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 1by5_1_A DATA FIRST_RESID 18 DATA SEQUENCE QESAWGPAAT IAARQSATGT KTDTPIQKVP QSISVVTAEE MALHQPKSVK DATA SEQUENCE EALSYTPGVS VGTRGASNTY DHLIIRGFAA EGQSQNNYLN GLKLQGNFYN DATA SEQUENCE DAVIDPYMLE RAEIMRGPVS VLYGKSSPGG LLNMVSKRPT TEPLKEVQFK DATA SEQUENCE AGTDSLFQTG FDFSDSLDDD GVYSYRLTGL ARSANAQQKG SEEQRYAIAP DATA SEQUENCE AFTWRPDDKT NFTFLSYFQN EPETGYYGWL PKEGTVEPLP NGKRLPTDFN DATA SEQUENCE EGAKNNTYSR NEKMVGYSFD HEFNDTFTVR QNLRFAENKT SQNSVYGYGV DATA SEQUENCE cSDPANAYSK QcAALAPADK GHYLARKYVV DDEKLQNFSV DTQLQSKFAT DATA SEQUENCE GDIDHTLLTG VDFMRMRNDI NAWFGYDDSV PLLNLYNPVN TDFDFNAKDP DATA SEQUENCE ANSGPYRILN KQKQTGVYVQ DQAQWDKVLV TLGGRYDWAD QESLNRVAGT DATA SEQUENCE TDKRDDKQFT WRGGVNYLFD NGVTPYFSYS ESFEPSSQVG KDGNIFAPSK DATA SEQUENCE GKQYEVGVKY VPEDRPIVVT GAVYNLTKTN NLMADPEGSF FSVEGGEIRA DATA SEQUENCE RGVEIEAKRP LSASVNVVGS YTYTDAEYTT DTTYKGNTPA QVPKHMASLW DATA SEQUENCE ADYTFFDGPL SGLTLGTGGR YTGSSYGDPA NSFKVGSYTV VDALVRYDLA DATA SEQUENCE RVGMAGSNVA LHVNNLFDRE YVAScFNTYG cFWGAERQVV ATATFRF 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 18 Q HA 0.000 nan 4.340 nan 0.000 0.214 18 Q C 0.000 175.982 176.000 -0.029 0.000 1.003 18 Q CA 0.000 55.786 55.803 -0.029 0.000 1.022 18 Q CB 0.000 28.720 28.738 -0.030 0.000 1.108 19 E N 1.146 121.321 120.200 -0.042 0.000 2.414 19 E HA 0.268 4.618 4.350 -0.000 0.000 0.263 19 E C -0.880 175.687 176.600 -0.055 0.000 1.000 19 E CA 0.290 56.661 56.400 -0.049 0.000 0.914 19 E CB 0.771 30.433 29.700 -0.065 0.000 0.948 19 E HN 0.165 nan 8.360 nan 0.000 0.444 20 S N 2.588 118.263 115.700 -0.041 0.000 2.549 20 S HA 0.471 4.941 4.470 -0.000 0.000 0.297 20 S C 0.638 175.158 174.600 -0.133 0.000 1.115 20 S CA -0.018 58.160 58.200 -0.036 0.000 1.059 20 S CB 1.515 64.761 63.200 0.077 0.000 1.046 20 S HN 0.620 nan 8.310 nan 0.000 0.506 21 A N 3.966 126.585 122.820 -0.334 0.000 2.172 21 A HA 0.060 4.379 4.320 -0.000 0.000 0.216 21 A C 1.097 178.347 177.584 -0.557 0.000 1.154 21 A CA 0.634 52.332 52.037 -0.566 0.000 0.701 21 A CB -0.312 18.123 19.000 -0.941 0.000 0.789 21 A HN 0.911 nan 8.150 nan 0.000 0.465 22 W N -0.873 120.399 121.300 -0.046 0.000 3.005 22 W HA 0.381 5.041 4.660 -0.000 0.000 0.374 22 W C 0.661 177.151 176.519 -0.049 0.000 1.076 22 W CA 0.051 57.368 57.345 -0.046 0.000 1.794 22 W CB -0.220 29.216 29.460 -0.040 0.000 1.113 22 W HN 0.339 nan 8.180 nan 0.000 0.584 23 G N 1.186 110.044 108.800 0.097 0.000 3.175 23 G HA2 0.593 4.553 3.960 -0.000 0.000 0.255 23 G HA3 0.593 4.553 3.960 -0.000 0.000 0.255 23 G C -2.750 172.145 174.900 -0.008 0.000 1.352 23 G CA -1.085 44.043 45.100 0.047 0.000 1.037 23 G HN -0.409 nan 8.290 nan 0.000 0.556 24 P HA 0.415 nan 4.420 nan 0.000 0.275 24 P C -0.699 176.575 177.300 -0.044 0.000 1.228 24 P CA 0.054 63.132 63.100 -0.037 0.000 0.786 24 P CB 1.584 33.262 31.700 -0.037 0.000 0.927 25 A N 2.355 125.143 122.820 -0.052 0.000 2.290 25 A HA 0.527 4.846 4.320 -0.000 0.000 0.310 25 A C 1.516 179.071 177.584 -0.048 0.000 1.202 25 A CA -0.164 51.840 52.037 -0.055 0.000 0.837 25 A CB 0.539 19.501 19.000 -0.063 0.000 1.139 25 A HN 0.545 nan 8.150 nan 0.000 0.509 26 A N 2.179 124.971 122.820 -0.045 0.000 1.986 26 A HA 0.164 4.484 4.320 -0.000 0.000 0.220 26 A C 1.449 179.011 177.584 -0.036 0.000 1.171 26 A CA 2.386 54.399 52.037 -0.039 0.000 0.640 26 A CB -0.674 18.302 19.000 -0.039 0.000 0.811 26 A HN 1.720 nan 8.150 nan 0.000 0.451 27 T N -6.145 108.385 114.554 -0.039 0.000 2.696 27 T HA 0.504 4.854 4.350 -0.000 0.000 0.291 27 T C 0.614 175.292 174.700 -0.036 0.000 1.095 27 T CA -0.104 61.977 62.100 -0.033 0.000 1.026 27 T CB 0.319 69.171 68.868 -0.027 0.000 1.390 27 T HN -0.084 nan 8.240 nan 0.000 0.513 28 I N 1.205 121.758 120.570 -0.028 0.000 2.530 28 I HA 0.187 4.357 4.170 -0.000 0.000 0.257 28 I C 1.447 177.545 176.117 -0.031 0.000 1.179 28 I CA 1.108 62.390 61.300 -0.031 0.000 1.440 28 I CB -0.665 37.327 38.000 -0.013 0.000 1.087 28 I HN 0.826 nan 8.210 nan 0.000 0.440 29 A N 0.532 123.333 122.820 -0.032 0.000 2.256 29 A HA 0.787 5.107 4.320 -0.000 0.000 0.317 29 A C 0.184 177.735 177.584 -0.055 0.000 1.318 29 A CA -0.342 51.672 52.037 -0.039 0.000 0.894 29 A CB 0.011 18.988 19.000 -0.038 0.000 1.165 29 A HN 0.197 nan 8.150 nan 0.000 0.525 30 A N 2.723 125.506 122.820 -0.062 0.000 2.340 30 A HA 0.620 4.939 4.320 -0.000 0.000 0.268 30 A C 1.085 178.618 177.584 -0.086 0.000 1.100 30 A CA -0.528 51.463 52.037 -0.077 0.000 0.803 30 A CB 0.351 19.299 19.000 -0.086 0.000 1.043 30 A HN 0.940 nan 8.150 nan 0.000 0.488 31 R N 0.261 120.703 120.500 -0.096 0.000 2.453 31 R HA 0.190 4.529 4.340 -0.000 0.000 0.233 31 R C -0.548 175.680 176.300 -0.120 0.000 0.895 31 R CA -0.176 55.863 56.100 -0.102 0.000 1.028 31 R CB 0.296 30.540 30.300 -0.094 0.000 1.255 31 R HN 0.649 nan 8.270 nan 0.000 0.571 32 Q N 1.387 121.104 119.800 -0.138 0.000 2.306 32 Q HA 0.519 4.859 4.340 -0.000 0.000 0.265 32 Q C -1.026 174.842 176.000 -0.220 0.000 1.022 32 Q CA -0.398 55.297 55.803 -0.180 0.000 0.853 32 Q CB 2.436 31.060 28.738 -0.190 0.000 1.327 32 Q HN 0.072 nan 8.270 nan 0.000 0.449 33 S N -0.554 114.986 115.700 -0.267 0.000 2.543 33 S HA 0.644 5.114 4.470 -0.000 0.000 0.274 33 S C -1.239 173.157 174.600 -0.340 0.000 1.149 33 S CA 0.190 58.214 58.200 -0.293 0.000 0.866 33 S CB 1.302 64.378 63.200 -0.206 0.000 1.111 33 S HN 0.589 nan 8.310 nan 0.000 0.457 34 A N 2.530 125.118 122.820 -0.386 0.000 2.508 34 A HA 0.332 4.651 4.320 -0.000 0.000 0.250 34 A C 1.362 178.876 177.584 -0.116 0.000 1.208 34 A CA 0.598 52.449 52.037 -0.311 0.000 0.960 34 A CB -0.354 18.331 19.000 -0.524 0.000 1.099 34 A HN 0.733 nan 8.150 nan 0.000 0.542 35 T N -0.211 114.276 114.554 -0.112 0.000 2.777 35 T HA -0.041 4.309 4.350 -0.000 0.000 0.266 35 T C 1.951 176.655 174.700 0.007 0.000 1.040 35 T CA 1.694 63.777 62.100 -0.030 0.000 1.141 35 T CB -0.219 68.580 68.868 -0.116 0.000 0.868 35 T HN 0.507 nan 8.240 nan 0.000 0.444 36 G N 0.967 109.723 108.800 -0.074 0.000 2.511 36 G HA2 -0.083 3.876 3.960 -0.000 0.000 0.217 36 G HA3 -0.083 3.876 3.960 -0.000 0.000 0.217 36 G C 1.579 176.426 174.900 -0.087 0.000 1.133 36 G CA 1.442 46.493 45.100 -0.083 0.000 0.792 36 G HN 0.619 nan 8.290 nan 0.000 0.539 37 T N -4.313 110.189 114.554 -0.087 0.000 2.986 37 T HA 0.264 4.614 4.350 -0.000 0.000 0.264 37 T C 1.032 175.701 174.700 -0.051 0.000 0.964 37 T CA 0.483 62.537 62.100 -0.078 0.000 0.895 37 T CB 0.200 69.026 68.868 -0.070 0.000 1.163 37 T HN 0.196 nan 8.240 nan 0.000 0.517 38 K N 1.632 122.014 120.400 -0.030 0.000 3.281 38 K HA -0.135 4.185 4.320 -0.000 0.000 0.295 38 K C -0.474 176.219 176.600 0.156 0.000 1.233 38 K CA 1.119 57.441 56.287 0.059 0.000 0.866 38 K CB -2.431 30.065 32.500 -0.006 0.000 1.265 38 K HN 0.805 nan 8.250 nan 0.000 0.482 39 T N -2.745 111.854 114.554 0.074 0.000 2.909 39 T HA 0.240 4.590 4.350 -0.000 0.000 0.299 39 T C -0.751 173.893 174.700 -0.092 0.000 1.073 39 T CA -1.065 61.091 62.100 0.094 0.000 0.999 39 T CB 2.274 71.177 68.868 0.057 0.000 1.098 39 T HN 0.022 nan 8.240 nan 0.000 0.477 40 D N 2.014 122.330 120.400 -0.140 0.000 2.385 40 D HA 0.232 4.872 4.640 -0.000 0.000 0.260 40 D C -0.451 175.732 176.300 -0.195 0.000 1.326 40 D CA 0.345 54.134 54.000 -0.351 0.000 1.023 40 D CB -0.141 40.490 40.800 -0.283 0.000 1.083 40 D HN 0.539 nan 8.370 nan 0.000 0.517 41 T N 4.606 119.037 114.554 -0.204 0.000 2.829 41 T HA 0.436 4.785 4.350 -0.000 0.000 0.280 41 T C -2.466 172.141 174.700 -0.156 0.000 0.999 41 T CA -1.526 60.484 62.100 -0.149 0.000 0.983 41 T CB 1.968 70.760 68.868 -0.128 0.000 0.968 41 T HN 0.167 nan 8.240 nan 0.000 0.446 42 P HA 0.243 nan 4.420 nan 0.000 0.268 42 P C 0.884 178.108 177.300 -0.128 0.000 1.205 42 P CA -0.227 62.799 63.100 -0.123 0.000 0.771 42 P CB 0.407 32.046 31.700 -0.102 0.000 0.858 43 I N 1.846 122.340 120.570 -0.127 0.000 2.315 43 I HA -0.355 3.815 4.170 -0.000 0.000 0.251 43 I C 1.724 177.762 176.117 -0.132 0.000 1.125 43 I CA 1.710 62.932 61.300 -0.130 0.000 1.392 43 I CB -0.594 37.339 38.000 -0.112 0.000 1.065 43 I HN 0.457 nan 8.210 nan 0.000 0.424 44 Q N 1.085 120.824 119.800 -0.101 0.000 2.291 44 Q HA -0.122 4.218 4.340 -0.000 0.000 0.205 44 Q C 1.453 177.387 176.000 -0.110 0.000 0.970 44 Q CA 1.014 56.770 55.803 -0.079 0.000 0.876 44 Q CB -0.244 28.474 28.738 -0.033 0.000 0.935 44 Q HN 0.462 nan 8.270 nan 0.000 0.455 45 K N 0.280 120.607 120.400 -0.122 0.000 2.437 45 K HA 0.193 4.513 4.320 -0.000 0.000 0.198 45 K C -0.684 175.823 176.600 -0.155 0.000 1.024 45 K CA -0.079 56.135 56.287 -0.122 0.000 1.148 45 K CB 0.828 33.266 32.500 -0.103 0.000 0.860 45 K HN -0.046 nan 8.250 nan 0.000 0.515 46 V N 3.668 123.455 119.914 -0.211 0.000 2.370 46 V HA 0.143 4.263 4.120 -0.000 0.000 0.283 46 V C -1.977 173.886 176.094 -0.385 0.000 1.023 46 V CA -1.731 60.426 62.300 -0.238 0.000 0.857 46 V CB 1.384 33.079 31.823 -0.214 0.000 0.985 46 V HN 0.074 nan 8.190 nan 0.000 0.443 47 P HA 0.200 nan 4.420 nan 0.000 0.226 47 P C -0.218 176.953 177.300 -0.215 0.000 1.758 47 P CA 0.215 63.124 63.100 -0.318 0.000 0.896 47 P CB 0.345 31.967 31.700 -0.130 0.000 1.784 48 Q N -0.964 118.647 119.800 -0.315 0.000 2.633 48 Q HA 0.305 4.645 4.340 -0.000 0.000 0.289 48 Q C -0.925 174.998 176.000 -0.128 0.000 0.940 48 Q CA -0.676 55.054 55.803 -0.121 0.000 0.785 48 Q CB 1.897 30.558 28.738 -0.128 0.000 1.467 48 Q HN -0.115 nan 8.270 nan 0.000 0.401 49 S N 1.434 117.114 115.700 -0.033 0.000 2.474 49 S HA 0.490 4.960 4.470 -0.000 0.000 0.276 49 S C -0.459 174.093 174.600 -0.080 0.000 1.227 49 S CA -0.089 58.097 58.200 -0.022 0.000 1.050 49 S CB -0.038 63.170 63.200 0.013 0.000 0.939 49 S HN 0.277 nan 8.310 nan 0.000 0.490 50 I N 2.510 123.031 120.570 -0.082 0.000 2.499 50 I HA 0.284 4.454 4.170 -0.000 0.000 0.288 50 I C -0.306 175.766 176.117 -0.074 0.000 1.048 50 I CA -0.285 60.956 61.300 -0.098 0.000 1.062 50 I CB 2.145 40.072 38.000 -0.122 0.000 1.238 50 I HN 0.441 nan 8.210 nan 0.000 0.426 51 S N 4.679 120.335 115.700 -0.073 0.000 2.501 51 S HA 0.668 5.138 4.470 -0.000 0.000 0.301 51 S C -0.550 174.010 174.600 -0.066 0.000 1.096 51 S CA -0.595 57.574 58.200 -0.052 0.000 1.063 51 S CB 2.248 65.427 63.200 -0.035 0.000 1.042 51 S HN 0.289 nan 8.310 nan 0.000 0.494 52 V N 3.453 123.332 119.914 -0.058 0.000 2.443 52 V HA 0.383 4.503 4.120 -0.000 0.000 0.293 52 V C -0.619 175.443 176.094 -0.053 0.000 1.021 52 V CA -0.674 61.585 62.300 -0.068 0.000 0.848 52 V CB 1.713 33.487 31.823 -0.082 0.000 0.998 52 V HN 0.679 nan 8.190 nan 0.000 0.424 53 V N 4.626 124.509 119.914 -0.051 0.000 2.383 53 V HA 0.427 4.546 4.120 -0.000 0.000 0.275 53 V C 0.743 176.805 176.094 -0.053 0.000 1.036 53 V CA -0.320 61.954 62.300 -0.043 0.000 0.889 53 V CB 1.734 33.538 31.823 -0.031 0.000 0.985 53 V HN 1.010 nan 8.190 nan 0.000 0.459 54 T N 2.306 116.827 114.554 -0.056 0.000 2.899 54 T HA 0.544 4.893 4.350 -0.000 0.000 0.284 54 T C 1.376 176.040 174.700 -0.061 0.000 1.004 54 T CA 0.042 62.106 62.100 -0.060 0.000 1.043 54 T CB 1.758 70.590 68.868 -0.060 0.000 1.013 54 T HN 0.711 nan 8.240 nan 0.000 0.518 55 A N 0.499 123.282 122.820 -0.061 0.000 1.940 55 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 55 A C 2.269 179.817 177.584 -0.060 0.000 1.176 55 A CA 1.989 53.990 52.037 -0.060 0.000 0.631 55 A CB -1.154 17.804 19.000 -0.070 0.000 0.814 55 A HN 1.048 nan 8.150 nan 0.000 0.446 56 E N -0.457 119.705 120.200 -0.063 0.000 2.058 56 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 56 E C 2.062 178.602 176.600 -0.100 0.000 0.997 56 E CA 1.474 57.834 56.400 -0.068 0.000 0.801 56 E CB -0.160 29.505 29.700 -0.058 0.000 0.746 56 E HN 0.779 nan 8.360 nan 0.000 0.450 57 E N -0.112 120.022 120.200 -0.109 0.000 2.072 57 E HA -0.198 4.151 4.350 -0.000 0.000 0.191 57 E C 2.184 178.672 176.600 -0.187 0.000 0.985 57 E CA 1.088 57.386 56.400 -0.171 0.000 0.801 57 E CB -0.031 29.593 29.700 -0.127 0.000 0.750 57 E HN 0.322 nan 8.360 nan 0.000 0.452 58 M N 0.278 119.822 119.600 -0.093 0.000 2.108 58 M HA -0.167 4.313 4.480 -0.000 0.000 0.261 58 M C 2.439 178.684 176.300 -0.091 0.000 1.066 58 M CA 1.461 56.730 55.300 -0.052 0.000 1.107 58 M CB -0.256 32.329 32.600 -0.026 0.000 1.356 58 M HN 0.197 nan 8.290 nan 0.000 0.406 59 A N 0.033 122.799 122.820 -0.089 0.000 2.076 59 A HA -0.139 4.180 4.320 -0.000 0.000 0.220 59 A C 1.977 179.509 177.584 -0.086 0.000 1.160 59 A CA 1.258 53.255 52.037 -0.066 0.000 0.653 59 A CB -0.592 18.387 19.000 -0.035 0.000 0.801 59 A HN 0.356 nan 8.150 nan 0.000 0.455 60 L N -0.973 120.098 121.223 -0.253 0.000 2.056 60 L HA -0.097 4.243 4.340 -0.000 0.000 0.207 60 L C 2.100 178.719 176.870 -0.419 0.000 1.078 60 L CA 1.735 56.313 54.840 -0.436 0.000 0.749 60 L CB -0.528 40.984 42.059 -0.912 0.000 0.901 60 L HN 0.545 nan 8.230 nan 0.000 0.433 61 H N -1.719 117.274 119.070 -0.129 0.000 2.648 61 H HA 0.226 4.781 4.556 -0.000 0.000 0.265 61 H C 0.073 175.320 175.328 -0.136 0.000 0.961 61 H CA -0.115 55.880 56.048 -0.090 0.000 1.185 61 H CB 0.364 30.038 29.762 -0.146 0.000 1.449 61 H HN 0.168 nan 8.280 nan 0.000 0.523 62 Q N 1.040 120.751 119.800 -0.149 0.000 2.448 62 Q HA -0.116 4.224 4.340 -0.000 0.000 0.356 62 Q C -2.328 173.603 176.000 -0.113 0.000 1.430 62 Q CA 0.286 55.943 55.803 -0.243 0.000 1.011 62 Q CB -1.342 27.036 28.738 -0.600 0.000 1.203 62 Q HN 0.509 nan 8.270 nan 0.000 0.351 63 P HA 0.144 nan 4.420 nan 0.000 0.282 63 P C 0.305 177.586 177.300 -0.031 0.000 1.249 63 P CA -0.296 62.793 63.100 -0.019 0.000 0.806 63 P CB 0.898 32.601 31.700 0.005 0.000 0.984 64 K N 0.165 120.547 120.400 -0.029 0.000 2.361 64 K HA 0.098 4.418 4.320 -0.000 0.000 0.196 64 K C 0.939 177.523 176.600 -0.026 0.000 1.039 64 K CA 0.560 56.826 56.287 -0.035 0.000 1.001 64 K CB 0.214 32.690 32.500 -0.039 0.000 0.795 64 K HN 0.615 nan 8.250 nan 0.000 0.495 65 S N -1.680 114.009 115.700 -0.020 0.000 2.618 65 S HA 0.230 4.699 4.470 -0.000 0.000 0.277 65 S C 0.833 175.423 174.600 -0.016 0.000 1.138 65 S CA -0.992 57.196 58.200 -0.020 0.000 0.844 65 S CB 1.792 64.978 63.200 -0.024 0.000 1.127 65 S HN -0.195 nan 8.310 nan 0.000 0.474 66 V N 1.653 121.554 119.914 -0.022 0.000 2.626 66 V HA -0.082 4.038 4.120 -0.000 0.000 0.252 66 V C 2.648 178.729 176.094 -0.021 0.000 1.067 66 V CA 2.152 64.436 62.300 -0.026 0.000 1.081 66 V CB -0.934 30.865 31.823 -0.041 0.000 0.686 66 V HN 1.009 nan 8.190 nan 0.000 0.468 67 K N 0.422 120.812 120.400 -0.017 0.000 2.057 67 K HA -0.224 4.096 4.320 -0.000 0.000 0.207 67 K C 2.095 178.691 176.600 -0.006 0.000 1.049 67 K CA 1.870 58.150 56.287 -0.011 0.000 0.931 67 K CB -0.106 32.395 32.500 0.002 0.000 0.714 67 K HN 0.550 nan 8.250 nan 0.000 0.440 68 E N -0.268 119.931 120.200 -0.002 0.000 2.150 68 E HA -0.148 4.201 4.350 -0.000 0.000 0.193 68 E C 1.856 178.457 176.600 0.001 0.000 0.985 68 E CA 0.836 57.236 56.400 0.001 0.000 0.814 68 E CB -0.054 29.648 29.700 0.003 0.000 0.752 68 E HN 0.435 nan 8.360 nan 0.000 0.466 69 A N 0.923 123.745 122.820 0.004 0.000 2.067 69 A HA -0.096 4.223 4.320 -0.000 0.000 0.219 69 A C 1.961 179.559 177.584 0.023 0.000 1.158 69 A CA 0.802 52.848 52.037 0.015 0.000 0.661 69 A CB -0.334 18.668 19.000 0.004 0.000 0.801 69 A HN 0.145 nan 8.150 nan 0.000 0.452 70 L N -0.482 120.745 121.223 0.007 0.000 2.591 70 L HA 0.025 4.365 4.340 -0.000 0.000 0.228 70 L C 2.074 178.950 176.870 0.010 0.000 1.133 70 L CA 0.224 55.069 54.840 0.007 0.000 0.880 70 L CB -0.191 41.855 42.059 -0.021 0.000 1.033 70 L HN 0.216 nan 8.230 nan 0.000 0.450 71 S N -0.223 115.475 115.700 -0.003 0.000 2.423 71 S HA -0.211 4.259 4.470 -0.000 0.000 0.238 71 S C 1.338 175.817 174.600 -0.202 0.000 1.028 71 S CA 1.675 59.811 58.200 -0.106 0.000 1.000 71 S CB -0.285 62.811 63.200 -0.174 0.000 0.797 71 S HN 0.482 nan 8.310 nan 0.000 0.487 72 Y N 0.746 121.006 120.300 -0.066 0.000 2.458 72 Y HA 0.252 4.802 4.550 -0.000 0.000 0.256 72 Y C 0.857 176.753 175.900 -0.006 0.000 1.159 72 Y CA -0.265 57.821 58.100 -0.024 0.000 1.261 72 Y CB 0.019 38.467 38.460 -0.020 0.000 1.119 72 Y HN 0.001 nan 8.280 nan 0.000 0.524 73 T N 4.945 119.555 114.554 0.094 0.000 2.832 73 T HA 0.167 4.517 4.350 -0.000 0.000 0.296 73 T C -2.416 172.292 174.700 0.012 0.000 0.968 73 T CA -1.391 60.737 62.100 0.048 0.000 1.107 73 T CB 0.928 69.803 68.868 0.012 0.000 0.916 73 T HN -0.036 nan 8.240 nan 0.000 0.517 74 P HA 0.180 nan 4.420 nan 0.000 0.271 74 P C 0.872 178.154 177.300 -0.030 0.000 1.218 74 P CA 0.090 63.189 63.100 -0.001 0.000 0.780 74 P CB 0.502 32.225 31.700 0.038 0.000 0.901 75 G N 0.701 109.470 108.800 -0.051 0.000 2.166 75 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.260 75 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.260 75 G C -0.136 174.714 174.900 -0.082 0.000 0.986 75 G CA 0.161 45.222 45.100 -0.064 0.000 0.683 75 G HN 0.562 nan 8.290 nan 0.000 0.527 76 V N 0.151 120.019 119.914 -0.078 0.000 2.531 76 V HA 0.718 4.838 4.120 -0.000 0.000 0.301 76 V C 0.237 176.285 176.094 -0.077 0.000 1.034 76 V CA -0.157 62.095 62.300 -0.080 0.000 0.865 76 V CB 1.927 33.708 31.823 -0.070 0.000 0.995 76 V HN 0.499 nan 8.190 nan 0.000 0.424 77 S N 3.202 118.856 115.700 -0.075 0.000 2.429 77 S HA 0.410 4.880 4.470 -0.000 0.000 0.302 77 S C 0.407 174.990 174.600 -0.027 0.000 1.115 77 S CA -0.362 57.805 58.200 -0.055 0.000 1.095 77 S CB 1.286 64.455 63.200 -0.053 0.000 0.987 77 S HN 1.033 nan 8.310 nan 0.000 0.474 78 V N 3.122 123.032 119.914 -0.006 0.000 3.177 78 V HA 0.556 4.676 4.120 -0.000 0.000 0.342 78 V C 0.907 177.037 176.094 0.059 0.000 1.379 78 V CA 0.433 62.742 62.300 0.016 0.000 1.191 78 V CB 0.018 31.843 31.823 0.004 0.000 1.167 78 V HN 0.807 nan 8.190 nan 0.000 0.471 79 G N 0.539 109.391 108.800 0.086 0.000 3.899 79 G HA2 0.144 4.104 3.960 -0.000 0.000 0.293 79 G HA3 0.144 4.104 3.960 -0.000 0.000 0.293 79 G C 1.000 175.969 174.900 0.116 0.000 1.054 79 G CA 0.678 45.857 45.100 0.133 0.000 0.846 79 G HN 0.571 nan 8.290 nan 0.000 0.525 80 T N -2.703 111.898 114.554 0.079 0.000 3.155 80 T HA 0.109 4.459 4.350 -0.000 0.000 0.264 80 T C 1.672 176.233 174.700 -0.232 0.000 1.160 80 T CA 0.432 62.560 62.100 0.048 0.000 1.075 80 T CB 0.217 69.177 68.868 0.153 0.000 0.921 80 T HN 0.112 nan 8.240 nan 0.000 0.533 81 R N -0.191 120.138 120.500 -0.284 0.000 2.527 81 R HA 0.356 4.696 4.340 -0.000 0.000 0.402 81 R C 1.433 177.587 176.300 -0.243 0.000 0.933 81 R CA 0.401 56.087 56.100 -0.689 0.000 1.171 81 R CB 0.426 30.519 30.300 -0.345 0.000 1.612 81 R HN 0.526 nan 8.270 nan 0.000 0.546 82 G N 1.249 110.057 108.800 0.012 0.000 2.596 82 G HA2 -0.451 3.509 3.960 -0.000 0.000 0.295 82 G HA3 -0.451 3.509 3.960 -0.000 0.000 0.295 82 G C 0.909 175.863 174.900 0.090 0.000 1.240 82 G CA 0.856 46.030 45.100 0.123 0.000 0.985 82 G HN 0.330 nan 8.290 nan 0.000 0.555 83 A N -0.316 122.568 122.820 0.107 0.000 2.070 83 A HA 0.375 4.695 4.320 -0.000 0.000 0.220 83 A C 1.965 179.606 177.584 0.094 0.000 1.159 83 A CA 2.332 54.419 52.037 0.084 0.000 0.656 83 A CB -0.626 18.416 19.000 0.069 0.000 0.800 83 A HN 2.229 nan 8.150 nan 0.000 0.453 84 S N 0.045 115.825 115.700 0.133 0.000 2.533 84 S HA 0.154 4.624 4.470 -0.000 0.000 0.282 84 S C 0.247 174.872 174.600 0.041 0.000 1.304 84 S CA -0.195 58.079 58.200 0.123 0.000 1.063 84 S CB -0.097 63.217 63.200 0.190 0.000 0.881 84 S HN 0.486 nan 8.310 nan 0.000 0.493 85 N N 2.881 121.573 118.700 -0.014 0.000 2.338 85 N HA 0.168 4.908 4.740 -0.000 0.000 0.251 85 N C 0.915 176.324 175.510 -0.168 0.000 1.199 85 N CA -0.208 52.807 53.050 -0.058 0.000 0.879 85 N CB 0.672 39.128 38.487 -0.051 0.000 1.159 85 N HN 0.556 nan 8.380 nan 0.000 0.514 86 T N -0.156 114.229 114.554 -0.281 0.000 2.684 86 T HA -0.141 4.208 4.350 -0.000 0.000 0.267 86 T C -0.030 174.207 174.700 -0.772 0.000 1.036 86 T CA 1.658 63.351 62.100 -0.677 0.000 1.148 86 T CB -0.159 68.024 68.868 -1.142 0.000 0.863 86 T HN 0.202 nan 8.240 nan 0.000 0.436 87 Y N 0.028 120.214 120.300 -0.190 0.000 2.536 87 Y HA 0.405 4.954 4.550 -0.000 0.000 0.347 87 Y C -0.258 175.622 175.900 -0.034 0.000 1.000 87 Y CA -1.834 56.203 58.100 -0.104 0.000 1.051 87 Y CB 1.153 39.568 38.460 -0.076 0.000 1.259 87 Y HN -0.139 nan 8.280 nan 0.000 0.468 88 D N 0.915 121.401 120.400 0.143 0.000 3.057 88 D HA -0.013 4.627 4.640 -0.000 0.000 0.246 88 D C -0.210 176.137 176.300 0.078 0.000 1.238 88 D CA 0.162 54.203 54.000 0.069 0.000 0.949 88 D CB -0.468 40.339 40.800 0.012 0.000 1.086 88 D HN 0.485 nan 8.370 nan 0.000 0.487 89 H N 1.385 120.475 119.070 0.035 0.000 2.722 89 H HA 0.272 4.828 4.556 -0.000 0.000 0.328 89 H C -0.608 174.704 175.328 -0.027 0.000 1.067 89 H CA 0.222 56.263 56.048 -0.011 0.000 1.447 89 H CB 0.722 30.474 29.762 -0.017 0.000 1.469 89 H HN 0.128 nan 8.280 nan 0.000 0.544 90 L N 5.653 126.554 121.223 -0.538 0.000 2.350 90 L HA 0.471 4.810 4.340 -0.000 0.000 0.260 90 L C -0.336 176.279 176.870 -0.425 0.000 1.015 90 L CA -0.988 53.645 54.840 -0.345 0.000 0.821 90 L CB 2.465 44.405 42.059 -0.198 0.000 1.370 90 L HN 0.537 nan 8.230 nan 0.000 0.416 91 I N 2.558 123.001 120.570 -0.211 0.000 2.418 91 I HA 0.432 4.601 4.170 -0.000 0.000 0.287 91 I C -0.882 175.168 176.117 -0.112 0.000 1.008 91 I CA -0.325 60.888 61.300 -0.145 0.000 1.104 91 I CB 1.968 39.917 38.000 -0.085 0.000 1.264 91 I HN 0.375 nan 8.210 nan 0.000 0.438 92 I N 6.389 126.906 120.570 -0.089 0.000 2.382 92 I HA 0.390 4.560 4.170 -0.000 0.000 0.286 92 I C 0.230 176.326 176.117 -0.036 0.000 1.002 92 I CA -0.750 60.500 61.300 -0.085 0.000 1.135 92 I CB 1.283 39.216 38.000 -0.111 0.000 1.288 92 I HN 0.590 nan 8.210 nan 0.000 0.448 93 R N 4.328 124.792 120.500 -0.059 0.000 3.333 93 R HA -0.211 4.128 4.340 -0.000 0.000 0.256 93 R C 1.005 177.324 176.300 0.031 0.000 1.010 93 R CA 0.562 56.654 56.100 -0.014 0.000 0.680 93 R CB -1.713 28.524 30.300 -0.105 0.000 1.102 93 R HN 1.215 nan 8.270 nan 0.000 0.440 94 G N -1.409 107.316 108.800 -0.125 0.000 2.189 94 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.267 94 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.267 94 G C 0.024 174.593 174.900 -0.552 0.000 0.975 94 G CA 0.743 45.631 45.100 -0.354 0.000 0.644 94 G HN 0.378 nan 8.290 nan 0.000 0.537 95 F N 0.421 120.299 119.950 -0.121 0.000 2.561 95 F HA 0.834 5.361 4.527 -0.000 0.000 0.321 95 F C 0.417 176.143 175.800 -0.124 0.000 1.065 95 F CA -0.322 57.608 58.000 -0.115 0.000 0.934 95 F CB 2.295 41.224 39.000 -0.118 0.000 1.215 95 F HN 0.400 nan 8.300 nan 0.000 0.471 96 A N 0.712 123.591 122.820 0.098 0.000 2.566 96 A HA 0.872 5.192 4.320 -0.000 0.000 0.292 96 A C -1.130 176.470 177.584 0.026 0.000 1.112 96 A CA -0.665 51.370 52.037 -0.004 0.000 0.707 96 A CB 0.877 19.885 19.000 0.014 0.000 1.302 96 A HN 1.064 nan 8.150 nan 0.000 0.409 97 A N 0.119 122.930 122.820 -0.014 0.000 2.406 97 A HA 0.487 4.807 4.320 -0.000 0.000 0.243 97 A C 0.482 178.078 177.584 0.020 0.000 1.082 97 A CA 0.215 52.245 52.037 -0.011 0.000 0.786 97 A CB -0.033 18.944 19.000 -0.038 0.000 1.029 97 A HN 0.893 nan 8.150 nan 0.000 0.495 98 E N 0.167 120.375 120.200 0.014 0.000 2.398 98 E HA 0.355 4.705 4.350 -0.000 0.000 0.263 98 E C 1.082 177.685 176.600 0.006 0.000 1.046 98 E CA 0.688 57.102 56.400 0.023 0.000 0.908 98 E CB 0.188 29.910 29.700 0.036 0.000 0.963 98 E HN 1.564 nan 8.360 nan 0.000 0.431 99 G N 2.746 111.542 108.800 -0.007 0.000 2.148 99 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.254 99 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.254 99 G C 0.376 175.203 174.900 -0.122 0.000 0.981 99 G CA 0.779 45.854 45.100 -0.042 0.000 0.670 99 G HN 0.788 nan 8.290 nan 0.000 0.528 100 Q N -1.252 118.482 119.800 -0.111 0.000 2.493 100 Q HA -0.152 4.187 4.340 -0.000 0.000 0.278 100 Q C 0.261 176.165 176.000 -0.161 0.000 1.216 100 Q CA 1.281 56.966 55.803 -0.196 0.000 0.875 100 Q CB -1.767 26.772 28.738 -0.332 0.000 1.262 100 Q HN 1.064 nan 8.270 nan 0.000 0.468 101 S N 0.171 115.842 115.700 -0.048 0.000 2.608 101 S HA 0.530 5.000 4.470 -0.000 0.000 0.291 101 S C -0.023 174.581 174.600 0.008 0.000 1.146 101 S CA -0.839 57.319 58.200 -0.070 0.000 1.043 101 S CB 1.563 64.721 63.200 -0.071 0.000 1.037 101 S HN 0.427 nan 8.310 nan 0.000 0.520 102 Q N 1.108 120.882 119.800 -0.044 0.000 2.471 102 Q HA 0.265 4.605 4.340 -0.000 0.000 0.223 102 Q C -0.261 175.687 176.000 -0.086 0.000 1.045 102 Q CA -0.132 55.639 55.803 -0.054 0.000 0.956 102 Q CB 0.284 28.997 28.738 -0.041 0.000 1.249 102 Q HN 0.501 nan 8.270 nan 0.000 0.549 103 N N 0.810 119.451 118.700 -0.098 0.000 2.687 103 N HA 0.172 4.912 4.740 -0.000 0.000 0.275 103 N C -1.867 173.622 175.510 -0.035 0.000 1.789 103 N CA -0.197 52.806 53.050 -0.079 0.000 0.806 103 N CB 0.204 38.645 38.487 -0.076 0.000 1.256 103 N HN 0.374 nan 8.380 nan 0.000 0.500 104 N N 0.494 119.146 118.700 -0.079 0.000 2.370 104 N HA 0.429 5.169 4.740 -0.000 0.000 0.303 104 N C -1.286 174.164 175.510 -0.100 0.000 1.103 104 N CA -0.072 52.956 53.050 -0.036 0.000 0.848 104 N CB 0.871 39.315 38.487 -0.072 0.000 1.235 104 N HN 0.159 nan 8.380 nan 0.000 0.496 105 Y N -0.061 120.130 120.300 -0.181 0.000 2.570 105 Y HA 0.627 5.177 4.550 -0.000 0.000 0.345 105 Y C -0.667 175.143 175.900 -0.150 0.000 1.014 105 Y CA -1.048 56.947 58.100 -0.174 0.000 1.063 105 Y CB 1.705 40.023 38.460 -0.237 0.000 1.272 105 Y HN 0.310 nan 8.280 nan 0.000 0.477 106 L N 2.549 123.780 121.223 0.012 0.000 2.406 106 L HA 0.479 4.819 4.340 -0.000 0.000 0.272 106 L C -0.454 176.408 176.870 -0.012 0.000 0.980 106 L CA -0.575 54.236 54.840 -0.049 0.000 0.831 106 L CB 1.181 43.160 42.059 -0.133 0.000 1.253 106 L HN 0.816 nan 8.230 nan 0.000 0.406 107 N N 4.024 122.729 118.700 0.009 0.000 2.721 107 N HA -0.217 4.523 4.740 -0.000 0.000 0.249 107 N C 0.911 176.480 175.510 0.098 0.000 1.072 107 N CA 0.759 53.837 53.050 0.047 0.000 0.710 107 N CB -0.970 37.505 38.487 -0.020 0.000 0.993 107 N HN 1.290 nan 8.380 nan 0.000 0.547 108 G N -1.353 107.539 108.800 0.152 0.000 2.184 108 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.264 108 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.264 108 G C -0.035 175.060 174.900 0.324 0.000 0.975 108 G CA 0.610 45.863 45.100 0.256 0.000 0.642 108 G HN 0.375 nan 8.290 nan 0.000 0.536 109 L N -0.029 121.320 121.223 0.211 0.000 2.365 109 L HA 0.543 4.883 4.340 -0.000 0.000 0.273 109 L C 0.492 177.346 176.870 -0.027 0.000 1.000 109 L CA -1.065 53.845 54.840 0.117 0.000 0.819 109 L CB 2.004 44.032 42.059 -0.052 0.000 1.284 109 L HN 0.119 nan 8.230 nan 0.000 0.418 110 K N 2.632 122.842 120.400 -0.317 0.000 2.298 110 K HA 0.329 4.649 4.320 -0.000 0.000 0.280 110 K C -0.528 175.809 176.600 -0.438 0.000 1.032 110 K CA -0.415 55.358 56.287 -0.857 0.000 0.958 110 K CB 0.685 32.485 32.500 -1.167 0.000 0.978 110 K HN 0.548 nan 8.250 nan 0.000 0.472 111 L N 4.879 125.864 121.223 -0.397 0.000 2.399 111 L HA 0.098 4.438 4.340 -0.000 0.000 0.257 111 L C -0.014 176.728 176.870 -0.213 0.000 1.236 111 L CA -0.527 54.169 54.840 -0.239 0.000 1.144 111 L CB 0.219 42.164 42.059 -0.189 0.000 1.379 111 L HN 0.605 nan 8.230 nan 0.000 0.414 112 Q N 1.799 121.484 119.800 -0.192 0.000 2.244 112 Q HA 0.270 4.610 4.340 -0.000 0.000 0.276 112 Q C 0.270 176.227 176.000 -0.072 0.000 1.122 112 Q CA 0.249 55.972 55.803 -0.133 0.000 0.920 112 Q CB 1.055 29.740 28.738 -0.089 0.000 1.186 112 Q HN 0.513 nan 8.270 nan 0.000 0.393 113 G N 3.262 112.027 108.800 -0.060 0.000 2.705 113 G HA2 0.530 4.489 3.960 -0.000 0.000 0.299 113 G HA3 0.530 4.489 3.960 -0.000 0.000 0.299 113 G C -1.081 173.826 174.900 0.012 0.000 1.315 113 G CA -0.601 44.490 45.100 -0.015 0.000 1.045 113 G HN 0.732 nan 8.290 nan 0.000 0.517 114 N N -1.237 117.495 118.700 0.054 0.000 2.555 114 N HA 0.241 4.980 4.740 -0.000 0.000 0.265 114 N C -0.064 175.565 175.510 0.199 0.000 1.135 114 N CA -0.457 52.655 53.050 0.103 0.000 0.925 114 N CB 1.704 40.256 38.487 0.109 0.000 1.662 114 N HN 0.402 nan 8.380 nan 0.000 0.489 115 F N 2.278 122.203 119.950 -0.042 0.000 2.338 115 F HA -0.434 4.093 4.527 -0.000 0.000 0.262 115 F C 0.489 176.166 175.800 -0.204 0.000 1.441 115 F CA 2.216 60.153 58.000 -0.104 0.000 2.000 115 F CB -0.985 38.048 39.000 0.055 0.000 0.547 115 F HN 0.719 nan 8.300 nan 0.000 0.206 116 Y N -0.466 119.898 120.300 0.108 0.000 2.458 116 Y HA 0.266 4.816 4.550 -0.000 0.000 0.254 116 Y C 1.024 177.027 175.900 0.172 0.000 1.120 116 Y CA 0.568 58.697 58.100 0.048 0.000 1.282 116 Y CB -0.187 38.343 38.460 0.116 0.000 1.109 116 Y HN 0.157 nan 8.280 nan 0.000 0.526 117 N N 2.022 120.902 118.700 0.299 0.000 2.605 117 N HA 0.014 4.754 4.740 -0.000 0.000 0.258 117 N C -1.487 174.115 175.510 0.154 0.000 1.156 117 N CA 0.445 53.634 53.050 0.232 0.000 1.008 117 N CB -0.222 38.378 38.487 0.189 0.000 1.354 117 N HN 0.098 nan 8.380 nan 0.000 0.509 118 D N 0.743 121.270 120.400 0.212 0.000 2.593 118 D HA 0.364 5.004 4.640 -0.000 0.000 0.251 118 D C -0.504 175.900 176.300 0.174 0.000 1.140 118 D CA -0.388 53.699 54.000 0.144 0.000 0.855 118 D CB 1.802 42.636 40.800 0.056 0.000 1.267 118 D HN 0.393 nan 8.370 nan 0.000 0.532 119 A N 1.857 124.718 122.820 0.068 0.000 2.332 119 A HA 0.598 4.918 4.320 -0.000 0.000 0.258 119 A C -0.300 177.294 177.584 0.016 0.000 1.087 119 A CA -0.267 51.789 52.037 0.032 0.000 0.802 119 A CB 0.858 19.844 19.000 -0.025 0.000 1.042 119 A HN 0.371 nan 8.150 nan 0.000 0.489 120 V N 2.551 122.464 119.914 -0.001 0.000 2.808 120 V HA 0.389 4.509 4.120 -0.000 0.000 0.308 120 V C -1.128 174.935 176.094 -0.052 0.000 1.099 120 V CA -0.553 61.731 62.300 -0.026 0.000 0.920 120 V CB 1.858 33.667 31.823 -0.024 0.000 1.014 120 V HN 0.722 nan 8.190 nan 0.000 0.425 121 I N 3.551 124.046 120.570 -0.124 0.000 2.404 121 I HA 0.403 4.573 4.170 -0.000 0.000 0.293 121 I C 0.040 176.113 176.117 -0.072 0.000 0.992 121 I CA -0.412 60.750 61.300 -0.230 0.000 1.149 121 I CB 1.707 39.473 38.000 -0.389 0.000 1.315 121 I HN 0.618 nan 8.210 nan 0.000 0.446 122 D N 8.330 128.760 120.400 0.050 0.000 2.350 122 D HA 0.130 4.770 4.640 -0.000 0.000 0.249 122 D C -1.498 174.828 176.300 0.044 0.000 1.119 122 D CA -1.372 52.671 54.000 0.071 0.000 0.886 122 D CB 2.261 43.145 40.800 0.140 0.000 1.195 122 D HN 0.257 nan 8.370 nan 0.000 0.437 123 P HA -0.221 nan 4.420 nan 0.000 0.218 123 P C 1.300 178.633 177.300 0.055 0.000 1.146 123 P CA 0.959 64.071 63.100 0.020 0.000 0.813 123 P CB -0.060 31.650 31.700 0.015 0.000 0.778 124 Y N 1.020 121.299 120.300 -0.035 0.000 2.403 124 Y HA -0.079 4.470 4.550 -0.000 0.000 0.291 124 Y C 2.051 177.936 175.900 -0.026 0.000 1.143 124 Y CA 1.181 59.259 58.100 -0.038 0.000 1.257 124 Y CB -0.566 37.868 38.460 -0.043 0.000 0.984 124 Y HN -0.151 nan 8.280 nan 0.000 0.550 125 M N -0.100 119.472 119.600 -0.047 0.000 2.495 125 M HA 0.207 4.687 4.480 -0.000 0.000 0.237 125 M C -0.337 175.892 176.300 -0.118 0.000 1.131 125 M CA 0.358 55.601 55.300 -0.096 0.000 1.032 125 M CB -0.641 32.000 32.600 0.068 0.000 1.513 125 M HN -0.006 nan 8.290 nan 0.000 0.488 126 L N 0.340 121.496 121.223 -0.111 0.000 2.334 126 L HA 0.284 4.624 4.340 -0.000 0.000 0.275 126 L C 1.402 178.213 176.870 -0.098 0.000 1.036 126 L CA -0.333 54.447 54.840 -0.100 0.000 0.807 126 L CB 1.640 43.649 42.059 -0.083 0.000 1.231 126 L HN -0.023 nan 8.230 nan 0.000 0.438 127 E N 1.581 121.733 120.200 -0.081 0.000 2.166 127 E HA 0.120 4.470 4.350 -0.000 0.000 0.192 127 E C -0.140 176.421 176.600 -0.065 0.000 0.967 127 E CA 0.909 57.266 56.400 -0.071 0.000 0.840 127 E CB 0.575 30.245 29.700 -0.050 0.000 0.795 127 E HN 0.500 nan 8.360 nan 0.000 0.470 128 R N -1.410 119.052 120.500 -0.063 0.000 2.764 128 R HA 0.775 5.115 4.340 -0.000 0.000 0.270 128 R C -1.529 174.731 176.300 -0.067 0.000 1.014 128 R CA -0.554 55.506 56.100 -0.066 0.000 0.904 128 R CB 2.024 32.281 30.300 -0.072 0.000 1.236 128 R HN -0.046 nan 8.270 nan 0.000 0.466 129 A N 1.530 124.310 122.820 -0.067 0.000 2.457 129 A HA 0.403 4.722 4.320 -0.000 0.000 0.283 129 A C -1.103 176.436 177.584 -0.075 0.000 1.166 129 A CA -0.699 51.297 52.037 -0.068 0.000 0.740 129 A CB 0.893 19.859 19.000 -0.057 0.000 1.181 129 A HN 0.668 nan 8.150 nan 0.000 0.446 130 E N 2.501 122.646 120.200 -0.090 0.000 2.183 130 E HA 0.502 4.851 4.350 -0.000 0.000 0.271 130 E C -0.946 175.582 176.600 -0.121 0.000 0.919 130 E CA -0.805 55.533 56.400 -0.104 0.000 0.781 130 E CB 2.179 31.808 29.700 -0.119 0.000 1.140 130 E HN 0.463 nan 8.360 nan 0.000 0.402 131 I N 2.922 123.423 120.570 -0.115 0.000 2.354 131 I HA 0.293 4.463 4.170 -0.000 0.000 0.292 131 I C -0.174 175.856 176.117 -0.145 0.000 0.989 131 I CA -0.551 60.672 61.300 -0.128 0.000 1.188 131 I CB 1.343 39.282 38.000 -0.101 0.000 1.342 131 I HN 0.531 nan 8.210 nan 0.000 0.457 132 M N 6.125 125.615 119.600 -0.183 0.000 2.072 132 M HA 0.351 4.830 4.480 -0.000 0.000 0.331 132 M C -0.450 175.734 176.300 -0.194 0.000 1.004 132 M CA -0.800 54.385 55.300 -0.192 0.000 0.952 132 M CB 1.265 33.721 32.600 -0.241 0.000 1.511 132 M HN 0.443 nan 8.290 nan 0.000 0.422 133 R N 1.467 121.861 120.500 -0.176 0.000 2.410 133 R HA 0.696 5.036 4.340 -0.000 0.000 0.288 133 R C 0.405 176.563 176.300 -0.237 0.000 1.051 133 R CA 0.913 56.889 56.100 -0.207 0.000 1.021 133 R CB 1.068 31.245 30.300 -0.206 0.000 1.032 133 R HN 0.946 nan 8.270 nan 0.000 0.481 134 G N 3.361 111.995 108.800 -0.276 0.000 2.760 134 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.246 134 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.246 134 G C -2.600 172.135 174.900 -0.275 0.000 1.359 134 G CA -1.295 43.630 45.100 -0.290 0.000 0.861 134 G HN 0.469 nan 8.290 nan 0.000 0.541 135 P HA 0.307 nan 4.420 nan 0.000 0.265 135 P C 0.900 178.052 177.300 -0.246 0.000 1.187 135 P CA 1.043 63.970 63.100 -0.288 0.000 0.766 135 P CB 0.926 32.423 31.700 -0.339 0.000 0.820 136 V N -0.949 118.843 119.914 -0.203 0.000 3.440 136 V HA 0.104 4.224 4.120 -0.000 0.000 0.301 136 V C 1.330 177.382 176.094 -0.070 0.000 1.555 136 V CA 0.382 62.605 62.300 -0.129 0.000 1.095 136 V CB -0.220 31.535 31.823 -0.114 0.000 0.936 136 V HN 0.272 nan 8.190 nan 0.000 0.452 137 S N 0.999 116.633 115.700 -0.109 0.000 2.402 137 S HA -0.191 4.278 4.470 -0.000 0.000 0.233 137 S C 1.842 176.404 174.600 -0.062 0.000 1.030 137 S CA 1.928 60.095 58.200 -0.055 0.000 1.003 137 S CB -0.135 63.062 63.200 -0.005 0.000 0.813 137 S HN 0.714 nan 8.310 nan 0.000 0.477 138 V N 0.421 120.260 119.914 -0.125 0.000 2.828 138 V HA -0.093 4.027 4.120 -0.000 0.000 0.260 138 V C 1.385 177.347 176.094 -0.220 0.000 1.101 138 V CA 1.489 63.704 62.300 -0.142 0.000 1.123 138 V CB -0.107 31.628 31.823 -0.146 0.000 0.704 138 V HN 0.385 nan 8.190 nan 0.000 0.493 139 L N -2.452 118.571 121.223 -0.332 0.000 2.948 139 L HA 0.361 4.700 4.340 -0.000 0.000 0.259 139 L C 1.236 177.540 176.870 -0.943 0.000 1.136 139 L CA 0.945 55.348 54.840 -0.728 0.000 0.959 139 L CB 0.295 41.925 42.059 -0.715 0.000 1.370 139 L HN 0.371 nan 8.230 nan 0.000 0.552 140 Y N -1.116 119.027 120.300 -0.262 0.000 2.432 140 Y HA 0.618 5.168 4.550 -0.000 0.000 0.252 140 Y C 1.421 177.308 175.900 -0.022 0.000 1.097 140 Y CA 0.091 58.101 58.100 -0.151 0.000 1.250 140 Y CB 0.507 38.830 38.460 -0.230 0.000 1.245 140 Y HN 0.046 nan 8.280 nan 0.000 0.522 141 G N 1.520 110.376 108.800 0.094 0.000 2.548 141 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.208 141 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.208 141 G C -0.698 174.125 174.900 -0.128 0.000 1.308 141 G CA -0.662 44.514 45.100 0.126 0.000 0.924 141 G HN 0.308 nan 8.290 nan 0.000 0.540 142 K N -0.731 119.432 120.400 -0.394 0.000 2.530 142 K HA 0.452 4.771 4.320 -0.000 0.000 0.280 142 K C 0.042 176.377 176.600 -0.441 0.000 1.004 142 K CA 0.886 56.602 56.287 -0.952 0.000 1.071 142 K CB 0.804 32.914 32.500 -0.649 0.000 0.876 142 K HN 1.515 nan 8.250 nan 0.000 0.487 143 S N 1.819 117.244 115.700 -0.458 0.000 2.565 143 S HA 0.160 4.630 4.470 -0.000 0.000 0.274 143 S C -1.103 173.354 174.600 -0.238 0.000 1.144 143 S CA -0.766 57.286 58.200 -0.246 0.000 0.849 143 S CB 1.633 64.730 63.200 -0.171 0.000 1.103 143 S HN 0.761 nan 8.310 nan 0.000 0.455 144 S N 2.332 117.926 115.700 -0.177 0.000 2.568 144 S HA 0.304 4.774 4.470 -0.000 0.000 0.282 144 S C -1.702 172.750 174.600 -0.247 0.000 1.338 144 S CA -0.668 57.429 58.200 -0.171 0.000 1.045 144 S CB 0.461 63.595 63.200 -0.110 0.000 0.873 144 S HN 0.561 nan 8.310 nan 0.000 0.516 145 P HA 0.036 nan 4.420 nan 0.000 0.217 145 P C 1.522 178.547 177.300 -0.459 0.000 1.150 145 P CA 1.131 63.929 63.100 -0.505 0.000 0.832 145 P CB -0.258 30.918 31.700 -0.872 0.000 0.787 146 G N -1.145 107.442 108.800 -0.356 0.000 2.475 146 G HA2 0.151 4.110 3.960 -0.000 0.000 0.220 146 G HA3 0.151 4.110 3.960 -0.000 0.000 0.220 146 G C 0.801 175.590 174.900 -0.185 0.000 1.125 146 G CA 0.947 45.960 45.100 -0.145 0.000 0.755 146 G HN 0.649 nan 8.290 nan 0.000 0.565 147 G N -1.289 107.389 108.800 -0.203 0.000 2.315 147 G HA2 0.378 4.338 3.960 -0.000 0.000 0.296 147 G HA3 0.378 4.338 3.960 -0.000 0.000 0.296 147 G C -1.158 173.618 174.900 -0.208 0.000 1.289 147 G CA -0.329 44.642 45.100 -0.215 0.000 0.996 147 G HN 1.134 nan 8.290 nan 0.000 0.487 148 L N -1.773 119.306 121.223 -0.239 0.000 2.479 148 L HA 0.973 5.313 4.340 -0.000 0.000 0.255 148 L C -1.753 174.985 176.870 -0.219 0.000 1.026 148 L CA -1.206 53.494 54.840 -0.233 0.000 0.842 148 L CB 2.000 43.823 42.059 -0.393 0.000 1.444 148 L HN 1.359 nan 8.230 nan 0.000 0.409 149 L N 2.430 123.567 121.223 -0.143 0.000 2.329 149 L HA 0.629 4.969 4.340 -0.000 0.000 0.279 149 L C -1.234 175.574 176.870 -0.104 0.000 1.014 149 L CA 0.116 54.882 54.840 -0.124 0.000 0.814 149 L CB 1.522 43.528 42.059 -0.087 0.000 1.257 149 L HN 0.812 nan 8.230 nan 0.000 0.424 150 N N 4.591 123.211 118.700 -0.134 0.000 2.504 150 N HA 0.553 5.293 4.740 -0.000 0.000 0.280 150 N C -1.437 174.028 175.510 -0.076 0.000 1.052 150 N CA -0.327 52.661 53.050 -0.103 0.000 0.887 150 N CB 1.108 39.480 38.487 -0.191 0.000 1.323 150 N HN 0.686 nan 8.380 nan 0.000 0.509 151 M N 1.854 121.420 119.600 -0.057 0.000 2.318 151 M HA 0.441 4.921 4.480 -0.000 0.000 0.347 151 M C -0.606 175.662 176.300 -0.053 0.000 1.175 151 M CA -0.856 54.402 55.300 -0.070 0.000 1.075 151 M CB 1.784 34.327 32.600 -0.094 0.000 1.614 151 M HN 0.100 nan 8.290 nan 0.000 0.456 152 V N 2.285 122.170 119.914 -0.049 0.000 2.350 152 V HA 0.285 4.405 4.120 -0.000 0.000 0.285 152 V C -0.113 175.956 176.094 -0.042 0.000 1.014 152 V CA -0.684 61.605 62.300 -0.018 0.000 0.831 152 V CB 1.471 33.298 31.823 0.006 0.000 1.000 152 V HN 0.949 nan 8.190 nan 0.000 0.433 153 S N 4.175 119.844 115.700 -0.052 0.000 2.576 153 S HA 0.201 4.671 4.470 -0.000 0.000 0.272 153 S C 0.326 174.894 174.600 -0.054 0.000 1.352 153 S CA -0.286 57.870 58.200 -0.074 0.000 1.021 153 S CB 0.444 63.592 63.200 -0.087 0.000 0.887 153 S HN 0.630 nan 8.310 nan 0.000 0.542 154 K N 1.343 121.699 120.400 -0.073 0.000 2.219 154 K HA 0.373 4.692 4.320 -0.000 0.000 0.258 154 K C 0.237 176.806 176.600 -0.052 0.000 1.008 154 K CA -0.063 56.181 56.287 -0.072 0.000 0.928 154 K CB 0.497 32.931 32.500 -0.111 0.000 0.983 154 K HN 0.488 nan 8.250 nan 0.000 0.484 155 R N 0.885 121.361 120.500 -0.040 0.000 2.869 155 R HA 0.339 4.678 4.340 -0.000 0.000 0.263 155 R C -2.688 173.594 176.300 -0.031 0.000 1.066 155 R CA -2.212 53.873 56.100 -0.025 0.000 0.960 155 R CB 1.247 31.546 30.300 -0.001 0.000 1.221 155 R HN 0.362 nan 8.270 nan 0.000 0.474 156 P HA -0.008 nan 4.420 nan 0.000 0.263 156 P C -0.650 176.633 177.300 -0.027 0.000 1.195 156 P CA 0.547 63.627 63.100 -0.034 0.000 0.762 156 P CB 0.451 32.164 31.700 0.022 0.000 0.799 157 T N 2.205 116.726 114.554 -0.054 0.000 2.828 157 T HA 0.079 4.429 4.350 -0.000 0.000 0.290 157 T C 1.612 176.301 174.700 -0.019 0.000 1.019 157 T CA -0.067 62.010 62.100 -0.039 0.000 1.031 157 T CB 0.323 69.158 68.868 -0.055 0.000 1.001 157 T HN 0.325 nan 8.240 nan 0.000 0.531 158 T N 1.148 115.696 114.554 -0.010 0.000 2.698 158 T HA -0.042 4.308 4.350 -0.000 0.000 0.260 158 T C 1.049 175.751 174.700 0.003 0.000 1.044 158 T CA 0.938 63.040 62.100 0.002 0.000 1.149 158 T CB -0.084 68.784 68.868 0.000 0.000 0.864 158 T HN 0.738 nan 8.240 nan 0.000 0.419 159 E N 2.122 122.319 120.200 -0.005 0.000 2.254 159 E HA 0.325 4.675 4.350 -0.000 0.000 0.261 159 E C -3.084 173.509 176.600 -0.011 0.000 1.051 159 E CA -2.676 53.724 56.400 -0.001 0.000 0.902 159 E CB 0.052 29.750 29.700 -0.004 0.000 1.168 159 E HN 0.026 nan 8.360 nan 0.000 0.423 160 P HA 0.136 nan 4.420 nan 0.000 0.269 160 P C -0.869 176.409 177.300 -0.037 0.000 1.209 160 P CA -0.173 62.924 63.100 -0.006 0.000 0.776 160 P CB 0.308 32.025 31.700 0.028 0.000 0.876 161 L N 3.020 124.199 121.223 -0.072 0.000 2.476 161 L HA 0.442 4.781 4.340 -0.000 0.000 0.269 161 L C -0.988 175.725 176.870 -0.261 0.000 0.965 161 L CA -0.170 54.597 54.840 -0.122 0.000 0.845 161 L CB 1.602 43.594 42.059 -0.111 0.000 1.259 161 L HN 0.188 nan 8.230 nan 0.000 0.403 162 K N 4.602 124.805 120.400 -0.329 0.000 2.827 162 K HA 0.338 4.658 4.320 -0.000 0.000 0.186 162 K C -1.074 175.276 176.600 -0.417 0.000 1.093 162 K CA -0.308 55.522 56.287 -0.762 0.000 0.993 162 K CB 1.313 33.614 32.500 -0.332 0.000 1.199 162 K HN 0.626 nan 8.250 nan 0.000 0.598 163 E N 1.881 121.858 120.200 -0.371 0.000 2.191 163 E HA 0.466 4.816 4.350 -0.000 0.000 0.274 163 E C -1.144 175.604 176.600 0.247 0.000 0.948 163 E CA -0.862 55.539 56.400 0.002 0.000 0.802 163 E CB 1.391 31.104 29.700 0.023 0.000 1.137 163 E HN 0.055 nan 8.360 nan 0.000 0.397 164 V N 3.821 123.900 119.914 0.275 0.000 2.638 164 V HA 0.304 4.424 4.120 -0.000 0.000 0.306 164 V C -0.799 175.264 176.094 -0.053 0.000 1.052 164 V CA -0.724 61.712 62.300 0.227 0.000 0.885 164 V CB 1.733 33.771 31.823 0.359 0.000 0.999 164 V HN 0.751 nan 8.190 nan 0.000 0.424 165 Q N 3.144 122.800 119.800 -0.239 0.000 2.337 165 Q HA 0.672 5.012 4.340 -0.000 0.000 0.270 165 Q C -2.123 173.636 176.000 -0.402 0.000 1.043 165 Q CA -0.527 55.092 55.803 -0.308 0.000 0.794 165 Q CB 2.032 30.640 28.738 -0.215 0.000 1.281 165 Q HN 0.598 nan 8.270 nan 0.000 0.446 166 F N 2.102 122.083 119.950 0.051 0.000 2.495 166 F HA 0.558 5.085 4.527 -0.000 0.000 0.327 166 F C -0.084 175.728 175.800 0.021 0.000 1.103 166 F CA -0.622 57.429 58.000 0.085 0.000 0.949 166 F CB 1.772 40.877 39.000 0.176 0.000 1.142 166 F HN 0.283 nan 8.300 nan 0.000 0.457 167 K N 1.999 122.528 120.400 0.216 0.000 2.422 167 K HA 0.928 5.248 4.320 -0.000 0.000 0.251 167 K C -1.396 175.229 176.600 0.043 0.000 0.933 167 K CA -1.181 55.151 56.287 0.075 0.000 0.798 167 K CB 2.786 35.273 32.500 -0.021 0.000 1.238 167 K HN 0.673 nan 8.250 nan 0.000 0.428 168 A N 1.233 124.019 122.820 -0.056 0.000 2.465 168 A HA 0.781 5.101 4.320 -0.000 0.000 0.292 168 A C -0.835 176.613 177.584 -0.226 0.000 1.041 168 A CA -0.421 51.465 52.037 -0.252 0.000 0.718 168 A CB 1.768 20.677 19.000 -0.151 0.000 1.266 168 A HN 0.792 nan 8.150 nan 0.000 0.403 169 G N 0.014 108.621 108.800 -0.323 0.000 2.749 169 G HA2 0.748 4.708 3.960 -0.000 0.000 0.300 169 G HA3 0.748 4.708 3.960 -0.000 0.000 0.300 169 G C -0.140 174.647 174.900 -0.188 0.000 1.352 169 G CA 0.242 45.230 45.100 -0.187 0.000 0.789 169 G HN 1.344 nan 8.290 nan 0.000 0.509 170 T N -0.946 113.545 114.554 -0.104 0.000 2.903 170 T HA 0.297 4.647 4.350 -0.000 0.000 0.314 170 T C 0.130 174.785 174.700 -0.076 0.000 1.078 170 T CA 0.849 62.903 62.100 -0.076 0.000 1.114 170 T CB 0.704 69.547 68.868 -0.041 0.000 0.987 170 T HN 0.702 nan 8.240 nan 0.000 0.548 171 D N 0.208 120.578 120.400 -0.050 0.000 2.835 171 D HA -0.182 4.457 4.640 -0.000 0.000 0.230 171 D C 0.157 176.444 176.300 -0.021 0.000 1.130 171 D CA 0.997 54.980 54.000 -0.029 0.000 0.738 171 D CB -1.585 39.198 40.800 -0.027 0.000 1.090 171 D HN 0.855 nan 8.370 nan 0.000 0.433 172 S N -1.622 114.060 115.700 -0.032 0.000 3.581 172 S HA -0.261 4.209 4.470 -0.000 0.000 0.354 172 S C 0.285 174.861 174.600 -0.041 0.000 1.059 172 S CA 0.696 58.912 58.200 0.028 0.000 1.060 172 S CB -0.859 62.443 63.200 0.170 0.000 0.908 172 S HN 0.527 nan 8.310 nan 0.000 0.475 173 L N 1.521 122.603 121.223 -0.234 0.000 2.360 173 L HA 0.690 5.029 4.340 -0.000 0.000 0.276 173 L C -0.501 176.085 176.870 -0.472 0.000 1.121 173 L CA 0.579 55.297 54.840 -0.204 0.000 0.845 173 L CB 0.020 41.981 42.059 -0.163 0.000 1.143 173 L HN 0.120 nan 8.230 nan 0.000 0.452 174 F N 4.125 124.083 119.950 0.012 0.000 2.561 174 F HA 0.564 5.090 4.527 -0.000 0.000 0.313 174 F C -0.155 175.662 175.800 0.028 0.000 1.126 174 F CA -0.468 57.552 58.000 0.033 0.000 0.918 174 F CB 1.794 40.821 39.000 0.046 0.000 1.199 174 F HN 0.523 nan 8.300 nan 0.000 0.444 175 Q N 1.659 121.578 119.800 0.198 0.000 2.340 175 Q HA 0.598 4.938 4.340 -0.000 0.000 0.276 175 Q C -1.698 174.402 176.000 0.168 0.000 1.048 175 Q CA -0.598 55.274 55.803 0.116 0.000 0.832 175 Q CB 2.737 31.469 28.738 -0.010 0.000 1.373 175 Q HN 0.695 nan 8.270 nan 0.000 0.409 176 T N 1.407 116.050 114.554 0.149 0.000 2.921 176 T HA 0.863 5.213 4.350 -0.000 0.000 0.297 176 T C -0.994 173.737 174.700 0.052 0.000 1.013 176 T CA -0.001 62.211 62.100 0.186 0.000 0.990 176 T CB 1.335 70.420 68.868 0.363 0.000 1.023 176 T HN 0.738 nan 8.240 nan 0.000 0.447 177 G N 2.754 111.520 108.800 -0.057 0.000 2.694 177 G HA2 0.814 4.773 3.960 -0.000 0.000 0.290 177 G HA3 0.814 4.773 3.960 -0.000 0.000 0.290 177 G C -1.640 173.356 174.900 0.161 0.000 1.386 177 G CA -0.893 44.148 45.100 -0.100 0.000 0.872 177 G HN 0.864 nan 8.290 nan 0.000 0.475 178 F N -1.107 119.006 119.950 0.272 0.000 2.654 178 F HA 0.813 5.340 4.527 -0.000 0.000 0.308 178 F C -1.893 174.190 175.800 0.472 0.000 1.108 178 F CA -1.397 56.832 58.000 0.381 0.000 0.957 178 F CB 2.558 41.786 39.000 0.380 0.000 1.309 178 F HN 0.393 nan 8.300 nan 0.000 0.446 179 D N 1.940 122.709 120.400 0.615 0.000 2.602 179 D HA 0.432 5.072 4.640 -0.000 0.000 0.245 179 D C -2.032 174.460 176.300 0.320 0.000 1.325 179 D CA -0.086 54.115 54.000 0.335 0.000 0.952 179 D CB 1.505 42.339 40.800 0.055 0.000 1.317 179 D HN 0.440 nan 8.370 nan 0.000 0.577 180 F N 1.247 121.346 119.950 0.249 0.000 2.540 180 F HA 0.582 5.109 4.527 -0.000 0.000 0.317 180 F C 0.282 176.088 175.800 0.011 0.000 1.104 180 F CA -0.586 57.542 58.000 0.214 0.000 0.913 180 F CB 2.389 41.610 39.000 0.367 0.000 1.170 180 F HN 0.074 nan 8.300 nan 0.000 0.450 181 S N 2.297 117.957 115.700 -0.067 0.000 2.533 181 S HA 0.684 5.154 4.470 -0.000 0.000 0.271 181 S C -1.931 172.458 174.600 -0.351 0.000 1.143 181 S CA -0.366 57.586 58.200 -0.413 0.000 0.891 181 S CB 1.521 64.587 63.200 -0.223 0.000 1.105 181 S HN 0.736 nan 8.310 nan 0.000 0.468 182 D N 0.474 120.560 120.400 -0.524 0.000 2.769 182 D HA 0.430 5.070 4.640 -0.000 0.000 0.309 182 D C -1.087 175.238 176.300 0.042 0.000 1.315 182 D CA -0.193 53.749 54.000 -0.096 0.000 0.780 182 D CB 1.701 42.584 40.800 0.139 0.000 1.312 182 D HN 0.449 nan 8.370 nan 0.000 0.437 183 S N -0.153 115.641 115.700 0.158 0.000 2.687 183 S HA 0.531 5.001 4.470 -0.000 0.000 0.283 183 S C 0.937 175.709 174.600 0.285 0.000 1.170 183 S CA -0.529 57.805 58.200 0.223 0.000 1.008 183 S CB 1.082 64.384 63.200 0.170 0.000 1.026 183 S HN 0.368 nan 8.310 nan 0.000 0.541 184 L N 0.604 122.006 121.223 0.299 0.000 2.766 184 L HA 0.321 4.660 4.340 -0.000 0.000 0.242 184 L C -0.264 176.715 176.870 0.181 0.000 1.136 184 L CA -0.052 54.929 54.840 0.236 0.000 0.933 184 L CB -0.095 42.090 42.059 0.211 0.000 1.241 184 L HN 0.670 nan 8.230 nan 0.000 0.522 185 D N -3.863 116.666 120.400 0.215 0.000 2.579 185 D HA 0.205 4.845 4.640 -0.000 0.000 0.257 185 D C 0.040 176.432 176.300 0.152 0.000 1.176 185 D CA -0.642 53.468 54.000 0.184 0.000 0.914 185 D CB 1.018 41.975 40.800 0.261 0.000 1.431 185 D HN -0.313 nan 8.370 nan 0.000 0.454 186 D N -0.186 120.287 120.400 0.121 0.000 2.087 186 D HA -0.125 4.515 4.640 -0.000 0.000 0.192 186 D C 1.015 177.370 176.300 0.092 0.000 0.993 186 D CA 1.298 55.355 54.000 0.095 0.000 0.828 186 D CB -0.245 40.601 40.800 0.077 0.000 0.968 186 D HN 0.459 nan 8.370 nan 0.000 0.448 187 D N -0.676 119.782 120.400 0.096 0.000 2.263 187 D HA 0.051 4.691 4.640 -0.000 0.000 0.208 187 D C 1.288 177.635 176.300 0.078 0.000 0.971 187 D CA 1.331 55.379 54.000 0.078 0.000 0.867 187 D CB -0.109 40.735 40.800 0.073 0.000 0.929 187 D HN 0.353 nan 8.370 nan 0.000 0.492 188 G N -0.307 108.559 108.800 0.110 0.000 2.165 188 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.226 188 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.226 188 G C 0.994 175.948 174.900 0.091 0.000 1.035 188 G CA 0.269 45.434 45.100 0.109 0.000 0.744 188 G HN 0.280 nan 8.290 nan 0.000 0.501 189 V N -1.141 118.830 119.914 0.095 0.000 2.488 189 V HA 0.161 4.280 4.120 -0.000 0.000 0.246 189 V C 0.930 176.957 176.094 -0.111 0.000 1.046 189 V CA 1.436 63.703 62.300 -0.055 0.000 1.053 189 V CB -0.292 31.460 31.823 -0.119 0.000 0.679 189 V HN 0.457 nan 8.190 nan 0.000 0.458 190 Y N 0.240 120.702 120.300 0.271 0.000 2.331 190 Y HA 0.615 5.165 4.550 -0.000 0.000 0.334 190 Y C 0.198 176.267 175.900 0.281 0.000 0.960 190 Y CA -0.627 57.653 58.100 0.300 0.000 1.130 190 Y CB 1.756 40.356 38.460 0.233 0.000 1.164 190 Y HN 0.063 nan 8.280 nan 0.000 0.458 191 S N 2.467 118.431 115.700 0.440 0.000 2.599 191 S HA 0.857 5.327 4.470 -0.000 0.000 0.287 191 S C -1.391 173.473 174.600 0.440 0.000 1.105 191 S CA -0.784 57.625 58.200 0.348 0.000 0.899 191 S CB 2.057 65.366 63.200 0.181 0.000 1.100 191 S HN 0.665 nan 8.310 nan 0.000 0.482 192 Y N -0.522 119.944 120.300 0.277 0.000 2.677 192 Y HA 0.858 5.408 4.550 -0.000 0.000 0.334 192 Y C -0.810 175.153 175.900 0.105 0.000 1.154 192 Y CA -1.286 56.944 58.100 0.217 0.000 1.070 192 Y CB 1.375 40.050 38.460 0.357 0.000 1.294 192 Y HN 1.017 nan 8.280 nan 0.000 0.475 193 R N 2.065 122.556 120.500 -0.015 0.000 2.515 193 R HA 0.627 4.967 4.340 -0.000 0.000 0.278 193 R C -2.756 173.651 176.300 0.178 0.000 1.107 193 R CA -0.731 55.348 56.100 -0.035 0.000 0.945 193 R CB 1.720 31.977 30.300 -0.072 0.000 1.219 193 R HN 0.863 nan 8.270 nan 0.000 0.434 194 L N 3.148 124.576 121.223 0.342 0.000 2.376 194 L HA 0.596 4.936 4.340 -0.000 0.000 0.275 194 L C -1.331 175.717 176.870 0.297 0.000 0.987 194 L CA 0.081 55.129 54.840 0.347 0.000 0.828 194 L CB 2.365 44.710 42.059 0.476 0.000 1.249 194 L HN 0.697 nan 8.230 nan 0.000 0.409 195 T N 3.139 117.746 114.554 0.089 0.000 2.841 195 T HA 0.910 5.260 4.350 -0.000 0.000 0.283 195 T C -0.253 174.264 174.700 -0.305 0.000 1.000 195 T CA -0.601 61.433 62.100 -0.110 0.000 0.977 195 T CB 1.737 70.535 68.868 -0.117 0.000 0.979 195 T HN 0.826 nan 8.240 nan 0.000 0.446 196 G N 2.124 110.483 108.800 -0.735 0.000 2.698 196 G HA2 0.701 4.661 3.960 -0.000 0.000 0.293 196 G HA3 0.701 4.661 3.960 -0.000 0.000 0.293 196 G C -1.921 172.745 174.900 -0.390 0.000 1.437 196 G CA -0.858 43.872 45.100 -0.618 0.000 0.852 196 G HN 0.803 nan 8.290 nan 0.000 0.499 197 L N -1.644 119.514 121.223 -0.109 0.000 2.582 197 L HA 0.973 5.313 4.340 -0.000 0.000 0.257 197 L C -1.071 175.824 176.870 0.043 0.000 0.974 197 L CA -1.364 53.453 54.840 -0.039 0.000 0.851 197 L CB 1.165 43.172 42.059 -0.088 0.000 1.424 197 L HN 1.488 nan 8.230 nan 0.000 0.412 198 A N 2.271 125.134 122.820 0.071 0.000 2.359 198 A HA 0.881 5.201 4.320 -0.000 0.000 0.303 198 A C -0.713 176.860 177.584 -0.018 0.000 1.066 198 A CA -0.633 51.457 52.037 0.090 0.000 0.730 198 A CB 1.581 20.779 19.000 0.331 0.000 1.211 198 A HN 0.906 nan 8.150 nan 0.000 0.439 199 R N 1.377 121.758 120.500 -0.199 0.000 2.574 199 R HA 0.672 5.012 4.340 -0.000 0.000 0.288 199 R C -1.324 174.893 176.300 -0.138 0.000 1.004 199 R CA -0.060 55.974 56.100 -0.110 0.000 0.895 199 R CB 1.892 32.124 30.300 -0.114 0.000 1.191 199 R HN 0.762 nan 8.270 nan 0.000 0.444 200 S N 2.321 118.030 115.700 0.016 0.000 2.536 200 S HA 0.925 5.395 4.470 -0.000 0.000 0.287 200 S C -1.684 172.975 174.600 0.098 0.000 1.101 200 S CA -0.015 58.218 58.200 0.054 0.000 0.950 200 S CB 1.777 65.054 63.200 0.128 0.000 1.056 200 S HN 0.857 nan 8.310 nan 0.000 0.481 201 A N 3.650 126.508 122.820 0.064 0.000 2.586 201 A HA 0.627 4.947 4.320 -0.000 0.000 0.291 201 A C -1.575 176.035 177.584 0.042 0.000 1.062 201 A CA -0.933 51.137 52.037 0.056 0.000 0.666 201 A CB 0.888 19.891 19.000 0.006 0.000 1.281 201 A HN 0.707 nan 8.150 nan 0.000 0.421 202 N N 0.495 119.217 118.700 0.037 0.000 2.509 202 N HA 0.601 5.341 4.740 -0.000 0.000 0.287 202 N C 0.235 175.754 175.510 0.014 0.000 1.121 202 N CA 0.352 53.420 53.050 0.030 0.000 0.977 202 N CB 1.828 40.331 38.487 0.027 0.000 1.167 202 N HN 0.971 nan 8.380 nan 0.000 0.476 203 A N 0.754 123.586 122.820 0.020 0.000 2.313 203 A HA 0.077 4.397 4.320 -0.000 0.000 0.261 203 A C 1.387 178.967 177.584 -0.007 0.000 1.090 203 A CA -0.254 51.796 52.037 0.020 0.000 0.807 203 A CB 0.324 19.358 19.000 0.057 0.000 1.055 203 A HN 0.808 nan 8.150 nan 0.000 0.492 204 Q N -0.039 119.751 119.800 -0.017 0.000 2.096 204 Q HA -0.176 4.164 4.340 -0.000 0.000 0.204 204 Q C 0.331 176.280 176.000 -0.084 0.000 0.982 204 Q CA 1.543 57.318 55.803 -0.048 0.000 0.850 204 Q CB -0.150 28.560 28.738 -0.046 0.000 0.901 204 Q HN 0.794 nan 8.270 nan 0.000 0.422 205 Q N 1.730 121.456 119.800 -0.124 0.000 2.286 205 Q HA 0.196 4.536 4.340 -0.000 0.000 0.257 205 Q C -0.848 175.091 176.000 -0.101 0.000 0.941 205 Q CA -0.091 55.605 55.803 -0.179 0.000 0.912 205 Q CB 0.757 29.245 28.738 -0.417 0.000 1.192 205 Q HN 0.077 nan 8.270 nan 0.000 0.410 206 K N 0.662 121.005 120.400 -0.094 0.000 2.524 206 K HA 0.101 4.421 4.320 -0.000 0.000 0.279 206 K C 0.960 177.537 176.600 -0.037 0.000 0.993 206 K CA 1.106 57.357 56.287 -0.059 0.000 1.030 206 K CB -0.048 32.411 32.500 -0.067 0.000 0.891 206 K HN 0.997 nan 8.250 nan 0.000 0.488 207 G N 1.539 110.336 108.800 -0.006 0.000 2.284 207 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.247 207 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.247 207 G C 0.127 175.056 174.900 0.049 0.000 1.012 207 G CA 0.169 45.281 45.100 0.020 0.000 0.618 207 G HN 0.548 nan 8.290 nan 0.000 0.521 208 S N 1.331 117.065 115.700 0.056 0.000 2.585 208 S HA 0.607 5.077 4.470 -0.000 0.000 0.277 208 S C 0.008 174.645 174.600 0.062 0.000 1.241 208 S CA 0.115 58.367 58.200 0.087 0.000 1.041 208 S CB 1.414 64.702 63.200 0.147 0.000 0.987 208 S HN 0.757 nan 8.310 nan 0.000 0.512 209 E N 1.271 121.508 120.200 0.061 0.000 2.392 209 E HA 0.656 5.005 4.350 -0.000 0.000 0.269 209 E C -1.518 175.100 176.600 0.029 0.000 0.924 209 E CA -1.066 55.361 56.400 0.045 0.000 0.784 209 E CB 1.610 31.340 29.700 0.050 0.000 1.292 209 E HN 0.426 nan 8.360 nan 0.000 0.447 210 E N 0.598 120.805 120.200 0.012 0.000 2.234 210 E HA 0.301 4.651 4.350 -0.000 0.000 0.266 210 E C -1.262 175.314 176.600 -0.040 0.000 0.877 210 E CA -0.627 55.760 56.400 -0.022 0.000 0.758 210 E CB 2.265 31.944 29.700 -0.035 0.000 1.170 210 E HN 0.324 nan 8.360 nan 0.000 0.415 211 Q N 2.112 121.868 119.800 -0.074 0.000 2.315 211 Q HA 0.512 4.852 4.340 -0.000 0.000 0.273 211 Q C -1.193 174.638 176.000 -0.282 0.000 1.053 211 Q CA -0.743 54.960 55.803 -0.167 0.000 0.817 211 Q CB 3.236 31.958 28.738 -0.027 0.000 1.326 211 Q HN 0.320 nan 8.270 nan 0.000 0.423 212 R N 2.005 122.170 120.500 -0.558 0.000 2.584 212 R HA 0.515 4.855 4.340 -0.000 0.000 0.276 212 R C -1.996 173.848 176.300 -0.760 0.000 1.046 212 R CA -0.402 55.422 56.100 -0.459 0.000 0.906 212 R CB 1.368 31.537 30.300 -0.217 0.000 1.215 212 R HN 0.609 nan 8.270 nan 0.000 0.449 213 Y N 1.914 122.221 120.300 0.012 0.000 2.329 213 Y HA 0.694 5.244 4.550 -0.000 0.000 0.328 213 Y C -0.313 175.572 175.900 -0.025 0.000 0.992 213 Y CA -0.612 57.495 58.100 0.011 0.000 1.151 213 Y CB 2.438 40.913 38.460 0.025 0.000 1.150 213 Y HN 0.732 nan 8.280 nan 0.000 0.450 214 A N 3.085 125.932 122.820 0.046 0.000 2.475 214 A HA 0.887 5.207 4.320 -0.000 0.000 0.301 214 A C -1.973 175.562 177.584 -0.082 0.000 1.059 214 A CA -0.717 51.257 52.037 -0.106 0.000 0.710 214 A CB 1.725 20.617 19.000 -0.179 0.000 1.288 214 A HN 0.613 nan 8.150 nan 0.000 0.408 215 I N 0.476 120.970 120.570 -0.126 0.000 2.722 215 I HA 0.728 4.897 4.170 -0.000 0.000 0.295 215 I C -0.430 175.697 176.117 0.017 0.000 1.161 215 I CA -0.341 60.959 61.300 0.000 0.000 1.032 215 I CB 2.123 40.197 38.000 0.124 0.000 1.244 215 I HN 1.038 nan 8.210 nan 0.000 0.421 216 A N 8.041 130.911 122.820 0.083 0.000 2.646 216 A HA 0.806 5.126 4.320 -0.000 0.000 0.312 216 A C -2.847 174.822 177.584 0.141 0.000 1.245 216 A CA -1.275 50.850 52.037 0.147 0.000 0.755 216 A CB 0.089 19.196 19.000 0.179 0.000 1.132 216 A HN 0.436 nan 8.150 nan 0.000 0.458 217 P HA 0.559 nan 4.420 nan 0.000 0.279 217 P C -0.265 176.994 177.300 -0.068 0.000 1.239 217 P CA 0.047 63.220 63.100 0.122 0.000 0.789 217 P CB 1.705 33.626 31.700 0.368 0.000 0.933 218 A N 2.498 125.045 122.820 -0.455 0.000 2.572 218 A HA 0.853 5.173 4.320 -0.000 0.000 0.295 218 A C -1.743 175.360 177.584 -0.802 0.000 1.072 218 A CA -0.383 51.422 52.037 -0.386 0.000 0.691 218 A CB 1.015 19.935 19.000 -0.134 0.000 1.291 218 A HN 0.334 nan 8.150 nan 0.000 0.404 219 F N -0.248 119.965 119.950 0.437 0.000 2.608 219 F HA 0.626 5.153 4.527 -0.000 0.000 0.309 219 F C 0.145 176.175 175.800 0.383 0.000 1.103 219 F CA -0.404 57.847 58.000 0.419 0.000 0.954 219 F CB 2.726 41.984 39.000 0.430 0.000 1.267 219 F HN 0.387 nan 8.300 nan 0.000 0.444 220 T N 1.635 116.489 114.554 0.499 0.000 2.812 220 T HA 0.269 4.619 4.350 -0.000 0.000 0.282 220 T C -1.888 173.098 174.700 0.476 0.000 0.990 220 T CA -0.410 61.931 62.100 0.402 0.000 0.960 220 T CB 0.902 69.906 68.868 0.228 0.000 0.948 220 T HN 0.529 nan 8.240 nan 0.000 0.438 221 W N 4.487 125.958 121.300 0.284 0.000 2.475 221 W HA 0.543 5.202 4.660 -0.000 0.000 0.317 221 W C -0.600 175.960 176.519 0.069 0.000 1.046 221 W CA -1.561 55.855 57.345 0.118 0.000 1.215 221 W CB 0.746 30.308 29.460 0.171 0.000 1.335 221 W HN 0.465 nan 8.180 nan 0.000 0.471 222 R N 7.851 128.152 120.500 -0.332 0.000 2.587 222 R HA 0.154 4.494 4.340 -0.000 0.000 0.283 222 R C -1.612 174.353 176.300 -0.559 0.000 1.472 222 R CA -1.418 54.432 56.100 -0.417 0.000 1.578 222 R CB 1.286 31.488 30.300 -0.165 0.000 1.130 222 R HN 0.327 nan 8.270 nan 0.000 0.602 223 P HA -0.198 nan 4.420 nan 0.000 0.218 223 P C -0.302 176.854 177.300 -0.240 0.000 1.148 223 P CA 1.510 64.300 63.100 -0.517 0.000 0.822 223 P CB 0.265 31.574 31.700 -0.653 0.000 0.784 224 D N -2.263 117.994 120.400 -0.238 0.000 2.664 224 D HA 0.107 4.747 4.640 -0.000 0.000 0.292 224 D C 0.187 176.417 176.300 -0.117 0.000 1.214 224 D CA -0.715 53.210 54.000 -0.125 0.000 0.932 224 D CB -0.101 40.651 40.800 -0.079 0.000 1.420 224 D HN -0.269 nan 8.370 nan 0.000 0.471 225 D N -0.794 119.557 120.400 -0.081 0.000 2.363 225 D HA -0.040 4.600 4.640 -0.000 0.000 0.226 225 D C 0.704 176.944 176.300 -0.099 0.000 1.020 225 D CA 0.409 54.363 54.000 -0.077 0.000 0.892 225 D CB 0.080 40.848 40.800 -0.052 0.000 0.900 225 D HN 0.174 nan 8.370 nan 0.000 0.531 226 K N -0.789 119.540 120.400 -0.119 0.000 2.374 226 K HA 0.242 4.562 4.320 -0.000 0.000 0.202 226 K C -0.564 175.920 176.600 -0.193 0.000 1.040 226 K CA 0.065 56.238 56.287 -0.191 0.000 1.085 226 K CB 1.293 33.639 32.500 -0.256 0.000 0.873 226 K HN -0.016 nan 8.250 nan 0.000 0.539 227 T N 0.331 114.813 114.554 -0.121 0.000 2.879 227 T HA 0.374 4.724 4.350 -0.000 0.000 0.290 227 T C -1.408 173.199 174.700 -0.156 0.000 0.993 227 T CA -0.881 61.157 62.100 -0.103 0.000 0.975 227 T CB 1.404 70.247 68.868 -0.042 0.000 0.981 227 T HN 0.003 nan 8.240 nan 0.000 0.439 228 N N 1.926 120.543 118.700 -0.139 0.000 2.410 228 N HA 0.537 5.277 4.740 -0.000 0.000 0.287 228 N C -1.913 173.699 175.510 0.170 0.000 1.044 228 N CA -0.735 52.291 53.050 -0.041 0.000 0.881 228 N CB 0.977 39.407 38.487 -0.095 0.000 1.405 228 N HN 0.558 nan 8.380 nan 0.000 0.490 229 F N 3.194 123.248 119.950 0.173 0.000 2.430 229 F HA 0.473 5.000 4.527 -0.000 0.000 0.362 229 F C -0.802 175.196 175.800 0.331 0.000 1.103 229 F CA -0.308 57.903 58.000 0.351 0.000 1.045 229 F CB 1.244 40.484 39.000 0.400 0.000 1.276 229 F HN 0.288 nan 8.300 nan 0.000 0.444 230 T N 7.380 121.830 114.554 -0.174 0.000 2.756 230 T HA 0.254 4.604 4.350 -0.000 0.000 0.290 230 T C -0.850 173.786 174.700 -0.108 0.000 0.985 230 T CA -0.201 61.880 62.100 -0.033 0.000 0.955 230 T CB 0.198 69.062 68.868 -0.007 0.000 0.930 230 T HN 0.419 nan 8.240 nan 0.000 0.451 231 F N 4.933 124.904 119.950 0.034 0.000 2.412 231 F HA 0.639 5.166 4.527 -0.000 0.000 0.348 231 F C -0.973 174.925 175.800 0.164 0.000 1.102 231 F CA -1.063 57.049 58.000 0.187 0.000 1.196 231 F CB 0.391 39.712 39.000 0.535 0.000 1.144 231 F HN 0.377 nan 8.300 nan 0.000 0.541 232 L N 5.838 126.652 121.223 -0.682 0.000 2.438 232 L HA 0.539 4.878 4.340 -0.000 0.000 0.270 232 L C -0.910 175.572 176.870 -0.647 0.000 0.972 232 L CA -0.566 53.979 54.840 -0.493 0.000 0.831 232 L CB 2.116 44.022 42.059 -0.254 0.000 1.273 232 L HN 0.756 nan 8.230 nan 0.000 0.405 233 S N 1.500 116.985 115.700 -0.357 0.000 2.595 233 S HA 0.779 5.249 4.470 -0.000 0.000 0.281 233 S C -1.483 173.066 174.600 -0.086 0.000 1.117 233 S CA -0.824 57.253 58.200 -0.204 0.000 0.873 233 S CB 2.455 65.762 63.200 0.179 0.000 1.108 233 S HN 0.513 nan 8.310 nan 0.000 0.477 234 Y N 0.743 120.698 120.300 -0.574 0.000 2.399 234 Y HA 0.656 5.206 4.550 -0.000 0.000 0.327 234 Y C -2.428 172.993 175.900 -0.798 0.000 1.111 234 Y CA -1.209 56.634 58.100 -0.428 0.000 1.047 234 Y CB 1.310 39.607 38.460 -0.270 0.000 1.259 234 Y HN 0.782 nan 8.280 nan 0.000 0.434 235 F N 4.879 124.619 119.950 -0.349 0.000 2.536 235 F HA 0.540 5.067 4.527 -0.000 0.000 0.322 235 F C -0.539 175.031 175.800 -0.385 0.000 1.144 235 F CA -0.606 57.263 58.000 -0.218 0.000 0.924 235 F CB 2.214 41.177 39.000 -0.061 0.000 1.181 235 F HN 0.463 nan 8.300 nan 0.000 0.438 236 Q N 2.798 122.533 119.800 -0.110 0.000 2.289 236 Q HA 0.461 4.801 4.340 -0.000 0.000 0.270 236 Q C -1.966 174.071 176.000 0.062 0.000 1.038 236 Q CA -0.835 54.922 55.803 -0.077 0.000 0.812 236 Q CB 2.363 31.040 28.738 -0.101 0.000 1.300 236 Q HN 0.705 nan 8.270 nan 0.000 0.427 237 N N 2.211 120.977 118.700 0.110 0.000 2.346 237 N HA 0.278 5.017 4.740 -0.000 0.000 0.289 237 N C -1.872 173.737 175.510 0.165 0.000 1.027 237 N CA -0.299 52.840 53.050 0.148 0.000 0.864 237 N CB 1.582 40.174 38.487 0.175 0.000 1.370 237 N HN 0.529 nan 8.380 nan 0.000 0.481 238 E N 3.968 124.230 120.200 0.104 0.000 2.437 238 E HA 0.238 4.588 4.350 -0.000 0.000 0.238 238 E C -1.983 174.665 176.600 0.080 0.000 0.969 238 E CA -1.713 54.723 56.400 0.061 0.000 0.759 238 E CB 1.845 31.542 29.700 -0.005 0.000 1.283 238 E HN 0.497 nan 8.360 nan 0.000 0.416 239 P HA -0.148 nan 4.420 nan 0.000 0.219 239 P C -0.292 177.051 177.300 0.072 0.000 1.146 239 P CA 1.241 64.405 63.100 0.105 0.000 0.808 239 P CB 0.379 32.167 31.700 0.147 0.000 0.779 240 E N -2.119 118.113 120.200 0.054 0.000 2.287 240 E HA 0.146 4.496 4.350 -0.000 0.000 0.274 240 E C 0.271 176.860 176.600 -0.018 0.000 0.896 240 E CA 0.002 56.423 56.400 0.036 0.000 0.788 240 E CB 1.378 31.105 29.700 0.045 0.000 1.244 240 E HN -0.023 nan 8.360 nan 0.000 0.408 241 T N -0.753 113.763 114.554 -0.064 0.000 3.065 241 T HA 0.409 4.759 4.350 -0.000 0.000 0.252 241 T C 0.969 175.560 174.700 -0.182 0.000 1.099 241 T CA 0.482 62.469 62.100 -0.187 0.000 1.063 241 T CB 0.354 68.988 68.868 -0.390 0.000 0.948 241 T HN 0.752 nan 8.240 nan 0.000 0.506 242 G N 0.883 109.631 108.800 -0.087 0.000 2.447 242 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.220 242 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.220 242 G C -0.957 173.984 174.900 0.068 0.000 1.261 242 G CA -0.555 44.545 45.100 -0.001 0.000 1.000 242 G HN 0.543 nan 8.290 nan 0.000 0.515 243 Y N 0.004 120.319 120.300 0.025 0.000 2.336 243 Y HA 0.602 5.152 4.550 -0.000 0.000 0.331 243 Y C 0.315 176.329 175.900 0.190 0.000 1.211 243 Y CA 0.219 58.385 58.100 0.110 0.000 1.346 243 Y CB 1.052 39.585 38.460 0.123 0.000 1.271 243 Y HN 0.921 nan 8.280 nan 0.000 0.538 244 Y N 4.683 124.571 120.300 -0.686 0.000 3.034 244 Y HA 0.395 4.944 4.550 -0.000 0.000 0.235 244 Y C -0.120 175.501 175.900 -0.465 0.000 0.928 244 Y CA -0.538 57.290 58.100 -0.453 0.000 1.130 244 Y CB 0.100 38.409 38.460 -0.252 0.000 1.239 244 Y HN 0.757 nan 8.280 nan 0.000 0.667 245 G N -0.118 108.037 108.800 -1.074 0.000 2.613 245 G HA2 0.442 4.402 3.960 -0.000 0.000 0.303 245 G HA3 0.442 4.402 3.960 -0.000 0.000 0.303 245 G C -1.440 173.680 174.900 0.368 0.000 1.312 245 G CA -0.449 44.447 45.100 -0.339 0.000 1.036 245 G HN 0.145 nan 8.290 nan 0.000 0.513 246 W N -0.764 120.691 121.300 0.259 0.000 2.632 246 W HA 0.681 5.341 4.660 -0.000 0.000 0.328 246 W C -1.147 175.471 176.519 0.165 0.000 1.044 246 W CA -1.060 56.411 57.345 0.210 0.000 1.225 246 W CB 1.559 31.158 29.460 0.231 0.000 1.396 246 W HN 0.130 nan 8.180 nan 0.000 0.499 247 L N 5.752 127.088 121.223 0.188 0.000 2.365 247 L HA 0.589 4.929 4.340 -0.000 0.000 0.273 247 L C -1.861 174.939 176.870 -0.116 0.000 1.000 247 L CA -2.393 52.498 54.840 0.085 0.000 0.819 247 L CB 1.857 43.941 42.059 0.041 0.000 1.284 247 L HN 0.064 nan 8.230 nan 0.000 0.418 248 P HA 0.144 nan 4.420 nan 0.000 0.274 248 P C -0.277 176.857 177.300 -0.276 0.000 1.246 248 P CA -0.480 62.522 63.100 -0.164 0.000 0.795 248 P CB 0.743 32.395 31.700 -0.079 0.000 1.006 249 K N 0.417 120.598 120.400 -0.365 0.000 2.211 249 K HA -0.097 4.222 4.320 -0.000 0.000 0.203 249 K C 0.023 176.426 176.600 -0.328 0.000 1.050 249 K CA 1.185 57.207 56.287 -0.441 0.000 0.945 249 K CB -0.421 31.598 32.500 -0.801 0.000 0.732 249 K HN 0.281 nan 8.250 nan 0.000 0.451 250 E N 0.822 120.869 120.200 -0.256 0.000 1.944 250 E HA 0.228 4.577 4.350 -0.000 0.000 0.272 250 E C 0.391 176.911 176.600 -0.133 0.000 1.195 250 E CA 0.620 56.919 56.400 -0.169 0.000 0.926 250 E CB 0.839 30.462 29.700 -0.128 0.000 1.051 250 E HN 0.519 nan 8.360 nan 0.000 0.404 251 G N 2.071 110.805 108.800 -0.110 0.000 2.296 251 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.188 251 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.188 251 G C 1.000 175.875 174.900 -0.042 0.000 1.000 251 G CA 0.307 45.367 45.100 -0.067 0.000 0.672 251 G HN 0.579 nan 8.290 nan 0.000 0.483 252 T N -1.928 112.509 114.554 -0.195 0.000 3.397 252 T HA 0.349 4.699 4.350 -0.000 0.000 0.233 252 T C 2.384 176.869 174.700 -0.358 0.000 0.969 252 T CA 2.386 64.210 62.100 -0.461 0.000 1.316 252 T CB -0.681 67.732 68.868 -0.758 0.000 1.175 252 T HN 1.157 nan 8.240 nan 0.000 0.381 253 V N 1.384 121.120 119.914 -0.297 0.000 2.379 253 V HA 0.177 4.297 4.120 -0.000 0.000 0.245 253 V C 0.823 176.870 176.094 -0.078 0.000 1.044 253 V CA 0.968 63.178 62.300 -0.151 0.000 1.036 253 V CB -1.175 30.600 31.823 -0.079 0.000 0.664 253 V HN 0.821 nan 8.190 nan 0.000 0.453 254 E N 2.221 122.355 120.200 -0.109 0.000 2.244 254 E HA 0.577 4.927 4.350 -0.000 0.000 0.266 254 E C -2.924 173.649 176.600 -0.044 0.000 0.914 254 E CA -2.891 53.471 56.400 -0.064 0.000 0.794 254 E CB 1.577 31.224 29.700 -0.089 0.000 1.210 254 E HN 0.232 nan 8.360 nan 0.000 0.414 255 P HA 0.041 nan 4.420 nan 0.000 0.272 255 P C -0.224 177.080 177.300 0.008 0.000 1.240 255 P CA -0.298 62.809 63.100 0.011 0.000 0.791 255 P CB 0.933 32.646 31.700 0.022 0.000 0.978 256 L N 2.547 123.791 121.223 0.035 0.000 2.475 256 L HA 0.151 4.491 4.340 -0.000 0.000 0.253 256 L C -0.525 176.403 176.870 0.097 0.000 1.198 256 L CA -1.690 53.190 54.840 0.066 0.000 0.814 256 L CB 0.018 42.158 42.059 0.136 0.000 1.134 256 L HN 0.330 nan 8.230 nan 0.000 0.478 257 P HA -0.184 nan 4.420 nan 0.000 0.220 257 P C 0.321 177.702 177.300 0.135 0.000 1.144 257 P CA 1.379 64.560 63.100 0.135 0.000 0.800 257 P CB -0.169 31.633 31.700 0.171 0.000 0.772 258 N N -0.960 117.838 118.700 0.164 0.000 2.314 258 N HA 0.055 4.794 4.740 -0.000 0.000 0.200 258 N C 1.260 176.762 175.510 -0.013 0.000 1.135 258 N CA 0.528 53.588 53.050 0.016 0.000 0.835 258 N CB -0.823 37.538 38.487 -0.211 0.000 0.989 258 N HN 0.172 nan 8.380 nan 0.000 0.478 259 G N 0.188 109.002 108.800 0.023 0.000 2.168 259 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.263 259 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.263 259 G C -0.163 174.741 174.900 0.006 0.000 0.977 259 G CA 0.540 45.646 45.100 0.010 0.000 0.659 259 G HN 0.514 nan 8.290 nan 0.000 0.533 260 K N -0.496 119.911 120.400 0.011 0.000 2.258 260 K HA 0.754 5.074 4.320 -0.000 0.000 0.236 260 K C 0.441 177.062 176.600 0.034 0.000 1.008 260 K CA -0.921 55.371 56.287 0.008 0.000 0.869 260 K CB 1.456 33.941 32.500 -0.024 0.000 1.171 260 K HN 0.142 nan 8.250 nan 0.000 0.447 261 R N 0.685 121.209 120.500 0.040 0.000 2.832 261 R HA 0.449 4.789 4.340 -0.000 0.000 0.271 261 R C -0.548 175.784 176.300 0.054 0.000 0.996 261 R CA -0.963 55.186 56.100 0.081 0.000 0.977 261 R CB 1.089 31.488 30.300 0.165 0.000 1.168 261 R HN 0.364 nan 8.270 nan 0.000 0.482 262 L N 3.762 125.035 121.223 0.083 0.000 2.349 262 L HA 0.290 4.630 4.340 -0.000 0.000 0.275 262 L C -1.751 175.152 176.870 0.054 0.000 1.115 262 L CA -1.858 52.963 54.840 -0.032 0.000 0.820 262 L CB 0.733 42.664 42.059 -0.213 0.000 1.135 262 L HN 0.298 nan 8.230 nan 0.000 0.445 263 P HA -0.028 nan 4.420 nan 0.000 0.268 263 P C 0.642 177.668 177.300 -0.457 0.000 1.208 263 P CA -0.192 62.790 63.100 -0.197 0.000 0.777 263 P CB 0.522 32.191 31.700 -0.053 0.000 0.875 264 T N -2.015 112.038 114.554 -0.835 0.000 2.881 264 T HA -0.182 4.168 4.350 -0.000 0.000 0.270 264 T C 0.883 175.326 174.700 -0.429 0.000 1.068 264 T CA 1.460 62.888 62.100 -1.120 0.000 1.131 264 T CB -0.866 67.495 68.868 -0.846 0.000 0.871 264 T HN 0.478 nan 8.240 nan 0.000 0.479 265 D N -0.215 120.045 120.400 -0.233 0.000 2.325 265 D HA 0.110 4.750 4.640 -0.000 0.000 0.225 265 D C 0.133 176.401 176.300 -0.052 0.000 1.096 265 D CA -0.975 52.948 54.000 -0.127 0.000 0.844 265 D CB -0.985 39.751 40.800 -0.107 0.000 0.925 265 D HN 0.417 nan 8.370 nan 0.000 0.513 266 F N 1.716 121.602 119.950 -0.106 0.000 2.563 266 F HA 0.263 4.790 4.527 -0.000 0.000 0.363 266 F C 0.343 176.114 175.800 -0.048 0.000 1.123 266 F CA 0.065 58.053 58.000 -0.020 0.000 1.307 266 F CB 0.550 39.599 39.000 0.082 0.000 1.115 266 F HN -0.150 nan 8.300 nan 0.000 0.592 267 N N 3.563 121.858 118.700 -0.675 0.000 2.480 267 N HA 0.156 4.896 4.740 -0.000 0.000 0.289 267 N C -0.510 174.751 175.510 -0.417 0.000 1.073 267 N CA -0.542 52.310 53.050 -0.330 0.000 0.885 267 N CB 1.317 39.688 38.487 -0.195 0.000 1.421 267 N HN 0.575 nan 8.380 nan 0.000 0.503 268 E N 0.842 121.061 120.200 0.031 0.000 2.474 268 E HA 0.265 4.615 4.350 -0.000 0.000 0.195 268 E C 1.110 177.775 176.600 0.109 0.000 1.039 268 E CA -0.510 55.956 56.400 0.109 0.000 0.881 268 E CB -0.053 29.858 29.700 0.351 0.000 0.970 268 E HN 0.496 nan 8.360 nan 0.000 0.486 269 G N 0.591 109.475 108.800 0.140 0.000 2.580 269 G HA2 0.505 4.465 3.960 -0.000 0.000 0.278 269 G HA3 0.505 4.465 3.960 -0.000 0.000 0.278 269 G C -0.057 174.890 174.900 0.078 0.000 1.212 269 G CA -0.455 44.721 45.100 0.126 0.000 0.939 269 G HN 0.322 nan 8.290 nan 0.000 0.513 270 A N -0.365 122.510 122.820 0.093 0.000 2.406 270 A HA 0.339 4.659 4.320 -0.000 0.000 0.243 270 A C 1.538 179.201 177.584 0.132 0.000 1.082 270 A CA 0.109 52.210 52.037 0.106 0.000 0.786 270 A CB 0.394 19.496 19.000 0.170 0.000 1.029 270 A HN 0.759 nan 8.150 nan 0.000 0.495 271 K N 0.222 120.687 120.400 0.109 0.000 2.288 271 K HA -0.101 4.219 4.320 -0.000 0.000 0.201 271 K C 0.589 177.261 176.600 0.120 0.000 1.048 271 K CA 1.405 57.746 56.287 0.091 0.000 0.956 271 K CB -0.062 32.475 32.500 0.062 0.000 0.746 271 K HN 0.834 nan 8.250 nan 0.000 0.461 272 N N 0.341 119.149 118.700 0.180 0.000 2.321 272 N HA -0.011 4.729 4.740 -0.000 0.000 0.242 272 N C -0.735 174.918 175.510 0.238 0.000 1.141 272 N CA -0.301 52.868 53.050 0.197 0.000 0.864 272 N CB -0.227 38.389 38.487 0.215 0.000 1.100 272 N HN -0.065 nan 8.380 nan 0.000 0.510 273 N N 0.533 119.366 118.700 0.222 0.000 2.453 273 N HA 0.154 4.893 4.740 -0.000 0.000 0.253 273 N C -0.608 174.938 175.510 0.061 0.000 1.252 273 N CA 0.573 53.721 53.050 0.163 0.000 0.917 273 N CB 0.996 39.596 38.487 0.188 0.000 1.117 273 N HN 0.249 nan 8.380 nan 0.000 0.442 274 T N 1.010 115.546 114.554 -0.029 0.000 2.982 274 T HA 0.435 4.785 4.350 -0.000 0.000 0.321 274 T C -2.113 172.577 174.700 -0.017 0.000 1.229 274 T CA -0.440 61.652 62.100 -0.013 0.000 1.044 274 T CB 0.264 69.095 68.868 -0.061 0.000 1.184 274 T HN 0.299 nan 8.240 nan 0.000 0.477 275 Y N 3.048 123.296 120.300 -0.087 0.000 2.330 275 Y HA 0.591 5.141 4.550 -0.000 0.000 0.324 275 Y C -0.391 175.450 175.900 -0.098 0.000 1.093 275 Y CA -0.709 57.321 58.100 -0.117 0.000 1.103 275 Y CB 1.748 40.129 38.460 -0.131 0.000 1.183 275 Y HN 0.799 nan 8.280 nan 0.000 0.433 276 S N 5.626 121.432 115.700 0.177 0.000 2.632 276 S HA 0.910 5.379 4.470 -0.000 0.000 0.289 276 S C -1.205 173.461 174.600 0.110 0.000 1.115 276 S CA -1.012 57.255 58.200 0.111 0.000 0.889 276 S CB 3.116 66.348 63.200 0.053 0.000 1.116 276 S HN 0.786 nan 8.310 nan 0.000 0.486 277 R N 0.929 121.474 120.500 0.074 0.000 2.668 277 R HA 0.502 4.842 4.340 -0.000 0.000 0.272 277 R C -2.074 174.266 176.300 0.068 0.000 1.019 277 R CA -0.501 55.641 56.100 0.070 0.000 0.894 277 R CB 1.659 31.985 30.300 0.042 0.000 1.228 277 R HN 0.840 nan 8.270 nan 0.000 0.460 278 N N 2.235 120.980 118.700 0.074 0.000 2.310 278 N HA 0.248 4.988 4.740 -0.000 0.000 0.292 278 N C -1.727 173.830 175.510 0.079 0.000 1.049 278 N CA -0.343 52.755 53.050 0.080 0.000 0.849 278 N CB 2.290 40.825 38.487 0.081 0.000 1.532 278 N HN 0.654 nan 8.380 nan 0.000 0.479 279 E N 2.142 122.394 120.200 0.085 0.000 2.224 279 E HA 0.386 4.736 4.350 -0.000 0.000 0.265 279 E C -1.070 175.560 176.600 0.049 0.000 0.878 279 E CA -0.633 55.811 56.400 0.073 0.000 0.759 279 E CB 2.303 32.077 29.700 0.123 0.000 1.164 279 E HN 0.305 nan 8.360 nan 0.000 0.414 280 K N 3.521 123.920 120.400 -0.001 0.000 2.463 280 K HA 0.564 4.884 4.320 -0.000 0.000 0.255 280 K C -0.895 175.589 176.600 -0.193 0.000 0.942 280 K CA -0.454 55.790 56.287 -0.072 0.000 0.814 280 K CB 1.832 34.427 32.500 0.159 0.000 1.122 280 K HN 0.382 nan 8.250 nan 0.000 0.425 281 M N 2.659 122.018 119.600 -0.401 0.000 2.386 281 M HA 0.381 4.861 4.480 -0.000 0.000 0.293 281 M C -0.896 175.271 176.300 -0.221 0.000 1.120 281 M CA -1.160 53.991 55.300 -0.248 0.000 0.909 281 M CB 2.568 35.052 32.600 -0.195 0.000 1.661 281 M HN 0.432 nan 8.290 nan 0.000 0.452 282 V N -0.458 119.454 119.914 -0.005 0.000 2.925 282 V HA 1.143 5.263 4.120 -0.000 0.000 0.311 282 V C -0.457 175.672 176.094 0.057 0.000 1.104 282 V CA -0.231 62.110 62.300 0.068 0.000 0.954 282 V CB 1.572 33.625 31.823 0.384 0.000 1.022 282 V HN 1.064 nan 8.190 nan 0.000 0.427 283 G N 1.837 110.596 108.800 -0.069 0.000 2.321 283 G HA2 0.664 4.624 3.960 -0.000 0.000 0.296 283 G HA3 0.664 4.624 3.960 -0.000 0.000 0.296 283 G C -1.749 173.120 174.900 -0.053 0.000 1.287 283 G CA 0.059 45.130 45.100 -0.048 0.000 0.846 283 G HN 2.215 nan 8.290 nan 0.000 0.508 284 Y N -2.342 117.915 120.300 -0.072 0.000 2.705 284 Y HA 0.874 5.424 4.550 -0.000 0.000 0.332 284 Y C -0.552 175.248 175.900 -0.166 0.000 1.221 284 Y CA -1.232 56.759 58.100 -0.181 0.000 1.059 284 Y CB 1.445 39.741 38.460 -0.274 0.000 1.298 284 Y HN 0.956 nan 8.280 nan 0.000 0.459 285 S N 1.394 117.132 115.700 0.063 0.000 2.614 285 S HA 0.708 5.178 4.470 -0.000 0.000 0.288 285 S C -2.161 172.505 174.600 0.111 0.000 1.137 285 S CA -0.463 57.748 58.200 0.018 0.000 0.992 285 S CB 0.466 63.585 63.200 -0.136 0.000 1.026 285 S HN 0.699 nan 8.310 nan 0.000 0.486 286 F N 4.349 124.329 119.950 0.049 0.000 2.556 286 F HA 0.725 5.252 4.527 -0.000 0.000 0.314 286 F C -1.236 174.569 175.800 0.009 0.000 1.106 286 F CA -0.787 57.252 58.000 0.064 0.000 0.911 286 F CB 1.712 40.852 39.000 0.235 0.000 1.190 286 F HN 0.670 nan 8.300 nan 0.000 0.448 287 D N 2.032 121.880 120.400 -0.920 0.000 2.753 287 D HA 0.442 5.081 4.640 -0.000 0.000 0.224 287 D C -1.992 173.776 176.300 -0.887 0.000 1.213 287 D CA -0.460 53.073 54.000 -0.778 0.000 0.833 287 D CB 1.704 42.236 40.800 -0.447 0.000 1.607 287 D HN 0.686 nan 8.370 nan 0.000 0.463 288 H N -0.627 118.015 119.070 -0.714 0.000 3.042 288 H HA 0.369 4.925 4.556 -0.000 0.000 0.345 288 H C -1.768 173.301 175.328 -0.431 0.000 1.052 288 H CA -0.665 55.033 56.048 -0.583 0.000 1.311 288 H CB 1.721 31.112 29.762 -0.618 0.000 1.810 288 H HN 0.492 nan 8.280 nan 0.000 0.505 289 E N 4.980 124.681 120.200 -0.832 0.000 2.134 289 E HA 0.154 4.504 4.350 -0.000 0.000 0.278 289 E C -0.215 175.954 176.600 -0.718 0.000 0.959 289 E CA -0.487 55.608 56.400 -0.509 0.000 0.783 289 E CB 0.605 30.145 29.700 -0.267 0.000 1.095 289 E HN 0.623 nan 8.360 nan 0.000 0.399 290 F N 3.464 123.275 119.950 -0.232 0.000 2.219 290 F HA 0.041 4.567 4.527 -0.000 0.000 0.294 290 F C 0.787 176.581 175.800 -0.009 0.000 1.086 290 F CA 0.491 58.454 58.000 -0.061 0.000 1.330 290 F CB -0.015 39.063 39.000 0.130 0.000 1.047 290 F HN 0.529 nan 8.300 nan 0.000 0.495 291 N N -2.938 115.901 118.700 0.232 0.000 3.387 291 N HA 0.058 4.798 4.740 -0.000 0.000 0.294 291 N C -0.603 174.957 175.510 0.085 0.000 1.519 291 N CA -0.522 52.608 53.050 0.133 0.000 0.875 291 N CB 0.003 38.592 38.487 0.170 0.000 1.657 291 N HN -0.282 nan 8.380 nan 0.000 0.527 292 D N -0.836 119.590 120.400 0.043 0.000 2.384 292 D HA -0.023 4.617 4.640 -0.000 0.000 0.222 292 D C 0.346 176.629 176.300 -0.029 0.000 0.976 292 D CA 1.282 55.286 54.000 0.007 0.000 0.915 292 D CB -0.098 40.703 40.800 0.001 0.000 0.896 292 D HN 0.571 nan 8.370 nan 0.000 0.523 293 T N -0.532 113.987 114.554 -0.057 0.000 3.045 293 T HA 0.090 4.439 4.350 -0.000 0.000 0.239 293 T C 0.490 174.909 174.700 -0.469 0.000 1.008 293 T CA 0.241 62.160 62.100 -0.302 0.000 1.143 293 T CB 0.392 68.970 68.868 -0.485 0.000 0.894 293 T HN -0.074 nan 8.240 nan 0.000 0.451 294 F N 1.181 121.206 119.950 0.125 0.000 2.508 294 F HA 0.639 5.166 4.527 -0.000 0.000 0.325 294 F C 0.121 176.107 175.800 0.309 0.000 1.090 294 F CA -0.860 57.241 58.000 0.169 0.000 0.945 294 F CB 2.116 41.133 39.000 0.027 0.000 1.156 294 F HN -0.270 nan 8.300 nan 0.000 0.463 295 T N 2.101 116.930 114.554 0.459 0.000 2.971 295 T HA 0.472 4.822 4.350 -0.000 0.000 0.304 295 T C -1.490 173.399 174.700 0.316 0.000 1.038 295 T CA -0.564 61.714 62.100 0.297 0.000 1.007 295 T CB 2.056 70.990 68.868 0.110 0.000 1.055 295 T HN 0.469 nan 8.240 nan 0.000 0.451 296 V N 3.719 123.795 119.914 0.270 0.000 2.547 296 V HA 0.841 4.961 4.120 -0.000 0.000 0.299 296 V C -0.603 175.521 176.094 0.049 0.000 1.040 296 V CA -0.689 61.762 62.300 0.251 0.000 0.913 296 V CB 1.653 33.718 31.823 0.404 0.000 0.992 296 V HN 0.827 nan 8.190 nan 0.000 0.449 297 R N 4.225 124.775 120.500 0.083 0.000 2.604 297 R HA 0.550 4.889 4.340 -0.000 0.000 0.281 297 R C -1.510 174.860 176.300 0.117 0.000 1.020 297 R CA -0.560 55.543 56.100 0.004 0.000 0.899 297 R CB 1.901 32.180 30.300 -0.035 0.000 1.205 297 R HN 0.836 nan 8.270 nan 0.000 0.450 298 Q N 3.086 122.991 119.800 0.175 0.000 2.289 298 Q HA 0.382 4.722 4.340 -0.000 0.000 0.270 298 Q C -1.697 174.391 176.000 0.146 0.000 1.038 298 Q CA -0.843 55.093 55.803 0.223 0.000 0.812 298 Q CB 1.911 30.887 28.738 0.397 0.000 1.300 298 Q HN 0.584 nan 8.270 nan 0.000 0.427 299 N N 3.459 122.147 118.700 -0.020 0.000 2.314 299 N HA 0.577 5.317 4.740 -0.000 0.000 0.294 299 N C -1.383 173.928 175.510 -0.331 0.000 1.029 299 N CA -0.446 52.506 53.050 -0.164 0.000 0.845 299 N CB 1.947 40.365 38.487 -0.115 0.000 1.321 299 N HN 0.552 nan 8.380 nan 0.000 0.481 300 L N -0.289 120.596 121.223 -0.564 0.000 2.466 300 L HA 0.742 5.082 4.340 -0.000 0.000 0.258 300 L C -0.935 175.686 176.870 -0.416 0.000 0.973 300 L CA -0.657 53.846 54.840 -0.562 0.000 0.826 300 L CB 2.146 43.824 42.059 -0.635 0.000 1.372 300 L HN 0.603 nan 8.230 nan 0.000 0.409 301 R N 2.593 122.928 120.500 -0.275 0.000 2.643 301 R HA 0.619 4.959 4.340 -0.000 0.000 0.269 301 R C -2.359 174.006 176.300 0.108 0.000 1.037 301 R CA -0.573 55.472 56.100 -0.091 0.000 0.894 301 R CB 1.872 32.090 30.300 -0.137 0.000 1.238 301 R HN 0.766 nan 8.270 nan 0.000 0.459 302 F N 2.575 122.585 119.950 0.099 0.000 2.518 302 F HA 0.762 5.289 4.527 -0.000 0.000 0.323 302 F C -1.492 174.372 175.800 0.106 0.000 1.129 302 F CA -0.440 57.692 58.000 0.219 0.000 0.920 302 F CB 1.995 41.177 39.000 0.303 0.000 1.160 302 F HN 0.645 nan 8.300 nan 0.000 0.440 303 A N 4.851 127.219 122.820 -0.754 0.000 2.386 303 A HA 0.657 4.977 4.320 -0.000 0.000 0.311 303 A C -1.361 175.788 177.584 -0.726 0.000 1.068 303 A CA -0.647 51.028 52.037 -0.603 0.000 0.743 303 A CB 1.371 20.201 19.000 -0.284 0.000 1.258 303 A HN 0.791 nan 8.150 nan 0.000 0.429 304 E N 2.227 122.162 120.200 -0.442 0.000 2.279 304 E HA 0.338 4.688 4.350 -0.000 0.000 0.252 304 E C -1.266 175.291 176.600 -0.072 0.000 0.894 304 E CA -0.586 55.681 56.400 -0.221 0.000 0.785 304 E CB 0.585 30.232 29.700 -0.089 0.000 1.237 304 E HN 0.720 nan 8.360 nan 0.000 0.418 305 N N 3.488 122.166 118.700 -0.037 0.000 2.319 305 N HA 0.468 5.208 4.740 -0.000 0.000 0.305 305 N C -1.033 174.508 175.510 0.051 0.000 1.103 305 N CA -0.610 52.450 53.050 0.016 0.000 0.815 305 N CB 1.882 40.379 38.487 0.017 0.000 1.288 305 N HN 0.353 nan 8.380 nan 0.000 0.493 306 K N -0.103 120.338 120.400 0.068 0.000 2.469 306 K HA 0.608 4.928 4.320 -0.000 0.000 0.254 306 K C -0.961 175.691 176.600 0.087 0.000 0.939 306 K CA -0.720 55.614 56.287 0.078 0.000 0.812 306 K CB 2.584 35.125 32.500 0.068 0.000 1.301 306 K HN 0.449 nan 8.250 nan 0.000 0.433 307 T N -0.011 114.597 114.554 0.090 0.000 2.982 307 T HA 0.501 4.850 4.350 -0.000 0.000 0.321 307 T C -1.569 173.137 174.700 0.010 0.000 1.229 307 T CA -0.433 61.716 62.100 0.082 0.000 1.044 307 T CB 1.458 70.421 68.868 0.159 0.000 1.184 307 T HN 0.424 nan 8.240 nan 0.000 0.477 308 S N 2.456 118.118 115.700 -0.064 0.000 2.549 308 S HA 0.773 5.243 4.470 -0.000 0.000 0.280 308 S C -1.572 172.826 174.600 -0.336 0.000 1.109 308 S CA -0.844 57.261 58.200 -0.159 0.000 0.905 308 S CB 1.883 65.027 63.200 -0.093 0.000 1.081 308 S HN 0.925 nan 8.310 nan 0.000 0.477 309 Q N 1.099 120.628 119.800 -0.452 0.000 2.472 309 Q HA 0.512 4.852 4.340 -0.000 0.000 0.281 309 Q C -1.961 173.744 176.000 -0.492 0.000 0.997 309 Q CA -0.943 54.495 55.803 -0.609 0.000 0.828 309 Q CB 1.426 29.431 28.738 -1.223 0.000 1.443 309 Q HN 0.593 nan 8.270 nan 0.000 0.390 310 N N 0.726 119.114 118.700 -0.519 0.000 2.576 310 N HA 0.403 5.143 4.740 -0.000 0.000 0.269 310 N C -1.728 173.468 175.510 -0.524 0.000 1.058 310 N CA -0.363 52.179 53.050 -0.847 0.000 0.860 310 N CB 1.865 39.567 38.487 -1.309 0.000 1.249 310 N HN 0.483 nan 8.380 nan 0.000 0.525 311 S N 1.362 116.984 115.700 -0.130 0.000 2.707 311 S HA 0.309 4.779 4.470 -0.000 0.000 0.303 311 S C -0.226 174.582 174.600 0.348 0.000 1.132 311 S CA -0.578 57.703 58.200 0.135 0.000 1.046 311 S CB 1.935 65.158 63.200 0.038 0.000 1.004 311 S HN 0.109 nan 8.310 nan 0.000 0.483 312 V N 5.133 125.226 119.914 0.299 0.000 2.432 312 V HA 0.505 4.625 4.120 -0.000 0.000 0.275 312 V C -0.717 175.443 176.094 0.110 0.000 1.043 312 V CA -0.348 61.984 62.300 0.053 0.000 0.925 312 V CB 0.192 31.893 31.823 -0.203 0.000 0.985 312 V HN 0.842 nan 8.190 nan 0.000 0.466 313 Y N 2.682 122.951 120.300 -0.051 0.000 2.576 313 Y HA 0.898 5.448 4.550 -0.000 0.000 0.346 313 Y C 0.354 176.264 175.900 0.016 0.000 1.018 313 Y CA -1.343 56.714 58.100 -0.073 0.000 1.050 313 Y CB 1.080 39.355 38.460 -0.308 0.000 1.280 313 Y HN 0.661 nan 8.280 nan 0.000 0.474 314 G N 0.018 108.929 108.800 0.186 0.000 2.599 314 G HA2 0.263 4.223 3.960 -0.000 0.000 0.264 314 G HA3 0.263 4.223 3.960 -0.000 0.000 0.264 314 G C -1.519 173.590 174.900 0.348 0.000 1.200 314 G CA -0.360 44.866 45.100 0.211 0.000 0.896 314 G HN 0.821 nan 8.290 nan 0.000 0.536 315 Y N -0.130 120.278 120.300 0.180 0.000 2.768 315 Y HA 0.425 4.975 4.550 -0.000 0.000 0.249 315 Y C 0.851 176.834 175.900 0.139 0.000 1.146 315 Y CA 0.577 58.814 58.100 0.230 0.000 1.171 315 Y CB 0.388 38.857 38.460 0.016 0.000 1.249 315 Y HN 1.277 nan 8.280 nan 0.000 0.567 316 G N 0.480 109.407 108.800 0.211 0.000 2.699 316 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.686 316 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.686 316 G C -0.515 174.441 174.900 0.093 0.000 1.301 316 G CA -0.729 44.454 45.100 0.137 0.000 0.816 316 G HN 0.782 nan 8.290 nan 0.000 0.595 317 V N -1.357 118.582 119.914 0.041 0.000 3.287 317 V HA 0.345 4.465 4.120 -0.000 0.000 0.306 317 V C 1.948 178.055 176.094 0.023 0.000 1.103 317 V CA 0.487 62.799 62.300 0.019 0.000 1.159 317 V CB 0.694 32.503 31.823 -0.023 0.000 1.036 317 V HN 1.422 nan 8.190 nan 0.000 0.487 318 c N 1.834 120.440 118.600 0.010 0.000 2.419 318 c HA -0.061 4.509 4.570 -0.000 0.000 0.283 318 c C 2.919 176.997 174.090 -0.019 0.000 1.373 318 c CA 1.427 57.749 56.329 -0.011 0.000 1.781 318 c CB -1.589 40.896 42.510 -0.043 0.000 1.886 318 c HN 1.144 nan 8.230 nan 0.000 0.520 319 S N -0.622 115.066 115.700 -0.020 0.000 2.562 319 S HA -0.035 4.435 4.470 -0.000 0.000 0.221 319 S C 0.298 174.898 174.600 -0.000 0.000 0.975 319 S CA 0.264 58.454 58.200 -0.016 0.000 0.918 319 S CB -0.356 62.830 63.200 -0.023 0.000 0.772 319 S HN 0.666 nan 8.310 nan 0.000 0.531 320 D N 2.764 123.170 120.400 0.011 0.000 2.351 320 D HA 0.207 4.847 4.640 -0.000 0.000 0.251 320 D C -1.697 174.635 176.300 0.053 0.000 1.137 320 D CA -1.926 52.094 54.000 0.033 0.000 0.879 320 D CB 1.556 42.388 40.800 0.053 0.000 1.181 320 D HN -0.037 nan 8.370 nan 0.000 0.448 321 P HA -0.195 nan 4.420 nan 0.000 0.218 321 P C 0.944 178.301 177.300 0.094 0.000 1.152 321 P CA 1.710 64.858 63.100 0.080 0.000 0.857 321 P CB 0.144 31.899 31.700 0.092 0.000 0.787 322 A N -0.787 122.093 122.820 0.101 0.000 2.024 322 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 322 A C 1.399 179.035 177.584 0.087 0.000 1.164 322 A CA 1.844 53.936 52.037 0.092 0.000 0.643 322 A CB -1.411 17.561 19.000 -0.046 0.000 0.806 322 A HN 0.304 nan 8.150 nan 0.000 0.451 323 N N -0.622 118.119 118.700 0.069 0.000 2.380 323 N HA 0.475 5.215 4.740 -0.000 0.000 0.255 323 N C 1.097 176.627 175.510 0.034 0.000 1.158 323 N CA 0.403 53.478 53.050 0.042 0.000 0.878 323 N CB 0.496 39.002 38.487 0.032 0.000 1.138 323 N HN 0.391 nan 8.380 nan 0.000 0.509 324 A N 0.384 123.246 122.820 0.070 0.000 1.870 324 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 324 A C 0.467 178.125 177.584 0.123 0.000 1.224 324 A CA 1.435 53.531 52.037 0.099 0.000 0.650 324 A CB -0.580 18.499 19.000 0.132 0.000 0.836 324 A HN 0.476 nan 8.150 nan 0.000 0.454 325 Y N 0.302 120.607 120.300 0.008 0.000 2.960 325 Y HA 0.495 5.045 4.550 -0.000 0.000 0.343 325 Y C 0.334 176.231 175.900 -0.005 0.000 1.106 325 Y CA -0.387 57.714 58.100 0.002 0.000 1.221 325 Y CB 0.640 39.104 38.460 0.006 0.000 1.232 325 Y HN 0.162 nan 8.280 nan 0.000 0.577 326 S N 3.301 118.898 115.700 -0.171 0.000 2.498 326 S HA 0.283 4.752 4.470 -0.000 0.000 0.324 326 S C 0.861 175.331 174.600 -0.217 0.000 1.071 326 S CA -0.720 57.404 58.200 -0.126 0.000 1.113 326 S CB 0.592 63.744 63.200 -0.080 0.000 0.976 326 S HN 0.749 nan 8.310 nan 0.000 0.462 327 K N 3.047 123.342 120.400 -0.175 0.000 2.218 327 K HA -0.171 4.149 4.320 -0.000 0.000 0.205 327 K C 1.819 178.337 176.600 -0.137 0.000 1.046 327 K CA 1.560 57.744 56.287 -0.172 0.000 0.933 327 K CB 0.019 32.476 32.500 -0.072 0.000 0.728 327 K HN 0.678 nan 8.250 nan 0.000 0.454 328 Q N -0.279 119.458 119.800 -0.107 0.000 2.137 328 Q HA -0.066 4.273 4.340 -0.000 0.000 0.198 328 Q C 2.247 178.160 176.000 -0.144 0.000 0.960 328 Q CA 0.981 56.723 55.803 -0.102 0.000 0.847 328 Q CB 0.052 28.752 28.738 -0.065 0.000 0.915 328 Q HN 0.343 nan 8.270 nan 0.000 0.448 329 c N 0.197 118.712 118.600 -0.142 0.000 2.450 329 c HA 0.026 4.595 4.570 -0.000 0.000 0.279 329 c C 2.760 176.746 174.090 -0.174 0.000 1.335 329 c CA 0.640 56.877 56.329 -0.154 0.000 1.749 329 c CB -0.873 41.570 42.510 -0.111 0.000 1.963 329 c HN 0.588 nan 8.230 nan 0.000 0.501 330 A N 0.427 123.132 122.820 -0.192 0.000 1.930 330 A HA 0.178 4.497 4.320 -0.000 0.000 0.217 330 A C 1.990 179.482 177.584 -0.153 0.000 1.175 330 A CA 1.577 53.498 52.037 -0.192 0.000 0.627 330 A CB -0.632 18.202 19.000 -0.278 0.000 0.815 330 A HN 0.565 nan 8.150 nan 0.000 0.443 331 A N -0.478 122.251 122.820 -0.152 0.000 2.426 331 A HA 0.535 4.855 4.320 -0.000 0.000 0.247 331 A C 0.183 177.673 177.584 -0.156 0.000 1.389 331 A CA 0.092 52.052 52.037 -0.128 0.000 1.129 331 A CB -0.782 18.152 19.000 -0.110 0.000 0.928 331 A HN 0.397 nan 8.150 nan 0.000 0.557 332 L N -0.474 120.645 121.223 -0.173 0.000 2.401 332 L HA 0.603 4.943 4.340 -0.000 0.000 0.266 332 L C 0.463 177.249 176.870 -0.140 0.000 0.991 332 L CA -0.972 53.741 54.840 -0.213 0.000 0.818 332 L CB 1.982 43.841 42.059 -0.334 0.000 1.321 332 L HN 0.224 nan 8.230 nan 0.000 0.413 333 A N 3.305 126.060 122.820 -0.108 0.000 2.548 333 A HA 0.222 4.541 4.320 -0.000 0.000 0.247 333 A C -1.729 175.822 177.584 -0.055 0.000 1.067 333 A CA -0.699 51.306 52.037 -0.053 0.000 0.757 333 A CB -0.201 18.791 19.000 -0.013 0.000 0.996 333 A HN 0.635 nan 8.150 nan 0.000 0.504 334 P HA -0.253 nan 4.420 nan 0.000 0.217 334 P C 1.540 178.831 177.300 -0.016 0.000 1.148 334 P CA 2.292 65.373 63.100 -0.031 0.000 0.834 334 P CB 0.198 31.889 31.700 -0.015 0.000 0.783 335 A N -0.677 122.149 122.820 0.009 0.000 2.014 335 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 335 A C 1.792 179.411 177.584 0.058 0.000 1.163 335 A CA 1.676 53.741 52.037 0.047 0.000 0.652 335 A CB -1.004 18.040 19.000 0.073 0.000 0.808 335 A HN 0.088 nan 8.150 nan 0.000 0.449 336 D N -0.290 120.113 120.400 0.006 0.000 2.347 336 D HA 0.001 4.641 4.640 -0.000 0.000 0.213 336 D C 1.510 177.667 176.300 -0.238 0.000 0.985 336 D CA 0.621 54.566 54.000 -0.092 0.000 0.879 336 D CB -0.114 40.656 40.800 -0.051 0.000 0.919 336 D HN 0.451 nan 8.370 nan 0.000 0.526 337 K N 0.208 120.522 120.400 -0.143 0.000 2.442 337 K HA -0.000 4.320 4.320 -0.000 0.000 0.198 337 K C 1.800 178.339 176.600 -0.101 0.000 1.042 337 K CA 0.709 56.924 56.287 -0.120 0.000 0.958 337 K CB 0.085 32.534 32.500 -0.084 0.000 0.766 337 K HN 0.064 nan 8.250 nan 0.000 0.474 338 G N 0.588 109.324 108.800 -0.108 0.000 2.777 338 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.211 338 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.211 338 G C 0.801 175.650 174.900 -0.086 0.000 1.149 338 G CA 0.278 45.342 45.100 -0.061 0.000 0.785 338 G HN 0.510 nan 8.290 nan 0.000 0.536 339 H N -3.547 115.409 119.070 -0.190 0.000 2.916 339 H HA 0.433 4.989 4.556 -0.000 0.000 0.262 339 H C -0.787 174.297 175.328 -0.408 0.000 1.178 339 H CA -1.065 54.711 56.048 -0.454 0.000 1.090 339 H CB -0.318 28.730 29.762 -1.190 0.000 1.657 339 H HN 0.172 nan 8.280 nan 0.000 0.601 340 Y N 1.664 121.758 120.300 -0.342 0.000 2.331 340 Y HA 0.314 4.864 4.550 -0.000 0.000 0.338 340 Y C -0.311 175.532 175.900 -0.095 0.000 0.992 340 Y CA -1.202 56.783 58.100 -0.192 0.000 1.121 340 Y CB 1.788 40.112 38.460 -0.226 0.000 1.184 340 Y HN 0.229 nan 8.280 nan 0.000 0.469 341 L N 4.524 125.797 121.223 0.084 0.000 2.272 341 L HA 0.737 5.077 4.340 -0.000 0.000 0.289 341 L C -0.384 176.550 176.870 0.107 0.000 1.032 341 L CA -0.422 54.472 54.840 0.090 0.000 0.810 341 L CB 0.666 42.785 42.059 0.100 0.000 1.205 341 L HN 0.763 nan 8.230 nan 0.000 0.422 342 A N 6.732 129.611 122.820 0.097 0.000 2.351 342 A HA 0.701 5.021 4.320 -0.000 0.000 0.257 342 A C -0.109 177.518 177.584 0.071 0.000 1.087 342 A CA -0.364 51.718 52.037 0.074 0.000 0.798 342 A CB 0.578 19.620 19.000 0.070 0.000 1.033 342 A HN 0.907 nan 8.150 nan 0.000 0.488 343 R N 0.468 120.961 120.500 -0.012 0.000 2.799 343 R HA 0.624 4.964 4.340 -0.000 0.000 0.270 343 R C -1.065 175.087 176.300 -0.247 0.000 1.010 343 R CA -0.832 55.195 56.100 -0.121 0.000 0.916 343 R CB 2.440 32.668 30.300 -0.120 0.000 1.228 343 R HN 0.813 nan 8.270 nan 0.000 0.469 344 K N 0.368 120.463 120.400 -0.509 0.000 2.430 344 K HA 0.474 4.793 4.320 -0.000 0.000 0.268 344 K C -1.591 174.721 176.600 -0.480 0.000 1.043 344 K CA -0.919 55.076 56.287 -0.485 0.000 0.899 344 K CB 2.095 34.249 32.500 -0.576 0.000 1.472 344 K HN 0.531 nan 8.250 nan 0.000 0.451 345 Y N -2.706 117.420 120.300 -0.290 0.000 2.615 345 Y HA 0.782 5.332 4.550 -0.000 0.000 0.341 345 Y C -1.540 174.432 175.900 0.121 0.000 1.089 345 Y CA -1.280 56.792 58.100 -0.046 0.000 1.049 345 Y CB 1.480 39.883 38.460 -0.095 0.000 1.296 345 Y HN 0.257 nan 8.280 nan 0.000 0.470 346 V N 2.446 122.428 119.914 0.113 0.000 2.777 346 V HA 0.715 4.834 4.120 -0.000 0.000 0.306 346 V C -2.035 173.996 176.094 -0.105 0.000 1.112 346 V CA -0.638 61.483 62.300 -0.299 0.000 0.917 346 V CB 1.863 33.365 31.823 -0.535 0.000 1.018 346 V HN 0.850 nan 8.190 nan 0.000 0.426 347 V N 6.231 126.101 119.914 -0.072 0.000 2.350 347 V HA 0.537 4.657 4.120 -0.000 0.000 0.285 347 V C -0.418 175.623 176.094 -0.087 0.000 1.014 347 V CA -0.254 62.031 62.300 -0.024 0.000 0.831 347 V CB 1.460 33.387 31.823 0.173 0.000 1.000 347 V HN 1.038 nan 8.190 nan 0.000 0.433 348 D N 3.215 123.501 120.400 -0.190 0.000 2.350 348 D HA 0.642 5.281 4.640 -0.000 0.000 0.238 348 D C -1.334 174.928 176.300 -0.063 0.000 0.989 348 D CA -0.316 53.626 54.000 -0.098 0.000 0.921 348 D CB 2.114 42.785 40.800 -0.215 0.000 1.297 348 D HN 0.501 nan 8.370 nan 0.000 0.490 349 D N 1.526 121.954 120.400 0.046 0.000 2.333 349 D HA 0.185 4.825 4.640 -0.000 0.000 0.225 349 D C -1.412 174.947 176.300 0.100 0.000 1.345 349 D CA -0.326 53.700 54.000 0.043 0.000 0.971 349 D CB 0.748 41.569 40.800 0.036 0.000 1.451 349 D HN 0.460 nan 8.370 nan 0.000 0.561 350 E N 1.729 121.997 120.200 0.113 0.000 2.299 350 E HA 0.585 4.934 4.350 -0.000 0.000 0.265 350 E C -0.586 176.079 176.600 0.107 0.000 0.911 350 E CA -1.127 55.357 56.400 0.139 0.000 0.789 350 E CB 2.950 32.779 29.700 0.215 0.000 1.246 350 E HN 0.111 nan 8.360 nan 0.000 0.427 351 K N 2.110 122.570 120.400 0.099 0.000 2.535 351 K HA 0.464 4.783 4.320 -0.000 0.000 0.250 351 K C -1.911 174.737 176.600 0.080 0.000 0.948 351 K CA -0.524 55.813 56.287 0.083 0.000 0.796 351 K CB 1.464 34.009 32.500 0.075 0.000 1.216 351 K HN 0.544 nan 8.250 nan 0.000 0.432 352 L N 2.997 124.260 121.223 0.067 0.000 2.401 352 L HA 0.504 4.844 4.340 -0.000 0.000 0.266 352 L C -1.603 175.279 176.870 0.021 0.000 0.991 352 L CA -0.358 54.515 54.840 0.055 0.000 0.818 352 L CB 2.197 44.289 42.059 0.054 0.000 1.321 352 L HN 0.709 nan 8.230 nan 0.000 0.413 353 Q N 4.013 123.838 119.800 0.042 0.000 2.337 353 Q HA 0.418 4.758 4.340 -0.000 0.000 0.270 353 Q C -1.463 174.568 176.000 0.051 0.000 1.043 353 Q CA -0.608 55.210 55.803 0.024 0.000 0.794 353 Q CB 2.652 31.516 28.738 0.210 0.000 1.281 353 Q HN 0.629 nan 8.270 nan 0.000 0.446 354 N N 2.237 120.915 118.700 -0.037 0.000 2.295 354 N HA 0.479 5.218 4.740 -0.000 0.000 0.293 354 N C -1.958 173.691 175.510 0.232 0.000 1.040 354 N CA -0.285 52.806 53.050 0.069 0.000 0.840 354 N CB 1.248 39.715 38.487 -0.034 0.000 1.468 354 N HN 0.366 nan 8.380 nan 0.000 0.478 355 F N 2.392 122.444 119.950 0.169 0.000 2.518 355 F HA 0.537 5.064 4.527 -0.000 0.000 0.323 355 F C -1.105 174.762 175.800 0.111 0.000 1.129 355 F CA -0.351 57.793 58.000 0.239 0.000 0.920 355 F CB 1.533 40.727 39.000 0.324 0.000 1.160 355 F HN 0.222 nan 8.300 nan 0.000 0.440 356 S N 3.918 119.290 115.700 -0.545 0.000 2.549 356 S HA 0.879 5.349 4.470 -0.000 0.000 0.280 356 S C -1.511 172.586 174.600 -0.839 0.000 1.109 356 S CA -0.764 57.089 58.200 -0.579 0.000 0.905 356 S CB 2.173 65.194 63.200 -0.299 0.000 1.081 356 S HN 0.455 nan 8.310 nan 0.000 0.477 357 V N 1.862 121.208 119.914 -0.946 0.000 2.711 357 V HA 0.531 4.650 4.120 -0.000 0.000 0.304 357 V C -1.577 174.163 176.094 -0.590 0.000 1.097 357 V CA -0.680 61.127 62.300 -0.822 0.000 0.906 357 V CB 2.107 33.352 31.823 -0.963 0.000 1.015 357 V HN 0.891 nan 8.190 nan 0.000 0.427 358 D N 2.292 122.531 120.400 -0.268 0.000 2.593 358 D HA 0.635 5.275 4.640 -0.000 0.000 0.251 358 D C -0.726 175.583 176.300 0.016 0.000 1.140 358 D CA -0.012 53.947 54.000 -0.070 0.000 0.855 358 D CB 2.096 42.896 40.800 -0.000 0.000 1.267 358 D HN 0.556 nan 8.370 nan 0.000 0.532 359 T N 3.624 118.224 114.554 0.078 0.000 2.786 359 T HA 0.495 4.845 4.350 -0.000 0.000 0.283 359 T C -0.358 174.408 174.700 0.109 0.000 0.992 359 T CA -0.723 61.448 62.100 0.117 0.000 0.954 359 T CB 1.356 70.311 68.868 0.145 0.000 0.934 359 T HN 0.296 nan 8.240 nan 0.000 0.440 360 Q N 1.934 121.808 119.800 0.123 0.000 2.377 360 Q HA 0.683 5.023 4.340 -0.000 0.000 0.271 360 Q C -1.278 174.799 176.000 0.130 0.000 1.077 360 Q CA -0.898 54.970 55.803 0.109 0.000 0.820 360 Q CB 2.791 31.615 28.738 0.142 0.000 1.347 360 Q HN 0.459 nan 8.270 nan 0.000 0.444 361 L N 2.124 123.419 121.223 0.119 0.000 2.349 361 L HA 0.441 4.781 4.340 -0.000 0.000 0.278 361 L C -1.388 175.590 176.870 0.180 0.000 0.996 361 L CA -0.411 54.532 54.840 0.170 0.000 0.825 361 L CB 1.797 43.942 42.059 0.144 0.000 1.243 361 L HN 0.717 nan 8.230 nan 0.000 0.412 362 Q N 3.483 123.409 119.800 0.211 0.000 2.333 362 Q HA 0.457 4.797 4.340 -0.000 0.000 0.265 362 Q C -1.575 174.535 176.000 0.183 0.000 0.989 362 Q CA -0.493 55.415 55.803 0.176 0.000 0.842 362 Q CB 1.832 30.655 28.738 0.142 0.000 1.262 362 Q HN 0.675 nan 8.270 nan 0.000 0.451 363 S N 3.815 119.606 115.700 0.152 0.000 2.473 363 S HA 0.488 4.958 4.470 -0.000 0.000 0.307 363 S C -1.066 173.576 174.600 0.070 0.000 1.094 363 S CA -0.806 57.424 58.200 0.049 0.000 1.070 363 S CB 1.365 64.660 63.200 0.158 0.000 1.019 363 S HN 0.494 nan 8.310 nan 0.000 0.480 364 K N 2.743 123.125 120.400 -0.031 0.000 2.358 364 K HA 0.642 4.962 4.320 -0.000 0.000 0.260 364 K C -1.182 175.444 176.600 0.043 0.000 0.956 364 K CA -0.490 55.768 56.287 -0.049 0.000 0.834 364 K CB 1.099 33.562 32.500 -0.061 0.000 1.102 364 K HN 0.667 nan 8.250 nan 0.000 0.431 365 F N -0.465 119.467 119.950 -0.031 0.000 2.693 365 F HA 0.732 5.259 4.527 -0.000 0.000 0.309 365 F C -1.559 174.289 175.800 0.080 0.000 1.129 365 F CA -1.349 56.645 58.000 -0.011 0.000 0.948 365 F CB 0.976 39.954 39.000 -0.037 0.000 1.315 365 F HN 0.388 nan 8.300 nan 0.000 0.447 366 A N 0.778 123.720 122.820 0.203 0.000 2.340 366 A HA 0.797 5.117 4.320 -0.000 0.000 0.331 366 A C -0.498 177.234 177.584 0.248 0.000 1.140 366 A CA -0.316 51.789 52.037 0.113 0.000 0.801 366 A CB 1.103 20.123 19.000 0.034 0.000 1.234 366 A HN 1.278 nan 8.150 nan 0.000 0.469 367 T N -0.407 114.262 114.554 0.192 0.000 3.241 367 T HA 0.591 4.940 4.350 -0.000 0.000 0.387 367 T C 0.741 175.503 174.700 0.104 0.000 1.451 367 T CA 0.486 62.709 62.100 0.204 0.000 1.363 367 T CB 0.048 69.102 68.868 0.311 0.000 1.074 367 T HN 2.583 nan 8.240 nan 0.000 0.598 368 G N 3.850 112.700 108.800 0.083 0.000 2.588 368 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.273 368 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.273 368 G C 0.274 175.211 174.900 0.062 0.000 1.211 368 G CA 0.341 45.480 45.100 0.065 0.000 0.958 368 G HN 0.579 nan 8.290 nan 0.000 0.543 369 D N 1.018 121.474 120.400 0.093 0.000 2.360 369 D HA 0.209 4.849 4.640 -0.000 0.000 0.210 369 D C 1.155 177.530 176.300 0.124 0.000 1.047 369 D CA 0.327 54.409 54.000 0.135 0.000 0.854 369 D CB 0.376 41.345 40.800 0.282 0.000 0.936 369 D HN 0.504 nan 8.370 nan 0.000 0.514 370 I N 2.197 122.796 120.570 0.047 0.000 2.312 370 I HA 0.079 4.249 4.170 -0.000 0.000 0.291 370 I C 0.143 176.075 176.117 -0.309 0.000 1.031 370 I CA -0.326 60.913 61.300 -0.101 0.000 1.293 370 I CB 0.850 38.747 38.000 -0.172 0.000 1.403 370 I HN -0.373 nan 8.210 nan 0.000 0.484 371 D N 5.939 126.159 120.400 -0.299 0.000 2.210 371 D HA 0.326 4.966 4.640 -0.000 0.000 0.249 371 D C -0.197 175.808 176.300 -0.492 0.000 1.078 371 D CA -0.069 53.742 54.000 -0.314 0.000 0.875 371 D CB 1.292 41.985 40.800 -0.179 0.000 1.175 371 D HN 0.416 nan 8.370 nan 0.000 0.440 372 H N 0.265 119.110 119.070 -0.375 0.000 2.621 372 H HA 0.448 5.004 4.556 -0.000 0.000 0.360 372 H C -0.389 174.683 175.328 -0.427 0.000 1.163 372 H CA -0.373 55.373 56.048 -0.503 0.000 1.194 372 H CB 2.059 31.194 29.762 -1.045 0.000 1.649 372 H HN 0.150 nan 8.280 nan 0.000 0.532 373 T N 3.044 117.528 114.554 -0.118 0.000 3.038 373 T HA 0.167 4.516 4.350 -0.000 0.000 0.344 373 T C -0.623 174.075 174.700 -0.002 0.000 1.054 373 T CA -0.529 61.533 62.100 -0.062 0.000 1.092 373 T CB 0.397 69.246 68.868 -0.032 0.000 1.031 373 T HN 0.163 nan 8.240 nan 0.000 0.482 374 L N 4.584 125.831 121.223 0.040 0.000 2.275 374 L HA 0.780 5.120 4.340 -0.000 0.000 0.288 374 L C -1.135 175.814 176.870 0.130 0.000 1.046 374 L CA -0.765 54.144 54.840 0.116 0.000 0.805 374 L CB 1.051 43.258 42.059 0.246 0.000 1.193 374 L HN 0.514 nan 8.230 nan 0.000 0.426 375 L N 4.930 126.226 121.223 0.122 0.000 2.356 375 L HA 0.760 5.100 4.340 -0.000 0.000 0.277 375 L C -0.591 176.332 176.870 0.088 0.000 0.996 375 L CA 0.128 55.044 54.840 0.127 0.000 0.822 375 L CB 1.906 44.060 42.059 0.158 0.000 1.256 375 L HN 0.805 nan 8.230 nan 0.000 0.413 376 T N 1.350 115.916 114.554 0.019 0.000 2.881 376 T HA 0.947 5.297 4.350 -0.000 0.000 0.290 376 T C -0.289 174.249 174.700 -0.270 0.000 1.000 376 T CA -0.334 61.696 62.100 -0.116 0.000 0.978 376 T CB 1.644 70.495 68.868 -0.028 0.000 0.997 376 T HN 0.912 nan 8.240 nan 0.000 0.443 377 G N 0.710 109.080 108.800 -0.717 0.000 2.692 377 G HA2 0.616 4.576 3.960 -0.000 0.000 0.291 377 G HA3 0.616 4.576 3.960 -0.000 0.000 0.291 377 G C -1.749 172.842 174.900 -0.514 0.000 1.423 377 G CA -0.849 43.860 45.100 -0.652 0.000 0.843 377 G HN 0.891 nan 8.290 nan 0.000 0.486 378 V N 0.953 120.819 119.914 -0.080 0.000 2.444 378 V HA 0.542 4.661 4.120 -0.000 0.000 0.294 378 V C -1.180 175.067 176.094 0.255 0.000 1.022 378 V CA -0.566 61.817 62.300 0.137 0.000 0.850 378 V CB 1.567 33.499 31.823 0.182 0.000 0.992 378 V HN 0.804 nan 8.190 nan 0.000 0.426 379 D N 4.576 125.190 120.400 0.357 0.000 2.629 379 D HA 0.699 5.339 4.640 -0.000 0.000 0.250 379 D C -0.927 175.559 176.300 0.311 0.000 1.126 379 D CA -0.253 53.908 54.000 0.268 0.000 0.852 379 D CB 1.535 42.525 40.800 0.315 0.000 1.335 379 D HN 0.357 nan 8.370 nan 0.000 0.518 380 F N 1.361 121.382 119.950 0.119 0.000 2.662 380 F HA 0.820 5.347 4.527 -0.000 0.000 0.312 380 F C -1.608 174.224 175.800 0.053 0.000 1.113 380 F CA -1.311 56.755 58.000 0.111 0.000 0.951 380 F CB 1.194 40.263 39.000 0.115 0.000 1.344 380 F HN 0.245 nan 8.300 nan 0.000 0.462 381 M N 1.466 121.271 119.600 0.342 0.000 2.465 381 M HA 0.777 5.256 4.480 -0.000 0.000 0.284 381 M C -1.919 174.553 176.300 0.288 0.000 1.212 381 M CA -0.550 54.873 55.300 0.206 0.000 0.910 381 M CB 2.549 35.188 32.600 0.065 0.000 1.725 381 M HN 0.588 nan 8.290 nan 0.000 0.477 382 R N 2.324 123.004 120.500 0.300 0.000 2.599 382 R HA 0.940 5.279 4.340 -0.000 0.000 0.295 382 R C -1.527 174.904 176.300 0.218 0.000 0.963 382 R CA -0.459 55.805 56.100 0.274 0.000 0.883 382 R CB 2.065 32.568 30.300 0.338 0.000 1.171 382 R HN 1.034 nan 8.270 nan 0.000 0.450 383 M N 1.153 120.849 119.600 0.159 0.000 2.322 383 M HA 0.601 5.081 4.480 -0.000 0.000 0.286 383 M C -1.619 174.743 176.300 0.104 0.000 1.111 383 M CA -0.528 54.846 55.300 0.122 0.000 0.941 383 M CB 2.255 34.903 32.600 0.079 0.000 1.671 383 M HN 0.535 nan 8.290 nan 0.000 0.470 384 R N 1.722 122.282 120.500 0.100 0.000 2.628 384 R HA 0.836 5.176 4.340 -0.000 0.000 0.288 384 R C -1.709 174.636 176.300 0.075 0.000 0.980 384 R CA -0.778 55.372 56.100 0.084 0.000 0.891 384 R CB 1.528 31.880 30.300 0.087 0.000 1.188 384 R HN 0.790 nan 8.270 nan 0.000 0.450 385 N N 1.099 119.838 118.700 0.065 0.000 2.352 385 N HA 0.198 4.937 4.740 -0.000 0.000 0.291 385 N C -1.862 173.680 175.510 0.053 0.000 1.040 385 N CA -0.653 52.438 53.050 0.070 0.000 0.864 385 N CB 2.094 40.633 38.487 0.086 0.000 1.440 385 N HN 0.685 nan 8.380 nan 0.000 0.483 386 D N 3.430 123.866 120.400 0.060 0.000 2.373 386 D HA 0.345 4.985 4.640 -0.000 0.000 0.227 386 D C -0.557 175.777 176.300 0.057 0.000 1.091 386 D CA -0.240 53.786 54.000 0.042 0.000 0.840 386 D CB 0.530 41.358 40.800 0.046 0.000 1.060 386 D HN 0.491 nan 8.370 nan 0.000 0.502 387 I N 3.248 123.833 120.570 0.024 0.000 2.339 387 I HA 0.281 4.451 4.170 -0.000 0.000 0.290 387 I C 0.067 176.215 176.117 0.051 0.000 0.994 387 I CA -0.799 60.536 61.300 0.058 0.000 1.191 387 I CB 1.266 39.260 38.000 -0.009 0.000 1.343 387 I HN 0.194 nan 8.210 nan 0.000 0.458 388 N N 5.868 124.639 118.700 0.119 0.000 2.746 388 N HA 0.624 5.364 4.740 -0.000 0.000 0.250 388 N C -1.121 174.511 175.510 0.203 0.000 1.146 388 N CA -0.231 52.899 53.050 0.133 0.000 0.828 388 N CB 1.114 39.663 38.487 0.104 0.000 1.158 388 N HN 0.755 nan 8.380 nan 0.000 0.519 389 A N 1.643 124.640 122.820 0.296 0.000 2.389 389 A HA 0.786 5.106 4.320 -0.000 0.000 0.293 389 A C -1.700 176.136 177.584 0.418 0.000 1.186 389 A CA -0.721 51.515 52.037 0.331 0.000 0.828 389 A CB 1.295 20.550 19.000 0.425 0.000 1.369 389 A HN 0.509 nan 8.150 nan 0.000 0.446 390 W N 0.322 121.664 121.300 0.070 0.000 3.259 390 W HA 0.615 5.275 4.660 -0.000 0.000 0.331 390 W C -2.829 173.567 176.519 -0.204 0.000 1.144 390 W CA -0.744 56.644 57.345 0.072 0.000 1.227 390 W CB 1.807 31.323 29.460 0.093 0.000 1.371 390 W HN 0.514 nan 8.180 nan 0.000 0.491 391 F N 2.721 122.430 119.950 -0.403 0.000 2.482 391 F HA 0.566 5.093 4.527 -0.000 0.000 0.331 391 F C 0.992 176.213 175.800 -0.965 0.000 1.115 391 F CA -0.469 57.211 58.000 -0.535 0.000 0.955 391 F CB 1.897 40.663 39.000 -0.390 0.000 1.136 391 F HN 0.310 nan 8.300 nan 0.000 0.452 392 G N 2.427 110.646 108.800 -0.968 0.000 2.372 392 G HA2 0.396 4.356 3.960 -0.000 0.000 0.283 392 G HA3 0.396 4.356 3.960 -0.000 0.000 0.283 392 G C -1.077 173.506 174.900 -0.529 0.000 1.177 392 G CA -0.059 44.544 45.100 -0.828 0.000 0.842 392 G HN 0.450 nan 8.290 nan 0.000 0.503 393 Y N 0.065 120.345 120.300 -0.033 0.000 2.865 393 Y HA 0.264 4.814 4.550 -0.000 0.000 0.404 393 Y C 1.975 177.818 175.900 -0.096 0.000 1.281 393 Y CA -0.832 57.223 58.100 -0.076 0.000 1.502 393 Y CB 0.010 38.440 38.460 -0.050 0.000 1.563 393 Y HN 0.436 nan 8.280 nan 0.000 0.763 394 D N 0.291 120.756 120.400 0.109 0.000 2.269 394 D HA -0.200 4.439 4.640 -0.000 0.000 0.191 394 D C 0.028 176.332 176.300 0.006 0.000 1.007 394 D CA 2.088 56.089 54.000 0.003 0.000 0.855 394 D CB -0.297 40.517 40.800 0.023 0.000 0.979 394 D HN 0.518 nan 8.370 nan 0.000 0.452 395 D N -0.222 120.210 120.400 0.054 0.000 3.058 395 D HA 0.074 4.714 4.640 -0.000 0.000 0.272 395 D C 0.994 177.350 176.300 0.094 0.000 1.350 395 D CA 0.035 54.064 54.000 0.048 0.000 0.863 395 D CB 0.543 41.364 40.800 0.036 0.000 1.064 395 D HN 0.104 nan 8.370 nan 0.000 0.488 396 S N -0.844 114.931 115.700 0.123 0.000 2.496 396 S HA 0.036 4.506 4.470 -0.000 0.000 0.224 396 S C 0.900 175.638 174.600 0.229 0.000 0.996 396 S CA -0.205 58.143 58.200 0.246 0.000 0.927 396 S CB 0.250 63.680 63.200 0.383 0.000 0.774 396 S HN 0.208 nan 8.310 nan 0.000 0.524 397 V N -0.121 119.842 119.914 0.082 0.000 2.733 397 V HA 0.612 4.732 4.120 -0.000 0.000 0.306 397 V C -3.118 172.977 176.094 0.001 0.000 1.084 397 V CA -2.594 59.707 62.300 0.001 0.000 0.905 397 V CB 1.994 33.591 31.823 -0.376 0.000 1.010 397 V HN 0.011 nan 8.190 nan 0.000 0.424 398 P HA 0.087 nan 4.420 nan 0.000 0.266 398 P C 0.236 177.560 177.300 0.040 0.000 1.186 398 P CA 0.147 63.271 63.100 0.040 0.000 0.767 398 P CB 0.578 32.311 31.700 0.055 0.000 0.820 399 L N 1.751 123.013 121.223 0.065 0.000 2.483 399 L HA 0.091 4.430 4.340 -0.000 0.000 0.277 399 L C 1.001 177.960 176.870 0.148 0.000 1.248 399 L CA 0.050 54.961 54.840 0.117 0.000 0.825 399 L CB -0.144 42.019 42.059 0.174 0.000 1.096 399 L HN 0.329 nan 8.230 nan 0.000 0.512 400 L N 3.137 124.452 121.223 0.153 0.000 2.342 400 L HA 0.318 4.658 4.340 -0.000 0.000 0.276 400 L C -0.488 176.402 176.870 0.034 0.000 0.997 400 L CA -0.343 54.567 54.840 0.116 0.000 0.838 400 L CB 1.269 43.407 42.059 0.132 0.000 1.224 400 L HN 0.618 nan 8.230 nan 0.000 0.416 401 N N 5.222 123.882 118.700 -0.067 0.000 2.406 401 N HA 0.071 4.811 4.740 -0.000 0.000 0.265 401 N C 1.115 176.538 175.510 -0.144 0.000 1.203 401 N CA -0.025 52.792 53.050 -0.388 0.000 0.945 401 N CB 0.779 39.082 38.487 -0.307 0.000 1.165 401 N HN 0.721 nan 8.380 nan 0.000 0.485 402 L N 3.419 124.533 121.223 -0.181 0.000 2.362 402 L HA -0.150 4.190 4.340 -0.000 0.000 0.219 402 L C 1.109 178.003 176.870 0.041 0.000 1.134 402 L CA 0.758 55.555 54.840 -0.073 0.000 0.807 402 L CB -0.324 41.642 42.059 -0.155 0.000 0.927 402 L HN 0.548 nan 8.230 nan 0.000 0.447 403 Y N -0.728 119.500 120.300 -0.119 0.000 2.420 403 Y HA 0.003 4.553 4.550 -0.000 0.000 0.292 403 Y C 1.235 177.089 175.900 -0.076 0.000 1.119 403 Y CA 0.147 58.157 58.100 -0.149 0.000 1.229 403 Y CB -0.207 38.077 38.460 -0.295 0.000 1.026 403 Y HN 0.210 nan 8.280 nan 0.000 0.554 404 N N 0.460 119.226 118.700 0.109 0.000 2.726 404 N HA 0.182 4.921 4.740 -0.000 0.000 0.253 404 N C -3.135 172.426 175.510 0.085 0.000 1.530 404 N CA -1.768 51.332 53.050 0.083 0.000 0.772 404 N CB 0.771 39.298 38.487 0.067 0.000 1.220 404 N HN -0.197 nan 8.380 nan 0.000 0.508 405 P HA 0.065 nan 4.420 nan 0.000 0.271 405 P C -0.762 176.591 177.300 0.088 0.000 1.226 405 P CA -0.084 63.108 63.100 0.154 0.000 0.765 405 P CB 1.345 33.233 31.700 0.313 0.000 0.835 406 V N 4.854 124.808 119.914 0.067 0.000 2.376 406 V HA 0.200 4.320 4.120 -0.000 0.000 0.287 406 V C 0.093 176.205 176.094 0.029 0.000 1.015 406 V CA -0.580 61.747 62.300 0.045 0.000 0.834 406 V CB 0.897 32.749 31.823 0.050 0.000 1.001 406 V HN 0.447 nan 8.190 nan 0.000 0.428 407 N N 3.219 121.926 118.700 0.010 0.000 2.422 407 N HA 0.641 5.381 4.740 -0.000 0.000 0.264 407 N C 0.051 175.573 175.510 0.020 0.000 1.063 407 N CA -0.199 52.853 53.050 0.003 0.000 0.959 407 N CB 1.491 39.965 38.487 -0.022 0.000 1.087 407 N HN 0.863 nan 8.380 nan 0.000 0.483 408 T N -1.755 112.818 114.554 0.032 0.000 2.841 408 T HA 0.436 4.785 4.350 -0.000 0.000 0.296 408 T C -0.654 174.079 174.700 0.056 0.000 1.166 408 T CA -1.034 61.088 62.100 0.037 0.000 1.007 408 T CB 1.183 70.070 68.868 0.031 0.000 1.253 408 T HN 0.067 nan 8.240 nan 0.000 0.511 409 D N 0.231 120.659 120.400 0.047 0.000 2.382 409 D HA 0.494 5.134 4.640 -0.000 0.000 0.240 409 D C -1.065 175.266 176.300 0.052 0.000 1.146 409 D CA 0.156 54.193 54.000 0.062 0.000 0.897 409 D CB 0.336 41.154 40.800 0.030 0.000 1.197 409 D HN 0.468 nan 8.370 nan 0.000 0.432 410 F N 1.052 120.900 119.950 -0.170 0.000 2.520 410 F HA 0.251 4.778 4.527 -0.000 0.000 0.322 410 F C -0.651 174.838 175.800 -0.518 0.000 1.103 410 F CA -1.253 56.495 58.000 -0.420 0.000 0.926 410 F CB 1.616 40.200 39.000 -0.693 0.000 1.154 410 F HN 0.058 nan 8.300 nan 0.000 0.453 411 D N 4.854 124.456 120.400 -1.330 0.000 2.393 411 D HA 0.154 4.793 4.640 -0.000 0.000 0.232 411 D C 0.303 175.824 176.300 -1.298 0.000 1.192 411 D CA 0.156 53.578 54.000 -0.962 0.000 0.882 411 D CB 0.041 40.461 40.800 -0.633 0.000 1.038 411 D HN 0.418 nan 8.370 nan 0.000 0.499 412 F N 1.826 121.428 119.950 -0.581 0.000 2.615 412 F HA 0.055 4.582 4.527 -0.000 0.000 0.297 412 F C 1.969 177.578 175.800 -0.319 0.000 1.124 412 F CA 0.052 57.830 58.000 -0.369 0.000 1.451 412 F CB -0.050 38.910 39.000 -0.067 0.000 1.103 412 F HN 0.371 nan 8.300 nan 0.000 0.569 413 N N 0.744 119.341 118.700 -0.171 0.000 2.300 413 N HA 0.017 4.757 4.740 -0.000 0.000 0.179 413 N C 1.128 176.487 175.510 -0.251 0.000 1.016 413 N CA 0.742 53.681 53.050 -0.186 0.000 0.876 413 N CB -0.322 38.080 38.487 -0.142 0.000 0.979 413 N HN 0.085 nan 8.380 nan 0.000 0.432 414 A N 1.966 124.610 122.820 -0.294 0.000 2.897 414 A HA 0.044 4.364 4.320 -0.000 0.000 0.287 414 A C 0.155 177.617 177.584 -0.204 0.000 1.748 414 A CA -0.001 51.889 52.037 -0.245 0.000 1.397 414 A CB -0.703 18.131 19.000 -0.276 0.000 1.049 414 A HN 0.095 nan 8.150 nan 0.000 0.592 415 K N 2.187 122.457 120.400 -0.216 0.000 2.502 415 K HA 0.040 4.360 4.320 -0.000 0.000 0.244 415 K C -0.359 176.326 176.600 0.142 0.000 1.249 415 K CA -0.384 55.810 56.287 -0.156 0.000 1.193 415 K CB 0.135 32.112 32.500 -0.871 0.000 1.674 415 K HN 0.617 nan 8.250 nan 0.000 0.302 416 D N 3.248 123.752 120.400 0.172 0.000 2.479 416 D HA -0.044 4.596 4.640 -0.000 0.000 0.257 416 D C -1.131 175.352 176.300 0.305 0.000 1.230 416 D CA -1.714 52.400 54.000 0.191 0.000 0.912 416 D CB 1.039 41.926 40.800 0.145 0.000 1.130 416 D HN 0.224 nan 8.370 nan 0.000 0.515 417 P HA -0.112 nan 4.420 nan 0.000 0.228 417 P C 0.753 178.193 177.300 0.232 0.000 1.151 417 P CA 0.594 63.871 63.100 0.296 0.000 0.770 417 P CB 0.220 32.060 31.700 0.234 0.000 0.786 418 A N 0.696 123.634 122.820 0.197 0.000 2.169 418 A HA -0.049 4.271 4.320 -0.000 0.000 0.212 418 A C 1.515 179.218 177.584 0.200 0.000 1.153 418 A CA 0.895 53.029 52.037 0.163 0.000 0.756 418 A CB -1.083 17.990 19.000 0.122 0.000 0.813 418 A HN 0.517 nan 8.150 nan 0.000 0.471 419 N N -1.695 117.164 118.700 0.264 0.000 2.217 419 N HA 0.128 4.868 4.740 -0.000 0.000 0.239 419 N C -0.421 175.296 175.510 0.345 0.000 1.330 419 N CA 0.393 53.634 53.050 0.318 0.000 0.838 419 N CB 0.627 39.253 38.487 0.231 0.000 1.287 419 N HN 0.248 nan 8.380 nan 0.000 0.498 420 S N -1.035 114.855 115.700 0.316 0.000 2.552 420 S HA 0.790 5.260 4.470 -0.000 0.000 0.272 420 S C -0.688 173.884 174.600 -0.047 0.000 1.150 420 S CA -0.605 57.535 58.200 -0.100 0.000 0.849 420 S CB 1.743 65.150 63.200 0.346 0.000 1.113 420 S HN 0.254 nan 8.310 nan 0.000 0.458 421 G N 0.750 109.193 108.800 -0.595 0.000 2.672 421 G HA2 0.827 4.787 3.960 -0.000 0.000 0.292 421 G HA3 0.827 4.787 3.960 -0.000 0.000 0.292 421 G C -3.399 170.703 174.900 -1.330 0.000 1.375 421 G CA -1.749 42.946 45.100 -0.675 0.000 0.890 421 G HN 0.620 nan 8.290 nan 0.000 0.476 422 P HA 0.304 nan 4.420 nan 0.000 0.276 422 P C -1.730 175.547 177.300 -0.038 0.000 1.252 422 P CA -0.409 62.340 63.100 -0.586 0.000 0.802 422 P CB 1.494 33.074 31.700 -0.200 0.000 1.035 423 Y N 0.806 121.116 120.300 0.016 0.000 2.422 423 Y HA 0.343 4.893 4.550 -0.000 0.000 0.344 423 Y C -0.702 175.238 175.900 0.067 0.000 1.097 423 Y CA -0.511 57.627 58.100 0.063 0.000 1.307 423 Y CB 0.956 39.551 38.460 0.226 0.000 1.102 423 Y HN 0.203 nan 8.280 nan 0.000 0.520 424 R N 6.441 126.793 120.500 -0.247 0.000 2.337 424 R HA 0.620 4.960 4.340 -0.000 0.000 0.319 424 R C -1.286 174.813 176.300 -0.336 0.000 0.954 424 R CA -0.681 55.300 56.100 -0.198 0.000 0.840 424 R CB 1.423 31.694 30.300 -0.048 0.000 1.164 424 R HN 0.356 nan 8.270 nan 0.000 0.472 425 I N 3.486 123.829 120.570 -0.378 0.000 2.785 425 I HA 0.375 4.544 4.170 -0.000 0.000 0.302 425 I C -0.693 175.324 176.117 -0.166 0.000 1.069 425 I CA -1.184 59.918 61.300 -0.330 0.000 1.045 425 I CB 2.083 39.780 38.000 -0.506 0.000 1.236 425 I HN 0.417 nan 8.210 nan 0.000 0.429 426 L N 5.666 126.823 121.223 -0.109 0.000 2.401 426 L HA 0.497 4.836 4.340 -0.000 0.000 0.263 426 L C -0.881 175.971 176.870 -0.030 0.000 1.004 426 L CA -0.115 54.697 54.840 -0.047 0.000 0.881 426 L CB 0.384 42.429 42.059 -0.024 0.000 1.219 426 L HN 0.390 nan 8.230 nan 0.000 0.441 427 N N 4.385 123.076 118.700 -0.016 0.000 2.479 427 N HA 0.409 5.149 4.740 -0.000 0.000 0.285 427 N C -0.863 174.667 175.510 0.034 0.000 1.075 427 N CA -0.262 52.793 53.050 0.008 0.000 0.967 427 N CB 1.700 40.196 38.487 0.015 0.000 1.137 427 N HN 0.526 nan 8.380 nan 0.000 0.472 428 K N 1.769 122.194 120.400 0.042 0.000 2.371 428 K HA 0.418 4.738 4.320 -0.000 0.000 0.251 428 K C -0.681 175.961 176.600 0.070 0.000 0.934 428 K CA -0.581 55.742 56.287 0.060 0.000 0.798 428 K CB 2.272 34.806 32.500 0.057 0.000 1.204 428 K HN 0.413 nan 8.250 nan 0.000 0.427 429 Q N 1.794 121.645 119.800 0.085 0.000 2.379 429 Q HA 0.370 4.710 4.340 -0.000 0.000 0.278 429 Q C -1.683 174.388 176.000 0.118 0.000 1.068 429 Q CA -0.980 54.880 55.803 0.095 0.000 0.816 429 Q CB 3.016 31.803 28.738 0.082 0.000 1.387 429 Q HN 0.584 nan 8.270 nan 0.000 0.413 430 K N 0.680 121.161 120.400 0.135 0.000 2.546 430 K HA 0.573 4.893 4.320 -0.000 0.000 0.264 430 K C -1.634 175.081 176.600 0.192 0.000 0.937 430 K CA -0.951 55.435 56.287 0.165 0.000 0.833 430 K CB 2.438 35.028 32.500 0.149 0.000 1.378 430 K HN 0.481 nan 8.250 nan 0.000 0.432 431 Q N 1.612 121.551 119.800 0.231 0.000 2.295 431 Q HA 0.374 4.714 4.340 -0.000 0.000 0.268 431 Q C -1.685 174.514 176.000 0.332 0.000 1.010 431 Q CA -0.495 55.471 55.803 0.272 0.000 0.856 431 Q CB 2.795 31.678 28.738 0.241 0.000 1.349 431 Q HN 0.801 nan 8.270 nan 0.000 0.412 432 T N 1.655 116.437 114.554 0.381 0.000 2.886 432 T HA 0.822 5.171 4.350 -0.000 0.000 0.292 432 T C -0.715 174.296 174.700 0.518 0.000 1.012 432 T CA -0.517 61.835 62.100 0.420 0.000 0.982 432 T CB 1.617 70.649 68.868 0.273 0.000 1.018 432 T HN 0.686 nan 8.240 nan 0.000 0.451 433 G N 0.750 109.840 108.800 0.483 0.000 2.659 433 G HA2 0.650 4.609 3.960 -0.000 0.000 0.296 433 G HA3 0.650 4.609 3.960 -0.000 0.000 0.296 433 G C -1.702 173.486 174.900 0.481 0.000 1.369 433 G CA -0.567 44.827 45.100 0.489 0.000 0.937 433 G HN 0.699 nan 8.290 nan 0.000 0.485 434 V N 1.373 121.573 119.914 0.476 0.000 2.604 434 V HA 0.759 4.878 4.120 -0.000 0.000 0.305 434 V C -0.917 175.388 176.094 0.351 0.000 1.043 434 V CA -0.668 61.834 62.300 0.336 0.000 0.888 434 V CB 1.115 33.142 31.823 0.340 0.000 0.995 434 V HN 0.881 nan 8.190 nan 0.000 0.429 435 Y N 2.798 123.201 120.300 0.171 0.000 2.562 435 Y HA 0.897 5.446 4.550 -0.000 0.000 0.345 435 Y C -1.258 174.711 175.900 0.116 0.000 1.045 435 Y CA -1.517 56.662 58.100 0.132 0.000 1.028 435 Y CB 2.011 40.513 38.460 0.070 0.000 1.297 435 Y HN 0.445 nan 8.280 nan 0.000 0.463 436 V N 2.650 122.711 119.914 0.246 0.000 2.808 436 V HA 0.631 4.750 4.120 -0.000 0.000 0.308 436 V C -1.656 174.560 176.094 0.203 0.000 1.099 436 V CA -0.256 62.141 62.300 0.162 0.000 0.920 436 V CB 1.959 33.855 31.823 0.122 0.000 1.014 436 V HN 1.079 nan 8.190 nan 0.000 0.425 437 Q N 3.650 123.554 119.800 0.173 0.000 2.377 437 Q HA 0.588 4.928 4.340 -0.000 0.000 0.279 437 Q C -2.289 173.777 176.000 0.110 0.000 1.049 437 Q CA -0.618 55.271 55.803 0.142 0.000 0.825 437 Q CB 2.536 31.354 28.738 0.134 0.000 1.401 437 Q HN 0.834 nan 8.270 nan 0.000 0.404 438 D N 1.567 122.023 120.400 0.094 0.000 2.879 438 D HA 0.249 4.888 4.640 -0.000 0.000 0.236 438 D C -1.601 174.743 176.300 0.073 0.000 1.171 438 D CA -0.177 53.871 54.000 0.080 0.000 0.868 438 D CB 1.856 42.701 40.800 0.075 0.000 1.598 438 D HN 0.475 nan 8.370 nan 0.000 0.497 439 Q N 1.904 121.737 119.800 0.054 0.000 2.508 439 Q HA 0.653 4.993 4.340 -0.000 0.000 0.247 439 Q C -0.936 175.078 176.000 0.025 0.000 1.047 439 Q CA -0.915 54.903 55.803 0.026 0.000 0.783 439 Q CB 1.793 30.526 28.738 -0.008 0.000 1.172 439 Q HN 0.449 nan 8.270 nan 0.000 0.515 440 A N 2.751 125.607 122.820 0.059 0.000 2.301 440 A HA 0.421 4.741 4.320 -0.000 0.000 0.298 440 A C -0.622 176.937 177.584 -0.042 0.000 1.185 440 A CA -0.367 51.666 52.037 -0.007 0.000 0.830 440 A CB 0.915 19.974 19.000 0.099 0.000 1.112 440 A HN 0.645 nan 8.150 nan 0.000 0.508 441 Q N 1.956 121.693 119.800 -0.104 0.000 2.310 441 Q HA 0.457 4.797 4.340 -0.000 0.000 0.270 441 Q C -1.903 174.094 176.000 -0.005 0.000 1.025 441 Q CA -0.495 55.275 55.803 -0.054 0.000 0.772 441 Q CB 1.477 30.157 28.738 -0.097 0.000 1.253 441 Q HN 0.781 nan 8.270 nan 0.000 0.450 442 W N 6.890 128.116 121.300 -0.122 0.000 2.362 442 W HA 0.355 5.015 4.660 -0.000 0.000 0.316 442 W C 0.040 176.500 176.519 -0.098 0.000 1.024 442 W CA -0.109 57.175 57.345 -0.102 0.000 1.270 442 W CB 0.659 30.078 29.460 -0.067 0.000 1.273 442 W HN 1.006 nan 8.180 nan 0.000 0.424 443 D N 2.899 122.843 120.400 -0.759 0.000 4.134 443 D HA -0.355 4.285 4.640 -0.000 0.000 0.141 443 D C 0.899 176.874 176.300 -0.542 0.000 0.779 443 D CA 2.770 56.296 54.000 -0.791 0.000 1.126 443 D CB -0.411 39.585 40.800 -1.339 0.000 0.523 443 D HN 0.603 nan 8.370 nan 0.000 0.513 444 K N -0.612 119.421 120.400 -0.611 0.000 2.358 444 K HA 0.354 4.674 4.320 -0.000 0.000 0.200 444 K C -0.435 175.793 176.600 -0.620 0.000 1.030 444 K CA -0.056 55.865 56.287 -0.610 0.000 1.097 444 K CB 1.440 33.467 32.500 -0.789 0.000 0.862 444 K HN 0.077 nan 8.250 nan 0.000 0.534 445 V N 2.180 121.893 119.914 -0.335 0.000 2.472 445 V HA 0.367 4.486 4.120 -0.000 0.000 0.290 445 V C -0.458 175.632 176.094 -0.005 0.000 1.037 445 V CA -0.810 61.453 62.300 -0.060 0.000 0.908 445 V CB 1.818 33.803 31.823 0.270 0.000 0.985 445 V HN 0.160 nan 8.190 nan 0.000 0.454 446 L N 5.077 126.308 121.223 0.013 0.000 2.409 446 L HA 0.722 5.062 4.340 -0.000 0.000 0.272 446 L C -1.350 175.543 176.870 0.039 0.000 0.980 446 L CA -0.476 54.367 54.840 0.006 0.000 0.826 446 L CB 2.074 44.107 42.059 -0.043 0.000 1.268 446 L HN 0.457 nan 8.230 nan 0.000 0.407 447 V N 2.960 122.901 119.914 0.046 0.000 2.444 447 V HA 0.450 4.569 4.120 -0.000 0.000 0.294 447 V C -0.127 175.990 176.094 0.039 0.000 1.022 447 V CA -0.427 61.904 62.300 0.051 0.000 0.850 447 V CB 1.875 33.749 31.823 0.086 0.000 0.992 447 V HN 0.765 nan 8.190 nan 0.000 0.426 448 T N 6.899 121.462 114.554 0.015 0.000 2.756 448 T HA 0.545 4.895 4.350 -0.000 0.000 0.290 448 T C -0.643 174.089 174.700 0.052 0.000 0.985 448 T CA -0.257 61.853 62.100 0.017 0.000 0.955 448 T CB 0.727 69.578 68.868 -0.028 0.000 0.930 448 T HN 0.265 nan 8.240 nan 0.000 0.451 449 L N 2.920 124.197 121.223 0.090 0.000 2.381 449 L HA 0.922 5.262 4.340 -0.000 0.000 0.268 449 L C 0.098 177.058 176.870 0.149 0.000 0.997 449 L CA -0.096 54.834 54.840 0.149 0.000 0.818 449 L CB 1.657 43.810 42.059 0.157 0.000 1.310 449 L HN 0.861 nan 8.230 nan 0.000 0.416 450 G N 1.397 110.318 108.800 0.202 0.000 2.519 450 G HA2 0.597 4.557 3.960 -0.000 0.000 0.292 450 G HA3 0.597 4.557 3.960 -0.000 0.000 0.292 450 G C -1.474 173.564 174.900 0.231 0.000 1.507 450 G CA 0.005 45.216 45.100 0.185 0.000 0.806 450 G HN 0.915 nan 8.290 nan 0.000 0.523 451 G N -0.827 108.104 108.800 0.218 0.000 2.690 451 G HA2 0.802 4.762 3.960 -0.000 0.000 0.293 451 G HA3 0.802 4.762 3.960 -0.000 0.000 0.293 451 G C -1.347 173.654 174.900 0.169 0.000 1.399 451 G CA -0.748 44.453 45.100 0.168 0.000 0.890 451 G HN 0.739 nan 8.290 nan 0.000 0.485 452 R N -0.261 120.237 120.500 -0.004 0.000 2.584 452 R HA 0.555 4.895 4.340 -0.000 0.000 0.276 452 R C -2.269 174.119 176.300 0.148 0.000 1.046 452 R CA -0.862 55.332 56.100 0.156 0.000 0.906 452 R CB 2.062 32.431 30.300 0.115 0.000 1.215 452 R HN 0.558 nan 8.270 nan 0.000 0.449 453 Y N 2.829 123.227 120.300 0.164 0.000 2.341 453 Y HA 0.416 4.966 4.550 -0.000 0.000 0.338 453 Y C -1.108 174.746 175.900 -0.077 0.000 0.965 453 Y CA -0.456 57.665 58.100 0.035 0.000 1.108 453 Y CB 1.624 40.074 38.460 -0.017 0.000 1.180 453 Y HN 0.585 nan 8.280 nan 0.000 0.458 454 D N 5.170 125.216 120.400 -0.590 0.000 2.350 454 D HA 0.195 4.835 4.640 -0.000 0.000 0.245 454 D C -1.143 174.890 176.300 -0.446 0.000 1.036 454 D CA -0.184 53.661 54.000 -0.258 0.000 0.848 454 D CB 1.569 42.380 40.800 0.018 0.000 1.307 454 D HN 0.576 nan 8.370 nan 0.000 0.469 455 W N 1.501 122.822 121.300 0.035 0.000 2.296 455 W HA 0.503 5.163 4.660 -0.000 0.000 0.316 455 W C -0.604 175.976 176.519 0.101 0.000 1.022 455 W CA -0.791 56.589 57.345 0.059 0.000 1.324 455 W CB 1.538 31.068 29.460 0.117 0.000 1.227 455 W HN 0.270 nan 8.180 nan 0.000 0.409 456 A N 4.002 126.973 122.820 0.251 0.000 2.285 456 A HA 0.528 4.848 4.320 -0.000 0.000 0.310 456 A C -0.612 177.091 177.584 0.198 0.000 1.266 456 A CA -0.494 51.691 52.037 0.245 0.000 0.832 456 A CB 0.703 19.882 19.000 0.298 0.000 1.163 456 A HN 0.422 nan 8.150 nan 0.000 0.499 457 D N 2.187 122.696 120.400 0.182 0.000 2.248 457 D HA 0.470 5.110 4.640 -0.000 0.000 0.246 457 D C -0.314 176.057 176.300 0.118 0.000 1.027 457 D CA -0.072 54.013 54.000 0.142 0.000 0.853 457 D CB 1.768 42.648 40.800 0.133 0.000 1.243 457 D HN 0.729 nan 8.370 nan 0.000 0.462 458 Q N -0.288 119.571 119.800 0.098 0.000 2.372 458 Q HA 0.614 4.954 4.340 -0.000 0.000 0.273 458 Q C -1.190 174.848 176.000 0.064 0.000 1.078 458 Q CA -0.972 54.880 55.803 0.082 0.000 0.806 458 Q CB 3.012 31.799 28.738 0.082 0.000 1.332 458 Q HN 0.404 nan 8.270 nan 0.000 0.435 459 E N 1.555 121.786 120.200 0.053 0.000 2.274 459 E HA 0.352 4.702 4.350 -0.000 0.000 0.269 459 E C -1.822 174.792 176.600 0.024 0.000 0.891 459 E CA -0.466 55.956 56.400 0.037 0.000 0.784 459 E CB 2.311 32.034 29.700 0.037 0.000 1.225 459 E HN 0.582 nan 8.360 nan 0.000 0.412 460 S N 5.909 121.615 115.700 0.011 0.000 2.640 460 S HA 0.348 4.818 4.470 -0.000 0.000 0.320 460 S C -1.027 173.557 174.600 -0.026 0.000 1.097 460 S CA -0.848 57.346 58.200 -0.011 0.000 1.092 460 S CB 0.744 63.937 63.200 -0.010 0.000 0.988 460 S HN 0.565 nan 8.310 nan 0.000 0.470 461 L N 5.821 127.021 121.223 -0.038 0.000 2.272 461 L HA 0.559 4.898 4.340 -0.000 0.000 0.289 461 L C -0.522 176.300 176.870 -0.079 0.000 1.032 461 L CA -0.278 54.536 54.840 -0.043 0.000 0.810 461 L CB 1.098 43.141 42.059 -0.027 0.000 1.205 461 L HN 0.678 nan 8.230 nan 0.000 0.422 462 N N 4.957 123.609 118.700 -0.079 0.000 2.437 462 N HA 0.190 4.930 4.740 -0.000 0.000 0.243 462 N C 0.870 176.332 175.510 -0.080 0.000 1.041 462 N CA -0.127 52.855 53.050 -0.113 0.000 0.940 462 N CB 0.967 39.398 38.487 -0.094 0.000 1.133 462 N HN 0.681 nan 8.380 nan 0.000 0.506 463 R N 2.038 122.485 120.500 -0.087 0.000 2.120 463 R HA -0.050 4.290 4.340 -0.000 0.000 0.234 463 R C 1.519 177.801 176.300 -0.029 0.000 1.123 463 R CA 1.051 57.123 56.100 -0.046 0.000 0.975 463 R CB 0.188 30.466 30.300 -0.037 0.000 0.866 463 R HN 0.388 nan 8.270 nan 0.000 0.446 464 V N 0.369 120.258 119.914 -0.041 0.000 2.255 464 V HA -0.141 3.979 4.120 -0.000 0.000 0.243 464 V C 2.346 178.433 176.094 -0.011 0.000 1.038 464 V CA 1.949 64.240 62.300 -0.016 0.000 1.008 464 V CB -0.634 31.176 31.823 -0.021 0.000 0.645 464 V HN 0.347 nan 8.190 nan 0.000 0.449 465 A N -0.594 122.212 122.820 -0.023 0.000 1.968 465 A HA 0.239 4.559 4.320 -0.000 0.000 0.217 465 A C 2.177 179.756 177.584 -0.008 0.000 1.169 465 A CA 1.681 53.710 52.037 -0.012 0.000 0.638 465 A CB -0.701 18.290 19.000 -0.015 0.000 0.812 465 A HN 1.326 nan 8.150 nan 0.000 0.446 466 G N -1.321 107.471 108.800 -0.015 0.000 2.176 466 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.253 466 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.253 466 G C 0.660 175.555 174.900 -0.009 0.000 0.979 466 G CA 1.277 46.372 45.100 -0.009 0.000 0.641 466 G HN 1.526 nan 8.290 nan 0.000 0.530 467 T N -1.719 112.828 114.554 -0.012 0.000 2.754 467 T HA 0.630 4.980 4.350 -0.000 0.000 0.286 467 T C 0.011 174.703 174.700 -0.013 0.000 0.997 467 T CA 0.742 62.837 62.100 -0.009 0.000 0.982 467 T CB 1.993 70.857 68.868 -0.007 0.000 1.027 467 T HN 0.684 nan 8.240 nan 0.000 0.529 468 T N 1.671 116.221 114.554 -0.007 0.000 3.483 468 T HA 0.348 4.698 4.350 -0.000 0.000 0.329 468 T C -1.791 172.908 174.700 -0.001 0.000 1.014 468 T CA -0.815 61.281 62.100 -0.006 0.000 1.056 468 T CB 1.162 70.029 68.868 -0.001 0.000 1.090 468 T HN 0.684 nan 8.240 nan 0.000 0.460 469 D N 3.219 123.618 120.400 -0.001 0.000 2.217 469 D HA 0.506 5.146 4.640 -0.000 0.000 0.243 469 D C -0.157 176.151 176.300 0.012 0.000 1.054 469 D CA -0.490 53.512 54.000 0.003 0.000 0.838 469 D CB 2.107 42.907 40.800 0.001 0.000 1.162 469 D HN 0.384 nan 8.370 nan 0.000 0.472 470 K N 1.314 121.724 120.400 0.016 0.000 2.395 470 K HA 0.728 5.047 4.320 -0.000 0.000 0.245 470 K C -0.385 176.235 176.600 0.034 0.000 1.017 470 K CA -0.983 55.321 56.287 0.029 0.000 0.852 470 K CB 3.053 35.572 32.500 0.031 0.000 1.311 470 K HN 0.191 nan 8.250 nan 0.000 0.452 471 R N 1.514 122.045 120.500 0.051 0.000 2.868 471 R HA 0.101 4.441 4.340 -0.000 0.000 0.262 471 R C -1.998 174.351 176.300 0.081 0.000 1.163 471 R CA -0.436 55.700 56.100 0.060 0.000 1.105 471 R CB 1.057 31.392 30.300 0.058 0.000 1.270 471 R HN 0.679 nan 8.270 nan 0.000 0.437 472 D N 3.305 123.757 120.400 0.086 0.000 2.233 472 D HA 0.274 4.914 4.640 -0.000 0.000 0.240 472 D C -0.909 175.449 176.300 0.096 0.000 1.074 472 D CA -0.040 54.027 54.000 0.111 0.000 0.838 472 D CB 2.091 42.966 40.800 0.125 0.000 1.124 472 D HN 0.422 nan 8.370 nan 0.000 0.475 473 D N 0.924 121.379 120.400 0.093 0.000 2.342 473 D HA 0.369 5.009 4.640 -0.000 0.000 0.243 473 D C -0.401 175.848 176.300 -0.085 0.000 1.019 473 D CA -0.587 53.426 54.000 0.021 0.000 0.864 473 D CB 1.842 42.668 40.800 0.044 0.000 1.315 473 D HN -0.036 nan 8.370 nan 0.000 0.468 474 K N 2.190 122.463 120.400 -0.211 0.000 2.579 474 K HA 0.377 4.697 4.320 -0.000 0.000 0.250 474 K C -1.048 175.192 176.600 -0.600 0.000 0.952 474 K CA -0.866 55.141 56.287 -0.468 0.000 0.857 474 K CB 1.718 34.079 32.500 -0.231 0.000 1.123 474 K HN 0.236 nan 8.250 nan 0.000 0.433 475 Q N 2.165 121.387 119.800 -0.962 0.000 2.372 475 Q HA 0.405 4.745 4.340 -0.000 0.000 0.273 475 Q C -1.532 173.971 176.000 -0.828 0.000 1.078 475 Q CA -0.751 54.523 55.803 -0.882 0.000 0.806 475 Q CB 2.528 30.441 28.738 -1.376 0.000 1.332 475 Q HN 0.537 nan 8.270 nan 0.000 0.435 476 F N 1.689 121.354 119.950 -0.476 0.000 2.495 476 F HA 0.632 5.159 4.527 -0.000 0.000 0.327 476 F C -0.540 175.261 175.800 0.002 0.000 1.103 476 F CA -0.262 57.646 58.000 -0.153 0.000 0.949 476 F CB 1.557 40.641 39.000 0.139 0.000 1.142 476 F HN 0.454 nan 8.300 nan 0.000 0.457 477 T N 3.450 117.560 114.554 -0.741 0.000 2.896 477 T HA 0.720 5.069 4.350 -0.000 0.000 0.297 477 T C -1.295 173.084 174.700 -0.536 0.000 1.108 477 T CA -0.681 61.162 62.100 -0.429 0.000 1.004 477 T CB 2.030 70.800 68.868 -0.162 0.000 1.159 477 T HN 0.893 nan 8.240 nan 0.000 0.499 478 W N 0.791 121.838 121.300 -0.422 0.000 3.018 478 W HA 0.812 5.472 4.660 -0.000 0.000 0.352 478 W C -1.822 174.621 176.519 -0.127 0.000 1.230 478 W CA -1.245 55.951 57.345 -0.248 0.000 1.162 478 W CB 1.371 30.774 29.460 -0.095 0.000 1.483 478 W HN 1.092 nan 8.180 nan 0.000 0.584 479 R N 1.050 121.475 120.500 -0.126 0.000 2.566 479 R HA 0.578 4.918 4.340 -0.000 0.000 0.271 479 R C -1.226 175.048 176.300 -0.043 0.000 1.071 479 R CA -0.270 55.620 56.100 -0.349 0.000 0.915 479 R CB 1.742 31.881 30.300 -0.269 0.000 1.228 479 R HN 0.935 nan 8.270 nan 0.000 0.449 480 G N 0.798 109.530 108.800 -0.112 0.000 2.620 480 G HA2 0.727 4.687 3.960 -0.000 0.000 0.301 480 G HA3 0.727 4.687 3.960 -0.000 0.000 0.301 480 G C -1.239 173.602 174.900 -0.099 0.000 1.347 480 G CA -0.520 44.628 45.100 0.080 0.000 0.971 480 G HN 0.778 nan 8.290 nan 0.000 0.488 481 G N -1.282 107.428 108.800 -0.151 0.000 2.646 481 G HA2 0.656 4.616 3.960 -0.000 0.000 0.291 481 G HA3 0.656 4.616 3.960 -0.000 0.000 0.291 481 G C -1.931 172.802 174.900 -0.277 0.000 1.445 481 G CA -0.440 44.439 45.100 -0.369 0.000 0.814 481 G HN 1.117 nan 8.290 nan 0.000 0.495 482 V N 0.723 120.429 119.914 -0.347 0.000 2.709 482 V HA 0.541 4.661 4.120 -0.000 0.000 0.308 482 V C -0.601 175.562 176.094 0.115 0.000 1.062 482 V CA -1.013 61.263 62.300 -0.041 0.000 0.901 482 V CB 2.000 33.887 31.823 0.106 0.000 1.003 482 V HN 0.744 nan 8.190 nan 0.000 0.425 483 N N 2.315 121.090 118.700 0.125 0.000 2.284 483 N HA 0.502 5.242 4.740 -0.000 0.000 0.300 483 N C -1.918 173.680 175.510 0.146 0.000 1.047 483 N CA -0.568 52.581 53.050 0.164 0.000 0.821 483 N CB 2.762 41.277 38.487 0.047 0.000 1.337 483 N HN 0.685 nan 8.380 nan 0.000 0.482 484 Y N 2.221 122.550 120.300 0.048 0.000 2.328 484 Y HA 0.364 4.913 4.550 -0.000 0.000 0.336 484 Y C -1.201 174.606 175.900 -0.155 0.000 0.960 484 Y CA -0.822 57.216 58.100 -0.104 0.000 1.134 484 Y CB 0.777 39.135 38.460 -0.169 0.000 1.166 484 Y HN 0.384 nan 8.280 nan 0.000 0.464 485 L N 7.768 128.658 121.223 -0.555 0.000 2.287 485 L HA 0.334 4.674 4.340 -0.000 0.000 0.280 485 L C -0.909 175.755 176.870 -0.343 0.000 1.055 485 L CA -0.362 54.296 54.840 -0.303 0.000 0.863 485 L CB -0.675 41.246 42.059 -0.230 0.000 1.245 485 L HN 0.458 nan 8.230 nan 0.000 0.432 486 F N 1.454 121.412 119.950 0.012 0.000 2.429 486 F HA 0.116 4.643 4.527 -0.000 0.000 0.348 486 F C 1.459 177.269 175.800 0.016 0.000 1.109 486 F CA -0.143 57.889 58.000 0.054 0.000 1.232 486 F CB 0.478 39.556 39.000 0.131 0.000 1.157 486 F HN 0.463 nan 8.300 nan 0.000 0.564 487 D N 1.257 121.765 120.400 0.180 0.000 2.389 487 D HA -0.112 4.528 4.640 -0.000 0.000 0.250 487 D C 1.188 177.558 176.300 0.116 0.000 1.136 487 D CA 0.617 54.674 54.000 0.095 0.000 0.945 487 D CB -0.459 40.376 40.800 0.057 0.000 0.890 487 D HN 0.461 nan 8.370 nan 0.000 0.525 488 N N -1.387 117.416 118.700 0.172 0.000 2.171 488 N HA 0.077 4.817 4.740 -0.000 0.000 0.212 488 N C 1.353 177.006 175.510 0.239 0.000 1.184 488 N CA 0.619 53.762 53.050 0.154 0.000 0.888 488 N CB 0.837 39.383 38.487 0.099 0.000 1.038 488 N HN 0.128 nan 8.380 nan 0.000 0.517 489 G N 0.184 109.129 108.800 0.243 0.000 2.279 489 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.223 489 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.223 489 G C -0.308 174.829 174.900 0.395 0.000 1.015 489 G CA 0.107 45.380 45.100 0.288 0.000 0.621 489 G HN 0.233 nan 8.290 nan 0.000 0.506 490 V N 2.223 122.361 119.914 0.374 0.000 2.508 490 V HA 0.563 4.683 4.120 -0.000 0.000 0.281 490 V C 0.741 177.087 176.094 0.420 0.000 1.041 490 V CA 1.163 63.657 62.300 0.323 0.000 1.016 490 V CB 1.283 33.162 31.823 0.093 0.000 0.984 490 V HN 0.939 nan 8.190 nan 0.000 0.478 491 T N 6.564 121.335 114.554 0.363 0.000 3.078 491 T HA 0.422 4.772 4.350 -0.000 0.000 0.328 491 T C -2.401 172.529 174.700 0.383 0.000 0.987 491 T CA -1.613 60.705 62.100 0.364 0.000 1.049 491 T CB 1.882 70.875 68.868 0.208 0.000 1.011 491 T HN 0.496 nan 8.240 nan 0.000 0.463 492 P HA 0.419 nan 4.420 nan 0.000 0.277 492 P C -1.118 176.439 177.300 0.428 0.000 1.276 492 P CA -0.070 63.240 63.100 0.351 0.000 0.788 492 P CB 0.478 32.359 31.700 0.302 0.000 1.114 493 Y N -2.686 117.744 120.300 0.217 0.000 2.810 493 Y HA 0.651 5.201 4.550 -0.000 0.000 0.355 493 Y C -1.989 174.084 175.900 0.289 0.000 1.211 493 Y CA -1.544 56.680 58.100 0.208 0.000 1.112 493 Y CB 0.310 38.837 38.460 0.111 0.000 1.383 493 Y HN 0.549 nan 8.280 nan 0.000 0.458 494 F N 0.635 120.686 119.950 0.169 0.000 2.713 494 F HA 0.894 5.421 4.527 -0.000 0.000 0.311 494 F C -1.507 174.437 175.800 0.240 0.000 1.141 494 F CA -0.207 57.841 58.000 0.080 0.000 0.939 494 F CB 1.727 40.762 39.000 0.059 0.000 1.325 494 F HN 1.322 nan 8.300 nan 0.000 0.453 495 S N 1.381 117.095 115.700 0.024 0.000 2.595 495 S HA 0.598 5.068 4.470 -0.000 0.000 0.270 495 S C -2.409 172.231 174.600 0.066 0.000 1.145 495 S CA -0.783 57.324 58.200 -0.156 0.000 0.825 495 S CB 1.566 64.718 63.200 -0.079 0.000 1.107 495 S HN 1.662 nan 8.310 nan 0.000 0.461 496 Y N 1.657 121.825 120.300 -0.220 0.000 2.346 496 Y HA 0.702 5.252 4.550 -0.000 0.000 0.332 496 Y C -0.735 174.835 175.900 -0.550 0.000 0.985 496 Y CA -0.000 57.847 58.100 -0.420 0.000 1.112 496 Y CB 1.849 40.035 38.460 -0.457 0.000 1.170 496 Y HN 1.211 nan 8.280 nan 0.000 0.447 497 S N 4.323 119.328 115.700 -1.158 0.000 2.569 497 S HA 0.764 5.234 4.470 -0.000 0.000 0.280 497 S C -1.359 172.645 174.600 -0.993 0.000 1.111 497 S CA -1.035 56.597 58.200 -0.947 0.000 0.887 497 S CB 2.541 65.426 63.200 -0.524 0.000 1.095 497 S HN 0.719 nan 8.310 nan 0.000 0.476 498 E N 0.594 120.350 120.200 -0.740 0.000 2.320 498 E HA 0.799 5.148 4.350 -0.000 0.000 0.264 498 E C -0.910 175.522 176.600 -0.280 0.000 0.923 498 E CA -1.091 55.017 56.400 -0.486 0.000 0.796 498 E CB 2.148 31.625 29.700 -0.371 0.000 1.262 498 E HN 0.859 nan 8.360 nan 0.000 0.428 499 S N 0.216 115.816 115.700 -0.168 0.000 2.615 499 S HA 0.748 5.218 4.470 -0.000 0.000 0.269 499 S C -1.402 173.230 174.600 0.054 0.000 1.161 499 S CA -1.035 57.115 58.200 -0.082 0.000 0.817 499 S CB 0.996 64.079 63.200 -0.196 0.000 1.131 499 S HN 0.553 nan 8.310 nan 0.000 0.467 500 F N -0.794 119.089 119.950 -0.112 0.000 2.613 500 F HA 0.875 5.402 4.527 -0.000 0.000 0.310 500 F C -0.923 174.844 175.800 -0.054 0.000 1.085 500 F CA -0.758 57.197 58.000 -0.074 0.000 0.945 500 F CB 1.742 40.705 39.000 -0.063 0.000 1.298 500 F HN 0.874 nan 8.300 nan 0.000 0.455 501 E N 3.899 124.061 120.200 -0.063 0.000 2.409 501 E HA 0.461 4.811 4.350 -0.000 0.000 0.259 501 E C -2.998 173.627 176.600 0.042 0.000 0.932 501 E CA -2.239 54.074 56.400 -0.145 0.000 0.809 501 E CB 1.918 31.545 29.700 -0.122 0.000 1.341 501 E HN 0.395 nan 8.360 nan 0.000 0.405 502 P HA -0.046 nan 4.420 nan 0.000 0.269 502 P C -0.808 176.562 177.300 0.117 0.000 1.211 502 P CA 0.014 63.206 63.100 0.153 0.000 0.781 502 P CB 0.970 32.767 31.700 0.162 0.000 0.877 503 S N 0.031 115.822 115.700 0.152 0.000 2.681 503 S HA 0.468 4.938 4.470 -0.000 0.000 0.299 503 S C 0.603 175.299 174.600 0.159 0.000 1.113 503 S CA -0.180 58.122 58.200 0.170 0.000 1.013 503 S CB 0.425 63.783 63.200 0.262 0.000 1.076 503 S HN 0.440 nan 8.310 nan 0.000 0.534 504 S N 1.294 117.090 115.700 0.160 0.000 2.780 504 S HA 0.314 4.784 4.470 -0.000 0.000 0.248 504 S C -0.228 174.459 174.600 0.145 0.000 1.036 504 S CA -0.586 57.691 58.200 0.127 0.000 1.061 504 S CB 0.129 63.391 63.200 0.104 0.000 1.037 504 S HN 0.629 nan 8.310 nan 0.000 0.584 505 Q N 1.588 121.532 119.800 0.240 0.000 2.259 505 Q HA 0.563 4.902 4.340 -0.000 0.000 0.246 505 Q C -0.435 175.643 176.000 0.129 0.000 0.920 505 Q CA -0.331 55.660 55.803 0.313 0.000 0.895 505 Q CB 1.912 30.984 28.738 0.556 0.000 1.220 505 Q HN 0.235 nan 8.270 nan 0.000 0.439 506 V N 0.416 120.349 119.914 0.032 0.000 2.667 506 V HA 0.775 4.895 4.120 -0.000 0.000 0.308 506 V C 0.509 176.504 176.094 -0.165 0.000 1.048 506 V CA -0.660 61.516 62.300 -0.207 0.000 0.928 506 V CB 1.768 33.584 31.823 -0.011 0.000 1.004 506 V HN 0.890 nan 8.190 nan 0.000 0.444 507 G N 1.188 109.739 108.800 -0.415 0.000 2.820 507 G HA2 0.448 4.408 3.960 -0.000 0.000 0.291 507 G HA3 0.448 4.408 3.960 -0.000 0.000 0.291 507 G C 0.381 175.193 174.900 -0.147 0.000 1.323 507 G CA -0.635 44.489 45.100 0.039 0.000 1.055 507 G HN 0.646 nan 8.290 nan 0.000 0.520 508 K N -0.209 119.866 120.400 -0.543 0.000 2.052 508 K HA -0.209 4.110 4.320 -0.000 0.000 0.215 508 K C 1.783 178.119 176.600 -0.440 0.000 1.053 508 K CA 2.223 57.963 56.287 -0.912 0.000 0.934 508 K CB -0.183 32.018 32.500 -0.498 0.000 0.717 508 K HN 0.644 nan 8.250 nan 0.000 0.450 509 D N -0.533 119.726 120.400 -0.236 0.000 2.379 509 D HA 0.025 4.665 4.640 -0.000 0.000 0.243 509 D C 0.764 176.996 176.300 -0.113 0.000 1.088 509 D CA 0.680 54.595 54.000 -0.142 0.000 0.925 509 D CB -0.264 40.481 40.800 -0.091 0.000 0.888 509 D HN 0.354 nan 8.370 nan 0.000 0.529 510 G N -0.186 108.544 108.800 -0.117 0.000 2.249 510 G HA2 -0.327 3.632 3.960 -0.000 0.000 0.273 510 G HA3 -0.327 3.632 3.960 -0.000 0.000 0.273 510 G C -0.415 174.441 174.900 -0.073 0.000 1.036 510 G CA 0.091 45.159 45.100 -0.053 0.000 0.824 510 G HN 0.566 nan 8.290 nan 0.000 0.504 511 N N -1.135 117.481 118.700 -0.140 0.000 2.240 511 N HA 0.599 5.339 4.740 -0.000 0.000 0.302 511 N C 0.061 175.399 175.510 -0.287 0.000 1.106 511 N CA -1.120 51.838 53.050 -0.154 0.000 0.778 511 N CB 1.584 40.000 38.487 -0.118 0.000 1.431 511 N HN 0.116 nan 8.380 nan 0.000 0.479 512 I N 2.294 122.754 120.570 -0.184 0.000 2.588 512 I HA 0.106 4.276 4.170 -0.000 0.000 0.283 512 I C 0.132 176.148 176.117 -0.169 0.000 1.119 512 I CA -0.111 61.078 61.300 -0.184 0.000 1.419 512 I CB 0.185 38.172 38.000 -0.023 0.000 1.394 512 I HN 0.340 nan 8.210 nan 0.000 0.562 513 F N 4.009 124.010 119.950 0.084 0.000 2.527 513 F HA 0.265 4.792 4.527 -0.000 0.000 0.316 513 F C 1.062 176.908 175.800 0.076 0.000 1.258 513 F CA -0.218 57.831 58.000 0.081 0.000 1.314 513 F CB 0.154 39.207 39.000 0.088 0.000 1.200 513 F HN 0.440 nan 8.300 nan 0.000 0.577 514 A N 1.580 124.578 122.820 0.297 0.000 2.322 514 A HA 0.496 4.816 4.320 -0.000 0.000 0.269 514 A C -2.357 175.337 177.584 0.183 0.000 1.094 514 A CA -1.596 50.554 52.037 0.187 0.000 0.807 514 A CB -0.436 18.652 19.000 0.147 0.000 1.047 514 A HN 0.455 nan 8.150 nan 0.000 0.487 515 P HA 0.116 nan 4.420 nan 0.000 0.271 515 P C 0.082 177.467 177.300 0.142 0.000 1.216 515 P CA 0.089 63.294 63.100 0.175 0.000 0.776 515 P CB 0.820 32.672 31.700 0.253 0.000 0.881 516 S N 2.870 118.637 115.700 0.113 0.000 2.624 516 S HA 0.388 4.858 4.470 -0.000 0.000 0.263 516 S C 0.053 174.701 174.600 0.080 0.000 1.287 516 S CA -0.345 57.903 58.200 0.080 0.000 0.990 516 S CB 0.892 64.125 63.200 0.055 0.000 0.950 516 S HN 0.409 nan 8.310 nan 0.000 0.561 517 K N -0.784 119.646 120.400 0.050 0.000 2.444 517 K HA 0.689 5.009 4.320 -0.000 0.000 0.252 517 K C -0.561 176.012 176.600 -0.045 0.000 0.993 517 K CA -0.922 55.386 56.287 0.036 0.000 0.847 517 K CB 2.280 34.819 32.500 0.064 0.000 1.340 517 K HN 0.842 nan 8.250 nan 0.000 0.446 518 G N 1.242 109.988 108.800 -0.090 0.000 2.643 518 G HA2 0.536 4.495 3.960 -0.000 0.000 0.305 518 G HA3 0.536 4.495 3.960 -0.000 0.000 0.305 518 G C -1.391 173.393 174.900 -0.193 0.000 1.387 518 G CA -0.438 44.549 45.100 -0.187 0.000 0.982 518 G HN 0.325 nan 8.290 nan 0.000 0.501 519 K N 1.074 121.368 120.400 -0.176 0.000 2.507 519 K HA 0.416 4.736 4.320 -0.000 0.000 0.251 519 K C -0.896 175.584 176.600 -0.201 0.000 0.943 519 K CA -0.616 55.540 56.287 -0.218 0.000 0.794 519 K CB 2.692 35.196 32.500 0.006 0.000 1.188 519 K HN 0.594 nan 8.250 nan 0.000 0.428 520 Q N 2.962 122.519 119.800 -0.405 0.000 2.372 520 Q HA 0.377 4.716 4.340 -0.000 0.000 0.273 520 Q C -1.680 174.153 176.000 -0.278 0.000 1.078 520 Q CA -0.765 54.909 55.803 -0.215 0.000 0.806 520 Q CB 1.439 30.060 28.738 -0.195 0.000 1.332 520 Q HN 0.546 nan 8.270 nan 0.000 0.435 521 Y N 1.143 121.517 120.300 0.123 0.000 2.393 521 Y HA 0.454 5.004 4.550 -0.000 0.000 0.341 521 Y C -0.419 175.595 175.900 0.190 0.000 0.988 521 Y CA -0.537 57.685 58.100 0.203 0.000 1.078 521 Y CB 2.201 40.788 38.460 0.213 0.000 1.203 521 Y HN 0.642 nan 8.280 nan 0.000 0.453 522 E N 2.130 122.528 120.200 0.330 0.000 2.331 522 E HA 0.745 5.095 4.350 -0.000 0.000 0.275 522 E C -2.131 174.587 176.600 0.197 0.000 0.895 522 E CA -0.673 55.883 56.400 0.260 0.000 0.753 522 E CB 2.057 31.892 29.700 0.225 0.000 1.216 522 E HN 0.434 nan 8.360 nan 0.000 0.434 523 V N 2.282 122.232 119.914 0.060 0.000 2.789 523 V HA 0.911 5.030 4.120 -0.000 0.000 0.311 523 V C 0.196 176.121 176.094 -0.281 0.000 1.073 523 V CA -0.035 62.201 62.300 -0.106 0.000 0.921 523 V CB 1.751 33.569 31.823 -0.009 0.000 1.009 523 V HN 0.852 nan 8.190 nan 0.000 0.426 524 G N 2.107 110.527 108.800 -0.634 0.000 2.554 524 G HA2 0.692 4.651 3.960 -0.000 0.000 0.306 524 G HA3 0.692 4.651 3.960 -0.000 0.000 0.306 524 G C -2.036 172.731 174.900 -0.221 0.000 1.320 524 G CA -0.370 44.501 45.100 -0.382 0.000 0.800 524 G HN 0.725 nan 8.290 nan 0.000 0.481 525 V N -0.175 119.820 119.914 0.134 0.000 2.971 525 V HA 0.681 4.801 4.120 -0.000 0.000 0.309 525 V C -0.867 175.420 176.094 0.322 0.000 1.130 525 V CA -1.002 61.453 62.300 0.259 0.000 0.964 525 V CB 2.230 34.150 31.823 0.162 0.000 1.029 525 V HN 0.759 nan 8.190 nan 0.000 0.427 526 K N 2.399 122.989 120.400 0.316 0.000 2.443 526 K HA 0.543 4.863 4.320 -0.000 0.000 0.252 526 K C -1.986 174.774 176.600 0.267 0.000 0.933 526 K CA -0.813 55.619 56.287 0.242 0.000 0.792 526 K CB 2.696 35.290 32.500 0.157 0.000 1.185 526 K HN 0.655 nan 8.250 nan 0.000 0.425 527 Y N 2.527 122.878 120.300 0.085 0.000 2.334 527 Y HA 0.398 4.948 4.550 -0.000 0.000 0.336 527 Y C -1.179 174.747 175.900 0.043 0.000 0.960 527 Y CA -1.101 57.039 58.100 0.066 0.000 1.164 527 Y CB 1.076 39.569 38.460 0.056 0.000 1.155 527 Y HN 0.260 nan 8.280 nan 0.000 0.478 528 V N 9.232 129.004 119.914 -0.237 0.000 2.538 528 V HA 0.292 4.411 4.120 -0.000 0.000 0.265 528 V C -2.418 173.501 176.094 -0.293 0.000 0.977 528 V CA -1.449 60.663 62.300 -0.313 0.000 0.852 528 V CB 1.176 32.921 31.823 -0.130 0.000 1.058 528 V HN 0.682 nan 8.190 nan 0.000 0.462 529 P HA 0.193 nan 4.420 nan 0.000 0.275 529 P C 0.478 177.705 177.300 -0.122 0.000 1.227 529 P CA -0.117 62.862 63.100 -0.203 0.000 0.781 529 P CB 1.121 32.697 31.700 -0.207 0.000 0.906 530 E N 1.607 121.772 120.200 -0.059 0.000 2.502 530 E HA -0.085 4.264 4.350 -0.000 0.000 0.194 530 E C 0.444 177.018 176.600 -0.043 0.000 1.062 530 E CA 0.359 56.728 56.400 -0.052 0.000 0.867 530 E CB -0.218 29.460 29.700 -0.037 0.000 0.888 530 E HN 0.460 nan 8.360 nan 0.000 0.510 531 D N 0.188 120.565 120.400 -0.037 0.000 2.394 531 D HA 0.019 4.659 4.640 -0.000 0.000 0.226 531 D C 0.889 177.168 176.300 -0.034 0.000 0.990 531 D CA -0.072 53.912 54.000 -0.027 0.000 0.902 531 D CB 0.100 40.895 40.800 -0.008 0.000 1.038 531 D HN -0.123 nan 8.370 nan 0.000 0.499 532 R N 0.997 121.468 120.500 -0.048 0.000 2.540 532 R HA 0.391 4.730 4.340 -0.000 0.000 0.287 532 R C -2.396 173.858 176.300 -0.076 0.000 0.980 532 R CA -1.989 54.081 56.100 -0.051 0.000 0.966 532 R CB 1.365 31.642 30.300 -0.039 0.000 1.106 532 R HN -0.051 nan 8.270 nan 0.000 0.480 533 P HA 0.237 nan 4.420 nan 0.000 0.214 533 P C -0.518 176.742 177.300 -0.067 0.000 1.807 533 P CA 0.071 63.133 63.100 -0.062 0.000 0.921 533 P CB -0.282 31.394 31.700 -0.041 0.000 1.835 534 I N -2.613 117.893 120.570 -0.107 0.000 2.740 534 I HA 0.717 4.886 4.170 -0.000 0.000 0.303 534 I C -1.325 174.700 176.117 -0.153 0.000 1.044 534 I CA -1.203 60.034 61.300 -0.105 0.000 1.064 534 I CB 2.593 40.539 38.000 -0.090 0.000 1.249 534 I HN -0.368 nan 8.210 nan 0.000 0.433 535 V N 6.087 125.950 119.914 -0.085 0.000 2.612 535 V HA 0.495 4.615 4.120 -0.000 0.000 0.301 535 V C -0.654 175.448 176.094 0.012 0.000 1.059 535 V CA -0.474 61.786 62.300 -0.066 0.000 0.886 535 V CB 1.839 33.632 31.823 -0.049 0.000 1.007 535 V HN 0.629 nan 8.190 nan 0.000 0.426 536 V N 3.631 123.581 119.914 0.060 0.000 2.638 536 V HA 0.737 4.857 4.120 -0.000 0.000 0.306 536 V C -0.153 176.030 176.094 0.147 0.000 1.052 536 V CA -0.255 62.122 62.300 0.128 0.000 0.885 536 V CB 2.507 34.448 31.823 0.197 0.000 0.999 536 V HN 0.915 nan 8.190 nan 0.000 0.424 537 T N 2.443 117.079 114.554 0.137 0.000 2.906 537 T HA 0.844 5.193 4.350 -0.000 0.000 0.295 537 T C -0.084 174.714 174.700 0.164 0.000 1.061 537 T CA -0.553 61.640 62.100 0.155 0.000 1.000 537 T CB 2.087 71.032 68.868 0.129 0.000 1.103 537 T HN 1.078 nan 8.240 nan 0.000 0.486 538 G N 0.015 108.926 108.800 0.184 0.000 2.706 538 G HA2 0.787 4.746 3.960 -0.000 0.000 0.297 538 G HA3 0.787 4.746 3.960 -0.000 0.000 0.297 538 G C -1.742 173.265 174.900 0.177 0.000 1.403 538 G CA -0.588 44.613 45.100 0.168 0.000 0.954 538 G HN 0.985 nan 8.290 nan 0.000 0.500 539 A N 0.070 122.995 122.820 0.174 0.000 2.605 539 A HA 0.816 5.136 4.320 -0.000 0.000 0.294 539 A C -1.556 176.138 177.584 0.183 0.000 1.062 539 A CA -0.528 51.611 52.037 0.170 0.000 0.682 539 A CB 1.735 20.880 19.000 0.241 0.000 1.278 539 A HN 1.527 nan 8.150 nan 0.000 0.410 540 V N 1.862 121.862 119.914 0.143 0.000 2.709 540 V HA 0.779 4.899 4.120 -0.000 0.000 0.308 540 V C -0.949 175.232 176.094 0.146 0.000 1.062 540 V CA -0.455 61.897 62.300 0.087 0.000 0.901 540 V CB 1.405 33.245 31.823 0.028 0.000 1.003 540 V HN 1.273 nan 8.190 nan 0.000 0.425 541 Y N 1.624 121.978 120.300 0.091 0.000 2.625 541 Y HA 0.766 5.315 4.550 -0.000 0.000 0.338 541 Y C -0.955 175.010 175.900 0.108 0.000 1.123 541 Y CA -1.673 56.487 58.100 0.100 0.000 1.046 541 Y CB 1.968 40.474 38.460 0.077 0.000 1.299 541 Y HN 0.539 nan 8.280 nan 0.000 0.464 542 N N 1.804 120.691 118.700 0.311 0.000 2.609 542 N HA 0.422 5.162 4.740 -0.000 0.000 0.268 542 N C -2.389 173.317 175.510 0.326 0.000 1.106 542 N CA -0.401 52.796 53.050 0.244 0.000 0.823 542 N CB 1.037 39.648 38.487 0.207 0.000 1.263 542 N HN 0.813 nan 8.380 nan 0.000 0.533 543 L N 2.715 124.160 121.223 0.370 0.000 2.309 543 L HA 0.766 5.106 4.340 -0.000 0.000 0.282 543 L C -0.512 176.466 176.870 0.179 0.000 1.036 543 L CA -0.105 54.858 54.840 0.204 0.000 0.806 543 L CB 1.694 43.846 42.059 0.156 0.000 1.220 543 L HN 0.517 nan 8.230 nan 0.000 0.429 544 T N 4.220 118.815 114.554 0.067 0.000 2.952 544 T HA 0.399 4.749 4.350 -0.000 0.000 0.305 544 T C -1.270 173.423 174.700 -0.012 0.000 1.064 544 T CA -0.769 61.390 62.100 0.097 0.000 1.008 544 T CB 0.809 69.750 68.868 0.122 0.000 1.078 544 T HN 0.755 nan 8.240 nan 0.000 0.459 545 K N 3.907 124.334 120.400 0.045 0.000 2.367 545 K HA 0.548 4.868 4.320 -0.000 0.000 0.263 545 K C 0.016 176.656 176.600 0.066 0.000 1.000 545 K CA -0.520 55.761 56.287 -0.010 0.000 0.891 545 K CB 0.864 33.394 32.500 0.050 0.000 1.117 545 K HN 0.826 nan 8.250 nan 0.000 0.443 546 T N 0.931 115.513 114.554 0.047 0.000 2.944 546 T HA 0.239 4.589 4.350 -0.000 0.000 0.284 546 T C 0.368 175.107 174.700 0.065 0.000 1.010 546 T CA -0.563 61.578 62.100 0.068 0.000 1.025 546 T CB 1.055 69.966 68.868 0.072 0.000 1.079 546 T HN 0.763 nan 8.240 nan 0.000 0.516 547 N N 0.170 118.910 118.700 0.067 0.000 2.754 547 N HA -0.211 4.529 4.740 -0.000 0.000 0.248 547 N C -0.635 174.903 175.510 0.048 0.000 1.093 547 N CA 0.719 53.804 53.050 0.060 0.000 0.699 547 N CB -1.862 36.667 38.487 0.071 0.000 1.016 547 N HN 0.898 nan 8.380 nan 0.000 0.552 548 N N -0.035 118.699 118.700 0.056 0.000 2.503 548 N HA 0.326 5.066 4.740 -0.000 0.000 0.267 548 N C -0.075 175.438 175.510 0.005 0.000 1.214 548 N CA -0.241 52.843 53.050 0.057 0.000 0.959 548 N CB 0.505 39.059 38.487 0.111 0.000 1.142 548 N HN 0.284 nan 8.380 nan 0.000 0.455 549 L N 2.989 124.191 121.223 -0.036 0.000 2.371 549 L HA 0.364 4.704 4.340 -0.000 0.000 0.272 549 L C 0.443 177.284 176.870 -0.049 0.000 1.124 549 L CA -0.262 54.493 54.840 -0.142 0.000 0.816 549 L CB 0.456 42.374 42.059 -0.235 0.000 1.129 549 L HN 0.630 nan 8.230 nan 0.000 0.448 550 M N 1.630 121.185 119.600 -0.075 0.000 2.755 550 M HA 0.750 5.230 4.480 -0.000 0.000 0.273 550 M C -0.873 175.402 176.300 -0.041 0.000 1.278 550 M CA -0.910 54.371 55.300 -0.032 0.000 0.819 550 M CB 1.871 34.456 32.600 -0.025 0.000 1.694 550 M HN 0.419 nan 8.290 nan 0.000 0.460 551 A N 1.230 124.015 122.820 -0.059 0.000 2.483 551 A HA 0.248 4.567 4.320 -0.000 0.000 0.238 551 A C -0.496 177.080 177.584 -0.014 0.000 1.070 551 A CA 0.189 52.203 52.037 -0.038 0.000 0.770 551 A CB -0.145 18.793 19.000 -0.102 0.000 1.008 551 A HN 0.807 nan 8.150 nan 0.000 0.497 552 D N 1.655 122.076 120.400 0.035 0.000 2.348 552 D HA 0.308 4.948 4.640 -0.000 0.000 0.253 552 D C -1.787 174.520 176.300 0.013 0.000 1.161 552 D CA -1.724 52.305 54.000 0.048 0.000 0.876 552 D CB 1.042 41.906 40.800 0.107 0.000 1.160 552 D HN 0.127 nan 8.370 nan 0.000 0.459 553 P HA -0.049 nan 4.420 nan 0.000 0.231 553 P C 0.413 177.708 177.300 -0.008 0.000 1.158 553 P CA 0.690 63.783 63.100 -0.012 0.000 0.763 553 P CB 0.384 32.079 31.700 -0.008 0.000 0.805 554 E N -1.488 118.714 120.200 0.004 0.000 2.201 554 E HA 0.161 4.511 4.350 -0.000 0.000 0.193 554 E C 1.342 177.935 176.600 -0.011 0.000 0.957 554 E CA 0.841 57.240 56.400 -0.001 0.000 0.858 554 E CB -0.628 29.077 29.700 0.009 0.000 0.816 554 E HN 0.110 nan 8.360 nan 0.000 0.475 555 G N 2.393 111.197 108.800 0.005 0.000 2.370 555 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.268 555 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.268 555 G C 0.375 175.258 174.900 -0.029 0.000 1.122 555 G CA 0.546 45.636 45.100 -0.016 0.000 0.963 555 G HN 0.300 nan 8.290 nan 0.000 0.500 556 S N -0.419 115.326 115.700 0.075 0.000 2.552 556 S HA 0.481 4.951 4.470 -0.000 0.000 0.246 556 S C 1.160 175.976 174.600 0.361 0.000 1.019 556 S CA 0.324 58.609 58.200 0.141 0.000 1.045 556 S CB -0.218 63.083 63.200 0.169 0.000 0.784 556 S HN 1.382 nan 8.310 nan 0.000 0.453 557 F N -0.838 119.196 119.950 0.139 0.000 2.890 557 F HA -0.215 4.312 4.527 -0.000 0.000 0.346 557 F C 0.022 175.821 175.800 -0.003 0.000 0.660 557 F CA 0.266 58.301 58.000 0.058 0.000 1.091 557 F CB -2.292 36.719 39.000 0.018 0.000 1.535 557 F HN 0.462 nan 8.300 nan 0.000 0.314 558 F N -0.775 119.319 119.950 0.241 0.000 2.509 558 F HA 0.572 5.099 4.527 -0.000 0.000 0.334 558 F C 0.807 176.709 175.800 0.170 0.000 1.060 558 F CA -0.424 57.697 58.000 0.203 0.000 0.997 558 F CB 1.521 40.636 39.000 0.192 0.000 1.271 558 F HN -0.257 nan 8.300 nan 0.000 0.488 559 S N 0.423 116.356 115.700 0.389 0.000 2.638 559 S HA 0.756 5.226 4.470 -0.000 0.000 0.298 559 S C -1.119 173.541 174.600 0.100 0.000 1.111 559 S CA -0.540 57.751 58.200 0.151 0.000 1.027 559 S CB 1.478 64.674 63.200 -0.006 0.000 1.064 559 S HN 0.515 nan 8.310 nan 0.000 0.525 560 V N 2.326 122.209 119.914 -0.051 0.000 3.158 560 V HA 0.665 4.785 4.120 -0.000 0.000 0.315 560 V C -0.518 175.464 176.094 -0.187 0.000 1.148 560 V CA -0.576 61.700 62.300 -0.040 0.000 1.042 560 V CB 1.980 33.822 31.823 0.032 0.000 1.101 560 V HN 1.067 nan 8.190 nan 0.000 0.448 561 E N 0.769 120.920 120.200 -0.080 0.000 2.446 561 E HA 0.616 4.966 4.350 -0.000 0.000 0.251 561 E C 0.593 177.190 176.600 -0.004 0.000 1.087 561 E CA -0.120 56.241 56.400 -0.065 0.000 0.937 561 E CB 1.278 30.997 29.700 0.031 0.000 1.254 561 E HN 1.278 nan 8.360 nan 0.000 0.479 562 G N -0.246 108.566 108.800 0.019 0.000 2.175 562 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.244 562 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.244 562 G C 0.507 175.433 174.900 0.044 0.000 0.982 562 G CA -0.185 44.937 45.100 0.037 0.000 0.641 562 G HN 0.725 nan 8.290 nan 0.000 0.527 563 G N -0.588 108.237 108.800 0.041 0.000 2.667 563 G HA2 0.515 4.475 3.960 -0.000 0.000 0.250 563 G HA3 0.515 4.475 3.960 -0.000 0.000 0.250 563 G C -0.216 174.744 174.900 0.100 0.000 1.212 563 G CA 0.629 45.774 45.100 0.075 0.000 0.874 563 G HN 0.735 nan 8.290 nan 0.000 0.561 564 E N -0.667 119.614 120.200 0.135 0.000 2.354 564 E HA 0.439 4.789 4.350 -0.000 0.000 0.283 564 E C -1.366 175.315 176.600 0.135 0.000 0.938 564 E CA -0.623 55.853 56.400 0.126 0.000 0.777 564 E CB 1.764 31.526 29.700 0.102 0.000 1.222 564 E HN 0.377 nan 8.360 nan 0.000 0.423 565 I N 3.055 123.693 120.570 0.113 0.000 2.545 565 I HA 0.498 4.668 4.170 -0.000 0.000 0.292 565 I C -0.428 175.759 176.117 0.116 0.000 1.040 565 I CA -0.973 60.338 61.300 0.019 0.000 1.068 565 I CB 1.921 39.855 38.000 -0.109 0.000 1.251 565 I HN 0.295 nan 8.210 nan 0.000 0.424 566 R N 4.662 125.189 120.500 0.045 0.000 2.534 566 R HA 0.844 5.184 4.340 -0.000 0.000 0.301 566 R C -1.725 174.615 176.300 0.066 0.000 0.961 566 R CA -0.524 55.638 56.100 0.103 0.000 0.871 566 R CB 2.026 32.369 30.300 0.071 0.000 1.170 566 R HN 0.776 nan 8.270 nan 0.000 0.446 567 A N 5.166 128.094 122.820 0.180 0.000 2.356 567 A HA 0.734 5.054 4.320 -0.000 0.000 0.310 567 A C -0.956 176.730 177.584 0.171 0.000 1.075 567 A CA -0.872 51.262 52.037 0.162 0.000 0.746 567 A CB 1.140 20.337 19.000 0.329 0.000 1.221 567 A HN 0.859 nan 8.150 nan 0.000 0.443 568 R N 1.530 122.004 120.500 -0.044 0.000 2.626 568 R HA 0.828 5.167 4.340 -0.000 0.000 0.274 568 R C -0.178 175.833 176.300 -0.481 0.000 1.031 568 R CA -0.296 55.604 56.100 -0.333 0.000 0.898 568 R CB 1.640 31.857 30.300 -0.139 0.000 1.222 568 R HN 1.554 nan 8.270 nan 0.000 0.455 569 G N 0.697 108.955 108.800 -0.903 0.000 2.489 569 G HA2 0.471 4.431 3.960 -0.000 0.000 0.305 569 G HA3 0.471 4.431 3.960 -0.000 0.000 0.305 569 G C -1.840 172.965 174.900 -0.159 0.000 1.311 569 G CA -0.566 44.332 45.100 -0.337 0.000 0.813 569 G HN 0.402 nan 8.290 nan 0.000 0.480 570 V N 0.029 120.063 119.914 0.199 0.000 2.735 570 V HA 0.741 4.860 4.120 -0.000 0.000 0.310 570 V C -0.607 175.656 176.094 0.282 0.000 1.061 570 V CA -0.682 61.764 62.300 0.244 0.000 0.913 570 V CB 1.816 33.806 31.823 0.277 0.000 1.005 570 V HN 0.794 nan 8.190 nan 0.000 0.428 571 E N 3.124 123.484 120.200 0.268 0.000 2.292 571 E HA 0.701 5.051 4.350 -0.000 0.000 0.272 571 E C -1.436 175.299 176.600 0.226 0.000 0.881 571 E CA -0.667 55.869 56.400 0.226 0.000 0.754 571 E CB 3.038 32.849 29.700 0.186 0.000 1.201 571 E HN 0.662 nan 8.360 nan 0.000 0.425 572 I N 0.246 120.958 120.570 0.236 0.000 2.571 572 I HA 0.481 4.651 4.170 -0.000 0.000 0.289 572 I C -1.515 174.713 176.117 0.185 0.000 1.115 572 I CA -0.120 61.303 61.300 0.206 0.000 1.045 572 I CB 1.904 40.029 38.000 0.209 0.000 1.238 572 I HN 0.544 nan 8.210 nan 0.000 0.424 573 E N 5.491 125.781 120.200 0.149 0.000 2.317 573 E HA 0.885 5.234 4.350 -0.000 0.000 0.270 573 E C -1.857 174.814 176.600 0.118 0.000 0.885 573 E CA -1.148 55.330 56.400 0.131 0.000 0.760 573 E CB 2.110 31.872 29.700 0.103 0.000 1.227 573 E HN 0.973 nan 8.360 nan 0.000 0.434 574 A N 3.698 126.588 122.820 0.115 0.000 2.455 574 A HA 0.707 5.026 4.320 -0.000 0.000 0.300 574 A C -1.408 176.229 177.584 0.089 0.000 1.040 574 A CA -0.734 51.363 52.037 0.101 0.000 0.697 574 A CB 1.528 20.593 19.000 0.109 0.000 1.265 574 A HN 0.523 nan 8.150 nan 0.000 0.407 575 K N 1.176 121.614 120.400 0.064 0.000 2.565 575 K HA 0.642 4.962 4.320 -0.000 0.000 0.251 575 K C -1.219 175.400 176.600 0.032 0.000 0.956 575 K CA -0.621 55.697 56.287 0.052 0.000 0.809 575 K CB 2.879 35.398 32.500 0.031 0.000 1.267 575 K HN 0.970 nan 8.250 nan 0.000 0.438 576 R N 0.737 121.260 120.500 0.039 0.000 2.728 576 R HA 0.309 4.648 4.340 -0.000 0.000 0.259 576 R C -3.298 173.021 176.300 0.031 0.000 1.057 576 R CA -1.539 54.574 56.100 0.022 0.000 0.908 576 R CB 1.495 31.805 30.300 0.016 0.000 1.259 576 R HN 0.229 nan 8.270 nan 0.000 0.472 577 P HA 0.197 nan 4.420 nan 0.000 0.231 577 P C 0.304 177.616 177.300 0.020 0.000 1.772 577 P CA -0.597 62.517 63.100 0.023 0.000 1.167 577 P CB 0.875 32.582 31.700 0.012 0.000 1.691 578 L N 1.208 122.449 121.223 0.029 0.000 2.137 578 L HA -0.140 4.200 4.340 -0.000 0.000 0.213 578 L C 1.530 178.415 176.870 0.025 0.000 1.085 578 L CA 2.006 56.864 54.840 0.029 0.000 0.760 578 L CB -1.185 40.897 42.059 0.038 0.000 0.893 578 L HN 0.430 nan 8.230 nan 0.000 0.434 579 S N -3.801 111.917 115.700 0.029 0.000 2.819 579 S HA 0.707 5.176 4.470 -0.000 0.000 0.299 579 S C 0.562 175.182 174.600 0.033 0.000 1.192 579 S CA -0.334 57.883 58.200 0.028 0.000 0.847 579 S CB 1.146 64.373 63.200 0.044 0.000 1.224 579 S HN -0.061 nan 8.310 nan 0.000 0.537 580 A N 0.588 123.435 122.820 0.044 0.000 2.167 580 A HA 0.233 4.553 4.320 -0.000 0.000 0.214 580 A C 1.678 179.394 177.584 0.220 0.000 1.151 580 A CA 1.232 53.316 52.037 0.079 0.000 0.735 580 A CB -0.913 18.064 19.000 -0.039 0.000 0.802 580 A HN 1.321 nan 8.150 nan 0.000 0.467 581 S N -2.074 113.702 115.700 0.127 0.000 2.603 581 S HA 0.451 4.921 4.470 -0.000 0.000 0.232 581 S C -0.095 174.358 174.600 -0.246 0.000 1.016 581 S CA -0.154 57.951 58.200 -0.158 0.000 0.976 581 S CB 0.302 63.247 63.200 -0.425 0.000 0.921 581 S HN 0.083 nan 8.310 nan 0.000 0.516 582 V N 2.848 122.734 119.914 -0.046 0.000 2.569 582 V HA 0.517 4.637 4.120 -0.000 0.000 0.301 582 V C -1.327 174.789 176.094 0.036 0.000 1.044 582 V CA -0.789 61.521 62.300 0.017 0.000 0.874 582 V CB 1.852 33.725 31.823 0.084 0.000 1.002 582 V HN 0.346 nan 8.190 nan 0.000 0.424 583 N N 2.809 121.541 118.700 0.054 0.000 2.314 583 N HA 0.776 5.516 4.740 -0.000 0.000 0.304 583 N C -1.272 174.302 175.510 0.107 0.000 1.073 583 N CA -0.345 52.755 53.050 0.084 0.000 0.822 583 N CB 2.801 41.356 38.487 0.114 0.000 1.280 583 N HN 0.370 nan 8.380 nan 0.000 0.489 584 V N 1.451 121.432 119.914 0.112 0.000 2.760 584 V HA 0.524 4.644 4.120 -0.000 0.000 0.309 584 V C -0.557 175.629 176.094 0.152 0.000 1.077 584 V CA -0.704 61.671 62.300 0.125 0.000 0.910 584 V CB 2.348 34.218 31.823 0.079 0.000 1.008 584 V HN 0.331 nan 8.190 nan 0.000 0.424 585 V N 2.619 122.658 119.914 0.209 0.000 2.686 585 V HA 1.006 5.125 4.120 -0.000 0.000 0.306 585 V C 0.202 176.426 176.094 0.216 0.000 1.065 585 V CA -0.070 62.337 62.300 0.178 0.000 0.894 585 V CB 1.934 33.830 31.823 0.121 0.000 1.004 585 V HN 1.126 nan 8.190 nan 0.000 0.424 586 G N 2.154 111.072 108.800 0.197 0.000 2.703 586 G HA2 0.761 4.721 3.960 -0.000 0.000 0.294 586 G HA3 0.761 4.721 3.960 -0.000 0.000 0.294 586 G C -1.072 173.950 174.900 0.204 0.000 1.451 586 G CA 0.087 45.322 45.100 0.225 0.000 0.869 586 G HN 1.196 nan 8.290 nan 0.000 0.516 587 S N -0.620 115.212 115.700 0.220 0.000 2.596 587 S HA 0.813 5.282 4.470 -0.000 0.000 0.270 587 S C -1.798 172.948 174.600 0.244 0.000 1.155 587 S CA -0.891 57.429 58.200 0.201 0.000 0.827 587 S CB 2.158 65.453 63.200 0.159 0.000 1.130 587 S HN 1.811 nan 8.310 nan 0.000 0.467 588 Y N 0.318 120.689 120.300 0.118 0.000 2.504 588 Y HA 0.682 5.231 4.550 -0.000 0.000 0.344 588 Y C -1.301 174.680 175.900 0.136 0.000 1.023 588 Y CA -0.160 58.017 58.100 0.128 0.000 1.020 588 Y CB 2.340 40.873 38.460 0.121 0.000 1.282 588 Y HN 0.950 nan 8.280 nan 0.000 0.454 589 T N 5.879 119.890 114.554 -0.905 0.000 2.971 589 T HA 0.311 4.661 4.350 -0.000 0.000 0.304 589 T C -2.296 172.008 174.700 -0.660 0.000 1.038 589 T CA -0.530 61.248 62.100 -0.538 0.000 1.007 589 T CB 0.950 69.672 68.868 -0.243 0.000 1.055 589 T HN 0.488 nan 8.240 nan 0.000 0.451 590 Y N 2.365 122.449 120.300 -0.361 0.000 2.338 590 Y HA 0.650 5.200 4.550 -0.000 0.000 0.333 590 Y C -0.514 175.297 175.900 -0.149 0.000 0.968 590 Y CA -0.642 57.322 58.100 -0.226 0.000 1.123 590 Y CB 1.830 40.335 38.460 0.074 0.000 1.165 590 Y HN 0.647 nan 8.280 nan 0.000 0.452 591 T N 4.386 118.344 114.554 -0.993 0.000 2.937 591 T HA 0.313 4.663 4.350 -0.000 0.000 0.297 591 T C -1.991 172.243 174.700 -0.777 0.000 0.991 591 T CA -0.647 61.046 62.100 -0.680 0.000 0.990 591 T CB 0.799 69.504 68.868 -0.272 0.000 0.991 591 T HN 0.716 nan 8.240 nan 0.000 0.440 592 D N 3.938 123.973 120.400 -0.609 0.000 2.464 592 D HA 0.614 5.254 4.640 -0.000 0.000 0.243 592 D C -0.164 176.018 176.300 -0.195 0.000 1.104 592 D CA -0.336 53.453 54.000 -0.352 0.000 0.883 592 D CB 0.835 41.531 40.800 -0.174 0.000 1.050 592 D HN 0.801 nan 8.370 nan 0.000 0.524 593 A N 3.493 126.191 122.820 -0.203 0.000 2.312 593 A HA 0.756 5.076 4.320 -0.000 0.000 0.328 593 A C -0.316 177.146 177.584 -0.204 0.000 1.158 593 A CA -0.609 51.296 52.037 -0.219 0.000 0.821 593 A CB 1.070 19.870 19.000 -0.332 0.000 1.170 593 A HN 0.591 nan 8.150 nan 0.000 0.490 594 E N 0.879 120.953 120.200 -0.210 0.000 2.380 594 E HA 0.353 4.702 4.350 -0.000 0.000 0.281 594 E C -1.980 174.527 176.600 -0.156 0.000 0.999 594 E CA -0.532 55.778 56.400 -0.151 0.000 0.800 594 E CB 1.084 30.757 29.700 -0.045 0.000 1.228 594 E HN 0.597 nan 8.360 nan 0.000 0.436 595 Y N 1.630 121.909 120.300 -0.035 0.000 2.436 595 Y HA 0.102 4.652 4.550 -0.000 0.000 0.343 595 Y C 1.632 177.541 175.900 0.015 0.000 1.008 595 Y CA 0.547 58.650 58.100 0.006 0.000 1.241 595 Y CB 1.375 39.854 38.460 0.033 0.000 1.153 595 Y HN 0.563 nan 8.280 nan 0.000 0.521 596 T N -2.344 112.300 114.554 0.151 0.000 3.044 596 T HA 0.157 4.506 4.350 -0.000 0.000 0.250 596 T C 0.320 175.081 174.700 0.101 0.000 1.081 596 T CA 0.123 62.286 62.100 0.104 0.000 1.040 596 T CB 0.068 68.983 68.868 0.078 0.000 0.962 596 T HN 0.528 nan 8.240 nan 0.000 0.506 597 T N 2.243 116.876 114.554 0.131 0.000 3.755 597 T HA 0.362 4.712 4.350 -0.000 0.000 0.327 597 T C -2.077 172.685 174.700 0.104 0.000 0.801 597 T CA -0.724 61.432 62.100 0.094 0.000 1.026 597 T CB 1.280 70.194 68.868 0.077 0.000 1.040 597 T HN 0.322 nan 8.240 nan 0.000 0.470 598 D N 2.247 122.678 120.400 0.052 0.000 2.861 598 D HA 0.122 4.762 4.640 -0.000 0.000 0.216 598 D C 1.173 177.410 176.300 -0.106 0.000 1.323 598 D CA -0.381 53.610 54.000 -0.015 0.000 0.917 598 D CB 2.007 42.781 40.800 -0.043 0.000 1.582 598 D HN 0.490 nan 8.370 nan 0.000 0.576 599 T N 0.172 114.658 114.554 -0.113 0.000 3.118 599 T HA -0.071 4.279 4.350 -0.000 0.000 0.269 599 T C 1.023 175.587 174.700 -0.226 0.000 1.166 599 T CA 1.389 63.411 62.100 -0.131 0.000 1.073 599 T CB -0.012 68.797 68.868 -0.098 0.000 0.884 599 T HN 0.348 nan 8.240 nan 0.000 0.550 600 T N -1.075 113.247 114.554 -0.387 0.000 3.168 600 T HA 0.208 4.558 4.350 -0.000 0.000 0.261 600 T C -0.006 174.289 174.700 -0.675 0.000 0.931 600 T CA -0.300 61.427 62.100 -0.621 0.000 0.949 600 T CB 0.258 68.516 68.868 -1.016 0.000 1.229 600 T HN 0.425 nan 8.240 nan 0.000 0.504 601 Y N 1.858 121.965 120.300 -0.321 0.000 2.720 601 Y HA 0.502 5.051 4.550 -0.000 0.000 0.268 601 Y C 0.448 176.154 175.900 -0.324 0.000 1.142 601 Y CA -1.602 56.227 58.100 -0.451 0.000 1.193 601 Y CB -0.109 37.795 38.460 -0.926 0.000 1.176 601 Y HN -0.010 nan 8.280 nan 0.000 0.542 602 K N 0.928 121.290 120.400 -0.063 0.000 2.447 602 K HA 0.310 4.630 4.320 -0.000 0.000 0.281 602 K C 1.252 177.881 176.600 0.049 0.000 1.031 602 K CA 1.382 57.691 56.287 0.036 0.000 1.019 602 K CB -0.095 32.411 32.500 0.011 0.000 0.918 602 K HN 0.628 nan 8.250 nan 0.000 0.476 603 G N 2.953 111.811 108.800 0.097 0.000 2.258 603 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.233 603 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.233 603 G C -0.050 174.871 174.900 0.034 0.000 1.006 603 G CA 0.097 45.229 45.100 0.053 0.000 0.620 603 G HN 0.724 nan 8.290 nan 0.000 0.511 604 N N 0.743 119.485 118.700 0.070 0.000 2.379 604 N HA 0.532 5.272 4.740 -0.000 0.000 0.260 604 N C 0.167 175.712 175.510 0.058 0.000 1.254 604 N CA 0.477 53.514 53.050 -0.023 0.000 0.958 604 N CB 0.605 39.055 38.487 -0.062 0.000 1.208 604 N HN 0.408 nan 8.380 nan 0.000 0.532 605 T N -1.761 112.687 114.554 -0.177 0.000 2.829 605 T HA 0.404 4.754 4.350 -0.000 0.000 0.280 605 T C -2.821 171.802 174.700 -0.128 0.000 0.999 605 T CA -2.197 59.802 62.100 -0.168 0.000 0.983 605 T CB 1.714 70.493 68.868 -0.148 0.000 0.968 605 T HN 0.140 nan 8.240 nan 0.000 0.446 606 P HA 0.290 nan 4.420 nan 0.000 0.266 606 P C -0.210 177.024 177.300 -0.111 0.000 1.193 606 P CA -0.125 62.875 63.100 -0.166 0.000 0.770 606 P CB 0.184 31.675 31.700 -0.348 0.000 0.836 607 A N 2.921 125.686 122.820 -0.092 0.000 2.366 607 A HA 0.116 4.436 4.320 -0.000 0.000 0.249 607 A C 0.704 178.253 177.584 -0.059 0.000 1.084 607 A CA 0.058 52.047 52.037 -0.080 0.000 0.794 607 A CB -0.459 18.476 19.000 -0.110 0.000 1.034 607 A HN 0.715 nan 8.150 nan 0.000 0.491 608 Q N -2.083 117.687 119.800 -0.050 0.000 2.362 608 Q HA -0.157 4.183 4.340 -0.000 0.000 0.220 608 Q C -0.607 175.363 176.000 -0.050 0.000 0.713 608 Q CA 0.976 56.768 55.803 -0.018 0.000 1.345 608 Q CB -1.973 26.788 28.738 0.038 0.000 1.570 608 Q HN 0.509 nan 8.270 nan 0.000 0.701 609 V N 2.336 122.200 119.914 -0.083 0.000 2.313 609 V HA 0.358 4.477 4.120 -0.000 0.000 0.278 609 V C -1.561 174.457 176.094 -0.127 0.000 1.017 609 V CA -1.186 61.041 62.300 -0.122 0.000 0.823 609 V CB 1.107 32.826 31.823 -0.173 0.000 1.010 609 V HN 0.037 nan 8.190 nan 0.000 0.443 610 P HA 0.290 nan 4.420 nan 0.000 0.281 610 P C 0.157 177.324 177.300 -0.222 0.000 1.249 610 P CA -0.566 62.425 63.100 -0.181 0.000 0.810 610 P CB 2.112 33.681 31.700 -0.217 0.000 1.008 611 K N 0.838 121.103 120.400 -0.225 0.000 2.137 611 K HA -0.007 4.313 4.320 -0.000 0.000 0.202 611 K C 0.469 176.723 176.600 -0.577 0.000 1.052 611 K CA 0.810 56.858 56.287 -0.398 0.000 0.961 611 K CB 0.149 32.484 32.500 -0.275 0.000 0.741 611 K HN 0.554 nan 8.250 nan 0.000 0.452 612 H N -0.498 118.526 119.070 -0.076 0.000 2.690 612 H HA 0.428 4.984 4.556 -0.000 0.000 0.368 612 H C -0.721 174.537 175.328 -0.116 0.000 1.150 612 H CA -0.598 55.441 56.048 -0.015 0.000 1.174 612 H CB 1.705 31.606 29.762 0.232 0.000 1.684 612 H HN 0.043 nan 8.280 nan 0.000 0.538 613 M N 1.067 120.650 119.600 -0.028 0.000 2.520 613 M HA 0.623 5.103 4.480 -0.000 0.000 0.280 613 M C -1.360 174.950 176.300 0.016 0.000 1.232 613 M CA -0.712 54.543 55.300 -0.074 0.000 0.892 613 M CB 3.386 35.885 32.600 -0.168 0.000 1.728 613 M HN 0.732 nan 8.290 nan 0.000 0.475 614 A N 1.278 124.174 122.820 0.126 0.000 2.599 614 A HA 0.872 5.192 4.320 -0.000 0.000 0.294 614 A C -1.362 176.313 177.584 0.151 0.000 1.055 614 A CA -0.518 51.633 52.037 0.189 0.000 0.683 614 A CB 1.665 20.863 19.000 0.330 0.000 1.278 614 A HN 0.933 nan 8.150 nan 0.000 0.412 615 S N 0.019 115.823 115.700 0.172 0.000 2.550 615 S HA 0.825 5.294 4.470 -0.000 0.000 0.270 615 S C -1.518 173.265 174.600 0.305 0.000 1.145 615 S CA -0.639 57.677 58.200 0.193 0.000 0.852 615 S CB 1.533 64.791 63.200 0.096 0.000 1.119 615 S HN 2.239 nan 8.310 nan 0.000 0.465 616 L N 2.047 123.495 121.223 0.375 0.000 2.526 616 L HA 0.815 5.155 4.340 -0.000 0.000 0.263 616 L C -1.914 175.206 176.870 0.416 0.000 0.943 616 L CA -0.107 54.930 54.840 0.328 0.000 0.859 616 L CB 1.877 44.053 42.059 0.195 0.000 1.313 616 L HN 1.012 nan 8.230 nan 0.000 0.406 617 W N 6.142 127.530 121.300 0.147 0.000 3.032 617 W HA 0.871 5.531 4.660 -0.000 0.000 0.335 617 W C -1.945 174.598 176.519 0.041 0.000 1.154 617 W CA -0.410 56.981 57.345 0.076 0.000 1.204 617 W CB 2.369 31.759 29.460 -0.116 0.000 1.416 617 W HN 0.953 nan 8.180 nan 0.000 0.521 618 A N 3.621 125.794 122.820 -1.078 0.000 2.566 618 A HA 0.575 4.895 4.320 -0.000 0.000 0.297 618 A C -1.898 175.214 177.584 -0.786 0.000 1.059 618 A CA -0.604 51.054 52.037 -0.631 0.000 0.691 618 A CB 1.682 20.518 19.000 -0.274 0.000 1.282 618 A HN 0.603 nan 8.150 nan 0.000 0.401 619 D N -0.441 119.803 120.400 -0.259 0.000 2.732 619 D HA 0.589 5.229 4.640 -0.000 0.000 0.229 619 D C -1.114 175.200 176.300 0.023 0.000 1.152 619 D CA -0.430 53.517 54.000 -0.088 0.000 0.854 619 D CB 1.352 42.250 40.800 0.164 0.000 1.590 619 D HN 0.550 nan 8.370 nan 0.000 0.468 620 Y N 0.344 120.586 120.300 -0.096 0.000 2.462 620 Y HA 0.613 5.163 4.550 -0.000 0.000 0.346 620 Y C -1.275 174.538 175.900 -0.144 0.000 0.976 620 Y CA -0.478 57.534 58.100 -0.147 0.000 1.044 620 Y CB 2.592 40.929 38.460 -0.206 0.000 1.230 620 Y HN 0.532 nan 8.280 nan 0.000 0.455 621 T N 6.647 120.626 114.554 -0.959 0.000 2.812 621 T HA 0.438 4.788 4.350 -0.000 0.000 0.282 621 T C -1.244 172.737 174.700 -1.197 0.000 0.990 621 T CA -0.401 61.233 62.100 -0.777 0.000 0.960 621 T CB 0.259 68.712 68.868 -0.691 0.000 0.948 621 T HN 0.333 nan 8.240 nan 0.000 0.438 622 F N 2.185 121.741 119.950 -0.656 0.000 2.410 622 F HA 0.446 4.973 4.527 -0.000 0.000 0.348 622 F C 0.594 176.090 175.800 -0.506 0.000 1.106 622 F CA -1.148 56.606 58.000 -0.410 0.000 1.163 622 F CB 0.551 39.514 39.000 -0.062 0.000 1.129 622 F HN 0.591 nan 8.300 nan 0.000 0.516 623 F N 0.003 120.007 119.950 0.090 0.000 2.724 623 F HA 0.228 4.755 4.527 -0.000 0.000 0.306 623 F C 0.442 176.290 175.800 0.080 0.000 1.100 623 F CA -0.259 57.769 58.000 0.047 0.000 1.255 623 F CB 0.021 39.012 39.000 -0.015 0.000 1.072 623 F HN 0.359 nan 8.300 nan 0.000 0.589 624 D N -1.941 118.624 120.400 0.275 0.000 2.801 624 D HA 0.596 5.235 4.640 -0.000 0.000 0.277 624 D C 0.210 176.633 176.300 0.206 0.000 1.125 624 D CA 0.351 54.475 54.000 0.206 0.000 1.102 624 D CB 1.064 41.969 40.800 0.174 0.000 1.400 624 D HN 0.143 nan 8.370 nan 0.000 0.601 625 G N 0.120 109.012 108.800 0.153 0.000 2.752 625 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.234 625 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.234 625 G C -1.686 173.267 174.900 0.087 0.000 1.367 625 G CA -0.151 45.026 45.100 0.128 0.000 0.879 625 G HN 0.465 nan 8.290 nan 0.000 0.563 626 P HA 0.047 nan 4.420 nan 0.000 0.229 626 P C 1.754 179.041 177.300 -0.023 0.000 1.160 626 P CA 1.028 64.135 63.100 0.012 0.000 0.777 626 P CB 0.035 31.731 31.700 -0.007 0.000 0.814 627 L N -0.672 120.502 121.223 -0.083 0.000 2.591 627 L HA 0.115 4.455 4.340 -0.000 0.000 0.228 627 L C 1.320 178.154 176.870 -0.060 0.000 1.133 627 L CA -0.192 54.512 54.840 -0.225 0.000 0.880 627 L CB -0.661 40.936 42.059 -0.769 0.000 1.033 627 L HN -0.067 nan 8.230 nan 0.000 0.450 628 S N 0.789 116.533 115.700 0.074 0.000 2.711 628 S HA 0.044 4.514 4.470 -0.000 0.000 0.320 628 S C 1.451 176.111 174.600 0.099 0.000 1.240 628 S CA 0.970 59.244 58.200 0.123 0.000 1.034 628 S CB 0.134 63.406 63.200 0.119 0.000 0.741 628 S HN 0.744 nan 8.310 nan 0.000 0.496 629 G N 2.779 111.603 108.800 0.040 0.000 2.148 629 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.254 629 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.254 629 G C -0.130 174.774 174.900 0.007 0.000 0.981 629 G CA 0.260 45.325 45.100 -0.058 0.000 0.670 629 G HN 0.761 nan 8.290 nan 0.000 0.528 630 L N 1.349 122.631 121.223 0.098 0.000 2.307 630 L HA 0.774 5.114 4.340 -0.000 0.000 0.284 630 L C -0.181 176.773 176.870 0.139 0.000 1.023 630 L CA 0.129 55.054 54.840 0.142 0.000 0.810 630 L CB 1.544 43.610 42.059 0.011 0.000 1.231 630 L HN 0.061 nan 8.230 nan 0.000 0.423 631 T N 6.247 120.860 114.554 0.099 0.000 2.824 631 T HA 0.636 4.986 4.350 -0.000 0.000 0.282 631 T C -0.314 174.448 174.700 0.104 0.000 0.993 631 T CA -0.348 61.799 62.100 0.078 0.000 0.967 631 T CB 1.429 70.303 68.868 0.011 0.000 0.960 631 T HN 0.400 nan 8.240 nan 0.000 0.441 632 L N 2.422 123.732 121.223 0.146 0.000 2.385 632 L HA 0.869 5.209 4.340 -0.000 0.000 0.273 632 L C 0.440 177.328 176.870 0.030 0.000 0.990 632 L CA -0.769 54.131 54.840 0.101 0.000 0.821 632 L CB 2.142 44.290 42.059 0.149 0.000 1.279 632 L HN 0.795 nan 8.230 nan 0.000 0.412 633 G N 0.696 109.473 108.800 -0.039 0.000 2.672 633 G HA2 0.848 4.808 3.960 -0.000 0.000 0.292 633 G HA3 0.848 4.808 3.960 -0.000 0.000 0.292 633 G C -1.351 173.244 174.900 -0.509 0.000 1.375 633 G CA -0.368 44.532 45.100 -0.332 0.000 0.890 633 G HN 0.424 nan 8.290 nan 0.000 0.476 634 T N -1.441 112.451 114.554 -1.102 0.000 2.893 634 T HA 0.733 5.083 4.350 -0.000 0.000 0.337 634 T C -0.257 174.089 174.700 -0.591 0.000 1.587 634 T CA 0.049 61.806 62.100 -0.571 0.000 1.066 634 T CB 1.755 70.489 68.868 -0.224 0.000 1.414 634 T HN 1.659 nan 8.240 nan 0.000 0.488 635 G N -0.632 108.219 108.800 0.085 0.000 2.600 635 G HA2 0.755 4.715 3.960 -0.000 0.000 0.293 635 G HA3 0.755 4.715 3.960 -0.000 0.000 0.293 635 G C -1.165 173.952 174.900 0.361 0.000 1.408 635 G CA -0.107 45.210 45.100 0.362 0.000 0.782 635 G HN 0.987 nan 8.290 nan 0.000 0.482 636 G N -0.892 108.117 108.800 0.349 0.000 2.659 636 G HA2 0.677 4.637 3.960 -0.000 0.000 0.296 636 G HA3 0.677 4.637 3.960 -0.000 0.000 0.296 636 G C -1.489 173.487 174.900 0.126 0.000 1.369 636 G CA -0.832 44.396 45.100 0.215 0.000 0.937 636 G HN 0.552 nan 8.290 nan 0.000 0.485 637 R N 0.144 120.657 120.500 0.022 0.000 2.483 637 R HA 0.345 4.685 4.340 -0.000 0.000 0.303 637 R C -1.734 174.564 176.300 -0.005 0.000 0.987 637 R CA -0.742 55.303 56.100 -0.092 0.000 0.881 637 R CB 2.222 32.339 30.300 -0.304 0.000 1.177 637 R HN 0.607 nan 8.270 nan 0.000 0.451 638 Y N 1.805 122.042 120.300 -0.104 0.000 2.331 638 Y HA 0.455 5.005 4.550 -0.000 0.000 0.338 638 Y C -0.832 174.931 175.900 -0.229 0.000 0.992 638 Y CA -0.325 57.692 58.100 -0.138 0.000 1.121 638 Y CB 1.730 40.152 38.460 -0.063 0.000 1.184 638 Y HN 0.461 nan 8.280 nan 0.000 0.469 639 T N 6.063 119.921 114.554 -1.160 0.000 2.786 639 T HA 0.481 4.831 4.350 -0.000 0.000 0.283 639 T C 0.404 174.278 174.700 -1.378 0.000 0.992 639 T CA -0.347 61.062 62.100 -1.151 0.000 0.954 639 T CB 1.021 69.127 68.868 -1.271 0.000 0.934 639 T HN 1.006 nan 8.240 nan 0.000 0.440 640 G N 2.304 110.548 108.800 -0.928 0.000 2.683 640 G HA2 0.396 4.356 3.960 -0.000 0.000 0.260 640 G HA3 0.396 4.356 3.960 -0.000 0.000 0.260 640 G C 0.447 175.118 174.900 -0.381 0.000 1.238 640 G CA -0.606 44.187 45.100 -0.512 0.000 0.934 640 G HN 0.819 nan 8.290 nan 0.000 0.534 641 S N -1.364 114.218 115.700 -0.197 0.000 2.624 641 S HA 0.657 5.127 4.470 -0.000 0.000 0.263 641 S C 0.256 174.720 174.600 -0.227 0.000 1.287 641 S CA 0.283 58.369 58.200 -0.189 0.000 0.990 641 S CB 1.357 64.467 63.200 -0.149 0.000 0.950 641 S HN 1.696 nan 8.310 nan 0.000 0.561 642 S N -0.374 115.164 115.700 -0.271 0.000 2.625 642 S HA 0.580 5.049 4.470 -0.000 0.000 0.271 642 S C -1.736 172.598 174.600 -0.443 0.000 1.161 642 S CA -1.001 57.023 58.200 -0.293 0.000 0.820 642 S CB 0.122 63.225 63.200 -0.162 0.000 1.137 642 S HN 0.661 nan 8.310 nan 0.000 0.470 643 Y N 0.553 120.708 120.300 -0.242 0.000 2.304 643 Y HA 0.559 5.109 4.550 -0.000 0.000 0.328 643 Y C 1.639 177.224 175.900 -0.524 0.000 1.123 643 Y CA 0.274 58.151 58.100 -0.373 0.000 1.218 643 Y CB 1.248 39.537 38.460 -0.284 0.000 1.207 643 Y HN 0.987 nan 8.280 nan 0.000 0.495 644 G N 1.071 109.335 108.800 -0.893 0.000 2.985 644 G HA2 0.150 4.110 3.960 -0.000 0.000 0.209 644 G HA3 0.150 4.110 3.960 -0.000 0.000 0.209 644 G C -0.741 173.780 174.900 -0.632 0.000 1.165 644 G CA 0.298 44.752 45.100 -1.076 0.000 0.776 644 G HN 0.723 nan 8.290 nan 0.000 0.541 645 D N -3.011 117.122 120.400 -0.445 0.000 2.694 645 D HA 0.196 4.836 4.640 -0.000 0.000 0.260 645 D C -2.408 173.730 176.300 -0.271 0.000 1.250 645 D CA -1.428 52.408 54.000 -0.272 0.000 0.763 645 D CB 1.040 41.751 40.800 -0.149 0.000 1.311 645 D HN -0.119 nan 8.370 nan 0.000 0.420 646 P HA -0.034 nan 4.420 nan 0.000 0.225 646 P C 0.905 177.788 177.300 -0.696 0.000 1.148 646 P CA 1.068 63.790 63.100 -0.630 0.000 0.779 646 P CB 0.072 31.178 31.700 -0.990 0.000 0.780 647 A N -0.243 122.368 122.820 -0.348 0.000 2.251 647 A HA 0.036 4.356 4.320 -0.000 0.000 0.209 647 A C 0.877 178.410 177.584 -0.084 0.000 1.187 647 A CA 0.143 52.136 52.037 -0.072 0.000 0.823 647 A CB -1.377 17.668 19.000 0.075 0.000 0.846 647 A HN 0.220 nan 8.150 nan 0.000 0.486 648 N N -0.413 118.189 118.700 -0.164 0.000 2.708 648 N HA -0.210 4.530 4.740 -0.000 0.000 0.249 648 N C 0.922 176.468 175.510 0.061 0.000 1.097 648 N CA 0.422 53.396 53.050 -0.126 0.000 0.710 648 N CB -1.060 37.172 38.487 -0.426 0.000 1.032 648 N HN 0.703 nan 8.380 nan 0.000 0.551 649 S N -0.327 115.428 115.700 0.092 0.000 2.561 649 S HA 0.109 4.579 4.470 -0.000 0.000 0.225 649 S C 0.220 175.001 174.600 0.303 0.000 0.977 649 S CA 0.385 58.692 58.200 0.179 0.000 0.926 649 S CB -0.247 63.063 63.200 0.183 0.000 0.769 649 S HN 0.489 nan 8.310 nan 0.000 0.533 650 F N -1.420 118.561 119.950 0.052 0.000 2.770 650 F HA 0.751 5.278 4.527 -0.000 0.000 0.313 650 F C -1.504 174.287 175.800 -0.015 0.000 1.154 650 F CA -1.453 56.551 58.000 0.006 0.000 0.923 650 F CB 0.889 39.861 39.000 -0.048 0.000 1.301 650 F HN -0.268 nan 8.300 nan 0.000 0.449 651 K N 1.559 121.918 120.400 -0.068 0.000 2.328 651 K HA 0.757 5.077 4.320 -0.000 0.000 0.246 651 K C -1.663 174.865 176.600 -0.119 0.000 0.955 651 K CA -1.315 54.791 56.287 -0.301 0.000 0.817 651 K CB 2.911 35.213 32.500 -0.330 0.000 1.208 651 K HN 0.528 nan 8.250 nan 0.000 0.432 652 V N 1.853 121.652 119.914 -0.192 0.000 2.370 652 V HA 0.270 4.390 4.120 -0.000 0.000 0.279 652 V C 0.647 176.726 176.094 -0.025 0.000 1.029 652 V CA -0.796 61.477 62.300 -0.045 0.000 0.870 652 V CB 1.173 32.971 31.823 -0.042 0.000 0.984 652 V HN 0.926 nan 8.190 nan 0.000 0.451 653 G N 3.789 112.616 108.800 0.045 0.000 2.491 653 G HA2 0.312 4.271 3.960 -0.000 0.000 0.238 653 G HA3 0.312 4.271 3.960 -0.000 0.000 0.238 653 G C 0.520 175.473 174.900 0.089 0.000 1.277 653 G CA 0.222 45.357 45.100 0.059 0.000 0.851 653 G HN 0.954 nan 8.290 nan 0.000 0.573 654 S N 0.329 116.025 115.700 -0.007 0.000 2.596 654 S HA 0.615 5.085 4.470 -0.000 0.000 0.260 654 S C -0.400 174.179 174.600 -0.034 0.000 1.336 654 S CA 0.067 58.159 58.200 -0.180 0.000 0.993 654 S CB 0.617 63.723 63.200 -0.157 0.000 0.923 654 S HN 1.262 nan 8.310 nan 0.000 0.567 655 Y N -3.169 116.999 120.300 -0.220 0.000 2.624 655 Y HA 0.713 5.263 4.550 -0.000 0.000 0.334 655 Y C -0.929 174.849 175.900 -0.203 0.000 1.155 655 Y CA -1.154 56.821 58.100 -0.208 0.000 1.046 655 Y CB 0.867 39.071 38.460 -0.427 0.000 1.316 655 Y HN 0.627 nan 8.280 nan 0.000 0.457 656 T N 2.241 116.858 114.554 0.105 0.000 2.848 656 T HA 0.672 5.022 4.350 -0.000 0.000 0.285 656 T C -1.334 173.433 174.700 0.111 0.000 0.995 656 T CA -0.686 61.488 62.100 0.124 0.000 0.970 656 T CB 1.734 70.722 68.868 0.201 0.000 0.976 656 T HN 0.622 nan 8.240 nan 0.000 0.441 657 V N 3.268 123.236 119.914 0.089 0.000 2.680 657 V HA 0.635 4.755 4.120 -0.000 0.000 0.309 657 V C -0.466 175.698 176.094 0.116 0.000 1.052 657 V CA -0.730 61.631 62.300 0.102 0.000 0.908 657 V CB 2.185 34.047 31.823 0.066 0.000 1.001 657 V HN 0.705 nan 8.190 nan 0.000 0.431 658 V N 3.300 123.280 119.914 0.109 0.000 2.555 658 V HA 0.581 4.701 4.120 -0.000 0.000 0.302 658 V C -0.734 175.400 176.094 0.067 0.000 1.038 658 V CA -0.614 61.737 62.300 0.085 0.000 0.887 658 V CB 2.033 33.859 31.823 0.005 0.000 0.991 658 V HN 0.873 nan 8.190 nan 0.000 0.434 659 D N 2.186 122.708 120.400 0.204 0.000 2.350 659 D HA 0.861 5.501 4.640 -0.000 0.000 0.238 659 D C -0.317 176.179 176.300 0.327 0.000 0.989 659 D CA -0.163 54.013 54.000 0.293 0.000 0.921 659 D CB 2.505 43.588 40.800 0.471 0.000 1.297 659 D HN 0.778 nan 8.370 nan 0.000 0.490 660 A N 0.462 123.469 122.820 0.312 0.000 2.587 660 A HA 0.717 5.036 4.320 -0.000 0.000 0.293 660 A C -1.895 175.857 177.584 0.281 0.000 1.087 660 A CA -0.586 51.592 52.037 0.235 0.000 0.692 660 A CB 1.728 20.764 19.000 0.060 0.000 1.291 660 A HN 0.390 nan 8.150 nan 0.000 0.407 661 L N 0.528 121.883 121.223 0.219 0.000 2.472 661 L HA 0.806 5.146 4.340 -0.000 0.000 0.260 661 L C -1.791 175.092 176.870 0.022 0.000 0.963 661 L CA -0.349 54.562 54.840 0.118 0.000 0.829 661 L CB 2.357 44.577 42.059 0.268 0.000 1.348 661 L HN 0.570 nan 8.230 nan 0.000 0.408 662 V N 5.060 124.931 119.914 -0.071 0.000 2.445 662 V HA 0.560 4.680 4.120 -0.000 0.000 0.283 662 V C -0.406 175.648 176.094 -0.067 0.000 1.014 662 V CA -0.486 61.787 62.300 -0.044 0.000 0.852 662 V CB 1.363 33.161 31.823 -0.042 0.000 1.021 662 V HN 0.819 nan 8.190 nan 0.000 0.435 663 R N 3.259 123.748 120.500 -0.018 0.000 2.532 663 R HA 0.562 4.902 4.340 -0.000 0.000 0.295 663 R C -1.946 174.417 176.300 0.105 0.000 0.968 663 R CA -0.645 55.457 56.100 0.004 0.000 0.916 663 R CB 1.854 32.145 30.300 -0.016 0.000 1.124 663 R HN 0.594 nan 8.270 nan 0.000 0.463 664 Y N 3.166 123.438 120.300 -0.047 0.000 2.349 664 Y HA 0.169 4.718 4.550 -0.000 0.000 0.324 664 Y C -1.002 174.885 175.900 -0.021 0.000 1.005 664 Y CA -1.455 56.625 58.100 -0.033 0.000 1.240 664 Y CB 0.948 39.392 38.460 -0.027 0.000 1.117 664 Y HN 0.689 nan 8.280 nan 0.000 0.463 665 D N 5.162 125.340 120.400 -0.370 0.000 2.472 665 D HA 0.014 4.653 4.640 -0.000 0.000 0.248 665 D C 0.336 176.316 176.300 -0.533 0.000 1.174 665 D CA 0.558 54.354 54.000 -0.339 0.000 0.883 665 D CB 0.840 41.507 40.800 -0.222 0.000 1.149 665 D HN 0.750 nan 8.370 nan 0.000 0.488 666 L N 3.637 124.693 121.223 -0.278 0.000 2.718 666 L HA 0.151 4.491 4.340 -0.000 0.000 0.242 666 L C 1.801 178.600 176.870 -0.118 0.000 1.203 666 L CA -0.134 54.598 54.840 -0.180 0.000 1.011 666 L CB -0.448 41.613 42.059 0.003 0.000 1.250 666 L HN 0.524 nan 8.230 nan 0.000 0.437 667 A N -0.074 122.654 122.820 -0.154 0.000 1.970 667 A HA -0.058 4.261 4.320 -0.000 0.000 0.216 667 A C 2.275 179.826 177.584 -0.054 0.000 1.170 667 A CA 0.502 52.493 52.037 -0.077 0.000 0.645 667 A CB -0.080 18.883 19.000 -0.062 0.000 0.816 667 A HN 0.293 nan 8.150 nan 0.000 0.447 668 R N 0.084 120.529 120.500 -0.092 0.000 2.120 668 R HA -0.107 4.233 4.340 -0.000 0.000 0.234 668 R C 1.708 178.026 176.300 0.029 0.000 1.123 668 R CA 1.697 57.786 56.100 -0.018 0.000 0.975 668 R CB -1.168 29.135 30.300 0.005 0.000 0.866 668 R HN 0.649 nan 8.270 nan 0.000 0.446 669 V N -3.413 116.520 119.914 0.033 0.000 3.596 669 V HA 0.476 4.596 4.120 -0.000 0.000 0.289 669 V C 0.958 177.080 176.094 0.046 0.000 1.336 669 V CA 0.461 62.799 62.300 0.064 0.000 1.137 669 V CB 0.087 31.974 31.823 0.106 0.000 0.966 669 V HN 0.360 nan 8.190 nan 0.000 0.428 670 G N 0.373 109.189 108.800 0.027 0.000 2.134 670 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.209 670 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.209 670 G C -0.114 174.799 174.900 0.023 0.000 0.993 670 G CA 0.225 45.340 45.100 0.026 0.000 0.669 670 G HN 0.470 nan 8.290 nan 0.000 0.519 671 M N 1.052 120.661 119.600 0.015 0.000 1.949 671 M HA 0.536 5.016 4.480 -0.000 0.000 0.234 671 M C 0.511 176.804 176.300 -0.012 0.000 0.855 671 M CA -0.185 55.121 55.300 0.010 0.000 0.800 671 M CB 1.334 33.958 32.600 0.040 0.000 1.697 671 M HN 0.506 nan 8.290 nan 0.000 0.357 672 A N 0.616 123.425 122.820 -0.017 0.000 2.448 672 A HA 0.589 4.909 4.320 -0.000 0.000 0.239 672 A C 1.337 178.898 177.584 -0.038 0.000 1.080 672 A CA 1.104 53.124 52.037 -0.028 0.000 0.779 672 A CB -0.087 18.903 19.000 -0.017 0.000 1.026 672 A HN 1.202 nan 8.150 nan 0.000 0.499 673 G N 0.146 108.921 108.800 -0.042 0.000 2.328 673 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.256 673 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.256 673 G C 0.623 175.485 174.900 -0.063 0.000 1.014 673 G CA 0.841 45.911 45.100 -0.049 0.000 0.620 673 G HN 1.348 nan 8.290 nan 0.000 0.530 674 S N 1.367 117.031 115.700 -0.060 0.000 2.654 674 S HA 0.680 5.149 4.470 -0.000 0.000 0.283 674 S C 0.110 174.659 174.600 -0.086 0.000 1.180 674 S CA -0.034 58.125 58.200 -0.068 0.000 1.021 674 S CB 1.632 64.852 63.200 0.033 0.000 1.018 674 S HN 1.045 nan 8.310 nan 0.000 0.532 675 N N -1.047 117.569 118.700 -0.140 0.000 2.927 675 N HA 0.511 5.250 4.740 -0.000 0.000 0.248 675 N C -2.146 173.286 175.510 -0.129 0.000 1.443 675 N CA -0.637 52.349 53.050 -0.106 0.000 0.870 675 N CB 1.308 39.748 38.487 -0.078 0.000 1.444 675 N HN 0.377 nan 8.380 nan 0.000 0.519 676 V N -0.391 119.512 119.914 -0.019 0.000 2.789 676 V HA 0.886 5.006 4.120 -0.000 0.000 0.311 676 V C -0.530 175.582 176.094 0.030 0.000 1.073 676 V CA -0.406 61.899 62.300 0.008 0.000 0.921 676 V CB 1.189 33.066 31.823 0.092 0.000 1.009 676 V HN 1.113 nan 8.190 nan 0.000 0.426 677 A N 4.202 127.030 122.820 0.013 0.000 2.593 677 A HA 0.936 5.256 4.320 -0.000 0.000 0.290 677 A C -1.871 175.657 177.584 -0.094 0.000 1.126 677 A CA -0.569 51.424 52.037 -0.074 0.000 0.695 677 A CB 1.906 20.801 19.000 -0.175 0.000 1.290 677 A HN 0.762 nan 8.150 nan 0.000 0.414 678 L N 1.406 122.492 121.223 -0.228 0.000 2.406 678 L HA 0.568 4.908 4.340 -0.000 0.000 0.272 678 L C -1.451 175.273 176.870 -0.245 0.000 0.980 678 L CA -0.561 54.210 54.840 -0.116 0.000 0.831 678 L CB 1.667 43.694 42.059 -0.053 0.000 1.253 678 L HN 0.957 nan 8.230 nan 0.000 0.406 679 H N 2.698 121.785 119.070 0.028 0.000 2.492 679 H HA 0.667 5.222 4.556 -0.000 0.000 0.345 679 H C -0.851 174.506 175.328 0.049 0.000 1.136 679 H CA -0.661 55.417 56.048 0.051 0.000 1.202 679 H CB 2.180 31.963 29.762 0.034 0.000 1.524 679 H HN 0.168 nan 8.280 nan 0.000 0.506 680 V N 2.963 122.985 119.914 0.179 0.000 2.569 680 V HA 0.290 4.410 4.120 -0.000 0.000 0.301 680 V C -0.635 175.534 176.094 0.125 0.000 1.044 680 V CA -0.943 61.423 62.300 0.111 0.000 0.874 680 V CB 1.497 33.349 31.823 0.049 0.000 1.002 680 V HN 0.765 nan 8.190 nan 0.000 0.424 681 N N 3.309 122.068 118.700 0.097 0.000 2.362 681 N HA 0.489 5.229 4.740 -0.000 0.000 0.298 681 N C 0.101 175.651 175.510 0.066 0.000 1.048 681 N CA -0.486 52.622 53.050 0.097 0.000 0.858 681 N CB 0.908 39.447 38.487 0.087 0.000 1.218 681 N HN 0.727 nan 8.380 nan 0.000 0.488 682 N N 1.405 120.147 118.700 0.070 0.000 2.708 682 N HA -0.170 4.569 4.740 -0.000 0.000 0.255 682 N C 0.358 175.868 175.510 -0.000 0.000 1.046 682 N CA 0.018 53.111 53.050 0.072 0.000 0.715 682 N CB -0.779 37.784 38.487 0.127 0.000 0.895 682 N HN 0.628 nan 8.380 nan 0.000 0.545 683 L N 0.375 121.521 121.223 -0.128 0.000 2.051 683 L HA -0.063 4.276 4.340 -0.000 0.000 0.214 683 L C 1.459 178.163 176.870 -0.277 0.000 1.076 683 L CA 2.085 56.751 54.840 -0.290 0.000 0.758 683 L CB -0.535 41.187 42.059 -0.562 0.000 0.890 683 L HN 0.413 nan 8.230 nan 0.000 0.433 684 F N -0.108 119.889 119.950 0.077 0.000 2.731 684 F HA 0.163 4.690 4.527 -0.000 0.000 0.304 684 F C 1.085 176.922 175.800 0.062 0.000 1.133 684 F CA -0.160 57.878 58.000 0.064 0.000 1.380 684 F CB -1.173 37.866 39.000 0.065 0.000 1.079 684 F HN 0.131 nan 8.300 nan 0.000 0.550 685 D N 1.174 121.674 120.400 0.167 0.000 2.701 685 D HA -0.277 4.363 4.640 -0.000 0.000 0.235 685 D C 0.509 176.895 176.300 0.144 0.000 1.155 685 D CA 0.296 54.368 54.000 0.120 0.000 0.649 685 D CB -0.668 40.180 40.800 0.080 0.000 1.050 685 D HN 0.196 nan 8.370 nan 0.000 0.425 686 R N 1.234 121.862 120.500 0.214 0.000 2.538 686 R HA 0.109 4.449 4.340 -0.000 0.000 0.282 686 R C 0.007 176.458 176.300 0.252 0.000 1.009 686 R CA 0.315 56.564 56.100 0.248 0.000 1.063 686 R CB 0.448 30.925 30.300 0.295 0.000 0.945 686 R HN 0.326 nan 8.270 nan 0.000 0.414 687 E N 4.908 125.224 120.200 0.194 0.000 2.073 687 E HA 0.207 4.557 4.350 -0.000 0.000 0.269 687 E C -1.542 175.232 176.600 0.289 0.000 0.917 687 E CA -0.778 55.681 56.400 0.099 0.000 0.757 687 E CB 0.341 30.019 29.700 -0.036 0.000 1.111 687 E HN 0.613 nan 8.360 nan 0.000 0.410 688 Y N 0.635 121.052 120.300 0.196 0.000 2.588 688 Y HA 0.569 5.118 4.550 -0.000 0.000 0.343 688 Y C -1.390 174.607 175.900 0.161 0.000 1.065 688 Y CA -1.441 56.754 58.100 0.159 0.000 1.038 688 Y CB 0.790 39.177 38.460 -0.120 0.000 1.297 688 Y HN 0.017 nan 8.280 nan 0.000 0.467 689 V N 3.418 123.379 119.914 0.078 0.000 2.385 689 V HA 0.394 4.514 4.120 -0.000 0.000 0.269 689 V C 1.080 177.198 176.094 0.040 0.000 1.043 689 V CA 0.392 62.601 62.300 -0.153 0.000 0.906 689 V CB 0.272 31.931 31.823 -0.274 0.000 0.995 689 V HN 1.135 nan 8.190 nan 0.000 0.467 690 A N 4.785 127.605 122.820 0.000 0.000 1.902 690 A HA 0.102 4.422 4.320 -0.000 0.000 0.217 690 A C 1.082 178.842 177.584 0.294 0.000 1.181 690 A CA 1.586 53.732 52.037 0.183 0.000 0.623 690 A CB -0.089 19.023 19.000 0.185 0.000 0.818 690 A HN 1.270 nan 8.150 nan 0.000 0.443 691 S N -4.522 111.301 115.700 0.205 0.000 2.688 691 S HA 0.467 4.937 4.470 -0.000 0.000 0.266 691 S C -1.194 173.453 174.600 0.078 0.000 1.061 691 S CA -0.490 57.806 58.200 0.159 0.000 0.844 691 S CB 0.341 63.661 63.200 0.199 0.000 1.103 691 S HN 0.833 nan 8.310 nan 0.000 0.471 692 c N 1.426 120.016 118.600 -0.016 0.000 2.880 692 c HA 0.687 5.257 4.570 -0.000 0.000 0.320 692 c C 0.544 174.549 174.090 -0.142 0.000 1.176 692 c CA -0.808 55.401 56.329 -0.201 0.000 1.390 692 c CB 0.608 43.004 42.510 -0.190 0.000 1.846 692 c HN 1.048 nan 8.230 nan 0.000 0.478 693 F N 0.359 120.152 119.950 -0.261 0.000 2.721 693 F HA 0.478 5.005 4.527 -0.000 0.000 0.301 693 F C 0.387 175.960 175.800 -0.377 0.000 1.096 693 F CA 0.093 57.934 58.000 -0.265 0.000 1.308 693 F CB -0.054 38.806 39.000 -0.233 0.000 1.086 693 F HN 0.557 nan 8.300 nan 0.000 0.587 694 N N -0.457 117.610 118.700 -1.056 0.000 3.348 694 N HA 0.022 4.762 4.740 -0.000 0.000 0.233 694 N C 0.735 175.794 175.510 -0.751 0.000 1.440 694 N CA 0.590 53.076 53.050 -0.941 0.000 0.887 694 N CB 1.278 38.882 38.487 -1.473 0.000 1.410 694 N HN -0.013 nan 8.380 nan 0.000 0.502 695 T N -1.271 113.019 114.554 -0.440 0.000 2.849 695 T HA -0.189 4.160 4.350 -0.000 0.000 0.270 695 T C 1.478 175.909 174.700 -0.448 0.000 1.066 695 T CA 1.756 63.632 62.100 -0.374 0.000 1.130 695 T CB -0.604 68.130 68.868 -0.223 0.000 0.864 695 T HN 0.615 nan 8.240 nan 0.000 0.481 696 Y N 0.036 120.066 120.300 -0.451 0.000 2.555 696 Y HA 0.714 5.264 4.550 -0.000 0.000 0.259 696 Y C 0.923 176.469 175.900 -0.590 0.000 1.179 696 Y CA -1.560 56.294 58.100 -0.411 0.000 1.230 696 Y CB -0.110 38.167 38.460 -0.306 0.000 1.146 696 Y HN 0.182 nan 8.280 nan 0.000 0.526 697 G N 0.826 108.917 108.800 -1.182 0.000 4.138 697 G HA2 0.461 4.421 3.960 -0.000 0.000 0.335 697 G HA3 0.461 4.421 3.960 -0.000 0.000 0.335 697 G C -1.280 172.840 174.900 -1.299 0.000 1.517 697 G CA -0.309 43.933 45.100 -1.431 0.000 0.960 697 G HN 0.267 nan 8.290 nan 0.000 0.493 698 c N 0.541 118.503 118.600 -1.063 0.000 2.470 698 c HA 0.859 5.429 4.570 -0.000 0.000 0.341 698 c C -0.816 172.547 174.090 -1.211 0.000 1.190 698 c CA -0.674 55.038 56.329 -1.029 0.000 1.904 698 c CB 0.791 42.949 42.510 -0.587 0.000 2.354 698 c HN 0.562 nan 8.230 nan 0.000 0.509 699 F N -0.150 119.729 119.950 -0.119 0.000 2.557 699 F HA 0.383 4.910 4.527 -0.000 0.000 0.316 699 F C -0.343 175.392 175.800 -0.108 0.000 1.141 699 F CA -0.787 57.199 58.000 -0.025 0.000 0.922 699 F CB 0.528 39.577 39.000 0.081 0.000 1.194 699 F HN 0.618 nan 8.300 nan 0.000 0.443 700 W N 1.795 123.156 121.300 0.101 0.000 2.181 700 W HA 0.487 5.147 4.660 -0.000 0.000 0.335 700 W C 0.954 177.350 176.519 -0.205 0.000 1.310 700 W CA -0.169 57.117 57.345 -0.098 0.000 1.226 700 W CB 0.784 30.185 29.460 -0.098 0.000 1.155 700 W HN 0.723 nan 8.180 nan 0.000 0.565 701 G N 0.967 109.593 108.800 -0.290 0.000 2.616 701 G HA2 0.487 4.446 3.960 -0.000 0.000 0.268 701 G HA3 0.487 4.446 3.960 -0.000 0.000 0.268 701 G C -0.806 173.886 174.900 -0.346 0.000 1.213 701 G CA -0.784 43.934 45.100 -0.636 0.000 0.926 701 G HN 0.723 nan 8.290 nan 0.000 0.523 702 A N -0.008 122.718 122.820 -0.157 0.000 2.450 702 A HA 0.469 4.789 4.320 -0.000 0.000 0.255 702 A C 0.771 178.327 177.584 -0.046 0.000 1.096 702 A CA -0.268 51.740 52.037 -0.048 0.000 0.778 702 A CB -0.016 19.001 19.000 0.028 0.000 1.031 702 A HN 0.782 nan 8.150 nan 0.000 0.494 703 E N 2.639 122.805 120.200 -0.057 0.000 2.369 703 E HA 0.270 4.620 4.350 -0.000 0.000 0.255 703 E C 0.220 176.824 176.600 0.005 0.000 1.172 703 E CA -0.910 55.465 56.400 -0.040 0.000 0.932 703 E CB 0.564 30.215 29.700 -0.082 0.000 1.040 703 E HN 0.649 nan 8.360 nan 0.000 0.454 704 R N 0.676 121.188 120.500 0.019 0.000 2.523 704 R HA -0.122 4.218 4.340 -0.000 0.000 0.281 704 R C -0.563 175.744 176.300 0.012 0.000 0.969 704 R CA 0.903 57.018 56.100 0.025 0.000 1.093 704 R CB 0.365 30.679 30.300 0.023 0.000 0.917 704 R HN 0.540 nan 8.270 nan 0.000 0.408 705 Q N 2.899 122.712 119.800 0.021 0.000 2.337 705 Q HA 0.426 4.766 4.340 -0.000 0.000 0.270 705 Q C -1.680 174.334 176.000 0.023 0.000 1.043 705 Q CA -0.829 54.982 55.803 0.013 0.000 0.794 705 Q CB 2.806 31.553 28.738 0.014 0.000 1.281 705 Q HN 0.464 nan 8.270 nan 0.000 0.446 706 V N 3.761 123.681 119.914 0.010 0.000 2.483 706 V HA 0.564 4.683 4.120 -0.000 0.000 0.297 706 V C -1.353 174.750 176.094 0.015 0.000 1.027 706 V CA -0.436 61.879 62.300 0.025 0.000 0.855 706 V CB 1.709 33.539 31.823 0.012 0.000 0.995 706 V HN 0.548 nan 8.190 nan 0.000 0.424 707 V N 6.489 126.440 119.914 0.060 0.000 2.495 707 V HA 0.821 4.941 4.120 -0.000 0.000 0.298 707 V C 0.403 176.577 176.094 0.133 0.000 1.031 707 V CA -0.190 62.137 62.300 0.045 0.000 0.871 707 V CB 1.778 33.592 31.823 -0.015 0.000 0.988 707 V HN 1.098 nan 8.190 nan 0.000 0.432 708 A N 3.344 126.204 122.820 0.066 0.000 2.276 708 A HA 0.791 5.111 4.320 -0.000 0.000 0.316 708 A C 0.026 177.668 177.584 0.096 0.000 1.229 708 A CA -0.316 51.773 52.037 0.087 0.000 0.851 708 A CB 0.721 19.747 19.000 0.043 0.000 1.165 708 A HN 0.735 nan 8.150 nan 0.000 0.513 709 T N 1.617 116.255 114.554 0.139 0.000 2.841 709 T HA 0.681 5.031 4.350 -0.000 0.000 0.283 709 T C -0.393 174.324 174.700 0.029 0.000 1.000 709 T CA 0.028 62.185 62.100 0.096 0.000 0.977 709 T CB 1.618 70.576 68.868 0.149 0.000 0.979 709 T HN 1.195 nan 8.240 nan 0.000 0.446 710 A N 2.472 125.272 122.820 -0.033 0.000 2.410 710 A HA 0.668 4.988 4.320 -0.000 0.000 0.289 710 A C 0.113 177.409 177.584 -0.479 0.000 1.200 710 A CA -0.800 51.080 52.037 -0.262 0.000 0.751 710 A CB 0.695 19.630 19.000 -0.110 0.000 1.161 710 A HN 0.763 nan 8.150 nan 0.000 0.459 711 T N 0.708 114.945 114.554 -0.528 0.000 2.772 711 T HA 0.728 5.078 4.350 -0.000 0.000 0.288 711 T C -0.968 173.419 174.700 -0.523 0.000 0.994 711 T CA -0.360 61.493 62.100 -0.412 0.000 0.951 711 T CB -0.220 68.546 68.868 -0.170 0.000 0.933 711 T HN 0.251 nan 8.240 nan 0.000 0.447 712 F N 2.788 122.684 119.950 -0.091 0.000 2.443 712 F HA 0.621 5.148 4.527 -0.000 0.000 0.335 712 F C 0.953 176.529 175.800 -0.372 0.000 1.104 712 F CA -1.116 56.729 58.000 -0.258 0.000 1.013 712 F CB 1.816 40.626 39.000 -0.317 0.000 1.136 712 F HN 0.397 nan 8.300 nan 0.000 0.470 713 R N 3.174 123.510 120.500 -0.272 0.000 2.439 713 R HA 0.539 4.878 4.340 -0.000 0.000 0.310 713 R C -1.340 174.749 176.300 -0.351 0.000 0.955 713 R CA -0.626 55.332 56.100 -0.236 0.000 0.853 713 R CB 1.473 31.704 30.300 -0.115 0.000 1.171 713 R HN 0.455 nan 8.270 nan 0.000 0.449 714 F N 0.000 119.962 119.950 0.019 0.000 2.286 714 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 714 F CA 0.000 58.019 58.000 0.031 0.000 1.383 714 F CB 0.000 39.034 39.000 0.057 0.000 1.145 714 F HN 0.000 nan 8.300 nan 0.000 0.574