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_C 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 0.000 177.569 177.584 -0.025 0.000 1.274 7 A CA 0.000 52.047 52.037 0.017 0.000 0.836 7 A CB 0.000 19.028 19.000 0.046 0.000 0.831 8 V N 2.669 122.533 119.914 -0.084 0.000 2.409 8 V HA 0.535 4.711 4.120 0.093 0.000 0.291 8 V C -1.837 174.142 176.094 -0.192 0.000 1.020 8 V CA -1.436 60.700 62.300 -0.274 0.000 0.848 8 V CB 1.493 33.183 31.823 -0.222 0.000 0.990 8 V HN 0.600 nan 8.190 nan 0.000 0.430 9 P HA 0.252 nan 4.420 nan 0.000 0.269 9 P C -0.264 177.043 177.300 0.012 0.000 1.215 9 P CA -0.194 62.855 63.100 -0.086 0.000 0.780 9 P CB 0.808 32.473 31.700 -0.057 0.000 0.898 10 A N 4.322 127.140 122.820 -0.003 0.000 2.524 10 A HA 0.313 4.689 4.320 0.093 0.000 0.250 10 A C -1.559 175.962 177.584 -0.105 0.000 1.078 10 A CA -0.719 51.293 52.037 -0.041 0.000 0.761 10 A CB -1.123 17.852 19.000 -0.042 0.000 1.012 10 A HN 0.471 nan 8.150 nan 0.000 0.500 11 P HA 0.179 nan 4.420 nan 0.000 0.282 11 P C -0.885 176.229 177.300 -0.310 0.000 1.259 11 P CA -0.767 62.050 63.100 -0.472 0.000 0.826 11 P CB 0.882 31.879 31.700 -1.172 0.000 1.064 12 N N 1.583 120.145 118.700 -0.230 0.000 2.469 12 N HA 0.031 4.827 4.740 0.093 0.000 0.239 12 N C 0.856 176.103 175.510 -0.438 0.000 1.053 12 N CA 0.045 52.964 53.050 -0.219 0.000 0.937 12 N CB 0.296 38.747 38.487 -0.061 0.000 1.163 12 N HN 0.241 nan 8.380 nan 0.000 0.509 13 Q N 1.693 121.085 119.800 -0.680 0.000 2.561 13 Q HA -0.086 4.310 4.340 0.093 0.000 0.217 13 Q C -0.242 175.318 176.000 -0.734 0.000 0.980 13 Q CA 0.928 55.981 55.803 -1.249 0.000 0.927 13 Q CB 0.162 28.330 28.738 -0.950 0.000 0.980 13 Q HN 0.643 nan 8.270 nan 0.000 0.525 14 Q N 0.782 120.354 119.800 -0.381 0.000 3.394 14 Q HA 0.222 4.617 4.340 0.093 0.000 0.285 14 Q C -2.478 173.453 176.000 -0.116 0.000 0.866 14 Q CA -1.386 54.295 55.803 -0.204 0.000 0.844 14 Q CB 1.398 30.038 28.738 -0.164 0.000 1.472 14 Q HN 0.116 nan 8.270 nan 0.000 0.401 15 P HA -0.064 nan 4.420 nan 0.000 0.268 15 P C -0.341 176.971 177.300 0.021 0.000 1.205 15 P CA 0.128 63.255 63.100 0.046 0.000 0.771 15 P CB 1.081 32.784 31.700 0.005 0.000 0.858 16 E N 1.331 121.554 120.200 0.038 0.000 2.366 16 E HA 0.238 4.644 4.350 0.093 0.000 0.266 16 E C -0.805 175.592 176.600 -0.339 0.000 1.051 16 E CA -0.690 55.558 56.400 -0.254 0.000 0.884 16 E CB 0.781 30.195 29.700 -0.477 0.000 1.006 16 E HN 0.159 nan 8.360 nan 0.000 0.417 17 V N 5.742 125.405 119.914 -0.419 0.000 2.370 17 V HA 0.148 4.324 4.120 0.093 0.000 0.283 17 V C -0.095 175.745 176.094 -0.423 0.000 1.023 17 V CA -0.185 61.961 62.300 -0.257 0.000 0.857 17 V CB 0.864 32.598 31.823 -0.148 0.000 0.985 17 V HN 0.698 nan 8.190 nan 0.000 0.443 18 F N 1.734 121.708 119.950 0.041 0.000 2.622 18 F HA 0.245 4.828 4.527 0.093 0.000 0.288 18 F C 0.979 176.671 175.800 -0.180 0.000 1.120 18 F CA -0.114 57.872 58.000 -0.024 0.000 1.423 18 F CB 0.286 39.329 39.000 0.072 0.000 1.127 18 F HN 0.376 nan 8.300 nan 0.000 0.588 19 C N 2.096 121.385 119.300 -0.017 0.000 2.340 19 C HA 0.473 4.989 4.460 0.093 0.000 0.323 19 C C 0.307 175.100 174.990 -0.328 0.000 1.260 19 C CA -0.865 57.878 59.018 -0.459 0.000 1.464 19 C CB 0.502 27.927 27.740 -0.524 0.000 2.156 19 C HN 0.540 nan 8.230 nan 0.000 0.476 20 N N 1.053 119.520 118.700 -0.390 0.000 2.361 20 N HA 0.059 4.854 4.740 0.093 0.000 0.253 20 N C -0.496 174.941 175.510 -0.122 0.000 1.413 20 N CA -0.278 52.649 53.050 -0.204 0.000 0.821 20 N CB 0.015 38.391 38.487 -0.185 0.000 1.380 20 N HN 0.803 nan 8.380 nan 0.000 0.493 21 Q N -0.043 119.715 119.800 -0.071 0.000 2.962 21 Q HA 0.582 4.978 4.340 0.093 0.000 0.282 21 Q C -0.416 175.874 176.000 0.482 0.000 1.058 21 Q CA -0.990 54.931 55.803 0.198 0.000 0.854 21 Q CB 1.898 30.785 28.738 0.247 0.000 1.441 21 Q HN 0.111 nan 8.270 nan 0.000 0.497 22 I N 1.229 122.070 120.570 0.452 0.000 2.395 22 I HA 0.165 4.391 4.170 0.093 0.000 0.289 22 I C -0.762 175.608 176.117 0.421 0.000 1.023 22 I CA -0.135 61.408 61.300 0.406 0.000 1.350 22 I CB 0.413 38.581 38.000 0.280 0.000 1.409 22 I HN 0.379 nan 8.210 nan 0.000 0.507 23 F N 8.161 128.158 119.950 0.079 0.000 2.361 23 F HA 0.615 5.198 4.527 0.093 0.000 0.364 23 F C -0.495 175.213 175.800 -0.153 0.000 1.120 23 F CA -0.329 57.476 58.000 -0.325 0.000 1.102 23 F CB 0.409 39.074 39.000 -0.558 0.000 1.183 23 F HN 0.189 nan 8.300 nan 0.000 0.476 24 I N 5.410 125.743 120.570 -0.396 0.000 2.656 24 I HA 0.197 4.423 4.170 0.093 0.000 0.292 24 I C -0.316 175.587 176.117 -0.357 0.000 1.144 24 I CA -1.089 60.078 61.300 -0.221 0.000 1.038 24 I CB 1.909 39.900 38.000 -0.014 0.000 1.244 24 I HN 0.494 nan 8.210 nan 0.000 0.420 25 N N 4.561 123.078 118.700 -0.305 0.000 2.716 25 N HA -0.251 4.545 4.740 0.093 0.000 0.250 25 N C 0.128 175.382 175.510 -0.427 0.000 1.033 25 N CA 1.356 54.250 53.050 -0.260 0.000 0.727 25 N CB -0.965 37.450 38.487 -0.120 0.000 0.950 25 N HN 0.935 nan 8.380 nan 0.000 0.541 26 N N -1.714 116.497 118.700 -0.815 0.000 2.753 26 N HA -0.223 4.572 4.740 0.093 0.000 0.251 26 N C -1.071 173.888 175.510 -0.919 0.000 1.097 26 N CA 1.200 53.708 53.050 -0.904 0.000 0.786 26 N CB -0.262 38.053 38.487 -0.286 0.000 1.137 26 N HN 0.543 nan 8.380 nan 0.000 0.566 27 E N -0.544 119.024 120.200 -1.053 0.000 2.312 27 E HA 0.288 4.694 4.350 0.093 0.000 0.267 27 E C -0.815 175.130 176.600 -1.091 0.000 0.894 27 E CA -0.568 55.322 56.400 -0.850 0.000 0.773 27 E CB 1.026 30.368 29.700 -0.596 0.000 1.241 27 E HN 0.129 nan 8.360 nan 0.000 0.432 28 W N 1.810 122.808 121.300 -0.503 0.000 2.338 28 W HA 0.251 4.967 4.660 0.093 0.000 0.307 28 W C 0.513 176.763 176.519 -0.448 0.000 1.167 28 W CA -0.262 56.897 57.345 -0.310 0.000 1.208 28 W CB 0.805 30.217 29.460 -0.080 0.000 1.228 28 W HN 0.301 nan 8.180 nan 0.000 0.499 29 H N 1.379 120.607 119.070 0.264 0.000 2.865 29 H HA 0.268 4.880 4.556 0.093 0.000 0.372 29 H C -0.968 174.456 175.328 0.160 0.000 1.173 29 H CA -0.916 55.222 56.048 0.150 0.000 1.147 29 H CB 1.858 31.662 29.762 0.070 0.000 1.805 29 H HN 0.211 nan 8.280 nan 0.000 0.553 30 D N 0.110 120.657 120.400 0.245 0.000 2.340 30 D HA 0.412 5.108 4.640 0.093 0.000 0.251 30 D C 0.178 176.567 176.300 0.148 0.000 1.080 30 D CA -0.403 53.694 54.000 0.162 0.000 0.971 30 D CB 1.084 41.952 40.800 0.113 0.000 1.137 30 D HN 0.647 nan 8.370 nan 0.000 0.475 31 A N 0.510 123.405 122.820 0.124 0.000 2.466 31 A HA 0.101 4.477 4.320 0.093 0.000 0.238 31 A C 1.490 179.124 177.584 0.083 0.000 1.074 31 A CA -0.392 51.711 52.037 0.109 0.000 0.774 31 A CB 0.259 19.329 19.000 0.117 0.000 1.015 31 A HN 0.447 nan 8.150 nan 0.000 0.498 32 V N 2.217 122.170 119.914 0.064 0.000 2.332 32 V HA -0.250 3.926 4.120 0.093 0.000 0.248 32 V C 2.797 178.922 176.094 0.052 0.000 1.055 32 V CA 2.819 65.146 62.300 0.046 0.000 1.038 32 V CB -0.838 31.005 31.823 0.034 0.000 0.651 32 V HN 1.152 nan 8.190 nan 0.000 0.450 33 S N -0.654 115.083 115.700 0.062 0.000 2.481 33 S HA -0.142 4.384 4.470 0.093 0.000 0.231 33 S C 1.524 176.163 174.600 0.065 0.000 0.996 33 S CA 0.973 59.210 58.200 0.062 0.000 0.942 33 S CB -0.211 63.032 63.200 0.073 0.000 0.768 33 S HN 0.486 nan 8.310 nan 0.000 0.520 34 R N 0.125 120.668 120.500 0.071 0.000 3.840 34 R HA -0.123 4.273 4.340 0.093 0.000 0.464 34 R C -0.616 175.728 176.300 0.073 0.000 0.986 34 R CA 1.425 57.566 56.100 0.067 0.000 1.305 34 R CB -2.292 28.040 30.300 0.054 0.000 1.950 34 R HN 0.611 nan 8.270 nan 0.000 0.526 35 K N 0.507 120.963 120.400 0.092 0.000 2.219 35 K HA 0.336 4.712 4.320 0.093 0.000 0.258 35 K C 0.241 176.917 176.600 0.126 0.000 1.008 35 K CA 0.761 57.116 56.287 0.114 0.000 0.928 35 K CB 0.818 33.404 32.500 0.143 0.000 0.983 35 K HN 0.333 nan 8.250 nan 0.000 0.484 36 T N -1.162 113.471 114.554 0.131 0.000 2.894 36 T HA 0.632 5.038 4.350 0.093 0.000 0.309 36 T C -0.918 173.888 174.700 0.177 0.000 1.208 36 T CA -1.074 61.078 62.100 0.087 0.000 1.016 36 T CB 0.705 69.559 68.868 -0.023 0.000 1.192 36 T HN 0.480 nan 8.240 nan 0.000 0.491 37 F N -0.267 119.709 119.950 0.044 0.000 2.563 37 F HA 0.905 5.487 4.527 0.093 0.000 0.316 37 F C -3.067 172.757 175.800 0.041 0.000 1.076 37 F CA -2.935 55.115 58.000 0.084 0.000 0.921 37 F CB 1.504 40.559 39.000 0.093 0.000 1.209 37 F HN 0.414 nan 8.300 nan 0.000 0.462 38 P HA 0.216 nan 4.420 nan 0.000 0.284 38 P C -1.006 176.377 177.300 0.138 0.000 1.258 38 P CA -0.240 62.885 63.100 0.041 0.000 0.824 38 P CB 1.982 33.727 31.700 0.076 0.000 1.038 39 T N 0.912 115.479 114.554 0.021 0.000 2.807 39 T HA 0.430 4.836 4.350 0.093 0.000 0.279 39 T C -0.606 174.120 174.700 0.043 0.000 0.993 39 T CA -0.531 61.615 62.100 0.077 0.000 0.970 39 T CB 0.371 69.256 68.868 0.028 0.000 0.950 39 T HN 0.072 nan 8.240 nan 0.000 0.441 40 V N 5.357 125.306 119.914 0.059 0.000 2.612 40 V HA 0.441 4.617 4.120 0.093 0.000 0.301 40 V C 0.572 176.681 176.094 0.025 0.000 1.046 40 V CA -1.096 61.231 62.300 0.045 0.000 0.946 40 V CB 1.615 33.488 31.823 0.083 0.000 1.003 40 V HN 0.957 nan 8.190 nan 0.000 0.459 41 N N 4.901 123.605 118.700 0.006 0.000 2.469 41 N HA 0.232 5.028 4.740 0.093 0.000 0.239 41 N C -1.425 174.057 175.510 -0.046 0.000 1.053 41 N CA -1.509 51.535 53.050 -0.011 0.000 0.937 41 N CB 1.277 39.761 38.487 -0.004 0.000 1.163 41 N HN 0.435 nan 8.380 nan 0.000 0.509 42 P HA -0.110 nan 4.420 nan 0.000 0.223 42 P C 0.493 177.590 177.300 -0.337 0.000 1.144 42 P CA 0.987 64.030 63.100 -0.096 0.000 0.783 42 P CB 0.366 32.048 31.700 -0.030 0.000 0.771 43 S N -0.655 114.932 115.700 -0.188 0.000 2.470 43 S HA -0.027 4.499 4.470 0.093 0.000 0.225 43 S C 1.807 176.407 174.600 0.001 0.000 1.006 43 S CA 1.697 59.861 58.200 -0.059 0.000 0.934 43 S CB -0.498 62.769 63.200 0.111 0.000 0.778 43 S HN 0.458 nan 8.310 nan 0.000 0.517 44 T N -3.376 111.118 114.554 -0.100 0.000 2.958 44 T HA 0.464 4.870 4.350 0.093 0.000 0.256 44 T C 1.486 176.081 174.700 -0.175 0.000 0.983 44 T CA 0.777 62.819 62.100 -0.096 0.000 0.924 44 T CB 0.421 69.263 68.868 -0.044 0.000 1.136 44 T HN 0.459 nan 8.240 nan 0.000 0.506 45 G N 1.760 110.414 108.800 -0.243 0.000 2.179 45 G HA2 -0.213 3.803 3.960 0.093 0.000 0.260 45 G HA3 -0.213 3.803 3.960 0.093 0.000 0.260 45 G C -0.155 174.707 174.900 -0.063 0.000 0.977 45 G CA 0.182 45.154 45.100 -0.213 0.000 0.641 45 G HN 0.638 nan 8.290 nan 0.000 0.533 46 E N 0.071 120.238 120.200 -0.054 0.000 2.319 46 E HA 0.471 4.877 4.350 0.093 0.000 0.268 46 E C 0.496 177.089 176.600 -0.011 0.000 1.050 46 E CA -0.693 55.691 56.400 -0.027 0.000 0.878 46 E CB 1.998 31.679 29.700 -0.032 0.000 1.066 46 E HN 0.118 nan 8.360 nan 0.000 0.406 47 V N 3.534 123.444 119.914 -0.007 0.000 2.521 47 V HA -0.005 4.171 4.120 0.093 0.000 0.286 47 V C 1.602 177.683 176.094 -0.023 0.000 1.034 47 V CA 0.326 62.623 62.300 -0.005 0.000 1.045 47 V CB 0.283 32.104 31.823 -0.004 0.000 0.974 47 V HN 0.611 nan 8.190 nan 0.000 0.480 48 I N 4.016 124.570 120.570 -0.026 0.000 2.296 48 I HA 0.027 4.253 4.170 0.093 0.000 0.242 48 I C 0.984 177.063 176.117 -0.062 0.000 1.087 48 I CA 1.278 62.554 61.300 -0.041 0.000 1.393 48 I CB 0.153 38.132 38.000 -0.036 0.000 1.093 48 I HN 0.870 nan 8.210 nan 0.000 0.421 49 C N -2.100 117.155 119.300 -0.075 0.000 3.211 49 C HA 0.563 5.079 4.460 0.093 0.000 0.350 49 C C -0.857 174.053 174.990 -0.134 0.000 1.413 49 C CA -1.103 57.855 59.018 -0.100 0.000 1.203 49 C CB 1.114 28.784 27.740 -0.117 0.000 1.506 49 C HN 0.239 nan 8.230 nan 0.000 0.448 50 Q N 0.223 119.931 119.800 -0.153 0.000 2.222 50 Q HA 0.839 5.234 4.340 0.093 0.000 0.252 50 Q C -0.954 174.859 176.000 -0.310 0.000 0.926 50 Q CA -0.319 55.359 55.803 -0.207 0.000 0.899 50 Q CB 1.697 30.361 28.738 -0.123 0.000 1.250 50 Q HN 0.807 nan 8.270 nan 0.000 0.441 51 V N 1.999 121.583 119.914 -0.549 0.000 2.841 51 V HA 0.717 4.893 4.120 0.093 0.000 0.310 51 V C -0.716 175.095 176.094 -0.472 0.000 1.090 51 V CA -1.075 60.872 62.300 -0.588 0.000 0.930 51 V CB 1.870 33.166 31.823 -0.878 0.000 1.014 51 V HN 0.982 nan 8.190 nan 0.000 0.425 52 A N 2.713 125.443 122.820 -0.150 0.000 2.565 52 A HA 0.176 4.552 4.320 0.093 0.000 0.237 52 A C 0.366 178.061 177.584 0.185 0.000 1.053 52 A CA 0.392 52.449 52.037 0.033 0.000 0.755 52 A CB -0.069 18.993 19.000 0.102 0.000 0.980 52 A HN 0.899 nan 8.150 nan 0.000 0.506 53 E N 2.723 123.072 120.200 0.249 0.000 2.079 53 E HA 0.390 4.795 4.350 0.093 0.000 0.252 53 E C 0.654 177.367 176.600 0.188 0.000 0.992 53 E CA -0.317 56.273 56.400 0.317 0.000 0.829 53 E CB 0.218 30.135 29.700 0.361 0.000 1.158 53 E HN 0.857 nan 8.360 nan 0.000 0.435 54 G N 2.955 111.849 108.800 0.158 0.000 2.554 54 G HA2 0.048 4.063 3.960 0.093 0.000 0.238 54 G HA3 0.048 4.063 3.960 0.093 0.000 0.238 54 G C -0.255 174.708 174.900 0.105 0.000 1.259 54 G CA -0.110 45.063 45.100 0.122 0.000 0.843 54 G HN 0.572 nan 8.290 nan 0.000 0.582 55 D N -0.794 119.663 120.400 0.095 0.000 2.812 55 D HA 0.173 4.868 4.640 0.093 0.000 0.318 55 D C 1.253 177.600 176.300 0.077 0.000 1.234 55 D CA -0.803 53.250 54.000 0.089 0.000 0.989 55 D CB 1.466 42.320 40.800 0.089 0.000 1.442 55 D HN 0.278 nan 8.370 nan 0.000 0.537 56 K N 0.154 120.595 120.400 0.069 0.000 2.107 56 K HA -0.198 4.177 4.320 0.093 0.000 0.211 56 K C 1.406 178.047 176.600 0.069 0.000 1.049 56 K CA 1.724 58.052 56.287 0.067 0.000 0.927 56 K CB 0.130 32.658 32.500 0.047 0.000 0.714 56 K HN 0.296 nan 8.250 nan 0.000 0.452 57 E N 0.698 120.932 120.200 0.056 0.000 2.110 57 E HA -0.187 4.218 4.350 0.093 0.000 0.193 57 E C 1.673 178.299 176.600 0.043 0.000 0.988 57 E CA 1.206 57.634 56.400 0.046 0.000 0.804 57 E CB -0.162 29.560 29.700 0.036 0.000 0.745 57 E HN 0.530 nan 8.360 nan 0.000 0.458 58 D N 0.601 121.031 120.400 0.050 0.000 2.149 58 D HA -0.071 4.625 4.640 0.093 0.000 0.201 58 D C 2.130 178.456 176.300 0.043 0.000 0.972 58 D CA 0.581 54.606 54.000 0.043 0.000 0.835 58 D CB 0.186 41.026 40.800 0.067 0.000 0.966 58 D HN 0.013 nan 8.370 nan 0.000 0.476 59 V N 1.969 121.921 119.914 0.062 0.000 2.427 59 V HA -0.201 3.975 4.120 0.093 0.000 0.248 59 V C 1.911 178.036 176.094 0.051 0.000 1.051 59 V CA 1.624 63.960 62.300 0.060 0.000 1.048 59 V CB -0.345 31.535 31.823 0.095 0.000 0.666 59 V HN 0.022 nan 8.190 nan 0.000 0.456 60 D N 0.023 120.484 120.400 0.102 0.000 2.117 60 D HA -0.160 4.536 4.640 0.093 0.000 0.197 60 D C 2.263 178.592 176.300 0.048 0.000 0.987 60 D CA 1.248 55.335 54.000 0.145 0.000 0.829 60 D CB -0.167 40.717 40.800 0.139 0.000 0.961 60 D HN 0.404 nan 8.370 nan 0.000 0.460 61 K N 0.439 120.846 120.400 0.012 0.000 2.057 61 K HA -0.007 4.369 4.320 0.093 0.000 0.206 61 K C 2.116 178.690 176.600 -0.044 0.000 1.050 61 K CA 1.015 57.284 56.287 -0.029 0.000 0.935 61 K CB -0.034 32.426 32.500 -0.068 0.000 0.715 61 K HN 0.017 nan 8.250 nan 0.000 0.439 62 A N 0.945 123.743 122.820 -0.036 0.000 1.858 62 A HA -0.141 4.235 4.320 0.093 0.000 0.216 62 A C 2.352 179.894 177.584 -0.069 0.000 1.190 62 A CA 1.538 53.550 52.037 -0.041 0.000 0.617 62 A CB -0.783 18.207 19.000 -0.016 0.000 0.827 62 A HN 0.068 nan 8.150 nan 0.000 0.443 63 V N 0.262 120.104 119.914 -0.120 0.000 2.332 63 V HA -0.305 3.871 4.120 0.093 0.000 0.248 63 V C 2.478 178.508 176.094 -0.106 0.000 1.055 63 V CA 2.428 64.612 62.300 -0.193 0.000 1.038 63 V CB -0.725 30.796 31.823 -0.504 0.000 0.651 63 V HN 0.545 nan 8.190 nan 0.000 0.450 64 K N 0.043 120.408 120.400 -0.059 0.000 2.063 64 K HA -0.160 4.216 4.320 0.093 0.000 0.208 64 K C 2.314 178.909 176.600 -0.009 0.000 1.048 64 K CA 1.514 57.793 56.287 -0.013 0.000 0.928 64 K CB -0.415 32.087 32.500 0.004 0.000 0.713 64 K HN 0.493 nan 8.250 nan 0.000 0.442 65 A N 1.523 124.328 122.820 -0.025 0.000 1.877 65 A HA -0.119 4.257 4.320 0.093 0.000 0.216 65 A C 2.384 179.965 177.584 -0.005 0.000 1.186 65 A CA 1.837 53.861 52.037 -0.022 0.000 0.620 65 A CB -0.720 18.251 19.000 -0.048 0.000 0.822 65 A HN 0.336 nan 8.150 nan 0.000 0.443 66 A N -0.073 122.736 122.820 -0.018 0.000 1.865 66 A HA -0.202 4.174 4.320 0.093 0.000 0.217 66 A C 2.186 179.808 177.584 0.062 0.000 1.191 66 A CA 2.338 54.373 52.037 -0.002 0.000 0.623 66 A CB -0.515 18.460 19.000 -0.041 0.000 0.826 66 A HN 0.462 nan 8.150 nan 0.000 0.444 67 R N 0.245 120.770 120.500 0.042 0.000 2.105 67 R HA -0.082 4.314 4.340 0.093 0.000 0.239 67 R C 2.052 178.445 176.300 0.155 0.000 1.135 67 R CA 2.061 58.221 56.100 0.100 0.000 0.967 67 R CB -0.901 29.433 30.300 0.057 0.000 0.861 67 R HN 0.423 nan 8.270 nan 0.000 0.442 68 A N -0.072 122.808 122.820 0.100 0.000 1.929 68 A HA 0.087 4.463 4.320 0.093 0.000 0.216 68 A C 2.289 179.946 177.584 0.122 0.000 1.176 68 A CA 1.412 53.505 52.037 0.094 0.000 0.628 68 A CB -0.857 18.175 19.000 0.053 0.000 0.816 68 A HN 0.451 nan 8.150 nan 0.000 0.444 69 A N -2.071 120.827 122.820 0.131 0.000 2.121 69 A HA 0.070 4.446 4.320 0.093 0.000 0.218 69 A C 1.700 179.455 177.584 0.285 0.000 1.154 69 A CA 1.215 53.347 52.037 0.158 0.000 0.679 69 A CB -0.544 18.508 19.000 0.087 0.000 0.795 69 A HN 0.606 nan 8.150 nan 0.000 0.458 70 F N 0.006 120.039 119.950 0.139 0.000 2.727 70 F HA 0.222 4.804 4.527 0.091 0.000 0.302 70 F C 0.629 176.505 175.800 0.126 0.000 1.097 70 F CA -0.233 57.874 58.000 0.178 0.000 1.330 70 F CB 0.223 39.313 39.000 0.150 0.000 1.084 70 F HN 0.067 nan 8.300 nan 0.000 0.578 71 Q N 1.789 121.654 119.800 0.109 0.000 2.330 71 Q HA 0.046 4.442 4.340 0.093 0.000 0.279 71 Q C -0.227 175.735 176.000 -0.062 0.000 1.024 71 Q CA -0.147 55.674 55.803 0.031 0.000 0.900 71 Q CB 0.813 29.589 28.738 0.063 0.000 1.221 71 Q HN 0.254 nan 8.270 nan 0.000 0.396 72 L N 1.961 123.134 121.223 -0.083 0.000 2.640 72 L HA 0.039 4.435 4.340 0.093 0.000 0.280 72 L C 1.279 178.121 176.870 -0.047 0.000 1.229 72 L CA 2.290 57.075 54.840 -0.091 0.000 0.919 72 L CB -0.062 41.965 42.059 -0.053 0.000 1.168 72 L HN 0.938 nan 8.230 nan 0.000 0.496 73 G N 1.832 110.602 108.800 -0.051 0.000 2.194 73 G HA2 -0.268 3.747 3.960 0.093 0.000 0.236 73 G HA3 -0.268 3.747 3.960 0.093 0.000 0.236 73 G C 0.340 175.237 174.900 -0.005 0.000 0.987 73 G CA 0.289 45.375 45.100 -0.023 0.000 0.635 73 G HN 1.104 nan 8.290 nan 0.000 0.520 74 S N 0.636 116.338 115.700 0.003 0.000 2.600 74 S HA 0.555 5.081 4.470 0.093 0.000 0.265 74 S C -0.652 173.991 174.600 0.071 0.000 1.325 74 S CA -0.231 57.998 58.200 0.048 0.000 1.002 74 S CB 1.842 65.092 63.200 0.083 0.000 0.921 74 S HN 0.013 nan 8.310 nan 0.000 0.554 75 P HA -0.112 nan 4.420 nan 0.000 0.216 75 P C 1.247 178.669 177.300 0.203 0.000 1.153 75 P CA 1.211 64.387 63.100 0.127 0.000 0.858 75 P CB -0.096 31.687 31.700 0.139 0.000 0.789 76 W N 0.068 121.390 121.300 0.038 0.000 2.402 76 W HA -0.131 4.586 4.660 0.095 0.000 0.286 76 W C 1.631 178.166 176.519 0.026 0.000 1.221 76 W CA 0.680 58.062 57.345 0.061 0.000 1.257 76 W CB -0.053 29.470 29.460 0.106 0.000 1.120 76 W HN -0.144 nan 8.180 nan 0.000 0.551 77 R N 0.251 120.740 120.500 -0.019 0.000 2.093 77 R HA -0.013 4.383 4.340 0.093 0.000 0.224 77 R C 2.103 178.310 176.300 -0.156 0.000 1.101 77 R CA 0.875 56.862 56.100 -0.187 0.000 0.979 77 R CB -0.683 29.494 30.300 -0.205 0.000 0.877 77 R HN 0.289 nan 8.270 nan 0.000 0.441 78 R N -0.114 120.335 120.500 -0.084 0.000 2.161 78 R HA 0.147 4.543 4.340 0.093 0.000 0.213 78 R C 1.141 177.395 176.300 -0.076 0.000 1.055 78 R CA -0.151 55.908 56.100 -0.068 0.000 0.996 78 R CB -0.068 30.210 30.300 -0.036 0.000 0.901 78 R HN 0.119 nan 8.270 nan 0.000 0.456 79 M N 2.348 121.901 119.600 -0.078 0.000 2.240 79 M HA -0.085 4.450 4.480 0.093 0.000 0.346 79 M C -0.713 175.533 176.300 -0.090 0.000 1.236 79 M CA 0.572 55.833 55.300 -0.066 0.000 0.986 79 M CB 0.460 33.042 32.600 -0.029 0.000 1.786 79 M HN -0.057 nan 8.290 nan 0.000 0.457 80 D N 4.089 124.461 120.400 -0.048 0.000 2.443 80 D HA 0.093 4.789 4.640 0.093 0.000 0.239 80 D C 0.839 177.125 176.300 -0.022 0.000 1.136 80 D CA 0.540 54.522 54.000 -0.031 0.000 0.879 80 D CB 1.116 41.909 40.800 -0.012 0.000 1.195 80 D HN 0.767 nan 8.370 nan 0.000 0.443 81 A N 2.492 125.290 122.820 -0.036 0.000 1.948 81 A HA -0.235 4.141 4.320 0.093 0.000 0.220 81 A C 2.148 179.734 177.584 0.004 0.000 1.177 81 A CA 2.259 54.276 52.037 -0.034 0.000 0.636 81 A CB -0.573 18.424 19.000 -0.005 0.000 0.815 81 A HN 0.598 nan 8.150 nan 0.000 0.449 82 S N -1.181 114.535 115.700 0.026 0.000 2.399 82 S HA -0.260 4.266 4.470 0.093 0.000 0.231 82 S C 1.901 176.538 174.600 0.061 0.000 1.022 82 S CA 1.672 59.895 58.200 0.038 0.000 0.983 82 S CB -0.685 62.537 63.200 0.038 0.000 0.803 82 S HN 0.715 nan 8.310 nan 0.000 0.480 83 H N 1.672 120.719 119.070 -0.038 0.000 2.423 83 H HA 0.201 4.812 4.556 0.092 0.000 0.297 83 H C 2.294 177.598 175.328 -0.040 0.000 1.075 83 H CA 1.638 57.661 56.048 -0.041 0.000 1.342 83 H CB -0.121 29.612 29.762 -0.048 0.000 1.395 83 H HN 0.408 nan 8.280 nan 0.000 0.530 84 R N -0.849 119.620 120.500 -0.052 0.000 2.096 84 R HA -0.061 4.335 4.340 0.093 0.000 0.235 84 R C 2.508 178.818 176.300 0.016 0.000 1.127 84 R CA 1.026 57.106 56.100 -0.034 0.000 0.968 84 R CB -0.421 29.832 30.300 -0.079 0.000 0.861 84 R HN 0.395 nan 8.270 nan 0.000 0.440 85 G N 1.082 109.888 108.800 0.010 0.000 2.408 85 G HA2 -0.216 3.800 3.960 0.093 0.000 0.217 85 G HA3 -0.216 3.800 3.960 0.093 0.000 0.217 85 G C 1.447 176.339 174.900 -0.013 0.000 1.150 85 G CA 0.106 45.226 45.100 0.034 0.000 0.776 85 G HN 0.098 nan 8.290 nan 0.000 0.542 86 R N 0.217 120.660 120.500 -0.094 0.000 2.081 86 R HA 0.064 4.460 4.340 0.093 0.000 0.235 86 R C 2.625 178.818 176.300 -0.178 0.000 1.131 86 R CA 0.606 56.625 56.100 -0.135 0.000 0.960 86 R CB -1.073 29.107 30.300 -0.200 0.000 0.856 86 R HN 0.395 nan 8.270 nan 0.000 0.436 87 L N 0.379 121.410 121.223 -0.319 0.000 2.017 87 L HA -0.162 4.234 4.340 0.093 0.000 0.208 87 L C 2.515 179.374 176.870 -0.017 0.000 1.073 87 L CA 1.135 55.727 54.840 -0.413 0.000 0.745 87 L CB -0.492 40.972 42.059 -0.992 0.000 0.894 87 L HN 0.131 nan 8.230 nan 0.000 0.432 88 L N -0.331 120.994 121.223 0.171 0.000 2.083 88 L HA -0.208 4.188 4.340 0.093 0.000 0.209 88 L C 2.350 179.330 176.870 0.183 0.000 1.083 88 L CA 0.949 55.974 54.840 0.308 0.000 0.752 88 L CB -0.494 41.734 42.059 0.282 0.000 0.899 88 L HN 0.355 nan 8.230 nan 0.000 0.433 89 N N -0.251 118.511 118.700 0.102 0.000 2.270 89 N HA -0.171 4.625 4.740 0.093 0.000 0.181 89 N C 1.941 177.494 175.510 0.072 0.000 1.016 89 N CA 0.798 53.894 53.050 0.077 0.000 0.870 89 N CB -0.122 38.390 38.487 0.041 0.000 0.979 89 N HN 0.154 nan 8.380 nan 0.000 0.431 90 R N 1.317 121.852 120.500 0.059 0.000 2.066 90 R HA 0.007 4.402 4.340 0.093 0.000 0.232 90 R C 2.011 178.372 176.300 0.102 0.000 1.131 90 R CA 0.770 56.905 56.100 0.057 0.000 0.955 90 R CB -1.040 29.268 30.300 0.015 0.000 0.851 90 R HN 0.154 nan 8.270 nan 0.000 0.432 91 L N 0.424 121.748 121.223 0.168 0.000 2.079 91 L HA -0.011 4.385 4.340 0.093 0.000 0.210 91 L C 2.036 178.975 176.870 0.116 0.000 1.081 91 L CA 2.277 57.220 54.840 0.171 0.000 0.752 91 L CB -1.062 41.135 42.059 0.230 0.000 0.896 91 L HN 0.274 nan 8.230 nan 0.000 0.433 92 A N -0.977 121.912 122.820 0.115 0.000 1.930 92 A HA -0.186 4.189 4.320 0.093 0.000 0.217 92 A C 1.979 179.611 177.584 0.081 0.000 1.175 92 A CA 1.728 53.822 52.037 0.096 0.000 0.627 92 A CB -0.710 18.350 19.000 0.100 0.000 0.815 92 A HN 0.539 nan 8.150 nan 0.000 0.443 93 D N 0.161 120.606 120.400 0.076 0.000 2.117 93 D HA -0.090 4.606 4.640 0.093 0.000 0.198 93 D C 1.976 178.319 176.300 0.072 0.000 0.982 93 D CA 0.930 54.969 54.000 0.066 0.000 0.828 93 D CB -0.319 40.515 40.800 0.057 0.000 0.967 93 D HN 0.451 nan 8.370 nan 0.000 0.464 94 L N 0.461 121.731 121.223 0.078 0.000 2.046 94 L HA -0.117 4.279 4.340 0.093 0.000 0.208 94 L C 2.535 179.470 176.870 0.108 0.000 1.077 94 L CA 0.711 55.602 54.840 0.084 0.000 0.747 94 L CB -0.294 41.809 42.059 0.074 0.000 0.896 94 L HN -0.001 nan 8.230 nan 0.000 0.432 95 I N -0.226 120.407 120.570 0.105 0.000 2.252 95 I HA -0.285 3.941 4.170 0.093 0.000 0.245 95 I C 2.601 178.777 176.117 0.098 0.000 1.102 95 I CA 1.259 62.630 61.300 0.118 0.000 1.385 95 I CB -0.190 37.865 38.000 0.092 0.000 1.064 95 I HN 0.312 nan 8.210 nan 0.000 0.414 96 E N 1.152 121.396 120.200 0.074 0.000 2.110 96 E HA -0.269 4.136 4.350 0.093 0.000 0.193 96 E C 2.387 179.036 176.600 0.081 0.000 0.988 96 E CA 0.943 57.377 56.400 0.056 0.000 0.804 96 E CB 0.003 29.732 29.700 0.048 0.000 0.745 96 E HN 0.271 nan 8.360 nan 0.000 0.458 97 R N 0.434 120.989 120.500 0.092 0.000 2.083 97 R HA -0.140 4.256 4.340 0.093 0.000 0.237 97 R C 0.487 176.862 176.300 0.125 0.000 1.137 97 R CA 1.871 58.030 56.100 0.097 0.000 0.951 97 R CB -0.043 30.308 30.300 0.084 0.000 0.851 97 R HN 0.127 nan 8.270 nan 0.000 0.434 98 D N -0.015 120.479 120.400 0.157 0.000 2.434 98 D HA 0.007 4.703 4.640 0.093 0.000 0.232 98 D C 1.170 177.604 176.300 0.224 0.000 1.166 98 D CA 0.020 54.145 54.000 0.209 0.000 0.830 98 D CB 0.164 41.142 40.800 0.298 0.000 0.960 98 D HN 0.269 nan 8.370 nan 0.000 0.497 99 R N 0.428 121.028 120.500 0.167 0.000 2.083 99 R HA -0.143 4.253 4.340 0.093 0.000 0.237 99 R C 1.487 177.927 176.300 0.233 0.000 1.137 99 R CA 1.687 57.854 56.100 0.112 0.000 0.951 99 R CB -0.113 30.178 30.300 -0.014 0.000 0.851 99 R HN -0.008 nan 8.270 nan 0.000 0.434 100 T N 0.055 114.837 114.554 0.381 0.000 2.746 100 T HA -0.210 4.196 4.350 0.093 0.000 0.267 100 T C 1.367 176.306 174.700 0.399 0.000 1.039 100 T CA 1.609 64.006 62.100 0.496 0.000 1.142 100 T CB -0.530 68.567 68.868 0.381 0.000 0.866 100 T HN 0.411 nan 8.240 nan 0.000 0.444 101 Y N 1.856 122.257 120.300 0.168 0.000 2.089 101 Y HA -0.044 4.562 4.550 0.093 0.000 0.282 101 Y C 2.081 178.025 175.900 0.074 0.000 1.139 101 Y CA 1.023 59.173 58.100 0.082 0.000 1.123 101 Y CB -0.730 37.716 38.460 -0.023 0.000 0.980 101 Y HN 0.077 nan 8.280 nan 0.000 0.493 102 L N 0.076 121.248 121.223 -0.085 0.000 2.043 102 L HA -0.299 4.096 4.340 0.093 0.000 0.212 102 L C 2.771 179.605 176.870 -0.060 0.000 1.075 102 L CA 1.391 56.132 54.840 -0.165 0.000 0.752 102 L CB -0.975 41.104 42.059 0.034 0.000 0.891 102 L HN 0.441 nan 8.230 nan 0.000 0.432 103 A N -0.365 122.508 122.820 0.090 0.000 1.933 103 A HA -0.157 4.219 4.320 0.093 0.000 0.218 103 A C 2.495 180.239 177.584 0.267 0.000 1.175 103 A CA 1.692 53.818 52.037 0.149 0.000 0.628 103 A CB -0.631 18.489 19.000 0.199 0.000 0.814 103 A HN 0.429 nan 8.150 nan 0.000 0.444 104 A N -0.554 122.478 122.820 0.353 0.000 1.898 104 A HA 0.014 4.390 4.320 0.093 0.000 0.216 104 A C 2.106 179.790 177.584 0.167 0.000 1.181 104 A CA 1.643 53.902 52.037 0.371 0.000 0.620 104 A CB -0.607 18.533 19.000 0.233 0.000 0.819 104 A HN 0.672 nan 8.150 nan 0.000 0.442 105 L N 0.013 121.173 121.223 -0.105 0.000 2.083 105 L HA -0.123 4.273 4.340 0.093 0.000 0.209 105 L C 2.196 179.023 176.870 -0.071 0.000 1.083 105 L CA 2.696 57.432 54.840 -0.173 0.000 0.752 105 L CB -0.639 41.141 42.059 -0.464 0.000 0.899 105 L HN 0.518 nan 8.230 nan 0.000 0.433 106 E N -1.040 119.126 120.200 -0.056 0.000 2.051 106 E HA -0.192 4.214 4.350 0.093 0.000 0.192 106 E C 2.031 178.597 176.600 -0.057 0.000 0.991 106 E CA 2.014 58.389 56.400 -0.042 0.000 0.799 106 E CB -0.355 29.325 29.700 -0.032 0.000 0.748 106 E HN 0.478 nan 8.360 nan 0.000 0.449 107 T N 0.677 115.189 114.554 -0.071 0.000 2.746 107 T HA -0.127 4.278 4.350 0.093 0.000 0.267 107 T C 1.681 176.286 174.700 -0.158 0.000 1.039 107 T CA 1.129 63.108 62.100 -0.203 0.000 1.142 107 T CB -0.341 68.251 68.868 -0.461 0.000 0.866 107 T HN 0.122 nan 8.240 nan 0.000 0.444 108 L N 1.302 122.532 121.223 0.011 0.000 2.012 108 L HA -0.091 4.305 4.340 0.093 0.000 0.210 108 L C 2.064 178.945 176.870 0.019 0.000 1.073 108 L CA 1.911 56.816 54.840 0.109 0.000 0.748 108 L CB -0.458 41.692 42.059 0.151 0.000 0.891 108 L HN 0.088 nan 8.230 nan 0.000 0.431 109 D N -1.540 118.856 120.400 -0.008 0.000 2.183 109 D HA -0.151 4.545 4.640 0.093 0.000 0.205 109 D C 1.916 178.197 176.300 -0.032 0.000 0.962 109 D CA 0.861 54.853 54.000 -0.013 0.000 0.849 109 D CB 0.002 40.800 40.800 -0.003 0.000 0.978 109 D HN 0.441 nan 8.370 nan 0.000 0.488 110 N N -0.697 117.971 118.700 -0.053 0.000 2.436 110 N HA -0.028 4.768 4.740 0.093 0.000 0.178 110 N C 1.380 176.817 175.510 -0.121 0.000 1.026 110 N CA 1.703 54.709 53.050 -0.073 0.000 0.880 110 N CB 0.844 39.289 38.487 -0.071 0.000 1.061 110 N HN 0.265 nan 8.380 nan 0.000 0.434 111 G N 1.378 110.094 108.800 -0.141 0.000 2.238 111 G HA2 -0.249 3.767 3.960 0.093 0.000 0.217 111 G HA3 -0.249 3.767 3.960 0.093 0.000 0.217 111 G C -0.055 174.734 174.900 -0.185 0.000 0.996 111 G CA 0.349 45.345 45.100 -0.172 0.000 0.632 111 G HN 0.684 nan 8.290 nan 0.000 0.503 112 K N 1.149 121.432 120.400 -0.194 0.000 2.380 112 K HA 0.463 4.839 4.320 0.093 0.000 0.267 112 K C -2.667 173.831 176.600 -0.170 0.000 0.990 112 K CA -1.196 54.973 56.287 -0.197 0.000 0.946 112 K CB 0.472 32.824 32.500 -0.246 0.000 0.937 112 K HN 0.081 nan 8.250 nan 0.000 0.491 113 P HA -0.114 nan 4.420 nan 0.000 0.265 113 P C -0.265 176.997 177.300 -0.063 0.000 1.193 113 P CA -0.036 63.018 63.100 -0.077 0.000 0.765 113 P CB 0.140 31.834 31.700 -0.010 0.000 0.823 114 Y N 4.650 124.828 120.300 -0.203 0.000 2.151 114 Y HA -0.269 4.338 4.550 0.094 0.000 0.284 114 Y C 1.911 177.831 175.900 0.033 0.000 1.166 114 Y CA 1.832 59.860 58.100 -0.119 0.000 1.163 114 Y CB -0.978 37.438 38.460 -0.074 0.000 0.974 114 Y HN 0.084 nan 8.280 nan 0.000 0.511 115 V N 0.410 120.282 119.914 -0.070 0.000 2.287 115 V HA -0.348 3.828 4.120 0.093 0.000 0.248 115 V C 2.401 178.465 176.094 -0.049 0.000 1.053 115 V CA 1.948 64.188 62.300 -0.100 0.000 1.027 115 V CB -0.695 31.149 31.823 0.035 0.000 0.646 115 V HN 0.442 nan 8.190 nan 0.000 0.447 116 I N -0.256 120.317 120.570 0.004 0.000 2.252 116 I HA -0.155 4.071 4.170 0.093 0.000 0.245 116 I C 2.599 178.736 176.117 0.033 0.000 1.102 116 I CA 1.523 62.866 61.300 0.072 0.000 1.385 116 I CB -1.483 36.576 38.000 0.099 0.000 1.064 116 I HN 0.267 nan 8.210 nan 0.000 0.414 117 S N -0.086 115.587 115.700 -0.045 0.000 2.383 117 S HA -0.228 4.298 4.470 0.093 0.000 0.229 117 S C 2.009 176.568 174.600 -0.068 0.000 1.030 117 S CA 1.341 59.510 58.200 -0.052 0.000 1.002 117 S CB -0.412 62.751 63.200 -0.062 0.000 0.829 117 S HN 0.469 nan 8.310 nan 0.000 0.467 118 Y N 1.567 121.694 120.300 -0.288 0.000 2.176 118 Y HA 0.096 4.702 4.550 0.094 0.000 0.291 118 Y C 1.887 177.723 175.900 -0.106 0.000 1.122 118 Y CA 1.265 59.212 58.100 -0.255 0.000 1.128 118 Y CB -0.180 37.985 38.460 -0.491 0.000 1.005 118 Y HN 0.103 nan 8.280 nan 0.000 0.509 119 L N -1.200 120.091 121.223 0.114 0.000 2.240 119 L HA -0.092 4.303 4.340 0.093 0.000 0.211 119 L C 1.637 178.537 176.870 0.050 0.000 1.106 119 L CA 0.505 55.403 54.840 0.096 0.000 0.793 119 L CB -0.285 41.853 42.059 0.132 0.000 0.927 119 L HN 0.185 nan 8.230 nan 0.000 0.446 120 V N -1.084 118.872 119.914 0.071 0.000 2.784 120 V HA -0.037 4.139 4.120 0.093 0.000 0.231 120 V C 1.668 177.814 176.094 0.086 0.000 1.128 120 V CA 0.800 63.168 62.300 0.114 0.000 1.178 120 V CB -0.283 31.683 31.823 0.239 0.000 0.943 120 V HN 0.157 nan 8.190 nan 0.000 0.500 121 D N 0.921 121.379 120.400 0.097 0.000 2.103 121 D HA -0.211 4.485 4.640 0.093 0.000 0.190 121 D C 1.947 178.244 176.300 -0.004 0.000 0.997 121 D CA 1.647 55.682 54.000 0.060 0.000 0.833 121 D CB -0.338 40.501 40.800 0.065 0.000 0.961 121 D HN 0.206 nan 8.370 nan 0.000 0.447 122 L N 0.158 121.351 121.223 -0.050 0.000 2.141 122 L HA -0.120 4.276 4.340 0.093 0.000 0.209 122 L C 1.850 178.675 176.870 -0.075 0.000 1.094 122 L CA 1.277 56.067 54.840 -0.084 0.000 0.763 122 L CB -0.320 41.639 42.059 -0.167 0.000 0.908 122 L HN 0.006 nan 8.230 nan 0.000 0.437 123 D N -0.629 119.724 120.400 -0.078 0.000 2.117 123 D HA -0.214 4.481 4.640 0.093 0.000 0.197 123 D C 2.243 178.555 176.300 0.020 0.000 0.987 123 D CA 1.396 55.374 54.000 -0.037 0.000 0.829 123 D CB 0.062 40.850 40.800 -0.020 0.000 0.961 123 D HN 0.200 nan 8.370 nan 0.000 0.460 124 M N -0.410 119.212 119.600 0.036 0.000 2.229 124 M HA -0.088 4.447 4.480 0.093 0.000 0.264 124 M C 2.105 178.463 176.300 0.097 0.000 1.063 124 M CA 0.584 55.930 55.300 0.077 0.000 1.114 124 M CB 0.075 32.718 32.600 0.072 0.000 1.387 124 M HN 0.014 nan 8.290 nan 0.000 0.420 125 V N 0.880 120.824 119.914 0.050 0.000 2.358 125 V HA -0.231 3.945 4.120 0.093 0.000 0.246 125 V C 2.292 178.446 176.094 0.099 0.000 1.047 125 V CA 1.457 63.796 62.300 0.065 0.000 1.035 125 V CB -0.607 31.230 31.823 0.023 0.000 0.658 125 V HN 0.450 nan 8.190 nan 0.000 0.452 126 L N -0.498 120.768 121.223 0.071 0.000 2.056 126 L HA -0.178 4.218 4.340 0.093 0.000 0.207 126 L C 2.564 179.503 176.870 0.114 0.000 1.078 126 L CA 1.692 56.580 54.840 0.081 0.000 0.749 126 L CB -0.652 41.435 42.059 0.046 0.000 0.901 126 L HN 0.260 nan 8.230 nan 0.000 0.433 127 K N -0.832 119.636 120.400 0.114 0.000 2.148 127 K HA -0.181 4.195 4.320 0.093 0.000 0.204 127 K C 2.276 178.997 176.600 0.202 0.000 1.050 127 K CA 1.350 57.718 56.287 0.134 0.000 0.942 127 K CB -0.341 32.221 32.500 0.103 0.000 0.724 127 K HN 0.382 nan 8.250 nan 0.000 0.446 128 C N 1.012 120.457 119.300 0.241 0.000 2.462 128 C HA -0.021 4.495 4.460 0.093 0.000 0.278 128 C C 2.396 177.644 174.990 0.429 0.000 1.253 128 C CA 0.512 59.749 59.018 0.364 0.000 1.713 128 C CB -0.840 27.159 27.740 0.432 0.000 2.049 128 C HN 0.384 nan 8.230 nan 0.000 0.477 129 L N 0.263 121.669 121.223 0.306 0.000 2.093 129 L HA -0.076 4.320 4.340 0.093 0.000 0.208 129 L C 2.930 179.952 176.870 0.252 0.000 1.085 129 L CA 1.521 56.528 54.840 0.279 0.000 0.755 129 L CB -0.720 41.452 42.059 0.188 0.000 0.904 129 L HN 0.302 nan 8.230 nan 0.000 0.435 130 R N -1.240 119.381 120.500 0.201 0.000 2.148 130 R HA -0.185 4.211 4.340 0.093 0.000 0.227 130 R C 2.237 178.615 176.300 0.130 0.000 1.103 130 R CA 1.294 57.480 56.100 0.144 0.000 0.983 130 R CB -0.310 30.057 30.300 0.112 0.000 0.874 130 R HN 0.290 nan 8.270 nan 0.000 0.451 131 Y N -0.256 120.076 120.300 0.053 0.000 2.184 131 Y HA -0.216 4.386 4.550 0.087 0.000 0.290 131 Y C 1.517 177.374 175.900 -0.072 0.000 1.129 131 Y CA 1.402 59.467 58.100 -0.058 0.000 1.144 131 Y CB -0.320 38.073 38.460 -0.111 0.000 0.995 131 Y HN -0.016 nan 8.280 nan 0.000 0.513 132 Y N -0.217 120.176 120.300 0.155 0.000 2.352 132 Y HA -0.089 4.516 4.550 0.093 0.000 0.292 132 Y C 2.579 178.523 175.900 0.074 0.000 1.136 132 Y CA 0.822 58.998 58.100 0.127 0.000 1.227 132 Y CB -0.550 38.028 38.460 0.197 0.000 0.991 132 Y HN 0.270 nan 8.280 nan 0.000 0.545 133 A N 0.104 123.029 122.820 0.176 0.000 1.940 133 A HA -0.174 4.202 4.320 0.093 0.000 0.219 133 A C 2.516 180.115 177.584 0.024 0.000 1.176 133 A CA 1.821 53.927 52.037 0.116 0.000 0.631 133 A CB -1.407 17.648 19.000 0.091 0.000 0.814 133 A HN 0.467 nan 8.150 nan 0.000 0.446 134 G N -2.512 106.229 108.800 -0.100 0.000 2.471 134 G HA2 -0.188 3.828 3.960 0.093 0.000 0.219 134 G HA3 -0.188 3.828 3.960 0.093 0.000 0.219 134 G C 1.307 176.050 174.900 -0.262 0.000 1.125 134 G CA 0.654 45.618 45.100 -0.227 0.000 0.775 134 G HN 0.681 nan 8.290 nan 0.000 0.548 135 W N 0.565 121.743 121.300 -0.203 0.000 2.770 135 W HA 0.322 5.008 4.660 0.043 0.000 0.256 135 W C 2.713 179.204 176.519 -0.047 0.000 1.291 135 W CA 0.154 57.406 57.345 -0.156 0.000 1.396 135 W CB 0.318 29.673 29.460 -0.175 0.000 1.114 135 W HN 0.243 nan 8.180 nan 0.000 0.637 136 A N 1.268 124.217 122.820 0.214 0.000 1.940 136 A HA -0.309 4.067 4.320 0.093 0.000 0.221 136 A C 1.334 178.987 177.584 0.115 0.000 1.190 136 A CA 2.530 54.658 52.037 0.150 0.000 0.647 136 A CB -0.860 18.199 19.000 0.098 0.000 0.821 136 A HN 0.373 nan 8.150 nan 0.000 0.457 137 D N -2.377 118.071 120.400 0.080 0.000 2.593 137 D HA 0.208 4.904 4.640 0.093 0.000 0.241 137 D C 0.490 176.805 176.300 0.025 0.000 1.257 137 D CA -0.034 53.997 54.000 0.052 0.000 0.828 137 D CB 0.011 40.830 40.800 0.032 0.000 1.049 137 D HN 0.506 nan 8.370 nan 0.000 0.490 138 K N -0.494 119.936 120.400 0.050 0.000 2.483 138 K HA 0.054 4.430 4.320 0.093 0.000 0.206 138 K C -0.494 175.999 176.600 -0.179 0.000 1.086 138 K CA -0.527 55.691 56.287 -0.115 0.000 1.052 138 K CB 0.846 33.298 32.500 -0.079 0.000 0.904 138 K HN -0.025 nan 8.250 nan 0.000 0.557 139 Y N 2.960 123.201 120.300 -0.098 0.000 2.691 139 Y HA 0.162 4.759 4.550 0.077 0.000 0.338 139 Y C -0.421 175.382 175.900 -0.162 0.000 1.148 139 Y CA -1.413 56.646 58.100 -0.068 0.000 1.430 139 Y CB -0.834 37.637 38.460 0.020 0.000 1.303 139 Y HN 0.085 nan 8.280 nan 0.000 0.499 140 H N 1.322 120.341 119.070 -0.085 0.000 2.690 140 H HA 0.465 5.058 4.556 0.061 0.000 0.365 140 H C 0.868 175.831 175.328 -0.609 0.000 1.142 140 H CA 0.217 56.120 56.048 -0.242 0.000 1.417 140 H CB 0.831 30.527 29.762 -0.109 0.000 1.446 140 H HN 0.721 nan 8.280 nan 0.000 0.599 141 G N 0.386 108.947 108.800 -0.398 0.000 2.531 141 G HA2 0.475 4.491 3.960 0.093 0.000 0.281 141 G HA3 0.475 4.491 3.960 0.093 0.000 0.281 141 G C -0.777 174.000 174.900 -0.205 0.000 1.382 141 G CA -0.908 43.856 45.100 -0.559 0.000 1.045 141 G HN 0.541 nan 8.290 nan 0.000 0.533 142 K N -0.815 119.526 120.400 -0.097 0.000 2.395 142 K HA 0.563 4.938 4.320 0.093 0.000 0.247 142 K C -1.025 175.605 176.600 0.051 0.000 0.973 142 K CA -0.713 55.564 56.287 -0.016 0.000 0.828 142 K CB 2.118 34.616 32.500 -0.003 0.000 1.272 142 K HN 0.573 nan 8.250 nan 0.000 0.439 143 T N -0.839 113.760 114.554 0.076 0.000 2.788 143 T HA 0.542 4.948 4.350 0.093 0.000 0.296 143 T C -0.071 174.699 174.700 0.116 0.000 1.009 143 T CA -0.719 61.472 62.100 0.151 0.000 0.949 143 T CB -0.163 68.843 68.868 0.231 0.000 0.946 143 T HN 0.363 nan 8.240 nan 0.000 0.453 144 I N 5.368 125.994 120.570 0.094 0.000 2.359 144 I HA 0.340 4.566 4.170 0.093 0.000 0.294 144 I C -1.775 174.401 176.117 0.099 0.000 0.987 144 I CA -2.756 58.587 61.300 0.070 0.000 1.225 144 I CB 2.045 40.062 38.000 0.028 0.000 1.366 144 I HN 0.454 nan 8.210 nan 0.000 0.466 145 P HA 0.139 nan 4.420 nan 0.000 0.230 145 P C -0.066 177.285 177.300 0.085 0.000 1.791 145 P CA 0.061 63.217 63.100 0.094 0.000 1.020 145 P CB 0.085 31.826 31.700 0.069 0.000 1.977 146 I N 0.883 121.514 120.570 0.101 0.000 2.882 146 I HA 0.088 4.314 4.170 0.093 0.000 0.286 146 I C 0.113 176.310 176.117 0.133 0.000 1.139 146 I CA -0.107 61.249 61.300 0.095 0.000 1.379 146 I CB 0.667 38.715 38.000 0.080 0.000 1.410 146 I HN 0.003 nan 8.210 nan 0.000 0.594 147 D N 4.658 125.130 120.400 0.119 0.000 2.382 147 D HA 0.464 5.159 4.640 0.093 0.000 0.240 147 D C 0.347 176.800 176.300 0.253 0.000 1.146 147 D CA 1.189 55.270 54.000 0.136 0.000 0.897 147 D CB 0.989 41.847 40.800 0.097 0.000 1.197 147 D HN 0.987 nan 8.370 nan 0.000 0.432 148 G N 1.501 110.408 108.800 0.177 0.000 2.757 148 G HA2 -0.180 3.835 3.960 0.093 0.000 0.638 148 G HA3 -0.180 3.835 3.960 0.093 0.000 0.638 148 G C -0.842 174.000 174.900 -0.097 0.000 1.344 148 G CA -0.782 44.392 45.100 0.124 0.000 0.855 148 G HN 0.511 nan 8.290 nan 0.000 0.537 149 D N 0.969 121.055 120.400 -0.523 0.000 2.551 149 D HA 0.476 5.171 4.640 0.093 0.000 0.223 149 D C -0.091 175.685 176.300 -0.873 0.000 1.144 149 D CA 1.002 54.678 54.000 -0.539 0.000 1.025 149 D CB -0.401 40.151 40.800 -0.414 0.000 1.085 149 D HN 0.274 nan 8.370 nan 0.000 0.506 150 F N 0.481 120.479 119.950 0.080 0.000 2.626 150 F HA 0.401 4.983 4.527 0.091 0.000 0.311 150 F C -0.456 175.466 175.800 0.204 0.000 1.088 150 F CA -1.468 56.598 58.000 0.111 0.000 0.949 150 F CB 1.799 40.836 39.000 0.062 0.000 1.322 150 F HN -0.110 nan 8.300 nan 0.000 0.461 151 F N 2.059 122.158 119.950 0.249 0.000 2.403 151 F HA 0.656 5.237 4.527 0.089 0.000 0.355 151 F C -0.714 175.214 175.800 0.213 0.000 1.119 151 F CA -1.117 56.998 58.000 0.192 0.000 1.007 151 F CB 1.202 40.303 39.000 0.169 0.000 1.194 151 F HN 0.256 nan 8.300 nan 0.000 0.443 152 S N 6.832 122.506 115.700 -0.043 0.000 2.473 152 S HA 0.793 5.319 4.470 0.093 0.000 0.307 152 S C -1.332 173.119 174.600 -0.248 0.000 1.094 152 S CA -0.276 57.785 58.200 -0.231 0.000 1.070 152 S CB 0.584 63.735 63.200 -0.082 0.000 1.019 152 S HN 0.687 nan 8.310 nan 0.000 0.480 153 Y N 0.281 120.331 120.300 -0.417 0.000 2.689 153 Y HA 0.824 5.426 4.550 0.088 0.000 0.333 153 Y C -0.565 175.228 175.900 -0.179 0.000 1.190 153 Y CA -1.075 56.849 58.100 -0.293 0.000 1.063 153 Y CB 0.939 39.171 38.460 -0.381 0.000 1.294 153 Y HN 0.529 nan 8.280 nan 0.000 0.466 154 T N -0.552 114.031 114.554 0.048 0.000 2.876 154 T HA 0.738 5.143 4.350 0.093 0.000 0.289 154 T C -1.026 173.718 174.700 0.073 0.000 1.014 154 T CA -1.074 61.025 62.100 -0.003 0.000 0.986 154 T CB 2.023 70.900 68.868 0.015 0.000 1.021 154 T HN 0.823 nan 8.240 nan 0.000 0.458 155 R N 0.828 121.377 120.500 0.082 0.000 2.562 155 R HA 0.393 4.789 4.340 0.093 0.000 0.298 155 R C -0.575 175.838 176.300 0.189 0.000 0.961 155 R CA -0.763 55.396 56.100 0.099 0.000 0.881 155 R CB 1.386 31.753 30.300 0.112 0.000 1.159 155 R HN 0.731 nan 8.270 nan 0.000 0.450 156 H N 1.981 121.053 119.070 0.003 0.000 2.741 156 H HA 0.147 4.752 4.556 0.083 0.000 0.282 156 H C -0.389 174.986 175.328 0.078 0.000 1.122 156 H CA -0.399 55.658 56.048 0.016 0.000 1.293 156 H CB 1.070 30.791 29.762 -0.069 0.000 1.415 156 H HN 0.359 nan 8.280 nan 0.000 0.472 157 E N 4.165 124.480 120.200 0.191 0.000 2.250 157 E HA 0.226 4.632 4.350 0.093 0.000 0.269 157 E C -2.409 174.310 176.600 0.198 0.000 1.018 157 E CA -2.245 54.256 56.400 0.169 0.000 0.873 157 E CB 1.194 30.977 29.700 0.140 0.000 1.134 157 E HN 0.388 nan 8.360 nan 0.000 0.403 158 P HA -0.060 nan 4.420 nan 0.000 0.272 158 P C 0.473 177.923 177.300 0.250 0.000 1.223 158 P CA -0.038 63.239 63.100 0.296 0.000 0.784 158 P CB 0.707 32.686 31.700 0.465 0.000 0.923 159 V N 1.494 121.500 119.914 0.152 0.000 2.667 159 V HA 0.104 4.280 4.120 0.093 0.000 0.252 159 V C 1.064 177.111 176.094 -0.079 0.000 1.065 159 V CA 2.565 64.896 62.300 0.053 0.000 1.083 159 V CB -1.059 30.775 31.823 0.018 0.000 0.692 159 V HN 0.975 nan 8.190 nan 0.000 0.468 160 G N -0.842 107.788 108.800 -0.284 0.000 2.348 160 G HA2 -0.130 3.886 3.960 0.093 0.000 0.199 160 G HA3 -0.130 3.886 3.960 0.093 0.000 0.199 160 G C -0.509 174.007 174.900 -0.641 0.000 1.235 160 G CA -0.214 44.323 45.100 -0.939 0.000 1.264 160 G HN 0.469 nan 8.290 nan 0.000 0.543 161 V N 1.146 120.802 119.914 -0.431 0.000 2.389 161 V HA 0.426 4.601 4.120 0.093 0.000 0.264 161 V C 0.393 176.424 176.094 -0.105 0.000 1.049 161 V CA -0.240 61.928 62.300 -0.220 0.000 0.932 161 V CB 0.389 32.109 31.823 -0.171 0.000 1.011 161 V HN 0.819 nan 8.190 nan 0.000 0.475 162 C N 4.814 124.093 119.300 -0.036 0.000 2.273 162 C HA 0.674 5.190 4.460 0.093 0.000 0.328 162 C C 1.073 176.086 174.990 0.038 0.000 1.275 162 C CA -0.920 58.123 59.018 0.043 0.000 1.704 162 C CB 0.283 28.130 27.740 0.179 0.000 2.326 162 C HN 1.000 nan 8.230 nan 0.000 0.517 163 G N 3.146 111.969 108.800 0.038 0.000 2.333 163 G HA2 0.497 4.513 3.960 0.093 0.000 0.290 163 G HA3 0.497 4.513 3.960 0.093 0.000 0.290 163 G C -0.713 174.236 174.900 0.082 0.000 1.150 163 G CA -0.129 44.997 45.100 0.044 0.000 0.895 163 G HN 0.815 nan 8.290 nan 0.000 0.444 164 Q N 1.863 121.711 119.800 0.079 0.000 2.327 164 Q HA 0.409 4.805 4.340 0.093 0.000 0.270 164 Q C -0.703 175.352 176.000 0.092 0.000 1.022 164 Q CA -0.393 55.466 55.803 0.095 0.000 0.773 164 Q CB 2.576 31.360 28.738 0.076 0.000 1.251 164 Q HN 0.529 nan 8.270 nan 0.000 0.457 165 I N 4.897 125.542 120.570 0.125 0.000 2.355 165 I HA 0.428 4.654 4.170 0.093 0.000 0.288 165 I C -0.100 176.041 176.117 0.039 0.000 0.999 165 I CA -0.777 60.606 61.300 0.138 0.000 1.163 165 I CB 0.859 39.038 38.000 0.297 0.000 1.316 165 I HN 0.530 nan 8.210 nan 0.000 0.454 166 I N 5.730 126.308 120.570 0.013 0.000 2.693 166 I HA 0.741 4.967 4.170 0.093 0.000 0.303 166 I C -2.599 173.480 176.117 -0.062 0.000 1.025 166 I CA -2.171 59.096 61.300 -0.055 0.000 1.086 166 I CB 2.048 40.034 38.000 -0.024 0.000 1.268 166 I HN 0.234 nan 8.210 nan 0.000 0.440 167 P HA 0.151 nan 4.420 nan 0.000 0.302 167 P C -0.221 177.017 177.300 -0.103 0.000 1.307 167 P CA -0.142 62.825 63.100 -0.222 0.000 0.754 167 P CB 0.579 32.020 31.700 -0.433 0.000 1.298 168 W N -0.082 121.231 121.300 0.021 0.000 3.103 168 W HA 0.081 4.798 4.660 0.095 0.000 0.325 168 W C 0.896 177.382 176.519 -0.055 0.000 1.170 168 W CA 0.055 57.398 57.345 -0.003 0.000 1.712 168 W CB -1.390 28.072 29.460 0.004 0.000 1.068 168 W HN 0.188 nan 8.180 nan 0.000 0.592 169 N N 2.118 120.726 118.700 -0.153 0.000 2.244 169 N HA -0.178 4.618 4.740 0.093 0.000 0.183 169 N C -0.126 175.050 175.510 -0.557 0.000 1.016 169 N CA 0.909 53.818 53.050 -0.235 0.000 0.866 169 N CB -1.085 37.160 38.487 -0.404 0.000 0.980 169 N HN 0.114 nan 8.380 nan 0.000 0.430 170 F N -0.480 119.388 119.950 -0.136 0.000 2.794 170 F HA 0.416 5.001 4.527 0.096 0.000 0.353 170 F C -1.849 173.850 175.800 -0.168 0.000 1.371 170 F CA -1.996 55.891 58.000 -0.187 0.000 1.173 170 F CB 2.163 40.969 39.000 -0.325 0.000 1.693 170 F HN -0.190 nan 8.300 nan 0.000 0.606 171 P HA -0.223 nan 4.420 nan 0.000 0.214 171 P C 1.864 179.161 177.300 -0.004 0.000 1.169 171 P CA 1.813 64.928 63.100 0.025 0.000 0.908 171 P CB 0.380 32.103 31.700 0.038 0.000 0.791 172 L N -2.090 119.128 121.223 -0.008 0.000 2.044 172 L HA -0.138 4.257 4.340 0.093 0.000 0.205 172 L C 2.439 179.258 176.870 -0.084 0.000 1.075 172 L CA 0.886 55.712 54.840 -0.024 0.000 0.747 172 L CB -1.022 41.034 42.059 -0.006 0.000 0.903 172 L HN -0.024 nan 8.230 nan 0.000 0.435 173 L N -0.670 120.462 121.223 -0.152 0.000 2.046 173 L HA -0.212 4.184 4.340 0.093 0.000 0.208 173 L C 2.479 179.023 176.870 -0.542 0.000 1.077 173 L CA 1.830 56.440 54.840 -0.385 0.000 0.747 173 L CB -0.427 41.294 42.059 -0.563 0.000 0.896 173 L HN 0.174 nan 8.230 nan 0.000 0.432 174 M N -0.945 118.421 119.600 -0.390 0.000 2.159 174 M HA -0.229 4.307 4.480 0.093 0.000 0.263 174 M C 2.251 178.506 176.300 -0.076 0.000 1.063 174 M CA 1.606 56.754 55.300 -0.253 0.000 1.110 174 M CB -1.350 31.170 32.600 -0.133 0.000 1.374 174 M HN 0.506 nan 8.290 nan 0.000 0.411 175 Q N -0.102 119.657 119.800 -0.067 0.000 2.050 175 Q HA -0.140 4.255 4.340 0.093 0.000 0.202 175 Q C 2.041 178.035 176.000 -0.010 0.000 0.980 175 Q CA 2.073 57.858 55.803 -0.030 0.000 0.840 175 Q CB -0.037 28.683 28.738 -0.030 0.000 0.898 175 Q HN 0.474 nan 8.270 nan 0.000 0.424 176 A N 0.087 122.905 122.820 -0.003 0.000 1.902 176 A HA -0.187 4.189 4.320 0.093 0.000 0.217 176 A C 1.575 179.275 177.584 0.194 0.000 1.181 176 A CA 1.305 53.386 52.037 0.073 0.000 0.623 176 A CB -1.176 17.878 19.000 0.090 0.000 0.818 176 A HN 0.648 nan 8.150 nan 0.000 0.443 177 W N 0.288 121.569 121.300 -0.031 0.000 2.421 177 W HA -0.039 4.682 4.660 0.101 0.000 0.270 177 W C 1.982 178.441 176.519 -0.099 0.000 1.233 177 W CA 1.271 58.596 57.345 -0.032 0.000 1.226 177 W CB -0.171 29.273 29.460 -0.026 0.000 1.121 177 W HN 0.254 nan 8.180 nan 0.000 0.579 178 K N -0.584 119.888 120.400 0.119 0.000 2.168 178 K HA 0.126 4.502 4.320 0.093 0.000 0.201 178 K C 2.076 178.568 176.600 -0.181 0.000 1.049 178 K CA 0.476 56.759 56.287 -0.008 0.000 0.974 178 K CB -0.836 31.687 32.500 0.038 0.000 0.792 178 K HN 0.194 nan 8.250 nan 0.000 0.463 179 L N 0.448 121.591 121.223 -0.133 0.000 2.056 179 L HA -0.087 4.309 4.340 0.093 0.000 0.207 179 L C 2.410 179.156 176.870 -0.205 0.000 1.078 179 L CA 1.367 56.102 54.840 -0.176 0.000 0.749 179 L CB -0.972 41.000 42.059 -0.144 0.000 0.901 179 L HN 0.257 nan 8.230 nan 0.000 0.433 180 G N 1.236 109.919 108.800 -0.194 0.000 2.587 180 G HA2 -0.241 3.775 3.960 0.093 0.000 0.217 180 G HA3 -0.241 3.775 3.960 0.093 0.000 0.217 180 G C -0.537 174.028 174.900 -0.557 0.000 1.240 180 G CA 1.097 46.049 45.100 -0.246 0.000 0.794 180 G HN 0.302 nan 8.290 nan 0.000 0.580 181 P HA -0.057 nan 4.420 nan 0.000 0.216 181 P C 2.089 179.035 177.300 -0.589 0.000 1.153 181 P CA 2.166 64.761 63.100 -0.841 0.000 0.848 181 P CB -0.233 31.031 31.700 -0.727 0.000 0.787 182 A N 0.438 122.735 122.820 -0.872 0.000 1.883 182 A HA -0.151 4.225 4.320 0.093 0.000 0.217 182 A C 2.497 179.989 177.584 -0.153 0.000 1.186 182 A CA 1.649 53.229 52.037 -0.762 0.000 0.624 182 A CB -1.612 16.952 19.000 -0.727 0.000 0.822 182 A HN 0.130 nan 8.150 nan 0.000 0.444 183 L N -1.096 120.104 121.223 -0.038 0.000 2.109 183 L HA -0.104 4.292 4.340 0.093 0.000 0.207 183 L C 3.068 180.133 176.870 0.325 0.000 1.086 183 L CA 0.880 55.896 54.840 0.294 0.000 0.760 183 L CB -0.615 41.611 42.059 0.279 0.000 0.910 183 L HN 0.432 nan 8.230 nan 0.000 0.437 184 A N 0.334 123.256 122.820 0.171 0.000 1.972 184 A HA -0.190 4.186 4.320 0.093 0.000 0.219 184 A C 2.230 179.894 177.584 0.133 0.000 1.169 184 A CA 2.154 54.299 52.037 0.181 0.000 0.635 184 A CB -0.844 18.299 19.000 0.237 0.000 0.810 184 A HN 0.518 nan 8.150 nan 0.000 0.446 185 T N -4.103 110.515 114.554 0.107 0.000 3.129 185 T HA 0.408 4.814 4.350 0.093 0.000 0.251 185 T C 1.233 176.016 174.700 0.139 0.000 1.117 185 T CA 0.922 63.098 62.100 0.127 0.000 1.034 185 T CB -0.043 68.906 68.868 0.135 0.000 0.968 185 T HN 1.684 nan 8.240 nan 0.000 0.526 186 G N 1.615 110.502 108.800 0.146 0.000 2.160 186 G HA2 -0.234 3.782 3.960 0.093 0.000 0.244 186 G HA3 -0.234 3.782 3.960 0.093 0.000 0.244 186 G C -0.075 175.126 174.900 0.502 0.000 1.022 186 G CA -0.248 44.906 45.100 0.090 0.000 0.741 186 G HN 0.583 nan 8.290 nan 0.000 0.508 187 N N -0.838 118.180 118.700 0.529 0.000 2.448 187 N HA 0.645 5.441 4.740 0.093 0.000 0.274 187 N C 0.488 176.302 175.510 0.507 0.000 1.239 187 N CA 0.390 53.715 53.050 0.458 0.000 0.982 187 N CB 1.806 40.433 38.487 0.233 0.000 1.199 187 N HN 0.675 nan 8.380 nan 0.000 0.576 188 V N -2.090 117.958 119.914 0.223 0.000 2.815 188 V HA 0.738 4.914 4.120 0.093 0.000 0.314 188 V C -0.172 175.915 176.094 -0.013 0.000 1.064 188 V CA -0.754 61.586 62.300 0.066 0.000 0.952 188 V CB 1.649 33.521 31.823 0.080 0.000 1.020 188 V HN 0.250 nan 8.190 nan 0.000 0.439 189 V N 2.591 122.469 119.914 -0.060 0.000 2.735 189 V HA 0.605 4.781 4.120 0.093 0.000 0.310 189 V C -0.519 175.549 176.094 -0.042 0.000 1.061 189 V CA -0.562 61.709 62.300 -0.049 0.000 0.913 189 V CB 2.178 33.958 31.823 -0.072 0.000 1.005 189 V HN 0.789 nan 8.190 nan 0.000 0.428 190 V N 5.098 124.997 119.914 -0.024 0.000 2.325 190 V HA 0.451 4.627 4.120 0.093 0.000 0.280 190 V C -0.196 175.905 176.094 0.012 0.000 1.016 190 V CA -0.212 62.081 62.300 -0.012 0.000 0.818 190 V CB 1.313 33.116 31.823 -0.034 0.000 1.019 190 V HN 0.896 nan 8.190 nan 0.000 0.434 191 M N 4.918 124.530 119.600 0.019 0.000 2.238 191 M HA 0.563 5.099 4.480 0.093 0.000 0.350 191 M C -0.566 175.766 176.300 0.053 0.000 1.138 191 M CA -0.501 54.817 55.300 0.031 0.000 1.040 191 M CB 1.227 33.831 32.600 0.007 0.000 1.639 191 M HN 0.352 nan 8.290 nan 0.000 0.451 192 K N 5.450 125.888 120.400 0.065 0.000 2.389 192 K HA 0.374 4.750 4.320 0.093 0.000 0.261 192 K C -1.224 175.421 176.600 0.075 0.000 1.014 192 K CA -0.376 55.956 56.287 0.075 0.000 0.920 192 K CB 0.779 33.330 32.500 0.085 0.000 1.149 192 K HN 0.682 nan 8.250 nan 0.000 0.444 193 V N 0.957 120.917 119.914 0.077 0.000 2.904 193 V HA 0.621 4.797 4.120 0.093 0.000 0.305 193 V C 0.524 176.671 176.094 0.087 0.000 1.067 193 V CA -1.136 61.212 62.300 0.079 0.000 1.044 193 V CB 1.025 32.901 31.823 0.088 0.000 1.050 193 V HN 0.701 nan 8.190 nan 0.000 0.475 194 A N 2.922 125.808 122.820 0.110 0.000 2.511 194 A HA 0.265 4.640 4.320 0.093 0.000 0.242 194 A C 1.347 179.000 177.584 0.115 0.000 1.069 194 A CA 0.278 52.405 52.037 0.150 0.000 0.763 194 A CB 0.022 19.183 19.000 0.268 0.000 1.001 194 A HN 1.122 nan 8.150 nan 0.000 0.498 195 E N 2.207 122.420 120.200 0.023 0.000 2.265 195 E HA -0.268 4.138 4.350 0.093 0.000 0.196 195 E C 0.994 177.652 176.600 0.097 0.000 0.996 195 E CA 1.698 58.026 56.400 -0.121 0.000 0.832 195 E CB -0.246 29.166 29.700 -0.480 0.000 0.756 195 E HN 0.832 nan 8.360 nan 0.000 0.491 196 Q N 0.679 120.537 119.800 0.097 0.000 2.311 196 Q HA 0.013 4.409 4.340 0.093 0.000 0.203 196 Q C 0.625 176.674 176.000 0.082 0.000 0.954 196 Q CA 1.603 57.433 55.803 0.046 0.000 0.885 196 Q CB 0.499 29.155 28.738 -0.136 0.000 0.963 196 Q HN 0.455 nan 8.270 nan 0.000 0.471 197 T N -3.663 110.972 114.554 0.134 0.000 3.734 197 T HA 0.274 4.680 4.350 0.093 0.000 0.238 197 T C -2.466 172.303 174.700 0.115 0.000 1.205 197 T CA -1.224 60.944 62.100 0.112 0.000 1.606 197 T CB 1.064 70.006 68.868 0.123 0.000 0.832 197 T HN -0.056 nan 8.240 nan 0.000 0.655 198 P HA 0.174 nan 4.420 nan 0.000 0.234 198 P C 1.692 179.049 177.300 0.094 0.000 1.175 198 P CA -0.072 63.104 63.100 0.127 0.000 0.801 198 P CB 0.362 32.173 31.700 0.184 0.000 0.891 199 L N 0.649 121.911 121.223 0.064 0.000 1.963 199 L HA -0.204 4.192 4.340 0.093 0.000 0.220 199 L C 2.832 179.760 176.870 0.097 0.000 1.076 199 L CA 3.024 57.898 54.840 0.057 0.000 0.772 199 L CB -2.303 39.766 42.059 0.016 0.000 0.892 199 L HN 0.107 nan 8.230 nan 0.000 0.435 200 T N -1.987 112.610 114.554 0.071 0.000 2.759 200 T HA -0.185 4.221 4.350 0.093 0.000 0.269 200 T C 1.930 176.711 174.700 0.136 0.000 1.042 200 T CA 1.108 63.265 62.100 0.096 0.000 1.140 200 T CB -0.565 68.326 68.868 0.039 0.000 0.864 200 T HN 0.372 nan 8.240 nan 0.000 0.455 201 A N 1.670 124.547 122.820 0.094 0.000 1.933 201 A HA 0.153 4.529 4.320 0.093 0.000 0.218 201 A C 2.467 180.098 177.584 0.078 0.000 1.175 201 A CA 1.297 53.374 52.037 0.066 0.000 0.628 201 A CB -0.870 18.161 19.000 0.051 0.000 0.814 201 A HN 0.556 nan 8.150 nan 0.000 0.444 202 L N -2.354 118.956 121.223 0.144 0.000 2.141 202 L HA -0.157 4.239 4.340 0.093 0.000 0.209 202 L C 2.561 179.584 176.870 0.255 0.000 1.094 202 L CA 1.503 56.484 54.840 0.236 0.000 0.763 202 L CB -0.571 41.616 42.059 0.213 0.000 0.908 202 L HN 0.583 nan 8.230 nan 0.000 0.437 203 Y N 0.153 120.530 120.300 0.128 0.000 2.242 203 Y HA -0.173 4.433 4.550 0.093 0.000 0.291 203 Y C 2.362 178.327 175.900 0.109 0.000 1.137 203 Y CA 1.201 59.398 58.100 0.161 0.000 1.181 203 Y CB -0.077 38.517 38.460 0.224 0.000 0.989 203 Y HN -0.178 nan 8.280 nan 0.000 0.527 204 V N 0.189 120.146 119.914 0.073 0.000 2.515 204 V HA -0.287 3.889 4.120 0.093 0.000 0.250 204 V C 2.555 178.514 176.094 -0.225 0.000 1.058 204 V CA 1.551 63.822 62.300 -0.049 0.000 1.064 204 V CB -1.290 30.532 31.823 -0.001 0.000 0.675 204 V HN 0.558 nan 8.190 nan 0.000 0.461 205 A N 0.084 122.716 122.820 -0.312 0.000 2.019 205 A HA -0.238 4.137 4.320 0.093 0.000 0.219 205 A C 2.042 179.212 177.584 -0.691 0.000 1.164 205 A CA 2.063 53.625 52.037 -0.792 0.000 0.644 205 A CB -0.671 17.540 19.000 -1.314 0.000 0.805 205 A HN 0.578 nan 8.150 nan 0.000 0.449 206 N N 0.061 118.608 118.700 -0.255 0.000 2.142 206 N HA -0.036 4.760 4.740 0.093 0.000 0.186 206 N C 1.540 176.966 175.510 -0.141 0.000 1.023 206 N CA 1.278 54.295 53.050 -0.055 0.000 0.852 206 N CB -0.326 38.091 38.487 -0.116 0.000 0.998 206 N HN 0.479 nan 8.380 nan 0.000 0.424 207 L N 0.002 121.083 121.223 -0.236 0.000 2.141 207 L HA -0.065 4.331 4.340 0.093 0.000 0.209 207 L C 2.017 178.862 176.870 -0.041 0.000 1.094 207 L CA 0.669 55.435 54.840 -0.123 0.000 0.763 207 L CB -0.342 41.663 42.059 -0.090 0.000 0.908 207 L HN 0.220 nan 8.230 nan 0.000 0.437 208 I N 0.001 120.502 120.570 -0.115 0.000 2.286 208 I HA -0.303 3.923 4.170 0.093 0.000 0.248 208 I C 2.723 178.901 176.117 0.102 0.000 1.115 208 I CA 1.318 62.566 61.300 -0.087 0.000 1.392 208 I CB -0.186 37.608 38.000 -0.344 0.000 1.065 208 I HN 0.262 nan 8.210 nan 0.000 0.418 209 K N 0.940 121.385 120.400 0.075 0.000 2.025 209 K HA -0.237 4.139 4.320 0.093 0.000 0.207 209 K C 2.094 178.756 176.600 0.105 0.000 1.049 209 K CA 1.517 57.889 56.287 0.140 0.000 0.933 209 K CB -0.049 32.551 32.500 0.167 0.000 0.714 209 K HN 0.222 nan 8.250 nan 0.000 0.438 210 E N -0.139 120.102 120.200 0.069 0.000 2.153 210 E HA -0.166 4.240 4.350 0.093 0.000 0.194 210 E C 1.553 178.196 176.600 0.071 0.000 0.988 210 E CA 0.895 57.327 56.400 0.053 0.000 0.811 210 E CB -0.035 29.677 29.700 0.020 0.000 0.746 210 E HN 0.411 nan 8.360 nan 0.000 0.466 211 A N -0.035 122.855 122.820 0.117 0.000 2.066 211 A HA 0.085 4.461 4.320 0.093 0.000 0.218 211 A C 1.885 179.505 177.584 0.059 0.000 1.157 211 A CA 1.357 53.471 52.037 0.128 0.000 0.670 211 A CB -0.359 18.802 19.000 0.270 0.000 0.804 211 A HN 0.513 nan 8.150 nan 0.000 0.453 212 G N -2.842 106.014 108.800 0.093 0.000 2.184 212 G HA2 -0.173 3.843 3.960 0.093 0.000 0.206 212 G HA3 -0.173 3.843 3.960 0.093 0.000 0.206 212 G C -0.002 174.909 174.900 0.019 0.000 0.995 212 G CA -0.207 44.912 45.100 0.032 0.000 0.651 212 G HN 0.273 nan 8.290 nan 0.000 0.511 213 F N 2.223 122.174 119.950 0.003 0.000 2.578 213 F HA 0.388 4.970 4.527 0.091 0.000 0.381 213 F C -1.098 174.667 175.800 -0.058 0.000 1.069 213 F CA -1.180 56.789 58.000 -0.052 0.000 1.231 213 F CB 0.370 39.279 39.000 -0.152 0.000 1.086 213 F HN -0.087 nan 8.300 nan 0.000 0.564 214 P HA -0.009 nan 4.420 nan 0.000 0.266 214 P C -2.525 174.779 177.300 0.006 0.000 1.193 214 P CA -0.691 62.452 63.100 0.071 0.000 0.770 214 P CB -0.011 31.766 31.700 0.128 0.000 0.836 215 P HA 0.094 nan 4.420 nan 0.000 0.268 215 P C 0.942 178.205 177.300 -0.062 0.000 1.204 215 P CA 1.114 64.180 63.100 -0.056 0.000 0.768 215 P CB 0.200 31.864 31.700 -0.059 0.000 0.842 216 G N 1.357 110.102 108.800 -0.093 0.000 2.195 216 G HA2 -0.291 3.724 3.960 0.093 0.000 0.246 216 G HA3 -0.291 3.724 3.960 0.093 0.000 0.246 216 G C 0.983 175.820 174.900 -0.105 0.000 0.984 216 G CA 0.215 45.269 45.100 -0.078 0.000 0.633 216 G HN 0.397 nan 8.290 nan 0.000 0.525 217 V N -0.182 119.617 119.914 -0.192 0.000 2.358 217 V HA 0.095 4.271 4.120 0.093 0.000 0.246 217 V C 1.413 177.340 176.094 -0.279 0.000 1.047 217 V CA 1.997 64.063 62.300 -0.390 0.000 1.035 217 V CB 0.171 31.538 31.823 -0.761 0.000 0.658 217 V HN 0.391 nan 8.190 nan 0.000 0.452 218 V N 1.631 121.432 119.914 -0.187 0.000 2.483 218 V HA 0.475 4.651 4.120 0.093 0.000 0.297 218 V C -0.865 175.257 176.094 0.046 0.000 1.027 218 V CA -0.781 61.441 62.300 -0.129 0.000 0.855 218 V CB 1.787 33.463 31.823 -0.246 0.000 0.995 218 V HN 0.450 nan 8.190 nan 0.000 0.424 219 N N 5.531 124.255 118.700 0.040 0.000 2.352 219 N HA 0.620 5.416 4.740 0.093 0.000 0.291 219 N C -1.275 174.296 175.510 0.102 0.000 1.040 219 N CA -0.439 52.686 53.050 0.126 0.000 0.864 219 N CB 3.043 41.550 38.487 0.033 0.000 1.440 219 N HN 0.479 nan 8.380 nan 0.000 0.483 220 I N 1.540 122.212 120.570 0.170 0.000 2.378 220 I HA 0.347 4.573 4.170 0.093 0.000 0.291 220 I C -0.354 175.862 176.117 0.164 0.000 0.992 220 I CA -1.008 60.362 61.300 0.118 0.000 1.154 220 I CB 2.055 40.099 38.000 0.073 0.000 1.315 220 I HN 0.067 nan 8.210 nan 0.000 0.448 221 V N 8.062 128.053 119.914 0.128 0.000 2.325 221 V HA 0.312 4.488 4.120 0.093 0.000 0.280 221 V C -2.116 174.057 176.094 0.132 0.000 1.016 221 V CA -1.526 60.856 62.300 0.136 0.000 0.818 221 V CB 1.346 33.229 31.823 0.100 0.000 1.019 221 V HN 0.577 nan 8.190 nan 0.000 0.434 222 P HA 0.623 nan 4.420 nan 0.000 0.277 222 P C 0.133 177.512 177.300 0.131 0.000 1.240 222 P CA 0.379 63.585 63.100 0.176 0.000 0.798 222 P CB 2.180 34.030 31.700 0.250 0.000 0.979 223 G N 0.553 109.312 108.800 -0.068 0.000 2.345 223 G HA2 0.267 4.282 3.960 0.093 0.000 0.285 223 G HA3 0.267 4.282 3.960 0.093 0.000 0.285 223 G C -1.567 172.970 174.900 -0.603 0.000 1.297 223 G CA -0.876 43.992 45.100 -0.386 0.000 0.875 223 G HN 0.274 nan 8.290 nan 0.000 0.506 224 F N 0.542 120.375 119.950 -0.195 0.000 2.370 224 F HA 0.524 5.106 4.527 0.093 0.000 0.319 224 F C 1.877 177.649 175.800 -0.047 0.000 1.129 224 F CA 0.586 58.495 58.000 -0.151 0.000 1.109 224 F CB 1.380 40.290 39.000 -0.151 0.000 1.262 224 F HN 0.653 nan 8.300 nan 0.000 0.534 225 G N 0.452 109.376 108.800 0.206 0.000 2.434 225 G HA2 -0.111 3.905 3.960 0.093 0.000 0.214 225 G HA3 -0.111 3.905 3.960 0.093 0.000 0.214 225 G C -0.959 173.997 174.900 0.093 0.000 1.202 225 G CA 0.483 45.663 45.100 0.133 0.000 0.788 225 G HN 0.478 nan 8.290 nan 0.000 0.539 226 P HA -0.078 nan 4.420 nan 0.000 0.220 226 P C 1.898 179.225 177.300 0.046 0.000 1.144 226 P CA 2.142 65.263 63.100 0.035 0.000 0.800 226 P CB -0.073 31.633 31.700 0.009 0.000 0.772 227 T N -3.765 110.839 114.554 0.083 0.000 3.246 227 T HA 0.267 4.673 4.350 0.093 0.000 0.231 227 T C 1.959 176.706 174.700 0.079 0.000 0.986 227 T CA 0.626 62.776 62.100 0.083 0.000 1.340 227 T CB -1.159 67.780 68.868 0.119 0.000 1.063 227 T HN -0.079 nan 8.240 nan 0.000 0.427 228 A N 1.746 124.619 122.820 0.088 0.000 1.873 228 A HA 0.281 4.657 4.320 0.093 0.000 0.215 228 A C 2.663 180.292 177.584 0.075 0.000 1.186 228 A CA 1.870 53.953 52.037 0.078 0.000 0.616 228 A CB -1.737 17.304 19.000 0.068 0.000 0.823 228 A HN 0.687 nan 8.150 nan 0.000 0.442 229 G N -0.396 108.451 108.800 0.078 0.000 2.446 229 G HA2 -0.035 3.981 3.960 0.093 0.000 0.217 229 G HA3 -0.035 3.981 3.960 0.093 0.000 0.217 229 G C 1.753 176.686 174.900 0.055 0.000 1.168 229 G CA 1.580 46.728 45.100 0.080 0.000 0.771 229 G HN 0.847 nan 8.290 nan 0.000 0.551 230 A N 0.972 123.815 122.820 0.038 0.000 1.972 230 A HA 0.304 4.680 4.320 0.093 0.000 0.219 230 A C 2.765 180.368 177.584 0.033 0.000 1.169 230 A CA 2.098 54.145 52.037 0.016 0.000 0.635 230 A CB -0.611 18.393 19.000 0.006 0.000 0.810 230 A HN 0.787 nan 8.150 nan 0.000 0.446 231 A N -0.068 122.784 122.820 0.054 0.000 1.930 231 A HA -0.039 4.337 4.320 0.093 0.000 0.217 231 A C 2.088 179.745 177.584 0.122 0.000 1.175 231 A CA 1.445 53.529 52.037 0.078 0.000 0.627 231 A CB -0.498 18.555 19.000 0.089 0.000 0.815 231 A HN 0.504 nan 8.150 nan 0.000 0.443 232 I N -0.446 120.183 120.570 0.099 0.000 2.233 232 I HA -0.210 4.016 4.170 0.093 0.000 0.243 232 I C 2.954 179.124 176.117 0.089 0.000 1.093 232 I CA 0.978 62.335 61.300 0.094 0.000 1.380 232 I CB -0.360 37.680 38.000 0.067 0.000 1.067 232 I HN 0.330 nan 8.210 nan 0.000 0.413 233 A N -0.297 122.557 122.820 0.056 0.000 1.972 233 A HA -0.168 4.208 4.320 0.093 0.000 0.219 233 A C 2.361 179.962 177.584 0.028 0.000 1.169 233 A CA 2.086 54.140 52.037 0.028 0.000 0.635 233 A CB -0.480 18.511 19.000 -0.015 0.000 0.810 233 A HN 0.381 nan 8.150 nan 0.000 0.446 234 S N -1.358 114.364 115.700 0.036 0.000 2.535 234 S HA 0.080 4.606 4.470 0.093 0.000 0.214 234 S C 0.632 175.247 174.600 0.025 0.000 0.980 234 S CA -0.543 57.666 58.200 0.016 0.000 0.907 234 S CB -0.248 62.947 63.200 -0.008 0.000 0.790 234 S HN 0.676 nan 8.310 nan 0.000 0.510 235 H N 2.678 121.746 119.070 -0.004 0.000 3.001 235 H HA 0.039 4.651 4.556 0.093 0.000 0.334 235 H C 0.945 176.270 175.328 -0.005 0.000 1.034 235 H CA 0.680 56.727 56.048 -0.002 0.000 1.420 235 H CB 0.641 30.404 29.762 0.002 0.000 1.405 235 H HN 0.170 nan 8.280 nan 0.000 0.593 236 E N 2.949 123.131 120.200 -0.031 0.000 2.347 236 E HA -0.121 4.285 4.350 0.093 0.000 0.196 236 E C 0.688 177.386 176.600 0.164 0.000 1.008 236 E CA 0.746 57.176 56.400 0.049 0.000 0.852 236 E CB 0.255 29.933 29.700 -0.037 0.000 0.783 236 E HN 0.586 nan 8.360 nan 0.000 0.505 237 D N -0.360 120.283 120.400 0.405 0.000 2.431 237 D HA 0.044 4.740 4.640 0.093 0.000 0.213 237 D C -0.623 175.706 176.300 0.048 0.000 1.130 237 D CA -0.030 54.084 54.000 0.191 0.000 0.834 237 D CB 0.651 41.558 40.800 0.179 0.000 0.985 237 D HN -0.211 nan 8.370 nan 0.000 0.504 238 V N 1.750 121.700 119.914 0.061 0.000 2.406 238 V HA 0.141 4.317 4.120 0.093 0.000 0.272 238 V C 0.898 176.987 176.094 -0.009 0.000 1.043 238 V CA -0.371 61.916 62.300 -0.022 0.000 0.915 238 V CB 1.724 33.542 31.823 -0.008 0.000 0.988 238 V HN 0.079 nan 8.190 nan 0.000 0.466 239 D N 3.285 123.657 120.400 -0.046 0.000 2.249 239 D HA 0.032 4.728 4.640 0.093 0.000 0.205 239 D C 0.734 177.011 176.300 -0.039 0.000 0.962 239 D CA 0.866 54.839 54.000 -0.045 0.000 0.860 239 D CB 0.784 41.536 40.800 -0.080 0.000 0.955 239 D HN 0.465 nan 8.370 nan 0.000 0.505 240 K N 0.493 120.873 120.400 -0.034 0.000 2.542 240 K HA 0.370 4.746 4.320 0.093 0.000 0.259 240 K C -2.072 174.524 176.600 -0.007 0.000 0.932 240 K CA -0.578 55.686 56.287 -0.038 0.000 0.820 240 K CB 3.223 35.677 32.500 -0.076 0.000 1.345 240 K HN -0.191 nan 8.250 nan 0.000 0.432 241 V N 2.716 122.630 119.914 -0.001 0.000 2.483 241 V HA 0.753 4.929 4.120 0.093 0.000 0.297 241 V C -1.259 174.869 176.094 0.057 0.000 1.027 241 V CA -0.356 61.968 62.300 0.040 0.000 0.855 241 V CB 1.332 33.182 31.823 0.045 0.000 0.995 241 V HN 0.865 nan 8.190 nan 0.000 0.424 242 A N 6.969 129.847 122.820 0.097 0.000 2.271 242 A HA 0.813 5.189 4.320 0.093 0.000 0.317 242 A C -1.134 176.559 177.584 0.182 0.000 1.245 242 A CA -0.419 51.685 52.037 0.113 0.000 0.857 242 A CB 0.666 19.747 19.000 0.135 0.000 1.175 242 A HN 1.072 nan 8.150 nan 0.000 0.512 243 F N 2.108 122.075 119.950 0.029 0.000 2.546 243 F HA 0.742 5.325 4.527 0.093 0.000 0.320 243 F C -0.295 175.528 175.800 0.037 0.000 1.076 243 F CA -0.161 57.858 58.000 0.030 0.000 0.928 243 F CB 2.401 41.411 39.000 0.017 0.000 1.189 243 F HN 0.385 nan 8.300 nan 0.000 0.465 244 T N 4.226 118.130 114.554 -1.084 0.000 3.050 244 T HA 0.719 5.125 4.350 0.093 0.000 0.310 244 T C -0.238 173.788 174.700 -1.123 0.000 0.978 244 T CA -0.277 61.352 62.100 -0.785 0.000 1.013 244 T CB 0.979 69.664 68.868 -0.305 0.000 1.000 244 T HN 1.121 nan 8.240 nan 0.000 0.447 245 G N 2.011 110.286 108.800 -0.875 0.000 2.498 245 G HA2 0.488 4.504 3.960 0.093 0.000 0.181 245 G HA3 0.488 4.504 3.960 0.093 0.000 0.181 245 G C -0.651 174.217 174.900 -0.053 0.000 1.169 245 G CA -0.230 44.602 45.100 -0.446 0.000 0.992 245 G HN 0.906 nan 8.290 nan 0.000 0.490 246 S N -0.213 115.565 115.700 0.130 0.000 2.576 246 S HA 0.431 4.957 4.470 0.093 0.000 0.276 246 S C 1.233 175.966 174.600 0.223 0.000 1.339 246 S CA 0.943 59.212 58.200 0.114 0.000 1.039 246 S CB 1.385 64.632 63.200 0.079 0.000 0.902 246 S HN 0.710 nan 8.310 nan 0.000 0.516 247 T N 1.332 115.991 114.554 0.176 0.000 2.833 247 T HA -0.124 4.282 4.350 0.093 0.000 0.269 247 T C 1.591 176.346 174.700 0.092 0.000 1.054 247 T CA 1.697 63.896 62.100 0.165 0.000 1.135 247 T CB -0.427 68.551 68.868 0.183 0.000 0.869 247 T HN 0.843 nan 8.240 nan 0.000 0.466 248 E N 0.402 120.648 120.200 0.077 0.000 2.038 248 E HA -0.140 4.266 4.350 0.093 0.000 0.195 248 E C 1.952 178.541 176.600 -0.017 0.000 1.000 248 E CA 1.086 57.504 56.400 0.030 0.000 0.803 248 E CB -0.016 29.708 29.700 0.039 0.000 0.750 248 E HN 0.286 nan 8.360 nan 0.000 0.448 249 I N 0.652 121.210 120.570 -0.020 0.000 2.439 249 I HA -0.082 4.144 4.170 0.093 0.000 0.251 249 I C 2.497 178.363 176.117 -0.418 0.000 1.139 249 I CA 1.195 62.385 61.300 -0.183 0.000 1.438 249 I CB -1.652 36.266 38.000 -0.138 0.000 1.085 249 I HN 0.214 nan 8.210 nan 0.000 0.427 250 G N 1.083 109.733 108.800 -0.249 0.000 2.450 250 G HA2 -0.248 3.768 3.960 0.093 0.000 0.220 250 G HA3 -0.248 3.768 3.960 0.093 0.000 0.220 250 G C 1.906 176.718 174.900 -0.147 0.000 1.130 250 G CA 0.400 45.380 45.100 -0.199 0.000 0.760 250 G HN 0.340 nan 8.290 nan 0.000 0.557 251 R N -0.314 120.127 120.500 -0.099 0.000 2.073 251 R HA 0.046 4.442 4.340 0.093 0.000 0.229 251 R C 2.659 178.898 176.300 -0.102 0.000 1.120 251 R CA 0.926 56.981 56.100 -0.075 0.000 0.967 251 R CB -0.500 29.771 30.300 -0.049 0.000 0.862 251 R HN 0.283 nan 8.270 nan 0.000 0.436 252 V N 1.748 121.581 119.914 -0.135 0.000 2.287 252 V HA -0.276 3.899 4.120 0.093 0.000 0.248 252 V C 2.348 178.353 176.094 -0.148 0.000 1.053 252 V CA 1.622 63.843 62.300 -0.132 0.000 1.027 252 V CB -0.468 31.267 31.823 -0.146 0.000 0.646 252 V HN 0.244 nan 8.190 nan 0.000 0.447 253 I N -0.039 120.392 120.570 -0.232 0.000 2.163 253 I HA -0.315 3.911 4.170 0.093 0.000 0.243 253 I C 2.576 178.626 176.117 -0.111 0.000 1.085 253 I CA 2.139 63.316 61.300 -0.205 0.000 1.347 253 I CB -1.238 36.564 38.000 -0.331 0.000 1.044 253 I HN 0.448 nan 8.210 nan 0.000 0.408 254 Q N 0.621 120.363 119.800 -0.097 0.000 2.124 254 Q HA -0.137 4.259 4.340 0.093 0.000 0.202 254 Q C 2.289 178.258 176.000 -0.050 0.000 0.977 254 Q CA 1.593 57.361 55.803 -0.057 0.000 0.850 254 Q CB 0.120 28.831 28.738 -0.045 0.000 0.901 254 Q HN 0.336 nan 8.270 nan 0.000 0.429 255 V N 0.536 120.415 119.914 -0.057 0.000 2.358 255 V HA -0.214 3.962 4.120 0.093 0.000 0.246 255 V C 2.269 178.337 176.094 -0.043 0.000 1.047 255 V CA 1.636 63.908 62.300 -0.047 0.000 1.035 255 V CB -0.991 30.803 31.823 -0.048 0.000 0.658 255 V HN 0.523 nan 8.190 nan 0.000 0.452 256 A N -0.058 122.732 122.820 -0.050 0.000 1.972 256 A HA -0.074 4.302 4.320 0.093 0.000 0.219 256 A C 2.359 179.926 177.584 -0.029 0.000 1.169 256 A CA 1.977 53.990 52.037 -0.040 0.000 0.635 256 A CB -0.564 18.409 19.000 -0.046 0.000 0.810 256 A HN 0.558 nan 8.150 nan 0.000 0.446 257 A N -0.711 122.090 122.820 -0.031 0.000 1.930 257 A HA 0.245 4.620 4.320 0.093 0.000 0.215 257 A C 2.315 179.887 177.584 -0.021 0.000 1.176 257 A CA 1.558 53.582 52.037 -0.021 0.000 0.632 257 A CB -1.085 17.901 19.000 -0.023 0.000 0.819 257 A HN 0.677 nan 8.150 nan 0.000 0.445 258 G N -1.100 107.685 108.800 -0.025 0.000 2.511 258 G HA2 0.021 4.037 3.960 0.093 0.000 0.217 258 G HA3 0.021 4.037 3.960 0.093 0.000 0.217 258 G C 1.539 176.426 174.900 -0.022 0.000 1.133 258 G CA 1.110 46.196 45.100 -0.024 0.000 0.792 258 G HN 0.467 nan 8.290 nan 0.000 0.539 259 S N 0.261 115.947 115.700 -0.024 0.000 2.496 259 S HA 0.025 4.550 4.470 0.093 0.000 0.224 259 S C 2.364 176.951 174.600 -0.021 0.000 0.996 259 S CA 0.920 59.106 58.200 -0.023 0.000 0.927 259 S CB 0.112 63.296 63.200 -0.026 0.000 0.774 259 S HN 0.604 nan 8.310 nan 0.000 0.524 260 S N 3.193 118.882 115.700 -0.019 0.000 2.836 260 S HA 0.101 4.627 4.470 0.093 0.000 0.164 260 S C 0.955 175.548 174.600 -0.011 0.000 0.714 260 S CA 0.181 58.371 58.200 -0.016 0.000 0.906 260 S CB -0.524 62.669 63.200 -0.012 0.000 0.702 260 S HN 0.488 nan 8.310 nan 0.000 0.571 261 N N 1.391 120.089 118.700 -0.003 0.000 2.235 261 N HA 0.269 5.065 4.740 0.093 0.000 0.231 261 N C 0.104 175.611 175.510 -0.004 0.000 1.177 261 N CA -0.142 52.908 53.050 0.000 0.000 0.874 261 N CB -0.428 38.067 38.487 0.013 0.000 1.097 261 N HN 0.610 nan 8.380 nan 0.000 0.518 262 L N -0.327 120.890 121.223 -0.009 0.000 3.717 262 L HA -0.300 4.096 4.340 0.093 0.000 0.414 262 L C 0.015 176.876 176.870 -0.015 0.000 1.228 262 L CA 0.660 55.491 54.840 -0.014 0.000 0.918 262 L CB -1.789 40.261 42.059 -0.014 0.000 1.865 262 L HN 0.461 nan 8.230 nan 0.000 0.922 263 K N 0.320 120.712 120.400 -0.012 0.000 2.276 263 K HA 0.450 4.826 4.320 0.093 0.000 0.259 263 K C 0.344 176.928 176.600 -0.027 0.000 1.001 263 K CA -0.614 55.663 56.287 -0.016 0.000 0.927 263 K CB 0.554 33.050 32.500 -0.007 0.000 0.969 263 K HN 0.121 nan 8.250 nan 0.000 0.490 264 R N 0.697 121.174 120.500 -0.039 0.000 2.543 264 R HA 0.227 4.623 4.340 0.093 0.000 0.277 264 R C -0.713 175.557 176.300 -0.051 0.000 1.074 264 R CA -0.481 55.586 56.100 -0.055 0.000 1.076 264 R CB 0.891 31.142 30.300 -0.082 0.000 0.993 264 R HN 0.391 nan 8.270 nan 0.000 0.459 265 V N 1.598 121.484 119.914 -0.048 0.000 2.686 265 V HA 0.382 4.558 4.120 0.093 0.000 0.306 265 V C -0.342 175.734 176.094 -0.029 0.000 1.065 265 V CA -0.901 61.382 62.300 -0.027 0.000 0.894 265 V CB 2.055 33.870 31.823 -0.014 0.000 1.004 265 V HN 0.977 nan 8.190 nan 0.000 0.424 266 T N 2.805 117.351 114.554 -0.014 0.000 2.848 266 T HA 0.846 5.252 4.350 0.093 0.000 0.285 266 T C -0.973 173.762 174.700 0.059 0.000 0.995 266 T CA -0.636 61.457 62.100 -0.011 0.000 0.970 266 T CB 1.465 70.299 68.868 -0.057 0.000 0.976 266 T HN 0.385 nan 8.240 nan 0.000 0.441 267 L N 2.417 123.679 121.223 0.066 0.000 2.362 267 L HA 0.595 4.991 4.340 0.093 0.000 0.275 267 L C 0.055 176.968 176.870 0.072 0.000 0.998 267 L CA -0.794 54.127 54.840 0.135 0.000 0.820 267 L CB 2.031 44.184 42.059 0.157 0.000 1.270 267 L HN 0.664 nan 8.230 nan 0.000 0.415 268 E N 5.080 125.308 120.200 0.048 0.000 2.376 268 E HA 0.382 4.788 4.350 0.093 0.000 0.236 268 E C -1.060 175.540 176.600 -0.000 0.000 0.962 268 E CA -0.344 56.056 56.400 0.001 0.000 0.768 268 E CB 0.697 30.402 29.700 0.009 0.000 1.236 268 E HN 0.508 nan 8.360 nan 0.000 0.431 269 L N 0.889 122.147 121.223 0.059 0.000 2.448 269 L HA 0.574 4.970 4.340 0.093 0.000 0.258 269 L C 1.450 178.362 176.870 0.070 0.000 1.104 269 L CA -0.859 54.038 54.840 0.096 0.000 0.800 269 L CB 0.492 42.658 42.059 0.179 0.000 1.241 269 L HN 0.337 nan 8.230 nan 0.000 0.472 270 G N -1.193 107.629 108.800 0.037 0.000 2.489 270 G HA2 0.553 4.569 3.960 0.093 0.000 0.271 270 G HA3 0.553 4.569 3.960 0.093 0.000 0.271 270 G C -0.304 174.423 174.900 -0.289 0.000 1.427 270 G CA 0.193 45.249 45.100 -0.074 0.000 1.057 270 G HN 0.898 nan 8.290 nan 0.000 0.532 271 G N -2.257 106.194 108.800 -0.583 0.000 2.550 271 G HA2 0.466 4.482 3.960 0.093 0.000 0.293 271 G HA3 0.466 4.482 3.960 0.093 0.000 0.293 271 G C -1.330 173.219 174.900 -0.585 0.000 1.402 271 G CA -0.496 44.149 45.100 -0.759 0.000 0.784 271 G HN 0.553 nan 8.290 nan 0.000 0.482 272 K N 0.642 120.920 120.400 -0.204 0.000 3.271 272 K HA 0.466 4.842 4.320 0.093 0.000 0.192 272 K C 0.229 176.885 176.600 0.093 0.000 1.108 272 K CA -0.354 55.927 56.287 -0.010 0.000 0.902 272 K CB 0.014 32.602 32.500 0.146 0.000 0.889 272 K HN 0.414 nan 8.250 nan 0.000 0.520 273 S N 3.748 119.513 115.700 0.108 0.000 2.626 273 S HA 0.028 4.554 4.470 0.093 0.000 0.303 273 S C -2.282 172.452 174.600 0.223 0.000 1.256 273 S CA -0.351 57.962 58.200 0.188 0.000 1.069 273 S CB 0.073 63.444 63.200 0.285 0.000 0.807 273 S HN 0.390 nan 8.310 nan 0.000 0.500 274 P HA 0.197 nan 4.420 nan 0.000 0.285 274 P C -1.027 176.477 177.300 0.339 0.000 1.259 274 P CA -0.629 62.663 63.100 0.319 0.000 0.794 274 P CB 0.539 32.426 31.700 0.312 0.000 0.940 275 N N 3.694 122.593 118.700 0.333 0.000 2.569 275 N HA 0.328 5.124 4.740 0.093 0.000 0.254 275 N C -0.737 174.954 175.510 0.301 0.000 1.004 275 N CA -0.618 52.641 53.050 0.349 0.000 0.904 275 N CB 0.517 39.117 38.487 0.189 0.000 1.165 275 N HN 0.304 nan 8.380 nan 0.000 0.513 276 I N 4.438 125.190 120.570 0.304 0.000 2.315 276 I HA 0.295 4.521 4.170 0.093 0.000 0.291 276 I C -0.199 176.098 176.117 0.301 0.000 1.006 276 I CA -0.720 60.716 61.300 0.227 0.000 1.265 276 I CB 1.135 39.159 38.000 0.040 0.000 1.387 276 I HN 0.365 nan 8.210 nan 0.000 0.475 277 I N 7.003 127.732 120.570 0.265 0.000 2.330 277 I HA 0.313 4.539 4.170 0.093 0.000 0.286 277 I C 0.238 176.522 176.117 0.278 0.000 1.025 277 I CA -0.585 60.837 61.300 0.203 0.000 1.197 277 I CB 0.861 38.773 38.000 -0.145 0.000 1.358 277 I HN 0.487 nan 8.210 nan 0.000 0.467 278 M N 3.593 123.371 119.600 0.298 0.000 2.198 278 M HA 0.104 4.640 4.480 0.093 0.000 0.315 278 M C 1.728 178.109 176.300 0.135 0.000 1.134 278 M CA 0.107 55.555 55.300 0.247 0.000 1.171 278 M CB 0.554 33.288 32.600 0.224 0.000 1.413 278 M HN 0.684 nan 8.290 nan 0.000 0.467 279 S N 0.350 116.090 115.700 0.067 0.000 2.447 279 S HA -0.144 4.382 4.470 0.093 0.000 0.233 279 S C 0.861 175.508 174.600 0.077 0.000 1.006 279 S CA 1.319 59.545 58.200 0.044 0.000 0.957 279 S CB -0.428 62.773 63.200 0.001 0.000 0.773 279 S HN 0.745 nan 8.310 nan 0.000 0.507 280 D N 1.732 122.187 120.400 0.093 0.000 2.328 280 D HA 0.352 5.048 4.640 0.093 0.000 0.221 280 D C 0.623 177.002 176.300 0.132 0.000 1.072 280 D CA 0.186 54.244 54.000 0.096 0.000 0.850 280 D CB -0.326 40.521 40.800 0.079 0.000 0.922 280 D HN 0.528 nan 8.370 nan 0.000 0.516 281 A N 0.425 123.349 122.820 0.173 0.000 2.386 281 A HA 0.185 4.561 4.320 0.093 0.000 0.246 281 A C 0.245 177.966 177.584 0.229 0.000 1.089 281 A CA -0.345 51.837 52.037 0.241 0.000 0.790 281 A CB 0.211 19.405 19.000 0.324 0.000 1.042 281 A HN 0.135 nan 8.150 nan 0.000 0.497 282 D N 1.435 122.002 120.400 0.280 0.000 2.344 282 D HA 0.138 4.833 4.640 0.093 0.000 0.253 282 D C 1.028 177.497 176.300 0.281 0.000 1.255 282 D CA -0.208 53.943 54.000 0.250 0.000 0.894 282 D CB 0.534 41.495 40.800 0.268 0.000 1.067 282 D HN 0.443 nan 8.370 nan 0.000 0.492 283 M N 4.015 123.738 119.600 0.206 0.000 2.073 283 M HA -0.207 4.328 4.480 0.093 0.000 0.258 283 M C 1.171 177.566 176.300 0.158 0.000 1.070 283 M CA 1.736 57.148 55.300 0.186 0.000 1.103 283 M CB -0.264 32.417 32.600 0.135 0.000 1.321 283 M HN 0.325 nan 8.290 nan 0.000 0.405 284 D N -0.881 119.608 120.400 0.148 0.000 2.106 284 D HA -0.267 4.428 4.640 0.093 0.000 0.191 284 D C 1.866 178.291 176.300 0.210 0.000 0.997 284 D CA 1.705 55.785 54.000 0.134 0.000 0.834 284 D CB -0.719 40.161 40.800 0.133 0.000 0.956 284 D HN 0.678 nan 8.370 nan 0.000 0.448 285 W N 1.518 122.860 121.300 0.071 0.000 2.379 285 W HA -0.141 4.574 4.660 0.091 0.000 0.307 285 W C 2.229 178.807 176.519 0.099 0.000 1.200 285 W CA 1.410 58.820 57.345 0.110 0.000 1.297 285 W CB -0.024 29.538 29.460 0.171 0.000 1.140 285 W HN -0.049 nan 8.180 nan 0.000 0.507 286 A N 0.209 123.110 122.820 0.134 0.000 1.933 286 A HA -0.171 4.205 4.320 0.093 0.000 0.218 286 A C 1.990 179.466 177.584 -0.179 0.000 1.175 286 A CA 2.017 53.915 52.037 -0.232 0.000 0.628 286 A CB -1.074 17.933 19.000 0.010 0.000 0.814 286 A HN 0.163 nan 8.150 nan 0.000 0.444 287 V N -0.238 119.625 119.914 -0.084 0.000 2.379 287 V HA -0.193 3.983 4.120 0.093 0.000 0.245 287 V C 2.581 178.556 176.094 -0.199 0.000 1.044 287 V CA 2.322 64.456 62.300 -0.276 0.000 1.036 287 V CB -0.536 31.073 31.823 -0.358 0.000 0.664 287 V HN 0.707 nan 8.190 nan 0.000 0.453 288 E N -0.200 119.899 120.200 -0.168 0.000 2.106 288 E HA -0.191 4.215 4.350 0.093 0.000 0.192 288 E C 2.272 178.777 176.600 -0.159 0.000 0.984 288 E CA 1.204 57.520 56.400 -0.140 0.000 0.806 288 E CB -0.162 29.466 29.700 -0.121 0.000 0.750 288 E HN 0.466 nan 8.360 nan 0.000 0.458 289 Q N -0.295 119.278 119.800 -0.379 0.000 2.083 289 Q HA 0.012 4.408 4.340 0.093 0.000 0.198 289 Q C 2.158 178.040 176.000 -0.197 0.000 0.969 289 Q CA 1.398 56.989 55.803 -0.354 0.000 0.838 289 Q CB -0.465 27.949 28.738 -0.540 0.000 0.900 289 Q HN 0.384 nan 8.270 nan 0.000 0.436 290 A N 0.087 122.749 122.820 -0.264 0.000 1.972 290 A HA -0.230 4.146 4.320 0.093 0.000 0.219 290 A C 1.903 179.444 177.584 -0.071 0.000 1.169 290 A CA 1.917 53.851 52.037 -0.171 0.000 0.635 290 A CB -0.711 18.325 19.000 0.059 0.000 0.810 290 A HN 0.480 nan 8.150 nan 0.000 0.446 291 H N -1.740 117.307 119.070 -0.038 0.000 2.326 291 H HA -0.106 4.506 4.556 0.093 0.000 0.301 291 H C 1.691 177.143 175.328 0.207 0.000 1.081 291 H CA 2.079 58.218 56.048 0.153 0.000 1.334 291 H CB -0.360 29.460 29.762 0.096 0.000 1.385 291 H HN 0.471 nan 8.280 nan 0.000 0.504 292 F N 0.790 120.763 119.950 0.037 0.000 2.146 292 F HA -0.091 4.491 4.527 0.092 0.000 0.298 292 F C 2.480 178.214 175.800 -0.110 0.000 1.096 292 F CA 1.361 59.360 58.000 -0.002 0.000 1.275 292 F CB -0.679 38.284 39.000 -0.062 0.000 1.008 292 F HN 0.273 nan 8.300 nan 0.000 0.480 293 A N 0.363 122.991 122.820 -0.319 0.000 1.948 293 A HA -0.202 4.174 4.320 0.093 0.000 0.220 293 A C 2.133 179.362 177.584 -0.591 0.000 1.177 293 A CA 2.157 53.757 52.037 -0.729 0.000 0.636 293 A CB -1.024 17.250 19.000 -1.210 0.000 0.815 293 A HN 0.613 nan 8.150 nan 0.000 0.449 294 L N -3.024 117.892 121.223 -0.511 0.000 2.262 294 L HA 0.283 4.679 4.340 0.093 0.000 0.197 294 L C 2.071 178.586 176.870 -0.592 0.000 1.073 294 L CA 0.853 55.351 54.840 -0.569 0.000 0.800 294 L CB -0.097 41.519 42.059 -0.739 0.000 0.987 294 L HN 0.282 nan 8.230 nan 0.000 0.470 295 F N -0.528 119.216 119.950 -0.344 0.000 2.502 295 F HA -0.055 4.528 4.527 0.093 0.000 0.298 295 F C 1.044 176.713 175.800 -0.218 0.000 1.111 295 F CA 0.189 58.005 58.000 -0.307 0.000 1.445 295 F CB -0.430 38.288 39.000 -0.470 0.000 1.081 295 F HN -0.034 nan 8.300 nan 0.000 0.558 296 F N 2.270 122.039 119.950 -0.302 0.000 2.635 296 F HA -0.090 4.493 4.527 0.093 0.000 0.379 296 F C 1.210 176.894 175.800 -0.193 0.000 1.094 296 F CA -0.033 57.775 58.000 -0.319 0.000 1.300 296 F CB 0.088 38.641 39.000 -0.745 0.000 1.035 296 F HN 0.117 nan 8.300 nan 0.000 0.581 297 N N 3.393 121.536 118.700 -0.928 0.000 2.740 297 N HA -0.303 4.492 4.740 0.093 0.000 0.248 297 N C -0.032 175.210 175.510 -0.448 0.000 1.062 297 N CA 1.390 53.945 53.050 -0.825 0.000 0.704 297 N CB -1.038 36.785 38.487 -1.106 0.000 0.968 297 N HN 0.783 nan 8.380 nan 0.000 0.547 298 Q N -2.420 117.226 119.800 -0.258 0.000 2.494 298 Q HA -0.166 4.230 4.340 0.093 0.000 0.266 298 Q C 1.249 177.160 176.000 -0.149 0.000 1.053 298 Q CA 2.220 57.944 55.803 -0.132 0.000 1.029 298 Q CB -1.860 26.801 28.738 -0.128 0.000 1.423 298 Q HN 1.209 nan 8.270 nan 0.000 0.516 299 G N -1.076 107.592 108.800 -0.220 0.000 2.189 299 G HA2 -0.407 3.609 3.960 0.093 0.000 0.267 299 G HA3 -0.407 3.609 3.960 0.093 0.000 0.267 299 G C 0.179 174.795 174.900 -0.474 0.000 0.975 299 G CA 0.469 45.399 45.100 -0.283 0.000 0.644 299 G HN 0.465 nan 8.290 nan 0.000 0.537 300 Q N 0.071 119.546 119.800 -0.542 0.000 3.184 300 Q HA 0.463 4.859 4.340 0.093 0.000 0.288 300 Q C 0.009 175.420 176.000 -0.982 0.000 1.412 300 Q CA 0.098 55.304 55.803 -0.994 0.000 0.991 300 Q CB 0.397 28.965 28.738 -0.283 0.000 1.688 300 Q HN 0.406 nan 8.270 nan 0.000 0.554 301 C N 0.143 118.914 119.300 -0.880 0.000 2.481 301 C HA 0.295 4.811 4.460 0.093 0.000 0.324 301 C C 1.988 176.981 174.990 0.006 0.000 1.170 301 C CA -0.805 58.114 59.018 -0.164 0.000 1.361 301 C CB 0.203 28.023 27.740 0.134 0.000 1.977 301 C HN 0.981 nan 8.230 nan 0.000 0.459 302 C N 2.025 121.507 119.300 0.303 0.000 2.403 302 C HA -0.078 4.438 4.460 0.093 0.000 0.277 302 C C 1.816 177.001 174.990 0.326 0.000 1.248 302 C CA 1.541 60.799 59.018 0.399 0.000 1.762 302 C CB -2.394 25.557 27.740 0.353 0.000 2.014 302 C HN 1.041 nan 8.230 nan 0.000 0.486 303 C N 1.222 120.765 119.300 0.406 0.000 2.469 303 C HA 0.775 5.290 4.460 0.093 0.000 0.298 303 C C 1.135 176.400 174.990 0.457 0.000 1.436 303 C CA -0.867 58.425 59.018 0.457 0.000 1.783 303 C CB -2.455 25.702 27.740 0.696 0.000 2.726 303 C HN 0.766 nan 8.230 nan 0.000 0.541 304 A N 0.884 123.860 122.820 0.261 0.000 2.511 304 A HA 0.491 4.867 4.320 0.093 0.000 0.242 304 A C 1.089 178.741 177.584 0.114 0.000 1.069 304 A CA 0.735 52.845 52.037 0.122 0.000 0.763 304 A CB -0.025 18.942 19.000 -0.055 0.000 1.001 304 A HN 1.214 nan 8.150 nan 0.000 0.498 305 G N 1.521 110.277 108.800 -0.074 0.000 2.985 305 G HA2 0.339 4.355 3.960 0.093 0.000 0.282 305 G HA3 0.339 4.355 3.960 0.093 0.000 0.282 305 G C 0.885 175.704 174.900 -0.135 0.000 0.791 305 G CA 0.384 45.430 45.100 -0.090 0.000 1.934 305 G HN 1.133 nan 8.290 nan 0.000 0.563 306 S N 0.893 116.550 115.700 -0.071 0.000 2.603 306 S HA 0.146 4.672 4.470 0.093 0.000 0.220 306 S C 0.994 175.532 174.600 -0.103 0.000 0.967 306 S CA -0.179 57.955 58.200 -0.111 0.000 0.920 306 S CB 0.354 63.498 63.200 -0.094 0.000 0.773 306 S HN 0.422 nan 8.310 nan 0.000 0.529 307 R N 1.745 122.197 120.500 -0.079 0.000 2.513 307 R HA 0.260 4.656 4.340 0.093 0.000 0.283 307 R C -1.241 174.962 176.300 -0.161 0.000 1.535 307 R CA -0.097 55.895 56.100 -0.181 0.000 1.315 307 R CB 1.247 31.456 30.300 -0.152 0.000 1.163 307 R HN 0.150 nan 8.270 nan 0.000 0.573 308 T N 3.659 118.118 114.554 -0.159 0.000 2.782 308 T HA 0.250 4.656 4.350 0.093 0.000 0.298 308 T C -0.084 174.572 174.700 -0.074 0.000 0.944 308 T CA 0.011 62.073 62.100 -0.062 0.000 1.001 308 T CB -0.172 68.685 68.868 -0.018 0.000 0.932 308 T HN 0.157 nan 8.240 nan 0.000 0.524 309 F N 2.574 122.541 119.950 0.029 0.000 2.420 309 F HA 0.432 5.015 4.527 0.093 0.000 0.352 309 F C 0.382 176.323 175.800 0.235 0.000 1.108 309 F CA -0.722 57.349 58.000 0.119 0.000 1.162 309 F CB 0.869 39.827 39.000 -0.069 0.000 1.118 309 F HN 0.188 nan 8.300 nan 0.000 0.510 310 V N 3.659 123.859 119.914 0.476 0.000 2.540 310 V HA 0.271 4.447 4.120 0.093 0.000 0.302 310 V C -0.166 175.950 176.094 0.036 0.000 1.035 310 V CA -1.178 61.228 62.300 0.175 0.000 0.873 310 V CB 1.533 33.224 31.823 -0.221 0.000 0.992 310 V HN 0.655 nan 8.190 nan 0.000 0.428 311 Q N 2.294 121.870 119.800 -0.373 0.000 2.330 311 Q HA 0.033 4.428 4.340 0.093 0.000 0.279 311 Q C 1.477 177.294 176.000 -0.305 0.000 1.024 311 Q CA 0.416 55.702 55.803 -0.862 0.000 0.900 311 Q CB 0.843 29.200 28.738 -0.634 0.000 1.221 311 Q HN 0.939 nan 8.270 nan 0.000 0.396 312 E N 2.654 122.678 120.200 -0.292 0.000 2.114 312 E HA -0.341 4.065 4.350 0.093 0.000 0.199 312 E C 0.322 176.910 176.600 -0.019 0.000 1.008 312 E CA 1.883 58.218 56.400 -0.108 0.000 0.810 312 E CB -0.069 29.553 29.700 -0.129 0.000 0.739 312 E HN 0.661 nan 8.360 nan 0.000 0.456 313 D N 1.054 121.425 120.400 -0.048 0.000 2.218 313 D HA -0.118 4.577 4.640 0.093 0.000 0.204 313 D C 2.033 178.359 176.300 0.042 0.000 0.976 313 D CA 1.578 55.577 54.000 -0.002 0.000 0.853 313 D CB -0.114 40.678 40.800 -0.014 0.000 0.939 313 D HN 0.652 nan 8.370 nan 0.000 0.481 314 I N -3.540 117.062 120.570 0.054 0.000 4.081 314 I HA 0.176 4.402 4.170 0.093 0.000 0.333 314 I C 1.789 177.999 176.117 0.155 0.000 1.413 314 I CA -0.576 60.782 61.300 0.098 0.000 1.110 314 I CB -0.076 37.980 38.000 0.094 0.000 1.082 314 I HN -0.256 nan 8.210 nan 0.000 0.402 315 Y N 2.912 123.229 120.300 0.027 0.000 2.053 315 Y HA -0.314 4.292 4.550 0.093 0.000 0.277 315 Y C 2.135 178.110 175.900 0.125 0.000 1.159 315 Y CA 2.375 60.514 58.100 0.064 0.000 1.125 315 Y CB -0.144 38.329 38.460 0.022 0.000 0.969 315 Y HN 0.219 nan 8.280 nan 0.000 0.492 316 D N 0.041 120.632 120.400 0.319 0.000 2.116 316 D HA -0.236 4.460 4.640 0.093 0.000 0.193 316 D C 2.104 178.453 176.300 0.083 0.000 0.998 316 D CA 1.845 55.966 54.000 0.200 0.000 0.836 316 D CB -0.500 40.403 40.800 0.173 0.000 0.951 316 D HN 0.606 nan 8.370 nan 0.000 0.449 317 E N -0.566 119.689 120.200 0.092 0.000 2.077 317 E HA -0.170 4.236 4.350 0.093 0.000 0.193 317 E C 2.096 178.721 176.600 0.042 0.000 0.989 317 E CA 0.455 56.891 56.400 0.060 0.000 0.800 317 E CB -0.173 29.569 29.700 0.071 0.000 0.746 317 E HN 0.210 nan 8.360 nan 0.000 0.452 318 F N 0.799 120.706 119.950 -0.071 0.000 2.075 318 F HA -0.233 4.350 4.527 0.093 0.000 0.297 318 F C 2.136 177.851 175.800 -0.142 0.000 1.113 318 F CA 1.456 59.396 58.000 -0.100 0.000 1.218 318 F CB -0.385 38.549 39.000 -0.111 0.000 0.984 318 F HN -0.138 nan 8.300 nan 0.000 0.472 319 V N 0.523 120.430 119.914 -0.013 0.000 2.324 319 V HA -0.353 3.823 4.120 0.093 0.000 0.250 319 V C 2.386 178.404 176.094 -0.127 0.000 1.060 319 V CA 2.383 64.611 62.300 -0.120 0.000 1.042 319 V CB -0.789 30.896 31.823 -0.230 0.000 0.650 319 V HN 0.445 nan 8.190 nan 0.000 0.450 320 E N -0.156 119.989 120.200 -0.093 0.000 2.058 320 E HA -0.242 4.163 4.350 0.093 0.000 0.194 320 E C 2.507 179.034 176.600 -0.122 0.000 0.997 320 E CA 1.394 57.748 56.400 -0.076 0.000 0.801 320 E CB -0.040 29.636 29.700 -0.040 0.000 0.746 320 E HN 0.527 nan 8.360 nan 0.000 0.450 321 R N -0.210 120.184 120.500 -0.178 0.000 2.115 321 R HA -0.026 4.370 4.340 0.093 0.000 0.230 321 R C 2.555 178.691 176.300 -0.272 0.000 1.111 321 R CA 1.234 57.203 56.100 -0.218 0.000 0.976 321 R CB -0.043 30.111 30.300 -0.243 0.000 0.870 321 R HN 0.045 nan 8.270 nan 0.000 0.445 322 S N 0.329 115.815 115.700 -0.357 0.000 2.368 322 S HA -0.087 4.439 4.470 0.093 0.000 0.224 322 S C 2.080 176.606 174.600 -0.123 0.000 1.029 322 S CA 1.053 59.085 58.200 -0.280 0.000 0.988 322 S CB -0.084 62.927 63.200 -0.316 0.000 0.838 322 S HN 0.061 nan 8.310 nan 0.000 0.462 323 V N 2.027 121.875 119.914 -0.111 0.000 2.358 323 V HA -0.174 4.002 4.120 0.093 0.000 0.246 323 V C 2.657 178.694 176.094 -0.095 0.000 1.047 323 V CA 1.657 63.913 62.300 -0.072 0.000 1.035 323 V CB -1.174 30.614 31.823 -0.058 0.000 0.658 323 V HN 0.534 nan 8.190 nan 0.000 0.452 324 A N 0.265 123.016 122.820 -0.115 0.000 1.902 324 A HA -0.261 4.115 4.320 0.093 0.000 0.217 324 A C 2.302 179.790 177.584 -0.160 0.000 1.181 324 A CA 2.180 54.145 52.037 -0.120 0.000 0.623 324 A CB -0.524 18.408 19.000 -0.113 0.000 0.818 324 A HN 0.453 nan 8.150 nan 0.000 0.443 325 R N 0.104 120.475 120.500 -0.215 0.000 2.092 325 R HA 0.010 4.406 4.340 0.093 0.000 0.231 325 R C 2.129 178.211 176.300 -0.364 0.000 1.119 325 R CA 1.823 57.714 56.100 -0.349 0.000 0.970 325 R CB -0.813 29.193 30.300 -0.491 0.000 0.864 325 R HN 0.397 nan 8.270 nan 0.000 0.440 326 A N 0.554 123.251 122.820 -0.206 0.000 1.898 326 A HA -0.139 4.236 4.320 0.093 0.000 0.216 326 A C 1.967 179.442 177.584 -0.182 0.000 1.181 326 A CA 1.652 53.578 52.037 -0.187 0.000 0.620 326 A CB -0.377 18.563 19.000 -0.100 0.000 0.819 326 A HN 0.368 nan 8.150 nan 0.000 0.442 327 K N 0.381 120.699 120.400 -0.136 0.000 2.148 327 K HA -0.093 4.282 4.320 0.093 0.000 0.204 327 K C 2.051 178.586 176.600 -0.109 0.000 1.050 327 K CA 1.494 57.717 56.287 -0.107 0.000 0.942 327 K CB -0.132 32.316 32.500 -0.085 0.000 0.724 327 K HN 0.647 nan 8.250 nan 0.000 0.446 328 S N 0.570 116.191 115.700 -0.132 0.000 2.593 328 S HA -0.004 4.522 4.470 0.093 0.000 0.217 328 S C 0.767 175.297 174.600 -0.116 0.000 0.966 328 S CA -0.310 57.820 58.200 -0.117 0.000 0.914 328 S CB -0.071 63.054 63.200 -0.124 0.000 0.776 328 S HN 0.132 nan 8.310 nan 0.000 0.523 329 R N 1.953 122.372 120.500 -0.136 0.000 2.404 329 R HA 0.245 4.641 4.340 0.093 0.000 0.315 329 R C -0.955 175.305 176.300 -0.066 0.000 1.032 329 R CA -0.179 55.861 56.100 -0.101 0.000 0.992 329 R CB 0.219 30.436 30.300 -0.138 0.000 0.959 329 R HN 0.163 nan 8.270 nan 0.000 0.428 330 V N 6.482 126.373 119.914 -0.037 0.000 2.446 330 V HA 0.076 4.251 4.120 0.093 0.000 0.276 330 V C 0.097 176.187 176.094 -0.007 0.000 1.030 330 V CA -0.153 62.131 62.300 -0.026 0.000 1.033 330 V CB 1.083 32.897 31.823 -0.017 0.000 0.993 330 V HN 0.471 nan 8.190 nan 0.000 0.477 331 V N 4.898 124.803 119.914 -0.014 0.000 2.435 331 V HA 1.016 5.191 4.120 0.093 0.000 0.290 331 V C 0.637 176.693 176.094 -0.064 0.000 1.030 331 V CA 0.477 62.788 62.300 0.020 0.000 0.881 331 V CB 0.940 32.791 31.823 0.047 0.000 0.983 331 V HN 1.125 nan 8.190 nan 0.000 0.445 332 G N 3.293 112.068 108.800 -0.041 0.000 2.399 332 G HA2 0.116 4.131 3.960 0.093 0.000 0.256 332 G HA3 0.116 4.131 3.960 0.093 0.000 0.256 332 G C -1.049 173.835 174.900 -0.026 0.000 1.236 332 G CA -0.797 44.176 45.100 -0.212 0.000 0.914 332 G HN 0.621 nan 8.290 nan 0.000 0.482 333 N N 2.330 121.004 118.700 -0.042 0.000 2.429 333 N HA 0.192 4.988 4.740 0.093 0.000 0.271 333 N C -0.585 174.982 175.510 0.095 0.000 1.272 333 N CA -1.266 51.830 53.050 0.077 0.000 0.921 333 N CB 1.386 39.910 38.487 0.062 0.000 1.128 333 N HN 0.150 nan 8.380 nan 0.000 0.481 334 P HA -0.151 nan 4.420 nan 0.000 0.221 334 P C 0.748 177.972 177.300 -0.125 0.000 1.145 334 P CA 1.234 64.296 63.100 -0.064 0.000 0.795 334 P CB -0.048 31.542 31.700 -0.184 0.000 0.775 335 F N -0.264 119.719 119.950 0.054 0.000 2.811 335 F HA 0.098 4.681 4.527 0.093 0.000 0.301 335 F C 1.313 177.125 175.800 0.020 0.000 1.151 335 F CA 0.112 58.124 58.000 0.021 0.000 1.412 335 F CB -0.093 38.873 39.000 -0.058 0.000 1.113 335 F HN -0.116 nan 8.300 nan 0.000 0.579 336 D N -0.195 120.302 120.400 0.162 0.000 2.277 336 D HA 0.048 4.743 4.640 0.093 0.000 0.249 336 D C 0.914 177.269 176.300 0.092 0.000 1.134 336 D CA 0.097 54.157 54.000 0.101 0.000 0.863 336 D CB 1.625 42.461 40.800 0.059 0.000 1.143 336 D HN -0.020 nan 8.370 nan 0.000 0.458 337 S N 3.202 118.954 115.700 0.088 0.000 2.402 337 S HA -0.187 4.338 4.470 0.093 0.000 0.233 337 S C 1.595 176.230 174.600 0.058 0.000 1.030 337 S CA 1.198 59.448 58.200 0.082 0.000 1.003 337 S CB 0.111 63.350 63.200 0.066 0.000 0.813 337 S HN 0.552 nan 8.310 nan 0.000 0.477 338 K N 0.759 121.183 120.400 0.041 0.000 2.288 338 K HA 0.040 4.416 4.320 0.093 0.000 0.201 338 K C 0.370 176.987 176.600 0.027 0.000 1.048 338 K CA 0.524 56.827 56.287 0.026 0.000 0.956 338 K CB -0.206 32.300 32.500 0.010 0.000 0.746 338 K HN 0.195 nan 8.250 nan 0.000 0.461 339 T N 2.080 116.655 114.554 0.035 0.000 2.867 339 T HA 0.004 4.410 4.350 0.093 0.000 0.297 339 T C 0.785 175.513 174.700 0.046 0.000 0.989 339 T CA 0.383 62.505 62.100 0.036 0.000 1.159 339 T CB 0.864 69.759 68.868 0.045 0.000 0.928 339 T HN 0.211 nan 8.240 nan 0.000 0.538 340 E N 1.756 121.983 120.200 0.046 0.000 2.290 340 E HA 0.059 4.465 4.350 0.093 0.000 0.197 340 E C 0.804 177.440 176.600 0.060 0.000 0.948 340 E CA 0.130 56.569 56.400 0.064 0.000 0.895 340 E CB 0.578 30.318 29.700 0.068 0.000 0.865 340 E HN 0.556 nan 8.360 nan 0.000 0.486 341 Q N 0.439 120.271 119.800 0.054 0.000 2.321 341 Q HA 0.438 4.833 4.340 0.093 0.000 0.270 341 Q C -0.522 175.542 176.000 0.108 0.000 1.032 341 Q CA -0.628 55.209 55.803 0.057 0.000 0.784 341 Q CB 1.736 30.510 28.738 0.060 0.000 1.264 341 Q HN 0.136 nan 8.270 nan 0.000 0.448 342 G N 3.186 112.017 108.800 0.051 0.000 2.543 342 G HA2 0.584 4.600 3.960 0.093 0.000 0.267 342 G HA3 0.584 4.600 3.960 0.093 0.000 0.267 342 G C -2.530 172.306 174.900 -0.107 0.000 1.406 342 G CA -0.986 44.157 45.100 0.072 0.000 1.048 342 G HN 0.563 nan 8.290 nan 0.000 0.548 343 P HA 0.232 nan 4.420 nan 0.000 0.279 343 P C -0.905 176.187 177.300 -0.346 0.000 1.276 343 P CA -0.425 62.156 63.100 -0.864 0.000 0.801 343 P CB 1.081 32.008 31.700 -1.289 0.000 1.127 344 Q N -0.126 119.553 119.800 -0.203 0.000 2.312 344 Q HA 0.084 4.479 4.340 0.093 0.000 0.236 344 Q C 1.368 177.269 176.000 -0.166 0.000 0.965 344 Q CA -0.489 55.253 55.803 -0.102 0.000 0.894 344 Q CB 0.551 29.306 28.738 0.027 0.000 1.225 344 Q HN 0.197 nan 8.270 nan 0.000 0.478 345 V N 0.764 120.500 119.914 -0.298 0.000 2.324 345 V HA -0.246 3.930 4.120 0.093 0.000 0.250 345 V C 0.390 176.260 176.094 -0.373 0.000 1.060 345 V CA 2.829 64.868 62.300 -0.434 0.000 1.042 345 V CB -0.100 31.139 31.823 -0.974 0.000 0.650 345 V HN 1.000 nan 8.190 nan 0.000 0.450 346 D N -3.614 116.503 120.400 -0.472 0.000 2.692 346 D HA 0.117 4.813 4.640 0.093 0.000 0.303 346 D C 0.702 176.386 176.300 -1.027 0.000 1.278 346 D CA -0.084 53.540 54.000 -0.627 0.000 0.852 346 D CB 0.585 41.117 40.800 -0.446 0.000 1.375 346 D HN -0.008 nan 8.370 nan 0.000 0.453 347 E N -0.521 118.966 120.200 -1.188 0.000 2.072 347 E HA -0.143 4.263 4.350 0.093 0.000 0.191 347 E C 1.224 177.666 176.600 -0.263 0.000 0.985 347 E CA 1.668 57.569 56.400 -0.832 0.000 0.801 347 E CB -0.099 29.329 29.700 -0.452 0.000 0.750 347 E HN 0.548 nan 8.360 nan 0.000 0.452 348 T N 1.478 115.897 114.554 -0.226 0.000 2.699 348 T HA -0.181 4.225 4.350 0.093 0.000 0.268 348 T C 1.811 176.473 174.700 -0.063 0.000 1.036 348 T CA 1.278 63.313 62.100 -0.109 0.000 1.147 348 T CB -0.138 68.674 68.868 -0.094 0.000 0.862 348 T HN 0.164 nan 8.240 nan 0.000 0.446 349 Q N -0.157 119.586 119.800 -0.095 0.000 2.123 349 Q HA 0.043 4.439 4.340 0.093 0.000 0.199 349 Q C 2.066 178.102 176.000 0.060 0.000 0.966 349 Q CA 0.824 56.627 55.803 0.000 0.000 0.845 349 Q CB -0.569 28.140 28.738 -0.048 0.000 0.907 349 Q HN 0.563 nan 8.270 nan 0.000 0.439 350 F N 2.135 121.993 119.950 -0.155 0.000 2.069 350 F HA -0.232 4.351 4.527 0.093 0.000 0.298 350 F C 1.976 177.765 175.800 -0.018 0.000 1.113 350 F CA 1.660 59.614 58.000 -0.077 0.000 1.214 350 F CB -0.004 38.919 39.000 -0.127 0.000 0.978 350 F HN -0.054 nan 8.300 nan 0.000 0.474 351 K N 0.037 120.397 120.400 -0.066 0.000 2.057 351 K HA -0.180 4.196 4.320 0.093 0.000 0.206 351 K C 2.205 178.729 176.600 -0.127 0.000 1.050 351 K CA 1.401 57.596 56.287 -0.153 0.000 0.935 351 K CB -0.286 32.188 32.500 -0.044 0.000 0.715 351 K HN 0.201 nan 8.250 nan 0.000 0.439 352 K N 1.161 121.524 120.400 -0.061 0.000 2.063 352 K HA -0.142 4.234 4.320 0.093 0.000 0.208 352 K C 1.981 178.585 176.600 0.007 0.000 1.048 352 K CA 1.322 57.581 56.287 -0.048 0.000 0.928 352 K CB -0.047 32.478 32.500 0.041 0.000 0.713 352 K HN 0.076 nan 8.250 nan 0.000 0.442 353 I N 0.672 121.281 120.570 0.065 0.000 2.286 353 I HA -0.265 3.960 4.170 0.093 0.000 0.245 353 I C 2.094 178.240 176.117 0.049 0.000 1.104 353 I CA 0.859 62.243 61.300 0.140 0.000 1.397 353 I CB -0.158 37.905 38.000 0.105 0.000 1.072 353 I HN 0.146 nan 8.210 nan 0.000 0.417 354 L N 0.561 121.713 121.223 -0.119 0.000 2.079 354 L HA -0.179 4.217 4.340 0.093 0.000 0.210 354 L C 2.664 179.499 176.870 -0.058 0.000 1.081 354 L CA 1.636 56.393 54.840 -0.139 0.000 0.752 354 L CB -1.132 40.751 42.059 -0.293 0.000 0.896 354 L HN 0.348 nan 8.230 nan 0.000 0.433 355 G N -1.196 107.548 108.800 -0.094 0.000 2.418 355 G HA2 -0.287 3.729 3.960 0.093 0.000 0.217 355 G HA3 -0.287 3.729 3.960 0.093 0.000 0.217 355 G C 1.390 176.237 174.900 -0.088 0.000 1.158 355 G CA 0.611 45.635 45.100 -0.126 0.000 0.771 355 G HN 0.317 nan 8.290 nan 0.000 0.545 356 Y N 0.385 120.692 120.300 0.011 0.000 2.242 356 Y HA 0.003 4.609 4.550 0.093 0.000 0.291 356 Y C 2.783 178.717 175.900 0.056 0.000 1.137 356 Y CA 0.494 58.608 58.100 0.023 0.000 1.181 356 Y CB -0.040 38.445 38.460 0.041 0.000 0.989 356 Y HN 0.113 nan 8.280 nan 0.000 0.527 357 I N 0.019 120.753 120.570 0.273 0.000 2.208 357 I HA -0.364 3.862 4.170 0.093 0.000 0.245 357 I C 2.471 178.755 176.117 0.278 0.000 1.097 357 I CA 1.368 62.876 61.300 0.346 0.000 1.363 357 I CB -0.427 37.706 38.000 0.222 0.000 1.051 357 I HN 0.358 nan 8.210 nan 0.000 0.413 358 N N 0.521 119.304 118.700 0.138 0.000 2.142 358 N HA -0.155 4.641 4.740 0.093 0.000 0.186 358 N C 1.762 177.306 175.510 0.058 0.000 1.023 358 N CA 1.970 55.072 53.050 0.088 0.000 0.852 358 N CB -0.017 38.489 38.487 0.032 0.000 0.998 358 N HN 0.261 nan 8.380 nan 0.000 0.424 359 T N -0.139 114.437 114.554 0.037 0.000 2.759 359 T HA -0.095 4.311 4.350 0.093 0.000 0.269 359 T C 1.739 176.410 174.700 -0.049 0.000 1.042 359 T CA 1.367 63.472 62.100 0.009 0.000 1.140 359 T CB -0.684 68.211 68.868 0.046 0.000 0.864 359 T HN 0.435 nan 8.240 nan 0.000 0.455 360 G N 1.711 110.435 108.800 -0.126 0.000 2.421 360 G HA2 -0.188 3.828 3.960 0.093 0.000 0.216 360 G HA3 -0.188 3.828 3.960 0.093 0.000 0.216 360 G C 1.592 176.322 174.900 -0.285 0.000 1.171 360 G CA 0.624 45.420 45.100 -0.506 0.000 0.775 360 G HN 0.438 nan 8.290 nan 0.000 0.543 361 K N 0.068 120.484 120.400 0.027 0.000 2.026 361 K HA -0.092 4.283 4.320 0.093 0.000 0.208 361 K C 2.709 179.337 176.600 0.046 0.000 1.048 361 K CA 1.246 57.613 56.287 0.133 0.000 0.929 361 K CB -0.183 32.422 32.500 0.174 0.000 0.713 361 K HN 0.202 nan 8.250 nan 0.000 0.439 362 Q N 1.033 120.846 119.800 0.021 0.000 2.135 362 Q HA -0.185 4.211 4.340 0.093 0.000 0.204 362 Q C 1.740 177.737 176.000 -0.005 0.000 0.981 362 Q CA 1.460 57.268 55.803 0.010 0.000 0.856 362 Q CB -0.153 28.587 28.738 0.004 0.000 0.902 362 Q HN 0.498 nan 8.270 nan 0.000 0.425 363 E N -0.778 119.403 120.200 -0.032 0.000 2.347 363 E HA -0.005 4.401 4.350 0.093 0.000 0.196 363 E C 0.897 177.482 176.600 -0.025 0.000 1.008 363 E CA 0.503 56.881 56.400 -0.037 0.000 0.852 363 E CB 0.172 29.831 29.700 -0.069 0.000 0.783 363 E HN 0.558 nan 8.360 nan 0.000 0.505 364 G N 0.781 109.573 108.800 -0.013 0.000 2.184 364 G HA2 -0.229 3.787 3.960 0.093 0.000 0.206 364 G HA3 -0.229 3.787 3.960 0.093 0.000 0.206 364 G C 0.320 175.235 174.900 0.024 0.000 0.995 364 G CA -0.129 44.978 45.100 0.012 0.000 0.651 364 G HN 0.439 nan 8.290 nan 0.000 0.511 365 A N 0.456 123.267 122.820 -0.015 0.000 2.425 365 A HA 0.575 4.950 4.320 0.093 0.000 0.249 365 A C 0.645 178.356 177.584 0.212 0.000 1.084 365 A CA 0.427 52.484 52.037 0.034 0.000 0.781 365 A CB 0.401 19.288 19.000 -0.189 0.000 1.019 365 A HN 0.388 nan 8.150 nan 0.000 0.490 366 K N 2.312 122.857 120.400 0.242 0.000 2.310 366 K HA 0.210 4.586 4.320 0.093 0.000 0.290 366 K C -0.753 176.009 176.600 0.271 0.000 1.077 366 K CA -0.428 55.996 56.287 0.229 0.000 0.922 366 K CB 0.160 32.756 32.500 0.159 0.000 1.057 366 K HN 0.592 nan 8.250 nan 0.000 0.479 367 L N 6.652 127.998 121.223 0.206 0.000 2.485 367 L HA 0.064 4.460 4.340 0.093 0.000 0.279 367 L C 0.424 177.265 176.870 -0.048 0.000 1.124 367 L CA 0.549 55.370 54.840 -0.031 0.000 0.888 367 L CB 0.290 42.327 42.059 -0.037 0.000 1.217 367 L HN 0.756 nan 8.230 nan 0.000 0.464 368 L N 4.768 125.941 121.223 -0.083 0.000 2.416 368 L HA 0.179 4.574 4.340 0.093 0.000 0.216 368 L C 0.538 177.369 176.870 -0.065 0.000 1.098 368 L CA 0.272 55.087 54.840 -0.042 0.000 0.840 368 L CB -0.176 41.875 42.059 -0.013 0.000 0.981 368 L HN 0.841 nan 8.230 nan 0.000 0.462 369 C N -3.201 116.032 119.300 -0.112 0.000 3.275 369 C HA 0.714 5.230 4.460 0.093 0.000 0.345 369 C C 0.629 175.552 174.990 -0.112 0.000 1.257 369 C CA -0.675 58.289 59.018 -0.090 0.000 1.203 369 C CB 0.798 28.499 27.740 -0.066 0.000 1.492 369 C HN 0.628 nan 8.230 nan 0.000 0.484 370 G N 1.002 109.757 108.800 -0.074 0.000 2.566 370 G HA2 0.367 4.383 3.960 0.093 0.000 0.280 370 G HA3 0.367 4.383 3.960 0.093 0.000 0.280 370 G C 1.288 176.145 174.900 -0.072 0.000 1.225 370 G CA 2.211 47.276 45.100 -0.058 0.000 0.966 370 G HN 3.350 nan 8.290 nan 0.000 0.560 371 G N -2.170 106.593 108.800 -0.061 0.000 2.179 371 G HA2 0.463 4.479 3.960 0.093 0.000 0.220 371 G HA3 0.463 4.479 3.960 0.093 0.000 0.220 371 G C 1.373 176.273 174.900 0.001 0.000 0.990 371 G CA 0.925 45.996 45.100 -0.048 0.000 0.646 371 G HN 2.584 nan 8.290 nan 0.000 0.517 372 G N -0.986 107.822 108.800 0.015 0.000 2.921 372 G HA2 0.671 4.687 3.960 0.093 0.000 0.291 372 G HA3 0.671 4.687 3.960 0.093 0.000 0.291 372 G C -0.286 174.657 174.900 0.071 0.000 1.370 372 G CA -0.780 44.339 45.100 0.030 0.000 0.847 372 G HN 0.635 nan 8.290 nan 0.000 0.532 373 I N 1.239 121.873 120.570 0.106 0.000 2.648 373 I HA 0.234 4.460 4.170 0.093 0.000 0.284 373 I C 1.447 177.662 176.117 0.163 0.000 1.153 373 I CA 0.004 61.429 61.300 0.209 0.000 1.426 373 I CB 1.614 39.776 38.000 0.269 0.000 1.381 373 I HN 0.549 nan 8.210 nan 0.000 0.571 374 A N 5.178 128.119 122.820 0.203 0.000 2.267 374 A HA 0.651 5.026 4.320 0.093 0.000 0.213 374 A C 0.751 178.361 177.584 0.043 0.000 1.192 374 A CA 0.621 52.729 52.037 0.118 0.000 0.851 374 A CB 0.080 19.165 19.000 0.141 0.000 0.881 374 A HN 0.852 nan 8.150 nan 0.000 0.494 375 A N -0.365 122.504 122.820 0.082 0.000 2.599 375 A HA 0.490 4.866 4.320 0.093 0.000 0.294 375 A C -0.118 177.492 177.584 0.042 0.000 1.055 375 A CA 0.118 52.145 52.037 -0.016 0.000 0.683 375 A CB 0.310 19.182 19.000 -0.214 0.000 1.278 375 A HN 0.120 nan 8.150 nan 0.000 0.412 376 D N 0.509 120.909 120.400 0.000 0.000 2.277 376 D HA -0.030 4.666 4.640 0.093 0.000 0.208 376 D C 0.267 176.554 176.300 -0.021 0.000 0.962 376 D CA 0.715 54.721 54.000 0.009 0.000 0.865 376 D CB 0.143 40.944 40.800 0.001 0.000 0.939 376 D HN 0.309 nan 8.370 nan 0.000 0.510 377 R N 0.658 121.136 120.500 -0.036 0.000 2.460 377 R HA 0.566 4.962 4.340 0.093 0.000 0.303 377 R C 0.907 177.197 176.300 -0.017 0.000 0.968 377 R CA 0.173 56.236 56.100 -0.063 0.000 0.889 377 R CB 1.234 31.500 30.300 -0.057 0.000 1.123 377 R HN 0.270 nan 8.270 nan 0.000 0.455 378 G N 1.646 110.291 108.800 -0.258 0.000 2.796 378 G HA2 -0.284 3.732 3.960 0.093 0.000 0.571 378 G HA3 -0.284 3.732 3.960 0.093 0.000 0.571 378 G C -0.947 173.477 174.900 -0.792 0.000 1.370 378 G CA -0.635 44.140 45.100 -0.541 0.000 0.856 378 G HN 0.613 nan 8.290 nan 0.000 0.538 379 Y N -0.208 119.755 120.300 -0.561 0.000 2.827 379 Y HA 0.553 5.158 4.550 0.093 0.000 0.373 379 Y C 0.566 176.183 175.900 -0.472 0.000 1.198 379 Y CA -0.760 56.876 58.100 -0.774 0.000 1.589 379 Y CB -0.002 38.072 38.460 -0.643 0.000 1.682 379 Y HN 0.338 nan 8.280 nan 0.000 0.506 380 F N 1.857 121.797 119.950 -0.017 0.000 2.404 380 F HA 0.496 5.079 4.527 0.093 0.000 0.345 380 F C 0.237 176.194 175.800 0.262 0.000 1.110 380 F CA -0.840 57.223 58.000 0.106 0.000 1.130 380 F CB 0.770 39.783 39.000 0.021 0.000 1.129 380 F HN 0.080 nan 8.300 nan 0.000 0.500 381 I N 2.604 123.389 120.570 0.359 0.000 2.509 381 I HA 0.245 4.471 4.170 0.093 0.000 0.293 381 I C -0.507 175.720 176.117 0.183 0.000 1.020 381 I CA -1.027 60.434 61.300 0.269 0.000 1.088 381 I CB 2.039 40.163 38.000 0.208 0.000 1.267 381 I HN 0.518 nan 8.210 nan 0.000 0.430 382 Q N 5.847 125.724 119.800 0.128 0.000 2.337 382 Q HA 0.172 4.568 4.340 0.093 0.000 0.270 382 Q C -2.300 173.739 176.000 0.065 0.000 1.002 382 Q CA -1.469 54.377 55.803 0.072 0.000 0.888 382 Q CB 0.272 29.031 28.738 0.035 0.000 1.222 382 Q HN 0.244 nan 8.270 nan 0.000 0.400 383 P HA -0.042 nan 4.420 nan 0.000 0.260 383 P C -1.123 176.217 177.300 0.065 0.000 1.207 383 P CA 0.543 63.660 63.100 0.028 0.000 0.780 383 P CB 0.530 32.064 31.700 -0.277 0.000 0.789 384 T N 3.109 117.757 114.554 0.157 0.000 2.824 384 T HA 0.479 4.884 4.350 0.093 0.000 0.280 384 T C -0.240 174.471 174.700 0.018 0.000 0.995 384 T CA -0.404 61.696 62.100 -0.001 0.000 1.009 384 T CB 0.967 69.789 68.868 -0.077 0.000 0.955 384 T HN -0.059 nan 8.240 nan 0.000 0.452 385 V N 3.622 123.461 119.914 -0.125 0.000 2.577 385 V HA 0.495 4.671 4.120 0.093 0.000 0.303 385 V C -1.048 174.929 176.094 -0.195 0.000 1.042 385 V CA -0.923 61.342 62.300 -0.058 0.000 0.872 385 V CB 1.386 33.236 31.823 0.045 0.000 0.998 385 V HN 0.837 nan 8.190 nan 0.000 0.423 386 F N 2.367 122.344 119.950 0.046 0.000 2.436 386 F HA 0.759 5.342 4.527 0.093 0.000 0.340 386 F C 0.963 176.795 175.800 0.054 0.000 1.113 386 F CA -0.258 57.768 58.000 0.043 0.000 1.022 386 F CB 2.023 41.039 39.000 0.027 0.000 1.128 386 F HN 0.598 nan 8.300 nan 0.000 0.466 387 G N 0.849 109.815 108.800 0.276 0.000 2.471 387 G HA2 0.299 4.315 3.960 0.093 0.000 0.332 387 G HA3 0.299 4.315 3.960 0.093 0.000 0.332 387 G C -0.440 174.607 174.900 0.245 0.000 1.176 387 G CA -0.539 44.706 45.100 0.243 0.000 0.949 387 G HN 0.725 nan 8.290 nan 0.000 0.488 388 D N -0.979 119.599 120.400 0.297 0.000 2.708 388 D HA -0.168 4.528 4.640 0.093 0.000 0.236 388 D C 0.706 177.070 176.300 0.107 0.000 1.146 388 D CA 0.585 54.694 54.000 0.181 0.000 0.662 388 D CB -0.728 40.142 40.800 0.118 0.000 1.059 388 D HN 0.161 nan 8.370 nan 0.000 0.428 389 V N 0.890 120.861 119.914 0.096 0.000 2.811 389 V HA 0.054 4.230 4.120 0.093 0.000 0.302 389 V C 0.863 176.962 176.094 0.008 0.000 1.063 389 V CA 0.208 62.521 62.300 0.022 0.000 1.088 389 V CB 1.711 33.526 31.823 -0.013 0.000 0.982 389 V HN 0.077 nan 8.190 nan 0.000 0.485 390 Q N 1.548 121.345 119.800 -0.005 0.000 2.301 390 Q HA 0.337 4.733 4.340 0.093 0.000 0.267 390 Q C 0.397 176.404 176.000 0.012 0.000 1.035 390 Q CA -0.749 55.064 55.803 0.016 0.000 0.856 390 Q CB 1.532 30.280 28.738 0.018 0.000 1.337 390 Q HN 0.675 nan 8.270 nan 0.000 0.450 391 D N 1.064 121.494 120.400 0.049 0.000 2.221 391 D HA -0.116 4.579 4.640 0.093 0.000 0.204 391 D C 1.400 177.724 176.300 0.039 0.000 0.982 391 D CA 1.524 55.562 54.000 0.064 0.000 0.857 391 D CB 0.035 40.900 40.800 0.109 0.000 0.934 391 D HN 0.803 nan 8.370 nan 0.000 0.475 392 G N -0.381 108.435 108.800 0.028 0.000 2.712 392 G HA2 0.024 4.040 3.960 0.093 0.000 0.212 392 G HA3 0.024 4.040 3.960 0.093 0.000 0.212 392 G C 0.761 175.666 174.900 0.007 0.000 1.142 392 G CA -0.246 44.866 45.100 0.019 0.000 0.789 392 G HN 0.153 nan 8.290 nan 0.000 0.535 393 M N 0.653 120.249 119.600 -0.007 0.000 2.248 393 M HA 0.129 4.665 4.480 0.093 0.000 0.337 393 M C 1.756 178.045 176.300 -0.019 0.000 1.121 393 M CA 0.011 55.295 55.300 -0.027 0.000 1.155 393 M CB 0.913 33.475 32.600 -0.063 0.000 1.514 393 M HN -0.083 nan 8.290 nan 0.000 0.452 394 T N 2.192 116.742 114.554 -0.007 0.000 2.777 394 T HA -0.076 4.330 4.350 0.093 0.000 0.266 394 T C 1.557 176.255 174.700 -0.003 0.000 1.040 394 T CA 1.481 63.601 62.100 0.033 0.000 1.141 394 T CB -0.408 68.513 68.868 0.089 0.000 0.868 394 T HN 0.757 nan 8.240 nan 0.000 0.444 395 I N -0.221 120.309 120.570 -0.066 0.000 2.850 395 I HA 0.121 4.346 4.170 0.093 0.000 0.266 395 I C 2.095 178.131 176.117 -0.135 0.000 1.257 395 I CA 0.898 62.109 61.300 -0.149 0.000 1.465 395 I CB -0.389 37.468 38.000 -0.238 0.000 1.091 395 I HN 0.076 nan 8.210 nan 0.000 0.467 396 A N 0.647 123.415 122.820 -0.087 0.000 2.348 396 A HA 0.253 4.629 4.320 0.093 0.000 0.224 396 A C 2.031 179.610 177.584 -0.008 0.000 1.227 396 A CA -0.077 51.922 52.037 -0.063 0.000 0.885 396 A CB -0.024 18.939 19.000 -0.061 0.000 0.933 396 A HN 0.411 nan 8.150 nan 0.000 0.506 397 K N -0.325 120.079 120.400 0.008 0.000 2.403 397 K HA 0.161 4.537 4.320 0.093 0.000 0.199 397 K C -0.222 176.446 176.600 0.113 0.000 1.199 397 K CA 0.251 56.578 56.287 0.066 0.000 0.924 397 K CB 0.703 33.237 32.500 0.056 0.000 1.137 397 K HN 0.422 nan 8.250 nan 0.000 0.510 398 E N 1.848 122.073 120.200 0.042 0.000 2.204 398 E HA 0.098 4.504 4.350 0.093 0.000 0.276 398 E C -1.026 175.495 176.600 -0.131 0.000 0.974 398 E CA -0.352 56.077 56.400 0.049 0.000 0.815 398 E CB 1.852 31.622 29.700 0.118 0.000 1.119 398 E HN 0.065 nan 8.360 nan 0.000 0.393 399 E N 3.127 123.301 120.200 -0.043 0.000 2.220 399 E HA 0.014 4.419 4.350 0.093 0.000 0.272 399 E C 0.303 176.821 176.600 -0.136 0.000 1.099 399 E CA -0.021 56.318 56.400 -0.102 0.000 0.907 399 E CB 0.365 30.006 29.700 -0.098 0.000 1.022 399 E HN 0.530 nan 8.360 nan 0.000 0.428 400 I N 4.468 124.902 120.570 -0.226 0.000 2.406 400 I HA -0.099 4.127 4.170 0.093 0.000 0.249 400 I C 0.585 176.832 176.117 0.217 0.000 1.122 400 I CA 0.226 61.418 61.300 -0.180 0.000 1.431 400 I CB 0.008 37.874 38.000 -0.223 0.000 1.087 400 I HN 0.699 nan 8.210 nan 0.000 0.424 401 F N 1.217 121.146 119.950 -0.034 0.000 3.043 401 F HA -0.177 4.405 4.527 0.092 0.000 0.290 401 F C 0.457 176.295 175.800 0.063 0.000 0.844 401 F CA 0.608 58.628 58.000 0.034 0.000 1.184 401 F CB -1.415 37.652 39.000 0.112 0.000 1.246 401 F HN 0.144 nan 8.300 nan 0.000 0.536 402 G N -0.665 108.168 108.800 0.056 0.000 2.766 402 G HA2 0.643 4.659 3.960 0.093 0.000 0.288 402 G HA3 0.643 4.659 3.960 0.093 0.000 0.288 402 G C -2.895 171.987 174.900 -0.030 0.000 1.408 402 G CA -0.762 44.361 45.100 0.039 0.000 0.852 402 G HN -0.136 nan 8.290 nan 0.000 0.487 403 P HA 0.213 nan 4.420 nan 0.000 0.232 403 P C -0.584 176.782 177.300 0.109 0.000 1.738 403 P CA 0.030 63.195 63.100 0.108 0.000 0.948 403 P CB 0.103 31.971 31.700 0.280 0.000 1.943 404 V N 3.105 122.982 119.914 -0.062 0.000 2.380 404 V HA 0.313 4.488 4.120 0.093 0.000 0.286 404 V C 0.352 176.384 176.094 -0.104 0.000 1.015 404 V CA -0.657 61.646 62.300 0.005 0.000 0.834 404 V CB 1.813 33.705 31.823 0.114 0.000 1.009 404 V HN 0.300 nan 8.190 nan 0.000 0.428 405 M N 4.157 123.691 119.600 -0.109 0.000 2.216 405 M HA 0.528 5.064 4.480 0.093 0.000 0.356 405 M C -0.700 175.625 176.300 0.042 0.000 1.205 405 M CA -0.196 55.022 55.300 -0.136 0.000 1.122 405 M CB 1.188 33.712 32.600 -0.127 0.000 1.571 405 M HN 0.622 nan 8.290 nan 0.000 0.464 406 Q N 5.230 125.030 119.800 -0.001 0.000 2.341 406 Q HA 0.557 4.953 4.340 0.093 0.000 0.268 406 Q C -1.316 174.677 176.000 -0.011 0.000 1.013 406 Q CA 0.025 55.849 55.803 0.036 0.000 0.798 406 Q CB 1.777 30.491 28.738 -0.041 0.000 1.253 406 Q HN 0.699 nan 8.270 nan 0.000 0.457 407 I N 4.082 124.684 120.570 0.053 0.000 2.355 407 I HA 0.351 4.577 4.170 0.093 0.000 0.288 407 I C -0.915 175.264 176.117 0.104 0.000 0.999 407 I CA -0.818 60.513 61.300 0.052 0.000 1.163 407 I CB 0.740 38.788 38.000 0.080 0.000 1.316 407 I HN 0.328 nan 8.210 nan 0.000 0.454 408 L N 6.589 127.820 121.223 0.014 0.000 2.334 408 L HA 0.537 4.933 4.340 0.093 0.000 0.270 408 L C -0.024 177.049 176.870 0.338 0.000 1.018 408 L CA -0.470 54.417 54.840 0.078 0.000 0.811 408 L CB 1.138 43.055 42.059 -0.237 0.000 1.271 408 L HN 0.459 nan 8.230 nan 0.000 0.443 409 K N 1.594 122.179 120.400 0.308 0.000 2.164 409 K HA 0.719 5.095 4.320 0.093 0.000 0.258 409 K C -1.498 175.317 176.600 0.358 0.000 0.951 409 K CA -0.480 55.962 56.287 0.258 0.000 0.844 409 K CB 1.410 33.784 32.500 -0.211 0.000 1.099 409 K HN 0.538 nan 8.250 nan 0.000 0.435 410 F N 0.814 120.848 119.950 0.141 0.000 2.662 410 F HA 0.443 5.027 4.527 0.094 0.000 0.312 410 F C 0.079 175.914 175.800 0.058 0.000 1.113 410 F CA -0.929 57.136 58.000 0.108 0.000 0.951 410 F CB 1.658 40.734 39.000 0.127 0.000 1.344 410 F HN 0.536 nan 8.300 nan 0.000 0.462 411 K N 0.091 120.549 120.400 0.096 0.000 2.267 411 K HA 0.214 4.589 4.320 0.093 0.000 0.213 411 K C 0.293 176.919 176.600 0.044 0.000 1.060 411 K CA 1.047 57.310 56.287 -0.040 0.000 0.935 411 K CB 0.237 32.745 32.500 0.013 0.000 1.096 411 K HN 0.898 nan 8.250 nan 0.000 0.468 412 T N -1.904 112.770 114.554 0.201 0.000 2.952 412 T HA 0.266 4.672 4.350 0.093 0.000 0.286 412 T C 1.148 176.018 174.700 0.283 0.000 1.024 412 T CA -0.817 61.391 62.100 0.180 0.000 1.029 412 T CB 1.450 70.370 68.868 0.087 0.000 1.094 412 T HN 0.199 nan 8.240 nan 0.000 0.515 413 I N 0.200 120.873 120.570 0.171 0.000 2.546 413 I HA -0.050 4.175 4.170 0.093 0.000 0.255 413 I C 1.962 178.130 176.117 0.085 0.000 1.163 413 I CA 1.231 62.608 61.300 0.128 0.000 1.457 413 I CB -0.010 38.008 38.000 0.030 0.000 1.092 413 I HN 0.740 nan 8.210 nan 0.000 0.434 414 E N 0.523 120.758 120.200 0.058 0.000 2.152 414 E HA -0.230 4.176 4.350 0.093 0.000 0.192 414 E C 1.916 178.544 176.600 0.047 0.000 0.983 414 E CA 0.906 57.358 56.400 0.086 0.000 0.818 414 E CB -0.124 29.608 29.700 0.053 0.000 0.758 414 E HN 0.503 nan 8.360 nan 0.000 0.467 415 E N 0.546 120.770 120.200 0.040 0.000 2.028 415 E HA -0.152 4.254 4.350 0.093 0.000 0.191 415 E C 2.068 178.610 176.600 -0.097 0.000 0.988 415 E CA 1.033 57.443 56.400 0.016 0.000 0.799 415 E CB -0.022 29.731 29.700 0.089 0.000 0.755 415 E HN 0.157 nan 8.360 nan 0.000 0.447 416 V N 0.626 120.409 119.914 -0.217 0.000 2.490 416 V HA -0.191 3.985 4.120 0.093 0.000 0.250 416 V C 2.323 178.124 176.094 -0.488 0.000 1.061 416 V CA 1.312 63.245 62.300 -0.612 0.000 1.064 416 V CB 0.017 31.083 31.823 -1.261 0.000 0.670 416 V HN 0.215 nan 8.190 nan 0.000 0.461 417 V N 0.592 120.363 119.914 -0.238 0.000 2.295 417 V HA -0.168 4.008 4.120 0.093 0.000 0.246 417 V C 2.669 178.674 176.094 -0.150 0.000 1.049 417 V CA 2.239 64.442 62.300 -0.161 0.000 1.024 417 V CB -1.404 30.392 31.823 -0.044 0.000 0.648 417 V HN 0.623 nan 8.190 nan 0.000 0.447 418 G N -0.475 108.261 108.800 -0.107 0.000 2.422 418 G HA2 -0.213 3.803 3.960 0.093 0.000 0.218 418 G HA3 -0.213 3.803 3.960 0.093 0.000 0.218 418 G C 1.761 176.611 174.900 -0.084 0.000 1.146 418 G CA 0.616 45.674 45.100 -0.071 0.000 0.769 418 G HN 0.447 nan 8.290 nan 0.000 0.547 419 R N 0.394 120.804 120.500 -0.151 0.000 2.073 419 R HA 0.144 4.540 4.340 0.093 0.000 0.229 419 R C 3.018 179.248 176.300 -0.118 0.000 1.120 419 R CA 1.020 57.052 56.100 -0.113 0.000 0.967 419 R CB -0.337 29.877 30.300 -0.143 0.000 0.862 419 R HN 0.319 nan 8.270 nan 0.000 0.436 420 A N 1.524 124.135 122.820 -0.349 0.000 1.933 420 A HA -0.152 4.224 4.320 0.093 0.000 0.218 420 A C 1.664 179.228 177.584 -0.033 0.000 1.175 420 A CA 1.429 53.355 52.037 -0.185 0.000 0.628 420 A CB -0.346 18.474 19.000 -0.300 0.000 0.814 420 A HN 0.216 nan 8.150 nan 0.000 0.444 421 N N 0.269 118.932 118.700 -0.062 0.000 2.354 421 N HA -0.078 4.718 4.740 0.093 0.000 0.179 421 N C 0.485 176.001 175.510 0.011 0.000 1.021 421 N CA 0.528 53.565 53.050 -0.021 0.000 0.887 421 N CB -0.558 37.906 38.487 -0.037 0.000 0.974 421 N HN 0.453 nan 8.380 nan 0.000 0.437 422 N N 1.083 119.792 118.700 0.015 0.000 2.605 422 N HA 0.018 4.814 4.740 0.093 0.000 0.282 422 N C -1.292 174.250 175.510 0.052 0.000 1.206 422 N CA 0.172 53.239 53.050 0.029 0.000 1.074 422 N CB -0.245 38.262 38.487 0.032 0.000 1.434 422 N HN -0.066 nan 8.380 nan 0.000 0.506 423 S N 0.306 116.032 115.700 0.042 0.000 2.552 423 S HA 0.246 4.771 4.470 0.093 0.000 0.272 423 S C 0.864 175.458 174.600 -0.009 0.000 1.150 423 S CA -0.340 57.889 58.200 0.049 0.000 0.849 423 S CB 0.230 63.507 63.200 0.127 0.000 1.113 423 S HN 0.456 nan 8.310 nan 0.000 0.458 424 T N 0.590 115.074 114.554 -0.117 0.000 3.055 424 T HA 0.217 4.623 4.350 0.093 0.000 0.265 424 T C 0.572 175.131 174.700 -0.234 0.000 1.111 424 T CA 0.691 62.655 62.100 -0.226 0.000 1.118 424 T CB -0.508 68.134 68.868 -0.376 0.000 0.909 424 T HN 0.541 nan 8.240 nan 0.000 0.501 425 Y N 0.619 120.941 120.300 0.037 0.000 2.354 425 Y HA 0.579 5.184 4.550 0.092 0.000 0.322 425 Y C 1.261 177.179 175.900 0.030 0.000 1.253 425 Y CA -0.837 57.286 58.100 0.038 0.000 1.272 425 Y CB 1.608 40.096 38.460 0.048 0.000 1.255 425 Y HN 0.112 nan 8.280 nan 0.000 0.500 426 G N 1.271 110.191 108.800 0.201 0.000 5.374 426 G HA2 0.114 4.130 3.960 0.093 0.000 0.198 426 G HA3 0.114 4.130 3.960 0.093 0.000 0.198 426 G C -0.210 174.654 174.900 -0.061 0.000 0.812 426 G CA -0.243 44.889 45.100 0.054 0.000 0.614 426 G HN 0.543 nan 8.290 nan 0.000 0.357 427 L N 0.609 121.820 121.223 -0.021 0.000 2.049 427 L HA 0.760 5.156 4.340 0.093 0.000 0.203 427 L C 1.149 177.923 176.870 -0.160 0.000 1.074 427 L CA 2.224 57.004 54.840 -0.100 0.000 0.749 427 L CB -0.083 41.981 42.059 0.009 0.000 0.907 427 L HN 0.455 nan 8.230 nan 0.000 0.439 428 A N -2.106 120.667 122.820 -0.078 0.000 2.583 428 A HA 0.909 5.285 4.320 0.093 0.000 0.289 428 A C -1.434 176.089 177.584 -0.101 0.000 1.151 428 A CA -0.083 51.839 52.037 -0.192 0.000 0.695 428 A CB 0.966 19.902 19.000 -0.107 0.000 1.290 428 A HN 0.581 nan 8.150 nan 0.000 0.419 429 A N -1.376 121.342 122.820 -0.169 0.000 2.567 429 A HA 0.970 5.346 4.320 0.093 0.000 0.291 429 A C -0.712 176.914 177.584 0.070 0.000 1.048 429 A CA 0.151 52.205 52.037 0.029 0.000 0.661 429 A CB 0.397 19.371 19.000 -0.043 0.000 1.288 429 A HN 2.691 nan 8.150 nan 0.000 0.424 430 A N -0.353 122.634 122.820 0.277 0.000 2.587 430 A HA 0.843 5.219 4.320 0.093 0.000 0.293 430 A C -1.507 176.268 177.584 0.317 0.000 1.087 430 A CA -0.472 51.776 52.037 0.351 0.000 0.692 430 A CB 1.538 20.979 19.000 0.735 0.000 1.291 430 A HN 1.875 nan 8.150 nan 0.000 0.407 431 V N 0.642 120.686 119.914 0.217 0.000 2.686 431 V HA 0.587 4.762 4.120 0.093 0.000 0.306 431 V C -1.654 174.504 176.094 0.106 0.000 1.065 431 V CA -0.304 62.124 62.300 0.213 0.000 0.894 431 V CB 1.624 33.507 31.823 0.101 0.000 1.004 431 V HN 0.708 nan 8.190 nan 0.000 0.424 432 F N 2.458 122.517 119.950 0.181 0.000 2.427 432 F HA 0.811 5.394 4.527 0.095 0.000 0.348 432 F C 0.341 176.245 175.800 0.174 0.000 1.125 432 F CA -0.275 57.844 58.000 0.199 0.000 0.989 432 F CB 2.109 41.235 39.000 0.210 0.000 1.165 432 F HN 0.530 nan 8.300 nan 0.000 0.442 433 T N 1.870 116.566 114.554 0.237 0.000 2.775 433 T HA 0.279 4.684 4.350 0.093 0.000 0.320 433 T C 0.045 174.824 174.700 0.132 0.000 1.597 433 T CA -0.655 61.554 62.100 0.183 0.000 1.022 433 T CB 1.521 70.478 68.868 0.148 0.000 1.485 433 T HN 0.659 nan 8.240 nan 0.000 0.494 434 K N 0.427 120.893 120.400 0.110 0.000 2.354 434 K HA 0.182 4.558 4.320 0.093 0.000 0.194 434 K C -0.169 176.466 176.600 0.058 0.000 1.045 434 K CA -0.067 56.266 56.287 0.077 0.000 1.026 434 K CB 0.270 32.814 32.500 0.072 0.000 0.866 434 K HN 0.523 nan 8.250 nan 0.000 0.530 435 D N 1.081 121.519 120.400 0.063 0.000 2.348 435 D HA -0.003 4.693 4.640 0.093 0.000 0.253 435 D C 0.921 177.250 176.300 0.048 0.000 1.161 435 D CA -0.236 53.794 54.000 0.050 0.000 0.876 435 D CB 1.011 41.842 40.800 0.050 0.000 1.160 435 D HN -0.147 nan 8.370 nan 0.000 0.459 436 L N 4.216 125.462 121.223 0.038 0.000 1.994 436 L HA -0.132 4.264 4.340 0.093 0.000 0.208 436 L C 1.334 178.233 176.870 0.047 0.000 1.071 436 L CA 1.894 56.756 54.840 0.036 0.000 0.745 436 L CB -0.492 41.583 42.059 0.027 0.000 0.892 436 L HN 0.511 nan 8.230 nan 0.000 0.431 437 D N -0.193 120.234 120.400 0.046 0.000 2.123 437 D HA -0.200 4.495 4.640 0.093 0.000 0.196 437 D C 2.182 178.538 176.300 0.093 0.000 0.992 437 D CA 1.419 55.455 54.000 0.059 0.000 0.833 437 D CB -0.069 40.752 40.800 0.035 0.000 0.954 437 D HN 0.432 nan 8.370 nan 0.000 0.455 438 K N 0.508 120.953 120.400 0.076 0.000 2.026 438 K HA -0.046 4.329 4.320 0.093 0.000 0.208 438 K C 2.174 178.860 176.600 0.142 0.000 1.048 438 K CA 1.119 57.470 56.287 0.106 0.000 0.929 438 K CB -0.091 32.459 32.500 0.084 0.000 0.713 438 K HN 0.018 nan 8.250 nan 0.000 0.439 439 A N 2.011 124.889 122.820 0.097 0.000 1.883 439 A HA -0.208 4.168 4.320 0.093 0.000 0.217 439 A C 1.851 179.472 177.584 0.062 0.000 1.186 439 A CA 1.764 53.843 52.037 0.070 0.000 0.624 439 A CB -0.538 18.488 19.000 0.043 0.000 0.822 439 A HN 0.237 nan 8.150 nan 0.000 0.444 440 N N -1.596 117.145 118.700 0.069 0.000 2.188 440 N HA -0.149 4.647 4.740 0.093 0.000 0.184 440 N C 1.592 177.135 175.510 0.056 0.000 1.018 440 N CA 1.611 54.690 53.050 0.049 0.000 0.858 440 N CB -0.594 37.922 38.487 0.048 0.000 0.989 440 N HN 0.678 nan 8.380 nan 0.000 0.426 441 Y N 1.618 121.915 120.300 -0.004 0.000 2.097 441 Y HA -0.114 4.492 4.550 0.094 0.000 0.282 441 Y C 2.225 178.114 175.900 -0.018 0.000 1.152 441 Y CA 1.493 59.588 58.100 -0.007 0.000 1.136 441 Y CB -0.483 37.978 38.460 0.001 0.000 0.975 441 Y HN -0.046 nan 8.280 nan 0.000 0.498 442 L N -0.189 121.071 121.223 0.061 0.000 2.056 442 L HA -0.206 4.190 4.340 0.093 0.000 0.207 442 L C 2.772 179.576 176.870 -0.111 0.000 1.078 442 L CA 1.582 56.393 54.840 -0.048 0.000 0.749 442 L CB -0.827 41.270 42.059 0.063 0.000 0.901 442 L HN 0.396 nan 8.230 nan 0.000 0.433 443 S N -0.938 114.719 115.700 -0.073 0.000 2.442 443 S HA -0.291 4.235 4.470 0.093 0.000 0.236 443 S C 1.863 176.389 174.600 -0.123 0.000 1.007 443 S CA 1.468 59.609 58.200 -0.098 0.000 0.965 443 S CB -0.322 62.833 63.200 -0.075 0.000 0.773 443 S HN 0.553 nan 8.310 nan 0.000 0.504 444 Q N 0.965 120.682 119.800 -0.138 0.000 2.123 444 Q HA 0.199 4.595 4.340 0.093 0.000 0.196 444 Q C 2.243 178.138 176.000 -0.176 0.000 0.958 444 Q CA 0.877 56.595 55.803 -0.142 0.000 0.841 444 Q CB -0.481 28.174 28.738 -0.139 0.000 0.915 444 Q HN 0.653 nan 8.270 nan 0.000 0.455 445 A N 0.936 123.591 122.820 -0.276 0.000 1.929 445 A HA 0.061 4.437 4.320 0.093 0.000 0.216 445 A C 0.973 178.451 177.584 -0.176 0.000 1.176 445 A CA 0.269 52.134 52.037 -0.287 0.000 0.628 445 A CB -0.512 18.186 19.000 -0.503 0.000 0.816 445 A HN 0.389 nan 8.150 nan 0.000 0.444 446 L N 0.868 121.992 121.223 -0.166 0.000 2.513 446 L HA 0.033 4.429 4.340 0.093 0.000 0.272 446 L C 0.082 176.871 176.870 -0.135 0.000 1.187 446 L CA -0.044 54.712 54.840 -0.140 0.000 0.895 446 L CB 0.375 42.347 42.059 -0.144 0.000 1.147 446 L HN 0.404 nan 8.230 nan 0.000 0.483 447 Q N 3.665 123.409 119.800 -0.094 0.000 2.681 447 Q HA 0.556 4.952 4.340 0.093 0.000 0.222 447 Q C -0.464 175.357 176.000 -0.297 0.000 1.258 447 Q CA -0.238 55.542 55.803 -0.038 0.000 1.014 447 Q CB 1.020 29.828 28.738 0.118 0.000 1.384 447 Q HN 0.696 nan 8.270 nan 0.000 0.570 448 A N 0.103 122.498 122.820 -0.709 0.000 2.572 448 A HA 0.678 5.054 4.320 0.093 0.000 0.295 448 A C 0.801 177.714 177.584 -1.118 0.000 1.072 448 A CA -0.453 51.122 52.037 -0.770 0.000 0.691 448 A CB 1.176 19.932 19.000 -0.406 0.000 1.291 448 A HN 0.583 nan 8.150 nan 0.000 0.404 449 G N -0.109 108.173 108.800 -0.864 0.000 2.471 449 G HA2 0.321 4.337 3.960 0.093 0.000 0.219 449 G HA3 0.321 4.337 3.960 0.093 0.000 0.219 449 G C 0.431 175.062 174.900 -0.448 0.000 1.125 449 G CA 1.570 46.314 45.100 -0.593 0.000 0.775 449 G HN 0.848 nan 8.290 nan 0.000 0.548 450 T N -0.152 114.103 114.554 -0.498 0.000 2.937 450 T HA 0.488 4.894 4.350 0.093 0.000 0.297 450 T C -1.153 173.080 174.700 -0.778 0.000 0.991 450 T CA -0.394 61.340 62.100 -0.610 0.000 0.990 450 T CB 2.650 71.124 68.868 -0.656 0.000 0.991 450 T HN -0.114 nan 8.240 nan 0.000 0.440 451 V N 3.946 123.461 119.914 -0.665 0.000 2.407 451 V HA 0.460 4.636 4.120 0.093 0.000 0.291 451 V C -0.719 175.079 176.094 -0.492 0.000 1.018 451 V CA -0.984 61.011 62.300 -0.509 0.000 0.842 451 V CB 1.306 32.955 31.823 -0.290 0.000 0.996 451 V HN 0.763 nan 8.190 nan 0.000 0.426 452 W N 3.582 124.771 121.300 -0.184 0.000 2.417 452 W HA 0.634 5.350 4.660 0.093 0.000 0.317 452 W C -0.536 175.878 176.519 -0.176 0.000 1.121 452 W CA -0.751 56.476 57.345 -0.198 0.000 1.208 452 W CB 1.850 31.148 29.460 -0.270 0.000 1.253 452 W HN 0.256 nan 8.180 nan 0.000 0.533 453 V N 4.764 124.696 119.914 0.029 0.000 2.378 453 V HA 0.134 4.310 4.120 0.093 0.000 0.288 453 V C 0.165 176.138 176.094 -0.201 0.000 1.016 453 V CA -0.920 61.324 62.300 -0.094 0.000 0.840 453 V CB 1.013 32.809 31.823 -0.044 0.000 0.994 453 V HN 0.667 nan 8.190 nan 0.000 0.431 454 N N 2.231 120.576 118.700 -0.592 0.000 2.747 454 N HA -0.172 4.624 4.740 0.093 0.000 0.249 454 N C -0.312 175.080 175.510 -0.198 0.000 1.107 454 N CA 1.248 53.900 53.050 -0.664 0.000 0.707 454 N CB -1.076 37.381 38.487 -0.050 0.000 1.054 454 N HN 1.078 nan 8.380 nan 0.000 0.555 455 C N -4.062 115.037 119.300 -0.335 0.000 3.259 455 C HA 0.796 5.311 4.460 0.093 0.000 0.344 455 C C -1.213 173.823 174.990 0.076 0.000 1.401 455 C CA -1.328 57.731 59.018 0.068 0.000 1.219 455 C CB 1.746 29.519 27.740 0.055 0.000 1.521 455 C HN 0.289 nan 8.230 nan 0.000 0.455 456 Y N -0.003 120.111 120.300 -0.309 0.000 2.558 456 Y HA 0.459 5.066 4.550 0.096 0.000 0.333 456 Y C -0.329 174.929 175.900 -1.069 0.000 1.125 456 Y CA 0.386 58.083 58.100 -0.672 0.000 1.039 456 Y CB 1.344 39.744 38.460 -0.101 0.000 1.331 456 Y HN 1.040 nan 8.280 nan 0.000 0.456 457 D N 2.131 121.239 120.400 -2.152 0.000 2.772 457 D HA -0.136 4.560 4.640 0.093 0.000 0.233 457 D C -0.949 174.681 176.300 -1.117 0.000 1.143 457 D CA 0.941 54.098 54.000 -1.404 0.000 0.700 457 D CB -0.990 39.623 40.800 -0.312 0.000 1.076 457 D HN 0.158 nan 8.370 nan 0.000 0.430 458 V N 1.545 120.650 119.914 -1.349 0.000 2.284 458 V HA 0.273 4.449 4.120 0.093 0.000 0.260 458 V C 0.458 176.346 176.094 -0.344 0.000 1.084 458 V CA -0.248 61.717 62.300 -0.558 0.000 0.894 458 V CB -0.244 31.377 31.823 -0.337 0.000 1.119 458 V HN -0.000 nan 8.190 nan 0.000 0.484 459 F N 2.282 122.230 119.950 -0.003 0.000 2.421 459 F HA 0.757 5.338 4.527 0.090 0.000 0.337 459 F C 0.917 176.714 175.800 -0.004 0.000 1.105 459 F CA -0.473 57.538 58.000 0.017 0.000 1.049 459 F CB 1.835 40.834 39.000 -0.002 0.000 1.139 459 F HN 0.466 nan 8.300 nan 0.000 0.479 460 G N 0.472 109.356 108.800 0.140 0.000 2.452 460 G HA2 0.513 4.529 3.960 0.093 0.000 0.324 460 G HA3 0.513 4.529 3.960 0.093 0.000 0.324 460 G C 0.311 175.156 174.900 -0.091 0.000 1.214 460 G CA -0.500 44.611 45.100 0.017 0.000 0.947 460 G HN 0.877 nan 8.290 nan 0.000 0.478 461 A N 1.300 124.006 122.820 -0.188 0.000 2.070 461 A HA -0.086 4.290 4.320 0.093 0.000 0.220 461 A C 2.185 179.218 177.584 -0.918 0.000 1.159 461 A CA 1.871 53.673 52.037 -0.391 0.000 0.656 461 A CB -0.131 18.683 19.000 -0.310 0.000 0.800 461 A HN 0.643 nan 8.150 nan 0.000 0.453 462 Q N -0.458 118.844 119.800 -0.829 0.000 2.398 462 Q HA 0.136 4.532 4.340 0.093 0.000 0.204 462 Q C 0.138 176.062 176.000 -0.125 0.000 0.932 462 Q CA 0.556 55.974 55.803 -0.641 0.000 0.916 462 Q CB -0.398 28.178 28.738 -0.270 0.000 1.024 462 Q HN 0.374 nan 8.270 nan 0.000 0.504 463 S N 3.951 119.603 115.700 -0.080 0.000 2.480 463 S HA 0.412 4.937 4.470 0.093 0.000 0.286 463 S C -2.410 172.222 174.600 0.052 0.000 1.180 463 S CA -1.221 57.000 58.200 0.034 0.000 1.075 463 S CB 1.453 64.676 63.200 0.039 0.000 0.996 463 S HN 0.164 nan 8.310 nan 0.000 0.487 464 P HA 0.208 nan 4.420 nan 0.000 0.269 464 P C -1.010 176.337 177.300 0.078 0.000 1.209 464 P CA -0.202 62.929 63.100 0.051 0.000 0.776 464 P CB 0.322 31.960 31.700 -0.104 0.000 0.876 465 F N 2.155 122.034 119.950 -0.120 0.000 2.579 465 F HA 0.667 5.248 4.527 0.090 0.000 0.325 465 F C -0.349 175.408 175.800 -0.071 0.000 1.162 465 F CA 0.048 57.998 58.000 -0.084 0.000 0.946 465 F CB 1.744 40.702 39.000 -0.071 0.000 1.211 465 F HN 0.594 nan 8.300 nan 0.000 0.447 466 G N 2.250 110.637 108.800 -0.690 0.000 2.548 466 G HA2 0.561 4.576 3.960 0.093 0.000 0.301 466 G HA3 0.561 4.576 3.960 0.093 0.000 0.301 466 G C -1.556 173.072 174.900 -0.454 0.000 1.349 466 G CA -0.259 44.517 45.100 -0.540 0.000 0.792 466 G HN 0.994 nan 8.290 nan 0.000 0.481 467 G N -1.747 106.918 108.800 -0.226 0.000 2.630 467 G HA2 0.622 4.638 3.960 0.093 0.000 0.296 467 G HA3 0.622 4.638 3.960 0.093 0.000 0.296 467 G C -1.631 173.358 174.900 0.149 0.000 1.285 467 G CA -0.608 44.439 45.100 -0.089 0.000 0.958 467 G HN 0.381 nan 8.290 nan 0.000 0.479 468 Y N 0.384 120.630 120.300 -0.091 0.000 2.488 468 Y HA 0.477 5.081 4.550 0.090 0.000 0.325 468 Y C 1.375 177.252 175.900 -0.038 0.000 1.204 468 Y CA -1.181 56.878 58.100 -0.069 0.000 1.229 468 Y CB 1.424 39.843 38.460 -0.068 0.000 1.274 468 Y HN 0.861 nan 8.280 nan 0.000 0.493 469 K N -0.459 119.994 120.400 0.090 0.000 1.867 469 K HA -0.321 4.055 4.320 0.093 0.000 0.140 469 K C 0.510 177.125 176.600 0.024 0.000 1.408 469 K CA 1.760 58.067 56.287 0.032 0.000 0.461 469 K CB -1.060 31.465 32.500 0.042 0.000 0.594 469 K HN 0.635 nan 8.250 nan 0.000 0.888 470 M N 1.237 120.840 119.600 0.005 0.000 2.654 470 M HA 0.024 4.560 4.480 0.093 0.000 0.217 470 M C 0.456 176.816 176.300 0.099 0.000 1.183 470 M CA 0.490 55.791 55.300 0.002 0.000 0.991 470 M CB 0.031 32.578 32.600 -0.089 0.000 1.749 470 M HN 0.331 nan 8.290 nan 0.000 0.475 471 S N -0.017 115.765 115.700 0.137 0.000 2.540 471 S HA 0.396 4.921 4.470 0.093 0.000 0.218 471 S C 0.682 175.333 174.600 0.086 0.000 0.977 471 S CA 0.304 58.611 58.200 0.178 0.000 0.918 471 S CB 0.454 63.748 63.200 0.156 0.000 0.806 471 S HN 0.771 nan 8.310 nan 0.000 0.496 472 G N 0.718 109.557 108.800 0.065 0.000 2.371 472 G HA2 0.156 4.172 3.960 0.093 0.000 0.663 472 G HA3 0.156 4.172 3.960 0.093 0.000 0.663 472 G C -0.874 174.030 174.900 0.008 0.000 1.311 472 G CA -0.369 44.753 45.100 0.038 0.000 0.985 472 G HN 0.236 nan 8.290 nan 0.000 0.566 473 S N -1.021 114.676 115.700 -0.005 0.000 2.570 473 S HA 0.956 5.482 4.470 0.093 0.000 0.286 473 S C 0.433 175.011 174.600 -0.037 0.000 1.099 473 S CA 1.229 59.413 58.200 -0.027 0.000 0.913 473 S CB 1.276 64.460 63.200 -0.027 0.000 1.085 473 S HN 2.856 nan 8.310 nan 0.000 0.480 474 G N 3.327 112.098 108.800 -0.048 0.000 2.787 474 G HA2 -0.048 3.968 3.960 0.093 0.000 0.685 474 G HA3 -0.048 3.968 3.960 0.093 0.000 0.685 474 G C -1.275 173.590 174.900 -0.058 0.000 1.437 474 G CA -0.740 44.330 45.100 -0.051 0.000 0.872 474 G HN 0.736 nan 8.290 nan 0.000 0.566 475 R N 0.397 120.873 120.500 -0.040 0.000 2.854 475 R HA 0.690 5.086 4.340 0.093 0.000 0.271 475 R C -0.067 176.237 176.300 0.007 0.000 0.994 475 R CA -0.735 55.338 56.100 -0.043 0.000 0.945 475 R CB 1.827 32.094 30.300 -0.055 0.000 1.194 475 R HN 0.769 nan 8.270 nan 0.000 0.476 476 E N 1.135 121.335 120.200 0.000 0.000 2.336 476 E HA 0.566 4.972 4.350 0.093 0.000 0.267 476 E C -0.498 176.081 176.600 -0.034 0.000 0.906 476 E CA -0.937 55.460 56.400 -0.004 0.000 0.781 476 E CB 2.109 31.777 29.700 -0.053 0.000 1.261 476 E HN 0.329 nan 8.360 nan 0.000 0.436 477 L N 0.101 121.324 121.223 -0.001 0.000 0.585 477 L HA -0.260 4.135 4.340 0.093 0.000 0.356 477 L C 0.587 177.557 176.870 0.167 0.000 0.995 477 L CA 0.861 55.729 54.840 0.046 0.000 1.223 477 L CB -1.188 40.722 42.059 -0.248 0.000 0.010 477 L HN 1.019 nan 8.230 nan 0.000 0.091 478 G N 0.488 109.368 108.800 0.133 0.000 2.752 478 G HA2 -0.288 3.728 3.960 0.093 0.000 0.234 478 G HA3 -0.288 3.728 3.960 0.093 0.000 0.234 478 G C 0.390 175.410 174.900 0.200 0.000 1.367 478 G CA 0.822 46.077 45.100 0.258 0.000 0.879 478 G HN 1.152 nan 8.290 nan 0.000 0.563 479 E N -1.005 119.222 120.200 0.046 0.000 2.204 479 E HA -0.120 4.286 4.350 0.093 0.000 0.195 479 E C 2.082 178.411 176.600 -0.452 0.000 0.990 479 E CA 1.818 57.916 56.400 -0.504 0.000 0.821 479 E CB -0.154 29.290 29.700 -0.427 0.000 0.750 479 E HN 0.627 nan 8.360 nan 0.000 0.477 480 Y N -0.561 119.683 120.300 -0.095 0.000 2.352 480 Y HA -0.017 4.608 4.550 0.126 0.000 0.292 480 Y C 2.400 178.254 175.900 -0.076 0.000 1.136 480 Y CA 0.914 58.973 58.100 -0.069 0.000 1.227 480 Y CB -0.517 37.931 38.460 -0.020 0.000 0.991 480 Y HN 0.136 nan 8.280 nan 0.000 0.545 481 G N -0.056 108.810 108.800 0.110 0.000 2.471 481 G HA2 -0.143 3.873 3.960 0.093 0.000 0.219 481 G HA3 -0.143 3.873 3.960 0.093 0.000 0.219 481 G C 1.476 176.407 174.900 0.053 0.000 1.125 481 G CA 0.665 45.834 45.100 0.116 0.000 0.775 481 G HN 0.385 nan 8.290 nan 0.000 0.548 482 L N -0.446 120.669 121.223 -0.180 0.000 2.270 482 L HA 0.014 4.410 4.340 0.093 0.000 0.210 482 L C 2.948 179.660 176.870 -0.263 0.000 1.104 482 L CA 0.462 55.084 54.840 -0.363 0.000 0.804 482 L CB -0.431 40.991 42.059 -1.063 0.000 0.937 482 L HN 0.250 nan 8.230 nan 0.000 0.450 483 Q N 0.644 120.333 119.800 -0.184 0.000 2.096 483 Q HA -0.193 4.203 4.340 0.093 0.000 0.204 483 Q C 2.442 178.404 176.000 -0.064 0.000 0.982 483 Q CA 1.728 57.505 55.803 -0.043 0.000 0.850 483 Q CB -0.310 28.431 28.738 0.006 0.000 0.901 483 Q HN 0.555 nan 8.270 nan 0.000 0.422 484 A N 0.000 122.753 122.820 -0.113 0.000 2.067 484 A HA -0.127 4.249 4.320 0.093 0.000 0.219 484 A C 0.882 178.212 177.584 -0.422 0.000 1.158 484 A CA 0.895 52.772 52.037 -0.267 0.000 0.661 484 A CB -0.326 18.463 19.000 -0.352 0.000 0.801 484 A HN 0.409 nan 8.150 nan 0.000 0.452 485 Y N -0.237 120.033 120.300 -0.051 0.000 2.683 485 Y HA 0.298 4.902 4.550 0.089 0.000 0.297 485 Y C 0.300 176.207 175.900 0.010 0.000 1.147 485 Y CA 0.056 58.141 58.100 -0.025 0.000 1.274 485 Y CB 0.404 38.842 38.460 -0.038 0.000 1.143 485 Y HN 0.048 nan 8.280 nan 0.000 0.527 486 T N 0.339 114.938 114.554 0.075 0.000 2.912 486 T HA 0.394 4.800 4.350 0.093 0.000 0.299 486 T C -0.752 173.955 174.700 0.013 0.000 1.052 486 T CA -0.973 61.182 62.100 0.091 0.000 0.996 486 T CB 1.690 70.653 68.868 0.159 0.000 1.070 486 T HN -0.036 nan 8.240 nan 0.000 0.465 487 K N 1.609 122.032 120.400 0.038 0.000 2.164 487 K HA 0.707 5.083 4.320 0.093 0.000 0.258 487 K C -0.960 175.643 176.600 0.005 0.000 0.951 487 K CA -0.781 55.514 56.287 0.013 0.000 0.844 487 K CB 1.972 34.500 32.500 0.047 0.000 1.099 487 K HN 0.246 nan 8.250 nan 0.000 0.435 488 V N 3.493 123.396 119.914 -0.019 0.000 2.350 488 V HA 0.218 4.394 4.120 0.093 0.000 0.276 488 V C -0.168 175.938 176.094 0.020 0.000 1.028 488 V CA -0.620 61.690 62.300 0.017 0.000 0.860 488 V CB 0.958 32.772 31.823 -0.015 0.000 0.990 488 V HN 0.633 nan 8.190 nan 0.000 0.453 489 K N 3.392 123.814 120.400 0.036 0.000 2.206 489 K HA 0.556 4.932 4.320 0.093 0.000 0.264 489 K C -0.588 175.966 176.600 -0.076 0.000 0.967 489 K CA -0.331 55.946 56.287 -0.017 0.000 0.844 489 K CB 1.375 33.871 32.500 -0.005 0.000 1.099 489 K HN 0.658 nan 8.250 nan 0.000 0.441 490 T N 3.115 117.591 114.554 -0.129 0.000 2.758 490 T HA 0.294 4.700 4.350 0.093 0.000 0.285 490 T C -0.868 173.633 174.700 -0.331 0.000 0.981 490 T CA -0.596 61.372 62.100 -0.221 0.000 0.965 490 T CB 1.270 70.038 68.868 -0.167 0.000 0.927 490 T HN 0.302 nan 8.240 nan 0.000 0.448 491 V N 4.110 123.656 119.914 -0.613 0.000 2.357 491 V HA 0.428 4.604 4.120 0.093 0.000 0.284 491 V C 0.179 175.880 176.094 -0.654 0.000 1.018 491 V CA -0.619 61.272 62.300 -0.681 0.000 0.841 491 V CB 1.632 32.856 31.823 -0.999 0.000 0.991 491 V HN 0.943 nan 8.190 nan 0.000 0.437 492 T N 4.956 119.302 114.554 -0.346 0.000 2.809 492 T HA 0.487 4.893 4.350 0.093 0.000 0.296 492 T C -0.256 174.406 174.700 -0.064 0.000 1.015 492 T CA -0.269 61.697 62.100 -0.222 0.000 0.954 492 T CB 1.228 69.958 68.868 -0.230 0.000 0.950 492 T HN 0.329 nan 8.240 nan 0.000 0.450 493 V N 4.238 124.192 119.914 0.066 0.000 2.427 493 V HA 0.423 4.599 4.120 0.093 0.000 0.286 493 V C 0.542 176.848 176.094 0.354 0.000 1.034 493 V CA -1.046 61.378 62.300 0.208 0.000 0.893 493 V CB 1.569 33.568 31.823 0.293 0.000 0.982 493 V HN 0.687 nan 8.190 nan 0.000 0.452 494 K N 3.835 124.427 120.400 0.320 0.000 2.322 494 K HA 0.494 4.870 4.320 0.093 0.000 0.283 494 K C -0.579 176.093 176.600 0.120 0.000 1.042 494 K CA -0.258 56.198 56.287 0.281 0.000 0.958 494 K CB 1.154 33.786 32.500 0.219 0.000 0.984 494 K HN 0.664 nan 8.250 nan 0.000 0.473 495 V N 2.043 121.962 119.914 0.009 0.000 2.919 495 V HA 0.444 4.620 4.120 0.093 0.000 0.316 495 V C -1.676 174.376 176.094 -0.070 0.000 1.077 495 V CA -1.749 60.549 62.300 -0.003 0.000 0.977 495 V CB 1.208 33.045 31.823 0.022 0.000 1.039 495 V HN 0.731 nan 8.190 nan 0.000 0.441 496 P HA -0.128 nan 4.420 nan 0.000 0.214 496 P C 0.171 177.426 177.300 -0.075 0.000 1.163 496 P CA 1.362 64.429 63.100 -0.055 0.000 0.883 496 P CB 0.345 32.024 31.700 -0.036 0.000 0.788 497 Q N -0.818 118.939 119.800 -0.071 0.000 2.371 497 Q HA 0.216 4.612 4.340 0.093 0.000 0.244 497 Q C -0.899 175.063 176.000 -0.063 0.000 0.882 497 Q CA -0.648 55.111 55.803 -0.072 0.000 0.866 497 Q CB 1.645 30.351 28.738 -0.054 0.000 1.399 497 Q HN -0.128 nan 8.270 nan 0.000 0.432 498 K N 3.716 124.075 120.400 -0.069 0.000 2.368 498 K HA 0.240 4.616 4.320 0.093 0.000 0.282 498 K C -0.967 175.617 176.600 -0.028 0.000 1.035 498 K CA 0.247 56.510 56.287 -0.040 0.000 0.973 498 K CB 0.597 33.081 32.500 -0.027 0.000 0.957 498 K HN 0.639 nan 8.250 nan 0.000 0.474 499 N N 1.498 120.185 118.700 -0.023 0.000 2.229 499 N HA 0.095 4.891 4.740 0.093 0.000 0.298 499 N C -0.787 174.717 175.510 -0.011 0.000 1.114 499 N CA -0.565 52.473 53.050 -0.019 0.000 0.776 499 N CB 1.957 40.428 38.487 -0.026 0.000 1.501 499 N HN 0.736 nan 8.380 nan 0.000 0.474 500 S N 0.000 115.697 115.700 -0.006 0.000 2.498 500 S HA 0.000 4.526 4.470 0.093 0.000 0.327 500 S CA 0.000 58.200 58.200 -0.000 0.000 1.107 500 S CB 0.000 63.201 63.200 0.002 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517