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_E 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 0.000 177.555 177.584 -0.049 0.000 1.274 7 A CA 0.000 52.038 52.037 0.002 0.000 0.836 7 A CB 0.000 19.019 19.000 0.032 0.000 0.831 8 V N 1.423 121.274 119.914 -0.106 0.000 2.448 8 V HA 0.505 4.625 4.120 -0.000 0.000 0.295 8 V C -2.095 173.889 176.094 -0.182 0.000 1.025 8 V CA -1.511 60.611 62.300 -0.296 0.000 0.859 8 V CB 1.369 33.032 31.823 -0.266 0.000 0.988 8 V HN 0.558 nan 8.190 nan 0.000 0.431 9 P HA 0.305 nan 4.420 nan 0.000 0.269 9 P C -0.284 177.034 177.300 0.030 0.000 1.215 9 P CA -0.169 62.895 63.100 -0.059 0.000 0.780 9 P CB 0.471 32.157 31.700 -0.024 0.000 0.898 10 A N 3.621 126.443 122.820 0.002 0.000 2.492 10 A HA 0.361 4.681 4.320 -0.000 0.000 0.254 10 A C -1.641 175.867 177.584 -0.128 0.000 1.091 10 A CA -0.718 51.291 52.037 -0.045 0.000 0.768 10 A CB -0.976 17.992 19.000 -0.052 0.000 1.028 10 A HN 0.440 nan 8.150 nan 0.000 0.498 11 P HA 0.204 nan 4.420 nan 0.000 0.278 11 P C -0.922 176.114 177.300 -0.439 0.000 1.258 11 P CA -0.743 62.035 63.100 -0.537 0.000 0.811 11 P CB 0.844 31.765 31.700 -1.299 0.000 1.063 12 N N 0.877 119.353 118.700 -0.373 0.000 2.462 12 N HA 0.046 4.786 4.740 -0.000 0.000 0.242 12 N C 0.848 176.006 175.510 -0.586 0.000 1.010 12 N CA -0.071 52.779 53.050 -0.334 0.000 0.939 12 N CB 0.431 38.833 38.487 -0.142 0.000 1.127 12 N HN 0.219 nan 8.380 nan 0.000 0.509 13 Q N 1.655 120.970 119.800 -0.809 0.000 2.561 13 Q HA -0.140 4.200 4.340 -0.000 0.000 0.217 13 Q C -0.265 175.397 176.000 -0.564 0.000 0.980 13 Q CA 0.860 55.910 55.803 -1.255 0.000 0.927 13 Q CB -0.025 28.163 28.738 -0.917 0.000 0.980 13 Q HN 0.715 nan 8.270 nan 0.000 0.525 14 Q N 0.239 119.846 119.800 -0.322 0.000 3.662 14 Q HA 0.354 4.694 4.340 -0.000 0.000 0.237 14 Q C -2.784 173.151 176.000 -0.108 0.000 0.895 14 Q CA -1.763 53.950 55.803 -0.150 0.000 0.767 14 Q CB 0.776 29.445 28.738 -0.115 0.000 1.469 14 Q HN -0.092 nan 8.270 nan 0.000 0.424 15 P HA -0.046 nan 4.420 nan 0.000 0.269 15 P C -0.432 176.860 177.300 -0.014 0.000 1.209 15 P CA 0.157 63.255 63.100 -0.004 0.000 0.776 15 P CB 1.163 32.799 31.700 -0.107 0.000 0.876 16 E N 1.389 121.593 120.200 0.007 0.000 2.366 16 E HA 0.252 4.602 4.350 -0.000 0.000 0.266 16 E C -0.876 175.527 176.600 -0.328 0.000 1.051 16 E CA -0.740 55.507 56.400 -0.255 0.000 0.884 16 E CB 0.777 30.192 29.700 -0.476 0.000 1.006 16 E HN 0.139 nan 8.360 nan 0.000 0.417 17 V N 5.744 125.429 119.914 -0.382 0.000 2.370 17 V HA 0.149 4.269 4.120 -0.000 0.000 0.279 17 V C -0.067 175.783 176.094 -0.407 0.000 1.029 17 V CA -0.163 61.989 62.300 -0.247 0.000 0.870 17 V CB 0.889 32.627 31.823 -0.141 0.000 0.984 17 V HN 0.720 nan 8.190 nan 0.000 0.451 18 F N 1.712 121.664 119.950 0.003 0.000 2.694 18 F HA 0.247 4.774 4.527 -0.000 0.000 0.292 18 F C 0.942 176.613 175.800 -0.217 0.000 1.121 18 F CA -0.078 57.880 58.000 -0.069 0.000 1.352 18 F CB 0.352 39.349 39.000 -0.004 0.000 1.107 18 F HN 0.378 nan 8.300 nan 0.000 0.597 19 C N 2.114 121.381 119.300 -0.055 0.000 2.346 19 C HA 0.435 4.895 4.460 -0.000 0.000 0.326 19 C C 0.328 175.153 174.990 -0.275 0.000 1.224 19 C CA -0.886 57.865 59.018 -0.445 0.000 1.408 19 C CB 0.358 27.789 27.740 -0.515 0.000 2.089 19 C HN 0.524 nan 8.230 nan 0.000 0.456 20 N N 1.173 119.699 118.700 -0.291 0.000 2.286 20 N HA 0.063 4.803 4.740 -0.000 0.000 0.245 20 N C -0.341 175.148 175.510 -0.035 0.000 1.363 20 N CA -0.278 52.693 53.050 -0.131 0.000 0.822 20 N CB 0.116 38.516 38.487 -0.146 0.000 1.345 20 N HN 0.787 nan 8.380 nan 0.000 0.494 21 Q N -0.071 119.774 119.800 0.075 0.000 2.990 21 Q HA 0.569 4.909 4.340 -0.000 0.000 0.255 21 Q C -0.486 175.813 176.000 0.498 0.000 1.040 21 Q CA -1.003 54.969 55.803 0.282 0.000 0.897 21 Q CB 1.722 30.653 28.738 0.322 0.000 1.429 21 Q HN 0.089 nan 8.270 nan 0.000 0.497 22 I N 1.188 122.013 120.570 0.425 0.000 2.365 22 I HA 0.185 4.355 4.170 -0.000 0.000 0.291 22 I C -0.833 175.443 176.117 0.265 0.000 1.004 22 I CA -0.244 61.257 61.300 0.334 0.000 1.311 22 I CB 0.507 38.650 38.000 0.239 0.000 1.401 22 I HN 0.360 nan 8.210 nan 0.000 0.491 23 F N 8.331 128.222 119.950 -0.099 0.000 2.361 23 F HA 0.611 5.138 4.527 -0.000 0.000 0.364 23 F C -0.506 175.137 175.800 -0.263 0.000 1.120 23 F CA -0.381 57.318 58.000 -0.501 0.000 1.102 23 F CB 0.353 38.927 39.000 -0.710 0.000 1.183 23 F HN 0.183 nan 8.300 nan 0.000 0.476 24 I N 5.412 125.651 120.570 -0.552 0.000 2.607 24 I HA 0.210 4.380 4.170 -0.000 0.000 0.290 24 I C -0.388 175.447 176.117 -0.469 0.000 1.129 24 I CA -1.100 59.997 61.300 -0.338 0.000 1.042 24 I CB 1.868 39.850 38.000 -0.030 0.000 1.242 24 I HN 0.460 nan 8.210 nan 0.000 0.421 25 N N 4.536 122.988 118.700 -0.413 0.000 2.727 25 N HA -0.248 4.492 4.740 -0.000 0.000 0.249 25 N C 0.008 175.221 175.510 -0.495 0.000 1.048 25 N CA 1.276 54.126 53.050 -0.334 0.000 0.714 25 N CB -1.118 37.274 38.487 -0.157 0.000 0.959 25 N HN 0.929 nan 8.380 nan 0.000 0.544 26 N N -1.619 116.525 118.700 -0.927 0.000 2.714 26 N HA -0.246 4.494 4.740 -0.000 0.000 0.250 26 N C -0.991 174.024 175.510 -0.824 0.000 1.117 26 N CA 1.197 53.685 53.050 -0.937 0.000 0.719 26 N CB -0.415 37.902 38.487 -0.283 0.000 1.081 26 N HN 0.613 nan 8.380 nan 0.000 0.557 27 E N -0.762 118.823 120.200 -1.025 0.000 2.343 27 E HA 0.345 4.695 4.350 -0.000 0.000 0.270 27 E C -1.000 174.993 176.600 -1.012 0.000 0.895 27 E CA -0.690 55.251 56.400 -0.764 0.000 0.767 27 E CB 1.120 30.501 29.700 -0.532 0.000 1.248 27 E HN 0.124 nan 8.360 nan 0.000 0.440 28 W N 1.997 123.042 121.300 -0.426 0.000 2.361 28 W HA 0.292 4.952 4.660 -0.000 0.000 0.309 28 W C 0.276 176.544 176.519 -0.418 0.000 1.122 28 W CA -0.292 56.893 57.345 -0.268 0.000 1.208 28 W CB 0.819 30.254 29.460 -0.041 0.000 1.246 28 W HN 0.327 nan 8.180 nan 0.000 0.490 29 H N 1.472 120.690 119.070 0.247 0.000 2.821 29 H HA 0.273 4.829 4.556 -0.000 0.000 0.373 29 H C -0.612 174.811 175.328 0.159 0.000 1.165 29 H CA -0.840 55.296 56.048 0.146 0.000 1.154 29 H CB 1.771 31.570 29.762 0.061 0.000 1.765 29 H HN 0.283 nan 8.280 nan 0.000 0.549 30 D N 0.341 120.889 120.400 0.247 0.000 2.348 30 D HA 0.345 4.985 4.640 -0.000 0.000 0.249 30 D C 0.268 176.658 176.300 0.150 0.000 1.110 30 D CA -0.451 53.649 54.000 0.168 0.000 0.967 30 D CB 1.691 42.562 40.800 0.119 0.000 1.139 30 D HN 0.611 nan 8.370 nan 0.000 0.466 31 A N 0.929 123.824 122.820 0.126 0.000 2.483 31 A HA 0.072 4.392 4.320 -0.000 0.000 0.238 31 A C 1.595 179.227 177.584 0.080 0.000 1.070 31 A CA -0.372 51.729 52.037 0.107 0.000 0.770 31 A CB 0.326 19.393 19.000 0.111 0.000 1.008 31 A HN 0.433 nan 8.150 nan 0.000 0.497 32 V N 2.417 122.367 119.914 0.060 0.000 2.324 32 V HA -0.283 3.837 4.120 -0.000 0.000 0.250 32 V C 2.830 178.953 176.094 0.047 0.000 1.060 32 V CA 2.883 65.208 62.300 0.041 0.000 1.042 32 V CB -0.989 30.852 31.823 0.030 0.000 0.650 32 V HN 1.164 nan 8.190 nan 0.000 0.450 33 S N -0.604 115.131 115.700 0.058 0.000 2.453 33 S HA -0.161 4.309 4.470 -0.000 0.000 0.231 33 S C 1.347 175.985 174.600 0.063 0.000 1.005 33 S CA 0.939 59.175 58.200 0.060 0.000 0.949 33 S CB -0.283 62.959 63.200 0.071 0.000 0.774 33 S HN 0.627 nan 8.310 nan 0.000 0.510 34 R N -0.317 120.224 120.500 0.069 0.000 3.892 34 R HA -0.114 4.226 4.340 -0.000 0.000 0.441 34 R C -0.634 175.710 176.300 0.074 0.000 1.052 34 R CA 1.251 57.392 56.100 0.068 0.000 1.190 34 R CB -2.010 28.323 30.300 0.055 0.000 1.808 34 R HN 0.502 nan 8.270 nan 0.000 0.538 35 K N 1.334 121.789 120.400 0.090 0.000 2.202 35 K HA 0.301 4.621 4.320 -0.000 0.000 0.264 35 K C 0.618 177.294 176.600 0.127 0.000 1.010 35 K CA 0.589 56.942 56.287 0.110 0.000 0.940 35 K CB 0.949 33.528 32.500 0.132 0.000 0.983 35 K HN 0.180 nan 8.250 nan 0.000 0.475 36 T N -1.105 113.527 114.554 0.131 0.000 2.900 36 T HA 0.645 4.995 4.350 -0.000 0.000 0.303 36 T C -0.825 173.985 174.700 0.184 0.000 1.142 36 T CA -1.054 61.109 62.100 0.106 0.000 1.007 36 T CB 0.668 69.534 68.868 -0.004 0.000 1.156 36 T HN 0.474 nan 8.240 nan 0.000 0.490 37 F N -0.061 119.893 119.950 0.007 0.000 2.561 37 F HA 0.903 5.430 4.527 -0.000 0.000 0.321 37 F C -2.984 172.826 175.800 0.017 0.000 1.065 37 F CA -2.958 55.065 58.000 0.039 0.000 0.934 37 F CB 1.567 40.559 39.000 -0.014 0.000 1.215 37 F HN 0.415 nan 8.300 nan 0.000 0.471 38 P HA 0.192 nan 4.420 nan 0.000 0.284 38 P C -1.029 176.296 177.300 0.042 0.000 1.258 38 P CA -0.239 62.853 63.100 -0.013 0.000 0.824 38 P CB 1.993 33.727 31.700 0.056 0.000 1.038 39 T N 1.307 115.829 114.554 -0.053 0.000 2.792 39 T HA 0.394 4.744 4.350 -0.000 0.000 0.280 39 T C -0.615 174.090 174.700 0.009 0.000 0.990 39 T CA -0.522 61.584 62.100 0.010 0.000 0.960 39 T CB 0.282 69.125 68.868 -0.042 0.000 0.939 39 T HN 0.070 nan 8.240 nan 0.000 0.439 40 V N 5.870 125.804 119.914 0.033 0.000 2.539 40 V HA 0.405 4.525 4.120 -0.000 0.000 0.292 40 V C 0.652 176.755 176.094 0.015 0.000 1.045 40 V CA -1.002 61.317 62.300 0.031 0.000 0.945 40 V CB 1.543 33.409 31.823 0.072 0.000 0.993 40 V HN 0.941 nan 8.190 nan 0.000 0.464 41 N N 5.993 124.693 118.700 0.001 0.000 2.439 41 N HA 0.200 4.939 4.740 -0.000 0.000 0.243 41 N C -1.395 174.096 175.510 -0.032 0.000 1.088 41 N CA -1.469 51.570 53.050 -0.020 0.000 0.940 41 N CB 1.250 39.725 38.487 -0.019 0.000 1.180 41 N HN 0.425 nan 8.380 nan 0.000 0.505 42 P HA -0.110 nan 4.420 nan 0.000 0.226 42 P C 0.501 177.637 177.300 -0.273 0.000 1.146 42 P CA 0.998 64.104 63.100 0.010 0.000 0.773 42 P CB 0.351 32.060 31.700 0.014 0.000 0.772 43 S N -0.746 114.837 115.700 -0.195 0.000 2.470 43 S HA -0.024 4.446 4.470 -0.000 0.000 0.225 43 S C 1.803 176.381 174.600 -0.037 0.000 1.006 43 S CA 1.665 59.792 58.200 -0.122 0.000 0.934 43 S CB -0.480 62.729 63.200 0.015 0.000 0.778 43 S HN 0.464 nan 8.310 nan 0.000 0.517 44 T N -3.426 111.055 114.554 -0.120 0.000 2.958 44 T HA 0.461 4.811 4.350 -0.000 0.000 0.256 44 T C 1.449 176.032 174.700 -0.195 0.000 0.983 44 T CA 0.810 62.843 62.100 -0.112 0.000 0.924 44 T CB 0.431 69.266 68.868 -0.054 0.000 1.136 44 T HN 0.471 nan 8.240 nan 0.000 0.506 45 G N 1.042 109.689 108.800 -0.256 0.000 2.179 45 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.260 45 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.260 45 G C -0.187 174.673 174.900 -0.066 0.000 0.977 45 G CA 0.199 45.167 45.100 -0.220 0.000 0.641 45 G HN 0.688 nan 8.290 nan 0.000 0.533 46 E N -0.358 119.808 120.200 -0.056 0.000 2.313 46 E HA 0.559 4.909 4.350 -0.000 0.000 0.272 46 E C 0.621 177.212 176.600 -0.014 0.000 1.038 46 E CA -0.442 55.940 56.400 -0.029 0.000 0.863 46 E CB 1.463 31.144 29.700 -0.033 0.000 1.060 46 E HN 0.183 nan 8.360 nan 0.000 0.402 47 V N 5.306 125.213 119.914 -0.010 0.000 2.521 47 V HA -0.000 4.120 4.120 -0.000 0.000 0.286 47 V C 1.373 177.449 176.094 -0.029 0.000 1.034 47 V CA 0.410 62.703 62.300 -0.012 0.000 1.045 47 V CB 0.480 32.298 31.823 -0.010 0.000 0.974 47 V HN 0.715 nan 8.190 nan 0.000 0.480 48 I N 4.052 124.600 120.570 -0.036 0.000 2.235 48 I HA -0.007 4.163 4.170 -0.000 0.000 0.241 48 I C 1.003 177.078 176.117 -0.070 0.000 1.085 48 I CA 1.404 62.674 61.300 -0.050 0.000 1.378 48 I CB 0.158 38.129 38.000 -0.048 0.000 1.076 48 I HN 0.883 nan 8.210 nan 0.000 0.415 49 C N -2.435 116.813 119.300 -0.086 0.000 3.211 49 C HA 0.426 4.886 4.460 -0.000 0.000 0.350 49 C C -1.194 173.709 174.990 -0.145 0.000 1.413 49 C CA -1.223 57.731 59.018 -0.107 0.000 1.203 49 C CB 1.226 28.895 27.740 -0.119 0.000 1.506 49 C HN 0.116 nan 8.230 nan 0.000 0.448 50 Q N 0.469 120.178 119.800 -0.152 0.000 2.227 50 Q HA 0.782 5.122 4.340 -0.000 0.000 0.245 50 Q C -0.652 175.171 176.000 -0.295 0.000 0.926 50 Q CA -0.259 55.421 55.803 -0.205 0.000 0.895 50 Q CB 1.824 30.489 28.738 -0.122 0.000 1.230 50 Q HN 0.768 nan 8.270 nan 0.000 0.450 51 V N 0.694 120.303 119.914 -0.508 0.000 2.760 51 V HA 0.489 4.609 4.120 -0.000 0.000 0.309 51 V C -0.494 175.363 176.094 -0.394 0.000 1.077 51 V CA -1.324 60.648 62.300 -0.546 0.000 0.910 51 V CB 1.899 33.160 31.823 -0.936 0.000 1.008 51 V HN 0.895 nan 8.190 nan 0.000 0.424 52 A N 2.935 125.700 122.820 -0.092 0.000 2.580 52 A HA 0.123 4.443 4.320 -0.000 0.000 0.244 52 A C 0.452 178.167 177.584 0.219 0.000 1.045 52 A CA 0.419 52.501 52.037 0.075 0.000 0.761 52 A CB -0.142 18.936 19.000 0.129 0.000 0.962 52 A HN 0.925 nan 8.150 nan 0.000 0.512 53 E N 3.219 123.573 120.200 0.257 0.000 1.936 53 E HA 0.369 4.719 4.350 -0.000 0.000 0.267 53 E C 0.704 177.388 176.600 0.140 0.000 1.076 53 E CA -0.217 56.342 56.400 0.264 0.000 0.870 53 E CB 0.118 29.973 29.700 0.258 0.000 1.093 53 E HN 0.796 nan 8.360 nan 0.000 0.411 54 G N 3.313 112.182 108.800 0.115 0.000 2.544 54 G HA2 0.089 4.049 3.960 -0.000 0.000 0.242 54 G HA3 0.089 4.049 3.960 -0.000 0.000 0.242 54 G C -0.360 174.584 174.900 0.073 0.000 1.247 54 G CA -0.212 44.945 45.100 0.094 0.000 0.840 54 G HN 0.602 nan 8.290 nan 0.000 0.578 55 D N -0.771 119.675 120.400 0.076 0.000 2.867 55 D HA 0.183 4.823 4.640 -0.000 0.000 0.308 55 D C 1.278 177.618 176.300 0.067 0.000 1.202 55 D CA -0.803 53.241 54.000 0.074 0.000 1.035 55 D CB 1.437 42.284 40.800 0.079 0.000 1.427 55 D HN 0.268 nan 8.370 nan 0.000 0.570 56 K N 0.120 120.559 120.400 0.064 0.000 2.089 56 K HA -0.241 4.079 4.320 -0.000 0.000 0.210 56 K C 1.405 178.046 176.600 0.067 0.000 1.048 56 K CA 1.973 58.300 56.287 0.066 0.000 0.926 56 K CB 0.052 32.584 32.500 0.052 0.000 0.714 56 K HN 0.224 nan 8.250 nan 0.000 0.448 57 E N 0.513 120.745 120.200 0.053 0.000 2.150 57 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 57 E C 1.591 178.214 176.600 0.039 0.000 0.985 57 E CA 1.402 57.829 56.400 0.044 0.000 0.814 57 E CB 0.042 29.761 29.700 0.032 0.000 0.752 57 E HN 0.385 nan 8.360 nan 0.000 0.466 58 D N -0.187 120.240 120.400 0.044 0.000 2.123 58 D HA -0.094 4.546 4.640 -0.000 0.000 0.200 58 D C 1.932 178.252 176.300 0.033 0.000 0.976 58 D CA 0.860 54.883 54.000 0.039 0.000 0.831 58 D CB 0.073 40.909 40.800 0.061 0.000 0.974 58 D HN 0.067 nan 8.370 nan 0.000 0.469 59 V N 1.870 121.812 119.914 0.046 0.000 2.407 59 V HA -0.197 3.922 4.120 -0.000 0.000 0.248 59 V C 1.928 178.029 176.094 0.011 0.000 1.055 59 V CA 1.567 63.885 62.300 0.031 0.000 1.049 59 V CB -0.353 31.504 31.823 0.058 0.000 0.662 59 V HN 0.016 nan 8.190 nan 0.000 0.455 60 D N 0.080 120.523 120.400 0.073 0.000 2.117 60 D HA -0.149 4.491 4.640 -0.000 0.000 0.197 60 D C 2.289 178.610 176.300 0.035 0.000 0.987 60 D CA 1.226 55.297 54.000 0.118 0.000 0.829 60 D CB -0.135 40.747 40.800 0.137 0.000 0.961 60 D HN 0.408 nan 8.370 nan 0.000 0.460 61 K N 0.383 120.786 120.400 0.005 0.000 2.097 61 K HA -0.008 4.312 4.320 -0.000 0.000 0.205 61 K C 2.097 178.669 176.600 -0.046 0.000 1.050 61 K CA 0.992 57.261 56.287 -0.029 0.000 0.938 61 K CB -0.017 32.448 32.500 -0.059 0.000 0.718 61 K HN 0.012 nan 8.250 nan 0.000 0.442 62 A N 1.024 123.817 122.820 -0.045 0.000 1.858 62 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 62 A C 2.362 179.896 177.584 -0.083 0.000 1.190 62 A CA 1.512 53.515 52.037 -0.057 0.000 0.617 62 A CB -0.810 18.168 19.000 -0.038 0.000 0.827 62 A HN 0.064 nan 8.150 nan 0.000 0.443 63 V N 0.239 120.072 119.914 -0.135 0.000 2.332 63 V HA -0.306 3.814 4.120 -0.000 0.000 0.248 63 V C 2.474 178.507 176.094 -0.101 0.000 1.055 63 V CA 2.447 64.627 62.300 -0.200 0.000 1.038 63 V CB -0.716 30.793 31.823 -0.525 0.000 0.651 63 V HN 0.547 nan 8.190 nan 0.000 0.450 64 K N -0.079 120.288 120.400 -0.055 0.000 2.097 64 K HA -0.117 4.203 4.320 -0.000 0.000 0.206 64 K C 2.292 178.888 176.600 -0.008 0.000 1.049 64 K CA 1.428 57.709 56.287 -0.009 0.000 0.933 64 K CB -0.357 32.146 32.500 0.004 0.000 0.717 64 K HN 0.498 nan 8.250 nan 0.000 0.442 65 A N 1.400 124.203 122.820 -0.030 0.000 1.873 65 A HA -0.066 4.254 4.320 -0.000 0.000 0.215 65 A C 2.364 179.940 177.584 -0.013 0.000 1.186 65 A CA 1.664 53.683 52.037 -0.031 0.000 0.616 65 A CB -0.673 18.289 19.000 -0.063 0.000 0.823 65 A HN 0.314 nan 8.150 nan 0.000 0.442 66 A N 0.043 122.849 122.820 -0.025 0.000 1.883 66 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 66 A C 2.189 179.818 177.584 0.074 0.000 1.186 66 A CA 2.320 54.355 52.037 -0.004 0.000 0.624 66 A CB -0.489 18.485 19.000 -0.044 0.000 0.822 66 A HN 0.472 nan 8.150 nan 0.000 0.444 67 R N 0.227 120.763 120.500 0.060 0.000 2.105 67 R HA -0.043 4.297 4.340 -0.000 0.000 0.239 67 R C 2.074 178.471 176.300 0.162 0.000 1.135 67 R CA 2.032 58.208 56.100 0.126 0.000 0.967 67 R CB -0.885 29.463 30.300 0.081 0.000 0.861 67 R HN 0.400 nan 8.270 nan 0.000 0.442 68 A N 0.093 122.973 122.820 0.100 0.000 1.898 68 A HA 0.062 4.382 4.320 -0.000 0.000 0.216 68 A C 2.300 179.948 177.584 0.108 0.000 1.181 68 A CA 1.493 53.581 52.037 0.086 0.000 0.620 68 A CB -0.910 18.117 19.000 0.047 0.000 0.819 68 A HN 0.467 nan 8.150 nan 0.000 0.442 69 A N -2.185 120.707 122.820 0.119 0.000 2.121 69 A HA 0.101 4.421 4.320 -0.000 0.000 0.218 69 A C 1.669 179.413 177.584 0.266 0.000 1.154 69 A CA 1.154 53.278 52.037 0.146 0.000 0.679 69 A CB -0.535 18.512 19.000 0.078 0.000 0.795 69 A HN 0.591 nan 8.150 nan 0.000 0.458 70 F N 0.191 120.219 119.950 0.130 0.000 2.727 70 F HA 0.213 4.740 4.527 -0.000 0.000 0.302 70 F C 0.630 176.504 175.800 0.124 0.000 1.097 70 F CA -0.296 57.807 58.000 0.172 0.000 1.330 70 F CB 0.204 39.291 39.000 0.145 0.000 1.084 70 F HN 0.086 nan 8.300 nan 0.000 0.578 71 Q N 1.812 121.639 119.800 0.045 0.000 2.330 71 Q HA 0.025 4.365 4.340 -0.000 0.000 0.279 71 Q C -0.164 175.776 176.000 -0.101 0.000 1.024 71 Q CA -0.072 55.722 55.803 -0.016 0.000 0.900 71 Q CB 0.861 29.620 28.738 0.035 0.000 1.221 71 Q HN 0.267 nan 8.270 nan 0.000 0.396 72 L N 1.764 122.920 121.223 -0.112 0.000 2.601 72 L HA 0.033 4.373 4.340 -0.000 0.000 0.277 72 L C 1.290 178.125 176.870 -0.058 0.000 1.219 72 L CA 2.198 56.973 54.840 -0.108 0.000 0.915 72 L CB 0.036 42.055 42.059 -0.066 0.000 1.160 72 L HN 0.960 nan 8.230 nan 0.000 0.494 73 G N 1.720 110.485 108.800 -0.058 0.000 2.194 73 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.236 73 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.236 73 G C 0.336 175.231 174.900 -0.008 0.000 0.987 73 G CA 0.277 45.361 45.100 -0.027 0.000 0.635 73 G HN 1.062 nan 8.290 nan 0.000 0.520 74 S N 0.553 116.251 115.700 -0.003 0.000 2.600 74 S HA 0.579 5.049 4.470 -0.000 0.000 0.265 74 S C -0.678 173.964 174.600 0.070 0.000 1.325 74 S CA -0.263 57.963 58.200 0.043 0.000 1.002 74 S CB 1.917 65.161 63.200 0.073 0.000 0.921 74 S HN 0.002 nan 8.310 nan 0.000 0.554 75 P HA -0.094 nan 4.420 nan 0.000 0.215 75 P C 1.241 178.672 177.300 0.219 0.000 1.153 75 P CA 1.148 64.327 63.100 0.133 0.000 0.853 75 P CB -0.091 31.694 31.700 0.141 0.000 0.788 76 W N 0.086 121.414 121.300 0.046 0.000 2.402 76 W HA -0.131 4.529 4.660 -0.000 0.000 0.286 76 W C 1.624 178.168 176.519 0.041 0.000 1.221 76 W CA 0.622 58.012 57.345 0.076 0.000 1.257 76 W CB -0.048 29.485 29.460 0.122 0.000 1.120 76 W HN -0.154 nan 8.180 nan 0.000 0.551 77 R N 0.311 120.823 120.500 0.020 0.000 2.119 77 R HA -0.024 4.316 4.340 -0.000 0.000 0.222 77 R C 2.072 178.289 176.300 -0.140 0.000 1.088 77 R CA 0.931 56.936 56.100 -0.158 0.000 0.984 77 R CB -0.655 29.529 30.300 -0.193 0.000 0.884 77 R HN 0.299 nan 8.270 nan 0.000 0.447 78 R N -0.252 120.204 120.500 -0.073 0.000 2.210 78 R HA 0.172 4.512 4.340 -0.000 0.000 0.203 78 R C 1.098 177.358 176.300 -0.068 0.000 1.010 78 R CA -0.189 55.875 56.100 -0.061 0.000 1.008 78 R CB 0.004 30.285 30.300 -0.031 0.000 0.923 78 R HN 0.105 nan 8.270 nan 0.000 0.469 79 M N 2.298 121.855 119.600 -0.072 0.000 2.248 79 M HA -0.061 4.419 4.480 -0.000 0.000 0.343 79 M C -0.725 175.526 176.300 -0.083 0.000 1.243 79 M CA 0.488 55.752 55.300 -0.059 0.000 1.025 79 M CB 0.517 33.109 32.600 -0.013 0.000 1.759 79 M HN -0.059 nan 8.290 nan 0.000 0.452 80 D N 4.056 124.433 120.400 -0.039 0.000 2.443 80 D HA 0.073 4.713 4.640 -0.000 0.000 0.239 80 D C 0.834 177.123 176.300 -0.020 0.000 1.136 80 D CA 0.576 54.562 54.000 -0.022 0.000 0.879 80 D CB 1.059 41.860 40.800 0.001 0.000 1.195 80 D HN 0.782 nan 8.370 nan 0.000 0.443 81 A N 2.303 125.104 122.820 -0.032 0.000 1.940 81 A HA -0.218 4.101 4.320 -0.000 0.000 0.219 81 A C 2.109 179.695 177.584 0.002 0.000 1.176 81 A CA 2.157 54.174 52.037 -0.033 0.000 0.631 81 A CB -0.584 18.416 19.000 -0.000 0.000 0.814 81 A HN 0.597 nan 8.150 nan 0.000 0.446 82 S N -1.230 114.485 115.700 0.025 0.000 2.419 82 S HA -0.236 4.234 4.470 -0.000 0.000 0.233 82 S C 1.802 176.431 174.600 0.048 0.000 1.016 82 S CA 1.581 59.801 58.200 0.033 0.000 0.974 82 S CB -0.649 62.571 63.200 0.034 0.000 0.786 82 S HN 0.739 nan 8.310 nan 0.000 0.492 83 H N 1.590 120.638 119.070 -0.038 0.000 2.436 83 H HA 0.256 4.812 4.556 -0.000 0.000 0.294 83 H C 2.279 177.585 175.328 -0.038 0.000 1.048 83 H CA 1.271 57.295 56.048 -0.039 0.000 1.353 83 H CB -0.069 29.666 29.762 -0.044 0.000 1.414 83 H HN 0.335 nan 8.280 nan 0.000 0.536 84 R N -0.663 119.794 120.500 -0.071 0.000 2.096 84 R HA -0.074 4.266 4.340 -0.000 0.000 0.235 84 R C 2.474 178.771 176.300 -0.006 0.000 1.127 84 R CA 1.074 57.146 56.100 -0.046 0.000 0.968 84 R CB -0.494 29.756 30.300 -0.085 0.000 0.861 84 R HN 0.422 nan 8.270 nan 0.000 0.440 85 G N 1.122 109.917 108.800 -0.009 0.000 2.418 85 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 85 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 85 G C 1.456 176.336 174.900 -0.034 0.000 1.158 85 G CA 0.197 45.306 45.100 0.015 0.000 0.771 85 G HN 0.122 nan 8.290 nan 0.000 0.545 86 R N 0.191 120.620 120.500 -0.119 0.000 2.081 86 R HA 0.083 4.422 4.340 -0.000 0.000 0.235 86 R C 2.642 178.820 176.300 -0.204 0.000 1.131 86 R CA 0.563 56.569 56.100 -0.156 0.000 0.960 86 R CB -1.070 29.106 30.300 -0.208 0.000 0.856 86 R HN 0.404 nan 8.270 nan 0.000 0.436 87 L N 0.362 121.375 121.223 -0.350 0.000 2.046 87 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 87 L C 2.482 179.287 176.870 -0.109 0.000 1.077 87 L CA 1.071 55.640 54.840 -0.452 0.000 0.747 87 L CB -0.468 41.000 42.059 -0.984 0.000 0.896 87 L HN 0.115 nan 8.230 nan 0.000 0.432 88 L N -0.412 120.868 121.223 0.094 0.000 2.046 88 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 88 L C 2.371 179.335 176.870 0.157 0.000 1.077 88 L CA 1.023 56.018 54.840 0.258 0.000 0.747 88 L CB -0.521 41.690 42.059 0.254 0.000 0.896 88 L HN 0.356 nan 8.230 nan 0.000 0.432 89 N N -0.213 118.535 118.700 0.080 0.000 2.244 89 N HA -0.177 4.563 4.740 -0.000 0.000 0.183 89 N C 1.953 177.497 175.510 0.056 0.000 1.016 89 N CA 0.802 53.889 53.050 0.061 0.000 0.866 89 N CB -0.108 38.396 38.487 0.029 0.000 0.980 89 N HN 0.157 nan 8.380 nan 0.000 0.430 90 R N 1.402 121.923 120.500 0.036 0.000 2.075 90 R HA 0.010 4.350 4.340 -0.000 0.000 0.232 90 R C 2.014 178.363 176.300 0.082 0.000 1.126 90 R CA 0.780 56.901 56.100 0.035 0.000 0.963 90 R CB -1.029 29.264 30.300 -0.012 0.000 0.858 90 R HN 0.148 nan 8.270 nan 0.000 0.435 91 L N 0.358 121.666 121.223 0.142 0.000 2.083 91 L HA 0.030 4.370 4.340 -0.000 0.000 0.209 91 L C 2.056 178.996 176.870 0.116 0.000 1.083 91 L CA 2.227 57.167 54.840 0.167 0.000 0.752 91 L CB -0.985 41.230 42.059 0.259 0.000 0.899 91 L HN 0.269 nan 8.230 nan 0.000 0.433 92 A N -1.037 121.850 122.820 0.113 0.000 1.930 92 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 92 A C 1.990 179.620 177.584 0.078 0.000 1.175 92 A CA 1.706 53.800 52.037 0.095 0.000 0.627 92 A CB -0.712 18.346 19.000 0.097 0.000 0.815 92 A HN 0.512 nan 8.150 nan 0.000 0.443 93 D N 0.139 120.581 120.400 0.071 0.000 2.144 93 D HA -0.099 4.541 4.640 -0.000 0.000 0.199 93 D C 1.954 178.293 176.300 0.066 0.000 0.984 93 D CA 0.950 54.986 54.000 0.060 0.000 0.834 93 D CB -0.289 40.541 40.800 0.050 0.000 0.955 93 D HN 0.452 nan 8.370 nan 0.000 0.465 94 L N 0.407 121.673 121.223 0.070 0.000 2.056 94 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 94 L C 2.519 179.449 176.870 0.100 0.000 1.078 94 L CA 0.627 55.511 54.840 0.074 0.000 0.749 94 L CB -0.254 41.841 42.059 0.060 0.000 0.901 94 L HN 0.007 nan 8.230 nan 0.000 0.433 95 I N -0.154 120.476 120.570 0.100 0.000 2.286 95 I HA -0.291 3.879 4.170 -0.000 0.000 0.248 95 I C 2.577 178.755 176.117 0.101 0.000 1.115 95 I CA 1.303 62.674 61.300 0.118 0.000 1.392 95 I CB -0.162 37.897 38.000 0.098 0.000 1.065 95 I HN 0.329 nan 8.210 nan 0.000 0.418 96 E N 1.152 121.397 120.200 0.074 0.000 2.106 96 E HA -0.253 4.097 4.350 -0.000 0.000 0.192 96 E C 2.387 179.035 176.600 0.080 0.000 0.984 96 E CA 0.790 57.223 56.400 0.054 0.000 0.806 96 E CB 0.006 29.733 29.700 0.046 0.000 0.750 96 E HN 0.263 nan 8.360 nan 0.000 0.458 97 R N 0.409 120.963 120.500 0.090 0.000 2.081 97 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 97 R C 0.322 176.696 176.300 0.124 0.000 1.131 97 R CA 1.811 57.968 56.100 0.095 0.000 0.960 97 R CB 0.005 30.353 30.300 0.080 0.000 0.856 97 R HN 0.124 nan 8.270 nan 0.000 0.436 98 D N -0.019 120.476 120.400 0.158 0.000 2.491 98 D HA 0.028 4.668 4.640 -0.000 0.000 0.228 98 D C 1.043 177.483 176.300 0.232 0.000 1.183 98 D CA -0.052 54.074 54.000 0.211 0.000 0.827 98 D CB 0.268 41.240 40.800 0.288 0.000 0.989 98 D HN 0.260 nan 8.370 nan 0.000 0.494 99 R N 0.817 121.419 120.500 0.171 0.000 2.083 99 R HA -0.165 4.175 4.340 -0.000 0.000 0.237 99 R C 2.032 178.469 176.300 0.227 0.000 1.137 99 R CA 2.137 58.303 56.100 0.109 0.000 0.951 99 R CB -0.183 30.100 30.300 -0.028 0.000 0.851 99 R HN 0.219 nan 8.270 nan 0.000 0.434 100 T N -1.771 113.007 114.554 0.372 0.000 2.788 100 T HA -0.222 4.128 4.350 -0.000 0.000 0.268 100 T C 1.849 176.770 174.700 0.368 0.000 1.044 100 T CA 1.307 63.700 62.100 0.489 0.000 1.139 100 T CB -0.671 68.438 68.868 0.402 0.000 0.867 100 T HN 0.457 nan 8.240 nan 0.000 0.454 101 Y N 2.118 122.514 120.300 0.160 0.000 2.089 101 Y HA 0.047 4.597 4.550 -0.000 0.000 0.282 101 Y C 2.190 178.132 175.900 0.070 0.000 1.139 101 Y CA 1.135 59.277 58.100 0.070 0.000 1.123 101 Y CB -0.678 37.762 38.460 -0.033 0.000 0.980 101 Y HN 0.159 nan 8.280 nan 0.000 0.493 102 L N 0.008 121.221 121.223 -0.017 0.000 2.079 102 L HA -0.279 4.061 4.340 -0.000 0.000 0.210 102 L C 2.770 179.624 176.870 -0.027 0.000 1.081 102 L CA 1.335 56.124 54.840 -0.084 0.000 0.752 102 L CB -0.941 41.184 42.059 0.110 0.000 0.896 102 L HN 0.421 nan 8.230 nan 0.000 0.433 103 A N -0.322 122.568 122.820 0.117 0.000 1.902 103 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 103 A C 2.505 180.272 177.584 0.305 0.000 1.181 103 A CA 1.691 53.849 52.037 0.202 0.000 0.623 103 A CB -0.673 18.519 19.000 0.320 0.000 0.818 103 A HN 0.412 nan 8.150 nan 0.000 0.443 104 A N -0.619 122.407 122.820 0.344 0.000 1.898 104 A HA 0.010 4.330 4.320 -0.000 0.000 0.216 104 A C 2.101 179.768 177.584 0.140 0.000 1.181 104 A CA 1.643 53.895 52.037 0.359 0.000 0.620 104 A CB -0.614 18.477 19.000 0.151 0.000 0.819 104 A HN 0.622 nan 8.150 nan 0.000 0.442 105 L N -0.056 121.079 121.223 -0.147 0.000 2.083 105 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 105 L C 2.206 179.024 176.870 -0.087 0.000 1.083 105 L CA 2.629 57.343 54.840 -0.209 0.000 0.752 105 L CB -0.590 41.189 42.059 -0.466 0.000 0.899 105 L HN 0.511 nan 8.230 nan 0.000 0.433 106 E N -1.172 118.995 120.200 -0.055 0.000 2.072 106 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 106 E C 2.024 178.586 176.600 -0.063 0.000 0.985 106 E CA 1.905 58.283 56.400 -0.037 0.000 0.801 106 E CB -0.294 29.398 29.700 -0.014 0.000 0.750 106 E HN 0.474 nan 8.360 nan 0.000 0.452 107 T N 0.719 115.225 114.554 -0.079 0.000 2.737 107 T HA -0.125 4.225 4.350 -0.000 0.000 0.265 107 T C 1.706 176.277 174.700 -0.215 0.000 1.038 107 T CA 1.149 63.116 62.100 -0.221 0.000 1.144 107 T CB -0.412 68.172 68.868 -0.473 0.000 0.866 107 T HN 0.115 nan 8.240 nan 0.000 0.434 108 L N 1.385 122.551 121.223 -0.094 0.000 2.013 108 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 108 L C 2.065 178.912 176.870 -0.039 0.000 1.073 108 L CA 1.937 56.778 54.840 0.002 0.000 0.753 108 L CB -0.470 41.641 42.059 0.085 0.000 0.890 108 L HN 0.127 nan 8.230 nan 0.000 0.432 109 D N -1.713 118.660 120.400 -0.045 0.000 2.183 109 D HA -0.143 4.497 4.640 -0.000 0.000 0.205 109 D C 1.923 178.193 176.300 -0.051 0.000 0.962 109 D CA 0.884 54.862 54.000 -0.037 0.000 0.849 109 D CB 0.004 40.793 40.800 -0.019 0.000 0.978 109 D HN 0.456 nan 8.370 nan 0.000 0.488 110 N N -0.696 117.962 118.700 -0.069 0.000 2.368 110 N HA -0.035 4.705 4.740 -0.000 0.000 0.178 110 N C 1.322 176.752 175.510 -0.134 0.000 1.021 110 N CA 1.604 54.605 53.050 -0.082 0.000 0.875 110 N CB 0.822 39.264 38.487 -0.075 0.000 1.020 110 N HN 0.248 nan 8.380 nan 0.000 0.433 111 G N 1.442 110.144 108.800 -0.163 0.000 2.218 111 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 111 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 111 G C -0.089 174.684 174.900 -0.211 0.000 0.994 111 G CA 0.336 45.315 45.100 -0.201 0.000 0.637 111 G HN 0.675 nan 8.290 nan 0.000 0.505 112 K N 0.998 121.276 120.400 -0.204 0.000 2.295 112 K HA 0.503 4.823 4.320 -0.000 0.000 0.270 112 K C -2.650 173.848 176.600 -0.171 0.000 1.011 112 K CA -1.401 54.766 56.287 -0.200 0.000 0.953 112 K CB 0.693 33.056 32.500 -0.230 0.000 0.956 112 K HN 0.040 nan 8.250 nan 0.000 0.477 113 P HA -0.138 nan 4.420 nan 0.000 0.264 113 P C -0.305 176.964 177.300 -0.052 0.000 1.183 113 P CA 0.069 63.128 63.100 -0.068 0.000 0.763 113 P CB 0.112 31.807 31.700 -0.008 0.000 0.807 114 Y N 4.629 124.835 120.300 -0.157 0.000 2.207 114 Y HA -0.235 4.315 4.550 -0.000 0.000 0.287 114 Y C 1.829 177.773 175.900 0.073 0.000 1.156 114 Y CA 1.742 59.806 58.100 -0.060 0.000 1.182 114 Y CB -0.884 37.605 38.460 0.049 0.000 0.979 114 Y HN 0.085 nan 8.280 nan 0.000 0.521 115 V N 0.356 120.190 119.914 -0.133 0.000 2.343 115 V HA -0.314 3.806 4.120 -0.000 0.000 0.247 115 V C 2.363 178.417 176.094 -0.066 0.000 1.051 115 V CA 1.786 63.992 62.300 -0.156 0.000 1.036 115 V CB -0.629 31.197 31.823 0.003 0.000 0.654 115 V HN 0.420 nan 8.190 nan 0.000 0.451 116 I N -0.435 120.134 120.570 -0.000 0.000 2.353 116 I HA -0.127 4.043 4.170 -0.000 0.000 0.248 116 I C 2.586 178.735 176.117 0.052 0.000 1.119 116 I CA 1.320 62.668 61.300 0.080 0.000 1.417 116 I CB -1.414 36.651 38.000 0.108 0.000 1.078 116 I HN 0.252 nan 8.210 nan 0.000 0.421 117 S N 0.073 115.759 115.700 -0.023 0.000 2.359 117 S HA -0.231 4.239 4.470 -0.000 0.000 0.224 117 S C 2.056 176.647 174.600 -0.016 0.000 1.035 117 S CA 1.417 59.607 58.200 -0.016 0.000 1.018 117 S CB -0.386 62.802 63.200 -0.021 0.000 0.876 117 S HN 0.469 nan 8.310 nan 0.000 0.448 118 Y N 1.424 121.578 120.300 -0.243 0.000 2.153 118 Y HA 0.059 4.609 4.550 -0.000 0.000 0.289 118 Y C 1.944 177.796 175.900 -0.081 0.000 1.127 118 Y CA 1.365 59.343 58.100 -0.203 0.000 1.131 118 Y CB -0.153 38.061 38.460 -0.411 0.000 0.995 118 Y HN 0.122 nan 8.280 nan 0.000 0.505 119 L N -1.235 120.099 121.223 0.184 0.000 2.240 119 L HA -0.102 4.238 4.340 -0.000 0.000 0.211 119 L C 1.694 178.614 176.870 0.084 0.000 1.106 119 L CA 0.471 55.401 54.840 0.150 0.000 0.793 119 L CB -0.222 41.930 42.059 0.154 0.000 0.927 119 L HN 0.187 nan 8.230 nan 0.000 0.446 120 V N -0.958 119.015 119.914 0.098 0.000 2.695 120 V HA -0.065 4.055 4.120 -0.000 0.000 0.230 120 V C 1.705 177.854 176.094 0.091 0.000 1.110 120 V CA 0.920 63.297 62.300 0.128 0.000 1.159 120 V CB -0.351 31.622 31.823 0.251 0.000 0.875 120 V HN 0.181 nan 8.190 nan 0.000 0.502 121 D N 0.804 121.266 120.400 0.103 0.000 2.127 121 D HA -0.223 4.417 4.640 -0.000 0.000 0.190 121 D C 1.966 178.270 176.300 0.007 0.000 1.000 121 D CA 1.729 55.767 54.000 0.063 0.000 0.839 121 D CB -0.371 40.476 40.800 0.079 0.000 0.955 121 D HN 0.204 nan 8.370 nan 0.000 0.446 122 L N 0.141 121.345 121.223 -0.031 0.000 2.083 122 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 122 L C 1.896 178.729 176.870 -0.062 0.000 1.083 122 L CA 1.351 56.151 54.840 -0.067 0.000 0.752 122 L CB -0.336 41.630 42.059 -0.156 0.000 0.899 122 L HN 0.024 nan 8.230 nan 0.000 0.433 123 D N -0.524 119.837 120.400 -0.065 0.000 2.097 123 D HA -0.244 4.396 4.640 -0.000 0.000 0.195 123 D C 2.235 178.549 176.300 0.024 0.000 0.989 123 D CA 1.575 55.559 54.000 -0.027 0.000 0.827 123 D CB 0.014 40.810 40.800 -0.006 0.000 0.966 123 D HN 0.212 nan 8.370 nan 0.000 0.456 124 M N -0.570 119.055 119.600 0.040 0.000 2.296 124 M HA -0.093 4.387 4.480 -0.000 0.000 0.265 124 M C 2.118 178.481 176.300 0.105 0.000 1.064 124 M CA 0.510 55.857 55.300 0.079 0.000 1.109 124 M CB 0.140 32.782 32.600 0.071 0.000 1.396 124 M HN 0.006 nan 8.290 nan 0.000 0.430 125 V N 0.710 120.662 119.914 0.062 0.000 2.307 125 V HA -0.244 3.876 4.120 -0.000 0.000 0.245 125 V C 2.235 178.393 176.094 0.106 0.000 1.045 125 V CA 1.581 63.928 62.300 0.079 0.000 1.024 125 V CB -0.486 31.360 31.823 0.038 0.000 0.651 125 V HN 0.453 nan 8.190 nan 0.000 0.449 126 L N -0.579 120.689 121.223 0.074 0.000 2.046 126 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 126 L C 2.570 179.503 176.870 0.105 0.000 1.077 126 L CA 1.728 56.616 54.840 0.079 0.000 0.747 126 L CB -0.624 41.461 42.059 0.043 0.000 0.896 126 L HN 0.282 nan 8.230 nan 0.000 0.432 127 K N -0.840 119.621 120.400 0.102 0.000 2.097 127 K HA -0.189 4.131 4.320 -0.000 0.000 0.205 127 K C 2.294 178.992 176.600 0.163 0.000 1.050 127 K CA 1.473 57.826 56.287 0.110 0.000 0.938 127 K CB -0.401 32.146 32.500 0.079 0.000 0.718 127 K HN 0.385 nan 8.250 nan 0.000 0.442 128 C N 1.184 120.609 119.300 0.209 0.000 2.453 128 C HA -0.050 4.410 4.460 -0.000 0.000 0.277 128 C C 2.416 177.634 174.990 0.380 0.000 1.262 128 C CA 0.611 59.819 59.018 0.316 0.000 1.718 128 C CB -0.894 27.101 27.740 0.424 0.000 2.031 128 C HN 0.388 nan 8.230 nan 0.000 0.480 129 L N 0.232 121.630 121.223 0.292 0.000 2.056 129 L HA -0.086 4.254 4.340 -0.000 0.000 0.207 129 L C 2.973 179.983 176.870 0.234 0.000 1.078 129 L CA 1.631 56.634 54.840 0.272 0.000 0.749 129 L CB -0.678 41.498 42.059 0.194 0.000 0.901 129 L HN 0.310 nan 8.230 nan 0.000 0.433 130 R N -1.423 119.185 120.500 0.180 0.000 2.148 130 R HA -0.173 4.167 4.340 -0.000 0.000 0.223 130 R C 2.216 178.581 176.300 0.109 0.000 1.088 130 R CA 1.134 57.309 56.100 0.125 0.000 0.985 130 R CB -0.306 30.052 30.300 0.096 0.000 0.880 130 R HN 0.268 nan 8.270 nan 0.000 0.451 131 Y N -0.040 120.260 120.300 0.000 0.000 2.133 131 Y HA -0.238 4.312 4.550 -0.000 0.000 0.287 131 Y C 1.547 177.373 175.900 -0.124 0.000 1.134 131 Y CA 1.417 59.445 58.100 -0.120 0.000 1.133 131 Y CB -0.460 37.879 38.460 -0.203 0.000 0.987 131 Y HN -0.004 nan 8.280 nan 0.000 0.502 132 Y N -0.184 120.191 120.300 0.126 0.000 2.333 132 Y HA -0.152 4.398 4.550 -0.000 0.000 0.290 132 Y C 2.605 178.541 175.900 0.060 0.000 1.144 132 Y CA 0.820 58.978 58.100 0.097 0.000 1.228 132 Y CB -0.557 38.005 38.460 0.170 0.000 0.985 132 Y HN 0.277 nan 8.280 nan 0.000 0.542 133 A N 0.132 123.051 122.820 0.166 0.000 1.940 133 A HA -0.166 4.153 4.320 -0.000 0.000 0.219 133 A C 2.512 180.106 177.584 0.018 0.000 1.176 133 A CA 1.784 53.885 52.037 0.107 0.000 0.631 133 A CB -1.399 17.648 19.000 0.079 0.000 0.814 133 A HN 0.470 nan 8.150 nan 0.000 0.446 134 G N -2.465 106.272 108.800 -0.105 0.000 2.443 134 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.219 134 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.219 134 G C 1.323 176.058 174.900 -0.275 0.000 1.131 134 G CA 0.656 45.615 45.100 -0.235 0.000 0.775 134 G HN 0.683 nan 8.290 nan 0.000 0.547 135 W N 0.520 121.707 121.300 -0.189 0.000 2.770 135 W HA 0.324 4.984 4.660 -0.000 0.000 0.256 135 W C 2.710 179.208 176.519 -0.035 0.000 1.291 135 W CA 0.132 57.396 57.345 -0.135 0.000 1.396 135 W CB 0.352 29.733 29.460 -0.131 0.000 1.114 135 W HN 0.238 nan 8.180 nan 0.000 0.637 136 A N 1.087 124.039 122.820 0.220 0.000 1.971 136 A HA -0.287 4.033 4.320 -0.000 0.000 0.222 136 A C 1.292 178.947 177.584 0.119 0.000 1.182 136 A CA 2.418 54.547 52.037 0.153 0.000 0.649 136 A CB -0.759 18.300 19.000 0.098 0.000 0.818 136 A HN 0.375 nan 8.150 nan 0.000 0.458 137 D N -2.533 117.920 120.400 0.089 0.000 2.623 137 D HA 0.218 4.858 4.640 -0.000 0.000 0.252 137 D C 0.442 176.760 176.300 0.030 0.000 1.294 137 D CA -0.084 53.951 54.000 0.058 0.000 0.824 137 D CB -0.029 40.791 40.800 0.033 0.000 1.070 137 D HN 0.452 nan 8.370 nan 0.000 0.487 138 K N -0.566 119.876 120.400 0.071 0.000 2.517 138 K HA 0.061 4.381 4.320 -0.000 0.000 0.210 138 K C -0.543 176.014 176.600 -0.072 0.000 1.166 138 K CA -0.498 55.741 56.287 -0.079 0.000 1.030 138 K CB 0.886 33.349 32.500 -0.061 0.000 0.974 138 K HN -0.028 nan 8.250 nan 0.000 0.585 139 Y N 2.909 123.190 120.300 -0.032 0.000 2.691 139 Y HA 0.169 4.719 4.550 -0.000 0.000 0.338 139 Y C -0.387 175.468 175.900 -0.075 0.000 1.148 139 Y CA -1.274 56.812 58.100 -0.023 0.000 1.430 139 Y CB -0.786 37.690 38.460 0.027 0.000 1.303 139 Y HN 0.080 nan 8.280 nan 0.000 0.499 140 H N 1.404 120.422 119.070 -0.087 0.000 2.679 140 H HA 0.450 5.006 4.556 -0.000 0.000 0.369 140 H C 0.850 175.788 175.328 -0.650 0.000 1.178 140 H CA 0.205 56.104 56.048 -0.249 0.000 1.419 140 H CB 0.834 30.524 29.762 -0.120 0.000 1.458 140 H HN 0.735 nan 8.280 nan 0.000 0.605 141 G N 0.254 108.805 108.800 -0.414 0.000 2.568 141 G HA2 0.485 4.445 3.960 -0.000 0.000 0.293 141 G HA3 0.485 4.445 3.960 -0.000 0.000 0.293 141 G C -0.837 173.929 174.900 -0.223 0.000 1.347 141 G CA -0.911 43.837 45.100 -0.588 0.000 1.039 141 G HN 0.531 nan 8.290 nan 0.000 0.523 142 K N -0.628 119.705 120.400 -0.113 0.000 2.395 142 K HA 0.545 4.865 4.320 -0.000 0.000 0.247 142 K C -0.946 175.687 176.600 0.054 0.000 0.973 142 K CA -0.701 55.571 56.287 -0.025 0.000 0.828 142 K CB 2.120 34.613 32.500 -0.012 0.000 1.272 142 K HN 0.587 nan 8.250 nan 0.000 0.439 143 T N -0.748 113.854 114.554 0.080 0.000 2.756 143 T HA 0.545 4.895 4.350 -0.000 0.000 0.290 143 T C -0.031 174.744 174.700 0.125 0.000 0.985 143 T CA -0.723 61.481 62.100 0.172 0.000 0.955 143 T CB -0.129 68.881 68.868 0.237 0.000 0.930 143 T HN 0.366 nan 8.240 nan 0.000 0.451 144 I N 5.545 126.181 120.570 0.111 0.000 2.336 144 I HA 0.343 4.513 4.170 -0.000 0.000 0.292 144 I C -1.847 174.332 176.117 0.103 0.000 0.991 144 I CA -2.742 58.603 61.300 0.076 0.000 1.227 144 I CB 2.138 40.156 38.000 0.031 0.000 1.366 144 I HN 0.464 nan 8.210 nan 0.000 0.466 145 P HA 0.160 nan 4.420 nan 0.000 0.225 145 P C -0.081 177.268 177.300 0.082 0.000 1.813 145 P CA -0.129 63.026 63.100 0.093 0.000 1.013 145 P CB -0.394 31.347 31.700 0.068 0.000 1.961 146 I N -1.573 119.053 120.570 0.093 0.000 3.004 146 I HA 0.290 4.460 4.170 -0.000 0.000 0.287 146 I C -0.084 176.101 176.117 0.113 0.000 1.144 146 I CA -0.276 61.069 61.300 0.074 0.000 1.353 146 I CB 0.519 38.538 38.000 0.032 0.000 1.417 146 I HN -0.127 nan 8.210 nan 0.000 0.602 147 D N 2.852 123.307 120.400 0.093 0.000 2.368 147 D HA 0.455 5.094 4.640 -0.000 0.000 0.240 147 D C 0.543 176.987 176.300 0.240 0.000 1.169 147 D CA 1.336 55.408 54.000 0.120 0.000 0.906 147 D CB 0.812 41.659 40.800 0.079 0.000 1.187 147 D HN 1.119 nan 8.370 nan 0.000 0.435 148 G N 0.990 109.923 108.800 0.222 0.000 2.796 148 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.571 148 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.571 148 G C -0.779 174.194 174.900 0.121 0.000 1.370 148 G CA -0.718 44.550 45.100 0.280 0.000 0.856 148 G HN 0.521 nan 8.290 nan 0.000 0.538 149 D N 0.939 121.173 120.400 -0.278 0.000 2.619 149 D HA 0.469 5.109 4.640 -0.000 0.000 0.224 149 D C -0.113 175.710 176.300 -0.795 0.000 1.133 149 D CA 0.951 54.701 54.000 -0.417 0.000 1.017 149 D CB -0.379 40.203 40.800 -0.362 0.000 1.077 149 D HN 0.252 nan 8.370 nan 0.000 0.503 150 F N 0.395 120.392 119.950 0.078 0.000 2.613 150 F HA 0.415 4.942 4.527 -0.000 0.000 0.314 150 F C -0.446 175.472 175.800 0.197 0.000 1.075 150 F CA -1.423 56.642 58.000 0.107 0.000 0.945 150 F CB 1.662 40.696 39.000 0.057 0.000 1.310 150 F HN -0.135 nan 8.300 nan 0.000 0.467 151 F N 1.988 122.081 119.950 0.238 0.000 2.460 151 F HA 0.666 5.193 4.527 -0.000 0.000 0.341 151 F C -0.688 175.237 175.800 0.208 0.000 1.130 151 F CA -1.178 56.934 58.000 0.186 0.000 0.962 151 F CB 1.184 40.279 39.000 0.159 0.000 1.171 151 F HN 0.274 nan 8.300 nan 0.000 0.436 152 S N 6.824 122.494 115.700 -0.050 0.000 2.482 152 S HA 0.824 5.294 4.470 -0.000 0.000 0.303 152 S C -1.404 173.056 174.600 -0.233 0.000 1.091 152 S CA -0.257 57.800 58.200 -0.240 0.000 1.057 152 S CB 0.714 63.861 63.200 -0.089 0.000 1.031 152 S HN 0.704 nan 8.310 nan 0.000 0.485 153 Y N 0.056 120.116 120.300 -0.401 0.000 2.670 153 Y HA 0.784 5.334 4.550 -0.000 0.000 0.334 153 Y C -0.648 175.151 175.900 -0.169 0.000 1.185 153 Y CA -1.064 56.875 58.100 -0.269 0.000 1.053 153 Y CB 0.905 39.171 38.460 -0.324 0.000 1.298 153 Y HN 0.556 nan 8.280 nan 0.000 0.459 154 T N -0.336 114.251 114.554 0.056 0.000 2.863 154 T HA 0.733 5.083 4.350 -0.000 0.000 0.285 154 T C -0.931 173.813 174.700 0.075 0.000 1.009 154 T CA -1.057 61.045 62.100 0.004 0.000 0.989 154 T CB 1.995 70.873 68.868 0.017 0.000 1.004 154 T HN 0.819 nan 8.240 nan 0.000 0.455 155 R N 0.833 121.385 120.500 0.087 0.000 2.514 155 R HA 0.374 4.714 4.340 -0.000 0.000 0.301 155 R C -0.542 175.880 176.300 0.203 0.000 0.962 155 R CA -0.750 55.417 56.100 0.111 0.000 0.882 155 R CB 1.320 31.694 30.300 0.123 0.000 1.143 155 R HN 0.735 nan 8.270 nan 0.000 0.452 156 H N 2.159 121.243 119.070 0.024 0.000 2.741 156 H HA 0.148 4.704 4.556 -0.000 0.000 0.282 156 H C -0.405 174.981 175.328 0.097 0.000 1.122 156 H CA -0.390 55.683 56.048 0.041 0.000 1.293 156 H CB 1.037 30.785 29.762 -0.022 0.000 1.415 156 H HN 0.367 nan 8.280 nan 0.000 0.472 157 E N 4.301 124.622 120.200 0.203 0.000 2.227 157 E HA 0.244 4.594 4.350 -0.000 0.000 0.268 157 E C -2.486 174.232 176.600 0.197 0.000 0.990 157 E CA -2.337 54.170 56.400 0.178 0.000 0.856 157 E CB 1.356 31.146 29.700 0.149 0.000 1.159 157 E HN 0.381 nan 8.360 nan 0.000 0.401 158 P HA -0.076 nan 4.420 nan 0.000 0.269 158 P C 0.555 177.981 177.300 0.210 0.000 1.209 158 P CA 0.023 63.286 63.100 0.271 0.000 0.776 158 P CB 0.691 32.659 31.700 0.447 0.000 0.876 159 V N 1.906 121.885 119.914 0.108 0.000 2.667 159 V HA 0.064 4.184 4.120 -0.000 0.000 0.252 159 V C 1.114 177.141 176.094 -0.111 0.000 1.065 159 V CA 2.650 64.963 62.300 0.023 0.000 1.083 159 V CB -1.101 30.724 31.823 0.003 0.000 0.692 159 V HN 0.978 nan 8.190 nan 0.000 0.468 160 G N -0.863 107.720 108.800 -0.362 0.000 2.390 160 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.202 160 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.202 160 G C -0.444 174.049 174.900 -0.677 0.000 1.210 160 G CA -0.223 44.279 45.100 -0.998 0.000 1.271 160 G HN 0.526 nan 8.290 nan 0.000 0.543 161 V N 1.280 120.944 119.914 -0.416 0.000 2.389 161 V HA 0.428 4.548 4.120 -0.000 0.000 0.264 161 V C 0.409 176.437 176.094 -0.109 0.000 1.049 161 V CA -0.252 61.919 62.300 -0.214 0.000 0.932 161 V CB 0.300 32.033 31.823 -0.149 0.000 1.011 161 V HN 0.818 nan 8.190 nan 0.000 0.475 162 C N 4.678 123.948 119.300 -0.049 0.000 2.273 162 C HA 0.697 5.157 4.460 -0.000 0.000 0.328 162 C C 1.078 176.086 174.990 0.030 0.000 1.275 162 C CA -0.897 58.139 59.018 0.031 0.000 1.704 162 C CB 0.361 28.197 27.740 0.161 0.000 2.326 162 C HN 0.990 nan 8.230 nan 0.000 0.517 163 G N 2.950 111.770 108.800 0.033 0.000 2.320 163 G HA2 0.512 4.472 3.960 -0.000 0.000 0.300 163 G HA3 0.512 4.472 3.960 -0.000 0.000 0.300 163 G C -0.768 174.180 174.900 0.079 0.000 1.126 163 G CA -0.145 44.978 45.100 0.038 0.000 0.896 163 G HN 0.816 nan 8.290 nan 0.000 0.436 164 Q N 1.831 121.678 119.800 0.078 0.000 2.339 164 Q HA 0.395 4.735 4.340 -0.000 0.000 0.268 164 Q C -0.624 175.434 176.000 0.097 0.000 1.027 164 Q CA -0.375 55.487 55.803 0.099 0.000 0.759 164 Q CB 2.534 31.324 28.738 0.087 0.000 1.244 164 Q HN 0.537 nan 8.270 nan 0.000 0.464 165 I N 5.020 125.672 120.570 0.136 0.000 2.330 165 I HA 0.424 4.594 4.170 -0.000 0.000 0.289 165 I C -0.035 176.112 176.117 0.049 0.000 1.001 165 I CA -0.763 60.630 61.300 0.155 0.000 1.193 165 I CB 0.658 38.859 38.000 0.336 0.000 1.345 165 I HN 0.527 nan 8.210 nan 0.000 0.461 166 I N 5.651 126.231 120.570 0.017 0.000 2.603 166 I HA 0.723 4.893 4.170 -0.000 0.000 0.300 166 I C -2.585 173.492 176.117 -0.067 0.000 1.017 166 I CA -2.227 59.039 61.300 -0.057 0.000 1.098 166 I CB 2.133 40.119 38.000 -0.023 0.000 1.279 166 I HN 0.234 nan 8.210 nan 0.000 0.437 167 P HA 0.128 nan 4.420 nan 0.000 0.297 167 P C -0.155 177.063 177.300 -0.137 0.000 1.303 167 P CA -0.099 62.858 63.100 -0.240 0.000 0.753 167 P CB 0.545 31.979 31.700 -0.443 0.000 1.281 168 W N -0.033 121.265 121.300 -0.003 0.000 3.103 168 W HA 0.079 4.739 4.660 -0.000 0.000 0.325 168 W C 0.939 177.400 176.519 -0.097 0.000 1.170 168 W CA 0.062 57.389 57.345 -0.030 0.000 1.712 168 W CB -1.469 27.980 29.460 -0.018 0.000 1.068 168 W HN 0.200 nan 8.180 nan 0.000 0.592 169 N N 2.036 120.538 118.700 -0.330 0.000 2.244 169 N HA -0.176 4.563 4.740 -0.000 0.000 0.183 169 N C -0.142 174.917 175.510 -0.752 0.000 1.016 169 N CA 0.859 53.645 53.050 -0.440 0.000 0.866 169 N CB -1.054 37.058 38.487 -0.625 0.000 0.980 169 N HN 0.120 nan 8.380 nan 0.000 0.430 170 F N -0.346 119.497 119.950 -0.179 0.000 2.794 170 F HA 0.406 4.933 4.527 -0.000 0.000 0.353 170 F C -1.855 173.834 175.800 -0.184 0.000 1.371 170 F CA -1.957 55.915 58.000 -0.213 0.000 1.173 170 F CB 2.184 40.973 39.000 -0.352 0.000 1.693 170 F HN -0.186 nan 8.300 nan 0.000 0.606 171 P HA -0.212 nan 4.420 nan 0.000 0.215 171 P C 1.862 179.161 177.300 -0.002 0.000 1.163 171 P CA 1.690 64.802 63.100 0.019 0.000 0.894 171 P CB 0.433 32.156 31.700 0.038 0.000 0.791 172 L N -2.047 119.176 121.223 -0.000 0.000 2.044 172 L HA -0.135 4.205 4.340 -0.000 0.000 0.205 172 L C 2.422 179.250 176.870 -0.069 0.000 1.075 172 L CA 0.911 55.745 54.840 -0.010 0.000 0.747 172 L CB -0.962 41.104 42.059 0.012 0.000 0.903 172 L HN -0.023 nan 8.230 nan 0.000 0.435 173 L N -0.551 120.587 121.223 -0.141 0.000 2.017 173 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 173 L C 2.523 179.078 176.870 -0.526 0.000 1.073 173 L CA 1.830 56.448 54.840 -0.369 0.000 0.745 173 L CB -0.466 41.242 42.059 -0.586 0.000 0.894 173 L HN 0.177 nan 8.230 nan 0.000 0.432 174 M N -1.099 118.254 119.600 -0.411 0.000 2.149 174 M HA -0.259 4.221 4.480 -0.000 0.000 0.261 174 M C 2.246 178.500 176.300 -0.077 0.000 1.064 174 M CA 1.647 56.780 55.300 -0.279 0.000 1.102 174 M CB -1.118 31.388 32.600 -0.158 0.000 1.369 174 M HN 0.511 nan 8.290 nan 0.000 0.408 175 Q N 0.055 119.818 119.800 -0.061 0.000 2.050 175 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 175 Q C 2.055 178.064 176.000 0.014 0.000 0.980 175 Q CA 1.908 57.702 55.803 -0.015 0.000 0.840 175 Q CB -0.004 28.725 28.738 -0.015 0.000 0.898 175 Q HN 0.492 nan 8.270 nan 0.000 0.424 176 A N -0.009 122.828 122.820 0.028 0.000 1.902 176 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 176 A C 1.525 179.261 177.584 0.255 0.000 1.181 176 A CA 1.167 53.275 52.037 0.118 0.000 0.623 176 A CB -1.059 18.024 19.000 0.140 0.000 0.818 176 A HN 0.618 nan 8.150 nan 0.000 0.443 177 W N 0.397 121.705 121.300 0.013 0.000 2.421 177 W HA -0.023 4.636 4.660 -0.000 0.000 0.270 177 W C 1.955 178.451 176.519 -0.039 0.000 1.233 177 W CA 1.178 58.538 57.345 0.026 0.000 1.226 177 W CB -0.178 29.293 29.460 0.018 0.000 1.121 177 W HN 0.257 nan 8.180 nan 0.000 0.579 178 K N -0.462 120.037 120.400 0.164 0.000 2.141 178 K HA 0.124 4.444 4.320 -0.000 0.000 0.202 178 K C 2.056 178.569 176.600 -0.146 0.000 1.045 178 K CA 0.554 56.861 56.287 0.034 0.000 0.971 178 K CB -0.881 31.660 32.500 0.068 0.000 0.795 178 K HN 0.195 nan 8.250 nan 0.000 0.459 179 L N 0.523 121.685 121.223 -0.102 0.000 2.093 179 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 179 L C 2.446 179.206 176.870 -0.183 0.000 1.085 179 L CA 1.292 56.038 54.840 -0.156 0.000 0.755 179 L CB -1.031 40.954 42.059 -0.124 0.000 0.904 179 L HN 0.256 nan 8.230 nan 0.000 0.435 180 G N 1.412 110.127 108.800 -0.141 0.000 2.628 180 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 180 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 180 G C -0.493 174.060 174.900 -0.579 0.000 1.240 180 G CA 1.142 46.138 45.100 -0.174 0.000 0.792 180 G HN 0.311 nan 8.290 nan 0.000 0.593 181 P HA -0.000 nan 4.420 nan 0.000 0.217 181 P C 2.055 178.950 177.300 -0.676 0.000 1.151 181 P CA 1.970 64.494 63.100 -0.960 0.000 0.828 181 P CB -0.157 31.049 31.700 -0.824 0.000 0.788 182 A N 0.483 122.751 122.820 -0.920 0.000 1.883 182 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 182 A C 2.458 179.925 177.584 -0.194 0.000 1.186 182 A CA 1.541 53.093 52.037 -0.808 0.000 0.624 182 A CB -1.584 16.987 19.000 -0.715 0.000 0.822 182 A HN 0.132 nan 8.150 nan 0.000 0.444 183 L N -1.150 120.031 121.223 -0.070 0.000 2.131 183 L HA -0.067 4.273 4.340 -0.000 0.000 0.206 183 L C 3.057 180.109 176.870 0.303 0.000 1.087 183 L CA 0.793 55.791 54.840 0.263 0.000 0.767 183 L CB -0.559 41.649 42.059 0.249 0.000 0.917 183 L HN 0.421 nan 8.230 nan 0.000 0.441 184 A N 0.382 123.288 122.820 0.142 0.000 1.940 184 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 184 A C 2.263 179.912 177.584 0.109 0.000 1.176 184 A CA 2.228 54.358 52.037 0.155 0.000 0.631 184 A CB -0.877 18.244 19.000 0.201 0.000 0.814 184 A HN 0.512 nan 8.150 nan 0.000 0.446 185 T N -4.257 110.339 114.554 0.070 0.000 3.129 185 T HA 0.404 4.754 4.350 -0.000 0.000 0.251 185 T C 1.274 176.049 174.700 0.124 0.000 1.117 185 T CA 0.987 63.144 62.100 0.094 0.000 1.034 185 T CB 0.012 68.931 68.868 0.084 0.000 0.968 185 T HN 1.707 nan 8.240 nan 0.000 0.526 186 G N 1.457 110.343 108.800 0.144 0.000 2.136 186 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.242 186 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.242 186 G C -0.051 175.156 174.900 0.512 0.000 0.989 186 G CA -0.224 44.945 45.100 0.114 0.000 0.682 186 G HN 0.589 nan 8.290 nan 0.000 0.522 187 N N -0.692 118.296 118.700 0.479 0.000 2.405 187 N HA 0.624 5.364 4.740 -0.000 0.000 0.269 187 N C 0.456 176.213 175.510 0.412 0.000 1.249 187 N CA 0.418 53.686 53.050 0.363 0.000 0.974 187 N CB 1.824 40.403 38.487 0.154 0.000 1.204 187 N HN 0.676 nan 8.380 nan 0.000 0.565 188 V N -2.079 117.915 119.914 0.134 0.000 2.815 188 V HA 0.735 4.855 4.120 -0.000 0.000 0.314 188 V C -0.183 175.886 176.094 -0.043 0.000 1.064 188 V CA -0.727 61.590 62.300 0.028 0.000 0.952 188 V CB 1.665 33.521 31.823 0.055 0.000 1.020 188 V HN 0.248 nan 8.190 nan 0.000 0.439 189 V N 2.698 122.566 119.914 -0.078 0.000 2.735 189 V HA 0.598 4.718 4.120 -0.000 0.000 0.310 189 V C -0.563 175.499 176.094 -0.054 0.000 1.061 189 V CA -0.539 61.724 62.300 -0.061 0.000 0.913 189 V CB 2.246 34.021 31.823 -0.081 0.000 1.005 189 V HN 0.797 nan 8.190 nan 0.000 0.428 190 V N 5.216 125.110 119.914 -0.033 0.000 2.325 190 V HA 0.441 4.561 4.120 -0.000 0.000 0.280 190 V C -0.175 175.921 176.094 0.004 0.000 1.016 190 V CA -0.213 62.073 62.300 -0.024 0.000 0.818 190 V CB 1.314 33.109 31.823 -0.046 0.000 1.019 190 V HN 0.889 nan 8.190 nan 0.000 0.434 191 M N 4.946 124.554 119.600 0.013 0.000 2.300 191 M HA 0.566 5.046 4.480 -0.000 0.000 0.348 191 M C -0.544 175.786 176.300 0.050 0.000 1.151 191 M CA -0.477 54.840 55.300 0.029 0.000 1.046 191 M CB 1.185 33.791 32.600 0.011 0.000 1.647 191 M HN 0.346 nan 8.290 nan 0.000 0.451 192 K N 5.490 125.928 120.400 0.063 0.000 2.389 192 K HA 0.386 4.705 4.320 -0.000 0.000 0.261 192 K C -1.285 175.362 176.600 0.079 0.000 1.014 192 K CA -0.381 55.951 56.287 0.075 0.000 0.920 192 K CB 0.729 33.280 32.500 0.085 0.000 1.149 192 K HN 0.676 nan 8.250 nan 0.000 0.444 193 V N 0.942 120.905 119.914 0.082 0.000 2.904 193 V HA 0.633 4.753 4.120 -0.000 0.000 0.305 193 V C 0.563 176.719 176.094 0.103 0.000 1.067 193 V CA -1.239 61.114 62.300 0.088 0.000 1.044 193 V CB 1.028 32.910 31.823 0.097 0.000 1.050 193 V HN 0.703 nan 8.190 nan 0.000 0.475 194 A N 2.676 125.572 122.820 0.126 0.000 2.511 194 A HA 0.252 4.572 4.320 -0.000 0.000 0.242 194 A C 1.367 179.044 177.584 0.154 0.000 1.069 194 A CA 0.279 52.419 52.037 0.173 0.000 0.763 194 A CB 0.014 19.188 19.000 0.289 0.000 1.001 194 A HN 1.106 nan 8.150 nan 0.000 0.498 195 E N 2.286 122.536 120.200 0.083 0.000 2.204 195 E HA -0.274 4.076 4.350 -0.000 0.000 0.195 195 E C 1.098 177.818 176.600 0.199 0.000 0.990 195 E CA 1.755 58.156 56.400 0.001 0.000 0.821 195 E CB -0.302 29.223 29.700 -0.293 0.000 0.750 195 E HN 0.848 nan 8.360 nan 0.000 0.477 196 Q N 0.740 120.619 119.800 0.133 0.000 2.245 196 Q HA 0.003 4.343 4.340 -0.000 0.000 0.201 196 Q C 0.718 176.767 176.000 0.082 0.000 0.955 196 Q CA 1.656 57.489 55.803 0.050 0.000 0.870 196 Q CB 0.375 29.011 28.738 -0.170 0.000 0.945 196 Q HN 0.454 nan 8.270 nan 0.000 0.461 197 T N -3.431 111.209 114.554 0.144 0.000 3.734 197 T HA 0.284 4.634 4.350 -0.000 0.000 0.238 197 T C -2.457 172.315 174.700 0.120 0.000 1.205 197 T CA -1.266 60.904 62.100 0.117 0.000 1.606 197 T CB 1.084 70.031 68.868 0.133 0.000 0.832 197 T HN -0.043 nan 8.240 nan 0.000 0.655 198 P HA 0.203 nan 4.420 nan 0.000 0.234 198 P C 1.649 179.008 177.300 0.098 0.000 1.175 198 P CA -0.114 63.064 63.100 0.131 0.000 0.801 198 P CB 0.354 32.165 31.700 0.185 0.000 0.891 199 L N 0.622 121.884 121.223 0.066 0.000 1.956 199 L HA -0.189 4.151 4.340 -0.000 0.000 0.216 199 L C 2.825 179.760 176.870 0.109 0.000 1.073 199 L CA 2.934 57.811 54.840 0.062 0.000 0.762 199 L CB -2.273 39.797 42.059 0.017 0.000 0.889 199 L HN 0.102 nan 8.230 nan 0.000 0.433 200 T N -1.887 112.719 114.554 0.087 0.000 2.720 200 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 200 T C 1.970 176.762 174.700 0.153 0.000 1.037 200 T CA 1.095 63.268 62.100 0.122 0.000 1.144 200 T CB -0.599 68.308 68.868 0.065 0.000 0.864 200 T HN 0.357 nan 8.240 nan 0.000 0.444 201 A N 1.849 124.731 122.820 0.104 0.000 1.908 201 A HA 0.087 4.407 4.320 -0.000 0.000 0.218 201 A C 2.481 180.112 177.584 0.079 0.000 1.181 201 A CA 1.546 53.627 52.037 0.073 0.000 0.627 201 A CB -0.960 18.076 19.000 0.059 0.000 0.818 201 A HN 0.566 nan 8.150 nan 0.000 0.445 202 L N -2.394 118.915 121.223 0.143 0.000 2.093 202 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 202 L C 2.577 179.587 176.870 0.234 0.000 1.085 202 L CA 1.548 56.524 54.840 0.226 0.000 0.755 202 L CB -0.627 41.583 42.059 0.251 0.000 0.904 202 L HN 0.568 nan 8.230 nan 0.000 0.435 203 Y N 0.439 120.810 120.300 0.117 0.000 2.181 203 Y HA -0.204 4.346 4.550 -0.000 0.000 0.288 203 Y C 2.404 178.354 175.900 0.083 0.000 1.146 203 Y CA 1.388 59.570 58.100 0.136 0.000 1.164 203 Y CB -0.257 38.338 38.460 0.225 0.000 0.982 203 Y HN -0.171 nan 8.280 nan 0.000 0.515 204 V N 0.443 120.379 119.914 0.036 0.000 2.469 204 V HA -0.340 3.780 4.120 -0.000 0.000 0.251 204 V C 2.643 178.587 176.094 -0.250 0.000 1.064 204 V CA 1.663 63.912 62.300 -0.084 0.000 1.066 204 V CB -1.558 30.262 31.823 -0.006 0.000 0.667 204 V HN 0.571 nan 8.190 nan 0.000 0.461 205 A N 0.229 122.846 122.820 -0.338 0.000 1.978 205 A HA -0.285 4.035 4.320 -0.000 0.000 0.220 205 A C 2.058 179.179 177.584 -0.772 0.000 1.170 205 A CA 2.294 53.831 52.037 -0.832 0.000 0.636 205 A CB -0.767 17.427 19.000 -1.345 0.000 0.810 205 A HN 0.595 nan 8.150 nan 0.000 0.448 206 N N -0.174 118.337 118.700 -0.315 0.000 2.188 206 N HA -0.025 4.715 4.740 -0.000 0.000 0.184 206 N C 1.511 176.914 175.510 -0.178 0.000 1.018 206 N CA 1.177 54.168 53.050 -0.098 0.000 0.858 206 N CB -0.284 38.130 38.487 -0.123 0.000 0.989 206 N HN 0.487 nan 8.380 nan 0.000 0.426 207 L N -0.153 120.901 121.223 -0.282 0.000 2.156 207 L HA -0.022 4.318 4.340 -0.000 0.000 0.208 207 L C 1.910 178.754 176.870 -0.045 0.000 1.095 207 L CA 0.606 55.350 54.840 -0.160 0.000 0.770 207 L CB -0.311 41.663 42.059 -0.143 0.000 0.914 207 L HN 0.221 nan 8.230 nan 0.000 0.439 208 I N 0.147 120.658 120.570 -0.098 0.000 2.286 208 I HA -0.303 3.867 4.170 -0.000 0.000 0.248 208 I C 2.725 178.926 176.117 0.140 0.000 1.115 208 I CA 1.304 62.587 61.300 -0.029 0.000 1.392 208 I CB -0.209 37.626 38.000 -0.275 0.000 1.065 208 I HN 0.255 nan 8.210 nan 0.000 0.418 209 K N 1.161 121.623 120.400 0.103 0.000 2.025 209 K HA -0.242 4.077 4.320 -0.000 0.000 0.207 209 K C 2.100 178.770 176.600 0.116 0.000 1.049 209 K CA 1.611 57.998 56.287 0.167 0.000 0.933 209 K CB -0.084 32.546 32.500 0.216 0.000 0.714 209 K HN 0.243 nan 8.250 nan 0.000 0.438 210 E N -0.063 120.180 120.200 0.073 0.000 2.153 210 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 210 E C 1.598 178.238 176.600 0.066 0.000 0.988 210 E CA 0.960 57.391 56.400 0.051 0.000 0.811 210 E CB -0.081 29.625 29.700 0.011 0.000 0.746 210 E HN 0.442 nan 8.360 nan 0.000 0.466 211 A N -0.034 122.850 122.820 0.107 0.000 2.067 211 A HA 0.084 4.404 4.320 -0.000 0.000 0.219 211 A C 1.897 179.509 177.584 0.046 0.000 1.158 211 A CA 1.378 53.479 52.037 0.107 0.000 0.661 211 A CB -0.382 18.749 19.000 0.217 0.000 0.801 211 A HN 0.531 nan 8.150 nan 0.000 0.452 212 G N -2.890 105.965 108.800 0.092 0.000 2.192 212 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.193 212 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.193 212 G C 0.014 174.941 174.900 0.045 0.000 0.999 212 G CA -0.216 44.910 45.100 0.044 0.000 0.659 212 G HN 0.272 nan 8.290 nan 0.000 0.503 213 F N 2.033 121.989 119.950 0.010 0.000 2.572 213 F HA 0.388 4.915 4.527 -0.000 0.000 0.370 213 F C -1.073 174.693 175.800 -0.056 0.000 1.103 213 F CA -1.046 56.923 58.000 -0.050 0.000 1.286 213 F CB 0.408 39.317 39.000 -0.152 0.000 1.105 213 F HN -0.077 nan 8.300 nan 0.000 0.583 214 P HA 0.058 nan 4.420 nan 0.000 0.268 214 P C -2.558 174.738 177.300 -0.006 0.000 1.208 214 P CA -0.890 62.252 63.100 0.071 0.000 0.777 214 P CB 0.054 31.828 31.700 0.124 0.000 0.875 215 P HA 0.058 nan 4.420 nan 0.000 0.264 215 P C 0.989 178.232 177.300 -0.094 0.000 1.193 215 P CA 1.392 64.442 63.100 -0.084 0.000 0.763 215 P CB 0.082 31.740 31.700 -0.069 0.000 0.810 216 G N 1.522 110.236 108.800 -0.142 0.000 2.241 216 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.244 216 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.244 216 G C 1.049 175.866 174.900 -0.137 0.000 0.998 216 G CA 0.242 45.272 45.100 -0.117 0.000 0.621 216 G HN 0.396 nan 8.290 nan 0.000 0.519 217 V N -0.050 119.732 119.914 -0.220 0.000 2.427 217 V HA 0.101 4.221 4.120 -0.000 0.000 0.248 217 V C 1.362 177.271 176.094 -0.309 0.000 1.051 217 V CA 1.958 64.018 62.300 -0.401 0.000 1.048 217 V CB 0.134 31.475 31.823 -0.803 0.000 0.666 217 V HN 0.414 nan 8.190 nan 0.000 0.456 218 V N 1.448 121.232 119.914 -0.216 0.000 2.525 218 V HA 0.470 4.590 4.120 -0.000 0.000 0.299 218 V C -0.876 175.234 176.094 0.027 0.000 1.034 218 V CA -0.773 61.443 62.300 -0.140 0.000 0.863 218 V CB 1.870 33.554 31.823 -0.232 0.000 0.999 218 V HN 0.423 nan 8.190 nan 0.000 0.423 219 N N 5.516 124.226 118.700 0.018 0.000 2.346 219 N HA 0.616 5.355 4.740 -0.000 0.000 0.289 219 N C -1.219 174.341 175.510 0.083 0.000 1.027 219 N CA -0.393 52.703 53.050 0.077 0.000 0.864 219 N CB 2.987 41.463 38.487 -0.019 0.000 1.370 219 N HN 0.491 nan 8.380 nan 0.000 0.481 220 I N 1.568 122.228 120.570 0.151 0.000 2.378 220 I HA 0.340 4.510 4.170 -0.000 0.000 0.291 220 I C -0.300 175.895 176.117 0.131 0.000 0.992 220 I CA -0.982 60.380 61.300 0.102 0.000 1.154 220 I CB 2.013 40.054 38.000 0.068 0.000 1.315 220 I HN 0.044 nan 8.210 nan 0.000 0.448 221 V N 8.169 128.146 119.914 0.106 0.000 2.284 221 V HA 0.303 4.423 4.120 -0.000 0.000 0.274 221 V C -2.092 174.072 176.094 0.117 0.000 1.023 221 V CA -1.531 60.837 62.300 0.114 0.000 0.808 221 V CB 1.259 33.131 31.823 0.081 0.000 1.035 221 V HN 0.576 nan 8.190 nan 0.000 0.445 222 P HA 0.595 nan 4.420 nan 0.000 0.274 222 P C 0.141 177.510 177.300 0.115 0.000 1.231 222 P CA 0.403 63.608 63.100 0.176 0.000 0.790 222 P CB 2.132 33.992 31.700 0.267 0.000 0.951 223 G N 0.609 109.353 108.800 -0.095 0.000 2.343 223 G HA2 0.282 4.242 3.960 -0.000 0.000 0.289 223 G HA3 0.282 4.242 3.960 -0.000 0.000 0.289 223 G C -1.539 173.010 174.900 -0.585 0.000 1.295 223 G CA -0.881 43.961 45.100 -0.429 0.000 0.869 223 G HN 0.273 nan 8.290 nan 0.000 0.522 224 F N 0.476 120.285 119.950 -0.236 0.000 2.368 224 F HA 0.512 5.039 4.527 -0.000 0.000 0.315 224 F C 1.895 177.658 175.800 -0.062 0.000 1.145 224 F CA 0.490 58.383 58.000 -0.177 0.000 1.095 224 F CB 1.325 40.224 39.000 -0.169 0.000 1.286 224 F HN 0.645 nan 8.300 nan 0.000 0.530 225 G N 0.420 109.339 108.800 0.199 0.000 2.434 225 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.214 225 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.214 225 G C -1.005 173.946 174.900 0.085 0.000 1.202 225 G CA 0.476 45.652 45.100 0.128 0.000 0.788 225 G HN 0.465 nan 8.290 nan 0.000 0.539 226 P HA -0.029 nan 4.420 nan 0.000 0.223 226 P C 1.776 179.100 177.300 0.041 0.000 1.144 226 P CA 1.982 65.098 63.100 0.028 0.000 0.783 226 P CB 0.018 31.718 31.700 -0.000 0.000 0.771 227 T N -3.752 110.849 114.554 0.078 0.000 3.395 227 T HA 0.272 4.622 4.350 -0.000 0.000 0.230 227 T C 1.956 176.699 174.700 0.072 0.000 0.958 227 T CA 0.585 62.733 62.100 0.079 0.000 1.377 227 T CB -1.144 67.795 68.868 0.119 0.000 1.124 227 T HN -0.101 nan 8.240 nan 0.000 0.425 228 A N 1.805 124.671 122.820 0.077 0.000 1.877 228 A HA 0.252 4.571 4.320 -0.000 0.000 0.216 228 A C 2.650 180.274 177.584 0.065 0.000 1.186 228 A CA 1.954 54.030 52.037 0.065 0.000 0.620 228 A CB -1.749 17.281 19.000 0.050 0.000 0.822 228 A HN 0.681 nan 8.150 nan 0.000 0.443 229 G N -0.518 108.325 108.800 0.071 0.000 2.421 229 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.216 229 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.216 229 G C 1.748 176.674 174.900 0.044 0.000 1.171 229 G CA 1.535 46.679 45.100 0.073 0.000 0.775 229 G HN 0.841 nan 8.290 nan 0.000 0.543 230 A N 1.024 123.862 122.820 0.031 0.000 1.972 230 A HA 0.308 4.628 4.320 -0.000 0.000 0.219 230 A C 2.784 180.386 177.584 0.030 0.000 1.169 230 A CA 2.087 54.130 52.037 0.010 0.000 0.635 230 A CB -0.651 18.351 19.000 0.003 0.000 0.810 230 A HN 0.768 nan 8.150 nan 0.000 0.446 231 A N 0.168 123.019 122.820 0.051 0.000 1.902 231 A HA -0.094 4.225 4.320 -0.000 0.000 0.217 231 A C 2.112 179.764 177.584 0.113 0.000 1.181 231 A CA 1.541 53.626 52.037 0.079 0.000 0.623 231 A CB -0.570 18.483 19.000 0.089 0.000 0.818 231 A HN 0.507 nan 8.150 nan 0.000 0.443 232 I N -0.345 120.275 120.570 0.084 0.000 2.163 232 I HA -0.256 3.914 4.170 -0.000 0.000 0.240 232 I C 2.949 179.111 176.117 0.075 0.000 1.081 232 I CA 1.137 62.481 61.300 0.074 0.000 1.353 232 I CB -0.434 37.597 38.000 0.053 0.000 1.054 232 I HN 0.347 nan 8.210 nan 0.000 0.407 233 A N -0.186 122.662 122.820 0.046 0.000 2.019 233 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 233 A C 2.327 179.927 177.584 0.026 0.000 1.164 233 A CA 1.948 53.998 52.037 0.021 0.000 0.644 233 A CB -0.419 18.567 19.000 -0.024 0.000 0.805 233 A HN 0.410 nan 8.150 nan 0.000 0.449 234 S N -1.250 114.474 115.700 0.039 0.000 2.535 234 S HA 0.086 4.556 4.470 -0.000 0.000 0.214 234 S C 0.628 175.248 174.600 0.034 0.000 0.980 234 S CA -0.565 57.648 58.200 0.021 0.000 0.907 234 S CB -0.214 62.986 63.200 -0.001 0.000 0.790 234 S HN 0.687 nan 8.310 nan 0.000 0.510 235 H N 2.713 121.780 119.070 -0.005 0.000 2.928 235 H HA 0.057 4.613 4.556 -0.000 0.000 0.338 235 H C 0.847 176.172 175.328 -0.004 0.000 1.047 235 H CA 0.648 56.695 56.048 -0.002 0.000 1.435 235 H CB 0.667 30.430 29.762 0.001 0.000 1.428 235 H HN 0.146 nan 8.280 nan 0.000 0.590 236 E N 3.005 123.141 120.200 -0.105 0.000 2.274 236 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 236 E C 0.776 177.457 176.600 0.134 0.000 0.996 236 E CA 0.755 57.155 56.400 0.000 0.000 0.840 236 E CB 0.206 29.857 29.700 -0.081 0.000 0.772 236 E HN 0.602 nan 8.360 nan 0.000 0.491 237 D N -0.334 120.300 120.400 0.389 0.000 2.395 237 D HA 0.039 4.679 4.640 -0.000 0.000 0.213 237 D C -0.577 175.786 176.300 0.104 0.000 1.110 237 D CA -0.013 54.126 54.000 0.232 0.000 0.835 237 D CB 0.631 41.569 40.800 0.229 0.000 0.965 237 D HN -0.201 nan 8.370 nan 0.000 0.505 238 V N 1.718 121.696 119.914 0.108 0.000 2.406 238 V HA 0.111 4.231 4.120 -0.000 0.000 0.272 238 V C 0.874 176.972 176.094 0.006 0.000 1.043 238 V CA -0.328 61.977 62.300 0.007 0.000 0.915 238 V CB 1.667 33.497 31.823 0.011 0.000 0.988 238 V HN 0.086 nan 8.190 nan 0.000 0.466 239 D N 3.379 123.761 120.400 -0.031 0.000 2.249 239 D HA 0.031 4.671 4.640 -0.000 0.000 0.205 239 D C 0.747 177.028 176.300 -0.033 0.000 0.962 239 D CA 0.896 54.877 54.000 -0.033 0.000 0.860 239 D CB 0.723 41.485 40.800 -0.064 0.000 0.955 239 D HN 0.460 nan 8.370 nan 0.000 0.505 240 K N 0.483 120.865 120.400 -0.031 0.000 2.542 240 K HA 0.357 4.676 4.320 -0.000 0.000 0.259 240 K C -2.085 174.511 176.600 -0.007 0.000 0.932 240 K CA -0.557 55.709 56.287 -0.035 0.000 0.820 240 K CB 3.129 35.587 32.500 -0.070 0.000 1.345 240 K HN -0.184 nan 8.250 nan 0.000 0.432 241 V N 2.646 122.558 119.914 -0.002 0.000 2.531 241 V HA 0.795 4.915 4.120 -0.000 0.000 0.301 241 V C -1.328 174.796 176.094 0.051 0.000 1.034 241 V CA -0.341 61.982 62.300 0.038 0.000 0.865 241 V CB 1.418 33.266 31.823 0.041 0.000 0.995 241 V HN 0.869 nan 8.190 nan 0.000 0.424 242 A N 6.850 129.726 122.820 0.094 0.000 2.287 242 A HA 0.832 5.152 4.320 -0.000 0.000 0.317 242 A C -1.202 176.497 177.584 0.191 0.000 1.220 242 A CA -0.443 51.661 52.037 0.110 0.000 0.835 242 A CB 0.792 19.866 19.000 0.122 0.000 1.180 242 A HN 1.145 nan 8.150 nan 0.000 0.500 243 F N 2.091 122.061 119.950 0.032 0.000 2.532 243 F HA 0.727 5.253 4.527 -0.000 0.000 0.321 243 F C -0.356 175.470 175.800 0.043 0.000 1.089 243 F CA -0.112 57.909 58.000 0.035 0.000 0.926 243 F CB 2.377 41.390 39.000 0.021 0.000 1.168 243 F HN 0.387 nan 8.300 nan 0.000 0.459 244 T N 4.478 118.438 114.554 -0.989 0.000 2.890 244 T HA 0.747 5.097 4.350 -0.000 0.000 0.295 244 T C -0.193 173.853 174.700 -1.090 0.000 0.993 244 T CA -0.266 61.398 62.100 -0.727 0.000 0.979 244 T CB 1.018 69.721 68.868 -0.274 0.000 0.967 244 T HN 1.124 nan 8.240 nan 0.000 0.441 245 G N 1.985 110.291 108.800 -0.824 0.000 2.441 245 G HA2 0.466 4.426 3.960 -0.000 0.000 0.225 245 G HA3 0.466 4.426 3.960 -0.000 0.000 0.225 245 G C -0.568 174.278 174.900 -0.090 0.000 1.200 245 G CA -0.239 44.582 45.100 -0.466 0.000 0.947 245 G HN 0.909 nan 8.290 nan 0.000 0.484 246 S N -0.343 115.406 115.700 0.081 0.000 2.579 246 S HA 0.412 4.882 4.470 -0.000 0.000 0.275 246 S C 1.250 175.973 174.600 0.206 0.000 1.345 246 S CA 1.057 59.309 58.200 0.086 0.000 1.031 246 S CB 1.330 64.571 63.200 0.069 0.000 0.892 246 S HN 0.747 nan 8.310 nan 0.000 0.529 247 T N 1.324 115.978 114.554 0.167 0.000 2.833 247 T HA -0.098 4.252 4.350 -0.000 0.000 0.269 247 T C 1.608 176.371 174.700 0.105 0.000 1.054 247 T CA 1.587 63.791 62.100 0.173 0.000 1.135 247 T CB -0.437 68.556 68.868 0.209 0.000 0.869 247 T HN 0.837 nan 8.240 nan 0.000 0.466 248 E N 0.444 120.696 120.200 0.087 0.000 2.038 248 E HA -0.146 4.204 4.350 -0.000 0.000 0.195 248 E C 1.956 178.555 176.600 -0.001 0.000 1.000 248 E CA 1.118 57.543 56.400 0.041 0.000 0.803 248 E CB -0.025 29.703 29.700 0.046 0.000 0.750 248 E HN 0.290 nan 8.360 nan 0.000 0.448 249 I N 0.558 121.131 120.570 0.005 0.000 2.439 249 I HA -0.091 4.079 4.170 -0.000 0.000 0.251 249 I C 2.500 178.404 176.117 -0.355 0.000 1.139 249 I CA 1.195 62.410 61.300 -0.143 0.000 1.438 249 I CB -1.605 36.345 38.000 -0.083 0.000 1.085 249 I HN 0.214 nan 8.210 nan 0.000 0.427 250 G N 1.248 109.951 108.800 -0.161 0.000 2.450 250 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.220 250 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.220 250 G C 1.864 176.694 174.900 -0.118 0.000 1.130 250 G CA 0.398 45.424 45.100 -0.124 0.000 0.760 250 G HN 0.366 nan 8.290 nan 0.000 0.557 251 R N -0.272 120.181 120.500 -0.079 0.000 2.093 251 R HA 0.084 4.424 4.340 -0.000 0.000 0.224 251 R C 2.578 178.822 176.300 -0.093 0.000 1.101 251 R CA 0.790 56.852 56.100 -0.063 0.000 0.979 251 R CB -0.461 29.817 30.300 -0.037 0.000 0.877 251 R HN 0.280 nan 8.270 nan 0.000 0.441 252 V N 1.755 121.592 119.914 -0.128 0.000 2.295 252 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 252 V C 2.352 178.357 176.094 -0.148 0.000 1.049 252 V CA 1.540 63.764 62.300 -0.128 0.000 1.024 252 V CB -0.425 31.314 31.823 -0.140 0.000 0.648 252 V HN 0.230 nan 8.190 nan 0.000 0.447 253 I N 0.020 120.450 120.570 -0.233 0.000 2.163 253 I HA -0.301 3.869 4.170 -0.000 0.000 0.243 253 I C 2.586 178.635 176.117 -0.113 0.000 1.085 253 I CA 2.100 63.272 61.300 -0.212 0.000 1.347 253 I CB -1.198 36.593 38.000 -0.349 0.000 1.044 253 I HN 0.423 nan 8.210 nan 0.000 0.408 254 Q N 0.757 120.500 119.800 -0.095 0.000 2.084 254 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 254 Q C 2.232 178.202 176.000 -0.049 0.000 0.978 254 Q CA 1.783 57.553 55.803 -0.056 0.000 0.844 254 Q CB -0.046 28.666 28.738 -0.042 0.000 0.898 254 Q HN 0.338 nan 8.270 nan 0.000 0.426 255 V N 0.485 120.365 119.914 -0.055 0.000 2.358 255 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 255 V C 2.266 178.335 176.094 -0.042 0.000 1.047 255 V CA 1.652 63.925 62.300 -0.045 0.000 1.035 255 V CB -1.139 30.657 31.823 -0.046 0.000 0.658 255 V HN 0.534 nan 8.190 nan 0.000 0.452 256 A N -0.047 122.743 122.820 -0.050 0.000 1.972 256 A HA -0.089 4.231 4.320 -0.000 0.000 0.219 256 A C 2.365 179.931 177.584 -0.030 0.000 1.169 256 A CA 2.010 54.023 52.037 -0.040 0.000 0.635 256 A CB -0.586 18.386 19.000 -0.047 0.000 0.810 256 A HN 0.564 nan 8.150 nan 0.000 0.446 257 A N -0.675 122.126 122.820 -0.031 0.000 1.897 257 A HA 0.230 4.549 4.320 -0.000 0.000 0.215 257 A C 2.337 179.909 177.584 -0.021 0.000 1.181 257 A CA 1.604 53.629 52.037 -0.022 0.000 0.620 257 A CB -1.133 17.853 19.000 -0.023 0.000 0.821 257 A HN 0.680 nan 8.150 nan 0.000 0.443 258 G N -1.036 107.749 108.800 -0.025 0.000 2.448 258 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.218 258 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.218 258 G C 1.586 176.473 174.900 -0.022 0.000 1.135 258 G CA 1.140 46.226 45.100 -0.023 0.000 0.784 258 G HN 0.474 nan 8.290 nan 0.000 0.543 259 S N 0.279 115.965 115.700 -0.023 0.000 2.496 259 S HA 0.011 4.481 4.470 -0.000 0.000 0.224 259 S C 2.385 176.972 174.600 -0.022 0.000 0.996 259 S CA 0.979 59.165 58.200 -0.023 0.000 0.927 259 S CB 0.069 63.254 63.200 -0.025 0.000 0.774 259 S HN 0.621 nan 8.310 nan 0.000 0.524 260 S N 3.256 118.944 115.700 -0.019 0.000 2.661 260 S HA 0.092 4.562 4.470 -0.000 0.000 0.162 260 S C 0.985 175.577 174.600 -0.013 0.000 0.788 260 S CA 0.275 58.464 58.200 -0.018 0.000 1.003 260 S CB -0.544 62.648 63.200 -0.013 0.000 0.713 260 S HN 0.479 nan 8.310 nan 0.000 0.519 261 N N 1.226 119.923 118.700 -0.005 0.000 2.235 261 N HA 0.270 5.010 4.740 -0.000 0.000 0.231 261 N C 0.137 175.645 175.510 -0.004 0.000 1.177 261 N CA -0.114 52.935 53.050 -0.001 0.000 0.874 261 N CB -0.461 38.032 38.487 0.010 0.000 1.097 261 N HN 0.624 nan 8.380 nan 0.000 0.518 262 L N -0.368 120.849 121.223 -0.009 0.000 3.843 262 L HA -0.302 4.038 4.340 -0.000 0.000 0.411 262 L C 0.046 176.907 176.870 -0.014 0.000 1.205 262 L CA 0.689 55.521 54.840 -0.013 0.000 0.945 262 L CB -1.724 40.328 42.059 -0.013 0.000 1.929 262 L HN 0.461 nan 8.230 nan 0.000 0.934 263 K N 0.390 120.784 120.400 -0.010 0.000 2.336 263 K HA 0.393 4.713 4.320 -0.000 0.000 0.262 263 K C 0.331 176.916 176.600 -0.025 0.000 0.992 263 K CA -0.498 55.781 56.287 -0.013 0.000 0.927 263 K CB 0.503 33.000 32.500 -0.004 0.000 0.956 263 K HN 0.136 nan 8.250 nan 0.000 0.495 264 R N 0.743 121.221 120.500 -0.037 0.000 2.594 264 R HA 0.244 4.584 4.340 -0.000 0.000 0.272 264 R C -0.704 175.566 176.300 -0.050 0.000 1.074 264 R CA -0.561 55.508 56.100 -0.052 0.000 1.105 264 R CB 0.968 31.221 30.300 -0.077 0.000 1.008 264 R HN 0.388 nan 8.270 nan 0.000 0.472 265 V N 1.603 121.490 119.914 -0.046 0.000 2.577 265 V HA 0.364 4.484 4.120 -0.000 0.000 0.303 265 V C -0.341 175.736 176.094 -0.028 0.000 1.042 265 V CA -0.862 61.421 62.300 -0.027 0.000 0.872 265 V CB 2.025 33.839 31.823 -0.014 0.000 0.998 265 V HN 0.980 nan 8.190 nan 0.000 0.423 266 T N 3.012 117.558 114.554 -0.013 0.000 2.824 266 T HA 0.843 5.193 4.350 -0.000 0.000 0.282 266 T C -0.956 173.783 174.700 0.065 0.000 0.993 266 T CA -0.627 61.469 62.100 -0.007 0.000 0.967 266 T CB 1.415 70.249 68.868 -0.056 0.000 0.960 266 T HN 0.364 nan 8.240 nan 0.000 0.441 267 L N 2.428 123.696 121.223 0.076 0.000 2.341 267 L HA 0.598 4.938 4.340 -0.000 0.000 0.278 267 L C 0.131 177.054 176.870 0.088 0.000 1.005 267 L CA -0.784 54.143 54.840 0.145 0.000 0.818 267 L CB 2.017 44.176 42.059 0.167 0.000 1.259 267 L HN 0.642 nan 8.230 nan 0.000 0.418 268 E N 4.832 125.073 120.200 0.069 0.000 2.546 268 E HA 0.373 4.723 4.350 -0.000 0.000 0.227 268 E C -0.964 175.644 176.600 0.013 0.000 1.009 268 E CA -0.326 56.092 56.400 0.031 0.000 0.813 268 E CB 0.719 30.449 29.700 0.050 0.000 1.269 268 E HN 0.489 nan 8.360 nan 0.000 0.432 269 L N 0.556 121.817 121.223 0.063 0.000 2.454 269 L HA 0.524 4.864 4.340 -0.000 0.000 0.256 269 L C 1.492 178.385 176.870 0.039 0.000 1.136 269 L CA -0.784 54.105 54.840 0.082 0.000 0.804 269 L CB 0.474 42.635 42.059 0.169 0.000 1.181 269 L HN 0.314 nan 8.230 nan 0.000 0.469 270 G N -0.900 107.883 108.800 -0.027 0.000 2.468 270 G HA2 0.523 4.483 3.960 -0.000 0.000 0.264 270 G HA3 0.523 4.483 3.960 -0.000 0.000 0.264 270 G C -0.196 174.476 174.900 -0.379 0.000 1.460 270 G CA 0.256 45.263 45.100 -0.154 0.000 1.060 270 G HN 0.908 nan 8.290 nan 0.000 0.543 271 G N -2.356 106.073 108.800 -0.619 0.000 2.550 271 G HA2 0.470 4.430 3.960 -0.000 0.000 0.293 271 G HA3 0.470 4.430 3.960 -0.000 0.000 0.293 271 G C -1.399 173.206 174.900 -0.492 0.000 1.402 271 G CA -0.478 44.181 45.100 -0.734 0.000 0.784 271 G HN 0.544 nan 8.290 nan 0.000 0.482 272 K N 0.656 120.984 120.400 -0.120 0.000 3.253 272 K HA 0.469 4.789 4.320 -0.000 0.000 0.174 272 K C 0.098 176.768 176.600 0.117 0.000 1.071 272 K CA -0.378 55.934 56.287 0.042 0.000 0.836 272 K CB 0.113 32.730 32.500 0.195 0.000 0.922 272 K HN 0.414 nan 8.250 nan 0.000 0.565 273 S N 3.763 119.537 115.700 0.124 0.000 2.596 273 S HA 0.073 4.543 4.470 -0.000 0.000 0.298 273 S C -2.287 172.451 174.600 0.230 0.000 1.255 273 S CA -0.449 57.872 58.200 0.201 0.000 1.083 273 S CB 0.145 63.521 63.200 0.294 0.000 0.837 273 S HN 0.378 nan 8.310 nan 0.000 0.499 274 P HA 0.188 nan 4.420 nan 0.000 0.285 274 P C -1.040 176.474 177.300 0.356 0.000 1.259 274 P CA -0.622 62.683 63.100 0.341 0.000 0.794 274 P CB 0.544 32.471 31.700 0.377 0.000 0.940 275 N N 3.701 122.597 118.700 0.327 0.000 2.564 275 N HA 0.311 5.051 4.740 -0.000 0.000 0.248 275 N C -0.644 175.047 175.510 0.301 0.000 0.986 275 N CA -0.622 52.627 53.050 0.331 0.000 0.921 275 N CB 0.453 39.027 38.487 0.146 0.000 1.136 275 N HN 0.312 nan 8.380 nan 0.000 0.509 276 I N 4.578 125.336 120.570 0.312 0.000 2.312 276 I HA 0.251 4.421 4.170 -0.000 0.000 0.291 276 I C -0.099 176.207 176.117 0.314 0.000 1.031 276 I CA -0.576 60.868 61.300 0.241 0.000 1.293 276 I CB 0.926 38.962 38.000 0.061 0.000 1.403 276 I HN 0.366 nan 8.210 nan 0.000 0.484 277 I N 7.128 127.865 120.570 0.279 0.000 2.330 277 I HA 0.313 4.483 4.170 -0.000 0.000 0.286 277 I C 0.195 176.491 176.117 0.298 0.000 1.025 277 I CA -0.535 60.899 61.300 0.223 0.000 1.197 277 I CB 0.927 38.849 38.000 -0.131 0.000 1.358 277 I HN 0.478 nan 8.210 nan 0.000 0.467 278 M N 3.705 123.494 119.600 0.315 0.000 2.228 278 M HA 0.144 4.624 4.480 -0.000 0.000 0.326 278 M C 1.736 178.127 176.300 0.151 0.000 1.122 278 M CA 0.000 55.459 55.300 0.264 0.000 1.161 278 M CB 0.729 33.474 32.600 0.242 0.000 1.437 278 M HN 0.677 nan 8.290 nan 0.000 0.465 279 S N 0.619 116.368 115.700 0.080 0.000 2.400 279 S HA -0.171 4.299 4.470 -0.000 0.000 0.232 279 S C 0.857 175.508 174.600 0.086 0.000 1.025 279 S CA 1.533 59.765 58.200 0.053 0.000 0.993 279 S CB -0.527 62.680 63.200 0.012 0.000 0.808 279 S HN 0.750 nan 8.310 nan 0.000 0.478 280 D N 1.930 122.390 120.400 0.100 0.000 2.328 280 D HA 0.361 5.001 4.640 -0.000 0.000 0.226 280 D C 0.673 177.054 176.300 0.135 0.000 1.066 280 D CA 0.305 54.365 54.000 0.101 0.000 0.861 280 D CB -0.448 40.401 40.800 0.082 0.000 0.912 280 D HN 0.559 nan 8.370 nan 0.000 0.521 281 A N 0.624 123.553 122.820 0.181 0.000 2.406 281 A HA 0.081 4.401 4.320 -0.000 0.000 0.243 281 A C 0.366 178.094 177.584 0.240 0.000 1.082 281 A CA -0.279 51.910 52.037 0.253 0.000 0.786 281 A CB 0.163 19.371 19.000 0.346 0.000 1.029 281 A HN 0.196 nan 8.150 nan 0.000 0.495 282 D N 1.932 122.506 120.400 0.290 0.000 2.344 282 D HA 0.106 4.746 4.640 -0.000 0.000 0.253 282 D C 1.097 177.575 176.300 0.297 0.000 1.255 282 D CA -0.228 53.927 54.000 0.258 0.000 0.894 282 D CB 0.490 41.447 40.800 0.262 0.000 1.067 282 D HN 0.486 nan 8.370 nan 0.000 0.492 283 M N 4.314 124.044 119.600 0.216 0.000 2.088 283 M HA -0.229 4.251 4.480 -0.000 0.000 0.256 283 M C 1.278 177.674 176.300 0.160 0.000 1.071 283 M CA 1.765 57.180 55.300 0.192 0.000 1.097 283 M CB -0.294 32.388 32.600 0.136 0.000 1.315 283 M HN 0.374 nan 8.290 nan 0.000 0.406 284 D N -1.143 119.349 120.400 0.152 0.000 2.116 284 D HA -0.266 4.374 4.640 -0.000 0.000 0.193 284 D C 1.883 178.295 176.300 0.187 0.000 0.998 284 D CA 1.696 55.773 54.000 0.129 0.000 0.836 284 D CB -0.631 40.250 40.800 0.134 0.000 0.951 284 D HN 0.664 nan 8.370 nan 0.000 0.449 285 W N 1.698 123.047 121.300 0.081 0.000 2.379 285 W HA -0.148 4.512 4.660 -0.000 0.000 0.307 285 W C 2.257 178.856 176.519 0.133 0.000 1.200 285 W CA 1.492 58.912 57.345 0.126 0.000 1.297 285 W CB -0.041 29.529 29.460 0.183 0.000 1.140 285 W HN -0.073 nan 8.180 nan 0.000 0.507 286 A N 0.309 123.242 122.820 0.189 0.000 1.902 286 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 286 A C 2.024 179.496 177.584 -0.187 0.000 1.181 286 A CA 2.206 54.146 52.037 -0.162 0.000 0.623 286 A CB -1.117 17.950 19.000 0.112 0.000 0.818 286 A HN 0.149 nan 8.150 nan 0.000 0.443 287 V N -0.194 119.657 119.914 -0.105 0.000 2.358 287 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 287 V C 2.568 178.522 176.094 -0.234 0.000 1.047 287 V CA 2.317 64.428 62.300 -0.316 0.000 1.035 287 V CB -0.654 30.932 31.823 -0.395 0.000 0.658 287 V HN 0.691 nan 8.190 nan 0.000 0.452 288 E N -0.089 119.986 120.200 -0.208 0.000 2.106 288 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 288 E C 2.284 178.767 176.600 -0.194 0.000 0.984 288 E CA 1.197 57.483 56.400 -0.190 0.000 0.806 288 E CB -0.161 29.419 29.700 -0.201 0.000 0.750 288 E HN 0.476 nan 8.360 nan 0.000 0.458 289 Q N -0.353 119.212 119.800 -0.393 0.000 2.083 289 Q HA 0.034 4.374 4.340 -0.000 0.000 0.198 289 Q C 2.141 178.022 176.000 -0.198 0.000 0.969 289 Q CA 1.388 56.985 55.803 -0.344 0.000 0.838 289 Q CB -0.472 27.990 28.738 -0.460 0.000 0.900 289 Q HN 0.378 nan 8.270 nan 0.000 0.436 290 A N 0.022 122.683 122.820 -0.265 0.000 2.015 290 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 290 A C 1.886 179.435 177.584 -0.060 0.000 1.163 290 A CA 1.838 53.772 52.037 -0.173 0.000 0.646 290 A CB -0.642 18.387 19.000 0.048 0.000 0.806 290 A HN 0.478 nan 8.150 nan 0.000 0.448 291 H N -1.897 117.144 119.070 -0.049 0.000 2.363 291 H HA -0.060 4.496 4.556 -0.000 0.000 0.301 291 H C 1.662 177.108 175.328 0.195 0.000 1.074 291 H CA 1.900 58.027 56.048 0.132 0.000 1.354 291 H CB -0.322 29.475 29.762 0.059 0.000 1.397 291 H HN 0.454 nan 8.280 nan 0.000 0.516 292 F N 0.833 120.808 119.950 0.042 0.000 2.146 292 F HA -0.084 4.443 4.527 -0.000 0.000 0.298 292 F C 2.472 178.221 175.800 -0.086 0.000 1.096 292 F CA 1.305 59.310 58.000 0.009 0.000 1.275 292 F CB -0.633 38.331 39.000 -0.059 0.000 1.008 292 F HN 0.278 nan 8.300 nan 0.000 0.480 293 A N 0.303 122.980 122.820 -0.237 0.000 1.948 293 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 293 A C 2.133 179.401 177.584 -0.528 0.000 1.177 293 A CA 2.178 53.819 52.037 -0.660 0.000 0.636 293 A CB -0.996 17.293 19.000 -1.185 0.000 0.815 293 A HN 0.604 nan 8.150 nan 0.000 0.449 294 L N -3.106 117.844 121.223 -0.455 0.000 2.347 294 L HA 0.287 4.627 4.340 -0.000 0.000 0.196 294 L C 2.017 178.546 176.870 -0.568 0.000 1.072 294 L CA 0.758 55.284 54.840 -0.523 0.000 0.817 294 L CB -0.039 41.616 42.059 -0.674 0.000 1.029 294 L HN 0.278 nan 8.230 nan 0.000 0.478 295 F N -0.536 119.201 119.950 -0.355 0.000 2.502 295 F HA -0.036 4.491 4.527 -0.000 0.000 0.298 295 F C 1.017 176.663 175.800 -0.256 0.000 1.111 295 F CA 0.145 57.949 58.000 -0.327 0.000 1.445 295 F CB -0.473 38.241 39.000 -0.477 0.000 1.081 295 F HN -0.051 nan 8.300 nan 0.000 0.558 296 F N 2.140 121.885 119.950 -0.341 0.000 2.629 296 F HA -0.084 4.443 4.527 -0.000 0.000 0.377 296 F C 1.226 176.889 175.800 -0.228 0.000 1.101 296 F CA -0.029 57.740 58.000 -0.384 0.000 1.301 296 F CB 0.075 38.571 39.000 -0.840 0.000 1.062 296 F HN 0.112 nan 8.300 nan 0.000 0.583 297 N N 3.486 121.580 118.700 -1.010 0.000 2.727 297 N HA -0.308 4.432 4.740 -0.000 0.000 0.249 297 N C -0.025 175.201 175.510 -0.474 0.000 1.048 297 N CA 1.384 53.930 53.050 -0.840 0.000 0.714 297 N CB -0.937 36.918 38.487 -1.054 0.000 0.959 297 N HN 0.781 nan 8.380 nan 0.000 0.544 298 Q N -2.385 117.242 119.800 -0.289 0.000 2.481 298 Q HA -0.185 4.155 4.340 -0.000 0.000 0.258 298 Q C 1.234 177.122 176.000 -0.186 0.000 0.961 298 Q CA 2.180 57.887 55.803 -0.160 0.000 1.121 298 Q CB -1.798 26.852 28.738 -0.147 0.000 1.503 298 Q HN 1.168 nan 8.270 nan 0.000 0.544 299 G N -1.096 107.543 108.800 -0.268 0.000 2.184 299 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.264 299 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.264 299 G C 0.135 174.719 174.900 -0.526 0.000 0.975 299 G CA 0.397 45.298 45.100 -0.332 0.000 0.642 299 G HN 0.447 nan 8.290 nan 0.000 0.536 300 Q N 0.077 119.510 119.800 -0.612 0.000 3.184 300 Q HA 0.476 4.816 4.340 -0.000 0.000 0.288 300 Q C -0.077 175.286 176.000 -1.061 0.000 1.412 300 Q CA 0.052 55.195 55.803 -1.099 0.000 0.991 300 Q CB 0.464 28.950 28.738 -0.421 0.000 1.688 300 Q HN 0.383 nan 8.270 nan 0.000 0.554 301 C N 0.231 118.963 119.300 -0.947 0.000 2.481 301 C HA 0.287 4.747 4.460 -0.000 0.000 0.324 301 C C 1.954 176.953 174.990 0.014 0.000 1.170 301 C CA -0.816 58.079 59.018 -0.205 0.000 1.361 301 C CB 0.205 27.988 27.740 0.071 0.000 1.977 301 C HN 0.987 nan 8.230 nan 0.000 0.459 302 C N 1.826 121.307 119.300 0.302 0.000 2.413 302 C HA -0.078 4.382 4.460 -0.000 0.000 0.277 302 C C 1.875 177.057 174.990 0.320 0.000 1.265 302 C CA 1.581 60.833 59.018 0.389 0.000 1.752 302 C CB -2.370 25.575 27.740 0.341 0.000 1.998 302 C HN 1.021 nan 8.230 nan 0.000 0.489 303 C N 1.150 120.697 119.300 0.411 0.000 2.470 303 C HA 0.768 5.227 4.460 -0.000 0.000 0.311 303 C C 1.198 176.461 174.990 0.454 0.000 1.387 303 C CA -0.874 58.416 59.018 0.454 0.000 1.783 303 C CB -2.446 25.709 27.740 0.693 0.000 2.416 303 C HN 0.761 nan 8.230 nan 0.000 0.558 304 A N 0.955 123.935 122.820 0.267 0.000 2.531 304 A HA 0.471 4.791 4.320 -0.000 0.000 0.236 304 A C 1.105 178.760 177.584 0.118 0.000 1.062 304 A CA 0.779 52.898 52.037 0.136 0.000 0.760 304 A CB -0.057 18.906 19.000 -0.062 0.000 0.995 304 A HN 1.205 nan 8.150 nan 0.000 0.501 305 G N 1.394 110.154 108.800 -0.066 0.000 2.985 305 G HA2 0.342 4.302 3.960 -0.000 0.000 0.282 305 G HA3 0.342 4.302 3.960 -0.000 0.000 0.282 305 G C 0.856 175.670 174.900 -0.144 0.000 0.791 305 G CA 0.381 45.416 45.100 -0.109 0.000 1.934 305 G HN 1.124 nan 8.290 nan 0.000 0.563 306 S N 0.796 116.450 115.700 -0.078 0.000 2.603 306 S HA 0.167 4.637 4.470 -0.000 0.000 0.220 306 S C 0.965 175.493 174.600 -0.121 0.000 0.967 306 S CA -0.239 57.889 58.200 -0.120 0.000 0.920 306 S CB 0.384 63.523 63.200 -0.103 0.000 0.773 306 S HN 0.426 nan 8.310 nan 0.000 0.529 307 R N 1.771 122.202 120.500 -0.114 0.000 2.607 307 R HA 0.259 4.599 4.340 -0.000 0.000 0.278 307 R C -1.256 174.870 176.300 -0.290 0.000 1.637 307 R CA -0.095 55.850 56.100 -0.259 0.000 1.325 307 R CB 1.258 31.430 30.300 -0.213 0.000 1.211 307 R HN 0.151 nan 8.270 nan 0.000 0.565 308 T N 3.592 117.993 114.554 -0.254 0.000 2.782 308 T HA 0.271 4.621 4.350 -0.000 0.000 0.298 308 T C -0.069 174.532 174.700 -0.165 0.000 0.944 308 T CA -0.033 61.987 62.100 -0.134 0.000 1.001 308 T CB -0.120 68.724 68.868 -0.040 0.000 0.932 308 T HN 0.165 nan 8.240 nan 0.000 0.524 309 F N 2.521 122.489 119.950 0.031 0.000 2.424 309 F HA 0.440 4.967 4.527 -0.000 0.000 0.356 309 F C 0.362 176.298 175.800 0.228 0.000 1.110 309 F CA -0.769 57.304 58.000 0.121 0.000 1.161 309 F CB 0.870 39.829 39.000 -0.068 0.000 1.115 309 F HN 0.186 nan 8.300 nan 0.000 0.507 310 V N 3.807 123.991 119.914 0.450 0.000 2.487 310 V HA 0.250 4.370 4.120 -0.000 0.000 0.298 310 V C -0.139 175.984 176.094 0.048 0.000 1.028 310 V CA -1.126 61.262 62.300 0.147 0.000 0.860 310 V CB 1.537 33.220 31.823 -0.233 0.000 0.991 310 V HN 0.677 nan 8.190 nan 0.000 0.427 311 Q N 2.522 122.110 119.800 -0.352 0.000 2.330 311 Q HA 0.027 4.367 4.340 -0.000 0.000 0.279 311 Q C 1.466 177.295 176.000 -0.284 0.000 1.024 311 Q CA 0.374 55.671 55.803 -0.843 0.000 0.900 311 Q CB 0.836 29.176 28.738 -0.662 0.000 1.221 311 Q HN 0.928 nan 8.270 nan 0.000 0.396 312 E N 2.596 122.637 120.200 -0.264 0.000 2.147 312 E HA -0.333 4.017 4.350 -0.000 0.000 0.199 312 E C 0.379 176.977 176.600 -0.005 0.000 1.005 312 E CA 1.799 58.149 56.400 -0.084 0.000 0.810 312 E CB -0.069 29.563 29.700 -0.113 0.000 0.736 312 E HN 0.663 nan 8.360 nan 0.000 0.460 313 D N 1.097 121.474 120.400 -0.039 0.000 2.182 313 D HA -0.128 4.512 4.640 -0.000 0.000 0.201 313 D C 2.081 178.409 176.300 0.046 0.000 0.986 313 D CA 1.625 55.627 54.000 0.003 0.000 0.847 313 D CB -0.111 40.682 40.800 -0.011 0.000 0.942 313 D HN 0.648 nan 8.370 nan 0.000 0.467 314 I N -3.495 117.109 120.570 0.056 0.000 4.082 314 I HA 0.155 4.325 4.170 -0.000 0.000 0.337 314 I C 1.888 178.094 176.117 0.148 0.000 1.352 314 I CA -0.503 60.855 61.300 0.097 0.000 1.097 314 I CB -0.097 37.958 38.000 0.092 0.000 1.048 314 I HN -0.236 nan 8.210 nan 0.000 0.393 315 Y N 3.098 123.416 120.300 0.031 0.000 2.014 315 Y HA -0.349 4.201 4.550 -0.000 0.000 0.272 315 Y C 2.157 178.133 175.900 0.127 0.000 1.164 315 Y CA 2.470 60.609 58.100 0.067 0.000 1.114 315 Y CB -0.247 38.228 38.460 0.025 0.000 0.961 315 Y HN 0.230 nan 8.280 nan 0.000 0.489 316 D N -0.030 120.549 120.400 0.298 0.000 2.116 316 D HA -0.240 4.400 4.640 -0.000 0.000 0.193 316 D C 2.112 178.456 176.300 0.073 0.000 0.998 316 D CA 1.854 55.967 54.000 0.188 0.000 0.836 316 D CB -0.523 40.385 40.800 0.180 0.000 0.951 316 D HN 0.630 nan 8.370 nan 0.000 0.449 317 E N -0.428 119.823 120.200 0.086 0.000 2.077 317 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 317 E C 2.125 178.749 176.600 0.039 0.000 0.989 317 E CA 0.477 56.911 56.400 0.056 0.000 0.800 317 E CB -0.196 29.545 29.700 0.070 0.000 0.746 317 E HN 0.201 nan 8.360 nan 0.000 0.452 318 F N 0.933 120.839 119.950 -0.073 0.000 2.046 318 F HA -0.248 4.278 4.527 -0.000 0.000 0.297 318 F C 2.160 177.873 175.800 -0.145 0.000 1.123 318 F CA 1.595 59.534 58.000 -0.102 0.000 1.199 318 F CB -0.419 38.515 39.000 -0.110 0.000 0.972 318 F HN -0.128 nan 8.300 nan 0.000 0.474 319 V N 0.571 120.475 119.914 -0.017 0.000 2.282 319 V HA -0.370 3.750 4.120 -0.000 0.000 0.249 319 V C 2.382 178.401 176.094 -0.125 0.000 1.057 319 V CA 2.388 64.614 62.300 -0.123 0.000 1.032 319 V CB -0.854 30.825 31.823 -0.239 0.000 0.645 319 V HN 0.469 nan 8.190 nan 0.000 0.447 320 E N 0.006 120.151 120.200 -0.092 0.000 2.038 320 E HA -0.265 4.085 4.350 -0.000 0.000 0.195 320 E C 2.490 179.018 176.600 -0.121 0.000 1.000 320 E CA 1.632 57.986 56.400 -0.076 0.000 0.803 320 E CB -0.075 29.600 29.700 -0.042 0.000 0.750 320 E HN 0.537 nan 8.360 nan 0.000 0.448 321 R N -0.078 120.319 120.500 -0.171 0.000 2.096 321 R HA -0.058 4.281 4.340 -0.000 0.000 0.235 321 R C 2.627 178.767 176.300 -0.267 0.000 1.127 321 R CA 1.390 57.363 56.100 -0.213 0.000 0.968 321 R CB -0.140 30.015 30.300 -0.241 0.000 0.861 321 R HN 0.069 nan 8.270 nan 0.000 0.440 322 S N 0.347 115.839 115.700 -0.346 0.000 2.368 322 S HA -0.099 4.371 4.470 -0.000 0.000 0.225 322 S C 2.118 176.642 174.600 -0.126 0.000 1.030 322 S CA 1.211 59.246 58.200 -0.275 0.000 0.999 322 S CB -0.151 62.868 63.200 -0.301 0.000 0.844 322 S HN 0.065 nan 8.310 nan 0.000 0.459 323 V N 2.080 121.928 119.914 -0.110 0.000 2.343 323 V HA -0.202 3.918 4.120 -0.000 0.000 0.247 323 V C 2.656 178.692 176.094 -0.098 0.000 1.051 323 V CA 1.724 63.979 62.300 -0.074 0.000 1.036 323 V CB -1.203 30.584 31.823 -0.060 0.000 0.654 323 V HN 0.545 nan 8.190 nan 0.000 0.451 324 A N 0.153 122.902 122.820 -0.117 0.000 1.933 324 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 324 A C 2.301 179.787 177.584 -0.162 0.000 1.175 324 A CA 2.068 54.032 52.037 -0.121 0.000 0.628 324 A CB -0.495 18.437 19.000 -0.114 0.000 0.814 324 A HN 0.454 nan 8.150 nan 0.000 0.444 325 R N 0.124 120.494 120.500 -0.217 0.000 2.092 325 R HA 0.052 4.392 4.340 -0.000 0.000 0.231 325 R C 2.122 178.212 176.300 -0.349 0.000 1.119 325 R CA 1.775 57.666 56.100 -0.348 0.000 0.970 325 R CB -0.815 29.189 30.300 -0.495 0.000 0.864 325 R HN 0.378 nan 8.270 nan 0.000 0.440 326 A N 0.690 123.386 122.820 -0.205 0.000 1.898 326 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 326 A C 1.951 179.424 177.584 -0.185 0.000 1.181 326 A CA 1.595 53.509 52.037 -0.205 0.000 0.620 326 A CB -0.382 18.541 19.000 -0.127 0.000 0.819 326 A HN 0.358 nan 8.150 nan 0.000 0.442 327 K N 0.409 120.727 120.400 -0.136 0.000 2.147 327 K HA -0.103 4.217 4.320 -0.000 0.000 0.205 327 K C 2.106 178.642 176.600 -0.107 0.000 1.049 327 K CA 1.523 57.747 56.287 -0.106 0.000 0.936 327 K CB -0.163 32.286 32.500 -0.086 0.000 0.722 327 K HN 0.657 nan 8.250 nan 0.000 0.446 328 S N 0.642 116.264 115.700 -0.130 0.000 2.562 328 S HA -0.029 4.441 4.470 -0.000 0.000 0.221 328 S C 0.857 175.389 174.600 -0.112 0.000 0.975 328 S CA -0.208 57.922 58.200 -0.116 0.000 0.918 328 S CB -0.086 63.037 63.200 -0.129 0.000 0.772 328 S HN 0.138 nan 8.310 nan 0.000 0.531 329 R N 2.084 122.505 120.500 -0.132 0.000 2.399 329 R HA 0.234 4.574 4.340 -0.000 0.000 0.324 329 R C -0.946 175.318 176.300 -0.060 0.000 1.030 329 R CA -0.190 55.852 56.100 -0.097 0.000 0.984 329 R CB 0.153 30.370 30.300 -0.139 0.000 0.961 329 R HN 0.166 nan 8.270 nan 0.000 0.433 330 V N 6.424 126.319 119.914 -0.031 0.000 2.446 330 V HA 0.049 4.169 4.120 -0.000 0.000 0.276 330 V C 0.231 176.330 176.094 0.008 0.000 1.030 330 V CA -0.087 62.204 62.300 -0.016 0.000 1.033 330 V CB 0.917 32.736 31.823 -0.007 0.000 0.993 330 V HN 0.451 nan 8.190 nan 0.000 0.477 331 V N 4.928 124.846 119.914 0.007 0.000 2.483 331 V HA 1.011 5.131 4.120 -0.000 0.000 0.295 331 V C 0.684 176.777 176.094 -0.003 0.000 1.035 331 V CA 0.557 62.893 62.300 0.060 0.000 0.896 331 V CB 1.044 32.921 31.823 0.090 0.000 0.986 331 V HN 1.136 nan 8.190 nan 0.000 0.447 332 G N 3.192 112.037 108.800 0.074 0.000 2.399 332 G HA2 0.105 4.065 3.960 -0.000 0.000 0.256 332 G HA3 0.105 4.065 3.960 -0.000 0.000 0.256 332 G C -1.010 173.983 174.900 0.155 0.000 1.236 332 G CA -0.754 44.299 45.100 -0.078 0.000 0.914 332 G HN 0.637 nan 8.290 nan 0.000 0.482 333 N N 2.259 120.997 118.700 0.063 0.000 2.434 333 N HA 0.178 4.918 4.740 -0.000 0.000 0.268 333 N C -0.573 175.008 175.510 0.118 0.000 1.256 333 N CA -1.150 51.982 53.050 0.136 0.000 0.914 333 N CB 1.491 40.033 38.487 0.093 0.000 1.088 333 N HN 0.164 nan 8.380 nan 0.000 0.478 334 P HA -0.137 nan 4.420 nan 0.000 0.222 334 P C 0.903 178.154 177.300 -0.080 0.000 1.147 334 P CA 1.217 64.279 63.100 -0.063 0.000 0.790 334 P CB -0.038 31.536 31.700 -0.210 0.000 0.780 335 F N -0.230 119.763 119.950 0.071 0.000 2.780 335 F HA 0.075 4.602 4.527 -0.000 0.000 0.299 335 F C 1.200 177.028 175.800 0.047 0.000 1.146 335 F CA -0.217 57.811 58.000 0.047 0.000 1.428 335 F CB -0.105 38.870 39.000 -0.041 0.000 1.115 335 F HN -0.131 nan 8.300 nan 0.000 0.583 336 D N -0.040 120.478 120.400 0.197 0.000 2.312 336 D HA 0.011 4.650 4.640 -0.000 0.000 0.252 336 D C 1.248 177.620 176.300 0.120 0.000 1.150 336 D CA 0.135 54.211 54.000 0.127 0.000 0.870 336 D CB 1.469 42.316 40.800 0.080 0.000 1.153 336 D HN 0.092 nan 8.370 nan 0.000 0.457 337 S N 3.644 119.410 115.700 0.111 0.000 2.419 337 S HA -0.164 4.306 4.470 -0.000 0.000 0.235 337 S C 1.443 176.085 174.600 0.069 0.000 1.019 337 S CA 0.823 59.083 58.200 0.100 0.000 0.982 337 S CB -0.055 63.195 63.200 0.084 0.000 0.789 337 S HN 0.509 nan 8.310 nan 0.000 0.490 338 K N 0.968 121.400 120.400 0.053 0.000 2.365 338 K HA 0.095 4.415 4.320 -0.000 0.000 0.197 338 K C 0.036 176.658 176.600 0.038 0.000 1.042 338 K CA 0.414 56.723 56.287 0.037 0.000 0.987 338 K CB -0.148 32.364 32.500 0.020 0.000 0.779 338 K HN 0.326 nan 8.250 nan 0.000 0.484 339 T N 1.661 116.245 114.554 0.050 0.000 2.853 339 T HA 0.028 4.378 4.350 -0.000 0.000 0.298 339 T C 0.813 175.547 174.700 0.056 0.000 0.978 339 T CA 0.320 62.452 62.100 0.052 0.000 1.152 339 T CB 1.096 70.004 68.868 0.066 0.000 0.914 339 T HN 0.185 nan 8.240 nan 0.000 0.539 340 E N 1.618 121.850 120.200 0.053 0.000 2.290 340 E HA 0.056 4.406 4.350 -0.000 0.000 0.197 340 E C 0.772 177.406 176.600 0.056 0.000 0.948 340 E CA 0.160 56.599 56.400 0.066 0.000 0.895 340 E CB 0.583 30.323 29.700 0.067 0.000 0.865 340 E HN 0.554 nan 8.360 nan 0.000 0.486 341 Q N 0.360 120.193 119.800 0.054 0.000 2.292 341 Q HA 0.418 4.758 4.340 -0.000 0.000 0.270 341 Q C -0.503 175.550 176.000 0.088 0.000 1.024 341 Q CA -0.608 55.224 55.803 0.048 0.000 0.768 341 Q CB 1.724 30.497 28.738 0.059 0.000 1.250 341 Q HN 0.135 nan 8.270 nan 0.000 0.447 342 G N 3.310 112.116 108.800 0.009 0.000 2.509 342 G HA2 0.558 4.518 3.960 -0.000 0.000 0.269 342 G HA3 0.558 4.518 3.960 -0.000 0.000 0.269 342 G C -2.493 172.267 174.900 -0.233 0.000 1.416 342 G CA -0.908 44.176 45.100 -0.025 0.000 1.052 342 G HN 0.570 nan 8.290 nan 0.000 0.542 343 P HA 0.229 nan 4.420 nan 0.000 0.279 343 P C -0.899 176.214 177.300 -0.313 0.000 1.276 343 P CA -0.441 62.185 63.100 -0.790 0.000 0.801 343 P CB 1.053 32.093 31.700 -1.100 0.000 1.127 344 Q N -0.082 119.624 119.800 -0.156 0.000 2.368 344 Q HA 0.071 4.411 4.340 -0.000 0.000 0.237 344 Q C 1.402 177.288 176.000 -0.190 0.000 0.987 344 Q CA -0.426 55.322 55.803 -0.091 0.000 0.896 344 Q CB 0.469 29.231 28.738 0.041 0.000 1.241 344 Q HN 0.203 nan 8.270 nan 0.000 0.485 345 V N 0.862 120.580 119.914 -0.328 0.000 2.278 345 V HA -0.257 3.863 4.120 -0.000 0.000 0.251 345 V C 0.464 176.261 176.094 -0.494 0.000 1.062 345 V CA 2.879 64.879 62.300 -0.499 0.000 1.038 345 V CB -0.067 31.084 31.823 -1.119 0.000 0.646 345 V HN 1.016 nan 8.190 nan 0.000 0.447 346 D N -3.561 116.453 120.400 -0.645 0.000 2.677 346 D HA 0.126 4.766 4.640 -0.000 0.000 0.298 346 D C 0.716 176.321 176.300 -1.158 0.000 1.250 346 D CA -0.012 53.466 54.000 -0.869 0.000 0.888 346 D CB 0.739 41.206 40.800 -0.555 0.000 1.397 346 D HN 0.057 nan 8.370 nan 0.000 0.461 347 E N -0.460 119.016 120.200 -1.207 0.000 2.051 347 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 347 E C 1.240 177.717 176.600 -0.205 0.000 0.991 347 E CA 1.968 57.966 56.400 -0.670 0.000 0.799 347 E CB -0.142 29.395 29.700 -0.273 0.000 0.748 347 E HN 0.536 nan 8.360 nan 0.000 0.449 348 T N 1.364 115.798 114.554 -0.200 0.000 2.665 348 T HA -0.198 4.152 4.350 -0.000 0.000 0.268 348 T C 1.827 176.500 174.700 -0.044 0.000 1.035 348 T CA 1.404 63.450 62.100 -0.091 0.000 1.151 348 T CB -0.207 68.605 68.868 -0.093 0.000 0.862 348 T HN 0.173 nan 8.240 nan 0.000 0.438 349 Q N -0.109 119.635 119.800 -0.093 0.000 2.119 349 Q HA 0.025 4.365 4.340 -0.000 0.000 0.201 349 Q C 2.064 178.117 176.000 0.088 0.000 0.972 349 Q CA 0.922 56.729 55.803 0.007 0.000 0.847 349 Q CB -0.631 28.070 28.738 -0.063 0.000 0.903 349 Q HN 0.547 nan 8.270 nan 0.000 0.433 350 F N 1.898 121.771 119.950 -0.129 0.000 2.095 350 F HA -0.235 4.292 4.527 -0.000 0.000 0.298 350 F C 2.000 177.810 175.800 0.018 0.000 1.104 350 F CA 1.663 59.640 58.000 -0.037 0.000 1.232 350 F CB 0.022 38.998 39.000 -0.041 0.000 0.987 350 F HN -0.034 nan 8.300 nan 0.000 0.475 351 K N -0.015 120.413 120.400 0.047 0.000 2.062 351 K HA -0.164 4.156 4.320 -0.000 0.000 0.205 351 K C 2.197 178.767 176.600 -0.051 0.000 1.051 351 K CA 1.322 57.575 56.287 -0.057 0.000 0.941 351 K CB -0.273 32.237 32.500 0.017 0.000 0.719 351 K HN 0.153 nan 8.250 nan 0.000 0.440 352 K N 1.128 121.534 120.400 0.010 0.000 2.103 352 K HA -0.140 4.180 4.320 -0.000 0.000 0.207 352 K C 1.946 178.624 176.600 0.130 0.000 1.048 352 K CA 1.272 57.582 56.287 0.039 0.000 0.930 352 K CB -0.031 32.541 32.500 0.119 0.000 0.716 352 K HN 0.084 nan 8.250 nan 0.000 0.444 353 I N 0.832 121.488 120.570 0.142 0.000 2.163 353 I HA -0.287 3.883 4.170 -0.000 0.000 0.240 353 I C 2.133 178.307 176.117 0.096 0.000 1.081 353 I CA 0.998 62.408 61.300 0.184 0.000 1.353 353 I CB -0.211 37.858 38.000 0.115 0.000 1.054 353 I HN 0.147 nan 8.210 nan 0.000 0.407 354 L N 0.578 121.765 121.223 -0.060 0.000 2.127 354 L HA -0.169 4.171 4.340 -0.000 0.000 0.211 354 L C 2.626 179.478 176.870 -0.030 0.000 1.089 354 L CA 1.494 56.281 54.840 -0.088 0.000 0.757 354 L CB -1.089 40.833 42.059 -0.227 0.000 0.899 354 L HN 0.342 nan 8.230 nan 0.000 0.434 355 G N -1.180 107.585 108.800 -0.058 0.000 2.402 355 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.216 355 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.216 355 G C 1.367 176.203 174.900 -0.108 0.000 1.162 355 G CA 0.482 45.514 45.100 -0.113 0.000 0.777 355 G HN 0.299 nan 8.290 nan 0.000 0.539 356 Y N 0.510 120.814 120.300 0.008 0.000 2.242 356 Y HA 0.012 4.562 4.550 -0.000 0.000 0.291 356 Y C 2.763 178.681 175.900 0.030 0.000 1.137 356 Y CA 0.651 58.756 58.100 0.009 0.000 1.181 356 Y CB -0.021 38.451 38.460 0.019 0.000 0.989 356 Y HN 0.117 nan 8.280 nan 0.000 0.527 357 I N -0.179 120.535 120.570 0.241 0.000 2.226 357 I HA -0.343 3.827 4.170 -0.000 0.000 0.245 357 I C 2.433 178.705 176.117 0.259 0.000 1.100 357 I CA 1.321 62.811 61.300 0.317 0.000 1.374 357 I CB -0.468 37.671 38.000 0.231 0.000 1.057 357 I HN 0.366 nan 8.210 nan 0.000 0.413 358 N N 0.665 119.441 118.700 0.126 0.000 2.084 358 N HA -0.165 4.575 4.740 -0.000 0.000 0.190 358 N C 1.745 177.290 175.510 0.059 0.000 1.030 358 N CA 2.103 55.202 53.050 0.081 0.000 0.849 358 N CB -0.010 38.491 38.487 0.023 0.000 1.012 358 N HN 0.265 nan 8.380 nan 0.000 0.423 359 T N -0.135 114.432 114.554 0.020 0.000 2.803 359 T HA -0.103 4.247 4.350 -0.000 0.000 0.269 359 T C 1.722 176.401 174.700 -0.036 0.000 1.052 359 T CA 1.307 63.401 62.100 -0.009 0.000 1.136 359 T CB -0.635 68.220 68.868 -0.022 0.000 0.864 359 T HN 0.431 nan 8.240 nan 0.000 0.467 360 G N 1.573 110.323 108.800 -0.085 0.000 2.404 360 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.215 360 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.215 360 G C 1.599 176.424 174.900 -0.125 0.000 1.174 360 G CA 0.574 45.451 45.100 -0.372 0.000 0.780 360 G HN 0.430 nan 8.290 nan 0.000 0.537 361 K N -0.238 120.252 120.400 0.150 0.000 2.057 361 K HA -0.086 4.233 4.320 -0.000 0.000 0.207 361 K C 2.581 179.236 176.600 0.091 0.000 1.049 361 K CA 1.332 57.743 56.287 0.206 0.000 0.931 361 K CB -0.146 32.473 32.500 0.199 0.000 0.714 361 K HN 0.214 nan 8.250 nan 0.000 0.440 362 Q N 1.348 121.179 119.800 0.052 0.000 2.135 362 Q HA -0.180 4.160 4.340 -0.000 0.000 0.204 362 Q C 1.291 177.300 176.000 0.015 0.000 0.981 362 Q CA 1.805 57.624 55.803 0.027 0.000 0.856 362 Q CB 0.116 28.862 28.738 0.013 0.000 0.902 362 Q HN 0.426 nan 8.270 nan 0.000 0.425 363 E N -2.351 117.847 120.200 -0.003 0.000 2.476 363 E HA 0.157 4.507 4.350 -0.000 0.000 0.191 363 E C 0.722 177.323 176.600 0.002 0.000 1.064 363 E CA 0.479 56.874 56.400 -0.008 0.000 0.866 363 E CB 0.435 30.121 29.700 -0.023 0.000 0.952 363 E HN 0.370 nan 8.360 nan 0.000 0.492 364 G N 0.820 109.633 108.800 0.021 0.000 2.184 364 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.206 364 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.206 364 G C 0.389 175.326 174.900 0.063 0.000 0.995 364 G CA -0.220 44.904 45.100 0.041 0.000 0.651 364 G HN 0.614 nan 8.290 nan 0.000 0.511 365 A N 0.329 123.180 122.820 0.052 0.000 2.425 365 A HA 0.600 4.920 4.320 -0.000 0.000 0.249 365 A C 0.595 178.351 177.584 0.287 0.000 1.084 365 A CA 0.568 52.674 52.037 0.114 0.000 0.781 365 A CB 0.403 19.353 19.000 -0.084 0.000 1.019 365 A HN 0.493 nan 8.150 nan 0.000 0.490 366 K N 2.484 123.051 120.400 0.279 0.000 2.292 366 K HA 0.264 4.584 4.320 -0.000 0.000 0.290 366 K C -0.701 176.029 176.600 0.217 0.000 1.083 366 K CA -0.419 56.002 56.287 0.224 0.000 0.918 366 K CB 0.104 32.699 32.500 0.158 0.000 1.089 366 K HN 0.597 nan 8.250 nan 0.000 0.473 367 L N 6.509 127.795 121.223 0.104 0.000 2.456 367 L HA 0.072 4.412 4.340 -0.000 0.000 0.277 367 L C 0.328 177.121 176.870 -0.128 0.000 1.124 367 L CA 0.513 55.225 54.840 -0.213 0.000 0.880 367 L CB 0.411 42.335 42.059 -0.224 0.000 1.192 367 L HN 0.771 nan 8.230 nan 0.000 0.463 368 L N 4.855 125.991 121.223 -0.146 0.000 2.416 368 L HA 0.213 4.553 4.340 -0.000 0.000 0.216 368 L C 0.414 177.233 176.870 -0.084 0.000 1.098 368 L CA 0.097 54.895 54.840 -0.071 0.000 0.840 368 L CB -0.228 41.814 42.059 -0.028 0.000 0.981 368 L HN 0.826 nan 8.230 nan 0.000 0.462 369 C N -3.232 115.990 119.300 -0.130 0.000 3.275 369 C HA 0.703 5.163 4.460 -0.000 0.000 0.345 369 C C 0.708 175.628 174.990 -0.116 0.000 1.257 369 C CA -0.700 58.258 59.018 -0.099 0.000 1.203 369 C CB 0.751 28.449 27.740 -0.069 0.000 1.492 369 C HN 0.611 nan 8.230 nan 0.000 0.484 370 G N 0.939 109.693 108.800 -0.076 0.000 2.582 370 G HA2 0.347 4.307 3.960 -0.000 0.000 0.288 370 G HA3 0.347 4.307 3.960 -0.000 0.000 0.288 370 G C 1.330 176.184 174.900 -0.076 0.000 1.247 370 G CA 2.384 47.451 45.100 -0.056 0.000 0.972 370 G HN 3.361 nan 8.290 nan 0.000 0.557 371 G N -2.388 106.378 108.800 -0.056 0.000 2.184 371 G HA2 0.440 4.400 3.960 -0.000 0.000 0.206 371 G HA3 0.440 4.400 3.960 -0.000 0.000 0.206 371 G C 1.341 176.236 174.900 -0.008 0.000 0.995 371 G CA 0.965 46.035 45.100 -0.050 0.000 0.651 371 G HN 2.533 nan 8.290 nan 0.000 0.511 372 G N -0.925 107.875 108.800 0.001 0.000 3.022 372 G HA2 0.675 4.635 3.960 -0.000 0.000 0.284 372 G HA3 0.675 4.635 3.960 -0.000 0.000 0.284 372 G C -0.256 174.667 174.900 0.038 0.000 1.375 372 G CA -0.880 44.225 45.100 0.008 0.000 0.902 372 G HN 0.582 nan 8.290 nan 0.000 0.538 373 I N 1.137 121.743 120.570 0.059 0.000 2.648 373 I HA 0.204 4.374 4.170 -0.000 0.000 0.284 373 I C 1.423 177.623 176.117 0.138 0.000 1.153 373 I CA 0.026 61.419 61.300 0.155 0.000 1.426 373 I CB 1.663 39.789 38.000 0.210 0.000 1.381 373 I HN 0.546 nan 8.210 nan 0.000 0.571 374 A N 5.271 128.203 122.820 0.187 0.000 2.308 374 A HA 0.667 4.987 4.320 -0.000 0.000 0.217 374 A C 0.664 178.256 177.584 0.013 0.000 1.216 374 A CA 0.542 52.638 52.037 0.100 0.000 0.864 374 A CB 0.079 19.155 19.000 0.127 0.000 0.902 374 A HN 0.831 nan 8.150 nan 0.000 0.499 375 A N -0.508 122.345 122.820 0.056 0.000 2.599 375 A HA 0.481 4.801 4.320 -0.000 0.000 0.294 375 A C -0.207 177.394 177.584 0.029 0.000 1.055 375 A CA 0.064 52.070 52.037 -0.051 0.000 0.683 375 A CB 0.172 18.989 19.000 -0.305 0.000 1.278 375 A HN 0.139 nan 8.150 nan 0.000 0.412 376 D N 0.244 120.636 120.400 -0.014 0.000 2.277 376 D HA -0.023 4.617 4.640 -0.000 0.000 0.208 376 D C 0.712 176.996 176.300 -0.026 0.000 0.962 376 D CA 0.577 54.579 54.000 0.004 0.000 0.865 376 D CB 0.544 41.338 40.800 -0.010 0.000 0.939 376 D HN 0.449 nan 8.370 nan 0.000 0.510 377 R N 0.519 120.988 120.500 -0.051 0.000 2.445 377 R HA 0.455 4.795 4.340 -0.000 0.000 0.308 377 R C 0.033 176.317 176.300 -0.027 0.000 0.961 377 R CA 0.236 56.289 56.100 -0.077 0.000 0.862 377 R CB 1.519 31.777 30.300 -0.070 0.000 1.144 377 R HN 0.131 nan 8.270 nan 0.000 0.447 378 G N 2.300 110.948 108.800 -0.253 0.000 2.756 378 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.678 378 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.678 378 G C -0.911 173.573 174.900 -0.693 0.000 1.349 378 G CA -0.575 44.256 45.100 -0.449 0.000 0.847 378 G HN 0.676 nan 8.290 nan 0.000 0.548 379 Y N -0.092 119.881 120.300 -0.545 0.000 2.960 379 Y HA 0.499 5.049 4.550 -0.000 0.000 0.393 379 Y C 0.784 176.473 175.900 -0.352 0.000 1.118 379 Y CA -0.650 56.937 58.100 -0.855 0.000 1.850 379 Y CB -0.165 37.892 38.460 -0.671 0.000 1.827 379 Y HN 0.333 nan 8.280 nan 0.000 0.463 380 F N 1.439 121.404 119.950 0.025 0.000 2.410 380 F HA 0.446 4.973 4.527 -0.000 0.000 0.348 380 F C 0.291 176.290 175.800 0.332 0.000 1.106 380 F CA -0.798 57.301 58.000 0.164 0.000 1.163 380 F CB 0.630 39.662 39.000 0.053 0.000 1.129 380 F HN 0.024 nan 8.300 nan 0.000 0.516 381 I N 2.465 123.279 120.570 0.408 0.000 2.569 381 I HA 0.255 4.425 4.170 -0.000 0.000 0.296 381 I C -0.579 175.653 176.117 0.192 0.000 1.028 381 I CA -1.060 60.404 61.300 0.273 0.000 1.082 381 I CB 2.128 40.246 38.000 0.196 0.000 1.264 381 I HN 0.513 nan 8.210 nan 0.000 0.429 382 Q N 5.455 125.333 119.800 0.129 0.000 2.352 382 Q HA 0.228 4.568 4.340 -0.000 0.000 0.260 382 Q C -2.334 173.718 176.000 0.086 0.000 0.976 382 Q CA -1.623 54.229 55.803 0.081 0.000 0.881 382 Q CB 0.242 29.003 28.738 0.039 0.000 1.235 382 Q HN 0.235 nan 8.270 nan 0.000 0.419 383 P HA -0.039 nan 4.420 nan 0.000 0.260 383 P C -1.073 176.298 177.300 0.119 0.000 1.207 383 P CA 0.575 63.730 63.100 0.091 0.000 0.780 383 P CB 0.482 32.044 31.700 -0.231 0.000 0.789 384 T N 3.005 117.689 114.554 0.216 0.000 2.859 384 T HA 0.499 4.848 4.350 -0.000 0.000 0.281 384 T C -0.289 174.471 174.700 0.100 0.000 1.005 384 T CA -0.427 61.710 62.100 0.061 0.000 1.025 384 T CB 1.047 69.915 68.868 0.001 0.000 0.977 384 T HN -0.062 nan 8.240 nan 0.000 0.458 385 V N 3.456 123.339 119.914 -0.053 0.000 2.577 385 V HA 0.520 4.640 4.120 -0.000 0.000 0.303 385 V C -1.139 174.882 176.094 -0.121 0.000 1.042 385 V CA -0.903 61.402 62.300 0.009 0.000 0.872 385 V CB 1.374 33.236 31.823 0.066 0.000 0.998 385 V HN 0.826 nan 8.190 nan 0.000 0.423 386 F N 2.242 122.220 119.950 0.048 0.000 2.458 386 F HA 0.788 5.315 4.527 -0.000 0.000 0.336 386 F C 0.908 176.744 175.800 0.060 0.000 1.114 386 F CA -0.262 57.767 58.000 0.048 0.000 0.987 386 F CB 2.163 41.184 39.000 0.035 0.000 1.130 386 F HN 0.603 nan 8.300 nan 0.000 0.458 387 G N 0.623 109.594 108.800 0.286 0.000 2.509 387 G HA2 0.359 4.319 3.960 -0.000 0.000 0.328 387 G HA3 0.359 4.319 3.960 -0.000 0.000 0.328 387 G C -0.620 174.436 174.900 0.260 0.000 1.194 387 G CA -0.685 44.569 45.100 0.256 0.000 0.967 387 G HN 0.705 nan 8.290 nan 0.000 0.488 388 D N -1.022 119.563 120.400 0.307 0.000 2.701 388 D HA -0.164 4.476 4.640 -0.000 0.000 0.235 388 D C 0.733 177.105 176.300 0.121 0.000 1.155 388 D CA 0.674 54.782 54.000 0.180 0.000 0.649 388 D CB -1.270 39.602 40.800 0.120 0.000 1.050 388 D HN 0.197 nan 8.370 nan 0.000 0.425 389 V N 0.519 120.502 119.914 0.116 0.000 2.811 389 V HA 0.054 4.174 4.120 -0.000 0.000 0.302 389 V C 0.886 177.003 176.094 0.038 0.000 1.063 389 V CA 0.109 62.435 62.300 0.044 0.000 1.088 389 V CB 1.644 33.466 31.823 -0.002 0.000 0.982 389 V HN 0.065 nan 8.190 nan 0.000 0.485 390 Q N 1.553 121.366 119.800 0.022 0.000 2.348 390 Q HA 0.332 4.672 4.340 -0.000 0.000 0.271 390 Q C 0.377 176.401 176.000 0.040 0.000 1.067 390 Q CA -0.769 55.060 55.803 0.042 0.000 0.839 390 Q CB 1.662 30.422 28.738 0.036 0.000 1.354 390 Q HN 0.680 nan 8.270 nan 0.000 0.447 391 D N 1.366 121.811 120.400 0.076 0.000 2.158 391 D HA -0.148 4.492 4.640 -0.000 0.000 0.197 391 D C 1.536 177.867 176.300 0.053 0.000 0.995 391 D CA 1.817 55.868 54.000 0.085 0.000 0.846 391 D CB -0.086 40.782 40.800 0.113 0.000 0.941 391 D HN 0.842 nan 8.370 nan 0.000 0.456 392 G N -0.025 108.799 108.800 0.040 0.000 2.534 392 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.217 392 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.217 392 G C 0.831 175.741 174.900 0.018 0.000 1.128 392 G CA -0.072 45.045 45.100 0.028 0.000 0.784 392 G HN 0.181 nan 8.290 nan 0.000 0.542 393 M N 0.490 120.094 119.600 0.007 0.000 2.250 393 M HA 0.116 4.596 4.480 -0.000 0.000 0.325 393 M C 1.875 178.173 176.300 -0.003 0.000 1.084 393 M CA -0.026 55.267 55.300 -0.012 0.000 1.161 393 M CB 0.722 33.295 32.600 -0.045 0.000 1.481 393 M HN -0.079 nan 8.290 nan 0.000 0.449 394 T N 2.188 116.745 114.554 0.005 0.000 2.708 394 T HA -0.105 4.245 4.350 -0.000 0.000 0.266 394 T C 1.528 176.254 174.700 0.043 0.000 1.037 394 T CA 1.729 63.860 62.100 0.051 0.000 1.146 394 T CB -0.413 68.505 68.868 0.083 0.000 0.865 394 T HN 0.764 nan 8.240 nan 0.000 0.435 395 I N -0.369 120.188 120.570 -0.022 0.000 3.010 395 I HA 0.147 4.317 4.170 -0.000 0.000 0.271 395 I C 1.974 178.029 176.117 -0.103 0.000 1.293 395 I CA 0.879 62.123 61.300 -0.093 0.000 1.452 395 I CB -0.338 37.523 38.000 -0.231 0.000 1.082 395 I HN 0.081 nan 8.210 nan 0.000 0.484 396 A N 0.583 123.366 122.820 -0.061 0.000 2.390 396 A HA 0.284 4.604 4.320 -0.000 0.000 0.232 396 A C 1.963 179.554 177.584 0.012 0.000 1.233 396 A CA -0.161 51.850 52.037 -0.043 0.000 0.907 396 A CB 0.022 18.999 19.000 -0.039 0.000 0.967 396 A HN 0.412 nan 8.150 nan 0.000 0.512 397 K N -0.357 120.061 120.400 0.030 0.000 2.443 397 K HA 0.164 4.483 4.320 -0.000 0.000 0.200 397 K C -0.258 176.413 176.600 0.117 0.000 1.278 397 K CA 0.224 56.556 56.287 0.076 0.000 0.925 397 K CB 0.753 33.291 32.500 0.064 0.000 1.225 397 K HN 0.402 nan 8.250 nan 0.000 0.514 398 E N 2.031 122.274 120.200 0.072 0.000 2.191 398 E HA 0.086 4.436 4.350 -0.000 0.000 0.278 398 E C -0.987 175.540 176.600 -0.122 0.000 0.972 398 E CA -0.313 56.127 56.400 0.067 0.000 0.804 398 E CB 1.787 31.587 29.700 0.166 0.000 1.110 398 E HN 0.074 nan 8.360 nan 0.000 0.394 399 E N 3.644 123.803 120.200 -0.068 0.000 2.292 399 E HA -0.016 4.334 4.350 -0.000 0.000 0.265 399 E C 0.368 176.801 176.600 -0.277 0.000 1.093 399 E CA -0.033 56.278 56.400 -0.148 0.000 0.922 399 E CB 0.334 29.952 29.700 -0.137 0.000 1.001 399 E HN 0.553 nan 8.360 nan 0.000 0.444 400 I N 4.455 124.808 120.570 -0.362 0.000 2.333 400 I HA -0.126 4.044 4.170 -0.000 0.000 0.246 400 I C 0.634 176.785 176.117 0.057 0.000 1.106 400 I CA 0.257 61.306 61.300 -0.418 0.000 1.411 400 I CB -0.004 37.780 38.000 -0.359 0.000 1.082 400 I HN 0.690 nan 8.210 nan 0.000 0.420 401 F N 1.307 121.180 119.950 -0.127 0.000 3.080 401 F HA -0.174 4.353 4.527 -0.000 0.000 0.292 401 F C 0.408 176.209 175.800 0.003 0.000 0.891 401 F CA 0.605 58.581 58.000 -0.038 0.000 1.086 401 F CB -1.389 37.633 39.000 0.037 0.000 1.095 401 F HN 0.140 nan 8.300 nan 0.000 0.633 402 G N -0.544 108.256 108.800 0.001 0.000 2.725 402 G HA2 0.645 4.605 3.960 -0.000 0.000 0.288 402 G HA3 0.645 4.605 3.960 -0.000 0.000 0.288 402 G C -2.913 171.938 174.900 -0.082 0.000 1.399 402 G CA -0.821 44.276 45.100 -0.006 0.000 0.859 402 G HN -0.137 nan 8.290 nan 0.000 0.479 403 P HA 0.211 nan 4.420 nan 0.000 0.232 403 P C -0.556 176.758 177.300 0.024 0.000 1.738 403 P CA 0.019 63.130 63.100 0.018 0.000 0.948 403 P CB 0.099 31.961 31.700 0.271 0.000 1.943 404 V N 3.065 122.900 119.914 -0.131 0.000 2.380 404 V HA 0.317 4.437 4.120 -0.000 0.000 0.286 404 V C 0.342 176.361 176.094 -0.124 0.000 1.015 404 V CA -0.646 61.646 62.300 -0.013 0.000 0.834 404 V CB 1.868 33.752 31.823 0.103 0.000 1.009 404 V HN 0.302 nan 8.190 nan 0.000 0.428 405 M N 4.108 123.646 119.600 -0.103 0.000 2.188 405 M HA 0.532 5.012 4.480 -0.000 0.000 0.357 405 M C -0.704 175.631 176.300 0.059 0.000 1.204 405 M CA -0.267 54.963 55.300 -0.116 0.000 1.095 405 M CB 1.255 33.800 32.600 -0.091 0.000 1.604 405 M HN 0.632 nan 8.290 nan 0.000 0.464 406 Q N 5.058 124.854 119.800 -0.005 0.000 2.333 406 Q HA 0.566 4.905 4.340 -0.000 0.000 0.265 406 Q C -1.262 174.727 176.000 -0.017 0.000 0.989 406 Q CA 0.012 55.828 55.803 0.021 0.000 0.842 406 Q CB 1.893 30.592 28.738 -0.064 0.000 1.262 406 Q HN 0.694 nan 8.270 nan 0.000 0.451 407 I N 4.223 124.827 120.570 0.056 0.000 2.355 407 I HA 0.344 4.514 4.170 -0.000 0.000 0.288 407 I C -0.877 175.310 176.117 0.116 0.000 0.999 407 I CA -0.780 60.555 61.300 0.059 0.000 1.163 407 I CB 0.765 38.819 38.000 0.091 0.000 1.316 407 I HN 0.339 nan 8.210 nan 0.000 0.454 408 L N 6.555 127.795 121.223 0.028 0.000 2.334 408 L HA 0.535 4.875 4.340 -0.000 0.000 0.270 408 L C -0.029 177.060 176.870 0.365 0.000 1.018 408 L CA -0.463 54.447 54.840 0.117 0.000 0.811 408 L CB 1.216 43.184 42.059 -0.150 0.000 1.271 408 L HN 0.461 nan 8.230 nan 0.000 0.443 409 K N 1.532 122.131 120.400 0.332 0.000 2.207 409 K HA 0.704 5.024 4.320 -0.000 0.000 0.255 409 K C -1.525 175.295 176.600 0.367 0.000 0.941 409 K CA -0.506 55.951 56.287 0.283 0.000 0.825 409 K CB 1.470 33.879 32.500 -0.152 0.000 1.119 409 K HN 0.522 nan 8.250 nan 0.000 0.430 410 F N 0.975 121.012 119.950 0.145 0.000 2.662 410 F HA 0.456 4.983 4.527 -0.000 0.000 0.312 410 F C 0.102 175.939 175.800 0.062 0.000 1.113 410 F CA -0.923 57.138 58.000 0.102 0.000 0.951 410 F CB 1.674 40.737 39.000 0.105 0.000 1.344 410 F HN 0.539 nan 8.300 nan 0.000 0.462 411 K N 0.229 120.674 120.400 0.074 0.000 2.267 411 K HA 0.236 4.556 4.320 -0.000 0.000 0.213 411 K C 0.288 176.907 176.600 0.032 0.000 1.060 411 K CA 1.028 57.284 56.287 -0.051 0.000 0.935 411 K CB 0.180 32.687 32.500 0.011 0.000 1.096 411 K HN 0.893 nan 8.250 nan 0.000 0.468 412 T N -1.861 112.816 114.554 0.205 0.000 2.945 412 T HA 0.263 4.613 4.350 -0.000 0.000 0.286 412 T C 1.167 176.062 174.700 0.326 0.000 1.025 412 T CA -0.818 61.404 62.100 0.203 0.000 1.039 412 T CB 1.410 70.345 68.868 0.112 0.000 1.068 412 T HN 0.211 nan 8.240 nan 0.000 0.497 413 I N 0.366 121.078 120.570 0.238 0.000 2.394 413 I HA -0.089 4.081 4.170 -0.000 0.000 0.251 413 I C 2.037 178.262 176.117 0.180 0.000 1.136 413 I CA 1.383 62.816 61.300 0.223 0.000 1.425 413 I CB -0.011 38.086 38.000 0.163 0.000 1.079 413 I HN 0.748 nan 8.210 nan 0.000 0.425 414 E N 0.529 120.816 120.200 0.145 0.000 2.107 414 E HA -0.251 4.099 4.350 -0.000 0.000 0.191 414 E C 1.924 178.562 176.600 0.062 0.000 0.982 414 E CA 1.073 57.555 56.400 0.136 0.000 0.809 414 E CB -0.182 29.576 29.700 0.097 0.000 0.756 414 E HN 0.513 nan 8.360 nan 0.000 0.459 415 E N 0.535 120.773 120.200 0.063 0.000 2.028 415 E HA -0.170 4.179 4.350 -0.000 0.000 0.191 415 E C 2.093 178.636 176.600 -0.094 0.000 0.988 415 E CA 1.146 57.562 56.400 0.028 0.000 0.799 415 E CB -0.063 29.701 29.700 0.106 0.000 0.755 415 E HN 0.153 nan 8.360 nan 0.000 0.447 416 V N 0.534 120.327 119.914 -0.203 0.000 2.490 416 V HA -0.208 3.912 4.120 -0.000 0.000 0.250 416 V C 2.348 178.148 176.094 -0.490 0.000 1.061 416 V CA 1.429 63.366 62.300 -0.606 0.000 1.064 416 V CB -0.024 31.068 31.823 -1.219 0.000 0.670 416 V HN 0.225 nan 8.190 nan 0.000 0.461 417 V N 0.578 120.337 119.914 -0.259 0.000 2.255 417 V HA -0.192 3.927 4.120 -0.000 0.000 0.247 417 V C 2.669 178.655 176.094 -0.180 0.000 1.051 417 V CA 2.318 64.496 62.300 -0.202 0.000 1.018 417 V CB -1.439 30.310 31.823 -0.123 0.000 0.641 417 V HN 0.630 nan 8.190 nan 0.000 0.445 418 G N -0.560 108.163 108.800 -0.129 0.000 2.418 418 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 418 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 418 G C 1.753 176.590 174.900 -0.106 0.000 1.158 418 G CA 0.775 45.821 45.100 -0.090 0.000 0.771 418 G HN 0.444 nan 8.290 nan 0.000 0.545 419 R N 0.391 120.787 120.500 -0.172 0.000 2.075 419 R HA 0.103 4.443 4.340 -0.000 0.000 0.232 419 R C 3.042 179.243 176.300 -0.166 0.000 1.126 419 R CA 1.056 57.064 56.100 -0.153 0.000 0.963 419 R CB -0.344 29.838 30.300 -0.196 0.000 0.858 419 R HN 0.342 nan 8.270 nan 0.000 0.435 420 A N 1.532 124.129 122.820 -0.372 0.000 1.902 420 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 420 A C 1.702 179.259 177.584 -0.045 0.000 1.181 420 A CA 1.485 53.396 52.037 -0.209 0.000 0.623 420 A CB -0.377 18.442 19.000 -0.301 0.000 0.818 420 A HN 0.227 nan 8.150 nan 0.000 0.443 421 N N 0.233 118.887 118.700 -0.076 0.000 2.396 421 N HA -0.080 4.660 4.740 -0.000 0.000 0.180 421 N C 0.419 175.929 175.510 -0.001 0.000 1.028 421 N CA 0.529 53.560 53.050 -0.032 0.000 0.893 421 N CB -0.583 37.875 38.487 -0.048 0.000 0.967 421 N HN 0.449 nan 8.380 nan 0.000 0.440 422 N N 1.035 119.735 118.700 -0.001 0.000 2.605 422 N HA 0.025 4.765 4.740 -0.000 0.000 0.282 422 N C -1.281 174.253 175.510 0.040 0.000 1.206 422 N CA 0.140 53.200 53.050 0.015 0.000 1.074 422 N CB -0.189 38.308 38.487 0.016 0.000 1.434 422 N HN -0.073 nan 8.380 nan 0.000 0.506 423 S N 0.084 115.802 115.700 0.031 0.000 2.567 423 S HA 0.280 4.750 4.470 -0.000 0.000 0.270 423 S C 0.818 175.402 174.600 -0.026 0.000 1.152 423 S CA -0.482 57.738 58.200 0.034 0.000 0.835 423 S CB 0.279 63.547 63.200 0.113 0.000 1.115 423 S HN 0.422 nan 8.310 nan 0.000 0.459 424 T N 0.708 115.176 114.554 -0.143 0.000 3.055 424 T HA 0.204 4.554 4.350 -0.000 0.000 0.265 424 T C 0.568 175.107 174.700 -0.268 0.000 1.111 424 T CA 0.820 62.762 62.100 -0.264 0.000 1.118 424 T CB -0.459 68.144 68.868 -0.442 0.000 0.909 424 T HN 0.549 nan 8.240 nan 0.000 0.501 425 Y N 0.605 120.926 120.300 0.035 0.000 2.374 425 Y HA 0.586 5.136 4.550 -0.000 0.000 0.322 425 Y C 1.294 177.212 175.900 0.029 0.000 1.275 425 Y CA -0.921 57.200 58.100 0.036 0.000 1.307 425 Y CB 1.470 39.956 38.460 0.044 0.000 1.282 425 Y HN 0.086 nan 8.280 nan 0.000 0.509 426 G N 0.794 109.718 108.800 0.207 0.000 5.515 426 G HA2 0.078 4.038 3.960 -0.000 0.000 0.198 426 G HA3 0.078 4.038 3.960 -0.000 0.000 0.198 426 G C -0.129 174.737 174.900 -0.058 0.000 0.858 426 G CA -0.277 44.855 45.100 0.054 0.000 0.634 426 G HN 0.548 nan 8.290 nan 0.000 0.290 427 L N 0.609 121.821 121.223 -0.019 0.000 2.044 427 L HA 0.727 5.067 4.340 -0.000 0.000 0.205 427 L C 1.145 177.903 176.870 -0.186 0.000 1.075 427 L CA 2.354 57.127 54.840 -0.112 0.000 0.747 427 L CB -0.029 42.018 42.059 -0.021 0.000 0.903 427 L HN 0.485 nan 8.230 nan 0.000 0.435 428 A N -2.222 120.552 122.820 -0.077 0.000 2.588 428 A HA 0.900 5.220 4.320 -0.000 0.000 0.290 428 A C -1.430 176.144 177.584 -0.017 0.000 1.136 428 A CA -0.121 51.836 52.037 -0.133 0.000 0.681 428 A CB 0.814 19.801 19.000 -0.023 0.000 1.282 428 A HN 0.536 nan 8.150 nan 0.000 0.421 429 A N -1.348 121.457 122.820 -0.026 0.000 2.566 429 A HA 0.998 5.318 4.320 -0.000 0.000 0.290 429 A C -0.731 176.983 177.584 0.216 0.000 1.071 429 A CA 0.104 52.219 52.037 0.129 0.000 0.658 429 A CB 0.506 19.518 19.000 0.021 0.000 1.285 429 A HN 2.686 nan 8.150 nan 0.000 0.427 430 A N -0.364 122.669 122.820 0.355 0.000 2.572 430 A HA 0.790 5.110 4.320 -0.000 0.000 0.295 430 A C -1.526 176.279 177.584 0.367 0.000 1.072 430 A CA -0.459 51.836 52.037 0.429 0.000 0.691 430 A CB 1.556 21.019 19.000 0.771 0.000 1.291 430 A HN 1.805 nan 8.150 nan 0.000 0.404 431 V N 1.078 121.157 119.914 0.276 0.000 2.638 431 V HA 0.569 4.689 4.120 -0.000 0.000 0.306 431 V C -1.538 174.644 176.094 0.148 0.000 1.052 431 V CA -0.294 62.151 62.300 0.241 0.000 0.885 431 V CB 1.510 33.408 31.823 0.124 0.000 0.999 431 V HN 0.715 nan 8.190 nan 0.000 0.424 432 F N 2.685 122.753 119.950 0.196 0.000 2.402 432 F HA 0.783 5.310 4.527 -0.000 0.000 0.355 432 F C 0.368 176.278 175.800 0.183 0.000 1.123 432 F CA -0.160 57.968 58.000 0.213 0.000 1.021 432 F CB 2.034 41.170 39.000 0.228 0.000 1.160 432 F HN 0.534 nan 8.300 nan 0.000 0.451 433 T N 2.214 116.885 114.554 0.195 0.000 2.827 433 T HA 0.287 4.637 4.350 -0.000 0.000 0.328 433 T C 0.033 174.797 174.700 0.106 0.000 1.598 433 T CA -0.650 61.547 62.100 0.163 0.000 1.043 433 T CB 1.482 70.434 68.868 0.141 0.000 1.447 433 T HN 0.656 nan 8.240 nan 0.000 0.491 434 K N 0.543 121.000 120.400 0.094 0.000 2.360 434 K HA 0.194 4.514 4.320 -0.000 0.000 0.196 434 K C -0.240 176.387 176.600 0.046 0.000 1.049 434 K CA -0.121 56.202 56.287 0.060 0.000 1.049 434 K CB 0.335 32.871 32.500 0.060 0.000 0.881 434 K HN 0.514 nan 8.250 nan 0.000 0.542 435 D N 1.041 121.474 120.400 0.056 0.000 2.312 435 D HA 0.009 4.649 4.640 -0.000 0.000 0.252 435 D C 0.887 177.213 176.300 0.043 0.000 1.150 435 D CA -0.223 53.804 54.000 0.045 0.000 0.870 435 D CB 1.050 41.879 40.800 0.049 0.000 1.153 435 D HN -0.158 nan 8.370 nan 0.000 0.457 436 L N 4.118 125.360 121.223 0.032 0.000 1.989 436 L HA -0.141 4.199 4.340 -0.000 0.000 0.211 436 L C 1.316 178.211 176.870 0.042 0.000 1.071 436 L CA 1.935 56.793 54.840 0.030 0.000 0.749 436 L CB -0.449 41.623 42.059 0.021 0.000 0.890 436 L HN 0.515 nan 8.230 nan 0.000 0.431 437 D N -0.395 120.028 120.400 0.038 0.000 2.144 437 D HA -0.184 4.456 4.640 -0.000 0.000 0.199 437 D C 2.204 178.552 176.300 0.080 0.000 0.984 437 D CA 1.308 55.336 54.000 0.046 0.000 0.834 437 D CB -0.066 40.743 40.800 0.015 0.000 0.955 437 D HN 0.399 nan 8.370 nan 0.000 0.465 438 K N 0.465 120.910 120.400 0.074 0.000 2.057 438 K HA -0.013 4.307 4.320 -0.000 0.000 0.206 438 K C 2.144 178.835 176.600 0.152 0.000 1.050 438 K CA 1.093 57.451 56.287 0.119 0.000 0.935 438 K CB -0.074 32.488 32.500 0.103 0.000 0.715 438 K HN 0.024 nan 8.250 nan 0.000 0.439 439 A N 1.977 124.858 122.820 0.100 0.000 1.877 439 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 439 A C 1.843 179.468 177.584 0.068 0.000 1.186 439 A CA 1.672 53.753 52.037 0.074 0.000 0.620 439 A CB -0.484 18.542 19.000 0.044 0.000 0.822 439 A HN 0.232 nan 8.150 nan 0.000 0.443 440 N N -1.619 117.128 118.700 0.077 0.000 2.188 440 N HA -0.143 4.597 4.740 -0.000 0.000 0.184 440 N C 1.629 177.193 175.510 0.090 0.000 1.018 440 N CA 1.618 54.707 53.050 0.065 0.000 0.858 440 N CB -0.534 37.989 38.487 0.062 0.000 0.989 440 N HN 0.671 nan 8.380 nan 0.000 0.426 441 Y N 1.766 122.067 120.300 0.002 0.000 2.145 441 Y HA -0.072 4.478 4.550 -0.000 0.000 0.286 441 Y C 2.238 178.133 175.900 -0.009 0.000 1.145 441 Y CA 1.363 59.463 58.100 -0.001 0.000 1.148 441 Y CB -0.484 37.980 38.460 0.006 0.000 0.981 441 Y HN -0.057 nan 8.280 nan 0.000 0.507 442 L N -0.215 121.022 121.223 0.023 0.000 2.056 442 L HA -0.204 4.136 4.340 -0.000 0.000 0.207 442 L C 2.797 179.593 176.870 -0.123 0.000 1.078 442 L CA 1.600 56.383 54.840 -0.095 0.000 0.749 442 L CB -0.862 41.218 42.059 0.036 0.000 0.901 442 L HN 0.399 nan 8.230 nan 0.000 0.433 443 S N -0.922 114.737 115.700 -0.067 0.000 2.419 443 S HA -0.295 4.175 4.470 -0.000 0.000 0.233 443 S C 1.891 176.425 174.600 -0.110 0.000 1.016 443 S CA 1.499 59.649 58.200 -0.084 0.000 0.974 443 S CB -0.312 62.855 63.200 -0.056 0.000 0.786 443 S HN 0.538 nan 8.310 nan 0.000 0.492 444 Q N 0.695 120.424 119.800 -0.119 0.000 2.165 444 Q HA 0.194 4.533 4.340 -0.000 0.000 0.197 444 Q C 2.251 178.158 176.000 -0.155 0.000 0.952 444 Q CA 0.851 56.585 55.803 -0.115 0.000 0.848 444 Q CB -0.409 28.276 28.738 -0.089 0.000 0.931 444 Q HN 0.687 nan 8.270 nan 0.000 0.470 445 A N 0.965 123.627 122.820 -0.264 0.000 1.929 445 A HA 0.061 4.381 4.320 -0.000 0.000 0.216 445 A C 1.016 178.485 177.584 -0.192 0.000 1.176 445 A CA 0.222 52.086 52.037 -0.289 0.000 0.628 445 A CB -0.462 18.217 19.000 -0.535 0.000 0.816 445 A HN 0.373 nan 8.150 nan 0.000 0.444 446 L N 1.014 122.127 121.223 -0.183 0.000 2.513 446 L HA 0.014 4.354 4.340 -0.000 0.000 0.272 446 L C 0.134 176.914 176.870 -0.150 0.000 1.187 446 L CA -0.066 54.682 54.840 -0.153 0.000 0.895 446 L CB 0.296 42.269 42.059 -0.144 0.000 1.147 446 L HN 0.413 nan 8.230 nan 0.000 0.483 447 Q N 3.739 123.473 119.800 -0.111 0.000 2.844 447 Q HA 0.495 4.835 4.340 -0.000 0.000 0.235 447 Q C -0.354 175.441 176.000 -0.341 0.000 1.336 447 Q CA -0.265 55.498 55.803 -0.067 0.000 1.026 447 Q CB 0.727 29.520 28.738 0.092 0.000 1.513 447 Q HN 0.701 nan 8.270 nan 0.000 0.577 448 A N -0.166 122.195 122.820 -0.765 0.000 2.572 448 A HA 0.662 4.982 4.320 -0.000 0.000 0.295 448 A C 0.825 177.717 177.584 -1.154 0.000 1.072 448 A CA -0.443 51.109 52.037 -0.808 0.000 0.691 448 A CB 1.183 19.947 19.000 -0.394 0.000 1.291 448 A HN 0.549 nan 8.150 nan 0.000 0.404 449 G N -0.080 108.205 108.800 -0.858 0.000 2.471 449 G HA2 0.306 4.266 3.960 -0.000 0.000 0.219 449 G HA3 0.306 4.266 3.960 -0.000 0.000 0.219 449 G C 0.443 175.062 174.900 -0.469 0.000 1.125 449 G CA 1.607 46.370 45.100 -0.562 0.000 0.775 449 G HN 0.852 nan 8.290 nan 0.000 0.548 450 T N -0.179 114.060 114.554 -0.525 0.000 3.011 450 T HA 0.490 4.840 4.350 -0.000 0.000 0.303 450 T C -1.136 173.145 174.700 -0.697 0.000 0.997 450 T CA -0.406 61.315 62.100 -0.632 0.000 1.007 450 T CB 2.640 71.038 68.868 -0.783 0.000 1.017 450 T HN -0.104 nan 8.240 nan 0.000 0.443 451 V N 3.868 123.434 119.914 -0.581 0.000 2.409 451 V HA 0.481 4.601 4.120 -0.000 0.000 0.291 451 V C -0.684 175.209 176.094 -0.336 0.000 1.020 451 V CA -0.981 61.089 62.300 -0.384 0.000 0.848 451 V CB 1.428 33.117 31.823 -0.224 0.000 0.990 451 V HN 0.763 nan 8.190 nan 0.000 0.430 452 W N 3.477 124.686 121.300 -0.151 0.000 2.438 452 W HA 0.657 5.317 4.660 -0.000 0.000 0.324 452 W C -0.642 175.807 176.519 -0.117 0.000 1.119 452 W CA -0.668 56.586 57.345 -0.153 0.000 1.221 452 W CB 1.983 31.314 29.460 -0.216 0.000 1.253 452 W HN 0.280 nan 8.180 nan 0.000 0.555 453 V N 4.269 124.238 119.914 0.092 0.000 2.378 453 V HA 0.147 4.267 4.120 -0.000 0.000 0.288 453 V C 0.097 176.091 176.094 -0.165 0.000 1.016 453 V CA -1.023 61.248 62.300 -0.049 0.000 0.840 453 V CB 1.022 32.830 31.823 -0.025 0.000 0.994 453 V HN 0.678 nan 8.190 nan 0.000 0.431 454 N N 2.073 120.453 118.700 -0.532 0.000 2.754 454 N HA -0.172 4.568 4.740 -0.000 0.000 0.248 454 N C -0.282 175.153 175.510 -0.126 0.000 1.093 454 N CA 1.248 53.911 53.050 -0.646 0.000 0.699 454 N CB -1.109 37.286 38.487 -0.155 0.000 1.016 454 N HN 1.128 nan 8.380 nan 0.000 0.552 455 C N -4.295 114.894 119.300 -0.184 0.000 3.216 455 C HA 0.775 5.235 4.460 -0.000 0.000 0.346 455 C C -1.234 173.790 174.990 0.057 0.000 1.384 455 C CA -1.381 57.717 59.018 0.133 0.000 1.208 455 C CB 1.632 29.425 27.740 0.088 0.000 1.483 455 C HN 0.274 nan 8.230 nan 0.000 0.453 456 Y N -0.021 120.061 120.300 -0.364 0.000 2.592 456 Y HA 0.477 5.026 4.550 -0.000 0.000 0.334 456 Y C -0.364 174.872 175.900 -1.107 0.000 1.136 456 Y CA 0.434 58.055 58.100 -0.798 0.000 1.042 456 Y CB 1.372 39.715 38.460 -0.195 0.000 1.325 456 Y HN 1.029 nan 8.280 nan 0.000 0.457 457 D N 1.978 121.111 120.400 -2.113 0.000 2.708 457 D HA -0.134 4.506 4.640 -0.000 0.000 0.236 457 D C -0.954 174.867 176.300 -0.798 0.000 1.146 457 D CA 0.922 54.242 54.000 -1.132 0.000 0.662 457 D CB -1.074 39.672 40.800 -0.090 0.000 1.059 457 D HN 0.155 nan 8.370 nan 0.000 0.428 458 V N 1.460 120.787 119.914 -0.977 0.000 2.284 458 V HA 0.281 4.401 4.120 -0.000 0.000 0.260 458 V C 0.440 176.483 176.094 -0.085 0.000 1.084 458 V CA -0.339 61.794 62.300 -0.278 0.000 0.894 458 V CB -0.216 31.539 31.823 -0.113 0.000 1.119 458 V HN 0.001 nan 8.190 nan 0.000 0.484 459 F N 2.279 122.296 119.950 0.111 0.000 2.421 459 F HA 0.760 5.287 4.527 -0.000 0.000 0.337 459 F C 0.921 176.726 175.800 0.007 0.000 1.105 459 F CA -0.454 57.585 58.000 0.065 0.000 1.049 459 F CB 1.817 40.827 39.000 0.017 0.000 1.139 459 F HN 0.464 nan 8.300 nan 0.000 0.479 460 G N 0.448 109.322 108.800 0.123 0.000 2.452 460 G HA2 0.516 4.476 3.960 -0.000 0.000 0.324 460 G HA3 0.516 4.476 3.960 -0.000 0.000 0.324 460 G C 0.268 175.093 174.900 -0.126 0.000 1.214 460 G CA -0.536 44.561 45.100 -0.006 0.000 0.947 460 G HN 0.873 nan 8.290 nan 0.000 0.478 461 A N 1.041 123.722 122.820 -0.232 0.000 2.125 461 A HA -0.039 4.281 4.320 -0.000 0.000 0.219 461 A C 2.108 179.172 177.584 -0.866 0.000 1.156 461 A CA 1.607 53.388 52.037 -0.427 0.000 0.671 461 A CB -0.119 18.665 19.000 -0.361 0.000 0.794 461 A HN 0.589 nan 8.150 nan 0.000 0.459 462 Q N -0.093 119.244 119.800 -0.770 0.000 2.245 462 Q HA 0.129 4.469 4.340 -0.000 0.000 0.201 462 Q C 0.520 176.444 176.000 -0.126 0.000 0.955 462 Q CA 0.731 56.185 55.803 -0.580 0.000 0.870 462 Q CB 0.069 28.642 28.738 -0.275 0.000 0.945 462 Q HN 0.458 nan 8.270 nan 0.000 0.461 463 S N 2.261 117.908 115.700 -0.088 0.000 2.480 463 S HA 0.340 4.809 4.470 -0.000 0.000 0.286 463 S C -2.442 172.181 174.600 0.037 0.000 1.180 463 S CA -1.367 56.843 58.200 0.017 0.000 1.075 463 S CB 0.984 64.188 63.200 0.006 0.000 0.996 463 S HN 0.070 nan 8.310 nan 0.000 0.487 464 P HA 0.213 nan 4.420 nan 0.000 0.271 464 P C -1.025 176.305 177.300 0.050 0.000 1.218 464 P CA -0.190 62.934 63.100 0.040 0.000 0.780 464 P CB 0.315 31.935 31.700 -0.133 0.000 0.901 465 F N 2.179 122.053 119.950 -0.127 0.000 2.579 465 F HA 0.662 5.189 4.527 -0.000 0.000 0.325 465 F C -0.356 175.411 175.800 -0.056 0.000 1.162 465 F CA 0.104 58.051 58.000 -0.088 0.000 0.946 465 F CB 1.731 40.694 39.000 -0.061 0.000 1.211 465 F HN 0.594 nan 8.300 nan 0.000 0.447 466 G N 2.290 110.691 108.800 -0.665 0.000 2.495 466 G HA2 0.553 4.513 3.960 -0.000 0.000 0.294 466 G HA3 0.553 4.513 3.960 -0.000 0.000 0.294 466 G C -1.569 173.083 174.900 -0.414 0.000 1.397 466 G CA -0.269 44.546 45.100 -0.475 0.000 0.790 466 G HN 0.978 nan 8.290 nan 0.000 0.486 467 G N -1.696 106.986 108.800 -0.197 0.000 2.600 467 G HA2 0.620 4.580 3.960 -0.000 0.000 0.303 467 G HA3 0.620 4.580 3.960 -0.000 0.000 0.303 467 G C -1.574 173.421 174.900 0.159 0.000 1.253 467 G CA -0.608 44.452 45.100 -0.067 0.000 0.974 467 G HN 0.381 nan 8.290 nan 0.000 0.483 468 Y N 0.418 120.665 120.300 -0.088 0.000 2.432 468 Y HA 0.457 5.007 4.550 -0.000 0.000 0.322 468 Y C 1.404 177.285 175.900 -0.032 0.000 1.246 468 Y CA -1.190 56.870 58.100 -0.066 0.000 1.268 468 Y CB 1.370 39.790 38.460 -0.067 0.000 1.276 468 Y HN 0.859 nan 8.280 nan 0.000 0.499 469 K N -0.456 119.997 120.400 0.088 0.000 1.931 469 K HA -0.310 4.010 4.320 -0.000 0.000 0.126 469 K C 0.579 177.198 176.600 0.031 0.000 1.372 469 K CA 1.797 58.105 56.287 0.034 0.000 0.483 469 K CB -1.039 31.486 32.500 0.042 0.000 0.562 469 K HN 0.609 nan 8.250 nan 0.000 0.923 470 M N 1.235 120.844 119.600 0.015 0.000 2.654 470 M HA 0.014 4.494 4.480 -0.000 0.000 0.217 470 M C 0.530 176.910 176.300 0.133 0.000 1.183 470 M CA 0.683 55.994 55.300 0.019 0.000 0.991 470 M CB -0.128 32.424 32.600 -0.080 0.000 1.749 470 M HN 0.328 nan 8.290 nan 0.000 0.475 471 S N 0.019 115.817 115.700 0.163 0.000 2.556 471 S HA 0.384 4.854 4.470 -0.000 0.000 0.216 471 S C 0.794 175.452 174.600 0.098 0.000 0.970 471 S CA 0.318 58.634 58.200 0.194 0.000 0.912 471 S CB 0.442 63.738 63.200 0.160 0.000 0.790 471 S HN 0.781 nan 8.310 nan 0.000 0.504 472 G N 1.248 110.094 108.800 0.078 0.000 2.408 472 G HA2 0.088 4.048 3.960 -0.000 0.000 0.682 472 G HA3 0.088 4.048 3.960 -0.000 0.000 0.682 472 G C -0.741 174.169 174.900 0.016 0.000 1.303 472 G CA -0.533 44.597 45.100 0.050 0.000 0.966 472 G HN 0.662 nan 8.290 nan 0.000 0.560 473 S N -0.907 114.795 115.700 0.004 0.000 2.599 473 S HA 1.040 5.510 4.470 -0.000 0.000 0.294 473 S C 0.585 175.167 174.600 -0.030 0.000 1.094 473 S CA 0.416 58.603 58.200 -0.022 0.000 0.931 473 S CB 1.644 64.828 63.200 -0.027 0.000 1.093 473 S HN 2.978 nan 8.310 nan 0.000 0.488 474 G N 1.150 109.922 108.800 -0.045 0.000 2.787 474 G HA2 0.039 3.999 3.960 -0.000 0.000 0.685 474 G HA3 0.039 3.999 3.960 -0.000 0.000 0.685 474 G C -1.141 173.729 174.900 -0.049 0.000 1.437 474 G CA -0.911 44.161 45.100 -0.048 0.000 0.872 474 G HN 0.765 nan 8.290 nan 0.000 0.566 475 R N 0.303 120.782 120.500 -0.034 0.000 2.888 475 R HA 0.702 5.042 4.340 -0.000 0.000 0.266 475 R C -0.077 176.240 176.300 0.028 0.000 1.020 475 R CA -0.737 55.345 56.100 -0.030 0.000 0.963 475 R CB 1.790 32.053 30.300 -0.062 0.000 1.197 475 R HN 0.773 nan 8.270 nan 0.000 0.481 476 E N 0.997 121.223 120.200 0.042 0.000 2.359 476 E HA 0.553 4.903 4.350 -0.000 0.000 0.266 476 E C -0.514 176.092 176.600 0.011 0.000 0.920 476 E CA -0.959 55.471 56.400 0.050 0.000 0.788 476 E CB 2.160 31.889 29.700 0.048 0.000 1.279 476 E HN 0.332 nan 8.360 nan 0.000 0.438 477 L N 0.058 121.300 121.223 0.032 0.000 0.585 477 L HA -0.264 4.076 4.340 -0.000 0.000 0.356 477 L C 0.572 177.563 176.870 0.201 0.000 0.995 477 L CA 0.905 55.784 54.840 0.064 0.000 1.223 477 L CB -1.158 40.750 42.059 -0.253 0.000 0.010 477 L HN 1.023 nan 8.230 nan 0.000 0.091 478 G N 0.579 109.503 108.800 0.207 0.000 2.804 478 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.230 478 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.230 478 G C 0.393 175.448 174.900 0.259 0.000 1.386 478 G CA 0.795 46.086 45.100 0.319 0.000 0.875 478 G HN 1.152 nan 8.290 nan 0.000 0.557 479 E N -0.973 119.276 120.200 0.082 0.000 2.204 479 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 479 E C 2.074 178.427 176.600 -0.412 0.000 0.990 479 E CA 1.850 57.974 56.400 -0.459 0.000 0.821 479 E CB -0.158 29.296 29.700 -0.411 0.000 0.750 479 E HN 0.636 nan 8.360 nan 0.000 0.477 480 Y N -0.472 119.779 120.300 -0.082 0.000 2.274 480 Y HA -0.065 4.485 4.550 -0.000 0.000 0.290 480 Y C 2.433 178.286 175.900 -0.077 0.000 1.145 480 Y CA 0.950 59.011 58.100 -0.064 0.000 1.203 480 Y CB -0.511 37.939 38.460 -0.017 0.000 0.984 480 Y HN 0.151 nan 8.280 nan 0.000 0.533 481 G N -0.120 108.753 108.800 0.120 0.000 2.471 481 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.219 481 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.219 481 G C 1.489 176.402 174.900 0.021 0.000 1.125 481 G CA 0.680 45.842 45.100 0.104 0.000 0.775 481 G HN 0.381 nan 8.290 nan 0.000 0.548 482 L N -0.456 120.641 121.223 -0.210 0.000 2.240 482 L HA -0.003 4.337 4.340 -0.000 0.000 0.211 482 L C 2.978 179.657 176.870 -0.317 0.000 1.106 482 L CA 0.551 55.141 54.840 -0.416 0.000 0.793 482 L CB -0.383 41.007 42.059 -1.115 0.000 0.927 482 L HN 0.248 nan 8.230 nan 0.000 0.446 483 Q N 0.422 120.089 119.800 -0.221 0.000 2.124 483 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 483 Q C 2.454 178.403 176.000 -0.084 0.000 0.977 483 Q CA 1.629 57.388 55.803 -0.073 0.000 0.850 483 Q CB -0.296 28.439 28.738 -0.006 0.000 0.901 483 Q HN 0.554 nan 8.270 nan 0.000 0.429 484 A N -0.001 122.741 122.820 -0.129 0.000 2.015 484 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 484 A C 0.924 178.252 177.584 -0.427 0.000 1.163 484 A CA 0.971 52.838 52.037 -0.284 0.000 0.646 484 A CB -0.331 18.440 19.000 -0.382 0.000 0.806 484 A HN 0.422 nan 8.150 nan 0.000 0.448 485 Y N -0.258 119.996 120.300 -0.077 0.000 2.658 485 Y HA 0.274 4.824 4.550 -0.000 0.000 0.276 485 Y C 0.245 176.130 175.900 -0.025 0.000 1.167 485 Y CA -0.020 58.047 58.100 -0.056 0.000 1.230 485 Y CB 0.460 38.875 38.460 -0.075 0.000 1.144 485 Y HN 0.043 nan 8.280 nan 0.000 0.529 486 T N 0.646 115.233 114.554 0.054 0.000 2.893 486 T HA 0.385 4.734 4.350 -0.000 0.000 0.293 486 T C -0.631 174.075 174.700 0.011 0.000 1.027 486 T CA -0.951 61.190 62.100 0.067 0.000 0.988 486 T CB 1.721 70.646 68.868 0.095 0.000 1.043 486 T HN -0.044 nan 8.240 nan 0.000 0.461 487 K N 1.826 122.250 120.400 0.040 0.000 2.221 487 K HA 0.668 4.988 4.320 -0.000 0.000 0.258 487 K C -1.026 175.588 176.600 0.023 0.000 0.944 487 K CA -0.777 55.524 56.287 0.024 0.000 0.823 487 K CB 2.068 34.602 32.500 0.057 0.000 1.113 487 K HN 0.261 nan 8.250 nan 0.000 0.431 488 V N 3.880 123.795 119.914 0.002 0.000 2.350 488 V HA 0.215 4.335 4.120 -0.000 0.000 0.276 488 V C -0.096 176.019 176.094 0.034 0.000 1.028 488 V CA -0.623 61.702 62.300 0.041 0.000 0.860 488 V CB 1.074 32.905 31.823 0.014 0.000 0.990 488 V HN 0.627 nan 8.190 nan 0.000 0.453 489 K N 3.256 123.685 120.400 0.047 0.000 2.159 489 K HA 0.568 4.888 4.320 -0.000 0.000 0.266 489 K C -0.571 175.991 176.600 -0.064 0.000 0.975 489 K CA -0.337 55.946 56.287 -0.007 0.000 0.865 489 K CB 1.455 33.957 32.500 0.003 0.000 1.087 489 K HN 0.646 nan 8.250 nan 0.000 0.446 490 T N 3.007 117.489 114.554 -0.120 0.000 2.779 490 T HA 0.339 4.689 4.350 -0.000 0.000 0.280 490 T C -1.046 173.462 174.700 -0.319 0.000 0.987 490 T CA -0.569 61.405 62.100 -0.210 0.000 0.966 490 T CB 1.240 70.013 68.868 -0.158 0.000 0.933 490 T HN 0.302 nan 8.240 nan 0.000 0.442 491 V N 3.901 123.458 119.914 -0.594 0.000 2.409 491 V HA 0.501 4.621 4.120 -0.000 0.000 0.291 491 V C 0.095 175.810 176.094 -0.632 0.000 1.020 491 V CA -0.698 61.210 62.300 -0.654 0.000 0.848 491 V CB 1.858 33.103 31.823 -0.963 0.000 0.990 491 V HN 0.928 nan 8.190 nan 0.000 0.430 492 T N 4.611 118.966 114.554 -0.332 0.000 2.833 492 T HA 0.517 4.866 4.350 -0.000 0.000 0.297 492 T C -0.356 174.324 174.700 -0.033 0.000 1.015 492 T CA -0.295 61.684 62.100 -0.202 0.000 0.963 492 T CB 1.314 70.061 68.868 -0.202 0.000 0.955 492 T HN 0.344 nan 8.240 nan 0.000 0.449 493 V N 4.060 124.019 119.914 0.076 0.000 2.435 493 V HA 0.438 4.557 4.120 -0.000 0.000 0.290 493 V C 0.461 176.749 176.094 0.324 0.000 1.030 493 V CA -1.105 61.315 62.300 0.200 0.000 0.881 493 V CB 1.657 33.627 31.823 0.244 0.000 0.983 493 V HN 0.716 nan 8.190 nan 0.000 0.445 494 K N 3.976 124.536 120.400 0.267 0.000 2.368 494 K HA 0.475 4.795 4.320 -0.000 0.000 0.282 494 K C -0.517 176.091 176.600 0.013 0.000 1.035 494 K CA -0.281 56.063 56.287 0.094 0.000 0.973 494 K CB 0.969 33.515 32.500 0.076 0.000 0.957 494 K HN 0.662 nan 8.250 nan 0.000 0.474 495 V N 1.963 121.819 119.914 -0.097 0.000 2.960 495 V HA 0.425 4.545 4.120 -0.000 0.000 0.315 495 V C -2.093 173.941 176.094 -0.100 0.000 1.087 495 V CA -1.951 60.321 62.300 -0.047 0.000 0.982 495 V CB 1.251 33.075 31.823 0.002 0.000 1.039 495 V HN 0.693 nan 8.190 nan 0.000 0.437 496 P HA -0.085 nan 4.420 nan 0.000 0.213 496 P C 0.037 177.290 177.300 -0.079 0.000 1.170 496 P CA 1.350 64.411 63.100 -0.065 0.000 0.902 496 P CB 0.134 31.808 31.700 -0.044 0.000 0.789 497 Q N -1.116 118.642 119.800 -0.070 0.000 2.334 497 Q HA 0.180 4.520 4.340 -0.000 0.000 0.249 497 Q C -1.030 174.938 176.000 -0.054 0.000 0.909 497 Q CA -0.715 55.049 55.803 -0.065 0.000 0.823 497 Q CB 1.131 29.841 28.738 -0.047 0.000 1.353 497 Q HN -0.166 nan 8.270 nan 0.000 0.433 498 K N 3.595 123.964 120.400 -0.052 0.000 2.298 498 K HA 0.278 4.598 4.320 -0.000 0.000 0.280 498 K C -0.987 175.603 176.600 -0.016 0.000 1.032 498 K CA 0.121 56.393 56.287 -0.024 0.000 0.958 498 K CB 0.647 33.148 32.500 0.002 0.000 0.978 498 K HN 0.662 nan 8.250 nan 0.000 0.472 499 N N 1.298 119.989 118.700 -0.015 0.000 2.242 499 N HA 0.093 4.832 4.740 -0.000 0.000 0.292 499 N C -0.799 174.706 175.510 -0.008 0.000 1.125 499 N CA -0.508 52.534 53.050 -0.013 0.000 0.783 499 N CB 1.997 40.470 38.487 -0.022 0.000 1.558 499 N HN 0.738 nan 8.380 nan 0.000 0.472 500 S N 0.000 115.698 115.700 -0.003 0.000 2.498 500 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 500 S CA 0.000 58.201 58.200 0.001 0.000 1.107 500 S CB 0.000 63.202 63.200 0.003 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517