120.500 -0.064 0.000 2.210 78 R HA 0.176 4.562 4.340 0.078 0.000 0.203 78 R C 1.101 177.367 176.300 -0.057 0.000 1.010 78 R CA -0.201 55.867 56.100 -0.053 0.000 1.008 78 R CB 0.006 30.292 30.300 -0.024 0.000 0.923 78 R HN 0.113 nan 8.270 nan 0.000 0.469 79 M N 2.248 121.815 119.600 -0.056 0.000 2.251 79 M HA -0.060 4.466 4.480 0.078 0.000 0.343 79 M C -0.724 175.533 176.300 -0.071 0.000 1.245 79 M CA 0.449 55.724 55.300 -0.041 0.000 1.061 79 M CB 0.513 33.115 32.600 0.004 0.000 1.723 79 M HN -0.070 nan 8.290 nan 0.000 0.449 80 D N 3.956 124.340 120.400 -0.025 0.000 2.455 80 D HA 0.081 4.768 4.640 0.078 0.000 0.241 80 D C 0.832 177.122 176.300 -0.016 0.000 1.138 80 D CA 0.530 54.521 54.000 -0.015 0.000 0.877 80 D CB 1.083 41.887 40.800 0.007 0.000 1.187 80 D HN 0.759 nan 8.370 nan 0.000 0.451 81 A N 2.438 125.240 122.820 -0.030 0.000 1.940 81 A HA -0.225 4.142 4.320 0.078 0.000 0.219 81 A C 2.117 179.702 177.584 0.001 0.000 1.176 81 A CA 2.202 54.220 52.037 -0.032 0.000 0.631 81 A CB -0.588 18.413 19.000 0.003 0.000 0.814 81 A HN 0.596 nan 8.150 nan 0.000 0.446 82 S N -1.282 114.433 115.700 0.025 0.000 2.419 82 S HA -0.234 4.283 4.470 0.078 0.000 0.233 82 S C 1.844 176.475 174.600 0.053 0.000 1.016 82 S CA 1.573 59.794 58.200 0.035 0.000 0.974 82 S CB -0.658 62.565 63.200 0.038 0.000 0.786 82 S HN 0.718 nan 8.310 nan 0.000 0.492 83 H N 1.761 120.807 119.070 -0.040 0.000 2.428 83 H HA 0.236 4.838 4.556 0.077 0.000 0.296 83 H C 2.283 177.583 175.328 -0.047 0.000 1.062 83 H CA 1.407 57.429 56.048 -0.043 0.000 1.350 83 H CB -0.105 29.629 29.762 -0.047 0.000 1.403 83 H HN 0.355 nan 8.280 nan 0.000 0.533 84 R N -0.722 119.725 120.500 -0.087 0.000 2.105 84 R HA -0.086 4.301 4.340 0.078 0.000 0.239 84 R C 2.487 178.773 176.300 -0.024 0.000 1.135 84 R CA 1.117 57.173 56.100 -0.074 0.000 0.967 84 R CB -0.565 29.679 30.300 -0.094 0.000 0.861 84 R HN 0.417 nan 8.270 nan 0.000 0.442 85 G N 1.152 109.943 108.800 -0.015 0.000 2.408 85 G HA2 -0.228 3.778 3.960 0.078 0.000 0.217 85 G HA3 -0.228 3.778 3.960 0.078 0.000 0.217 85 G C 1.462 176.343 174.900 -0.033 0.000 1.150 85 G CA 0.167 45.275 45.100 0.013 0.000 0.776 85 G HN 0.125 nan 8.290 nan 0.000 0.542 86 R N 0.201 120.634 120.500 -0.113 0.000 2.081 86 R HA 0.077 4.464 4.340 0.078 0.000 0.235 86 R C 2.632 178.817 176.300 -0.192 0.000 1.131 86 R CA 0.551 56.567 56.100 -0.141 0.000 0.960 86 R CB -1.073 29.122 30.300 -0.176 0.000 0.856 86 R HN 0.395 nan 8.270 nan 0.000 0.436 87 L N 0.424 121.437 121.223 -0.350 0.000 2.017 87 L HA -0.166 4.220 4.340 0.078 0.000 0.208 87 L C 2.545 179.367 176.870 -0.080 0.000 1.073 87 L CA 1.173 55.751 54.840 -0.437 0.000 0.745 87 L CB -0.528 40.934 42.059 -0.995 0.000 0.894 87 L HN 0.125 nan 8.230 nan 0.000 0.432 88 L N -0.280 121.006 121.223 0.106 0.000 2.083 88 L HA -0.231 4.155 4.340 0.078 0.000 0.209 88 L C 2.373 179.342 176.870 0.165 0.000 1.083 88 L CA 1.046 56.051 54.840 0.274 0.000 0.752 88 L CB -0.514 41.700 42.059 0.258 0.000 0.899 88 L HN 0.361 nan 8.230 nan 0.000 0.433 89 N N -0.281 118.470 118.700 0.087 0.000 2.244 89 N HA -0.180 4.606 4.740 0.078 0.000 0.183 89 N C 1.943 177.491 175.510 0.063 0.000 1.016 89 N CA 0.824 53.914 53.050 0.067 0.000 0.866 89 N CB -0.151 38.356 38.487 0.033 0.000 0.980 89 N HN 0.139 nan 8.380 nan 0.000 0.430 90 R N 1.098 121.627 120.500 0.049 0.000 2.090 90 R HA 0.043 4.429 4.340 0.078 0.000 0.228 90 R C 1.919 178.277 176.300 0.097 0.000 1.110 90 R CA 0.630 56.761 56.100 0.051 0.000 0.973 90 R CB -0.945 29.361 30.300 0.011 0.000 0.869 90 R HN 0.162 nan 8.270 nan 0.000 0.440 91 L N 0.290 121.607 121.223 0.157 0.000 2.046 91 L HA 0.077 4.463 4.340 0.078 0.000 0.208 91 L C 2.020 178.961 176.870 0.118 0.000 1.077 91 L CA 2.184 57.126 54.840 0.171 0.000 0.747 91 L CB -1.052 41.154 42.059 0.244 0.000 0.896 91 L HN 0.235 nan 8.230 nan 0.000 0.432 92 A N -0.840 122.049 122.820 0.115 0.000 1.902 92 A HA -0.208 4.158 4.320 0.078 0.000 0.217 92 A C 1.995 179.626 177.584 0.079 0.000 1.181 92 A CA 1.817 53.911 52.037 0.096 0.000 0.623 92 A CB -0.791 18.267 19.000 0.097 0.000 0.818 92 A HN 0.525 nan 8.150 nan 0.000 0.443 93 D N 0.124 120.568 120.400 0.074 0.000 2.117 93 D HA -0.116 4.570 4.640 0.078 0.000 0.197 93 D C 1.960 178.302 176.300 0.070 0.000 0.987 93 D CA 1.046 55.084 54.000 0.064 0.000 0.829 93 D CB -0.341 40.492 40.800 0.055 0.000 0.961 93 D HN 0.457 nan 8.370 nan 0.000 0.460 94 L N 0.415 121.684 121.223 0.076 0.000 2.056 94 L HA -0.105 4.281 4.340 0.078 0.000 0.207 94 L C 2.538 179.473 176.870 0.108 0.000 1.078 94 L CA 0.656 55.545 54.840 0.082 0.000 0.749 94 L CB -0.252 41.851 42.059 0.072 0.000 0.901 94 L HN 0.012 nan 8.230 nan 0.000 0.433 95 I N -0.270 120.364 120.570 0.106 0.000 2.315 95 I HA -0.281 3.936 4.170 0.078 0.000 0.248 95 I C 2.563 178.739 176.117 0.098 0.000 1.117 95 I CA 1.257 62.628 61.300 0.119 0.000 1.404 95 I CB -0.159 37.898 38.000 0.096 0.000 1.071 95 I HN 0.331 nan 8.210 nan 0.000 0.419 96 E N 1.128 121.373 120.200 0.074 0.000 2.152 96 E HA -0.243 4.154 4.350 0.078 0.000 0.192 96 E C 2.380 179.028 176.600 0.079 0.000 0.983 96 E CA 0.692 57.124 56.400 0.054 0.000 0.818 96 E CB 0.039 29.766 29.700 0.044 0.000 0.758 96 E HN 0.263 nan 8.360 nan 0.000 0.467 97 R N 0.455 121.008 120.500 0.089 0.000 2.081 97 R HA -0.132 4.254 4.340 0.078 0.000 0.235 97 R C 0.436 176.809 176.300 0.120 0.000 1.131 97 R CA 1.811 57.968 56.100 0.094 0.000 0.960 97 R CB 0.011 30.360 30.300 0.081 0.000 0.856 97 R HN 0.120 nan 8.270 nan 0.000 0.436 98 D N -0.000 120.489 120.400 0.149 0.000 2.460 98 D HA 0.012 4.699 4.640 0.078 0.000 0.229 98 D C 1.136 177.562 176.300 0.211 0.000 1.170 98 D CA -0.028 54.090 54.000 0.195 0.000 0.827 98 D CB 0.168 41.128 40.800 0.266 0.000 0.973 98 D HN 0.255 nan 8.370 nan 0.000 0.496 99 R N 0.810 121.408 120.500 0.164 0.000 2.083 99 R HA -0.172 4.215 4.340 0.078 0.000 0.237 99 R C 2.079 178.530 176.300 0.250 0.000 1.137 99 R CA 2.127 58.300 56.100 0.121 0.000 0.951 99 R CB -0.222 30.078 30.300 0.001 0.000 0.851 99 R HN 0.232 nan 8.270 nan 0.000 0.434 100 T N -1.810 112.979 114.554 0.392 0.000 2.821 100 T HA -0.210 4.186 4.350 0.078 0.000 0.267 100 T C 1.851 176.778 174.700 0.378 0.000 1.046 100 T CA 1.283 63.680 62.100 0.494 0.000 1.139 100 T CB -0.582 68.519 68.868 0.388 0.000 0.871 100 T HN 0.476 nan 8.240 nan 0.000 0.454 101 Y N 1.961 122.354 120.300 0.156 0.000 2.133 101 Y HA 0.107 4.704 4.550 0.077 0.000 0.287 101 Y C 2.113 178.045 175.900 0.053 0.000 1.134 101 Y CA 1.047 59.185 58.100 0.064 0.000 1.133 101 Y CB -0.621 37.814 38.460 -0.041 0.000 0.987 101 Y HN 0.178 nan 8.280 nan 0.000 0.502 102 L N 0.074 121.212 121.223 -0.142 0.000 2.079 102 L HA -0.241 4.145 4.340 0.078 0.000 0.210 102 L C 2.804 179.624 176.870 -0.084 0.000 1.081 102 L CA 1.285 55.996 54.840 -0.215 0.000 0.752 102 L CB -0.964 41.095 42.059 0.000 0.000 0.896 102 L HN 0.398 nan 8.230 nan 0.000 0.433 103 A N -0.174 122.699 122.820 0.089 0.000 1.902 103 A HA -0.179 4.187 4.320 0.078 0.000 0.217 103 A C 2.520 180.288 177.584 0.306 0.000 1.181 103 A CA 1.749 53.893 52.037 0.178 0.000 0.623 103 A CB -0.705 18.441 19.000 0.242 0.000 0.818 103 A HN 0.412 nan 8.150 nan 0.000 0.443 104 A N -0.566 122.469 122.820 0.358 0.000 1.877 104 A HA -0.028 4.339 4.320 0.078 0.000 0.216 104 A C 2.111 179.788 177.584 0.154 0.000 1.186 104 A CA 1.714 53.954 52.037 0.339 0.000 0.620 104 A CB -0.653 18.409 19.000 0.103 0.000 0.822 104 A HN 0.636 nan 8.150 nan 0.000 0.443 105 L N -0.046 121.093 121.223 -0.140 0.000 2.079 105 L HA -0.154 4.232 4.340 0.078 0.000 0.210 105 L C 2.236 179.068 176.870 -0.064 0.000 1.081 105 L CA 2.703 57.429 54.840 -0.191 0.000 0.752 105 L CB -0.682 41.097 42.059 -0.466 0.000 0.896 105 L HN 0.518 nan 8.230 nan 0.000 0.433 106 E N -1.157 119.016 120.200 -0.045 0.000 2.077 106 E HA -0.182 4.214 4.350 0.078 0.000 0.193 106 E C 2.056 178.634 176.600 -0.037 0.000 0.989 106 E CA 1.967 58.351 56.400 -0.027 0.000 0.800 106 E CB -0.337 29.354 29.700 -0.017 0.000 0.746 106 E HN 0.474 nan 8.360 nan 0.000 0.452 107 T N 0.585 115.124 114.554 -0.025 0.000 2.777 107 T HA -0.109 4.287 4.350 0.078 0.000 0.266 107 T C 1.680 176.294 174.700 -0.143 0.000 1.040 107 T CA 1.071 63.073 62.100 -0.163 0.000 1.141 107 T CB -0.330 68.326 68.868 -0.352 0.000 0.868 107 T HN 0.104 nan 8.240 nan 0.000 0.444 108 L N 1.324 122.578 121.223 0.052 0.000 2.042 108 L HA -0.092 4.294 4.340 0.078 0.000 0.210 108 L C 2.023 178.903 176.870 0.016 0.000 1.076 108 L CA 1.867 56.777 54.840 0.118 0.000 0.749 108 L CB -0.408 41.746 42.059 0.159 0.000 0.893 108 L HN 0.095 nan 8.230 nan 0.000 0.432 109 D N -1.737 118.660 120.400 -0.005 0.000 2.213 109 D HA -0.131 4.555 4.640 0.078 0.000 0.205 109 D C 1.877 178.156 176.300 -0.034 0.000 0.961 109 D CA 0.710 54.702 54.000 -0.013 0.000 0.853 109 D CB 0.068 40.868 40.800 -0.000 0.000 0.967 109 D HN 0.427 nan 8.370 nan 0.000 0.496 110 N N -0.763 117.902 118.700 -0.057 0.000 2.482 110 N HA -0.009 4.778 4.740 0.078 0.000 0.179 110 N C 1.348 176.781 175.510 -0.128 0.000 1.039 110 N CA 1.538 54.543 53.050 -0.076 0.000 0.884 110 N CB 0.932 39.378 38.487 -0.069 0.000 1.113 110 N HN 0.223 nan 8.380 nan 0.000 0.440 111 G N 1.564 110.271 108.800 -0.154 0.000 2.213 111 G HA2 -0.260 3.746 3.960 0.078 0.000 0.226 111 G HA3 -0.260 3.746 3.960 0.078 0.000 0.226 111 G C -0.042 174.733 174.900 -0.208 0.000 0.992 111 G CA 0.417 45.399 45.100 -0.198 0.000 0.632 111 G HN 0.701 nan 8.290 nan 0.000 0.511 112 K N 0.932 121.210 120.400 -0.203 0.000 2.319 112 K HA 0.480 4.846 4.320 0.078 0.000 0.265 112 K C -2.644 173.853 176.600 -0.173 0.000 1.000 112 K CA -1.234 54.932 56.287 -0.201 0.000 0.943 112 K CB 0.459 32.816 32.500 -0.239 0.000 0.950 112 K HN 0.068 nan 8.250 nan 0.000 0.485 113 P HA -0.109 nan 4.420 nan 0.000 0.265 113 P C -0.368 176.912 177.300 -0.033 0.000 1.193 113 P CA -0.018 63.041 63.100 -0.070 0.000 0.765 113 P CB 0.136 31.832 31.700 -0.007 0.000 0.823 114 Y N 4.731 124.938 120.300 -0.155 0.000 2.165 114 Y HA -0.258 4.339 4.550 0.078 0.000 0.286 114 Y C 1.832 177.774 175.900 0.069 0.000 1.155 114 Y CA 1.789 59.864 58.100 -0.043 0.000 1.164 114 Y CB -0.906 37.590 38.460 0.061 0.000 0.978 114 Y HN 0.081 nan 8.280 nan 0.000 0.513 115 V N 0.375 120.279 119.914 -0.015 0.000 2.332 115 V HA -0.339 3.827 4.120 0.078 0.000 0.248 115 V C 2.395 178.477 176.094 -0.019 0.000 1.055 115 V CA 1.866 64.126 62.300 -0.066 0.000 1.038 115 V CB -0.678 31.173 31.823 0.047 0.000 0.651 115 V HN 0.429 nan 8.190 nan 0.000 0.450 116 I N -0.140 120.447 120.570 0.028 0.000 2.252 116 I HA -0.143 4.073 4.170 0.078 0.000 0.245 116 I C 2.592 178.742 176.117 0.056 0.000 1.102 116 I CA 1.465 62.819 61.300 0.091 0.000 1.385 116 I CB -1.392 36.677 38.000 0.114 0.000 1.064 116 I HN 0.276 nan 8.210 nan 0.000 0.414 117 S N 0.067 115.761 115.700 -0.012 0.000 2.370 117 S HA -0.236 4.280 4.470 0.078 0.000 0.226 117 S C 2.034 176.615 174.600 -0.030 0.000 1.033 117 S CA 1.411 59.601 58.200 -0.016 0.000 1.011 117 S CB -0.468 62.724 63.200 -0.014 0.000 0.852 117 S HN 0.471 nan 8.310 nan 0.000 0.457 118 Y N 1.454 121.597 120.300 -0.262 0.000 2.206 118 Y HA 0.092 4.690 4.550 0.079 0.000 0.292 118 Y C 1.896 177.732 175.900 -0.106 0.000 1.123 118 Y CA 1.256 59.207 58.100 -0.248 0.000 1.142 118 Y CB -0.143 38.015 38.460 -0.504 0.000 1.006 118 Y HN 0.112 nan 8.280 nan 0.000 0.518 119 L N -1.285 120.004 121.223 0.110 0.000 2.270 119 L HA -0.078 4.309 4.340 0.078 0.000 0.210 119 L C 1.632 178.531 176.870 0.048 0.000 1.104 119 L CA 0.460 55.352 54.840 0.088 0.000 0.804 119 L CB -0.142 41.996 42.059 0.132 0.000 0.937 119 L HN 0.175 nan 8.230 nan 0.000 0.450 120 V N -1.290 118.670 119.914 0.076 0.000 2.784 120 V HA -0.036 4.131 4.120 0.078 0.000 0.231 120 V C 1.629 177.773 176.094 0.083 0.000 1.128 120 V CA 0.758 63.126 62.300 0.114 0.000 1.178 120 V CB -0.290 31.676 31.823 0.238 0.000 0.943 120 V HN 0.150 nan 8.190 nan 0.000 0.500 121 D N 0.889 121.348 120.400 0.097 0.000 2.108 121 D HA -0.205 4.481 4.640 0.078 0.000 0.190 121 D C 1.994 178.291 176.300 -0.005 0.000 0.995 121 D CA 1.719 55.754 54.000 0.059 0.000 0.834 121 D CB -0.340 40.505 40.800 0.075 0.000 0.967 121 D HN 0.209 nan 8.370 nan 0.000 0.446 122 L N 0.138 121.334 121.223 -0.046 0.000 2.131 122 L HA -0.150 4.237 4.340 0.078 0.000 0.210 122 L C 1.860 178.684 176.870 -0.076 0.000 1.092 122 L CA 1.239 56.031 54.840 -0.079 0.000 0.759 122 L CB -0.282 41.684 42.059 -0.155 0.000 0.903 122 L HN 0.037 nan 8.230 nan 0.000 0.435 123 D N -0.509 119.843 120.400 -0.080 0.000 2.117 123 D HA -0.213 4.473 4.640 0.078 0.000 0.198 123 D C 2.255 178.563 176.300 0.013 0.000 0.982 123 D CA 1.400 55.373 54.000 -0.045 0.000 0.828 123 D CB 0.062 40.845 40.800 -0.029 0.000 0.967 123 D HN 0.195 nan 8.370 nan 0.000 0.464 124 M N -0.412 119.205 119.600 0.028 0.000 2.229 124 M HA -0.088 4.439 4.480 0.078 0.000 0.264 124 M C 2.175 178.529 176.300 0.089 0.000 1.063 124 M CA 0.543 55.883 55.300 0.068 0.000 1.114 124 M CB 0.011 32.644 32.600 0.055 0.000 1.387 124 M HN 0.007 nan 8.290 nan 0.000 0.420 125 V N 1.115 121.055 119.914 0.045 0.000 2.295 125 V HA -0.249 3.918 4.120 0.078 0.000 0.246 125 V C 2.319 178.472 176.094 0.098 0.000 1.049 125 V CA 1.618 63.956 62.300 0.064 0.000 1.024 125 V CB -0.531 31.306 31.823 0.025 0.000 0.648 125 V HN 0.448 nan 8.190 nan 0.000 0.447 126 L N -0.603 120.661 121.223 0.068 0.000 2.046 126 L HA -0.206 4.180 4.340 0.078 0.000 0.208 126 L C 2.542 179.476 176.870 0.107 0.000 1.077 126 L CA 1.726 56.612 54.840 0.076 0.000 0.747 126 L CB -0.653 41.430 42.059 0.039 0.000 0.896 126 L HN 0.278 nan 8.230 nan 0.000 0.432 127 K N -0.872 119.593 120.400 0.107 0.000 2.097 127 K HA -0.171 4.195 4.320 0.078 0.000 0.205 127 K C 2.296 179.006 176.600 0.184 0.000 1.050 127 K CA 1.399 57.760 56.287 0.124 0.000 0.938 127 K CB -0.375 32.182 32.500 0.095 0.000 0.718 127 K HN 0.372 nan 8.250 nan 0.000 0.442 128 C N 1.117 120.551 119.300 0.224 0.000 2.462 128 C HA -0.029 4.478 4.460 0.078 0.000 0.278 128 C C 2.414 177.646 174.990 0.403 0.000 1.253 128 C CA 0.547 59.766 59.018 0.336 0.000 1.713 128 C CB -0.869 27.125 27.740 0.425 0.000 2.049 128 C HN 0.388 nan 8.230 nan 0.000 0.477 129 L N 0.333 121.734 121.223 0.297 0.000 2.046 129 L HA -0.104 4.283 4.340 0.078 0.000 0.208 129 L C 2.984 180.000 176.870 0.244 0.000 1.077 129 L CA 1.657 56.661 54.840 0.272 0.000 0.747 129 L CB -0.689 41.483 42.059 0.188 0.000 0.896 129 L HN 0.321 nan 8.230 nan 0.000 0.432 130 R N -1.312 119.302 120.500 0.191 0.000 2.115 130 R HA -0.196 4.191 4.340 0.078 0.000 0.230 130 R C 2.258 178.632 176.300 0.122 0.000 1.111 130 R CA 1.460 57.642 56.100 0.136 0.000 0.976 130 R CB -0.379 29.983 30.300 0.105 0.000 0.870 130 R HN 0.294 nan 8.270 nan 0.000 0.445 131 Y N -0.084 120.234 120.300 0.031 0.000 2.133 131 Y HA -0.232 4.361 4.550 0.071 0.000 0.287 131 Y C 1.592 177.443 175.900 -0.082 0.000 1.134 131 Y CA 1.441 59.493 58.100 -0.079 0.000 1.133 131 Y CB -0.355 38.019 38.460 -0.144 0.000 0.987 131 Y HN -0.009 nan 8.280 nan 0.000 0.502 132 Y N -0.207 120.214 120.300 0.203 0.000 2.421 132 Y HA -0.124 4.471 4.550 0.075 0.000 0.292 132 Y C 2.554 178.507 175.900 0.088 0.000 1.136 132 Y CA 0.719 58.915 58.100 0.161 0.000 1.255 132 Y CB -0.473 38.113 38.460 0.209 0.000 0.991 132 Y HN 0.287 nan 8.280 nan 0.000 0.552 133 A N 0.064 122.991 122.820 0.178 0.000 1.933 133 A HA -0.149 4.218 4.320 0.078 0.000 0.218 133 A C 2.519 180.116 177.584 0.021 0.000 1.175 133 A CA 1.732 53.837 52.037 0.113 0.000 0.628 133 A CB -1.386 17.664 19.000 0.084 0.000 0.814 133 A HN 0.460 nan 8.150 nan 0.000 0.444 134 G N -2.326 106.411 108.800 -0.105 0.000 2.443 134 G HA2 -0.211 3.795 3.960 0.078 0.000 0.219 134 G HA3 -0.211 3.795 3.960 0.078 0.000 0.219 134 G C 1.324 176.061 174.900 -0.272 0.000 1.131 134 G CA 0.689 45.645 45.100 -0.239 0.000 0.775 134 G HN 0.683 nan 8.290 nan 0.000 0.547 135 W N 0.562 121.741 121.300 -0.200 0.000 2.770 135 W HA 0.317 5.000 4.660 0.038 0.000 0.256 135 W C 2.724 179.219 176.519 -0.040 0.000 1.291 135 W CA 0.135 57.392 57.345 -0.147 0.000 1.396 135 W CB 0.324 29.695 29.460 -0.148 0.000 1.114 135 W HN 0.245 nan 8.180 nan 0.000 0.637 136 A N 1.143 124.094 122.820 0.218 0.000 1.940 136 A HA -0.289 4.077 4.320 0.078 0.000 0.221 136 A C 1.283 178.940 177.584 0.122 0.000 1.190 136 A CA 2.428 54.556 52.037 0.152 0.000 0.647 136 A CB -0.800 18.256 19.000 0.093 0.000 0.821 136 A HN 0.362 nan 8.150 nan 0.000 0.457 137 D N -2.443 118.011 120.400 0.090 0.000 2.670 137 D HA 0.227 4.913 4.640 0.078 0.000 0.255 137 D C 0.397 176.724 176.300 0.046 0.000 1.286 137 D CA -0.109 53.932 54.000 0.069 0.000 0.830 137 D CB -0.007 40.819 40.800 0.043 0.000 1.065 137 D HN 0.468 nan 8.370 nan 0.000 0.486 138 K N -0.542 119.899 120.400 0.067 0.000 2.520 138 K HA 0.054 4.421 4.320 0.078 0.000 0.206 138 K C -0.525 176.003 176.600 -0.119 0.000 1.122 138 K CA -0.523 55.693 56.287 -0.119 0.000 1.045 138 K CB 0.866 33.303 32.500 -0.106 0.000 0.932 138 K HN -0.024 nan 8.250 nan 0.000 0.571 139 Y N 2.986 123.263 120.300 -0.038 0.000 2.691 139 Y HA 0.172 4.758 4.550 0.059 0.000 0.338 139 Y C -0.368 175.509 175.900 -0.039 0.000 1.148 139 Y CA -1.288 56.811 58.100 -0.002 0.000 1.430 139 Y CB -0.848 37.642 38.460 0.049 0.000 1.303 139 Y HN 0.075 nan 8.280 nan 0.000 0.499 140 H N 1.426 120.475 119.070 -0.035 0.000 2.690 140 H HA 0.441 5.027 4.556 0.050 0.000 0.365 140 H C 0.830 175.818 175.328 -0.567 0.000 1.142 140 H CA 0.119 56.047 56.048 -0.200 0.000 1.417 140 H CB 0.924 30.636 29.762 -0.083 0.000 1.446 140 H HN 0.751 nan 8.280 nan 0.000 0.599 141 G N 0.583 109.144 108.800 -0.398 0.000 2.568 141 G HA2 0.478 4.485 3.960 0.078 0.000 0.293 141 G HA3 0.478 4.485 3.960 0.078 0.000 0.293 141 G C -0.831 173.925 174.900 -0.240 0.000 1.347 141 G CA -0.850 43.875 45.100 -0.625 0.000 1.039 141 G HN 0.532 nan 8.290 nan 0.000 0.523 142 K N -0.802 119.516 120.400 -0.136 0.000 2.395 142 K HA 0.563 4.929 4.320 0.078 0.000 0.247 142 K C -0.929 175.690 176.600 0.032 0.000 0.973 142 K CA -0.714 55.551 56.287 -0.037 0.000 0.828 142 K CB 2.134 34.624 32.500 -0.017 0.000 1.272 142 K HN 0.590 nan 8.250 nan 0.000 0.439 143 T N -0.863 113.730 114.554 0.064 0.000 2.772 143 T HA 0.548 4.944 4.350 0.078 0.000 0.288 143 T C -0.029 174.737 174.700 0.111 0.000 0.994 143 T CA -0.739 61.448 62.100 0.144 0.000 0.951 143 T CB -0.115 68.889 68.868 0.228 0.000 0.933 143 T HN 0.364 nan 8.240 nan 0.000 0.447 144 I N 5.330 125.956 120.570 0.094 0.000 2.359 144 I HA 0.338 4.555 4.170 0.078 0.000 0.294 144 I C -1.772 174.405 176.117 0.099 0.000 0.987 144 I CA -2.778 58.564 61.300 0.070 0.000 1.225 144 I CB 1.985 40.001 38.000 0.027 0.000 1.366 144 I HN 0.462 nan 8.210 nan 0.000 0.466 145 P HA 0.148 nan 4.420 nan 0.000 0.230 145 P C -0.054 177.295 177.300 0.082 0.000 1.791 145 P CA 0.081 63.235 63.100 0.090 0.000 1.020 145 P CB 0.105 31.844 31.700 0.065 0.000 1.977 146 I N 0.924 121.552 120.570 0.097 0.000 2.779 146 I HA 0.078 4.294 4.170 0.078 0.000 0.285 146 I C 0.206 176.399 176.117 0.127 0.000 1.134 146 I CA -0.115 61.237 61.300 0.086 0.000 1.398 146 I CB 0.686 38.724 38.000 0.064 0.000 1.404 146 I HN 0.009 nan 8.210 nan 0.000 0.587 147 D N 4.637 125.104 120.400 0.111 0.000 2.368 147 D HA 0.440 5.127 4.640 0.078 0.000 0.240 147 D C 0.354 176.805 176.300 0.252 0.000 1.169 147 D CA 1.205 55.285 54.000 0.132 0.000 0.906 147 D CB 0.896 41.752 40.800 0.094 0.000 1.187 147 D HN 0.967 nan 8.370 nan 0.000 0.435 148 G N 1.302 110.219 108.800 0.196 0.000 2.796 148 G HA2 -0.184 3.822 3.960 0.078 0.000 0.571 148 G HA3 -0.184 3.822 3.960 0.078 0.000 0.571 148 G C -0.799 174.091 174.900 -0.016 0.000 1.370 148 G CA -0.740 44.466 45.100 0.177 0.000 0.856 148 G HN 0.512 nan 8.290 nan 0.000 0.538 149 D N 0.938 121.084 120.400 -0.425 0.000 2.608 149 D HA 0.464 5.151 4.640 0.078 0.000 0.224 149 D C -0.077 175.750 176.300 -0.790 0.000 1.123 149 D CA 0.992 54.709 54.000 -0.472 0.000 1.030 149 D CB -0.434 40.134 40.800 -0.386 0.000 1.093 149 D HN 0.270 nan 8.370 nan 0.000 0.497 150 F N 0.430 120.426 119.950 0.078 0.000 2.599 150 F HA 0.389 4.962 4.527 0.076 0.000 0.311 150 F C -0.403 175.518 175.800 0.201 0.000 1.076 150 F CA -1.457 56.608 58.000 0.110 0.000 0.937 150 F CB 1.797 40.834 39.000 0.063 0.000 1.282 150 F HN -0.121 nan 8.300 nan 0.000 0.460 151 F N 2.192 122.292 119.950 0.251 0.000 2.403 151 F HA 0.632 5.204 4.527 0.074 0.000 0.355 151 F C -0.618 175.310 175.800 0.214 0.000 1.119 151 F CA -1.134 56.982 58.000 0.193 0.000 1.007 151 F CB 1.100 40.202 39.000 0.169 0.000 1.194 151 F HN 0.250 nan 8.300 nan 0.000 0.443 152 S N 7.001 122.703 115.700 0.003 0.000 2.473 152 S HA 0.773 5.290 4.470 0.078 0.000 0.307 152 S C -1.308 173.158 174.600 -0.223 0.000 1.094 152 S CA -0.280 57.798 58.200 -0.204 0.000 1.070 152 S CB 0.489 63.643 63.200 -0.076 0.000 1.019 152 S HN 0.669 nan 8.310 nan 0.000 0.480 153 Y N 0.378 120.420 120.300 -0.430 0.000 2.644 153 Y HA 0.816 5.410 4.550 0.072 0.000 0.338 153 Y C -0.509 175.272 175.900 -0.198 0.000 1.119 153 Y CA -1.088 56.824 58.100 -0.313 0.000 1.060 153 Y CB 0.969 39.178 38.460 -0.418 0.000 1.294 153 Y HN 0.520 nan 8.280 nan 0.000 0.472 154 T N -0.418 114.156 114.554 0.033 0.000 2.876 154 T HA 0.742 5.138 4.350 0.078 0.000 0.289 154 T C -0.949 173.766 174.700 0.025 0.000 1.014 154 T CA -1.069 61.016 62.100 -0.025 0.000 0.986 154 T CB 1.915 70.774 68.868 -0.016 0.000 1.021 154 T HN 0.824 nan 8.240 nan 0.000 0.458 155 R N 0.905 121.433 120.500 0.045 0.000 2.562 155 R HA 0.397 4.784 4.340 0.078 0.000 0.298 155 R C -0.575 175.816 176.300 0.152 0.000 0.961 155 R CA -0.766 55.371 56.100 0.062 0.000 0.881 155 R CB 1.392 31.750 30.300 0.097 0.000 1.159 155 R HN 0.735 nan 8.270 nan 0.000 0.450 156 H N 1.911 120.986 119.070 0.008 0.000 2.741 156 H HA 0.148 4.739 4.556 0.059 0.000 0.282 156 H C -0.388 174.988 175.328 0.080 0.000 1.122 156 H CA -0.440 55.620 56.048 0.020 0.000 1.293 156 H CB 1.054 30.779 29.762 -0.062 0.000 1.415 156 H HN 0.357 nan 8.280 nan 0.000 0.472 157 E N 4.284 124.603 120.200 0.200 0.000 2.250 157 E HA 0.229 4.625 4.350 0.078 0.000 0.269 157 E C -2.440 174.281 176.600 0.203 0.000 1.018 157 E CA -2.270 54.234 56.400 0.174 0.000 0.873 157 E CB 1.192 30.978 29.700 0.144 0.000 1.134 157 E HN 0.382 nan 8.360 nan 0.000 0.403 158 P HA -0.060 nan 4.420 nan 0.000 0.272 158 P C 0.507 177.959 177.300 0.254 0.000 1.223 158 P CA -0.008 63.275 63.100 0.304 0.000 0.784 158 P CB 0.717 32.719 31.700 0.503 0.000 0.923 159 V N 1.601 121.601 119.914 0.143 0.000 2.548 159 V HA 0.090 4.257 4.120 0.078 0.000 0.249 159 V C 1.134 177.177 176.094 -0.086 0.000 1.055 159 V CA 2.638 64.967 62.300 0.047 0.000 1.065 159 V CB -0.989 30.844 31.823 0.016 0.000 0.681 159 V HN 0.980 nan 8.190 nan 0.000 0.462 160 G N -0.905 107.699 108.800 -0.326 0.000 2.254 160 G HA2 -0.131 3.876 3.960 0.078 0.000 0.193 160 G HA3 -0.131 3.876 3.960 0.078 0.000 0.193 160 G C -0.502 173.979 174.900 -0.697 0.000 1.233 160 G CA -0.191 44.311 45.100 -0.997 0.000 1.290 160 G HN 0.436 nan 8.290 nan 0.000 0.517 161 V N 1.320 120.973 119.914 -0.435 0.000 2.389 161 V HA 0.435 4.602 4.120 0.078 0.000 0.264 161 V C 0.378 176.402 176.094 -0.116 0.000 1.049 161 V CA -0.305 61.858 62.300 -0.229 0.000 0.932 161 V CB 0.346 32.070 31.823 -0.166 0.000 1.011 161 V HN 0.821 nan 8.190 nan 0.000 0.475 162 C N 4.629 123.899 119.300 -0.051 0.000 2.295 162 C HA 0.706 5.213 4.460 0.078 0.000 0.331 162 C C 1.073 176.080 174.990 0.028 0.000 1.280 162 C CA -0.898 58.137 59.018 0.030 0.000 1.746 162 C CB 0.320 28.159 27.740 0.165 0.000 2.328 162 C HN 0.991 nan 8.230 nan 0.000 0.521 163 G N 2.941 111.759 108.800 0.030 0.000 2.325 163 G HA2 0.525 4.532 3.960 0.078 0.000 0.298 163 G HA3 0.525 4.532 3.960 0.078 0.000 0.298 163 G C -0.790 174.155 174.900 0.075 0.000 1.134 163 G CA -0.176 44.946 45.100 0.037 0.000 0.876 163 G HN 0.819 nan 8.290 nan 0.000 0.452 164 Q N 1.902 121.747 119.800 0.075 0.000 2.327 164 Q HA 0.407 4.793 4.340 0.078 0.000 0.270 164 Q C -0.721 175.333 176.000 0.090 0.000 1.022 164 Q CA -0.411 55.448 55.803 0.093 0.000 0.773 164 Q CB 2.637 31.424 28.738 0.081 0.000 1.251 164 Q HN 0.512 nan 8.270 nan 0.000 0.457 165 I N 5.017 125.661 120.570 0.123 0.000 2.330 165 I HA 0.432 4.649 4.170 0.078 0.000 0.289 165 I C -0.077 176.058 176.117 0.030 0.000 1.001 165 I CA -0.781 60.603 61.300 0.139 0.000 1.193 165 I CB 0.794 38.981 38.000 0.311 0.000 1.345 165 I HN 0.536 nan 8.210 nan 0.000 0.461 166 I N 5.691 126.261 120.570 0.001 0.000 2.693 166 I HA 0.729 4.945 4.170 0.078 0.000 0.303 166 I C -2.603 173.460 176.117 -0.090 0.000 1.025 166 I CA -2.227 59.027 61.300 -0.077 0.000 1.086 166 I CB 2.075 40.053 38.000 -0.037 0.000 1.268 166 I HN 0.229 nan 8.210 nan 0.000 0.440 167 P HA 0.129 nan 4.420 nan 0.000 0.302 167 P C -0.167 177.038 177.300 -0.158 0.000 1.307 167 P CA -0.108 62.830 63.100 -0.270 0.000 0.754 167 P CB 0.594 32.014 31.700 -0.467 0.000 1.298 168 W N 0.001 121.304 121.300 0.004 0.000 3.103 168 W HA 0.073 4.781 4.660 0.080 0.000 0.325 168 W C 0.873 177.343 176.519 -0.081 0.000 1.170 168 W CA 0.124 57.455 57.345 -0.022 0.000 1.712 168 W CB -1.463 27.990 29.460 -0.012 0.000 1.068 168 W HN 0.193 nan 8.180 nan 0.000 0.592 169 N N 1.975 120.530 118.700 -0.242 0.000 2.309 169 N HA -0.171 4.616 4.740 0.078 0.000 0.182 169 N C -0.162 174.948 175.510 -0.667 0.000 1.018 169 N CA 0.856 53.714 53.050 -0.321 0.000 0.876 169 N CB -1.078 37.136 38.487 -0.454 0.000 0.972 169 N HN 0.118 nan 8.380 nan 0.000 0.434 170 F N -0.729 119.128 119.950 -0.156 0.000 2.794 170 F HA 0.400 4.975 4.527 0.080 0.000 0.353 170 F C -1.889 173.808 175.800 -0.172 0.000 1.371 170 F CA -1.935 55.945 58.000 -0.200 0.000 1.173 170 F CB 2.213 41.005 39.000 -0.346 0.000 1.693 170 F HN -0.191 nan 8.300 nan 0.000 0.606 171 P HA -0.209 nan 4.420 nan 0.000 0.214 171 P C 1.909 179.207 177.300 -0.004 0.000 1.169 171 P CA 1.690 64.799 63.100 0.016 0.000 0.908 171 P CB 0.452 32.171 31.700 0.032 0.000 0.791 172 L N -1.940 119.280 121.223 -0.005 0.000 2.005 172 L HA -0.155 4.232 4.340 0.078 0.000 0.207 172 L C 2.448 179.276 176.870 -0.070 0.000 1.072 172 L CA 1.020 55.850 54.840 -0.016 0.000 0.744 172 L CB -1.036 41.022 42.059 -0.001 0.000 0.895 172 L HN -0.025 nan 8.230 nan 0.000 0.433 173 L N -0.578 120.564 121.223 -0.134 0.000 2.012 173 L HA -0.246 4.140 4.340 0.078 0.000 0.210 173 L C 2.540 179.118 176.870 -0.485 0.000 1.073 173 L CA 1.862 56.486 54.840 -0.361 0.000 0.748 173 L CB -0.435 41.278 42.059 -0.577 0.000 0.891 173 L HN 0.189 nan 8.230 nan 0.000 0.431 174 M N -1.103 118.286 119.600 -0.353 0.000 2.159 174 M HA -0.249 4.278 4.480 0.078 0.000 0.263 174 M C 2.269 178.533 176.300 -0.059 0.000 1.063 174 M CA 1.733 56.895 55.300 -0.229 0.000 1.110 174 M CB -1.145 31.376 32.600 -0.132 0.000 1.374 174 M HN 0.524 nan 8.290 nan 0.000 0.411 175 Q N 0.084 119.853 119.800 -0.052 0.000 2.050 175 Q HA -0.126 4.261 4.340 0.078 0.000 0.202 175 Q C 2.038 178.043 176.000 0.008 0.000 0.980 175 Q CA 1.983 57.776 55.803 -0.016 0.000 0.840 175 Q CB -0.027 28.699 28.738 -0.020 0.000 0.898 175 Q HN 0.473 nan 8.270 nan 0.000 0.424 176 A N -0.077 122.756 122.820 0.023 0.000 1.930 176 A HA -0.167 4.200 4.320 0.078 0.000 0.217 176 A C 1.555 179.269 177.584 0.216 0.000 1.175 176 A CA 1.126 53.222 52.037 0.098 0.000 0.627 176 A CB -1.085 17.988 19.000 0.122 0.000 0.815 176 A HN 0.643 nan 8.150 nan 0.000 0.443 177 W N 0.491 121.775 121.300 -0.026 0.000 2.364 177 W HA -0.061 4.652 4.660 0.087 0.000 0.281 177 W C 2.018 178.487 176.519 -0.083 0.000 1.219 177 W CA 1.356 58.685 57.345 -0.026 0.000 1.220 177 W CB -0.160 29.280 29.460 -0.033 0.000 1.127 177 W HN 0.250 nan 8.180 nan 0.000 0.556 178 K N -0.585 119.894 120.400 0.132 0.000 2.168 178 K HA 0.113 4.480 4.320 0.078 0.000 0.201 178 K C 2.077 178.585 176.600 -0.153 0.000 1.049 178 K CA 0.519 56.815 56.287 0.015 0.000 0.974 178 K CB -0.865 31.671 32.500 0.060 0.000 0.792 178 K HN 0.199 nan 8.250 nan 0.000 0.463 179 L N 0.477 121.636 121.223 -0.108 0.000 2.056 179 L HA -0.092 4.295 4.340 0.078 0.000 0.207 179 L C 2.446 179.206 176.870 -0.184 0.000 1.078 179 L CA 1.387 56.135 54.840 -0.153 0.000 0.749 179 L CB -1.003 40.983 42.059 -0.121 0.000 0.901 179 L HN 0.262 nan 8.230 nan 0.000 0.433 180 G N 1.194 109.895 108.800 -0.165 0.000 2.545 180 G HA2 -0.236 3.770 3.960 0.078 0.000 0.217 180 G HA3 -0.236 3.770 3.960 0.078 0.000 0.217 180 G C -0.558 174.009 174.900 -0.554 0.000 1.218 180 G CA 1.064 46.036 45.100 -0.214 0.000 0.787 180 G HN 0.313 nan 8.290 nan 0.000 0.571 181 P HA -0.004 nan 4.420 nan 0.000 0.216 181 P C 2.088 178.988 177.300 -0.667 0.000 1.153 181 P CA 2.007 64.579 63.100 -0.879 0.000 0.844 181 P CB -0.189 31.048 31.700 -0.771 0.000 0.787 182 A N 0.521 122.765 122.820 -0.959 0.000 1.883 182 A HA -0.145 4.221 4.320 0.078 0.000 0.217 182 A C 2.462 179.946 177.584 -0.167 0.000 1.186 182 A CA 1.602 53.158 52.037 -0.802 0.000 0.624 182 A CB -1.629 16.949 19.000 -0.704 0.000 0.822 182 A HN 0.123 nan 8.150 nan 0.000 0.444 183 L N -1.047 120.150 121.223 -0.045 0.000 2.109 183 L HA -0.108 4.279 4.340 0.078 0.000 0.207 183 L C 3.079 180.135 176.870 0.310 0.000 1.086 183 L CA 0.837 55.854 54.840 0.295 0.000 0.760 183 L CB -0.630 41.610 42.059 0.302 0.000 0.910 183 L HN 0.435 nan 8.230 nan 0.000 0.437 184 A N 0.438 123.346 122.820 0.147 0.000 1.940 184 A HA -0.214 4.153 4.320 0.078 0.000 0.219 184 A C 2.258 179.911 177.584 0.114 0.000 1.176 184 A CA 2.292 54.424 52.037 0.159 0.000 0.631 184 A CB -0.922 18.201 19.000 0.206 0.000 0.814 184 A HN 0.510 nan 8.150 nan 0.000 0.446 185 T N -4.144 110.460 114.554 0.083 0.000 3.169 185 T HA 0.410 4.807 4.350 0.078 0.000 0.250 185 T C 1.222 175.997 174.700 0.125 0.000 1.111 185 T CA 0.973 63.138 62.100 0.108 0.000 1.010 185 T CB -0.109 68.827 68.868 0.113 0.000 0.984 185 T HN 1.749 nan 8.240 nan 0.000 0.537 186 G N 1.534 110.409 108.800 0.125 0.000 2.137 186 G HA2 -0.240 3.766 3.960 0.078 0.000 0.237 186 G HA3 -0.240 3.766 3.960 0.078 0.000 0.237 186 G C -0.042 175.164 174.900 0.511 0.000 1.002 186 G CA -0.212 44.928 45.100 0.067 0.000 0.702 186 G HN 0.606 nan 8.290 nan 0.000 0.515 187 N N -0.647 118.355 118.700 0.502 0.000 2.379 187 N HA 0.583 5.369 4.740 0.078 0.000 0.260 187 N C 0.495 176.286 175.510 0.469 0.000 1.254 187 N CA 0.468 53.764 53.050 0.410 0.000 0.958 187 N CB 1.819 40.424 38.487 0.197 0.000 1.208 187 N HN 0.718 nan 8.380 nan 0.000 0.532 188 V N -2.066 117.956 119.914 0.179 0.000 2.715 188 V HA 0.725 4.892 4.120 0.078 0.000 0.310 188 V C -0.178 175.898 176.094 -0.030 0.000 1.054 188 V CA -0.720 61.606 62.300 0.043 0.000 0.928 188 V CB 1.630 33.488 31.823 0.058 0.000 1.007 188 V HN 0.251 nan 8.190 nan 0.000 0.437 189 V N 3.044 122.917 119.914 -0.068 0.000 2.823 189 V HA 0.636 4.803 4.120 0.078 0.000 0.312 189 V C -0.507 175.559 176.094 -0.047 0.000 1.072 189 V CA -0.567 61.701 62.300 -0.052 0.000 0.937 189 V CB 2.156 33.936 31.823 -0.070 0.000 1.013 189 V HN 0.804 nan 8.190 nan 0.000 0.430 190 V N 4.999 124.897 119.914 -0.027 0.000 2.357 190 V HA 0.445 4.612 4.120 0.078 0.000 0.281 190 V C -0.247 175.852 176.094 0.009 0.000 1.015 190 V CA -0.205 62.085 62.300 -0.016 0.000 0.827 190 V CB 1.388 33.187 31.823 -0.039 0.000 1.018 190 V HN 0.889 nan 8.190 nan 0.000 0.432 191 M N 4.785 124.396 119.600 0.019 0.000 2.300 191 M HA 0.572 5.099 4.480 0.078 0.000 0.348 191 M C -0.607 175.724 176.300 0.053 0.000 1.151 191 M CA -0.562 54.757 55.300 0.032 0.000 1.046 191 M CB 1.347 33.953 32.600 0.011 0.000 1.647 191 M HN 0.357 nan 8.290 nan 0.000 0.451 192 K N 5.156 125.594 120.400 0.063 0.000 2.449 192 K HA 0.376 4.742 4.320 0.078 0.000 0.257 192 K C -1.252 175.391 176.600 0.071 0.000 0.989 192 K CA -0.378 55.953 56.287 0.074 0.000 0.916 192 K CB 0.830 33.380 32.500 0.084 0.000 1.136 192 K HN 0.674 nan 8.250 nan 0.000 0.439 193 V N 0.949 120.907 119.914 0.073 0.000 2.904 193 V HA 0.610 4.777 4.120 0.078 0.000 0.305 193 V C 0.547 176.690 176.094 0.081 0.000 1.067 193 V CA -1.125 61.220 62.300 0.075 0.000 1.044 193 V CB 1.009 32.884 31.823 0.086 0.000 1.050 193 V HN 0.702 nan 8.190 nan 0.000 0.475 194 A N 2.961 125.841 122.820 0.101 0.000 2.511 194 A HA 0.268 4.635 4.320 0.078 0.000 0.242 194 A C 1.343 178.991 177.584 0.105 0.000 1.069 194 A CA 0.267 52.387 52.037 0.138 0.000 0.763 194 A CB 0.036 19.192 19.000 0.259 0.000 1.001 194 A HN 1.124 nan 8.150 nan 0.000 0.498 195 E N 2.156 122.354 120.200 -0.003 0.000 2.265 195 E HA -0.268 4.129 4.350 0.078 0.000 0.196 195 E C 1.004 177.662 176.600 0.097 0.000 0.996 195 E CA 1.692 58.006 56.400 -0.144 0.000 0.832 195 E CB -0.243 29.085 29.700 -0.621 0.000 0.756 195 E HN 0.833 nan 8.360 nan 0.000 0.491 196 Q N 0.727 120.580 119.800 0.088 0.000 2.245 196 Q HA 0.007 4.394 4.340 0.078 0.000 0.201 196 Q C 0.702 176.749 176.000 0.079 0.000 0.955 196 Q CA 1.658 57.485 55.803 0.040 0.000 0.870 196 Q CB 0.438 29.091 28.738 -0.141 0.000 0.945 196 Q HN 0.451 nan 8.270 nan 0.000 0.461 197 T N -3.425 111.209 114.554 0.133 0.000 3.734 197 T HA 0.287 4.683 4.350 0.078 0.000 0.238 197 T C -2.455 172.313 174.700 0.113 0.000 1.205 197 T CA -1.266 60.900 62.100 0.111 0.000 1.606 197 T CB 1.066 70.010 68.868 0.126 0.000 0.832 197 T HN -0.041 nan 8.240 nan 0.000 0.655 198 P HA 0.190 nan 4.420 nan 0.000 0.234 198 P C 1.710 179.068 177.300 0.097 0.000 1.175 198 P CA -0.106 63.069 63.100 0.125 0.000 0.801 198 P CB 0.360 32.167 31.700 0.178 0.000 0.891 199 L N 0.656 121.921 121.223 0.069 0.000 1.963 199 L HA -0.213 4.174 4.340 0.078 0.000 0.220 199 L C 2.847 179.782 176.870 0.107 0.000 1.076 199 L CA 3.039 57.920 54.840 0.067 0.000 0.772 199 L CB -2.268 39.810 42.059 0.032 0.000 0.892 199 L HN 0.120 nan 8.230 nan 0.000 0.435 200 T N -1.980 112.620 114.554 0.076 0.000 2.720 200 T HA -0.218 4.178 4.350 0.078 0.000 0.268 200 T C 1.919 176.703 174.700 0.140 0.000 1.037 200 T CA 1.216 63.373 62.100 0.095 0.000 1.144 200 T CB -0.593 68.298 68.868 0.039 0.000 0.864 200 T HN 0.373 nan 8.240 nan 0.000 0.444 201 A N 1.537 124.415 122.820 0.097 0.000 1.933 201 A HA 0.184 4.551 4.320 0.078 0.000 0.218 201 A C 2.475 180.105 177.584 0.077 0.000 1.175 201 A CA 1.277 53.354 52.037 0.068 0.000 0.628 201 A CB -0.861 18.168 19.000 0.049 0.000 0.814 201 A HN 0.557 nan 8.150 nan 0.000 0.444 202 L N -2.307 119.002 121.223 0.142 0.000 2.093 202 L HA -0.162 4.224 4.340 0.078 0.000 0.208 202 L C 2.557 179.580 176.870 0.255 0.000 1.085 202 L CA 1.564 56.539 54.840 0.226 0.000 0.755 202 L CB -0.577 41.620 42.059 0.230 0.000 0.904 202 L HN 0.589 nan 8.230 nan 0.000 0.435 203 Y N 0.173 120.549 120.300 0.126 0.000 2.242 203 Y HA -0.196 4.401 4.550 0.077 0.000 0.291 203 Y C 2.374 178.324 175.900 0.084 0.000 1.137 203 Y CA 1.334 59.520 58.100 0.144 0.000 1.181 203 Y CB -0.133 38.454 38.460 0.211 0.000 0.989 203 Y HN -0.169 nan 8.280 nan 0.000 0.527 204 V N 0.461 120.436 119.914 0.101 0.000 2.490 204 V HA -0.342 3.824 4.120 0.078 0.000 0.250 204 V C 2.638 178.595 176.094 -0.227 0.000 1.061 204 V CA 1.671 63.953 62.300 -0.030 0.000 1.064 204 V CB -1.499 30.332 31.823 0.014 0.000 0.670 204 V HN 0.582 nan 8.190 nan 0.000 0.461 205 A N 0.244 122.864 122.820 -0.334 0.000 1.940 205 A HA -0.284 4.082 4.320 0.078 0.000 0.219 205 A C 2.062 179.197 177.584 -0.748 0.000 1.176 205 A CA 2.287 53.829 52.037 -0.824 0.000 0.631 205 A CB -0.768 17.444 19.000 -1.313 0.000 0.814 205 A HN 0.592 nan 8.150 nan 0.000 0.446 206 N N -0.118 118.390 118.700 -0.321 0.000 2.188 206 N HA -0.039 4.748 4.740 0.078 0.000 0.184 206 N C 1.518 176.920 175.510 -0.180 0.000 1.018 206 N CA 1.252 54.239 53.050 -0.105 0.000 0.858 206 N CB -0.307 38.111 38.487 -0.114 0.000 0.989 206 N HN 0.492 nan 8.380 nan 0.000 0.426 207 L N -0.164 120.898 121.223 -0.268 0.000 2.156 207 L HA -0.031 4.355 4.340 0.078 0.000 0.208 207 L C 1.981 178.822 176.870 -0.049 0.000 1.095 207 L CA 0.632 55.386 54.840 -0.144 0.000 0.770 207 L CB -0.313 41.682 42.059 -0.107 0.000 0.914 207 L HN 0.216 nan 8.230 nan 0.000 0.439 208 I N 0.147 120.645 120.570 -0.119 0.000 2.286 208 I HA -0.306 3.910 4.170 0.078 0.000 0.248 208 I C 2.734 178.910 176.117 0.099 0.000 1.115 208 I CA 1.295 62.546 61.300 -0.081 0.000 1.392 208 I CB -0.209 37.589 38.000 -0.337 0.000 1.065 208 I HN 0.267 nan 8.210 nan 0.000 0.418 209 K N 1.115 121.560 120.400 0.074 0.000 2.057 209 K HA -0.237 4.129 4.320 0.078 0.000 0.206 209 K C 2.076 178.738 176.600 0.103 0.000 1.050 209 K CA 1.534 57.904 56.287 0.138 0.000 0.935 209 K CB -0.084 32.515 32.500 0.164 0.000 0.715 209 K HN 0.253 nan 8.250 nan 0.000 0.439 210 E N -0.075 120.164 120.200 0.064 0.000 2.153 210 E HA -0.161 4.235 4.350 0.078 0.000 0.194 210 E C 1.626 178.269 176.600 0.072 0.000 0.988 210 E CA 0.883 57.313 56.400 0.049 0.000 0.811 210 E CB -0.055 29.652 29.700 0.012 0.000 0.746 210 E HN 0.447 nan 8.360 nan 0.000 0.466 211 A N -0.029 122.862 122.820 0.118 0.000 2.067 211 A HA 0.056 4.422 4.320 0.078 0.000 0.219 211 A C 1.870 179.495 177.584 0.069 0.000 1.158 211 A CA 1.459 53.572 52.037 0.127 0.000 0.661 211 A CB -0.322 18.830 19.000 0.254 0.000 0.801 211 A HN 0.501 nan 8.150 nan 0.000 0.452 212 G N -2.972 105.893 108.800 0.107 0.000 2.192 212 G HA2 -0.154 3.852 3.960 0.078 0.000 0.193 212 G HA3 -0.154 3.852 3.960 0.078 0.000 0.193 212 G C -0.004 174.928 174.900 0.053 0.000 0.999 212 G CA -0.235 44.896 45.100 0.052 0.000 0.659 212 G HN 0.261 nan 8.290 nan 0.000 0.503 213 F N 2.092 122.047 119.950 0.008 0.000 2.578 213 F HA 0.395 4.968 4.527 0.076 0.000 0.376 213 F C -1.122 174.645 175.800 -0.055 0.000 1.085 213 F CA -1.164 56.809 58.000 -0.044 0.000 1.260 213 F CB 0.418 39.334 39.000 -0.139 0.000 1.095 213 F HN -0.089 nan 8.300 nan 0.000 0.573 214 P HA 0.030 nan 4.420 nan 0.000 0.268 214 P C -2.539 174.758 177.300 -0.006 0.000 1.208 214 P CA -0.767 62.374 63.100 0.068 0.000 0.777 214 P CB 0.038 31.808 31.700 0.117 0.000 0.875 215 P HA 0.103 nan 4.420 nan 0.000 0.268 215 P C 0.931 178.178 177.300 -0.087 0.000 1.204 215 P CA 1.021 64.072 63.100 -0.082 0.000 0.768 215 P CB 0.227 31.880 31.700 -0.079 0.000 0.842 216 G N 1.188 109.912 108.800 -0.128 0.000 2.217 216 G HA2 -0.295 3.712 3.960 0.078 0.000 0.246 216 G HA3 -0.295 3.712 3.960 0.078 0.000 0.246 216 G C 0.980 175.803 174.900 -0.127 0.000 0.990 216 G CA 0.245 45.283 45.100 -0.103 0.000 0.627 216 G HN 0.392 nan 8.290 nan 0.000 0.522 217 V N -0.151 119.635 119.914 -0.214 0.000 2.358 217 V HA 0.108 4.275 4.120 0.078 0.000 0.246 217 V C 1.419 177.337 176.094 -0.293 0.000 1.047 217 V CA 1.958 64.017 62.300 -0.401 0.000 1.035 217 V CB 0.118 31.483 31.823 -0.763 0.000 0.658 217 V HN 0.386 nan 8.190 nan 0.000 0.452 218 V N 1.574 121.366 119.914 -0.203 0.000 2.483 218 V HA 0.479 4.646 4.120 0.078 0.000 0.297 218 V C -0.885 175.236 176.094 0.046 0.000 1.027 218 V CA -0.749 61.472 62.300 -0.131 0.000 0.855 218 V CB 1.834 33.511 31.823 -0.244 0.000 0.995 218 V HN 0.445 nan 8.190 nan 0.000 0.424 219 N N 5.447 124.170 118.700 0.040 0.000 2.352 219 N HA 0.615 5.402 4.740 0.078 0.000 0.291 219 N C -1.250 174.324 175.510 0.108 0.000 1.040 219 N CA -0.403 52.717 53.050 0.116 0.000 0.864 219 N CB 3.026 41.521 38.487 0.013 0.000 1.440 219 N HN 0.481 nan 8.380 nan 0.000 0.483 220 I N 1.616 122.294 120.570 0.180 0.000 2.406 220 I HA 0.332 4.549 4.170 0.078 0.000 0.290 220 I C -0.362 175.850 176.117 0.159 0.000 0.999 220 I CA -0.980 60.392 61.300 0.119 0.000 1.124 220 I CB 1.997 40.037 38.000 0.067 0.000 1.289 220 I HN 0.065 nan 8.210 nan 0.000 0.441 221 V N 8.056 128.045 119.914 0.125 0.000 2.284 221 V HA 0.301 4.468 4.120 0.078 0.000 0.274 221 V C -2.100 174.074 176.094 0.134 0.000 1.023 221 V CA -1.578 60.804 62.300 0.136 0.000 0.808 221 V CB 1.066 32.951 31.823 0.103 0.000 1.035 221 V HN 0.568 nan 8.190 nan 0.000 0.445 222 P HA 0.573 nan 4.420 nan 0.000 0.274 222 P C 0.214 177.598 177.300 0.140 0.000 1.237 222 P CA 0.453 63.664 63.100 0.185 0.000 0.793 222 P CB 1.879 33.739 31.700 0.266 0.000 0.977 223 G N 0.134 108.899 108.800 -0.059 0.000 2.359 223 G HA2 0.263 4.269 3.960 0.078 0.000 0.293 223 G HA3 0.263 4.269 3.960 0.078 0.000 0.293 223 G C -1.493 173.072 174.900 -0.559 0.000 1.300 223 G CA -0.917 43.977 45.100 -0.344 0.000 0.888 223 G HN 0.246 nan 8.290 nan 0.000 0.541 224 F N 0.523 120.345 119.950 -0.215 0.000 2.378 224 F HA 0.513 5.086 4.527 0.078 0.000 0.319 224 F C 1.917 177.685 175.800 -0.052 0.000 1.155 224 F CA 0.781 58.684 58.000 -0.163 0.000 1.157 224 F CB 1.122 40.029 39.000 -0.155 0.000 1.252 224 F HN 0.658 nan 8.300 nan 0.000 0.550 225 G N 0.404 109.322 108.800 0.196 0.000 2.434 225 G HA2 -0.110 3.897 3.960 0.078 0.000 0.214 225 G HA3 -0.110 3.897 3.960 0.078 0.000 0.214 225 G C -0.958 173.999 174.900 0.094 0.000 1.202 225 G CA 0.483 45.662 45.100 0.131 0.000 0.788 225 G HN 0.481 nan 8.290 nan 0.000 0.539 226 P HA -0.036 nan 4.420 nan 0.000 0.223 226 P C 1.783 179.111 177.300 0.047 0.000 1.144 226 P CA 1.981 65.104 63.100 0.037 0.000 0.783 226 P CB 0.017 31.723 31.700 0.010 0.000 0.771 227 T N -3.791 110.813 114.554 0.084 0.000 3.246 227 T HA 0.258 4.654 4.350 0.078 0.000 0.231 227 T C 1.957 176.707 174.700 0.084 0.000 0.986 227 T CA 0.586 62.737 62.100 0.085 0.000 1.340 227 T CB -1.147 67.794 68.868 0.123 0.000 1.063 227 T HN -0.104 nan 8.240 nan 0.000 0.427 228 A N 1.758 124.636 122.820 0.095 0.000 1.877 228 A HA 0.259 4.625 4.320 0.078 0.000 0.216 228 A C 2.632 180.264 177.584 0.079 0.000 1.186 228 A CA 1.915 54.003 52.037 0.084 0.000 0.620 228 A CB -1.738 17.308 19.000 0.076 0.000 0.822 228 A HN 0.681 nan 8.150 nan 0.000 0.443 229 G N -0.445 108.403 108.800 0.081 0.000 2.421 229 G HA2 -0.020 3.986 3.960 0.078 0.000 0.216 229 G HA3 -0.020 3.986 3.960 0.078 0.000 0.216 229 G C 1.767 176.701 174.900 0.056 0.000 1.171 229 G CA 1.554 46.702 45.100 0.081 0.000 0.775 229 G HN 0.832 nan 8.290 nan 0.000 0.543 230 A N 1.049 123.893 122.820 0.041 0.000 1.972 230 A HA 0.283 4.650 4.320 0.078 0.000 0.219 230 A C 2.789 180.396 177.584 0.038 0.000 1.169 230 A CA 2.165 54.214 52.037 0.021 0.000 0.635 230 A CB -0.685 18.322 19.000 0.012 0.000 0.810 230 A HN 0.802 nan 8.150 nan 0.000 0.446 231 A N -0.039 122.816 122.820 0.059 0.000 1.933 231 A HA -0.073 4.294 4.320 0.078 0.000 0.218 231 A C 2.111 179.770 177.584 0.125 0.000 1.175 231 A CA 1.509 53.597 52.037 0.085 0.000 0.628 231 A CB -0.533 18.525 19.000 0.097 0.000 0.814 231 A HN 0.509 nan 8.150 nan 0.000 0.444 232 I N -0.439 120.189 120.570 0.098 0.000 2.163 232 I HA -0.235 3.981 4.170 0.078 0.000 0.240 232 I C 3.000 179.169 176.117 0.087 0.000 1.081 232 I CA 0.999 62.352 61.300 0.088 0.000 1.353 232 I CB -0.425 37.612 38.000 0.062 0.000 1.054 232 I HN 0.344 nan 8.210 nan 0.000 0.407 233 A N 0.698 123.552 122.820 0.057 0.000 1.940 233 A HA -0.226 4.141 4.320 0.078 0.000 0.219 233 A C 2.328 179.931 177.584 0.033 0.000 1.176 233 A CA 2.384 54.440 52.037 0.030 0.000 0.631 233 A CB -0.704 18.290 19.000 -0.010 0.000 0.814 233 A HN 0.550 nan 8.150 nan 0.000 0.446 234 S N -1.838 113.886 115.700 0.041 0.000 2.556 234 S HA 0.096 4.612 4.470 0.078 0.000 0.216 234 S C 0.644 175.264 174.600 0.034 0.000 0.970 234 S CA -0.417 57.797 58.200 0.023 0.000 0.912 234 S CB -0.468 62.731 63.200 -0.002 0.000 0.790 234 S HN 0.591 nan 8.310 nan 0.000 0.504 235 H N 2.529 121.598 119.070 -0.001 0.000 2.928 235 H HA 0.139 4.742 4.556 0.078 0.000 0.338 235 H C 0.762 176.089 175.328 -0.002 0.000 1.047 235 H CA 0.588 56.637 56.048 0.001 0.000 1.435 235 H CB 0.762 30.527 29.762 0.005 0.000 1.428 235 H HN 0.252 nan 8.280 nan 0.000 0.590 236 E N 2.888 123.046 120.200 -0.069 0.000 2.347 236 E HA -0.119 4.277 4.350 0.078 0.000 0.196 236 E C 0.753 177.444 176.600 0.152 0.000 1.008 236 E CA 0.707 57.123 56.400 0.026 0.000 0.852 236 E CB 0.245 29.908 29.700 -0.061 0.000 0.783 236 E HN 0.595 nan 8.360 nan 0.000 0.505 237 D N -0.290 120.353 120.400 0.405 0.000 2.395 237 D HA 0.032 4.718 4.640 0.078 0.000 0.213 237 D C -0.528 175.822 176.300 0.083 0.000 1.110 237 D CA -0.024 54.110 54.000 0.224 0.000 0.835 237 D CB 0.608 41.542 40.800 0.223 0.000 0.965 237 D HN -0.197 nan 8.370 nan 0.000 0.505 238 V N 1.789 121.757 119.914 0.091 0.000 2.406 238 V HA 0.127 4.293 4.120 0.078 0.000 0.272 238 V C 0.927 177.021 176.094 0.000 0.000 1.043 238 V CA -0.395 61.901 62.300 -0.006 0.000 0.915 238 V CB 1.726 33.547 31.823 -0.004 0.000 0.988 238 V HN 0.039 nan 8.190 nan 0.000 0.466 239 D N 3.257 123.634 120.400 -0.038 0.000 2.249 239 D HA 0.032 4.719 4.640 0.078 0.000 0.205 239 D C 0.743 177.021 176.300 -0.036 0.000 0.962 239 D CA 0.945 54.923 54.000 -0.038 0.000 0.860 239 D CB 0.702 41.459 40.800 -0.072 0.000 0.955 239 D HN 0.489 nan 8.370 nan 0.000 0.505 240 K N 0.324 120.702 120.400 -0.036 0.000 2.542 240 K HA 0.372 4.739 4.320 0.078 0.000 0.259 240 K C -2.094 174.498 176.600 -0.014 0.000 0.932 240 K CA -0.567 55.695 56.287 -0.041 0.000 0.820 240 K CB 3.067 35.519 32.500 -0.080 0.000 1.345 240 K HN -0.206 nan 8.250 nan 0.000 0.432 241 V N 2.823 122.732 119.914 -0.008 0.000 2.483 241 V HA 0.781 4.948 4.120 0.078 0.000 0.297 241 V C -1.305 174.816 176.094 0.045 0.000 1.027 241 V CA -0.336 61.983 62.300 0.033 0.000 0.855 241 V CB 1.373 33.221 31.823 0.041 0.000 0.995 241 V HN 0.872 nan 8.190 nan 0.000 0.424 242 A N 6.872 129.742 122.820 0.083 0.000 2.287 242 A HA 0.833 5.200 4.320 0.078 0.000 0.317 242 A C -1.191 176.500 177.584 0.178 0.000 1.220 242 A CA -0.435 51.662 52.037 0.100 0.000 0.835 242 A CB 0.813 19.874 19.000 0.101 0.000 1.180 242 A HN 1.071 nan 8.150 nan 0.000 0.500 243 F N 2.000 121.967 119.950 0.029 0.000 2.546 243 F HA 0.756 5.329 4.527 0.077 0.000 0.320 243 F C -0.321 175.504 175.800 0.041 0.000 1.076 243 F CA -0.166 57.853 58.000 0.031 0.000 0.928 243 F CB 2.436 41.447 39.000 0.018 0.000 1.189 243 F HN 0.394 nan 8.300 nan 0.000 0.465 244 T N 4.033 117.909 114.554 -1.129 0.000 3.050 244 T HA 0.717 5.113 4.350 0.078 0.000 0.310 244 T C -0.254 173.743 174.700 -1.171 0.000 0.978 244 T CA -0.283 61.335 62.100 -0.803 0.000 1.013 244 T CB 0.947 69.630 68.868 -0.307 0.000 1.000 244 T HN 1.131 nan 8.240 nan 0.000 0.447 245 G N 2.022 110.310 108.800 -0.854 0.000 2.498 245 G HA2 0.485 4.492 3.960 0.078 0.000 0.181 245 G HA3 0.485 4.492 3.960 0.078 0.000 0.181 245 G C -0.630 174.256 174.900 -0.023 0.000 1.169 245 G CA -0.218 44.626 45.100 -0.427 0.000 0.992 245 G HN 0.921 nan 8.290 nan 0.000 0.490 246 S N -0.234 115.554 115.700 0.145 0.000 2.576 246 S HA 0.430 4.946 4.470 0.078 0.000 0.276 246 S C 1.248 175.979 174.600 0.218 0.000 1.339 246 S CA 0.979 59.247 58.200 0.114 0.000 1.039 246 S CB 1.371 64.619 63.200 0.080 0.000 0.902 246 S HN 0.725 nan 8.310 nan 0.000 0.516 247 T N 1.236 115.893 114.554 0.173 0.000 2.833 247 T HA -0.123 4.273 4.350 0.078 0.000 0.269 247 T C 1.612 176.364 174.700 0.086 0.000 1.054 247 T CA 1.657 63.856 62.100 0.165 0.000 1.135 247 T CB -0.451 68.533 68.868 0.193 0.000 0.869 247 T HN 0.847 nan 8.240 nan 0.000 0.466 248 E N 0.448 120.691 120.200 0.071 0.000 2.038 248 E HA -0.151 4.246 4.350 0.078 0.000 0.195 248 E C 1.950 178.535 176.600 -0.025 0.000 1.000 248 E CA 1.125 57.540 56.400 0.026 0.000 0.803 248 E CB -0.027 29.695 29.700 0.037 0.000 0.750 248 E HN 0.298 nan 8.360 nan 0.000 0.448 249 I N 0.667 121.216 120.570 -0.035 0.000 2.439 249 I HA -0.081 4.136 4.170 0.078 0.000 0.251 249 I C 2.523 178.389 176.117 -0.418 0.000 1.139 249 I CA 1.187 62.371 61.300 -0.193 0.000 1.438 249 I CB -1.631 36.275 38.000 -0.157 0.000 1.085 249 I HN 0.214 nan 8.210 nan 0.000 0.427 250 G N 1.073 109.705 108.800 -0.279 0.000 2.450 250 G HA2 -0.243 3.763 3.960 0.078 0.000 0.220 250 G HA3 -0.243 3.763 3.960 0.078 0.000 0.220 250 G C 1.902 176.707 174.900 -0.159 0.000 1.130 250 G CA 0.367 45.328 45.100 -0.233 0.000 0.760 250 G HN 0.343 nan 8.290 nan 0.000 0.557 251 R N -0.330 120.106 120.500 -0.107 0.000 2.090 251 R HA 0.054 4.440 4.340 0.078 0.000 0.228 251 R C 2.645 178.884 176.300 -0.102 0.000 1.110 251 R CA 0.888 56.941 56.100 -0.079 0.000 0.973 251 R CB -0.433 29.837 30.300 -0.051 0.000 0.869 251 R HN 0.294 nan 8.270 nan 0.000 0.440 252 V N 1.729 121.563 119.914 -0.134 0.000 2.287 252 V HA -0.259 3.907 4.120 0.078 0.000 0.248 252 V C 2.352 178.361 176.094 -0.141 0.000 1.053 252 V CA 1.541 63.765 62.300 -0.127 0.000 1.027 252 V CB -0.454 31.287 31.823 -0.137 0.000 0.646 252 V HN 0.246 nan 8.190 nan 0.000 0.447 253 I N 0.002 120.440 120.570 -0.219 0.000 2.179 253 I HA -0.301 3.916 4.170 0.078 0.000 0.242 253 I C 2.583 178.637 176.117 -0.105 0.000 1.088 253 I CA 2.084 63.269 61.300 -0.192 0.000 1.357 253 I CB -1.136 36.683 38.000 -0.301 0.000 1.051 253 I HN 0.443 nan 8.210 nan 0.000 0.409 254 Q N 0.669 120.413 119.800 -0.093 0.000 2.124 254 Q HA -0.141 4.246 4.340 0.078 0.000 0.202 254 Q C 2.297 178.268 176.000 -0.049 0.000 0.977 254 Q CA 1.594 57.363 55.803 -0.056 0.000 0.850 254 Q CB 0.134 28.845 28.738 -0.045 0.000 0.901 254 Q HN 0.319 nan 8.270 nan 0.000 0.429 255 V N 0.578 120.459 119.914 -0.054 0.000 2.358 255 V HA -0.213 3.953 4.120 0.078 0.000 0.246 255 V C 2.272 178.342 176.094 -0.040 0.000 1.047 255 V CA 1.610 63.884 62.300 -0.044 0.000 1.035 255 V CB -0.945 30.851 31.823 -0.045 0.000 0.658 255 V HN 0.525 nan 8.190 nan 0.000 0.452 256 A N -0.058 122.734 122.820 -0.046 0.000 1.972 256 A HA -0.092 4.275 4.320 0.078 0.000 0.219 256 A C 2.363 179.931 177.584 -0.026 0.000 1.169 256 A CA 2.022 54.037 52.037 -0.037 0.000 0.635 256 A CB -0.561 18.414 19.000 -0.042 0.000 0.810 256 A HN 0.560 nan 8.150 nan 0.000 0.446 257 A N -0.707 122.096 122.820 -0.028 0.000 1.898 257 A HA 0.247 4.614 4.320 0.078 0.000 0.214 257 A C 2.340 179.913 177.584 -0.019 0.000 1.183 257 A CA 1.561 53.587 52.037 -0.019 0.000 0.622 257 A CB -1.141 17.846 19.000 -0.021 0.000 0.824 257 A HN 0.680 nan 8.150 nan 0.000 0.444 258 G N -1.004 107.782 108.800 -0.024 0.000 2.448 258 G HA2 -0.010 3.997 3.960 0.078 0.000 0.218 258 G HA3 -0.010 3.997 3.960 0.078 0.000 0.218 258 G C 1.569 176.456 174.900 -0.020 0.000 1.135 258 G CA 1.156 46.242 45.100 -0.022 0.000 0.784 258 G HN 0.470 nan 8.290 nan 0.000 0.543 259 S N 0.235 115.922 115.700 -0.022 0.000 2.496 259 S HA 0.021 4.538 4.470 0.078 0.000 0.224 259 S C 2.377 176.965 174.600 -0.020 0.000 0.996 259 S CA 0.949 59.136 58.200 -0.021 0.000 0.927 259 S CB 0.095 63.280 63.200 -0.023 0.000 0.774 259 S HN 0.615 nan 8.310 nan 0.000 0.524 260 S N 3.158 118.848 115.700 -0.017 0.000 2.755 260 S HA 0.100 4.617 4.470 0.078 0.000 0.165 260 S C 0.969 175.563 174.600 -0.010 0.000 0.723 260 S CA 0.217 58.408 58.200 -0.015 0.000 0.867 260 S CB -0.508 62.686 63.200 -0.010 0.000 0.740 260 S HN 0.491 nan 8.310 nan 0.000 0.568 261 N N 1.254 119.952 118.700 -0.002 0.000 2.235 261 N HA 0.271 5.057 4.740 0.078 0.000 0.231 261 N C 0.096 175.605 175.510 -0.002 0.000 1.177 261 N CA -0.144 52.907 53.050 0.001 0.000 0.874 261 N CB -0.409 38.086 38.487 0.014 0.000 1.097 261 N HN 0.592 nan 8.380 nan 0.000 0.518 262 L N -0.185 121.033 121.223 -0.007 0.000 3.843 262 L HA -0.305 4.082 4.340 0.078 0.000 0.411 262 L C 0.100 176.963 176.870 -0.013 0.000 1.205 262 L CA 0.697 55.529 54.840 -0.012 0.000 0.945 262 L CB -1.691 40.360 42.059 -0.012 0.000 1.929 262 L HN 0.466 nan 8.230 nan 0.000 0.934 263 K N 0.309 120.704 120.400 -0.009 0.000 2.336 263 K HA 0.412 4.778 4.320 0.078 0.000 0.262 263 K C 0.372 176.958 176.600 -0.024 0.000 0.992 263 K CA -0.558 55.721 56.287 -0.013 0.000 0.927 263 K CB 0.539 33.036 32.500 -0.004 0.000 0.956 263 K HN 0.127 nan 8.250 nan 0.000 0.495 264 R N 0.593 121.071 120.500 -0.037 0.000 2.594 264 R HA 0.228 4.615 4.340 0.078 0.000 0.272 264 R C -0.717 175.554 176.300 -0.049 0.000 1.074 264 R CA -0.484 55.585 56.100 -0.052 0.000 1.105 264 R CB 0.896 31.149 30.300 -0.079 0.000 1.008 264 R HN 0.399 nan 8.270 nan 0.000 0.472 265 V N 1.504 121.389 119.914 -0.047 0.000 2.623 265 V HA 0.337 4.503 4.120 0.078 0.000 0.304 265 V C -0.378 175.698 176.094 -0.029 0.000 1.054 265 V CA -0.895 61.389 62.300 -0.028 0.000 0.882 265 V CB 1.998 33.811 31.823 -0.015 0.000 1.002 265 V HN 0.975 nan 8.190 nan 0.000 0.424 266 T N 3.046 117.592 114.554 -0.014 0.000 2.824 266 T HA 0.837 5.234 4.350 0.078 0.000 0.282 266 T C -0.918 173.821 174.700 0.065 0.000 0.993 266 T CA -0.628 61.468 62.100 -0.007 0.000 0.967 266 T CB 1.403 70.238 68.868 -0.055 0.000 0.960 266 T HN 0.383 nan 8.240 nan 0.000 0.441 267 L N 2.581 123.849 121.223 0.074 0.000 2.333 267 L HA 0.554 4.941 4.340 0.078 0.000 0.280 267 L C 0.025 176.955 176.870 0.100 0.000 1.004 267 L CA -0.823 54.105 54.840 0.146 0.000 0.820 267 L CB 1.945 44.095 42.059 0.151 0.000 1.247 267 L HN 0.626 nan 8.230 nan 0.000 0.416 268 E N 5.121 125.375 120.200 0.091 0.000 2.400 268 E HA 0.395 4.792 4.350 0.078 0.000 0.232 268 E C -0.649 175.977 176.600 0.043 0.000 0.988 268 E CA -0.232 56.199 56.400 0.052 0.000 0.823 268 E CB 1.070 30.805 29.700 0.059 0.000 1.246 268 E HN 0.480 nan 8.360 nan 0.000 0.441 269 L N -0.114 121.165 121.223 0.092 0.000 2.448 269 L HA 0.527 4.914 4.340 0.078 0.000 0.258 269 L C 1.469 178.383 176.870 0.073 0.000 1.104 269 L CA -0.851 54.058 54.840 0.115 0.000 0.800 269 L CB 0.382 42.558 42.059 0.196 0.000 1.241 269 L HN 0.309 nan 8.230 nan 0.000 0.472 270 G N -1.026 107.781 108.800 0.012 0.000 2.468 270 G HA2 0.529 4.535 3.960 0.078 0.000 0.264 270 G HA3 0.529 4.535 3.960 0.078 0.000 0.264 270 G C -0.211 174.475 174.900 -0.357 0.000 1.460 270 G CA 0.253 45.278 45.100 -0.124 0.000 1.060 270 G HN 0.920 nan 8.290 nan 0.000 0.543 271 G N -2.308 106.100 108.800 -0.653 0.000 2.495 271 G HA2 0.464 4.471 3.960 0.078 0.000 0.294 271 G HA3 0.464 4.471 3.960 0.078 0.000 0.294 271 G C -1.409 173.172 174.900 -0.531 0.000 1.397 271 G CA -0.465 44.154 45.100 -0.800 0.000 0.790 271 G HN 0.569 nan 8.290 nan 0.000 0.486 272 K N 0.671 120.983 120.400 -0.147 0.000 3.206 272 K HA 0.482 4.849 4.320 0.078 0.000 0.180 272 K C 0.091 176.763 176.600 0.120 0.000 1.088 272 K CA -0.326 55.978 56.287 0.028 0.000 0.872 272 K CB 0.131 32.727 32.500 0.160 0.000 0.976 272 K HN 0.418 nan 8.250 nan 0.000 0.564 273 S N 3.978 119.755 115.700 0.128 0.000 2.596 273 S HA 0.053 4.570 4.470 0.078 0.000 0.298 273 S C -2.258 172.489 174.600 0.244 0.000 1.255 273 S CA -0.438 57.886 58.200 0.207 0.000 1.083 273 S CB 0.063 63.449 63.200 0.309 0.000 0.837 273 S HN 0.405 nan 8.310 nan 0.000 0.499 274 P HA 0.182 nan 4.420 nan 0.000 0.285 274 P C -1.001 176.509 177.300 0.350 0.000 1.259 274 P CA -0.654 62.655 63.100 0.348 0.000 0.794 274 P CB 0.561 32.437 31.700 0.293 0.000 0.940 275 N N 3.537 122.450 118.700 0.355 0.000 2.626 275 N HA 0.302 5.089 4.740 0.078 0.000 0.249 275 N C -0.710 174.984 175.510 0.307 0.000 1.021 275 N CA -0.627 52.628 53.050 0.343 0.000 0.886 275 N CB 0.317 38.907 38.487 0.172 0.000 1.149 275 N HN 0.279 nan 8.380 nan 0.000 0.517 276 I N 4.288 125.034 120.570 0.295 0.000 2.352 276 I HA 0.230 4.446 4.170 0.078 0.000 0.290 276 I C -0.034 176.267 176.117 0.307 0.000 1.036 276 I CA -0.474 60.959 61.300 0.223 0.000 1.336 276 I CB 0.835 38.846 38.000 0.019 0.000 1.407 276 I HN 0.348 nan 8.210 nan 0.000 0.497 277 I N 7.121 127.854 120.570 0.273 0.000 2.328 277 I HA 0.329 4.546 4.170 0.078 0.000 0.287 277 I C 0.158 176.448 176.117 0.289 0.000 1.012 277 I CA -0.561 60.863 61.300 0.205 0.000 1.195 277 I CB 0.820 38.723 38.000 -0.162 0.000 1.350 277 I HN 0.486 nan 8.210 nan 0.000 0.464 278 M N 3.642 123.427 119.600 0.308 0.000 2.227 278 M HA 0.173 4.700 4.480 0.078 0.000 0.316 278 M C 1.708 178.098 176.300 0.150 0.000 1.144 278 M CA -0.043 55.415 55.300 0.264 0.000 1.121 278 M CB 0.722 33.467 32.600 0.242 0.000 1.440 278 M HN 0.667 nan 8.290 nan 0.000 0.473 279 S N 0.468 116.218 115.700 0.083 0.000 2.399 279 S HA -0.173 4.344 4.470 0.078 0.000 0.231 279 S C 0.820 175.471 174.600 0.086 0.000 1.022 279 S CA 1.504 59.736 58.200 0.053 0.000 0.983 279 S CB -0.599 62.609 63.200 0.013 0.000 0.803 279 S HN 0.755 nan 8.310 nan 0.000 0.480 280 D N 1.944 122.405 120.400 0.103 0.000 2.340 280 D HA 0.407 5.093 4.640 0.078 0.000 0.220 280 D C 0.650 177.034 176.300 0.140 0.000 1.039 280 D CA 0.242 54.304 54.000 0.105 0.000 0.866 280 D CB -0.423 40.429 40.800 0.086 0.000 0.913 280 D HN 0.562 nan 8.370 nan 0.000 0.523 281 A N 0.532 123.462 122.820 0.184 0.000 2.448 281 A HA 0.100 4.466 4.320 0.078 0.000 0.239 281 A C 0.406 178.134 177.584 0.239 0.000 1.080 281 A CA -0.267 51.922 52.037 0.253 0.000 0.779 281 A CB 0.116 19.319 19.000 0.339 0.000 1.026 281 A HN 0.238 nan 8.150 nan 0.000 0.499 282 D N 1.893 122.468 120.400 0.291 0.000 2.342 282 D HA 0.089 4.775 4.640 0.078 0.000 0.260 282 D C 1.092 177.564 176.300 0.286 0.000 1.278 282 D CA -0.206 53.952 54.000 0.264 0.000 0.910 282 D CB 0.450 41.427 40.800 0.295 0.000 1.079 282 D HN 0.490 nan 8.370 nan 0.000 0.496 283 M N 4.340 124.064 119.600 0.206 0.000 2.073 283 M HA -0.227 4.299 4.480 0.078 0.000 0.258 283 M C 1.133 177.519 176.300 0.143 0.000 1.070 283 M CA 1.784 57.192 55.300 0.179 0.000 1.103 283 M CB -0.332 32.345 32.600 0.128 0.000 1.321 283 M HN 0.320 nan 8.290 nan 0.000 0.405 284 D N -0.976 119.510 120.400 0.143 0.000 2.104 284 D HA -0.246 4.441 4.640 0.078 0.000 0.194 284 D C 1.832 178.244 176.300 0.186 0.000 0.994 284 D CA 1.530 55.604 54.000 0.124 0.000 0.830 284 D CB -0.692 40.189 40.800 0.135 0.000 0.959 284 D HN 0.655 nan 8.370 nan 0.000 0.452 285 W N 1.520 122.864 121.300 0.072 0.000 2.379 285 W HA -0.151 4.555 4.660 0.076 0.000 0.307 285 W C 2.199 178.787 176.519 0.115 0.000 1.200 285 W CA 1.500 58.913 57.345 0.115 0.000 1.297 285 W CB -0.091 29.472 29.460 0.172 0.000 1.140 285 W HN -0.025 nan 8.180 nan 0.000 0.507 286 A N 0.339 123.234 122.820 0.124 0.000 1.908 286 A HA -0.198 4.169 4.320 0.078 0.000 0.218 286 A C 2.013 179.475 177.584 -0.203 0.000 1.181 286 A CA 2.224 54.135 52.037 -0.211 0.000 0.627 286 A CB -1.163 17.871 19.000 0.057 0.000 0.818 286 A HN 0.158 nan 8.150 nan 0.000 0.445 287 V N -0.132 119.708 119.914 -0.123 0.000 2.358 287 V HA -0.214 3.953 4.120 0.078 0.000 0.246 287 V C 2.615 178.571 176.094 -0.231 0.000 1.047 287 V CA 2.382 64.484 62.300 -0.330 0.000 1.035 287 V CB -0.631 30.951 31.823 -0.403 0.000 0.658 287 V HN 0.688 nan 8.190 nan 0.000 0.452 288 E N -0.117 119.957 120.200 -0.208 0.000 2.106 288 E HA -0.183 4.213 4.350 0.078 0.000 0.192 288 E C 2.271 178.760 176.600 -0.185 0.000 0.984 288 E CA 1.220 57.511 56.400 -0.182 0.000 0.806 288 E CB -0.185 29.396 29.700 -0.199 0.000 0.750 288 E HN 0.496 nan 8.360 nan 0.000 0.458 289 Q N -0.448 119.121 119.800 -0.385 0.000 2.123 289 Q HA 0.058 4.444 4.340 0.078 0.000 0.199 289 Q C 2.100 177.998 176.000 -0.170 0.000 0.966 289 Q CA 1.250 56.868 55.803 -0.309 0.000 0.845 289 Q CB -0.314 28.179 28.738 -0.409 0.000 0.907 289 Q HN 0.363 nan 8.270 nan 0.000 0.439 290 A N 0.199 122.874 122.820 -0.240 0.000 1.930 290 A HA -0.225 4.142 4.320 0.078 0.000 0.217 290 A C 1.919 179.467 177.584 -0.061 0.000 1.175 290 A CA 1.874 53.816 52.037 -0.157 0.000 0.627 290 A CB -0.743 18.302 19.000 0.076 0.000 0.815 290 A HN 0.465 nan 8.150 nan 0.000 0.443 291 H N -1.714 117.335 119.070 -0.036 0.000 2.357 291 H HA -0.119 4.484 4.556 0.078 0.000 0.301 291 H C 1.695 177.154 175.328 0.217 0.000 1.082 291 H CA 2.084 58.224 56.048 0.152 0.000 1.342 291 H CB -0.346 29.463 29.762 0.078 0.000 1.389 291 H HN 0.484 nan 8.280 nan 0.000 0.511 292 F N 0.705 120.669 119.950 0.022 0.000 2.113 292 F HA -0.103 4.470 4.527 0.076 0.000 0.297 292 F C 2.531 178.267 175.800 -0.108 0.000 1.103 292 F CA 1.370 59.367 58.000 -0.006 0.000 1.248 292 F CB -0.691 38.271 39.000 -0.064 0.000 0.999 292 F HN 0.281 nan 8.300 nan 0.000 0.475 293 A N 0.540 123.172 122.820 -0.314 0.000 1.927 293 A HA -0.251 4.116 4.320 0.078 0.000 0.220 293 A C 2.155 179.381 177.584 -0.596 0.000 1.185 293 A CA 2.321 53.896 52.037 -0.770 0.000 0.639 293 A CB -1.162 17.113 19.000 -1.209 0.000 0.820 293 A HN 0.617 nan 8.150 nan 0.000 0.451 294 L N -2.931 117.995 121.223 -0.495 0.000 2.262 294 L HA 0.241 4.627 4.340 0.078 0.000 0.197 294 L C 2.152 178.676 176.870 -0.577 0.000 1.073 294 L CA 0.941 55.458 54.840 -0.539 0.000 0.800 294 L CB -0.127 41.531 42.059 -0.670 0.000 0.987 294 L HN 0.296 nan 8.230 nan 0.000 0.470 295 F N -0.554 119.198 119.950 -0.331 0.000 2.365 295 F HA -0.068 4.506 4.527 0.078 0.000 0.300 295 F C 1.062 176.738 175.800 -0.206 0.000 1.090 295 F CA 0.247 58.074 58.000 -0.289 0.000 1.408 295 F CB -0.522 38.222 39.000 -0.426 0.000 1.060 295 F HN -0.043 nan 8.300 nan 0.000 0.534 296 F N 2.277 122.064 119.950 -0.271 0.000 2.635 296 F HA -0.105 4.469 4.527 0.078 0.000 0.379 296 F C 1.186 176.881 175.800 -0.176 0.000 1.094 296 F CA 0.006 57.839 58.000 -0.278 0.000 1.300 296 F CB 0.039 38.626 39.000 -0.688 0.000 1.035 296 F HN 0.131 nan 8.300 nan 0.000 0.581 297 N N 3.563 121.680 118.700 -0.971 0.000 2.725 297 N HA -0.302 4.485 4.740 0.078 0.000 0.251 297 N C -0.087 175.159 175.510 -0.440 0.000 1.031 297 N CA 1.323 53.879 53.050 -0.824 0.000 0.720 297 N CB -0.951 36.894 38.487 -1.070 0.000 0.930 297 N HN 0.774 nan 8.380 nan 0.000 0.543 298 Q N -1.916 117.730 119.800 -0.256 0.000 2.461 298 Q HA -0.189 4.198 4.340 0.078 0.000 0.273 298 Q C 1.322 177.227 176.000 -0.157 0.000 1.163 298 Q CA 2.204 57.930 55.803 -0.129 0.000 0.929 298 Q CB -1.841 26.825 28.738 -0.120 0.000 1.334 298 Q HN 1.164 nan 8.270 nan 0.000 0.499 299 G N -1.143 107.519 108.800 -0.230 0.000 2.189 299 G HA2 -0.415 3.592 3.960 0.078 0.000 0.267 299 G HA3 -0.415 3.592 3.960 0.078 0.000 0.267 299 G C 0.182 174.784 174.900 -0.496 0.000 0.975 299 G CA 0.512 45.431 45.100 -0.302 0.000 0.644 299 G HN 0.488 nan 8.290 nan 0.000 0.537 300 Q N -0.014 119.448 119.800 -0.563 0.000 3.184 300 Q HA 0.468 4.855 4.340 0.078 0.000 0.288 300 Q C -0.096 175.300 176.000 -1.008 0.000 1.412 300 Q CA -0.030 55.150 55.803 -1.038 0.000 0.991 300 Q CB 0.377 28.936 28.738 -0.299 0.000 1.688 300 Q HN 0.339 nan 8.270 nan 0.000 0.554 301 C N 0.297 119.048 119.300 -0.914 0.000 2.431 301 C HA 0.261 4.768 4.460 0.078 0.000 0.321 301 C C 1.941 176.950 174.990 0.033 0.000 1.202 301 C CA -0.915 57.998 59.018 -0.176 0.000 1.398 301 C CB 0.098 27.869 27.740 0.053 0.000 2.047 301 C HN 0.995 nan 8.230 nan 0.000 0.465 302 C N 1.632 121.126 119.300 0.324 0.000 2.403 302 C HA -0.087 4.420 4.460 0.078 0.000 0.279 302 C C 1.822 177.010 174.990 0.331 0.000 1.269 302 C CA 1.499 60.763 59.018 0.410 0.000 1.774 302 C CB -2.365 25.585 27.740 0.350 0.000 1.993 302 C HN 0.979 nan 8.230 nan 0.000 0.496 303 C N 1.088 120.634 119.300 0.411 0.000 2.548 303 C HA 0.770 5.276 4.460 0.078 0.000 0.297 303 C C 1.163 176.425 174.990 0.454 0.000 1.422 303 C CA -0.865 58.429 59.018 0.460 0.000 1.785 303 C CB -2.428 25.735 27.740 0.705 0.000 2.593 303 C HN 0.755 nan 8.230 nan 0.000 0.545 304 A N 0.966 123.940 122.820 0.258 0.000 2.540 304 A HA 0.470 4.837 4.320 0.078 0.000 0.239 304 A C 1.181 178.822 177.584 0.096 0.000 1.061 304 A CA 0.772 52.875 52.037 0.109 0.000 0.758 304 A CB -0.050 18.915 19.000 -0.058 0.000 0.991 304 A HN 1.216 nan 8.150 nan 0.000 0.502 305 G N 1.781 110.524 108.800 -0.094 0.000 3.102 305 G HA2 0.297 4.304 3.960 0.078 0.000 0.264 305 G HA3 0.297 4.304 3.960 0.078 0.000 0.264 305 G C 0.942 175.765 174.900 -0.129 0.000 0.788 305 G CA 0.383 45.409 45.100 -0.123 0.000 2.029 305 G HN 1.146 nan 8.290 nan 0.000 0.608 306 S N 0.340 116.003 115.700 -0.063 0.000 2.607 306 S HA 0.102 4.618 4.470 0.078 0.000 0.224 306 S C 1.023 175.574 174.600 -0.081 0.000 0.969 306 S CA -0.050 58.092 58.200 -0.097 0.000 0.927 306 S CB 0.304 63.454 63.200 -0.082 0.000 0.772 306 S HN 0.434 nan 8.310 nan 0.000 0.533 307 R N 1.683 122.156 120.500 -0.046 0.000 2.513 307 R HA 0.254 4.641 4.340 0.078 0.000 0.283 307 R C -1.222 175.000 176.300 -0.132 0.000 1.535 307 R CA -0.114 55.904 56.100 -0.136 0.000 1.315 307 R CB 1.197 31.463 30.300 -0.056 0.000 1.163 307 R HN 0.134 nan 8.270 nan 0.000 0.573 308 T N 3.695 118.158 114.554 -0.153 0.000 2.855 308 T HA 0.227 4.623 4.350 0.078 0.000 0.290 308 T C -0.064 174.570 174.700 -0.111 0.000 0.941 308 T CA 0.067 62.129 62.100 -0.064 0.000 1.030 308 T CB -0.223 68.638 68.868 -0.011 0.000 0.935 308 T HN 0.151 nan 8.240 nan 0.000 0.564 309 F N 2.639 122.610 119.950 0.035 0.000 2.420 309 F HA 0.438 5.012 4.527 0.078 0.000 0.352 309 F C 0.394 176.342 175.800 0.246 0.000 1.108 309 F CA -0.658 57.419 58.000 0.128 0.000 1.162 309 F CB 0.829 39.782 39.000 -0.079 0.000 1.118 309 F HN 0.180 nan 8.300 nan 0.000 0.510 310 V N 3.767 123.967 119.914 0.476 0.000 2.588 310 V HA 0.252 4.419 4.120 0.078 0.000 0.304 310 V C -0.151 175.932 176.094 -0.018 0.000 1.042 310 V CA -1.169 61.228 62.300 0.163 0.000 0.877 310 V CB 1.652 33.324 31.823 -0.252 0.000 0.996 310 V HN 0.569 nan 8.190 nan 0.000 0.425 311 Q N 2.538 122.081 119.800 -0.429 0.000 2.330 311 Q HA 0.032 4.418 4.340 0.078 0.000 0.279 311 Q C 1.380 177.195 176.000 -0.308 0.000 1.024 311 Q CA 0.238 55.527 55.803 -0.856 0.000 0.900 311 Q CB 1.176 29.581 28.738 -0.555 0.000 1.221 311 Q HN 1.017 nan 8.270 nan 0.000 0.396 312 E N 2.353 122.379 120.200 -0.290 0.000 2.130 312 E HA -0.273 4.124 4.350 0.078 0.000 0.196 312 E C 0.292 176.883 176.600 -0.015 0.000 0.998 312 E CA 1.722 58.060 56.400 -0.102 0.000 0.806 312 E CB 0.056 29.681 29.700 -0.126 0.000 0.738 312 E HN 0.526 nan 8.360 nan 0.000 0.459 313 D N 1.060 121.433 120.400 -0.046 0.000 2.218 313 D HA -0.105 4.581 4.640 0.078 0.000 0.204 313 D C 1.946 178.271 176.300 0.041 0.000 0.976 313 D CA 1.431 55.430 54.000 -0.000 0.000 0.853 313 D CB -0.056 40.737 40.800 -0.012 0.000 0.939 313 D HN 0.634 nan 8.370 nan 0.000 0.481 314 I N -3.694 116.906 120.570 0.050 0.000 4.081 314 I HA 0.195 4.412 4.170 0.078 0.000 0.333 314 I C 1.714 177.912 176.117 0.135 0.000 1.413 314 I CA -0.606 60.748 61.300 0.090 0.000 1.110 314 I CB -0.077 37.976 38.000 0.088 0.000 1.082 314 I HN -0.254 nan 8.210 nan 0.000 0.402 315 Y N 2.736 123.049 120.300 0.021 0.000 2.053 315 Y HA -0.305 4.292 4.550 0.077 0.000 0.277 315 Y C 2.095 178.065 175.900 0.117 0.000 1.159 315 Y CA 2.306 60.438 58.100 0.054 0.000 1.125 315 Y CB -0.076 38.390 38.460 0.010 0.000 0.969 315 Y HN 0.207 nan 8.280 nan 0.000 0.492 316 D N 0.031 120.573 120.400 0.236 0.000 2.104 316 D HA -0.216 4.470 4.640 0.078 0.000 0.194 316 D C 2.097 178.421 176.300 0.040 0.000 0.994 316 D CA 1.741 55.824 54.000 0.138 0.000 0.830 316 D CB -0.443 40.447 40.800 0.151 0.000 0.959 316 D HN 0.586 nan 8.370 nan 0.000 0.452 317 E N -0.619 119.619 120.200 0.063 0.000 2.072 317 E HA -0.157 4.239 4.350 0.078 0.000 0.191 317 E C 2.061 178.673 176.600 0.019 0.000 0.985 317 E CA 0.387 56.810 56.400 0.039 0.000 0.801 317 E CB -0.139 29.597 29.700 0.059 0.000 0.750 317 E HN 0.212 nan 8.360 nan 0.000 0.452 318 F N 0.793 120.685 119.950 -0.098 0.000 2.075 318 F HA -0.215 4.358 4.527 0.077 0.000 0.297 318 F C 2.171 177.871 175.800 -0.168 0.000 1.113 318 F CA 1.281 59.208 58.000 -0.122 0.000 1.218 318 F CB -0.323 38.599 39.000 -0.129 0.000 0.984 318 F HN -0.155 nan 8.300 nan 0.000 0.472 319 V N 0.491 120.374 119.914 -0.052 0.000 2.324 319 V HA -0.347 3.820 4.120 0.078 0.000 0.250 319 V C 2.384 178.394 176.094 -0.139 0.000 1.060 319 V CA 2.385 64.595 62.300 -0.149 0.000 1.042 319 V CB -0.735 30.918 31.823 -0.283 0.000 0.650 319 V HN 0.425 nan 8.190 nan 0.000 0.450 320 E N -0.172 119.962 120.200 -0.109 0.000 2.058 320 E HA -0.250 4.146 4.350 0.078 0.000 0.194 320 E C 2.503 179.025 176.600 -0.129 0.000 0.997 320 E CA 1.464 57.811 56.400 -0.089 0.000 0.801 320 E CB -0.048 29.619 29.700 -0.054 0.000 0.746 320 E HN 0.529 nan 8.360 nan 0.000 0.450 321 R N -0.185 120.205 120.500 -0.182 0.000 2.092 321 R HA -0.039 4.347 4.340 0.078 0.000 0.231 321 R C 2.556 178.694 176.300 -0.270 0.000 1.119 321 R CA 1.312 57.280 56.100 -0.221 0.000 0.970 321 R CB -0.067 30.083 30.300 -0.250 0.000 0.864 321 R HN 0.043 nan 8.270 nan 0.000 0.440 322 S N 0.314 115.809 115.700 -0.343 0.000 2.383 322 S HA -0.079 4.438 4.470 0.078 0.000 0.227 322 S C 2.092 176.621 174.600 -0.118 0.000 1.026 322 S CA 1.047 59.090 58.200 -0.261 0.000 0.981 322 S CB -0.072 62.959 63.200 -0.282 0.000 0.818 322 S HN 0.059 nan 8.310 nan 0.000 0.472 323 V N 2.112 121.961 119.914 -0.108 0.000 2.358 323 V HA -0.172 3.995 4.120 0.078 0.000 0.246 323 V C 2.667 178.702 176.094 -0.098 0.000 1.047 323 V CA 1.627 63.883 62.300 -0.073 0.000 1.035 323 V CB -1.213 30.572 31.823 -0.063 0.000 0.658 323 V HN 0.533 nan 8.190 nan 0.000 0.452 324 A N 0.395 123.143 122.820 -0.119 0.000 1.902 324 A HA -0.262 4.105 4.320 0.078 0.000 0.217 324 A C 2.313 179.799 177.584 -0.163 0.000 1.181 324 A CA 2.205 54.167 52.037 -0.124 0.000 0.623 324 A CB -0.517 18.412 19.000 -0.119 0.000 0.818 324 A HN 0.457 nan 8.150 nan 0.000 0.443 325 R N 0.091 120.460 120.500 -0.217 0.000 2.092 325 R HA 0.042 4.429 4.340 0.078 0.000 0.231 325 R C 2.106 178.187 176.300 -0.365 0.000 1.119 325 R CA 1.795 57.685 56.100 -0.349 0.000 0.970 325 R CB -0.815 29.200 30.300 -0.475 0.000 0.864 325 R HN 0.386 nan 8.270 nan 0.000 0.440 326 A N 0.649 123.343 122.820 -0.209 0.000 1.898 326 A HA -0.124 4.243 4.320 0.078 0.000 0.216 326 A C 1.947 179.419 177.584 -0.187 0.000 1.181 326 A CA 1.578 53.494 52.037 -0.202 0.000 0.620 326 A CB -0.372 18.567 19.000 -0.101 0.000 0.819 326 A HN 0.362 nan 8.150 nan 0.000 0.442 327 K N 0.293 120.610 120.400 -0.138 0.000 2.211 327 K HA -0.093 4.273 4.320 0.078 0.000 0.203 327 K C 2.066 178.598 176.600 -0.113 0.000 1.050 327 K CA 1.455 57.677 56.287 -0.109 0.000 0.945 327 K CB -0.131 32.316 32.500 -0.088 0.000 0.732 327 K HN 0.635 nan 8.250 nan 0.000 0.451 328 S N 0.642 116.259 115.700 -0.138 0.000 2.593 328 S HA -0.011 4.505 4.470 0.078 0.000 0.217 328 S C 0.756 175.282 174.600 -0.123 0.000 0.966 328 S CA -0.333 57.793 58.200 -0.123 0.000 0.914 328 S CB -0.036 63.087 63.200 -0.129 0.000 0.776 328 S HN 0.129 nan 8.310 nan 0.000 0.523 329 R N 1.886 122.298 120.500 -0.145 0.000 2.404 329 R HA 0.250 4.636 4.340 0.078 0.000 0.315 329 R C -0.973 175.285 176.300 -0.070 0.000 1.032 329 R CA -0.179 55.854 56.100 -0.110 0.000 0.992 329 R CB 0.243 30.453 30.300 -0.151 0.000 0.959 329 R HN 0.184 nan 8.270 nan 0.000 0.428 330 V N 6.374 126.263 119.914 -0.041 0.000 2.470 330 V HA 0.084 4.250 4.120 0.078 0.000 0.276 330 V C 0.157 176.247 176.094 -0.008 0.000 1.040 330 V CA -0.167 62.115 62.300 -0.029 0.000 1.008 330 V CB 1.207 33.017 31.823 -0.021 0.000 0.990 330 V HN 0.476 nan 8.190 nan 0.000 0.477 331 V N 4.757 124.662 119.914 -0.015 0.000 2.483 331 V HA 1.020 5.187 4.120 0.078 0.000 0.295 331 V C 0.628 176.679 176.094 -0.071 0.000 1.035 331 V CA 0.465 62.777 62.300 0.020 0.000 0.896 331 V CB 1.081 32.932 31.823 0.047 0.000 0.986 331 V HN 1.137 nan 8.190 nan 0.000 0.447 332 G N 3.076 111.848 108.800 -0.046 0.000 2.360 332 G HA2 0.155 4.161 3.960 0.078 0.000 0.276 332 G HA3 0.155 4.161 3.960 0.078 0.000 0.276 332 G C -1.107 173.796 174.900 0.005 0.000 1.256 332 G CA -0.789 44.185 45.100 -0.210 0.000 0.890 332 G HN 0.687 nan 8.290 nan 0.000 0.486 333 N N 2.048 120.737 118.700 -0.018 0.000 2.434 333 N HA 0.212 4.999 4.740 0.078 0.000 0.268 333 N C -0.511 175.048 175.510 0.081 0.000 1.256 333 N CA -1.231 51.877 53.050 0.097 0.000 0.914 333 N CB 1.429 39.963 38.487 0.079 0.000 1.088 333 N HN 0.150 nan 8.380 nan 0.000 0.478 334 P HA -0.150 nan 4.420 nan 0.000 0.221 334 P C 0.730 177.918 177.300 -0.187 0.000 1.145 334 P CA 1.281 64.303 63.100 -0.129 0.000 0.795 334 P CB -0.063 31.465 31.700 -0.287 0.000 0.775 335 F N -0.229 119.755 119.950 0.056 0.000 2.780 335 F HA 0.073 4.647 4.527 0.078 0.000 0.299 335 F C 0.936 176.751 175.800 0.025 0.000 1.146 335 F CA -0.002 58.011 58.000 0.021 0.000 1.428 335 F CB -0.313 38.650 39.000 -0.062 0.000 1.115 335 F HN -0.195 nan 8.300 nan 0.000 0.583 336 D N -0.347 120.149 120.400 0.159 0.000 2.308 336 D HA 0.083 4.770 4.640 0.078 0.000 0.251 336 D C 1.116 177.474 176.300 0.096 0.000 1.127 336 D CA 0.125 54.186 54.000 0.102 0.000 0.876 336 D CB 1.645 42.480 40.800 0.058 0.000 1.176 336 D HN -0.097 nan 8.370 nan 0.000 0.446 337 S N 2.184 117.938 115.700 0.090 0.000 2.400 337 S HA -0.211 4.306 4.470 0.078 0.000 0.232 337 S C 1.568 176.204 174.600 0.060 0.000 1.025 337 S CA 1.109 59.360 58.200 0.085 0.000 0.993 337 S CB -0.048 63.193 63.200 0.068 0.000 0.808 337 S HN 0.577 nan 8.310 nan 0.000 0.478 338 K N 1.014 121.439 120.400 0.042 0.000 2.459 338 K HA 0.097 4.464 4.320 0.078 0.000 0.193 338 K C -0.086 176.530 176.600 0.027 0.000 1.030 338 K CA 0.427 56.730 56.287 0.027 0.000 1.026 338 K CB -0.294 32.213 32.500 0.011 0.000 0.809 338 K HN -0.004 nan 8.250 nan 0.000 0.504 339 T N 2.514 117.089 114.554 0.036 0.000 2.834 339 T HA 0.061 4.458 4.350 0.078 0.000 0.298 339 T C 0.422 175.149 174.700 0.046 0.000 0.966 339 T CA -0.094 62.028 62.100 0.036 0.000 1.141 339 T CB 1.380 70.274 68.868 0.043 0.000 0.905 339 T HN 0.266 nan 8.240 nan 0.000 0.535 340 E N 1.798 122.025 120.200 0.045 0.000 2.251 340 E HA 0.045 4.442 4.350 0.078 0.000 0.194 340 E C 0.815 177.452 176.600 0.061 0.000 0.964 340 E CA 0.200 56.638 56.400 0.064 0.000 0.868 340 E CB 0.552 30.290 29.700 0.064 0.000 0.828 340 E HN 0.554 nan 8.360 nan 0.000 0.481 341 Q N 0.417 120.252 119.800 0.058 0.000 2.310 341 Q HA 0.425 4.811 4.340 0.078 0.000 0.270 341 Q C -0.510 175.559 176.000 0.114 0.000 1.025 341 Q CA -0.626 55.215 55.803 0.064 0.000 0.772 341 Q CB 1.750 30.532 28.738 0.075 0.000 1.253 341 Q HN 0.128 nan 8.270 nan 0.000 0.450 342 G N 3.245 112.076 108.800 0.051 0.000 2.543 342 G HA2 0.566 4.573 3.960 0.078 0.000 0.267 342 G HA3 0.566 4.573 3.960 0.078 0.000 0.267 342 G C -2.506 172.328 174.900 -0.108 0.000 1.406 342 G CA -0.951 44.185 45.100 0.059 0.000 1.048 342 G HN 0.576 nan 8.290 nan 0.000 0.548 343 P HA 0.223 nan 4.420 nan 0.000 0.279 343 P C -0.911 176.203 177.300 -0.310 0.000 1.276 343 P CA -0.437 62.184 63.100 -0.799 0.000 0.801 343 P CB 1.050 32.012 31.700 -1.231 0.000 1.127 344 Q N -0.064 119.641 119.800 -0.160 0.000 2.354 344 Q HA 0.073 4.459 4.340 0.078 0.000 0.244 344 Q C 1.393 177.295 176.000 -0.164 0.000 0.969 344 Q CA -0.412 55.342 55.803 -0.082 0.000 0.885 344 Q CB 0.601 29.370 28.738 0.053 0.000 1.241 344 Q HN 0.198 nan 8.270 nan 0.000 0.461 345 V N 1.020 120.754 119.914 -0.300 0.000 2.317 345 V HA -0.264 3.902 4.120 0.078 0.000 0.251 345 V C 0.477 176.328 176.094 -0.405 0.000 1.065 345 V CA 2.873 64.904 62.300 -0.448 0.000 1.049 345 V CB -0.096 31.131 31.823 -0.993 0.000 0.651 345 V HN 1.021 nan 8.190 nan 0.000 0.450 346 D N -3.660 116.427 120.400 -0.521 0.000 2.677 346 D HA 0.127 4.814 4.640 0.078 0.000 0.298 346 D C 0.677 176.334 176.300 -1.071 0.000 1.250 346 D CA -0.030 53.567 54.000 -0.672 0.000 0.888 346 D CB 0.690 41.211 40.800 -0.464 0.000 1.397 346 D HN 0.033 nan 8.370 nan 0.000 0.461 347 E N -0.562 118.896 120.200 -1.237 0.000 2.077 347 E HA -0.163 4.233 4.350 0.078 0.000 0.193 347 E C 1.177 177.612 176.600 -0.275 0.000 0.989 347 E CA 1.784 57.672 56.400 -0.854 0.000 0.800 347 E CB -0.092 29.356 29.700 -0.420 0.000 0.746 347 E HN 0.535 nan 8.360 nan 0.000 0.452 348 T N 1.251 115.669 114.554 -0.228 0.000 2.684 348 T HA -0.186 4.211 4.350 0.078 0.000 0.267 348 T C 1.835 176.498 174.700 -0.061 0.000 1.036 348 T CA 1.257 63.294 62.100 -0.104 0.000 1.148 348 T CB -0.184 68.633 68.868 -0.085 0.000 0.863 348 T HN 0.161 nan 8.240 nan 0.000 0.436 349 Q N -0.126 119.612 119.800 -0.104 0.000 2.124 349 Q HA -0.013 4.373 4.340 0.078 0.000 0.202 349 Q C 2.082 178.116 176.000 0.058 0.000 0.977 349 Q CA 1.037 56.835 55.803 -0.008 0.000 0.850 349 Q CB -0.557 28.135 28.738 -0.077 0.000 0.901 349 Q HN 0.565 nan 8.270 nan 0.000 0.429 350 F N 1.846 121.700 119.950 -0.161 0.000 2.095 350 F HA -0.237 4.337 4.527 0.077 0.000 0.298 350 F C 1.985 177.777 175.800 -0.014 0.000 1.104 350 F CA 1.659 59.614 58.000 -0.075 0.000 1.232 350 F CB 0.057 38.988 39.000 -0.114 0.000 0.987 350 F HN -0.032 nan 8.300 nan 0.000 0.475 351 K N -0.009 120.397 120.400 0.010 0.000 2.062 351 K HA -0.160 4.206 4.320 0.078 0.000 0.205 351 K C 2.160 178.706 176.600 -0.091 0.000 1.051 351 K CA 1.295 57.530 56.287 -0.086 0.000 0.941 351 K CB -0.277 32.221 32.500 -0.004 0.000 0.719 351 K HN 0.170 nan 8.250 nan 0.000 0.440 352 K N 1.346 121.725 120.400 -0.035 0.000 2.074 352 K HA -0.159 4.208 4.320 0.078 0.000 0.209 352 K C 1.985 178.609 176.600 0.041 0.000 1.048 352 K CA 1.385 57.657 56.287 -0.025 0.000 0.926 352 K CB -0.077 32.467 32.500 0.073 0.000 0.713 352 K HN 0.068 nan 8.250 nan 0.000 0.444 353 I N 0.797 121.424 120.570 0.096 0.000 2.163 353 I HA -0.299 3.917 4.170 0.078 0.000 0.240 353 I C 2.184 178.335 176.117 0.058 0.000 1.081 353 I CA 1.082 62.473 61.300 0.151 0.000 1.353 353 I CB -0.263 37.790 38.000 0.088 0.000 1.054 353 I HN 0.173 nan 8.210 nan 0.000 0.407 354 L N 0.598 121.758 121.223 -0.104 0.000 2.079 354 L HA -0.186 4.200 4.340 0.078 0.000 0.210 354 L C 2.662 179.501 176.870 -0.052 0.000 1.081 354 L CA 1.605 56.373 54.840 -0.120 0.000 0.752 354 L CB -1.152 40.751 42.059 -0.260 0.000 0.896 354 L HN 0.356 nan 8.230 nan 0.000 0.433 355 G N -1.155 107.591 108.800 -0.090 0.000 2.418 355 G HA2 -0.280 3.727 3.960 0.078 0.000 0.217 355 G HA3 -0.280 3.727 3.960 0.078 0.000 0.217 355 G C 1.367 176.203 174.900 -0.106 0.000 1.158 355 G CA 0.577 45.598 45.100 -0.132 0.000 0.771 355 G HN 0.310 nan 8.290 nan 0.000 0.545 356 Y N 0.473 120.769 120.300 -0.007 0.000 2.224 356 Y HA -0.010 4.586 4.550 0.078 0.000 0.289 356 Y C 2.777 178.676 175.900 -0.001 0.000 1.146 356 Y CA 0.598 58.692 58.100 -0.010 0.000 1.182 356 Y CB -0.068 38.393 38.460 0.002 0.000 0.983 356 Y HN 0.116 nan 8.280 nan 0.000 0.524 357 I N -0.087 120.609 120.570 0.211 0.000 2.163 357 I HA -0.353 3.864 4.170 0.078 0.000 0.243 357 I C 2.252 178.502 176.117 0.222 0.000 1.085 357 I CA 1.477 62.940 61.300 0.272 0.000 1.347 357 I CB -0.397 37.735 38.000 0.219 0.000 1.044 357 I HN 0.265 nan 8.210 nan 0.000 0.408 358 N N 0.585 119.351 118.700 0.111 0.000 2.120 358 N HA -0.152 4.635 4.740 0.078 0.000 0.188 358 N C 1.776 177.315 175.510 0.048 0.000 1.024 358 N CA 1.785 54.879 53.050 0.074 0.000 0.852 358 N CB -0.266 38.235 38.487 0.023 0.000 1.003 358 N HN 0.178 nan 8.380 nan 0.000 0.424 359 T N -0.865 113.700 114.554 0.019 0.000 2.833 359 T HA -0.058 4.338 4.350 0.078 0.000 0.269 359 T C 1.670 176.344 174.700 -0.043 0.000 1.054 359 T CA 1.312 63.409 62.100 -0.004 0.000 1.135 359 T CB -0.728 68.147 68.868 0.011 0.000 0.869 359 T HN 0.444 nan 8.240 nan 0.000 0.466 360 G N 1.744 110.476 108.800 -0.112 0.000 2.404 360 G HA2 -0.176 3.830 3.960 0.078 0.000 0.215 360 G HA3 -0.176 3.830 3.960 0.078 0.000 0.215 360 G C 1.592 176.392 174.900 -0.166 0.000 1.174 360 G CA 0.549 45.401 45.100 -0.412 0.000 0.780 360 G HN 0.439 nan 8.290 nan 0.000 0.537 361 K N 0.160 120.625 120.400 0.109 0.000 2.057 361 K HA -0.070 4.297 4.320 0.078 0.000 0.207 361 K C 2.673 179.322 176.600 0.083 0.000 1.049 361 K CA 1.116 57.516 56.287 0.189 0.000 0.931 361 K CB -0.179 32.439 32.500 0.196 0.000 0.714 361 K HN 0.231 nan 8.250 nan 0.000 0.440 362 Q N 1.091 120.918 119.800 0.045 0.000 2.135 362 Q HA -0.179 4.208 4.340 0.078 0.000 0.204 362 Q C 1.580 177.588 176.000 0.014 0.000 0.981 362 Q CA 1.454 57.272 55.803 0.025 0.000 0.856 362 Q CB -0.141 28.605 28.738 0.012 0.000 0.902 362 Q HN 0.512 nan 8.270 nan 0.000 0.425 363 E N -0.736 119.461 120.200 -0.005 0.000 2.481 363 E HA 0.068 4.465 4.350 0.078 0.000 0.195 363 E C 0.826 177.426 176.600 -0.000 0.000 1.047 363 E CA 0.390 56.784 56.400 -0.012 0.000 0.867 363 E CB 0.258 29.937 29.700 -0.035 0.000 0.858 363 E HN 0.540 nan 8.360 nan 0.000 0.513 364 G N 0.973 109.785 108.800 0.020 0.000 2.184 364 G HA2 -0.248 3.758 3.960 0.078 0.000 0.206 364 G HA3 -0.248 3.758 3.960 0.078 0.000 0.206 364 G C 0.362 175.300 174.900 0.063 0.000 0.995 364 G CA -0.158 44.966 45.100 0.040 0.000 0.651 364 G HN 0.435 nan 8.290 nan 0.000 0.511 365 A N 0.379 123.233 122.820 0.056 0.000 2.477 365 A HA 0.574 4.941 4.320 0.078 0.000 0.246 365 A C 0.628 178.395 177.584 0.305 0.000 1.078 365 A CA 0.703 52.818 52.037 0.130 0.000 0.770 365 A CB 0.364 19.326 19.000 -0.064 0.000 1.011 365 A HN 0.545 nan 8.150 nan 0.000 0.494 366 K N 2.696 123.265 120.400 0.281 0.000 2.292 366 K HA 0.254 4.621 4.320 0.078 0.000 0.290 366 K C -0.689 176.014 176.600 0.172 0.000 1.083 366 K CA -0.480 55.933 56.287 0.210 0.000 0.918 366 K CB 0.110 32.698 32.500 0.146 0.000 1.089 366 K HN 0.581 nan 8.250 nan 0.000 0.473 367 L N 6.610 127.866 121.223 0.056 0.000 2.456 367 L HA 0.060 4.446 4.340 0.078 0.000 0.277 367 L C 0.353 177.126 176.870 -0.162 0.000 1.124 367 L CA 0.575 55.255 54.840 -0.267 0.000 0.880 367 L CB 0.351 42.272 42.059 -0.231 0.000 1.192 367 L HN 0.795 nan 8.230 nan 0.000 0.463 368 L N 4.711 125.825 121.223 -0.182 0.000 2.416 368 L HA 0.183 4.570 4.340 0.078 0.000 0.216 368 L C 0.475 177.287 176.870 -0.097 0.000 1.098 368 L CA 0.221 55.007 54.840 -0.091 0.000 0.840 368 L CB -0.148 41.883 42.059 -0.046 0.000 0.981 368 L HN 0.829 nan 8.230 nan 0.000 0.462 369 C N -3.337 115.879 119.300 -0.140 0.000 3.253 369 C HA 0.718 5.225 4.460 0.078 0.000 0.342 369 C C 0.676 175.599 174.990 -0.111 0.000 1.306 369 C CA -0.687 58.270 59.018 -0.100 0.000 1.207 369 C CB 0.776 28.474 27.740 -0.069 0.000 1.479 369 C HN 0.611 nan 8.230 nan 0.000 0.469 370 G N 0.875 109.633 108.800 -0.070 0.000 2.566 370 G HA2 0.351 4.358 3.960 0.078 0.000 0.280 370 G HA3 0.351 4.358 3.960 0.078 0.000 0.280 370 G C 1.293 176.157 174.900 -0.061 0.000 1.225 370 G CA 2.303 47.376 45.100 -0.046 0.000 0.966 370 G HN 3.348 nan 8.290 nan 0.000 0.560 371 G N -2.258 106.521 108.800 -0.035 0.000 2.184 371 G HA2 0.455 4.461 3.960 0.078 0.000 0.206 371 G HA3 0.455 4.461 3.960 0.078 0.000 0.206 371 G C 1.352 176.259 174.900 0.010 0.000 0.995 371 G CA 0.946 46.033 45.100 -0.022 0.000 0.651 371 G HN 2.568 nan 8.290 nan 0.000 0.511 372 G N -0.960 107.850 108.800 0.016 0.000 2.866 372 G HA2 0.672 4.679 3.960 0.078 0.000 0.289 372 G HA3 0.672 4.679 3.960 0.078 0.000 0.289 372 G C -0.236 174.697 174.900 0.055 0.000 1.396 372 G CA -0.834 44.280 45.100 0.023 0.000 0.848 372 G HN 0.610 nan 8.290 nan 0.000 0.515 373 I N 1.114 121.734 120.570 0.084 0.000 2.648 373 I HA 0.200 4.417 4.170 0.078 0.000 0.284 373 I C 1.438 177.651 176.117 0.160 0.000 1.153 373 I CA 0.073 61.487 61.300 0.191 0.000 1.426 373 I CB 1.596 39.751 38.000 0.259 0.000 1.381 373 I HN 0.557 nan 8.210 nan 0.000 0.571 374 A N 5.171 128.116 122.820 0.209 0.000 2.267 374 A HA 0.660 5.026 4.320 0.078 0.000 0.213 374 A C 0.706 178.314 177.584 0.039 0.000 1.192 374 A CA 0.572 52.679 52.037 0.118 0.000 0.851 374 A CB 0.127 19.211 19.000 0.140 0.000 0.881 374 A HN 0.833 nan 8.150 nan 0.000 0.494 375 A N -1.011 121.863 122.820 0.089 0.000 2.599 375 A HA 0.519 4.886 4.320 0.078 0.000 0.294 375 A C -0.570 177.046 177.584 0.054 0.000 1.055 375 A CA -0.252 51.780 52.037 -0.009 0.000 0.683 375 A CB 0.241 19.115 19.000 -0.211 0.000 1.278 375 A HN -0.061 nan 8.150 nan 0.000 0.412 376 D N 0.214 120.618 120.400 0.006 0.000 2.183 376 D HA -0.014 4.673 4.640 0.078 0.000 0.203 376 D C 0.805 177.096 176.300 -0.015 0.000 0.969 376 D CA 1.266 55.273 54.000 0.012 0.000 0.842 376 D CB 0.192 40.987 40.800 -0.007 0.000 0.957 376 D HN 0.505 nan 8.370 nan 0.000 0.484 377 R N -0.073 120.410 120.500 -0.028 0.000 2.460 377 R HA 0.471 4.857 4.340 0.078 0.000 0.303 377 R C 0.109 176.409 176.300 0.000 0.000 0.968 377 R CA 0.098 56.165 56.100 -0.056 0.000 0.889 377 R CB 1.197 31.467 30.300 -0.049 0.000 1.123 377 R HN 0.136 nan 8.270 nan 0.000 0.455 378 G N 2.237 110.890 108.800 -0.244 0.000 2.781 378 G HA2 -0.282 3.725 3.960 0.078 0.000 0.683 378 G HA3 -0.282 3.725 3.960 0.078 0.000 0.683 378 G C -0.904 173.575 174.900 -0.703 0.000 1.390 378 G CA -0.534 44.283 45.100 -0.472 0.000 0.850 378 G HN 0.692 nan 8.290 nan 0.000 0.557 379 Y N -0.071 119.874 120.300 -0.592 0.000 2.903 379 Y HA 0.494 5.091 4.550 0.078 0.000 0.387 379 Y C 0.768 176.439 175.900 -0.381 0.000 1.189 379 Y CA -0.631 56.986 58.100 -0.805 0.000 1.856 379 Y CB -0.157 37.933 38.460 -0.617 0.000 1.917 379 Y HN 0.334 nan 8.280 nan 0.000 0.448 380 F N 1.475 121.452 119.950 0.046 0.000 2.404 380 F HA 0.491 5.065 4.527 0.078 0.000 0.345 380 F C 0.226 176.226 175.800 0.334 0.000 1.110 380 F CA -0.854 57.246 58.000 0.166 0.000 1.130 380 F CB 0.729 39.762 39.000 0.054 0.000 1.129 380 F HN 0.025 nan 8.300 nan 0.000 0.500 381 I N 2.381 123.198 120.570 0.412 0.000 2.646 381 I HA 0.273 4.490 4.170 0.078 0.000 0.299 381 I C -0.558 175.679 176.117 0.200 0.000 1.036 381 I CA -1.076 60.390 61.300 0.278 0.000 1.074 381 I CB 2.073 40.183 38.000 0.184 0.000 1.258 381 I HN 0.520 nan 8.210 nan 0.000 0.430 382 Q N 5.008 124.891 119.800 0.137 0.000 2.373 382 Q HA 0.235 4.622 4.340 0.078 0.000 0.255 382 Q C -2.351 173.707 176.000 0.097 0.000 0.980 382 Q CA -1.616 54.240 55.803 0.089 0.000 0.882 382 Q CB 0.162 28.928 28.738 0.047 0.000 1.249 382 Q HN 0.249 nan 8.270 nan 0.000 0.438 383 P HA -0.002 nan 4.420 nan 0.000 0.264 383 P C -1.130 176.248 177.300 0.130 0.000 1.229 383 P CA 0.442 63.603 63.100 0.103 0.000 0.780 383 P CB 0.533 32.095 31.700 -0.231 0.000 0.808 384 T N 2.906 117.595 114.554 0.225 0.000 2.859 384 T HA 0.502 4.899 4.350 0.078 0.000 0.281 384 T C -0.216 174.549 174.700 0.109 0.000 1.005 384 T CA -0.448 61.700 62.100 0.080 0.000 1.025 384 T CB 1.041 69.927 68.868 0.029 0.000 0.977 384 T HN -0.055 nan 8.240 nan 0.000 0.458 385 V N 3.183 123.069 119.914 -0.046 0.000 2.638 385 V HA 0.537 4.704 4.120 0.078 0.000 0.306 385 V C -1.133 174.866 176.094 -0.158 0.000 1.052 385 V CA -0.939 61.362 62.300 0.003 0.000 0.885 385 V CB 1.482 33.340 31.823 0.059 0.000 0.999 385 V HN 0.820 nan 8.190 nan 0.000 0.424 386 F N 2.148 122.126 119.950 0.047 0.000 2.458 386 F HA 0.777 5.350 4.527 0.077 0.000 0.336 386 F C 0.907 176.743 175.800 0.059 0.000 1.114 386 F CA -0.228 57.800 58.000 0.045 0.000 0.987 386 F CB 2.110 41.129 39.000 0.030 0.000 1.130 386 F HN 0.620 nan 8.300 nan 0.000 0.458 387 G N 0.692 109.647 108.800 0.259 0.000 2.491 387 G HA2 0.319 4.325 3.960 0.078 0.000 0.327 387 G HA3 0.319 4.325 3.960 0.078 0.000 0.327 387 G C -0.422 174.626 174.900 0.247 0.000 1.189 387 G CA -0.637 44.612 45.100 0.248 0.000 0.956 387 G HN 0.729 nan 8.290 nan 0.000 0.491 388 D N -1.114 119.453 120.400 0.279 0.000 2.737 388 D HA -0.165 4.522 4.640 0.078 0.000 0.233 388 D C 0.715 177.069 176.300 0.089 0.000 1.155 388 D CA 0.653 54.735 54.000 0.137 0.000 0.667 388 D CB -1.023 39.832 40.800 0.091 0.000 1.060 388 D HN 0.163 nan 8.370 nan 0.000 0.427 389 V N 0.604 120.569 119.914 0.085 0.000 2.811 389 V HA 0.038 4.205 4.120 0.078 0.000 0.302 389 V C 0.870 176.964 176.094 -0.001 0.000 1.063 389 V CA 0.234 62.547 62.300 0.021 0.000 1.088 389 V CB 1.690 33.505 31.823 -0.013 0.000 0.982 389 V HN 0.067 nan 8.190 nan 0.000 0.485 390 Q N 1.469 121.265 119.800 -0.008 0.000 2.345 390 Q HA 0.317 4.703 4.340 0.078 0.000 0.268 390 Q C 0.328 176.334 176.000 0.009 0.000 1.054 390 Q CA -0.743 55.066 55.803 0.009 0.000 0.835 390 Q CB 1.768 30.515 28.738 0.014 0.000 1.339 390 Q HN 0.695 nan 8.270 nan 0.000 0.447 391 D N 1.346 121.771 120.400 0.042 0.000 2.190 391 D HA -0.146 4.540 4.640 0.078 0.000 0.200 391 D C 1.540 177.863 176.300 0.037 0.000 0.992 391 D CA 1.754 55.789 54.000 0.058 0.000 0.854 391 D CB -0.051 40.807 40.800 0.097 0.000 0.936 391 D HN 0.832 nan 8.370 nan 0.000 0.462 392 G N -0.149 108.667 108.800 0.027 0.000 2.484 392 G HA2 -0.074 3.933 3.960 0.078 0.000 0.218 392 G HA3 -0.074 3.933 3.960 0.078 0.000 0.218 392 G C 0.794 175.700 174.900 0.009 0.000 1.130 392 G CA -0.115 44.997 45.100 0.019 0.000 0.784 392 G HN 0.181 nan 8.290 nan 0.000 0.543 393 M N 0.761 120.359 119.600 -0.004 0.000 2.252 393 M HA 0.084 4.610 4.480 0.078 0.000 0.333 393 M C 1.816 178.106 176.300 -0.016 0.000 1.111 393 M CA 0.059 55.346 55.300 -0.022 0.000 1.140 393 M CB 0.712 33.279 32.600 -0.054 0.000 1.538 393 M HN -0.063 nan 8.290 nan 0.000 0.448 394 T N 2.338 116.887 114.554 -0.008 0.000 2.746 394 T HA -0.088 4.308 4.350 0.078 0.000 0.267 394 T C 1.548 176.249 174.700 0.001 0.000 1.039 394 T CA 1.586 63.704 62.100 0.031 0.000 1.142 394 T CB -0.390 68.526 68.868 0.079 0.000 0.866 394 T HN 0.768 nan 8.240 nan 0.000 0.444 395 I N -0.313 120.220 120.570 -0.062 0.000 3.083 395 I HA 0.163 4.379 4.170 0.078 0.000 0.273 395 I C 2.105 178.147 176.117 -0.126 0.000 1.297 395 I CA 0.826 62.042 61.300 -0.140 0.000 1.452 395 I CB -0.370 37.474 38.000 -0.259 0.000 1.078 395 I HN 0.079 nan 8.210 nan 0.000 0.484 396 A N 0.774 123.547 122.820 -0.079 0.000 2.348 396 A HA 0.242 4.609 4.320 0.078 0.000 0.224 396 A C 2.043 179.628 177.584 0.001 0.000 1.227 396 A CA -0.001 52.005 52.037 -0.052 0.000 0.885 396 A CB -0.008 18.964 19.000 -0.046 0.000 0.933 396 A HN 0.425 nan 8.150 nan 0.000 0.506 397 K N -0.373 120.033 120.400 0.011 0.000 2.403 397 K HA 0.171 4.537 4.320 0.078 0.000 0.199 397 K C -0.139 176.518 176.600 0.096 0.000 1.199 397 K CA 0.220 56.544 56.287 0.061 0.000 0.924 397 K CB 0.610 33.142 32.500 0.053 0.000 1.137 397 K HN 0.380 nan 8.250 nan 0.000 0.510 398 E N 1.968 122.185 120.200 0.029 0.000 2.216 398 E HA 0.074 4.471 4.350 0.078 0.000 0.279 398 E C -0.995 175.509 176.600 -0.160 0.000 0.997 398 E CA -0.299 56.107 56.400 0.009 0.000 0.817 398 E CB 1.602 31.337 29.700 0.059 0.000 1.096 398 E HN 0.069 nan 8.360 nan 0.000 0.393 399 E N 3.685 123.832 120.200 -0.087 0.000 2.220 399 E HA -0.009 4.388 4.350 0.078 0.000 0.272 399 E C 0.376 176.841 176.600 -0.224 0.000 1.099 399 E CA -0.047 56.270 56.400 -0.139 0.000 0.907 399 E CB 0.338 29.957 29.700 -0.135 0.000 1.022 399 E HN 0.554 nan 8.360 nan 0.000 0.428 400 I N 4.430 124.825 120.570 -0.291 0.000 2.333 400 I HA -0.129 4.088 4.170 0.078 0.000 0.246 400 I C 0.653 176.855 176.117 0.141 0.000 1.106 400 I CA 0.269 61.391 61.300 -0.297 0.000 1.411 400 I CB -0.033 37.803 38.000 -0.273 0.000 1.082 400 I HN 0.682 nan 8.210 nan 0.000 0.420 401 F N 1.296 121.199 119.950 -0.078 0.000 3.043 401 F HA -0.168 4.405 4.527 0.077 0.000 0.290 401 F C 0.422 176.243 175.800 0.036 0.000 0.844 401 F CA 0.615 58.617 58.000 0.003 0.000 1.184 401 F CB -1.410 37.640 39.000 0.082 0.000 1.246 401 F HN 0.149 nan 8.300 nan 0.000 0.536 402 G N -0.646 108.167 108.800 0.022 0.000 2.708 402 G HA2 0.637 4.643 3.960 0.078 0.000 0.289 402 G HA3 0.637 4.643 3.960 0.078 0.000 0.289 402 G C -2.898 171.968 174.900 -0.056 0.000 1.416 402 G CA -0.861 44.246 45.100 0.011 0.000 0.829 402 G HN -0.152 nan 8.290 nan 0.000 0.480 403 P HA 0.201 nan 4.420 nan 0.000 0.237 403 P C -0.556 176.779 177.300 0.059 0.000 1.701 403 P CA 0.069 63.202 63.100 0.055 0.000 0.955 403 P CB 0.063 31.940 31.700 0.295 0.000 1.937 404 V N 3.255 123.111 119.914 -0.097 0.000 2.409 404 V HA 0.341 4.508 4.120 0.078 0.000 0.290 404 V C 0.247 176.279 176.094 -0.103 0.000 1.017 404 V CA -0.687 61.618 62.300 0.010 0.000 0.841 404 V CB 2.021 33.919 31.823 0.124 0.000 1.003 404 V HN 0.288 nan 8.190 nan 0.000 0.426 405 M N 4.290 123.844 119.600 -0.077 0.000 2.264 405 M HA 0.623 5.150 4.480 0.078 0.000 0.352 405 M C -0.904 175.432 176.300 0.060 0.000 1.173 405 M CA -0.260 54.976 55.300 -0.106 0.000 1.075 405 M CB 1.482 34.010 32.600 -0.120 0.000 1.621 405 M HN 0.608 nan 8.290 nan 0.000 0.457 406 Q N 5.041 124.842 119.800 0.002 0.000 2.333 406 Q HA 0.563 4.950 4.340 0.078 0.000 0.268 406 Q C -1.261 174.735 176.000 -0.008 0.000 1.007 406 Q CA -0.011 55.809 55.803 0.029 0.000 0.810 406 Q CB 1.907 30.612 28.738 -0.054 0.000 1.264 406 Q HN 0.721 nan 8.270 nan 0.000 0.452 407 I N 4.189 124.796 120.570 0.062 0.000 2.330 407 I HA 0.347 4.563 4.170 0.078 0.000 0.289 407 I C -0.905 175.273 176.117 0.102 0.000 1.001 407 I CA -0.838 60.503 61.300 0.069 0.000 1.193 407 I CB 0.740 38.810 38.000 0.117 0.000 1.345 407 I HN 0.340 nan 8.210 nan 0.000 0.461 408 L N 6.872 128.086 121.223 -0.014 0.000 2.330 408 L HA 0.520 4.907 4.340 0.078 0.000 0.271 408 L C -0.033 176.969 176.870 0.220 0.000 1.013 408 L CA -0.452 54.388 54.840 -0.000 0.000 0.816 408 L CB 1.355 43.206 42.059 -0.346 0.000 1.287 408 L HN 0.445 nan 8.230 nan 0.000 0.435 409 K N 1.829 122.339 120.400 0.183 0.000 2.156 409 K HA 0.721 5.088 4.320 0.078 0.000 0.254 409 K C -1.458 175.323 176.600 0.302 0.000 0.950 409 K CA -0.488 55.895 56.287 0.160 0.000 0.849 409 K CB 1.393 33.717 32.500 -0.293 0.000 1.100 409 K HN 0.537 nan 8.250 nan 0.000 0.434 410 F N 0.576 120.599 119.950 0.121 0.000 2.662 410 F HA 0.438 5.012 4.527 0.078 0.000 0.312 410 F C 0.141 175.982 175.800 0.070 0.000 1.113 410 F CA -0.933 57.137 58.000 0.116 0.000 0.951 410 F CB 1.606 40.710 39.000 0.173 0.000 1.344 410 F HN 0.516 nan 8.300 nan 0.000 0.462 411 K N 0.051 120.521 120.400 0.116 0.000 2.266 411 K HA 0.211 4.577 4.320 0.078 0.000 0.209 411 K C 0.306 176.949 176.600 0.072 0.000 1.065 411 K CA 1.056 57.333 56.287 -0.017 0.000 0.946 411 K CB 0.277 32.791 32.500 0.022 0.000 1.069 411 K HN 0.902 nan 8.250 nan 0.000 0.472 412 T N -2.111 112.577 114.554 0.224 0.000 2.952 412 T HA 0.269 4.665 4.350 0.078 0.000 0.286 412 T C 1.142 176.031 174.700 0.314 0.000 1.024 412 T CA -0.862 61.362 62.100 0.207 0.000 1.029 412 T CB 1.430 70.364 68.868 0.110 0.000 1.094 412 T HN 0.175 nan 8.240 nan 0.000 0.515 413 I N 0.305 121.005 120.570 0.217 0.000 2.439 413 I HA -0.069 4.148 4.170 0.078 0.000 0.251 413 I C 2.004 178.219 176.117 0.163 0.000 1.139 413 I CA 1.353 62.769 61.300 0.193 0.000 1.438 413 I CB -0.024 38.054 38.000 0.131 0.000 1.085 413 I HN 0.752 nan 8.210 nan 0.000 0.427 414 E N 0.611 120.886 120.200 0.126 0.000 2.152 414 E HA -0.253 4.143 4.350 0.078 0.000 0.192 414 E C 1.908 178.553 176.600 0.075 0.000 0.983 414 E CA 1.078 57.560 56.400 0.138 0.000 0.818 414 E CB -0.176 29.577 29.700 0.089 0.000 0.758 414 E HN 0.525 nan 8.360 nan 0.000 0.467 415 E N 0.563 120.806 120.200 0.072 0.000 2.028 415 E HA -0.170 4.227 4.350 0.078 0.000 0.191 415 E C 2.101 178.665 176.600 -0.060 0.000 0.988 415 E CA 1.151 57.579 56.400 0.046 0.000 0.799 415 E CB -0.081 29.691 29.700 0.120 0.000 0.755 415 E HN 0.156 nan 8.360 nan 0.000 0.447 416 V N 0.581 120.395 119.914 -0.166 0.000 2.392 416 V HA -0.215 3.951 4.120 0.078 0.000 0.249 416 V C 2.365 178.177 176.094 -0.470 0.000 1.059 416 V CA 1.506 63.479 62.300 -0.546 0.000 1.051 416 V CB -0.053 31.072 31.823 -1.163 0.000 0.658 416 V HN 0.237 nan 8.190 nan 0.000 0.455 417 V N 0.585 120.350 119.914 -0.248 0.000 2.255 417 V HA -0.197 3.969 4.120 0.078 0.000 0.247 417 V C 2.673 178.659 176.094 -0.179 0.000 1.051 417 V CA 2.334 64.512 62.300 -0.204 0.000 1.018 417 V CB -1.436 30.315 31.823 -0.120 0.000 0.641 417 V HN 0.634 nan 8.190 nan 0.000 0.445 418 G N -0.539 108.191 108.800 -0.116 0.000 2.422 418 G HA2 -0.233 3.774 3.960 0.078 0.000 0.218 418 G HA3 -0.233 3.774 3.960 0.078 0.000 0.218 418 G C 1.743 176.590 174.900 -0.088 0.000 1.146 418 G CA 0.707 45.760 45.100 -0.078 0.000 0.769 418 G HN 0.463 nan 8.290 nan 0.000 0.547 419 R N 0.355 120.773 120.500 -0.137 0.000 2.090 419 R HA 0.163 4.549 4.340 0.078 0.000 0.228 419 R C 2.993 179.206 176.300 -0.145 0.000 1.110 419 R CA 0.953 56.996 56.100 -0.094 0.000 0.973 419 R CB -0.284 29.987 30.300 -0.049 0.000 0.869 419 R HN 0.329 nan 8.270 nan 0.000 0.440 420 A N 1.524 124.113 122.820 -0.385 0.000 1.930 420 A HA -0.135 4.232 4.320 0.078 0.000 0.217 420 A C 1.638 179.163 177.584 -0.098 0.000 1.175 420 A CA 1.331 53.181 52.037 -0.312 0.000 0.627 420 A CB -0.294 18.439 19.000 -0.445 0.000 0.815 420 A HN 0.206 nan 8.150 nan 0.000 0.443 421 N N 0.379 119.016 118.700 -0.105 0.000 2.409 421 N HA -0.071 4.715 4.740 0.078 0.000 0.179 421 N C 0.430 175.933 175.510 -0.012 0.000 1.032 421 N CA 0.425 53.445 53.050 -0.051 0.000 0.898 421 N CB -0.495 37.955 38.487 -0.063 0.000 0.971 421 N HN 0.387 nan 8.380 nan 0.000 0.441 422 N N 1.248 119.944 118.700 -0.007 0.000 2.605 422 N HA 0.014 4.801 4.740 0.078 0.000 0.282 422 N C -1.205 174.328 175.510 0.038 0.000 1.206 422 N CA 0.226 53.285 53.050 0.014 0.000 1.074 422 N CB -0.294 38.204 38.487 0.019 0.000 1.434 422 N HN -0.037 nan 8.380 nan 0.000 0.506 423 S N 0.415 116.132 115.700 0.029 0.000 2.567 423 S HA 0.295 4.812 4.470 0.078 0.000 0.270 423 S C 0.748 175.336 174.600 -0.021 0.000 1.152 423 S CA -0.583 57.639 58.200 0.037 0.000 0.835 423 S CB 0.414 63.682 63.200 0.113 0.000 1.115 423 S HN 0.318 nan 8.310 nan 0.000 0.459 424 T N 1.846 116.326 114.554 -0.125 0.000 3.023 424 T HA 0.159 4.555 4.350 0.078 0.000 0.266 424 T C 0.177 174.709 174.700 -0.281 0.000 1.093 424 T CA 1.182 63.125 62.100 -0.262 0.000 1.129 424 T CB -0.370 68.219 68.868 -0.465 0.000 0.899 424 T HN 0.549 nan 8.240 nan 0.000 0.491 425 Y N 0.086 120.404 120.300 0.031 0.000 2.432 425 Y HA 0.583 5.179 4.550 0.077 0.000 0.322 425 Y C 1.215 177.130 175.900 0.024 0.000 1.246 425 Y CA -0.951 57.168 58.100 0.032 0.000 1.268 425 Y CB 1.438 39.923 38.460 0.042 0.000 1.276 425 Y HN 0.002 nan 8.280 nan 0.000 0.499 426 G N 0.854 109.777 108.800 0.205 0.000 5.374 426 G HA2 0.096 4.103 3.960 0.078 0.000 0.198 426 G HA3 0.096 4.103 3.960 0.078 0.000 0.198 426 G C -0.177 174.690 174.900 -0.054 0.000 0.812 426 G CA -0.268 44.863 45.100 0.052 0.000 0.614 426 G HN 0.545 nan 8.290 nan 0.000 0.357 427 L N 0.585 121.795 121.223 -0.021 0.000 2.068 427 L HA 0.741 5.127 4.340 0.078 0.000 0.204 427 L C 1.134 177.881 176.870 -0.204 0.000 1.076 427 L CA 2.269 57.037 54.840 -0.120 0.000 0.753 427 L CB -0.015 42.033 42.059 -0.019 0.000 0.910 427 L HN 0.493 nan 8.230 nan 0.000 0.439 428 A N -2.200 120.564 122.820 -0.094 0.000 2.588 428 A HA 0.899 5.265 4.320 0.078 0.000 0.290 428 A C -1.405 176.157 177.584 -0.038 0.000 1.136 428 A CA -0.103 51.837 52.037 -0.162 0.000 0.681 428 A CB 0.851 19.838 19.000 -0.022 0.000 1.282 428 A HN 0.528 nan 8.150 nan 0.000 0.421 429 A N -1.267 121.519 122.820 -0.056 0.000 2.566 429 A HA 1.026 5.393 4.320 0.078 0.000 0.290 429 A C -0.717 176.990 177.584 0.205 0.000 1.071 429 A CA 0.096 52.201 52.037 0.112 0.000 0.658 429 A CB 0.453 19.444 19.000 -0.015 0.000 1.285 429 A HN 2.719 nan 8.150 nan 0.000 0.427 430 A N -0.551 122.470 122.820 0.334 0.000 2.594 430 A HA 0.784 5.150 4.320 0.078 0.000 0.295 430 A C -1.493 176.294 177.584 0.339 0.000 1.071 430 A CA -0.338 51.941 52.037 0.403 0.000 0.685 430 A CB 1.353 20.807 19.000 0.757 0.000 1.285 430 A HN 1.898 nan 8.150 nan 0.000 0.405 431 V N 0.443 120.501 119.914 0.239 0.000 2.709 431 V HA 0.654 4.820 4.120 0.078 0.000 0.308 431 V C -1.516 174.660 176.094 0.137 0.000 1.062 431 V CA -0.395 62.042 62.300 0.228 0.000 0.901 431 V CB 1.647 33.535 31.823 0.109 0.000 1.003 431 V HN 0.716 nan 8.190 nan 0.000 0.425 432 F N 2.162 122.223 119.950 0.185 0.000 2.460 432 F HA 0.783 5.357 4.527 0.079 0.000 0.341 432 F C 0.291 176.198 175.800 0.179 0.000 1.130 432 F CA -0.234 57.888 58.000 0.203 0.000 0.962 432 F CB 2.078 41.207 39.000 0.215 0.000 1.171 432 F HN 0.576 nan 8.300 nan 0.000 0.436 433 T N 2.001 116.690 114.554 0.224 0.000 2.830 433 T HA 0.296 4.692 4.350 0.078 0.000 0.322 433 T C 0.035 174.811 174.700 0.127 0.000 1.501 433 T CA -0.647 61.561 62.100 0.180 0.000 1.036 433 T CB 1.555 70.513 68.868 0.150 0.000 1.379 433 T HN 0.652 nan 8.240 nan 0.000 0.493 434 K N 0.692 121.158 120.400 0.110 0.000 2.354 434 K HA 0.184 4.551 4.320 0.078 0.000 0.194 434 K C -0.239 176.395 176.600 0.057 0.000 1.038 434 K CA -0.069 56.264 56.287 0.076 0.000 1.052 434 K CB 0.299 32.843 32.500 0.073 0.000 0.861 434 K HN 0.515 nan 8.250 nan 0.000 0.535 435 D N 1.067 121.505 120.400 0.064 0.000 2.317 435 D HA 0.011 4.698 4.640 0.078 0.000 0.252 435 D C 0.899 177.228 176.300 0.048 0.000 1.174 435 D CA -0.253 53.778 54.000 0.051 0.000 0.866 435 D CB 1.046 41.879 40.800 0.054 0.000 1.127 435 D HN -0.152 nan 8.370 nan 0.000 0.467 436 L N 4.237 125.482 121.223 0.036 0.000 1.989 436 L HA -0.153 4.234 4.340 0.078 0.000 0.211 436 L C 1.251 178.147 176.870 0.043 0.000 1.071 436 L CA 2.002 56.863 54.840 0.034 0.000 0.749 436 L CB -0.477 41.597 42.059 0.025 0.000 0.890 436 L HN 0.497 nan 8.230 nan 0.000 0.431 437 D N -0.359 120.066 120.400 0.041 0.000 2.117 437 D HA -0.180 4.506 4.640 0.078 0.000 0.197 437 D C 2.202 178.551 176.300 0.082 0.000 0.987 437 D CA 1.407 55.437 54.000 0.050 0.000 0.829 437 D CB -0.087 40.727 40.800 0.023 0.000 0.961 437 D HN 0.399 nan 8.370 nan 0.000 0.460 438 K N 0.467 120.911 120.400 0.074 0.000 2.026 438 K HA -0.055 4.311 4.320 0.078 0.000 0.208 438 K C 2.157 178.843 176.600 0.143 0.000 1.048 438 K CA 1.214 57.569 56.287 0.113 0.000 0.929 438 K CB -0.151 32.408 32.500 0.099 0.000 0.713 438 K HN 0.040 nan 8.250 nan 0.000 0.439 439 A N 2.050 124.927 122.820 0.096 0.000 1.883 439 A HA -0.217 4.150 4.320 0.078 0.000 0.217 439 A C 1.856 179.475 177.584 0.059 0.000 1.186 439 A CA 1.803 53.881 52.037 0.069 0.000 0.624 439 A CB -0.522 18.503 19.000 0.042 0.000 0.822 439 A HN 0.245 nan 8.150 nan 0.000 0.444 440 N N -1.636 117.105 118.700 0.069 0.000 2.142 440 N HA -0.140 4.647 4.740 0.078 0.000 0.186 440 N C 1.622 177.177 175.510 0.075 0.000 1.023 440 N CA 1.607 54.689 53.050 0.054 0.000 0.852 440 N CB -0.595 37.923 38.487 0.053 0.000 0.998 440 N HN 0.665 nan 8.380 nan 0.000 0.424 441 Y N 1.906 122.203 120.300 -0.006 0.000 2.097 441 Y HA -0.118 4.479 4.550 0.078 0.000 0.282 441 Y C 2.229 178.117 175.900 -0.021 0.000 1.152 441 Y CA 1.471 59.566 58.100 -0.009 0.000 1.136 441 Y CB -0.545 37.914 38.460 -0.001 0.000 0.975 441 Y HN -0.050 nan 8.280 nan 0.000 0.498 442 L N -0.180 121.055 121.223 0.020 0.000 2.017 442 L HA -0.227 4.160 4.340 0.078 0.000 0.208 442 L C 2.738 179.523 176.870 -0.142 0.000 1.073 442 L CA 1.687 56.463 54.840 -0.107 0.000 0.745 442 L CB -0.933 41.135 42.059 0.016 0.000 0.894 442 L HN 0.381 nan 8.230 nan 0.000 0.432 443 S N -0.923 114.726 115.700 -0.085 0.000 2.419 443 S HA -0.295 4.222 4.470 0.078 0.000 0.235 443 S C 1.870 176.391 174.600 -0.132 0.000 1.019 443 S CA 1.451 59.588 58.200 -0.106 0.000 0.982 443 S CB -0.372 62.782 63.200 -0.077 0.000 0.789 443 S HN 0.541 nan 8.310 nan 0.000 0.490 444 Q N 0.978 120.696 119.800 -0.137 0.000 2.163 444 Q HA 0.178 4.565 4.340 0.078 0.000 0.198 444 Q C 2.218 178.111 176.000 -0.178 0.000 0.954 444 Q CA 0.861 56.584 55.803 -0.134 0.000 0.851 444 Q CB -0.389 28.287 28.738 -0.105 0.000 0.928 444 Q HN 0.663 nan 8.270 nan 0.000 0.459 445 A N 0.922 123.568 122.820 -0.289 0.000 1.929 445 A HA 0.082 4.449 4.320 0.078 0.000 0.216 445 A C 1.010 178.463 177.584 -0.219 0.000 1.176 445 A CA 0.171 52.018 52.037 -0.318 0.000 0.628 445 A CB -0.408 18.244 19.000 -0.580 0.000 0.816 445 A HN 0.369 nan 8.150 nan 0.000 0.444 446 L N 0.984 122.079 121.223 -0.212 0.000 2.513 446 L HA 0.032 4.418 4.340 0.078 0.000 0.272 446 L C 0.077 176.831 176.870 -0.194 0.000 1.187 446 L CA -0.069 54.659 54.840 -0.188 0.000 0.895 446 L CB 0.381 42.330 42.059 -0.183 0.000 1.147 446 L HN 0.402 nan 8.230 nan 0.000 0.483 447 Q N 3.686 123.392 119.800 -0.156 0.000 2.681 447 Q HA 0.523 4.910 4.340 0.078 0.000 0.222 447 Q C -0.400 175.344 176.000 -0.427 0.000 1.258 447 Q CA -0.239 55.480 55.803 -0.141 0.000 1.014 447 Q CB 0.872 29.656 28.738 0.076 0.000 1.384 447 Q HN 0.696 nan 8.270 nan 0.000 0.570 448 A N -0.022 122.301 122.820 -0.829 0.000 2.539 448 A HA 0.687 5.053 4.320 0.078 0.000 0.296 448 A C 0.855 177.774 177.584 -1.108 0.000 1.073 448 A CA -0.427 51.124 52.037 -0.809 0.000 0.700 448 A CB 1.173 19.920 19.000 -0.421 0.000 1.296 448 A HN 0.566 nan 8.150 nan 0.000 0.405 449 G N -0.115 108.213 108.800 -0.788 0.000 2.422 449 G HA2 0.290 4.297 3.960 0.078 0.000 0.218 449 G HA3 0.290 4.297 3.960 0.078 0.000 0.218 449 G C 0.470 175.085 174.900 -0.476 0.000 1.140 449 G CA 1.647 46.435 45.100 -0.521 0.000 0.775 449 G HN 0.842 nan 8.290 nan 0.000 0.545 450 T N -0.152 114.075 114.554 -0.545 0.000 2.928 450 T HA 0.501 4.897 4.350 0.078 0.000 0.296 450 T C -1.106 173.147 174.700 -0.746 0.000 1.000 450 T CA -0.409 61.294 62.100 -0.662 0.000 0.989 450 T CB 2.673 71.040 68.868 -0.834 0.000 1.005 450 T HN -0.101 nan 8.240 nan 0.000 0.442 451 V N 3.926 123.469 119.914 -0.619 0.000 2.409 451 V HA 0.457 4.624 4.120 0.078 0.000 0.291 451 V C -0.646 175.204 176.094 -0.406 0.000 1.020 451 V CA -0.982 61.056 62.300 -0.437 0.000 0.848 451 V CB 1.313 32.980 31.823 -0.260 0.000 0.990 451 V HN 0.765 nan 8.190 nan 0.000 0.430 452 W N 3.536 124.730 121.300 -0.176 0.000 2.438 452 W HA 0.630 5.339 4.660 0.080 0.000 0.324 452 W C -0.598 175.829 176.519 -0.154 0.000 1.119 452 W CA -0.661 56.576 57.345 -0.180 0.000 1.221 452 W CB 1.919 31.235 29.460 -0.241 0.000 1.253 452 W HN 0.259 nan 8.180 nan 0.000 0.555 453 V N 4.647 124.598 119.914 0.062 0.000 2.378 453 V HA 0.124 4.291 4.120 0.078 0.000 0.288 453 V C 0.143 176.126 176.094 -0.186 0.000 1.016 453 V CA -0.860 61.397 62.300 -0.072 0.000 0.840 453 V CB 1.096 32.898 31.823 -0.035 0.000 0.994 453 V HN 0.674 nan 8.190 nan 0.000 0.431 454 N N 2.090 120.450 118.700 -0.566 0.000 2.747 454 N HA -0.175 4.612 4.740 0.078 0.000 0.249 454 N C -0.296 175.116 175.510 -0.162 0.000 1.107 454 N CA 1.271 53.950 53.050 -0.619 0.000 0.707 454 N CB -1.171 37.265 38.487 -0.086 0.000 1.054 454 N HN 1.081 nan 8.380 nan 0.000 0.555 455 C N -4.279 114.864 119.300 -0.261 0.000 3.249 455 C HA 0.800 5.307 4.460 0.078 0.000 0.350 455 C C -1.225 173.789 174.990 0.041 0.000 1.431 455 C CA -1.338 57.739 59.018 0.098 0.000 1.209 455 C CB 1.657 29.451 27.740 0.090 0.000 1.546 455 C HN 0.274 nan 8.230 nan 0.000 0.450 456 Y N -0.071 120.012 120.300 -0.362 0.000 2.592 456 Y HA 0.458 5.056 4.550 0.080 0.000 0.334 456 Y C -0.321 174.895 175.900 -1.141 0.000 1.136 456 Y CA 0.416 58.001 58.100 -0.858 0.000 1.042 456 Y CB 1.337 39.657 38.460 -0.235 0.000 1.325 456 Y HN 1.034 nan 8.280 nan 0.000 0.457 457 D N 1.959 121.028 120.400 -2.219 0.000 2.751 457 D HA -0.138 4.549 4.640 0.078 0.000 0.233 457 D C -0.918 174.914 176.300 -0.781 0.000 1.149 457 D CA 0.950 54.238 54.000 -1.186 0.000 0.682 457 D CB -0.967 39.694 40.800 -0.232 0.000 1.068 457 D HN 0.157 nan 8.370 nan 0.000 0.429 458 V N 1.487 120.879 119.914 -0.870 0.000 2.322 458 V HA 0.258 4.425 4.120 0.078 0.000 0.258 458 V C 0.469 176.508 176.094 -0.091 0.000 1.074 458 V CA -0.236 61.925 62.300 -0.231 0.000 0.909 458 V CB -0.219 31.569 31.823 -0.058 0.000 1.090 458 V HN -0.002 nan 8.190 nan 0.000 0.486 459 F N 2.406 122.434 119.950 0.129 0.000 2.420 459 F HA 0.747 5.319 4.527 0.075 0.000 0.342 459 F C 0.904 176.725 175.800 0.036 0.000 1.113 459 F CA -0.441 57.615 58.000 0.093 0.000 1.059 459 F CB 1.873 40.919 39.000 0.076 0.000 1.128 459 F HN 0.471 nan 8.300 nan 0.000 0.475 460 G N 0.632 109.525 108.800 0.154 0.000 2.461 460 G HA2 0.510 4.516 3.960 0.078 0.000 0.323 460 G HA3 0.510 4.516 3.960 0.078 0.000 0.323 460 G C 0.346 175.188 174.900 -0.097 0.000 1.229 460 G CA -0.474 44.641 45.100 0.024 0.000 0.941 460 G HN 0.882 nan 8.290 nan 0.000 0.477 461 A N 1.387 124.093 122.820 -0.190 0.000 2.024 461 A HA -0.101 4.266 4.320 0.078 0.000 0.220 461 A C 2.152 179.214 177.584 -0.869 0.000 1.164 461 A CA 1.845 53.640 52.037 -0.403 0.000 0.643 461 A CB -0.152 18.637 19.000 -0.352 0.000 0.806 461 A HN 0.591 nan 8.150 nan 0.000 0.451 462 Q N -0.133 119.209 119.800 -0.763 0.000 2.245 462 Q HA 0.143 4.529 4.340 0.078 0.000 0.201 462 Q C 0.587 176.499 176.000 -0.146 0.000 0.955 462 Q CA 0.700 56.154 55.803 -0.583 0.000 0.870 462 Q CB 0.007 28.611 28.738 -0.223 0.000 0.945 462 Q HN 0.443 nan 8.270 nan 0.000 0.461 463 S N 2.257 117.896 115.700 -0.102 0.000 2.480 463 S HA 0.329 4.845 4.470 0.078 0.000 0.286 463 S C -2.440 172.157 174.600 -0.005 0.000 1.180 463 S CA -1.416 56.779 58.200 -0.009 0.000 1.075 463 S CB 0.925 64.120 63.200 -0.007 0.000 0.996 463 S HN 0.066 nan 8.310 nan 0.000 0.487 464 P HA 0.172 nan 4.420 nan 0.000 0.268 464 P C -0.990 176.310 177.300 0.001 0.000 1.205 464 P CA -0.140 62.934 63.100 -0.042 0.000 0.771 464 P CB 0.294 31.817 31.700 -0.294 0.000 0.858 465 F N 2.244 122.097 119.950 -0.162 0.000 2.562 465 F HA 0.661 5.232 4.527 0.075 0.000 0.319 465 F C -0.332 175.424 175.800 -0.074 0.000 1.154 465 F CA 0.133 58.069 58.000 -0.107 0.000 0.931 465 F CB 1.796 40.757 39.000 -0.066 0.000 1.198 465 F HN 0.592 nan 8.300 nan 0.000 0.444 466 G N 2.313 110.714 108.800 -0.665 0.000 2.495 466 G HA2 0.549 4.555 3.960 0.078 0.000 0.294 466 G HA3 0.549 4.555 3.960 0.078 0.000 0.294 466 G C -1.595 173.044 174.900 -0.435 0.000 1.397 466 G CA -0.262 44.551 45.100 -0.478 0.000 0.790 466 G HN 0.988 nan 8.290 nan 0.000 0.486 467 G N -1.712 106.964 108.800 -0.207 0.000 2.600 467 G HA2 0.619 4.626 3.960 0.078 0.000 0.303 467 G HA3 0.619 4.626 3.960 0.078 0.000 0.303 467 G C -1.603 173.387 174.900 0.150 0.000 1.253 467 G CA -0.616 44.439 45.100 -0.074 0.000 0.974 467 G HN 0.390 nan 8.290 nan 0.000 0.483 468 Y N 0.474 120.714 120.300 -0.099 0.000 2.432 468 Y HA 0.454 5.048 4.550 0.075 0.000 0.322 468 Y C 1.445 177.320 175.900 -0.041 0.000 1.246 468 Y CA -1.061 56.994 58.100 -0.075 0.000 1.268 468 Y CB 1.329 39.743 38.460 -0.077 0.000 1.276 468 Y HN 0.855 nan 8.280 nan 0.000 0.499 469 K N -0.433 120.011 120.400 0.073 0.000 1.867 469 K HA -0.320 4.047 4.320 0.078 0.000 0.140 469 K C 0.581 177.190 176.600 0.015 0.000 1.408 469 K CA 1.828 58.127 56.287 0.021 0.000 0.461 469 K CB -1.061 31.458 32.500 0.031 0.000 0.594 469 K HN 0.627 nan 8.250 nan 0.000 0.888 470 M N 1.216 120.812 119.600 -0.007 0.000 2.654 470 M HA 0.018 4.545 4.480 0.078 0.000 0.217 470 M C 0.611 176.972 176.300 0.100 0.000 1.183 470 M CA 0.574 55.867 55.300 -0.010 0.000 0.991 470 M CB -0.005 32.526 32.600 -0.116 0.000 1.749 470 M HN 0.318 nan 8.290 nan 0.000 0.475 471 S N 0.071 115.860 115.700 0.149 0.000 2.556 471 S HA 0.378 4.894 4.470 0.078 0.000 0.216 471 S C 0.775 175.437 174.600 0.104 0.000 0.970 471 S CA 0.358 58.679 58.200 0.201 0.000 0.912 471 S CB 0.398 63.701 63.200 0.171 0.000 0.790 471 S HN 0.787 nan 8.310 nan 0.000 0.504 472 G N 1.214 110.059 108.800 0.076 0.000 2.384 472 G HA2 0.076 4.083 3.960 0.078 0.000 0.668 472 G HA3 0.076 4.083 3.960 0.078 0.000 0.668 472 G C -0.718 174.189 174.900 0.012 0.000 1.280 472 G CA -0.514 44.616 45.100 0.049 0.000 0.992 472 G HN 0.718 nan 8.290 nan 0.000 0.512 473 S N -0.981 114.720 115.700 0.001 0.000 2.599 473 S HA 1.041 5.558 4.470 0.078 0.000 0.287 473 S C 0.554 175.136 174.600 -0.030 0.000 1.105 473 S CA 0.433 58.618 58.200 -0.025 0.000 0.899 473 S CB 1.655 64.837 63.200 -0.030 0.000 1.100 473 S HN 3.010 nan 8.310 nan 0.000 0.482 474 G N 1.173 109.946 108.800 -0.044 0.000 2.787 474 G HA2 0.060 4.067 3.960 0.078 0.000 0.685 474 G HA3 0.060 4.067 3.960 0.078 0.000 0.685 474 G C -1.162 173.710 174.900 -0.046 0.000 1.437 474 G CA -0.915 44.158 45.100 -0.045 0.000 0.872 474 G HN 0.771 nan 8.290 nan 0.000 0.566 475 R N 0.308 120.790 120.500 -0.031 0.000 2.888 475 R HA 0.712 5.099 4.340 0.078 0.000 0.266 475 R C -0.100 176.209 176.300 0.016 0.000 1.020 475 R CA -0.738 55.343 56.100 -0.032 0.000 0.963 475 R CB 1.806 32.068 30.300 -0.063 0.000 1.197 475 R HN 0.771 nan 8.270 nan 0.000 0.481 476 E N 0.923 121.134 120.200 0.017 0.000 2.359 476 E HA 0.552 4.949 4.350 0.078 0.000 0.266 476 E C -0.568 175.997 176.600 -0.059 0.000 0.920 476 E CA -0.951 55.450 56.400 0.001 0.000 0.788 476 E CB 2.224 31.916 29.700 -0.014 0.000 1.279 476 E HN 0.328 nan 8.360 nan 0.000 0.438 477 L N 0.243 121.436 121.223 -0.050 0.000 0.586 477 L HA -0.260 4.127 4.340 0.078 0.000 0.356 477 L C 0.538 177.482 176.870 0.122 0.000 1.004 477 L CA 0.926 55.753 54.840 -0.021 0.000 1.223 477 L CB -1.005 40.857 42.059 -0.330 0.000 0.012 477 L HN 1.022 nan 8.230 nan 0.000 0.092 478 G N 0.836 109.693 108.800 0.094 0.000 2.750 478 G HA2 -0.285 3.722 3.960 0.078 0.000 0.228 478 G HA3 -0.285 3.722 3.960 0.078 0.000 0.228 478 G C 0.370 175.385 174.900 0.191 0.000 1.367 478 G CA 0.791 46.029 45.100 0.230 0.000 0.871 478 G HN 1.142 nan 8.290 nan 0.000 0.560 479 E N -0.982 119.248 120.200 0.050 0.000 2.204 479 E HA -0.102 4.294 4.350 0.078 0.000 0.194 479 E C 2.078 178.413 176.600 -0.440 0.000 0.989 479 E CA 1.746 57.839 56.400 -0.512 0.000 0.824 479 E CB -0.154 29.286 29.700 -0.433 0.000 0.756 479 E HN 0.626 nan 8.360 nan 0.000 0.477 480 Y N -0.418 119.810 120.300 -0.120 0.000 2.333 480 Y HA -0.018 4.605 4.550 0.122 0.000 0.290 480 Y C 2.406 178.250 175.900 -0.093 0.000 1.144 480 Y CA 0.949 58.996 58.100 -0.088 0.000 1.228 480 Y CB -0.561 37.876 38.460 -0.038 0.000 0.985 480 Y HN 0.143 nan 8.280 nan 0.000 0.542 481 G N -0.089 108.770 108.800 0.098 0.000 2.471 481 G HA2 -0.153 3.853 3.960 0.078 0.000 0.219 481 G HA3 -0.153 3.853 3.960 0.078 0.000 0.219 481 G C 1.530 176.443 174.900 0.022 0.000 1.125 481 G CA 0.666 45.821 45.100 0.091 0.000 0.775 481 G HN 0.384 nan 8.290 nan 0.000 0.548 482 L N -0.331 120.767 121.223 -0.208 0.000 2.179 482 L HA -0.025 4.362 4.340 0.078 0.000 0.208 482 L C 3.028 179.735 176.870 -0.271 0.000 1.096 482 L CA 0.611 55.214 54.840 -0.396 0.000 0.779 482 L CB -0.416 40.972 42.059 -1.118 0.000 0.922 482 L HN 0.256 nan 8.230 nan 0.000 0.443 483 Q N 0.375 120.054 119.800 -0.201 0.000 2.135 483 Q HA -0.206 4.180 4.340 0.078 0.000 0.204 483 Q C 2.421 178.382 176.000 -0.066 0.000 0.981 483 Q CA 1.692 57.459 55.803 -0.059 0.000 0.856 483 Q CB -0.320 28.409 28.738 -0.014 0.000 0.902 483 Q HN 0.561 nan 8.270 nan 0.000 0.425 484 A N -0.026 122.730 122.820 -0.106 0.000 2.067 484 A HA -0.129 4.237 4.320 0.078 0.000 0.219 484 A C 0.905 178.260 177.584 -0.382 0.000 1.158 484 A CA 0.915 52.802 52.037 -0.250 0.000 0.661 484 A CB -0.311 18.482 19.000 -0.344 0.000 0.801 484 A HN 0.410 nan 8.150 nan 0.000 0.452 485 Y N -0.296 119.968 120.300 -0.061 0.000 2.658 485 Y HA 0.279 4.873 4.550 0.073 0.000 0.276 485 Y C 0.348 176.247 175.900 -0.000 0.000 1.167 485 Y CA 0.011 58.089 58.100 -0.036 0.000 1.230 485 Y CB 0.441 38.870 38.460 -0.052 0.000 1.144 485 Y HN 0.050 nan 8.280 nan 0.000 0.529 486 T N 0.214 114.815 114.554 0.079 0.000 2.900 486 T HA 0.404 4.801 4.350 0.078 0.000 0.295 486 T C -0.959 173.757 174.700 0.027 0.000 1.044 486 T CA -0.919 61.235 62.100 0.090 0.000 0.995 486 T CB 2.000 70.945 68.868 0.129 0.000 1.072 486 T HN -0.077 nan 8.240 nan 0.000 0.473 487 K N 1.699 122.132 120.400 0.055 0.000 2.244 487 K HA 0.673 5.040 4.320 0.078 0.000 0.260 487 K C -1.131 175.496 176.600 0.044 0.000 0.951 487 K CA -0.592 55.718 56.287 0.039 0.000 0.826 487 K CB 1.456 33.998 32.500 0.070 0.000 1.108 487 K HN 0.288 nan 8.250 nan 0.000 0.433 488 V N 4.675 124.601 119.914 0.020 0.000 2.364 488 V HA 0.239 4.406 4.120 0.078 0.000 0.272 488 V C -0.171 175.946 176.094 0.039 0.000 1.036 488 V CA -0.536 61.801 62.300 0.062 0.000 0.880 488 V CB 1.020 32.865 31.823 0.037 0.000 0.991 488 V HN 0.623 nan 8.190 nan 0.000 0.460 489 K N 3.446 123.873 120.400 0.045 0.000 2.206 489 K HA 0.534 4.901 4.320 0.078 0.000 0.264 489 K C -0.545 176.009 176.600 -0.077 0.000 0.967 489 K CA -0.364 55.914 56.287 -0.015 0.000 0.844 489 K CB 1.350 33.845 32.500 -0.009 0.000 1.099 489 K HN 0.654 nan 8.250 nan 0.000 0.441 490 T N 2.996 117.474 114.554 -0.128 0.000 2.771 490 T HA 0.307 4.704 4.350 0.078 0.000 0.281 490 T C -0.792 173.710 174.700 -0.330 0.000 0.982 490 T CA -0.606 61.363 62.100 -0.217 0.000 0.978 490 T CB 1.263 70.034 68.868 -0.162 0.000 0.930 490 T HN 0.290 nan 8.240 nan 0.000 0.447 491 V N 4.012 123.560 119.914 -0.609 0.000 2.378 491 V HA 0.427 4.593 4.120 0.078 0.000 0.288 491 V C 0.148 175.841 176.094 -0.669 0.000 1.016 491 V CA -0.739 61.142 62.300 -0.699 0.000 0.840 491 V CB 1.576 32.742 31.823 -1.094 0.000 0.994 491 V HN 0.948 nan 8.190 nan 0.000 0.431 492 T N 4.828 119.168 114.554 -0.357 0.000 2.788 492 T HA 0.526 4.923 4.350 0.078 0.000 0.296 492 T C -0.205 174.454 174.700 -0.067 0.000 1.009 492 T CA -0.296 61.667 62.100 -0.228 0.000 0.949 492 T CB 1.280 70.005 68.868 -0.238 0.000 0.946 492 T HN 0.343 nan 8.240 nan 0.000 0.453 493 V N 3.902 123.857 119.914 0.069 0.000 2.472 493 V HA 0.441 4.608 4.120 0.078 0.000 0.290 493 V C 0.486 176.797 176.094 0.361 0.000 1.037 493 V CA -1.081 61.344 62.300 0.208 0.000 0.908 493 V CB 1.748 33.739 31.823 0.279 0.000 0.985 493 V HN 0.683 nan 8.190 nan 0.000 0.454 494 K N 3.454 124.042 120.400 0.314 0.000 2.297 494 K HA 0.512 4.878 4.320 0.078 0.000 0.286 494 K C -0.613 176.043 176.600 0.092 0.000 1.053 494 K CA -0.226 56.203 56.287 0.236 0.000 0.940 494 K CB 1.219 33.827 32.500 0.180 0.000 1.019 494 K HN 0.671 nan 8.250 nan 0.000 0.475 495 V N 2.114 122.017 119.914 -0.019 0.000 2.919 495 V HA 0.402 4.568 4.120 0.078 0.000 0.316 495 V C -2.077 173.969 176.094 -0.080 0.000 1.077 495 V CA -1.932 60.358 62.300 -0.015 0.000 0.977 495 V CB 1.225 33.058 31.823 0.018 0.000 1.039 495 V HN 0.646 nan 8.190 nan 0.000 0.441 496 P HA -0.094 nan 4.420 nan 0.000 0.213 496 P C 0.056 177.310 177.300 -0.076 0.000 1.170 496 P CA 1.373 64.438 63.100 -0.058 0.000 0.902 496 P CB 0.128 31.804 31.700 -0.040 0.000 0.789 497 Q N -1.297 118.460 119.800 -0.070 0.000 2.331 497 Q HA 0.170 4.557 4.340 0.078 0.000 0.249 497 Q C -1.086 174.878 176.000 -0.060 0.000 0.913 497 Q CA -0.682 55.078 55.803 -0.070 0.000 0.874 497 Q CB 1.125 29.831 28.738 -0.053 0.000 1.384 497 Q HN -0.161 nan 8.270 nan 0.000 0.427 498 K N 3.488 123.851 120.400 -0.062 0.000 2.350 498 K HA 0.266 4.633 4.320 0.078 0.000 0.279 498 K C -0.942 175.643 176.600 -0.025 0.000 1.027 498 K CA 0.134 56.400 56.287 -0.035 0.000 0.969 498 K CB 0.630 33.121 32.500 -0.016 0.000 0.954 498 K HN 0.612 nan 8.250 nan 0.000 0.474 499 N N 1.261 119.948 118.700 -0.022 0.000 2.262 499 N HA 0.109 4.895 4.740 0.078 0.000 0.295 499 N C -0.783 174.720 175.510 -0.012 0.000 1.161 499 N CA -0.498 52.540 53.050 -0.018 0.000 0.767 499 N CB 2.014 40.485 38.487 -0.027 0.000 1.499 499 N HN 0.745 nan 8.380 nan 0.000 0.476 500 S N 0.000 115.696 115.700 -0.006 0.000 2.498 500 S HA 0.000 4.517 4.470 0.078 0.000 0.327 500 S CA 0.000 58.199 58.200 -0.001 0.000 1.107 500 S CB 0.000 63.201 63.200 0.001 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517