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 2o2c_1_C DATA FIRST_RESID 46 DATA SEQUENCE ADTTLTSCAS WTQLQKLYEQ YGDEPIKKHF ETDSERGQRY SVKVSLGSKD DATA SEQUENCE ENFLFLDYSK SHINDEIKCA LLRLAEERGI RQFVQSVFRG ERVNTTENRP DATA SEQUENCE VLHIALRNRS NRPIYVDGKD VMPAVNKVLD QMRSFSEKVR TGEWKGHTGK DATA SEQUENCE AIRHVVNIGI GGSDLGPVMA TEALKPFSQR DLSLHFVSNV DGTHIAEVLK DATA SEQUENCE SIDIEATLFI VASKTFTTQE TITNALSARR ALLDYLRSRG IDEKGSVAKH DATA SEQUENCE FVALSTNNQK VKEFGIDEEN MFQFWDWVGG RYSMWSAIGL PIMISIGYEN DATA SEQUENCE FVELLTGAHV IDEHFANAPP EQNVPLLLAL VGVWYINFFG AVTHAILPYD DATA SEQUENCE QYLWRLPAYL QQLDMESNGK YVTRSGKTVS TLTGPIIFGE AGTNGQHAFY DATA SEQUENCE QLIHQGTNLI PCDFIGAIQS QNKIGDHHKI FMSNFFAQTE ALMIGKSPSE DATA SEQUENCE VRRELEAAGE RSAEKINALL PHKTFIGGRP SNTLLIKSLT PRALGAIIAM DATA SEQUENCE YEHKVLVQGA IWGIDSYDQW GVELGKVLAK SILPQLRPGM RVNNHDSSTN DATA SEQUENCE GLINMFNELS H 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 46 A HA 0.000 nan 4.320 nan 0.000 0.244 46 A C 0.000 177.555 177.584 -0.049 0.000 1.274 46 A CA 0.000 52.005 52.037 -0.053 0.000 0.836 46 A CB 0.000 18.966 19.000 -0.057 0.000 0.831 47 D N 1.433 121.801 120.400 -0.054 0.000 2.425 47 D HA 0.425 5.065 4.640 -0.000 0.000 0.247 47 D C 1.348 177.602 176.300 -0.076 0.000 1.147 47 D CA 1.303 55.269 54.000 -0.056 0.000 0.879 47 D CB 0.911 41.678 40.800 -0.055 0.000 1.179 47 D HN 0.690 nan 8.370 nan 0.000 0.456 48 T N -1.510 113.003 114.554 -0.068 0.000 3.043 48 T HA 0.016 4.366 4.350 -0.000 0.000 0.272 48 T C 1.631 176.280 174.700 -0.085 0.000 0.990 48 T CA 0.355 62.409 62.100 -0.077 0.000 0.897 48 T CB -0.284 68.556 68.868 -0.046 0.000 1.111 48 T HN 0.412 nan 8.240 nan 0.000 0.529 49 T N 0.873 115.380 114.554 -0.078 0.000 2.833 49 T HA -0.013 4.337 4.350 -0.000 0.000 0.269 49 T C 1.685 176.322 174.700 -0.105 0.000 1.054 49 T CA 0.969 63.029 62.100 -0.068 0.000 1.135 49 T CB -0.451 68.391 68.868 -0.044 0.000 0.869 49 T HN 0.244 nan 8.240 nan 0.000 0.466 50 L N 2.360 123.468 121.223 -0.191 0.000 2.102 50 L HA 0.158 4.498 4.340 -0.000 0.000 0.202 50 L C 2.702 179.258 176.870 -0.523 0.000 1.076 50 L CA 2.309 56.950 54.840 -0.332 0.000 0.761 50 L CB -1.270 40.530 42.059 -0.431 0.000 0.921 50 L HN 0.506 nan 8.230 nan 0.000 0.444 51 T N -3.955 110.272 114.554 -0.545 0.000 2.962 51 T HA -0.070 4.280 4.350 -0.000 0.000 0.270 51 T C 1.667 176.314 174.700 -0.088 0.000 1.088 51 T CA 1.332 63.142 62.100 -0.482 0.000 1.127 51 T CB -0.588 68.121 68.868 -0.266 0.000 0.883 51 T HN 0.297 nan 8.240 nan 0.000 0.493 52 S N 0.101 115.765 115.700 -0.060 0.000 2.575 52 S HA 0.232 4.702 4.470 -0.000 0.000 0.215 52 S C 0.937 175.577 174.600 0.066 0.000 0.966 52 S CA -0.529 57.685 58.200 0.024 0.000 0.911 52 S CB -0.498 62.704 63.200 0.003 0.000 0.780 52 S HN 0.591 nan 8.310 nan 0.000 0.514 53 C N 2.479 121.828 119.300 0.082 0.000 2.662 53 C HA 0.362 4.822 4.460 -0.000 0.000 0.420 53 C C 2.187 177.288 174.990 0.185 0.000 1.314 53 C CA -0.302 58.792 59.018 0.128 0.000 1.963 53 C CB 0.044 27.879 27.740 0.159 0.000 2.686 53 C HN 0.602 nan 8.230 nan 0.000 0.609 54 A N 2.958 125.859 122.820 0.134 0.000 1.940 54 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 54 A C 2.216 179.888 177.584 0.147 0.000 1.176 54 A CA 2.363 54.473 52.037 0.122 0.000 0.631 54 A CB -0.735 18.312 19.000 0.080 0.000 0.814 54 A HN 1.027 nan 8.150 nan 0.000 0.446 55 S N -2.107 113.690 115.700 0.161 0.000 2.453 55 S HA -0.154 4.316 4.470 -0.000 0.000 0.231 55 S C 1.815 176.554 174.600 0.232 0.000 1.005 55 S CA 0.748 59.040 58.200 0.154 0.000 0.949 55 S CB -0.616 62.662 63.200 0.129 0.000 0.774 55 S HN 0.749 nan 8.310 nan 0.000 0.510 56 W N 2.695 124.080 121.300 0.141 0.000 2.409 56 W HA -0.087 4.573 4.660 -0.000 0.000 0.299 56 W C 1.616 178.280 176.519 0.243 0.000 1.203 56 W CA 1.537 59.026 57.345 0.241 0.000 1.298 56 W CB -0.551 29.037 29.460 0.213 0.000 1.127 56 W HN 0.332 nan 8.180 nan 0.000 0.528 57 T N 1.028 115.789 114.554 0.346 0.000 2.821 57 T HA -0.230 4.120 4.350 -0.000 0.000 0.267 57 T C 1.662 176.443 174.700 0.134 0.000 1.046 57 T CA 1.663 63.900 62.100 0.228 0.000 1.139 57 T CB -0.277 68.704 68.868 0.188 0.000 0.871 57 T HN 0.256 nan 8.240 nan 0.000 0.454 58 Q N 0.382 120.245 119.800 0.106 0.000 2.079 58 Q HA 0.082 4.422 4.340 -0.000 0.000 0.200 58 Q C 2.303 178.312 176.000 0.016 0.000 0.974 58 Q CA 1.002 56.839 55.803 0.056 0.000 0.840 58 Q CB -0.321 28.442 28.738 0.042 0.000 0.898 58 Q HN 0.438 nan 8.270 nan 0.000 0.430 59 L N 0.259 121.452 121.223 -0.052 0.000 2.141 59 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 59 L C 2.477 179.263 176.870 -0.139 0.000 1.094 59 L CA 0.737 55.446 54.840 -0.219 0.000 0.763 59 L CB -0.134 41.570 42.059 -0.591 0.000 0.908 59 L HN 0.230 nan 8.230 nan 0.000 0.437 60 Q N 0.608 120.434 119.800 0.044 0.000 2.123 60 Q HA -0.162 4.178 4.340 -0.000 0.000 0.199 60 Q C 2.027 178.128 176.000 0.169 0.000 0.966 60 Q CA 1.598 57.524 55.803 0.205 0.000 0.845 60 Q CB 0.057 28.913 28.738 0.196 0.000 0.907 60 Q HN 0.318 nan 8.270 nan 0.000 0.439 61 K N -0.437 120.029 120.400 0.110 0.000 2.097 61 K HA -0.023 4.297 4.320 -0.000 0.000 0.205 61 K C 1.953 178.598 176.600 0.075 0.000 1.050 61 K CA 1.056 57.388 56.287 0.076 0.000 0.938 61 K CB -0.063 32.471 32.500 0.056 0.000 0.718 61 K HN 0.224 nan 8.250 nan 0.000 0.442 62 L N -0.126 121.175 121.223 0.129 0.000 2.291 62 L HA -0.130 4.210 4.340 -0.000 0.000 0.214 62 L C 2.321 179.398 176.870 0.345 0.000 1.120 62 L CA 0.673 55.647 54.840 0.223 0.000 0.799 62 L CB -0.288 41.887 42.059 0.193 0.000 0.925 62 L HN 0.181 nan 8.230 nan 0.000 0.446 63 Y N 1.035 121.447 120.300 0.186 0.000 2.220 63 Y HA -0.147 4.403 4.550 -0.000 0.000 0.291 63 Y C 2.518 178.390 175.900 -0.047 0.000 1.129 63 Y CA 1.308 59.434 58.100 0.044 0.000 1.161 63 Y CB 0.111 38.447 38.460 -0.206 0.000 0.997 63 Y HN 0.080 nan 8.280 nan 0.000 0.522 64 E N 0.181 120.303 120.200 -0.130 0.000 2.274 64 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 64 E C 1.935 178.399 176.600 -0.226 0.000 0.996 64 E CA 1.024 57.293 56.400 -0.219 0.000 0.840 64 E CB -0.084 29.574 29.700 -0.070 0.000 0.772 64 E HN 0.673 nan 8.360 nan 0.000 0.491 65 Q N -0.728 118.945 119.800 -0.213 0.000 2.061 65 Q HA -0.080 4.260 4.340 -0.000 0.000 0.195 65 Q C 0.713 176.424 176.000 -0.483 0.000 0.967 65 Q CA 0.993 56.554 55.803 -0.403 0.000 0.829 65 Q CB 0.242 28.658 28.738 -0.536 0.000 0.900 65 Q HN 0.247 nan 8.270 nan 0.000 0.450 66 Y N -1.860 118.457 120.300 0.030 0.000 2.500 66 Y HA 0.371 4.921 4.550 -0.000 0.000 0.246 66 Y C 1.593 177.583 175.900 0.149 0.000 1.146 66 Y CA 0.016 58.184 58.100 0.114 0.000 1.230 66 Y CB 0.454 39.029 38.460 0.191 0.000 1.214 66 Y HN 0.183 nan 8.280 nan 0.000 0.526 67 G N 0.005 108.814 108.800 0.014 0.000 2.432 67 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.219 67 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.219 67 G C 1.216 176.090 174.900 -0.043 0.000 1.135 67 G CA 1.127 46.099 45.100 -0.213 0.000 0.767 67 G HN 0.224 nan 8.290 nan 0.000 0.550 68 D N -0.035 120.335 120.400 -0.050 0.000 2.339 68 D HA 0.053 4.693 4.640 -0.000 0.000 0.217 68 D C 0.690 177.076 176.300 0.142 0.000 1.050 68 D CA 0.022 54.044 54.000 0.038 0.000 0.856 68 D CB 0.337 41.115 40.800 -0.035 0.000 0.922 68 D HN 0.417 nan 8.370 nan 0.000 0.518 69 E N 2.494 122.818 120.200 0.207 0.000 2.257 69 E HA 0.099 4.449 4.350 -0.000 0.000 0.278 69 E C -2.228 174.493 176.600 0.202 0.000 1.049 69 E CA -1.836 54.669 56.400 0.175 0.000 0.876 69 E CB 1.062 30.885 29.700 0.205 0.000 1.035 69 E HN -0.034 nan 8.360 nan 0.000 0.419 70 P HA -0.039 nan 4.420 nan 0.000 0.269 70 P C 0.823 178.073 177.300 -0.083 0.000 1.209 70 P CA 0.233 63.383 63.100 0.084 0.000 0.776 70 P CB 0.829 32.562 31.700 0.054 0.000 0.876 71 I N 2.144 122.650 120.570 -0.106 0.000 2.264 71 I HA -0.320 3.850 4.170 -0.000 0.000 0.248 71 I C 2.368 178.529 176.117 0.073 0.000 1.111 71 I CA 1.972 63.231 61.300 -0.069 0.000 1.382 71 I CB -0.747 37.206 38.000 -0.077 0.000 1.060 71 I HN 0.478 nan 8.210 nan 0.000 0.418 72 K N 0.783 121.211 120.400 0.046 0.000 2.281 72 K HA -0.196 4.123 4.320 -0.000 0.000 0.203 72 K C 2.097 178.743 176.600 0.077 0.000 1.046 72 K CA 1.109 57.448 56.287 0.086 0.000 0.938 72 K CB -0.184 32.312 32.500 -0.007 0.000 0.737 72 K HN 0.037 nan 8.250 nan 0.000 0.458 73 K N 0.956 121.317 120.400 -0.064 0.000 2.217 73 K HA -0.082 4.238 4.320 -0.000 0.000 0.202 73 K C 1.766 178.306 176.600 -0.101 0.000 1.051 73 K CA 1.195 57.420 56.287 -0.104 0.000 0.952 73 K CB -0.266 32.141 32.500 -0.156 0.000 0.736 73 K HN 0.423 nan 8.250 nan 0.000 0.453 74 H N -1.219 117.832 119.070 -0.032 0.000 2.462 74 H HA -0.020 4.536 4.556 -0.000 0.000 0.292 74 H C 1.784 176.931 175.328 -0.301 0.000 1.049 74 H CA 0.879 56.797 56.048 -0.216 0.000 1.334 74 H CB -0.222 29.319 29.762 -0.368 0.000 1.404 74 H HN 0.128 nan 8.280 nan 0.000 0.544 75 F N 1.100 121.026 119.950 -0.039 0.000 2.367 75 F HA 0.001 4.528 4.527 -0.000 0.000 0.298 75 F C 2.287 178.054 175.800 -0.055 0.000 1.094 75 F CA 0.634 58.593 58.000 -0.069 0.000 1.409 75 F CB 0.160 39.114 39.000 -0.078 0.000 1.064 75 F HN 0.126 nan 8.300 nan 0.000 0.528 76 E N -0.753 119.520 120.200 0.121 0.000 2.216 76 E HA -0.084 4.266 4.350 -0.000 0.000 0.192 76 E C 1.857 178.471 176.600 0.024 0.000 0.988 76 E CA 1.426 57.860 56.400 0.057 0.000 0.834 76 E CB -0.116 29.605 29.700 0.035 0.000 0.772 76 E HN 0.290 nan 8.360 nan 0.000 0.479 77 T N 0.141 114.699 114.554 0.007 0.000 2.976 77 T HA -0.054 4.295 4.350 -0.000 0.000 0.257 77 T C 0.446 175.129 174.700 -0.029 0.000 1.051 77 T CA 0.685 62.781 62.100 -0.008 0.000 1.141 77 T CB 0.088 68.954 68.868 -0.003 0.000 0.881 77 T HN -0.020 nan 8.240 nan 0.000 0.461 78 D N 1.079 121.442 120.400 -0.061 0.000 2.440 78 D HA 0.303 4.943 4.640 -0.000 0.000 0.239 78 D C 0.947 177.213 176.300 -0.057 0.000 1.084 78 D CA -0.428 53.523 54.000 -0.082 0.000 0.843 78 D CB 1.279 41.986 40.800 -0.155 0.000 1.097 78 D HN 0.072 nan 8.370 nan 0.000 0.531 79 S N 2.570 118.259 115.700 -0.019 0.000 2.515 79 S HA -0.025 4.445 4.470 -0.000 0.000 0.231 79 S C 0.900 175.506 174.600 0.010 0.000 0.987 79 S CA 0.350 58.555 58.200 0.009 0.000 0.936 79 S CB 0.022 63.226 63.200 0.007 0.000 0.766 79 S HN 0.582 nan 8.310 nan 0.000 0.528 80 E N 0.532 120.723 120.200 -0.015 0.000 2.558 80 E HA 0.220 4.570 4.350 -0.000 0.000 0.205 80 E C 1.492 178.076 176.600 -0.027 0.000 1.006 80 E CA -0.349 56.047 56.400 -0.007 0.000 0.961 80 E CB 0.211 29.908 29.700 -0.005 0.000 1.044 80 E HN 0.467 nan 8.360 nan 0.000 0.465 81 R N 0.810 121.248 120.500 -0.102 0.000 2.091 81 R HA -0.134 4.205 4.340 -0.000 0.000 0.238 81 R C 2.150 178.366 176.300 -0.141 0.000 1.136 81 R CA 1.824 57.763 56.100 -0.270 0.000 0.959 81 R CB -0.336 29.530 30.300 -0.724 0.000 0.856 81 R HN 0.222 nan 8.270 nan 0.000 0.437 82 G N 0.196 109.012 108.800 0.026 0.000 2.440 82 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 82 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 82 G C 1.258 176.214 174.900 0.093 0.000 1.154 82 G CA 0.522 45.692 45.100 0.117 0.000 0.767 82 G HN 0.357 nan 8.290 nan 0.000 0.552 83 Q N -0.047 119.798 119.800 0.076 0.000 2.096 83 Q HA 0.056 4.396 4.340 -0.000 0.000 0.197 83 Q C 2.727 178.758 176.000 0.053 0.000 0.964 83 Q CA 0.548 56.401 55.803 0.082 0.000 0.838 83 Q CB -0.148 28.623 28.738 0.055 0.000 0.906 83 Q HN 0.452 nan 8.270 nan 0.000 0.444 84 R N -0.380 120.149 120.500 0.048 0.000 2.148 84 R HA -0.069 4.271 4.340 -0.000 0.000 0.223 84 R C 0.441 176.725 176.300 -0.027 0.000 1.088 84 R CA 0.758 56.886 56.100 0.046 0.000 0.985 84 R CB 0.135 30.498 30.300 0.106 0.000 0.880 84 R HN 0.174 nan 8.270 nan 0.000 0.451 85 Y N 0.430 120.538 120.300 -0.320 0.000 2.839 85 Y HA 0.232 4.782 4.550 -0.000 0.000 0.361 85 Y C -0.187 175.201 175.900 -0.853 0.000 1.008 85 Y CA -0.740 56.923 58.100 -0.728 0.000 1.534 85 Y CB 0.438 38.423 38.460 -0.792 0.000 1.395 85 Y HN -0.084 nan 8.280 nan 0.000 0.534 86 S N -1.189 114.346 115.700 -0.276 0.000 2.537 86 S HA 0.858 5.328 4.470 -0.000 0.000 0.271 86 S C -1.478 173.093 174.600 -0.048 0.000 1.148 86 S CA -0.804 57.266 58.200 -0.216 0.000 0.868 86 S CB 1.789 64.843 63.200 -0.243 0.000 1.115 86 S HN -0.133 nan 8.310 nan 0.000 0.461 87 V N 1.649 121.502 119.914 -0.102 0.000 2.686 87 V HA 0.611 4.731 4.120 -0.000 0.000 0.306 87 V C -0.585 175.566 176.094 0.095 0.000 1.065 87 V CA -0.703 61.627 62.300 0.050 0.000 0.894 87 V CB 1.972 33.855 31.823 0.101 0.000 1.004 87 V HN 1.018 nan 8.190 nan 0.000 0.424 88 K N 3.219 123.759 120.400 0.233 0.000 2.265 88 K HA 0.737 5.057 4.320 -0.000 0.000 0.267 88 K C -1.517 175.165 176.600 0.136 0.000 0.994 88 K CA -0.431 56.026 56.287 0.284 0.000 0.860 88 K CB 1.802 34.412 32.500 0.183 0.000 1.099 88 K HN 0.526 nan 8.250 nan 0.000 0.448 89 V N 3.235 123.220 119.914 0.119 0.000 2.357 89 V HA 0.161 4.280 4.120 -0.000 0.000 0.284 89 V C 0.152 176.313 176.094 0.111 0.000 1.018 89 V CA -0.807 61.502 62.300 0.015 0.000 0.841 89 V CB 1.263 32.935 31.823 -0.251 0.000 0.991 89 V HN 0.858 nan 8.190 nan 0.000 0.437 90 S N 4.454 120.217 115.700 0.105 0.000 2.562 90 S HA 0.320 4.790 4.470 -0.000 0.000 0.281 90 S C 0.869 175.527 174.600 0.097 0.000 1.333 90 S CA -0.424 57.857 58.200 0.135 0.000 1.052 90 S CB 0.477 63.736 63.200 0.099 0.000 0.884 90 S HN 0.622 nan 8.310 nan 0.000 0.506 91 L N 4.091 125.375 121.223 0.102 0.000 2.591 91 L HA 0.260 4.600 4.340 -0.000 0.000 0.228 91 L C 1.941 178.841 176.870 0.050 0.000 1.133 91 L CA 0.372 55.248 54.840 0.060 0.000 0.880 91 L CB -0.872 41.211 42.059 0.039 0.000 1.033 91 L HN 1.061 nan 8.230 nan 0.000 0.450 92 G N 0.554 109.389 108.800 0.059 0.000 2.148 92 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.254 92 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.254 92 G C 0.352 175.277 174.900 0.041 0.000 0.981 92 G CA 0.502 45.631 45.100 0.050 0.000 0.670 92 G HN 0.481 nan 8.290 nan 0.000 0.528 93 S N -1.126 114.597 115.700 0.039 0.000 2.672 93 S HA 0.705 5.175 4.470 -0.000 0.000 0.276 93 S C 1.039 175.660 174.600 0.035 0.000 1.207 93 S CA -0.189 58.027 58.200 0.027 0.000 1.002 93 S CB 1.848 65.054 63.200 0.010 0.000 0.998 93 S HN 0.085 nan 8.310 nan 0.000 0.542 94 K N 0.936 121.353 120.400 0.028 0.000 2.280 94 K HA -0.049 4.271 4.320 -0.000 0.000 0.202 94 K C 1.208 177.830 176.600 0.037 0.000 1.047 94 K CA 1.328 57.634 56.287 0.032 0.000 0.942 94 K CB -0.356 32.160 32.500 0.027 0.000 0.739 94 K HN 0.802 nan 8.250 nan 0.000 0.457 95 D N 0.109 120.530 120.400 0.035 0.000 2.349 95 D HA -0.091 4.549 4.640 -0.000 0.000 0.224 95 D C -0.504 175.831 176.300 0.058 0.000 1.029 95 D CA 0.138 54.161 54.000 0.040 0.000 0.879 95 D CB -0.248 40.569 40.800 0.029 0.000 0.906 95 D HN 0.229 nan 8.370 nan 0.000 0.528 96 E N -0.829 119.413 120.200 0.071 0.000 2.476 96 E HA -0.217 4.133 4.350 -0.000 0.000 0.251 96 E C -0.336 176.368 176.600 0.173 0.000 1.130 96 E CA 0.181 56.651 56.400 0.116 0.000 0.736 96 E CB -1.635 28.137 29.700 0.120 0.000 1.298 96 E HN 0.287 nan 8.360 nan 0.000 0.400 97 N N 0.479 119.229 118.700 0.084 0.000 2.453 97 N HA 0.383 5.123 4.740 -0.000 0.000 0.253 97 N C -0.411 175.155 175.510 0.093 0.000 1.252 97 N CA 0.481 53.520 53.050 -0.017 0.000 0.917 97 N CB 0.435 38.882 38.487 -0.066 0.000 1.117 97 N HN 0.183 nan 8.380 nan 0.000 0.442 98 F N -0.174 119.810 119.950 0.056 0.000 2.745 98 F HA 0.630 5.157 4.527 -0.000 0.000 0.316 98 F C -1.669 174.187 175.800 0.093 0.000 1.155 98 F CA -1.356 56.685 58.000 0.067 0.000 0.937 98 F CB 0.766 39.813 39.000 0.078 0.000 1.361 98 F HN 0.164 nan 8.300 nan 0.000 0.472 99 L N 2.598 124.048 121.223 0.379 0.000 2.372 99 L HA 0.603 4.942 4.340 -0.000 0.000 0.273 99 L C -2.028 175.113 176.870 0.451 0.000 0.989 99 L CA -0.764 54.252 54.840 0.292 0.000 0.841 99 L CB 1.207 43.339 42.059 0.121 0.000 1.225 99 L HN 0.682 nan 8.230 nan 0.000 0.414 100 F N 6.433 126.610 119.950 0.378 0.000 2.402 100 F HA 0.633 5.160 4.527 -0.000 0.000 0.355 100 F C -1.254 174.688 175.800 0.238 0.000 1.123 100 F CA -0.860 57.318 58.000 0.297 0.000 1.021 100 F CB 1.464 40.677 39.000 0.355 0.000 1.160 100 F HN 0.472 nan 8.300 nan 0.000 0.451 101 L N 6.906 127.947 121.223 -0.303 0.000 2.287 101 L HA 0.478 4.818 4.340 -0.000 0.000 0.287 101 L C -1.274 175.313 176.870 -0.471 0.000 1.022 101 L CA -0.077 54.632 54.840 -0.218 0.000 0.814 101 L CB 1.098 43.144 42.059 -0.023 0.000 1.217 101 L HN 0.597 nan 8.230 nan 0.000 0.420 102 D N 3.825 124.060 120.400 -0.275 0.000 2.440 102 D HA 0.192 4.832 4.640 -0.000 0.000 0.239 102 D C -0.621 175.711 176.300 0.052 0.000 1.084 102 D CA -0.228 53.652 54.000 -0.200 0.000 0.843 102 D CB 0.840 41.608 40.800 -0.052 0.000 1.097 102 D HN 0.584 nan 8.370 nan 0.000 0.531 103 Y N 1.693 122.006 120.300 0.023 0.000 2.681 103 Y HA 0.229 4.779 4.550 -0.000 0.000 0.267 103 Y C 1.547 177.552 175.900 0.175 0.000 1.166 103 Y CA -0.283 57.880 58.100 0.106 0.000 1.209 103 Y CB -0.336 38.182 38.460 0.096 0.000 1.161 103 Y HN 0.190 nan 8.280 nan 0.000 0.534 104 S N 0.314 115.970 115.700 -0.074 0.000 2.428 104 S HA -0.056 4.414 4.470 -0.000 0.000 0.230 104 S C 0.805 175.471 174.600 0.109 0.000 1.014 104 S CA 0.280 58.426 58.200 -0.090 0.000 0.957 104 S CB -0.366 62.792 63.200 -0.070 0.000 0.784 104 S HN 0.466 nan 8.310 nan 0.000 0.499 105 K N 3.078 123.609 120.400 0.218 0.000 2.278 105 K HA 0.256 4.576 4.320 -0.000 0.000 0.237 105 K C -0.365 176.337 176.600 0.171 0.000 1.229 105 K CA -0.074 56.344 56.287 0.218 0.000 1.155 105 K CB -0.179 32.359 32.500 0.064 0.000 1.590 105 K HN 0.563 nan 8.250 nan 0.000 0.290 106 S N -0.800 115.014 115.700 0.191 0.000 2.596 106 S HA 0.254 4.724 4.470 -0.000 0.000 0.270 106 S C -0.516 174.240 174.600 0.259 0.000 1.155 106 S CA -1.104 57.281 58.200 0.308 0.000 0.827 106 S CB 0.713 64.176 63.200 0.439 0.000 1.130 106 S HN 0.481 nan 8.310 nan 0.000 0.467 107 H N 0.545 119.897 119.070 0.469 0.000 2.768 107 H HA 0.520 5.076 4.556 -0.000 0.000 0.228 107 H C -0.711 174.829 175.328 0.354 0.000 1.812 107 H CA 0.106 56.471 56.048 0.528 0.000 1.273 107 H CB -0.683 29.483 29.762 0.673 0.000 1.631 107 H HN 0.358 nan 8.280 nan 0.000 0.526 108 I N 2.038 122.639 120.570 0.052 0.000 2.447 108 I HA 0.174 4.344 4.170 -0.000 0.000 0.287 108 I C -0.410 175.414 176.117 -0.488 0.000 1.023 108 I CA -1.058 60.102 61.300 -0.233 0.000 1.083 108 I CB 1.366 39.313 38.000 -0.088 0.000 1.245 108 I HN 0.396 nan 8.210 nan 0.000 0.434 109 N N 3.307 121.678 118.700 -0.547 0.000 2.671 109 N HA 0.288 5.028 4.740 -0.000 0.000 0.303 109 N C 0.285 175.658 175.510 -0.229 0.000 1.277 109 N CA -0.663 52.062 53.050 -0.541 0.000 0.933 109 N CB 0.528 38.613 38.487 -0.671 0.000 1.190 109 N HN 0.296 nan 8.380 nan 0.000 0.600 110 D N -0.338 119.968 120.400 -0.156 0.000 2.149 110 D HA -0.137 4.502 4.640 -0.000 0.000 0.198 110 D C 1.115 177.323 176.300 -0.154 0.000 0.990 110 D CA 1.291 55.232 54.000 -0.098 0.000 0.839 110 D CB -0.002 40.753 40.800 -0.075 0.000 0.948 110 D HN 0.653 nan 8.370 nan 0.000 0.460 111 E N -0.128 119.953 120.200 -0.198 0.000 2.072 111 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 111 E C 2.314 178.792 176.600 -0.203 0.000 0.985 111 E CA 0.430 56.733 56.400 -0.160 0.000 0.801 111 E CB 0.041 29.671 29.700 -0.116 0.000 0.750 111 E HN 0.320 nan 8.360 nan 0.000 0.452 112 I N 1.115 121.501 120.570 -0.308 0.000 2.252 112 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 112 I C 2.574 178.434 176.117 -0.430 0.000 1.102 112 I CA 0.969 61.981 61.300 -0.480 0.000 1.385 112 I CB -0.139 37.404 38.000 -0.761 0.000 1.064 112 I HN -0.004 nan 8.210 nan 0.000 0.414 113 K N 0.604 120.817 120.400 -0.311 0.000 2.026 113 K HA -0.212 4.108 4.320 -0.000 0.000 0.208 113 K C 2.306 178.784 176.600 -0.204 0.000 1.048 113 K CA 1.920 58.061 56.287 -0.244 0.000 0.929 113 K CB -0.203 32.166 32.500 -0.217 0.000 0.713 113 K HN 0.335 nan 8.250 nan 0.000 0.439 114 C N 0.298 119.493 119.300 -0.174 0.000 2.425 114 C HA -0.010 4.450 4.460 -0.000 0.000 0.277 114 C C 2.834 177.754 174.990 -0.117 0.000 1.280 114 C CA 0.849 59.789 59.018 -0.130 0.000 1.744 114 C CB -0.853 26.824 27.740 -0.104 0.000 1.989 114 C HN 0.666 nan 8.230 nan 0.000 0.491 115 A N -0.112 122.623 122.820 -0.141 0.000 1.968 115 A HA -0.017 4.302 4.320 -0.000 0.000 0.217 115 A C 2.069 179.587 177.584 -0.109 0.000 1.169 115 A CA 1.175 53.142 52.037 -0.117 0.000 0.638 115 A CB -0.465 18.451 19.000 -0.141 0.000 0.812 115 A HN 0.607 nan 8.150 nan 0.000 0.446 116 L N -0.748 120.378 121.223 -0.163 0.000 2.109 116 L HA -0.093 4.247 4.340 -0.000 0.000 0.207 116 L C 2.393 179.224 176.870 -0.066 0.000 1.086 116 L CA 0.746 55.518 54.840 -0.114 0.000 0.760 116 L CB -0.345 41.613 42.059 -0.170 0.000 0.910 116 L HN 0.361 nan 8.230 nan 0.000 0.437 117 L N -0.924 120.245 121.223 -0.091 0.000 2.156 117 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 117 L C 2.718 179.561 176.870 -0.045 0.000 1.095 117 L CA 0.946 55.741 54.840 -0.075 0.000 0.770 117 L CB -0.396 41.606 42.059 -0.095 0.000 0.914 117 L HN 0.177 nan 8.230 nan 0.000 0.439 118 R N -0.347 120.131 120.500 -0.036 0.000 2.115 118 R HA -0.139 4.200 4.340 -0.000 0.000 0.230 118 R C 2.191 178.504 176.300 0.022 0.000 1.111 118 R CA 0.969 57.062 56.100 -0.011 0.000 0.976 118 R CB -0.311 29.984 30.300 -0.008 0.000 0.870 118 R HN 0.198 nan 8.270 nan 0.000 0.445 119 L N 0.666 121.916 121.223 0.045 0.000 2.056 119 L HA -0.056 4.284 4.340 -0.000 0.000 0.207 119 L C 2.211 179.123 176.870 0.069 0.000 1.078 119 L CA 1.784 56.688 54.840 0.106 0.000 0.749 119 L CB -0.479 41.688 42.059 0.180 0.000 0.901 119 L HN 0.074 nan 8.230 nan 0.000 0.433 120 A N -0.910 121.927 122.820 0.029 0.000 1.972 120 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 120 A C 2.235 179.815 177.584 -0.006 0.000 1.169 120 A CA 1.654 53.693 52.037 0.004 0.000 0.635 120 A CB -0.581 18.409 19.000 -0.018 0.000 0.810 120 A HN 0.537 nan 8.150 nan 0.000 0.446 121 E N 0.307 120.502 120.200 -0.009 0.000 2.072 121 E HA -0.120 4.230 4.350 -0.000 0.000 0.190 121 E C 1.861 178.461 176.600 0.001 0.000 0.982 121 E CA 1.537 57.928 56.400 -0.015 0.000 0.803 121 E CB -0.268 29.420 29.700 -0.021 0.000 0.755 121 E HN 0.677 nan 8.360 nan 0.000 0.453 122 E N -0.467 119.744 120.200 0.019 0.000 2.150 122 E HA -0.083 4.267 4.350 -0.000 0.000 0.193 122 E C 1.617 178.231 176.600 0.024 0.000 0.985 122 E CA 0.479 56.896 56.400 0.029 0.000 0.814 122 E CB 0.126 29.858 29.700 0.053 0.000 0.752 122 E HN 0.052 nan 8.360 nan 0.000 0.466 123 R N -0.256 120.256 120.500 0.020 0.000 2.310 123 R HA 0.064 4.403 4.340 -0.000 0.000 0.202 123 R C 0.744 177.040 176.300 -0.007 0.000 0.933 123 R CA 0.575 56.675 56.100 0.001 0.000 1.054 123 R CB 0.226 30.521 30.300 -0.008 0.000 0.985 123 R HN 0.214 nan 8.270 nan 0.000 0.489 124 G N 2.267 111.070 108.800 0.006 0.000 2.314 124 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.292 124 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.292 124 G C 0.809 175.735 174.900 0.043 0.000 1.059 124 G CA 0.030 45.142 45.100 0.019 0.000 0.982 124 G HN 0.182 nan 8.290 nan 0.000 0.505 125 I N 0.058 120.639 120.570 0.017 0.000 2.179 125 I HA -0.112 4.058 4.170 -0.000 0.000 0.242 125 I C 2.743 178.869 176.117 0.014 0.000 1.088 125 I CA 1.934 63.260 61.300 0.043 0.000 1.357 125 I CB -1.011 36.995 38.000 0.010 0.000 1.051 125 I HN 0.548 nan 8.210 nan 0.000 0.409 126 R N 0.671 121.130 120.500 -0.068 0.000 2.096 126 R HA -0.252 4.088 4.340 -0.000 0.000 0.240 126 R C 2.280 178.510 176.300 -0.116 0.000 1.139 126 R CA 1.898 57.909 56.100 -0.148 0.000 0.952 126 R CB -0.006 30.210 30.300 -0.139 0.000 0.854 126 R HN 0.357 nan 8.270 nan 0.000 0.436 127 Q N -0.741 119.038 119.800 -0.035 0.000 2.119 127 Q HA -0.120 4.220 4.340 -0.000 0.000 0.201 127 Q C 1.682 177.702 176.000 0.033 0.000 0.972 127 Q CA 1.558 57.355 55.803 -0.011 0.000 0.847 127 Q CB -0.329 28.422 28.738 0.022 0.000 0.903 127 Q HN 0.323 nan 8.270 nan 0.000 0.433 128 F N 0.061 119.985 119.950 -0.043 0.000 2.134 128 F HA -0.179 4.348 4.527 -0.000 0.000 0.299 128 F C 1.780 177.583 175.800 0.005 0.000 1.097 128 F CA 0.888 58.892 58.000 0.006 0.000 1.264 128 F CB -0.135 38.892 39.000 0.045 0.000 1.001 128 F HN -0.142 nan 8.300 nan 0.000 0.479 129 V N 0.312 120.223 119.914 -0.005 0.000 2.295 129 V HA -0.296 3.823 4.120 -0.000 0.000 0.246 129 V C 2.441 178.378 176.094 -0.261 0.000 1.049 129 V CA 1.917 64.117 62.300 -0.168 0.000 1.024 129 V CB -0.762 30.782 31.823 -0.466 0.000 0.648 129 V HN 0.326 nan 8.190 nan 0.000 0.447 130 Q N -0.217 119.426 119.800 -0.262 0.000 2.170 130 Q HA -0.130 4.210 4.340 -0.000 0.000 0.203 130 Q C 2.517 178.447 176.000 -0.117 0.000 0.976 130 Q CA 1.766 57.446 55.803 -0.205 0.000 0.858 130 Q CB -0.534 28.098 28.738 -0.176 0.000 0.907 130 Q HN 0.621 nan 8.270 nan 0.000 0.433 131 S N 0.211 115.821 115.700 -0.151 0.000 2.368 131 S HA -0.076 4.394 4.470 -0.000 0.000 0.224 131 S C 2.169 176.651 174.600 -0.197 0.000 1.029 131 S CA 0.930 59.031 58.200 -0.165 0.000 0.988 131 S CB -0.078 63.004 63.200 -0.197 0.000 0.838 131 S HN 0.137 nan 8.310 nan 0.000 0.462 132 V N 0.977 120.742 119.914 -0.248 0.000 2.307 132 V HA -0.118 4.002 4.120 -0.000 0.000 0.245 132 V C 1.928 177.964 176.094 -0.097 0.000 1.045 132 V CA 1.592 63.760 62.300 -0.220 0.000 1.024 132 V CB -0.763 30.951 31.823 -0.182 0.000 0.651 132 V HN 0.388 nan 8.190 nan 0.000 0.449 133 F N 1.071 120.870 119.950 -0.252 0.000 2.216 133 F HA -0.113 4.414 4.527 -0.000 0.000 0.300 133 F C 2.466 178.142 175.800 -0.207 0.000 1.085 133 F CA 1.711 59.581 58.000 -0.217 0.000 1.326 133 F CB -0.473 38.421 39.000 -0.177 0.000 1.027 133 F HN 0.211 nan 8.300 nan 0.000 0.497 134 R N -0.074 120.420 120.500 -0.011 0.000 2.297 134 R HA 0.314 4.654 4.340 -0.000 0.000 0.197 134 R C 1.239 177.470 176.300 -0.115 0.000 0.943 134 R CA 0.929 56.996 56.100 -0.055 0.000 1.038 134 R CB -0.168 30.113 30.300 -0.031 0.000 0.957 134 R HN 0.199 nan 8.270 nan 0.000 0.484 135 G N 0.731 109.424 108.800 -0.177 0.000 2.138 135 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.193 135 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.193 135 G C -0.553 174.255 174.900 -0.154 0.000 0.998 135 G CA -0.162 44.805 45.100 -0.222 0.000 0.668 135 G HN 0.452 nan 8.290 nan 0.000 0.516 136 E N 0.064 120.187 120.200 -0.128 0.000 2.383 136 E HA 0.292 4.642 4.350 -0.000 0.000 0.264 136 E C 0.551 177.104 176.600 -0.078 0.000 1.050 136 E CA -0.448 55.899 56.400 -0.088 0.000 0.896 136 E CB 0.600 30.252 29.700 -0.081 0.000 0.982 136 E HN 0.295 nan 8.360 nan 0.000 0.424 137 R N 1.835 122.321 120.500 -0.023 0.000 3.688 137 R HA -0.012 4.328 4.340 -0.000 0.000 0.194 137 R C 1.278 177.609 176.300 0.052 0.000 1.677 137 R CA -0.137 55.975 56.100 0.020 0.000 1.351 137 R CB -0.456 29.874 30.300 0.051 0.000 1.338 137 R HN 0.398 nan 8.270 nan 0.000 0.731 138 V N -1.454 118.472 119.914 0.021 0.000 2.809 138 V HA -0.078 4.042 4.120 -0.000 0.000 0.256 138 V C 0.933 177.174 176.094 0.245 0.000 1.080 138 V CA 0.949 63.310 62.300 0.102 0.000 1.102 138 V CB -0.312 31.465 31.823 -0.077 0.000 0.705 138 V HN 0.374 nan 8.190 nan 0.000 0.475 139 N N 2.375 121.201 118.700 0.209 0.000 2.895 139 N HA 0.059 4.798 4.740 -0.000 0.000 0.277 139 N C 1.269 176.919 175.510 0.234 0.000 1.185 139 N CA 0.819 54.039 53.050 0.283 0.000 1.106 139 N CB 0.304 38.944 38.487 0.254 0.000 1.422 139 N HN 0.693 nan 8.380 nan 0.000 0.521 140 T N -1.651 113.046 114.554 0.238 0.000 2.833 140 T HA -0.198 4.152 4.350 -0.000 0.000 0.269 140 T C 1.791 176.619 174.700 0.213 0.000 1.054 140 T CA 1.851 64.070 62.100 0.200 0.000 1.135 140 T CB -0.678 68.300 68.868 0.183 0.000 0.869 140 T HN 0.448 nan 8.240 nan 0.000 0.466 141 T N 0.194 114.915 114.554 0.279 0.000 2.904 141 T HA 0.034 4.384 4.350 -0.000 0.000 0.267 141 T C 1.694 176.644 174.700 0.417 0.000 1.059 141 T CA 1.032 63.343 62.100 0.350 0.000 1.137 141 T CB -0.315 68.888 68.868 0.558 0.000 0.879 141 T HN 0.590 nan 8.240 nan 0.000 0.467 142 E N 0.583 120.996 120.200 0.355 0.000 2.489 142 E HA 0.187 4.537 4.350 -0.000 0.000 0.204 142 E C 0.104 176.828 176.600 0.206 0.000 1.006 142 E CA -0.305 56.272 56.400 0.295 0.000 0.936 142 E CB 0.118 29.934 29.700 0.193 0.000 1.002 142 E HN 0.420 nan 8.360 nan 0.000 0.488 143 N N 1.951 120.763 118.700 0.188 0.000 2.696 143 N HA -0.196 4.544 4.740 -0.000 0.000 0.256 143 N C -1.348 174.243 175.510 0.134 0.000 1.031 143 N CA 0.648 53.785 53.050 0.145 0.000 0.730 143 N CB -0.729 37.832 38.487 0.125 0.000 0.894 143 N HN 0.129 nan 8.380 nan 0.000 0.544 144 R N -0.130 120.455 120.500 0.142 0.000 2.795 144 R HA 0.584 4.924 4.340 -0.000 0.000 0.275 144 R C -2.531 173.836 176.300 0.111 0.000 0.981 144 R CA -1.837 54.350 56.100 0.145 0.000 0.917 144 R CB 1.712 32.113 30.300 0.168 0.000 1.202 144 R HN 0.080 nan 8.270 nan 0.000 0.469 145 P HA 0.159 nan 4.420 nan 0.000 0.276 145 P C -0.935 176.367 177.300 0.004 0.000 1.261 145 P CA -0.484 62.612 63.100 -0.006 0.000 0.800 145 P CB 0.724 32.367 31.700 -0.095 0.000 1.066 146 V N 2.518 122.333 119.914 -0.164 0.000 2.327 146 V HA 0.247 4.367 4.120 -0.000 0.000 0.272 146 V C 0.085 175.982 176.094 -0.328 0.000 1.019 146 V CA 0.019 62.159 62.300 -0.267 0.000 0.814 146 V CB 0.256 31.673 31.823 -0.676 0.000 1.040 146 V HN 0.414 nan 8.190 nan 0.000 0.440 147 L N 4.805 125.951 121.223 -0.127 0.000 3.096 147 L HA 0.334 4.674 4.340 -0.000 0.000 0.272 147 L C 1.735 178.589 176.870 -0.027 0.000 1.311 147 L CA -0.307 54.355 54.840 -0.296 0.000 0.943 147 L CB 0.069 41.701 42.059 -0.711 0.000 1.348 147 L HN 0.756 nan 8.230 nan 0.000 0.562 148 H N -0.045 119.050 119.070 0.041 0.000 2.491 148 H HA -0.092 4.464 4.556 -0.000 0.000 0.290 148 H C 1.941 177.229 175.328 -0.067 0.000 1.050 148 H CA 1.339 57.470 56.048 0.138 0.000 1.309 148 H CB -0.229 29.653 29.762 0.200 0.000 1.392 148 H HN 0.634 nan 8.280 nan 0.000 0.554 149 I N -0.231 120.054 120.570 -0.475 0.000 2.614 149 I HA 0.077 4.247 4.170 -0.000 0.000 0.258 149 I C 2.551 178.489 176.117 -0.299 0.000 1.189 149 I CA 1.181 62.201 61.300 -0.468 0.000 1.462 149 I CB -0.344 37.131 38.000 -0.874 0.000 1.092 149 I HN 0.139 nan 8.210 nan 0.000 0.442 150 A N 1.662 124.329 122.820 -0.255 0.000 1.968 150 A HA 0.086 4.406 4.320 -0.000 0.000 0.217 150 A C 2.257 179.840 177.584 -0.002 0.000 1.169 150 A CA 1.317 53.238 52.037 -0.194 0.000 0.638 150 A CB -0.913 17.856 19.000 -0.385 0.000 0.812 150 A HN 0.545 nan 8.150 nan 0.000 0.446 151 L N -0.290 121.023 121.223 0.151 0.000 2.191 151 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 151 L C 2.319 179.283 176.870 0.156 0.000 1.103 151 L CA 1.413 56.414 54.840 0.269 0.000 0.769 151 L CB -0.361 41.951 42.059 0.423 0.000 0.908 151 L HN 0.533 nan 8.230 nan 0.000 0.438 152 R N -0.589 119.911 120.500 0.000 0.000 2.577 152 R HA 0.100 4.439 4.340 -0.000 0.000 0.344 152 R C 0.112 176.313 176.300 -0.165 0.000 1.037 152 R CA -0.216 55.842 56.100 -0.071 0.000 1.102 152 R CB -0.671 29.510 30.300 -0.197 0.000 1.313 152 R HN 0.037 nan 8.270 nan 0.000 0.561 153 N N 2.315 120.911 118.700 -0.173 0.000 2.671 153 N HA 0.013 4.753 4.740 -0.000 0.000 0.274 153 N C 0.508 175.762 175.510 -0.426 0.000 1.188 153 N CA -0.174 52.694 53.050 -0.303 0.000 1.065 153 N CB 0.544 38.938 38.487 -0.155 0.000 1.415 153 N HN 0.059 nan 8.380 nan 0.000 0.511 154 R N 0.684 120.707 120.500 -0.795 0.000 2.189 154 R HA -0.054 4.286 4.340 -0.000 0.000 0.223 154 R C 1.649 177.783 176.300 -0.275 0.000 1.092 154 R CA 0.854 56.688 56.100 -0.445 0.000 0.989 154 R CB -0.900 29.188 30.300 -0.353 0.000 0.876 154 R HN 0.643 nan 8.270 nan 0.000 0.457 155 S N 0.691 116.220 115.700 -0.285 0.000 2.489 155 S HA -0.062 4.408 4.470 -0.000 0.000 0.228 155 S C 0.629 175.202 174.600 -0.046 0.000 0.995 155 S CA 0.085 58.264 58.200 -0.035 0.000 0.934 155 S CB -0.185 63.084 63.200 0.116 0.000 0.771 155 S HN 0.245 nan 8.310 nan 0.000 0.522 156 N N 0.996 119.640 118.700 -0.093 0.000 2.725 156 N HA -0.141 4.599 4.740 -0.000 0.000 0.249 156 N C -0.498 174.970 175.510 -0.070 0.000 1.103 156 N CA 0.651 53.655 53.050 -0.078 0.000 0.707 156 N CB -1.353 37.103 38.487 -0.051 0.000 1.043 156 N HN 0.621 nan 8.380 nan 0.000 0.553 157 R N 1.093 121.558 120.500 -0.058 0.000 2.389 157 R HA 0.204 4.544 4.340 -0.000 0.000 0.295 157 R C -1.939 174.291 176.300 -0.116 0.000 1.075 157 R CA -1.094 54.975 56.100 -0.052 0.000 1.005 157 R CB 0.496 30.790 30.300 -0.010 0.000 0.987 157 R HN -0.004 nan 8.270 nan 0.000 0.452 158 P HA -0.020 nan 4.420 nan 0.000 0.264 158 P C -0.700 176.386 177.300 -0.357 0.000 1.193 158 P CA 0.575 63.477 63.100 -0.331 0.000 0.763 158 P CB 0.481 31.969 31.700 -0.354 0.000 0.810 159 I N 3.872 124.138 120.570 -0.507 0.000 2.478 159 I HA 0.280 4.449 4.170 -0.000 0.000 0.287 159 I C -0.459 175.338 176.117 -0.534 0.000 1.042 159 I CA -0.805 60.258 61.300 -0.396 0.000 1.067 159 I CB 1.246 39.025 38.000 -0.370 0.000 1.233 159 I HN 0.243 nan 8.210 nan 0.000 0.431 160 Y N 5.314 125.494 120.300 -0.201 0.000 2.342 160 Y HA 0.661 5.211 4.550 -0.000 0.000 0.334 160 Y C -0.097 175.680 175.900 -0.206 0.000 1.067 160 Y CA -0.900 57.094 58.100 -0.177 0.000 1.128 160 Y CB 1.699 40.090 38.460 -0.115 0.000 1.200 160 Y HN 0.126 nan 8.280 nan 0.000 0.464 161 V N 3.134 123.029 119.914 -0.033 0.000 2.524 161 V HA 0.215 4.335 4.120 -0.000 0.000 0.297 161 V C -0.779 175.338 176.094 0.038 0.000 1.035 161 V CA -1.193 61.077 62.300 -0.050 0.000 0.867 161 V CB 1.496 33.237 31.823 -0.136 0.000 1.004 161 V HN 0.912 nan 8.190 nan 0.000 0.426 162 D N 3.921 124.349 120.400 0.047 0.000 2.945 162 D HA -0.184 4.455 4.640 -0.000 0.000 0.225 162 D C 1.315 177.649 176.300 0.057 0.000 1.158 162 D CA 1.988 56.020 54.000 0.054 0.000 0.805 162 D CB -1.126 39.715 40.800 0.069 0.000 1.098 162 D HN 1.540 nan 8.370 nan 0.000 0.426 163 G N -0.227 108.616 108.800 0.071 0.000 2.159 163 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.256 163 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.256 163 G C 0.246 175.256 174.900 0.183 0.000 0.977 163 G CA 0.779 45.924 45.100 0.076 0.000 0.652 163 G HN 0.618 nan 8.290 nan 0.000 0.531 164 K N 0.507 121.019 120.400 0.187 0.000 2.324 164 K HA 0.453 4.773 4.320 -0.000 0.000 0.253 164 K C -1.089 175.510 176.600 -0.001 0.000 0.932 164 K CA -0.876 55.489 56.287 0.129 0.000 0.799 164 K CB 1.181 33.715 32.500 0.058 0.000 1.154 164 K HN 0.009 nan 8.250 nan 0.000 0.425 165 D N 3.270 123.569 120.400 -0.168 0.000 2.417 165 D HA -0.031 4.609 4.640 -0.000 0.000 0.250 165 D C 1.101 177.229 176.300 -0.287 0.000 1.166 165 D CA -0.188 53.522 54.000 -0.483 0.000 0.881 165 D CB 1.420 41.934 40.800 -0.477 0.000 1.164 165 D HN 0.336 nan 8.370 nan 0.000 0.467 166 V N 2.368 122.077 119.914 -0.341 0.000 3.041 166 V HA -0.112 4.008 4.120 -0.000 0.000 0.260 166 V C 1.970 177.924 176.094 -0.233 0.000 1.105 166 V CA 0.413 62.537 62.300 -0.293 0.000 1.125 166 V CB -0.525 31.057 31.823 -0.402 0.000 0.730 166 V HN 0.442 nan 8.190 nan 0.000 0.479 167 M N 0.856 120.326 119.600 -0.218 0.000 2.108 167 M HA -0.007 4.473 4.480 -0.000 0.000 0.261 167 M C 0.220 176.487 176.300 -0.055 0.000 1.066 167 M CA 1.689 56.911 55.300 -0.131 0.000 1.107 167 M CB -2.661 29.855 32.600 -0.140 0.000 1.356 167 M HN 0.348 nan 8.290 nan 0.000 0.406 168 P HA -0.023 nan 4.420 nan 0.000 0.218 168 P C 1.296 178.627 177.300 0.052 0.000 1.149 168 P CA 1.730 64.832 63.100 0.003 0.000 0.817 168 P CB -0.099 31.599 31.700 -0.004 0.000 0.785 169 A N -0.746 122.099 122.820 0.042 0.000 1.929 169 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 169 A C 2.278 180.028 177.584 0.277 0.000 1.176 169 A CA 1.416 53.547 52.037 0.156 0.000 0.628 169 A CB -1.577 17.483 19.000 0.101 0.000 0.816 169 A HN -0.006 nan 8.150 nan 0.000 0.444 170 V N 1.131 121.122 119.914 0.130 0.000 2.295 170 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 170 V C 2.197 178.457 176.094 0.276 0.000 1.049 170 V CA 2.137 64.603 62.300 0.277 0.000 1.024 170 V CB -0.876 31.039 31.823 0.153 0.000 0.648 170 V HN 0.551 nan 8.190 nan 0.000 0.447 171 N N -0.019 118.785 118.700 0.173 0.000 2.309 171 N HA -0.143 4.597 4.740 -0.000 0.000 0.182 171 N C 1.805 177.411 175.510 0.160 0.000 1.018 171 N CA 1.079 54.224 53.050 0.159 0.000 0.876 171 N CB -0.263 38.285 38.487 0.102 0.000 0.972 171 N HN 0.509 nan 8.380 nan 0.000 0.434 172 K N 0.924 121.418 120.400 0.158 0.000 2.057 172 K HA -0.017 4.303 4.320 -0.000 0.000 0.206 172 K C 1.684 178.369 176.600 0.143 0.000 1.050 172 K CA 0.757 57.122 56.287 0.130 0.000 0.935 172 K CB 0.152 32.726 32.500 0.123 0.000 0.715 172 K HN -0.113 nan 8.250 nan 0.000 0.439 173 V N 1.685 121.726 119.914 0.212 0.000 2.427 173 V HA -0.214 3.905 4.120 -0.000 0.000 0.248 173 V C 2.253 178.481 176.094 0.223 0.000 1.051 173 V CA 1.358 63.783 62.300 0.209 0.000 1.048 173 V CB -0.308 31.671 31.823 0.260 0.000 0.666 173 V HN 0.316 nan 8.190 nan 0.000 0.456 174 L N 0.111 121.480 121.223 0.243 0.000 2.131 174 L HA -0.194 4.145 4.340 -0.000 0.000 0.210 174 L C 2.301 179.293 176.870 0.204 0.000 1.092 174 L CA 1.972 56.969 54.840 0.261 0.000 0.759 174 L CB -0.506 41.752 42.059 0.331 0.000 0.903 174 L HN 0.419 nan 8.230 nan 0.000 0.435 175 D N -0.704 119.775 120.400 0.133 0.000 2.183 175 D HA -0.226 4.414 4.640 -0.000 0.000 0.203 175 D C 2.225 178.547 176.300 0.037 0.000 0.969 175 D CA 0.864 54.880 54.000 0.027 0.000 0.842 175 D CB 0.167 40.985 40.800 0.029 0.000 0.957 175 D HN 0.195 nan 8.370 nan 0.000 0.484 176 Q N -0.609 119.245 119.800 0.091 0.000 2.119 176 Q HA -0.117 4.223 4.340 -0.000 0.000 0.201 176 Q C 2.081 178.254 176.000 0.288 0.000 0.972 176 Q CA 0.906 56.770 55.803 0.102 0.000 0.847 176 Q CB -0.000 28.725 28.738 -0.022 0.000 0.903 176 Q HN 0.366 nan 8.270 nan 0.000 0.433 177 M N -0.306 119.478 119.600 0.307 0.000 2.175 177 M HA -0.160 4.319 4.480 -0.000 0.000 0.264 177 M C 2.330 178.710 176.300 0.133 0.000 1.063 177 M CA 1.386 56.834 55.300 0.247 0.000 1.119 177 M CB -0.203 32.432 32.600 0.058 0.000 1.377 177 M HN 0.124 nan 8.290 nan 0.000 0.415 178 R N -0.294 120.238 120.500 0.053 0.000 2.070 178 R HA -0.169 4.171 4.340 -0.000 0.000 0.233 178 R C 2.413 178.687 176.300 -0.044 0.000 1.137 178 R CA 2.087 58.125 56.100 -0.104 0.000 0.945 178 R CB -0.457 29.527 30.300 -0.527 0.000 0.845 178 R HN 0.253 nan 8.270 nan 0.000 0.430 179 S N -0.384 115.321 115.700 0.009 0.000 2.359 179 S HA -0.195 4.275 4.470 -0.000 0.000 0.224 179 S C 1.736 176.412 174.600 0.127 0.000 1.035 179 S CA 1.457 59.692 58.200 0.059 0.000 1.018 179 S CB -0.467 62.783 63.200 0.082 0.000 0.876 179 S HN 0.471 nan 8.310 nan 0.000 0.448 180 F N 2.696 122.673 119.950 0.046 0.000 2.113 180 F HA -0.035 4.492 4.527 -0.000 0.000 0.297 180 F C 2.684 178.433 175.800 -0.085 0.000 1.103 180 F CA 1.949 59.953 58.000 0.007 0.000 1.248 180 F CB -0.942 38.119 39.000 0.103 0.000 0.999 180 F HN 0.391 nan 8.300 nan 0.000 0.475 181 S N -0.392 115.232 115.700 -0.128 0.000 2.383 181 S HA -0.199 4.271 4.470 -0.000 0.000 0.229 181 S C 1.869 176.345 174.600 -0.208 0.000 1.030 181 S CA 1.314 59.371 58.200 -0.237 0.000 1.002 181 S CB -0.664 62.473 63.200 -0.106 0.000 0.829 181 S HN 0.451 nan 8.310 nan 0.000 0.467 182 E N 1.743 121.874 120.200 -0.115 0.000 2.106 182 E HA -0.009 4.341 4.350 -0.000 0.000 0.192 182 E C 2.063 178.612 176.600 -0.085 0.000 0.984 182 E CA 0.928 57.285 56.400 -0.073 0.000 0.806 182 E CB -0.248 29.432 29.700 -0.032 0.000 0.750 182 E HN 0.667 nan 8.360 nan 0.000 0.458 183 K N 0.317 120.656 120.400 -0.102 0.000 2.097 183 K HA -0.061 4.258 4.320 -0.000 0.000 0.205 183 K C 2.199 178.747 176.600 -0.088 0.000 1.050 183 K CA 0.903 57.171 56.287 -0.031 0.000 0.938 183 K CB 0.036 32.608 32.500 0.120 0.000 0.718 183 K HN -0.051 nan 8.250 nan 0.000 0.442 184 V N 1.174 120.898 119.914 -0.317 0.000 2.323 184 V HA -0.196 3.924 4.120 -0.000 0.000 0.244 184 V C 2.153 178.141 176.094 -0.177 0.000 1.041 184 V CA 1.556 63.664 62.300 -0.320 0.000 1.025 184 V CB -0.410 31.058 31.823 -0.592 0.000 0.656 184 V HN 0.244 nan 8.190 nan 0.000 0.451 185 R N 0.643 121.046 120.500 -0.163 0.000 2.096 185 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 185 R C 2.367 178.628 176.300 -0.066 0.000 1.127 185 R CA 1.917 57.955 56.100 -0.103 0.000 0.968 185 R CB -0.686 29.565 30.300 -0.082 0.000 0.861 185 R HN 0.722 nan 8.270 nan 0.000 0.440 186 T N -3.411 111.112 114.554 -0.052 0.000 3.088 186 T HA 0.141 4.491 4.350 -0.000 0.000 0.259 186 T C 1.434 176.120 174.700 -0.023 0.000 1.122 186 T CA 0.672 62.754 62.100 -0.029 0.000 1.095 186 T CB 0.539 69.397 68.868 -0.017 0.000 0.930 186 T HN 0.422 nan 8.240 nan 0.000 0.508 187 G N 1.038 109.824 108.800 -0.023 0.000 2.157 187 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.239 187 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.239 187 G C 0.754 175.659 174.900 0.009 0.000 0.982 187 G CA 0.270 45.364 45.100 -0.010 0.000 0.650 187 G HN 0.461 nan 8.290 nan 0.000 0.527 188 E N -0.928 119.285 120.200 0.022 0.000 2.152 188 E HA -0.024 4.326 4.350 -0.000 0.000 0.192 188 E C 1.100 177.730 176.600 0.049 0.000 0.983 188 E CA 0.261 56.678 56.400 0.029 0.000 0.818 188 E CB 0.027 29.748 29.700 0.035 0.000 0.758 188 E HN 0.643 nan 8.360 nan 0.000 0.467 189 W N 2.973 124.215 121.300 -0.095 0.000 2.356 189 W HA 0.061 4.721 4.660 -0.000 0.000 0.311 189 W C -0.184 176.288 176.519 -0.078 0.000 1.328 189 W CA -0.065 57.227 57.345 -0.088 0.000 1.251 189 W CB 0.412 29.771 29.460 -0.168 0.000 1.280 189 W HN -0.244 nan 8.180 nan 0.000 0.524 190 K N 4.182 124.421 120.400 -0.268 0.000 2.156 190 K HA 0.542 4.861 4.320 -0.000 0.000 0.250 190 K C 0.469 176.957 176.600 -0.187 0.000 0.955 190 K CA -0.620 55.576 56.287 -0.152 0.000 0.855 190 K CB 1.445 33.860 32.500 -0.142 0.000 1.101 190 K HN 0.579 nan 8.250 nan 0.000 0.434 191 G N -0.342 108.412 108.800 -0.077 0.000 2.535 191 G HA2 0.000 3.960 3.960 -0.000 0.000 0.282 191 G HA3 0.000 3.960 3.960 -0.000 0.000 0.282 191 G C 0.678 175.637 174.900 0.097 0.000 1.350 191 G CA 0.042 45.059 45.100 -0.138 0.000 1.039 191 G HN 0.739 nan 8.290 nan 0.000 0.509 192 H N -0.939 118.320 119.070 0.315 0.000 2.421 192 H HA -0.102 4.454 4.556 -0.000 0.000 0.298 192 H C 2.609 178.032 175.328 0.158 0.000 1.087 192 H CA 2.248 58.452 56.048 0.259 0.000 1.330 192 H CB 0.063 30.038 29.762 0.355 0.000 1.388 192 H HN 0.442 nan 8.280 nan 0.000 0.526 193 T N -3.939 110.720 114.554 0.175 0.000 3.122 193 T HA 0.280 4.630 4.350 -0.000 0.000 0.250 193 T C 1.552 176.270 174.700 0.032 0.000 1.067 193 T CA 0.400 62.542 62.100 0.069 0.000 0.966 193 T CB 0.008 68.962 68.868 0.143 0.000 1.002 193 T HN 0.497 nan 8.240 nan 0.000 0.542 194 G N 1.429 110.242 108.800 0.021 0.000 2.157 194 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.239 194 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.239 194 G C -0.062 174.842 174.900 0.007 0.000 0.982 194 G CA -0.229 44.866 45.100 -0.008 0.000 0.650 194 G HN 0.622 nan 8.290 nan 0.000 0.527 195 K N 0.665 121.087 120.400 0.038 0.000 2.144 195 K HA 0.663 4.983 4.320 -0.000 0.000 0.270 195 K C 0.759 177.375 176.600 0.027 0.000 1.005 195 K CA 0.093 56.403 56.287 0.038 0.000 0.932 195 K CB 1.510 34.048 32.500 0.063 0.000 1.021 195 K HN 0.475 nan 8.250 nan 0.000 0.462 196 A N 2.970 125.800 122.820 0.016 0.000 2.386 196 A HA 0.213 4.533 4.320 -0.000 0.000 0.248 196 A C 0.238 177.830 177.584 0.014 0.000 1.082 196 A CA -0.529 51.516 52.037 0.013 0.000 0.789 196 A CB 0.111 19.109 19.000 -0.004 0.000 1.025 196 A HN 0.555 nan 8.150 nan 0.000 0.490 197 I N 2.199 122.777 120.570 0.014 0.000 2.533 197 I HA 0.133 4.302 4.170 -0.000 0.000 0.284 197 I C 1.132 177.203 176.117 -0.076 0.000 1.109 197 I CA 0.517 61.807 61.300 -0.017 0.000 1.412 197 I CB 0.323 38.302 38.000 -0.035 0.000 1.396 197 I HN 0.759 nan 8.210 nan 0.000 0.543 198 R N 4.366 124.804 120.500 -0.102 0.000 2.369 198 R HA 0.188 4.528 4.340 -0.000 0.000 0.210 198 R C -0.046 175.994 176.300 -0.434 0.000 0.881 198 R CA 0.200 56.151 56.100 -0.249 0.000 1.031 198 R CB 0.604 30.743 30.300 -0.269 0.000 1.184 198 R HN 0.590 nan 8.270 nan 0.000 0.581 199 H N 0.194 119.214 119.070 -0.084 0.000 2.529 199 H HA 0.374 4.930 4.556 -0.000 0.000 0.348 199 H C -0.819 174.410 175.328 -0.166 0.000 1.079 199 H CA -0.642 55.362 56.048 -0.072 0.000 1.198 199 H CB 2.770 32.473 29.762 -0.097 0.000 1.521 199 H HN -0.267 nan 8.280 nan 0.000 0.514 200 V N 4.272 124.156 119.914 -0.049 0.000 2.350 200 V HA 0.166 4.286 4.120 -0.000 0.000 0.285 200 V C 0.007 175.969 176.094 -0.219 0.000 1.014 200 V CA -0.736 61.453 62.300 -0.185 0.000 0.831 200 V CB 1.696 33.395 31.823 -0.207 0.000 1.000 200 V HN 0.448 nan 8.190 nan 0.000 0.433 201 V N 4.544 124.280 119.914 -0.296 0.000 2.334 201 V HA 0.363 4.483 4.120 -0.000 0.000 0.281 201 V C 0.085 176.063 176.094 -0.192 0.000 1.016 201 V CA -0.661 61.485 62.300 -0.256 0.000 0.832 201 V CB 1.492 33.155 31.823 -0.267 0.000 0.999 201 V HN 0.898 nan 8.190 nan 0.000 0.439 202 N N 4.569 123.101 118.700 -0.281 0.000 2.472 202 N HA 0.507 5.247 4.740 -0.000 0.000 0.277 202 N C -0.840 174.656 175.510 -0.023 0.000 1.081 202 N CA -0.273 52.695 53.050 -0.137 0.000 0.973 202 N CB 0.813 39.228 38.487 -0.119 0.000 1.105 202 N HN 0.632 nan 8.380 nan 0.000 0.470 203 I N 2.745 123.328 120.570 0.022 0.000 2.420 203 I HA 0.599 4.769 4.170 -0.000 0.000 0.282 203 I C 0.454 176.575 176.117 0.007 0.000 1.019 203 I CA -0.570 60.745 61.300 0.025 0.000 1.130 203 I CB 1.342 39.366 38.000 0.040 0.000 1.262 203 I HN 0.606 nan 8.210 nan 0.000 0.454 204 G N 5.868 114.680 108.800 0.020 0.000 2.489 204 G HA2 0.598 4.557 3.960 -0.000 0.000 0.291 204 G HA3 0.598 4.557 3.960 -0.000 0.000 0.291 204 G C -2.128 172.787 174.900 0.025 0.000 1.487 204 G CA -0.476 44.629 45.100 0.008 0.000 0.795 204 G HN 0.457 nan 8.290 nan 0.000 0.513 205 I N 0.027 120.601 120.570 0.007 0.000 2.828 205 I HA 0.649 4.819 4.170 -0.000 0.000 0.302 205 I C 1.084 177.193 176.117 -0.013 0.000 1.101 205 I CA 0.814 62.119 61.300 0.008 0.000 1.031 205 I CB 2.016 40.019 38.000 0.006 0.000 1.231 205 I HN 1.844 nan 8.210 nan 0.000 0.427 206 G N 4.109 112.892 108.800 -0.029 0.000 2.602 206 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.310 206 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.310 206 G C 0.938 175.793 174.900 -0.075 0.000 1.183 206 G CA 0.484 45.548 45.100 -0.061 0.000 0.979 206 G HN 1.265 nan 8.290 nan 0.000 0.545 207 G N -0.446 108.311 108.800 -0.071 0.000 2.509 207 G HA2 0.205 4.165 3.960 -0.000 0.000 0.218 207 G HA3 0.205 4.165 3.960 -0.000 0.000 0.218 207 G C 1.537 176.409 174.900 -0.047 0.000 1.124 207 G CA 1.846 46.902 45.100 -0.073 0.000 0.776 207 G HN 1.199 nan 8.290 nan 0.000 0.547 208 S N -0.594 115.092 115.700 -0.023 0.000 2.582 208 S HA 0.240 4.710 4.470 -0.000 0.000 0.234 208 S C 0.733 175.335 174.600 0.004 0.000 0.961 208 S CA 0.335 58.526 58.200 -0.014 0.000 0.953 208 S CB 0.354 63.565 63.200 0.018 0.000 0.800 208 S HN 0.594 nan 8.310 nan 0.000 0.471 209 D N 0.231 120.624 120.400 -0.012 0.000 2.690 209 D HA 0.185 4.825 4.640 -0.000 0.000 0.235 209 D C 1.480 177.726 176.300 -0.091 0.000 1.327 209 D CA -0.170 53.827 54.000 -0.004 0.000 1.264 209 D CB -0.436 40.373 40.800 0.014 0.000 1.574 209 D HN 0.124 nan 8.370 nan 0.000 0.421 210 L N 0.865 122.040 121.223 -0.080 0.000 2.043 210 L HA 0.003 4.342 4.340 -0.000 0.000 0.212 210 L C 2.454 179.329 176.870 0.009 0.000 1.075 210 L CA 1.781 56.582 54.840 -0.066 0.000 0.752 210 L CB -0.679 41.345 42.059 -0.059 0.000 0.891 210 L HN 0.286 nan 8.230 nan 0.000 0.432 211 G N 0.113 108.953 108.800 0.067 0.000 2.453 211 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.215 211 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.215 211 G C -0.703 174.056 174.900 -0.236 0.000 1.201 211 G CA 0.642 45.703 45.100 -0.066 0.000 0.784 211 G HN 0.297 nan 8.290 nan 0.000 0.545 212 P HA -0.051 nan 4.420 nan 0.000 0.215 212 P C 2.170 179.249 177.300 -0.368 0.000 1.153 212 P CA 0.887 63.916 63.100 -0.118 0.000 0.853 212 P CB -0.048 31.709 31.700 0.096 0.000 0.788 213 V N -0.414 119.089 119.914 -0.686 0.000 2.270 213 V HA -0.247 3.873 4.120 -0.000 0.000 0.245 213 V C 2.434 178.207 176.094 -0.536 0.000 1.043 213 V CA 1.819 63.546 62.300 -0.955 0.000 1.014 213 V CB -1.118 30.219 31.823 -0.810 0.000 0.645 213 V HN 0.166 nan 8.190 nan 0.000 0.447 214 M N 0.638 119.977 119.600 -0.434 0.000 2.080 214 M HA -0.188 4.292 4.480 -0.000 0.000 0.260 214 M C 2.152 178.256 176.300 -0.327 0.000 1.068 214 M CA 2.790 57.853 55.300 -0.396 0.000 1.109 214 M CB -0.865 31.478 32.600 -0.428 0.000 1.342 214 M HN 0.334 nan 8.290 nan 0.000 0.405 215 A N -0.160 122.460 122.820 -0.332 0.000 1.930 215 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 215 A C 2.119 179.623 177.584 -0.133 0.000 1.175 215 A CA 2.393 54.280 52.037 -0.250 0.000 0.627 215 A CB -1.297 17.534 19.000 -0.282 0.000 0.815 215 A HN 0.718 nan 8.150 nan 0.000 0.443 216 T N -2.546 111.948 114.554 -0.100 0.000 2.904 216 T HA -0.072 4.278 4.350 -0.000 0.000 0.267 216 T C 1.548 176.254 174.700 0.011 0.000 1.059 216 T CA 1.297 63.396 62.100 -0.002 0.000 1.137 216 T CB -0.175 68.763 68.868 0.116 0.000 0.879 216 T HN 0.385 nan 8.240 nan 0.000 0.467 217 E N 1.674 121.864 120.200 -0.017 0.000 2.072 217 E HA 0.126 4.476 4.350 -0.000 0.000 0.190 217 E C 2.632 179.311 176.600 0.131 0.000 0.982 217 E CA 1.195 57.660 56.400 0.108 0.000 0.803 217 E CB -0.642 29.106 29.700 0.080 0.000 0.755 217 E HN 0.661 nan 8.360 nan 0.000 0.453 218 A N 0.923 123.756 122.820 0.022 0.000 1.930 218 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 218 A C 1.955 179.504 177.584 -0.058 0.000 1.175 218 A CA 0.925 52.981 52.037 0.032 0.000 0.627 218 A CB -0.331 18.646 19.000 -0.038 0.000 0.815 218 A HN 0.180 nan 8.150 nan 0.000 0.443 219 L N -0.871 120.319 121.223 -0.055 0.000 2.928 219 L HA 0.188 4.528 4.340 -0.000 0.000 0.246 219 L C 1.649 178.511 176.870 -0.013 0.000 1.239 219 L CA -0.105 54.760 54.840 0.041 0.000 1.035 219 L CB -0.001 42.090 42.059 0.052 0.000 1.360 219 L HN 0.373 nan 8.230 nan 0.000 0.529 220 K N 1.618 121.876 120.400 -0.235 0.000 2.103 220 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 220 K C -0.665 175.756 176.600 -0.299 0.000 1.048 220 K CA 1.370 57.529 56.287 -0.214 0.000 0.930 220 K CB -0.328 32.105 32.500 -0.112 0.000 0.716 220 K HN 0.212 nan 8.250 nan 0.000 0.444 221 P HA -0.103 nan 4.420 nan 0.000 0.222 221 P C 0.135 177.042 177.300 -0.656 0.000 1.147 221 P CA 1.041 63.754 63.100 -0.645 0.000 0.790 221 P CB 0.090 31.213 31.700 -0.962 0.000 0.780 222 F N -1.225 118.639 119.950 -0.144 0.000 2.660 222 F HA 0.159 4.686 4.527 -0.000 0.000 0.302 222 F C 1.361 177.121 175.800 -0.067 0.000 1.103 222 F CA -0.329 57.617 58.000 -0.090 0.000 1.340 222 F CB -0.607 38.342 39.000 -0.086 0.000 1.048 222 F HN -0.169 nan 8.300 nan 0.000 0.551 223 S N -0.444 115.273 115.700 0.027 0.000 2.672 223 S HA 0.291 4.761 4.470 -0.000 0.000 0.276 223 S C -0.264 174.327 174.600 -0.014 0.000 1.207 223 S CA -0.805 57.402 58.200 0.013 0.000 1.002 223 S CB 1.506 64.702 63.200 -0.007 0.000 0.998 223 S HN 0.304 nan 8.310 nan 0.000 0.542 224 Q N 0.740 120.529 119.800 -0.018 0.000 2.361 224 Q HA 0.240 4.580 4.340 -0.000 0.000 0.250 224 Q C 0.761 176.733 176.000 -0.048 0.000 1.023 224 Q CA -0.836 54.948 55.803 -0.033 0.000 0.915 224 Q CB 0.496 29.212 28.738 -0.038 0.000 1.238 224 Q HN 0.597 nan 8.270 nan 0.000 0.451 225 R N 2.243 122.713 120.500 -0.049 0.000 2.193 225 R HA -0.126 4.214 4.340 -0.000 0.000 0.229 225 R C 0.697 176.958 176.300 -0.065 0.000 1.110 225 R CA 1.223 57.291 56.100 -0.053 0.000 0.988 225 R CB -0.127 30.145 30.300 -0.047 0.000 0.871 225 R HN 0.723 nan 8.270 nan 0.000 0.458 226 D N -0.344 120.014 120.400 -0.070 0.000 2.349 226 D HA -0.047 4.593 4.640 -0.000 0.000 0.224 226 D C 0.397 176.622 176.300 -0.125 0.000 1.029 226 D CA 0.207 54.154 54.000 -0.087 0.000 0.879 226 D CB -0.115 40.641 40.800 -0.073 0.000 0.906 226 D HN 0.087 nan 8.370 nan 0.000 0.528 227 L N 0.728 121.876 121.223 -0.124 0.000 2.287 227 L HA 0.347 4.687 4.340 -0.000 0.000 0.287 227 L C -0.238 176.532 176.870 -0.166 0.000 1.022 227 L CA -0.666 54.080 54.840 -0.158 0.000 0.814 227 L CB 1.832 43.811 42.059 -0.134 0.000 1.217 227 L HN -0.184 nan 8.230 nan 0.000 0.420 228 S N 4.760 120.328 115.700 -0.220 0.000 2.438 228 S HA 0.548 5.017 4.470 -0.000 0.000 0.293 228 S C -0.182 174.252 174.600 -0.278 0.000 1.141 228 S CA -0.569 57.503 58.200 -0.214 0.000 1.080 228 S CB 0.615 63.748 63.200 -0.112 0.000 0.978 228 S HN 0.339 nan 8.310 nan 0.000 0.479 229 L N 5.191 126.200 121.223 -0.356 0.000 2.289 229 L HA 0.537 4.877 4.340 -0.000 0.000 0.285 229 L C 0.113 176.585 176.870 -0.663 0.000 1.049 229 L CA -0.581 54.006 54.840 -0.422 0.000 0.804 229 L CB 0.593 42.520 42.059 -0.219 0.000 1.195 229 L HN 0.572 nan 8.230 nan 0.000 0.428 230 H N 3.319 122.105 119.070 -0.473 0.000 2.637 230 H HA 0.453 5.009 4.556 -0.000 0.000 0.363 230 H C -1.364 173.559 175.328 -0.675 0.000 1.131 230 H CA -0.523 55.316 56.048 -0.348 0.000 1.183 230 H CB 2.368 32.009 29.762 -0.202 0.000 1.637 230 H HN 0.360 nan 8.280 nan 0.000 0.531 231 F N 1.317 121.276 119.950 0.015 0.000 2.513 231 F HA 0.227 4.754 4.527 -0.000 0.000 0.358 231 F C -0.004 175.641 175.800 -0.260 0.000 1.118 231 F CA -0.751 57.208 58.000 -0.069 0.000 1.037 231 F CB 1.481 40.459 39.000 -0.038 0.000 1.276 231 F HN 0.123 nan 8.300 nan 0.000 0.446 232 V N 3.129 122.960 119.914 -0.138 0.000 2.383 232 V HA 0.339 4.459 4.120 -0.000 0.000 0.275 232 V C 0.371 176.411 176.094 -0.090 0.000 1.036 232 V CA 0.321 62.433 62.300 -0.314 0.000 0.889 232 V CB 1.183 32.937 31.823 -0.115 0.000 0.985 232 V HN 0.946 nan 8.190 nan 0.000 0.459 233 S N 3.113 118.835 115.700 0.036 0.000 3.265 233 S HA 0.153 4.623 4.470 -0.000 0.000 0.259 233 S C 0.692 175.424 174.600 0.220 0.000 1.089 233 S CA -0.253 58.054 58.200 0.177 0.000 0.811 233 S CB -0.107 63.208 63.200 0.192 0.000 0.858 233 S HN 0.540 nan 8.310 nan 0.000 0.452 234 N N 1.843 120.783 118.700 0.400 0.000 2.492 234 N HA 0.152 4.892 4.740 -0.000 0.000 0.260 234 N C 0.735 176.327 175.510 0.137 0.000 1.215 234 N CA 0.293 53.442 53.050 0.165 0.000 0.923 234 N CB 1.544 40.029 38.487 -0.003 0.000 1.092 234 N HN 0.173 nan 8.380 nan 0.000 0.448 235 V N 1.848 121.801 119.914 0.064 0.000 3.217 235 V HA -0.061 4.059 4.120 -0.000 0.000 0.264 235 V C 0.324 176.447 176.094 0.050 0.000 1.135 235 V CA 0.464 62.794 62.300 0.050 0.000 1.142 235 V CB -0.715 31.122 31.823 0.023 0.000 0.754 235 V HN 0.668 nan 8.190 nan 0.000 0.484 236 D N 0.574 120.999 120.400 0.041 0.000 2.472 236 D HA 0.068 4.707 4.640 -0.000 0.000 0.248 236 D C 1.507 177.843 176.300 0.060 0.000 1.174 236 D CA 0.927 54.947 54.000 0.032 0.000 0.883 236 D CB 1.388 42.186 40.800 -0.003 0.000 1.149 236 D HN 0.273 nan 8.370 nan 0.000 0.488 237 G N 3.260 112.092 108.800 0.054 0.000 2.532 237 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.222 237 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.222 237 G C 1.474 176.416 174.900 0.071 0.000 1.102 237 G CA 1.207 46.343 45.100 0.059 0.000 0.742 237 G HN 0.589 nan 8.290 nan 0.000 0.577 238 T N -0.533 114.059 114.554 0.065 0.000 2.759 238 T HA -0.133 4.216 4.350 -0.000 0.000 0.269 238 T C 1.904 176.687 174.700 0.139 0.000 1.042 238 T CA 1.397 63.539 62.100 0.071 0.000 1.140 238 T CB -0.350 68.539 68.868 0.034 0.000 0.864 238 T HN 0.594 nan 8.240 nan 0.000 0.455 239 H N -0.493 118.602 119.070 0.042 0.000 2.321 239 H HA -0.019 4.537 4.556 -0.000 0.000 0.300 239 H C 2.370 177.730 175.328 0.054 0.000 1.087 239 H CA 1.298 57.379 56.048 0.055 0.000 1.319 239 H CB -0.046 29.751 29.762 0.058 0.000 1.379 239 H HN 0.241 nan 8.280 nan 0.000 0.501 240 I N 0.423 121.082 120.570 0.148 0.000 2.439 240 I HA -0.127 4.043 4.170 -0.000 0.000 0.251 240 I C 2.401 178.553 176.117 0.058 0.000 1.139 240 I CA 1.120 62.463 61.300 0.072 0.000 1.438 240 I CB -0.178 37.858 38.000 0.059 0.000 1.085 240 I HN 0.249 nan 8.210 nan 0.000 0.427 241 A N 0.265 123.125 122.820 0.067 0.000 1.877 241 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 241 A C 2.212 179.820 177.584 0.039 0.000 1.186 241 A CA 1.780 53.845 52.037 0.047 0.000 0.620 241 A CB -0.648 18.381 19.000 0.048 0.000 0.822 241 A HN 0.474 nan 8.150 nan 0.000 0.443 242 E N -0.269 119.969 120.200 0.064 0.000 2.152 242 E HA -0.071 4.279 4.350 -0.000 0.000 0.192 242 E C 2.145 178.761 176.600 0.027 0.000 0.983 242 E CA 1.064 57.500 56.400 0.060 0.000 0.818 242 E CB -0.380 29.383 29.700 0.105 0.000 0.758 242 E HN 0.394 nan 8.360 nan 0.000 0.467 243 V N 1.381 121.300 119.914 0.009 0.000 2.453 243 V HA -0.172 3.948 4.120 -0.000 0.000 0.247 243 V C 2.398 178.397 176.094 -0.158 0.000 1.048 243 V CA 0.988 63.232 62.300 -0.093 0.000 1.049 243 V CB -0.362 31.408 31.823 -0.088 0.000 0.672 243 V HN 0.212 nan 8.190 nan 0.000 0.457 244 L N -0.470 120.712 121.223 -0.067 0.000 2.201 244 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 244 L C 2.408 179.227 176.870 -0.085 0.000 1.105 244 L CA 1.413 56.214 54.840 -0.064 0.000 0.775 244 L CB -0.499 41.557 42.059 -0.006 0.000 0.913 244 L HN 0.319 nan 8.230 nan 0.000 0.440 245 K N -0.779 119.584 120.400 -0.062 0.000 2.305 245 K HA 0.023 4.343 4.320 -0.000 0.000 0.199 245 K C 1.967 178.523 176.600 -0.073 0.000 1.047 245 K CA 0.801 57.060 56.287 -0.046 0.000 0.976 245 K CB 0.176 32.669 32.500 -0.011 0.000 0.765 245 K HN 0.142 nan 8.250 nan 0.000 0.474 246 S N 0.978 116.608 115.700 -0.117 0.000 2.503 246 S HA 0.126 4.596 4.470 -0.000 0.000 0.217 246 S C 0.914 175.327 174.600 -0.312 0.000 0.999 246 S CA -0.137 57.991 58.200 -0.120 0.000 0.914 246 S CB -0.084 63.103 63.200 -0.021 0.000 0.782 246 S HN 0.287 nan 8.310 nan 0.000 0.520 247 I N -0.837 119.434 120.570 -0.497 0.000 2.947 247 I HA 0.644 4.814 4.170 -0.000 0.000 0.314 247 I C -0.966 174.835 176.117 -0.525 0.000 1.028 247 I CA -0.999 59.777 61.300 -0.872 0.000 1.077 247 I CB 1.193 38.689 38.000 -0.841 0.000 1.274 247 I HN -0.250 nan 8.210 nan 0.000 0.485 248 D N 3.168 123.246 120.400 -0.537 0.000 2.477 248 D HA 0.253 4.893 4.640 -0.000 0.000 0.239 248 D C 0.622 176.794 176.300 -0.213 0.000 1.102 248 D CA -0.411 53.460 54.000 -0.215 0.000 0.901 248 D CB 0.941 41.740 40.800 -0.001 0.000 1.026 248 D HN 0.721 nan 8.370 nan 0.000 0.515 249 I N 2.634 123.017 120.570 -0.312 0.000 2.399 249 I HA -0.233 3.937 4.170 -0.000 0.000 0.254 249 I C 1.700 177.719 176.117 -0.164 0.000 1.146 249 I CA 1.293 62.431 61.300 -0.269 0.000 1.412 249 I CB 0.297 38.105 38.000 -0.320 0.000 1.076 249 I HN 0.431 nan 8.210 nan 0.000 0.432 250 E N 0.367 120.464 120.200 -0.171 0.000 2.150 250 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 250 E C 1.431 178.159 176.600 0.213 0.000 0.985 250 E CA 1.017 57.462 56.400 0.074 0.000 0.814 250 E CB -0.060 29.685 29.700 0.075 0.000 0.752 250 E HN 0.580 nan 8.360 nan 0.000 0.466 251 A N 0.905 123.793 122.820 0.113 0.000 2.713 251 A HA 0.188 4.507 4.320 -0.000 0.000 0.296 251 A C -0.122 177.510 177.584 0.080 0.000 1.255 251 A CA -0.232 51.870 52.037 0.107 0.000 0.955 251 A CB 0.414 19.470 19.000 0.093 0.000 1.149 251 A HN -0.066 nan 8.150 nan 0.000 0.538 252 T N 0.601 115.185 114.554 0.051 0.000 2.807 252 T HA 0.521 4.871 4.350 -0.000 0.000 0.279 252 T C -0.935 173.652 174.700 -0.188 0.000 0.993 252 T CA -0.314 61.684 62.100 -0.169 0.000 0.970 252 T CB 1.536 70.106 68.868 -0.496 0.000 0.950 252 T HN 0.259 nan 8.240 nan 0.000 0.441 253 L N 3.911 124.951 121.223 -0.305 0.000 2.296 253 L HA 0.682 5.022 4.340 -0.000 0.000 0.286 253 L C -1.614 174.987 176.870 -0.449 0.000 1.023 253 L CA -0.581 54.118 54.840 -0.235 0.000 0.812 253 L CB 0.199 42.169 42.059 -0.148 0.000 1.223 253 L HN 0.501 nan 8.230 nan 0.000 0.421 254 F N 5.878 125.636 119.950 -0.321 0.000 2.415 254 F HA 0.527 5.054 4.527 -0.000 0.000 0.348 254 F C 0.149 175.801 175.800 -0.247 0.000 1.119 254 F CA -0.378 57.370 58.000 -0.419 0.000 1.069 254 F CB 1.200 39.641 39.000 -0.932 0.000 1.124 254 F HN 0.264 nan 8.300 nan 0.000 0.472 255 I N 4.530 125.116 120.570 0.028 0.000 2.354 255 I HA 0.280 4.450 4.170 -0.000 0.000 0.286 255 I C -0.890 175.275 176.117 0.079 0.000 1.007 255 I CA -0.850 60.465 61.300 0.025 0.000 1.167 255 I CB 1.366 39.324 38.000 -0.070 0.000 1.320 255 I HN 0.188 nan 8.210 nan 0.000 0.458 256 V N 6.158 126.163 119.914 0.152 0.000 2.353 256 V HA 0.427 4.547 4.120 -0.000 0.000 0.264 256 V C 0.643 176.827 176.094 0.150 0.000 1.049 256 V CA -0.447 61.920 62.300 0.113 0.000 0.896 256 V CB 0.868 32.739 31.823 0.080 0.000 1.025 256 V HN 0.801 nan 8.190 nan 0.000 0.475 257 A N 4.115 126.975 122.820 0.068 0.000 2.249 257 A HA 0.792 5.112 4.320 -0.000 0.000 0.314 257 A C 0.076 177.710 177.584 0.084 0.000 1.290 257 A CA -0.308 51.784 52.037 0.092 0.000 0.893 257 A CB 1.020 20.040 19.000 0.032 0.000 1.165 257 A HN 0.822 nan 8.150 nan 0.000 0.530 258 S N 1.903 117.728 115.700 0.207 0.000 2.590 258 S HA 0.245 4.715 4.470 -0.000 0.000 0.286 258 S C 0.502 175.280 174.600 0.297 0.000 1.147 258 S CA -0.481 57.821 58.200 0.170 0.000 0.963 258 S CB 1.082 64.254 63.200 -0.046 0.000 1.124 258 S HN 0.796 nan 8.310 nan 0.000 0.458 259 K N 1.992 122.561 120.400 0.283 0.000 2.026 259 K HA -0.108 4.212 4.320 -0.000 0.000 0.208 259 K C 1.860 178.439 176.600 -0.036 0.000 1.048 259 K CA 2.442 58.805 56.287 0.127 0.000 0.929 259 K CB -0.374 32.240 32.500 0.190 0.000 0.713 259 K HN 0.785 nan 8.250 nan 0.000 0.439 260 T N -2.803 111.774 114.554 0.037 0.000 3.035 260 T HA -0.041 4.308 4.350 -0.000 0.000 0.259 260 T C 0.883 175.661 174.700 0.129 0.000 1.078 260 T CA 0.476 62.595 62.100 0.033 0.000 1.132 260 T CB -0.239 68.640 68.868 0.019 0.000 0.900 260 T HN 0.323 nan 8.240 nan 0.000 0.480 261 F N 2.122 122.035 119.950 -0.061 0.000 3.057 261 F HA -0.277 4.250 4.527 -0.000 0.000 0.287 261 F C 1.070 176.837 175.800 -0.055 0.000 0.834 261 F CA 1.086 59.041 58.000 -0.074 0.000 1.147 261 F CB -1.743 37.203 39.000 -0.090 0.000 1.245 261 F HN 0.534 nan 8.300 nan 0.000 0.509 262 T N -5.001 109.546 114.554 -0.011 0.000 3.087 262 T HA 0.207 4.557 4.350 -0.000 0.000 0.283 262 T C 0.592 175.263 174.700 -0.048 0.000 0.956 262 T CA 0.556 62.646 62.100 -0.016 0.000 0.894 262 T CB 0.094 68.978 68.868 0.026 0.000 1.160 262 T HN 0.110 nan 8.240 nan 0.000 0.532 263 T N 3.178 117.687 114.554 -0.075 0.000 2.829 263 T HA 0.079 4.429 4.350 -0.000 0.000 0.293 263 T C 1.267 175.923 174.700 -0.074 0.000 0.970 263 T CA 0.064 62.127 62.100 -0.063 0.000 1.168 263 T CB 1.310 70.141 68.868 -0.063 0.000 0.911 263 T HN 0.402 nan 8.240 nan 0.000 0.535 264 Q N 2.584 122.359 119.800 -0.042 0.000 2.077 264 Q HA -0.237 4.103 4.340 -0.000 0.000 0.206 264 Q C 1.794 177.772 176.000 -0.037 0.000 0.989 264 Q CA 2.014 57.798 55.803 -0.033 0.000 0.853 264 Q CB 0.052 28.781 28.738 -0.015 0.000 0.907 264 Q HN 0.731 nan 8.270 nan 0.000 0.418 265 E N -0.667 119.514 120.200 -0.032 0.000 2.058 265 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 265 E C 2.020 178.597 176.600 -0.038 0.000 0.997 265 E CA 1.991 58.378 56.400 -0.020 0.000 0.801 265 E CB -0.204 29.492 29.700 -0.007 0.000 0.746 265 E HN 0.340 nan 8.360 nan 0.000 0.450 266 T N 0.960 115.467 114.554 -0.079 0.000 2.777 266 T HA -0.078 4.272 4.350 -0.000 0.000 0.266 266 T C 1.724 176.305 174.700 -0.198 0.000 1.040 266 T CA 0.774 62.793 62.100 -0.135 0.000 1.141 266 T CB -0.068 68.692 68.868 -0.179 0.000 0.868 266 T HN 0.032 nan 8.240 nan 0.000 0.444 267 I N 1.761 122.205 120.570 -0.210 0.000 2.315 267 I HA -0.097 4.073 4.170 -0.000 0.000 0.248 267 I C 2.591 178.677 176.117 -0.050 0.000 1.117 267 I CA 1.368 62.551 61.300 -0.195 0.000 1.404 267 I CB -1.737 36.172 38.000 -0.151 0.000 1.071 267 I HN 0.254 nan 8.210 nan 0.000 0.419 268 T N 1.412 115.948 114.554 -0.030 0.000 2.746 268 T HA -0.123 4.227 4.350 -0.000 0.000 0.267 268 T C 1.764 176.473 174.700 0.014 0.000 1.039 268 T CA 1.299 63.403 62.100 0.005 0.000 1.142 268 T CB -0.181 68.691 68.868 0.007 0.000 0.866 268 T HN 0.264 nan 8.240 nan 0.000 0.444 269 N N 1.281 119.982 118.700 0.001 0.000 2.142 269 N HA 0.032 4.772 4.740 -0.000 0.000 0.186 269 N C 2.115 177.638 175.510 0.023 0.000 1.023 269 N CA 1.239 54.298 53.050 0.014 0.000 0.852 269 N CB -0.488 38.006 38.487 0.013 0.000 0.998 269 N HN 0.412 nan 8.380 nan 0.000 0.424 270 A N 1.122 123.948 122.820 0.010 0.000 1.930 270 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 270 A C 2.373 180.099 177.584 0.237 0.000 1.175 270 A CA 0.811 52.903 52.037 0.091 0.000 0.627 270 A CB -0.656 18.239 19.000 -0.174 0.000 0.815 270 A HN 0.202 nan 8.150 nan 0.000 0.443 271 L N -0.589 120.750 121.223 0.194 0.000 2.141 271 L HA -0.127 4.213 4.340 -0.000 0.000 0.209 271 L C 2.731 179.610 176.870 0.016 0.000 1.094 271 L CA 1.334 56.242 54.840 0.113 0.000 0.763 271 L CB -0.277 41.832 42.059 0.083 0.000 0.908 271 L HN 0.312 nan 8.230 nan 0.000 0.437 272 S N -0.392 115.320 115.700 0.020 0.000 2.406 272 S HA -0.048 4.422 4.470 -0.000 0.000 0.228 272 S C 2.124 176.702 174.600 -0.036 0.000 1.020 272 S CA 0.971 59.168 58.200 -0.004 0.000 0.965 272 S CB -0.041 63.166 63.200 0.011 0.000 0.798 272 S HN 0.478 nan 8.310 nan 0.000 0.488 273 A N 1.535 124.317 122.820 -0.063 0.000 1.929 273 A HA 0.014 4.333 4.320 -0.000 0.000 0.216 273 A C 2.069 179.555 177.584 -0.164 0.000 1.176 273 A CA 0.954 52.836 52.037 -0.258 0.000 0.628 273 A CB -0.361 18.350 19.000 -0.482 0.000 0.816 273 A HN 0.352 nan 8.150 nan 0.000 0.444 274 R N -0.732 119.749 120.500 -0.032 0.000 2.075 274 R HA -0.059 4.281 4.340 -0.000 0.000 0.232 274 R C 2.470 178.704 176.300 -0.111 0.000 1.126 274 R CA 1.301 57.304 56.100 -0.160 0.000 0.963 274 R CB -0.220 29.813 30.300 -0.445 0.000 0.858 274 R HN 0.539 nan 8.270 nan 0.000 0.435 275 R N 0.015 120.463 120.500 -0.087 0.000 2.096 275 R HA -0.090 4.249 4.340 -0.000 0.000 0.235 275 R C 1.993 178.282 176.300 -0.018 0.000 1.127 275 R CA 1.404 57.471 56.100 -0.055 0.000 0.968 275 R CB -0.166 30.110 30.300 -0.039 0.000 0.861 275 R HN 0.220 nan 8.270 nan 0.000 0.440 276 A N 1.100 123.911 122.820 -0.016 0.000 1.902 276 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 276 A C 2.011 179.633 177.584 0.062 0.000 1.181 276 A CA 1.141 53.191 52.037 0.021 0.000 0.623 276 A CB -0.534 18.470 19.000 0.007 0.000 0.818 276 A HN 0.376 nan 8.150 nan 0.000 0.443 277 L N -0.054 121.195 121.223 0.044 0.000 2.017 277 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 277 L C 2.250 179.170 176.870 0.084 0.000 1.073 277 L CA 1.714 56.599 54.840 0.075 0.000 0.745 277 L CB -0.444 41.677 42.059 0.104 0.000 0.894 277 L HN 0.404 nan 8.230 nan 0.000 0.432 278 L N -0.906 120.336 121.223 0.031 0.000 2.141 278 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 278 L C 2.161 179.048 176.870 0.030 0.000 1.094 278 L CA 1.039 55.884 54.840 0.010 0.000 0.763 278 L CB -0.933 41.103 42.059 -0.038 0.000 0.908 278 L HN 0.264 nan 8.230 nan 0.000 0.437 279 D N -0.592 119.835 120.400 0.044 0.000 2.144 279 D HA -0.209 4.431 4.640 -0.000 0.000 0.200 279 D C 1.912 178.254 176.300 0.070 0.000 0.978 279 D CA 1.137 55.164 54.000 0.045 0.000 0.833 279 D CB -0.116 40.713 40.800 0.048 0.000 0.961 279 D HN 0.269 nan 8.370 nan 0.000 0.470 280 Y N 1.320 121.621 120.300 0.002 0.000 2.114 280 Y HA -0.131 4.419 4.550 -0.000 0.000 0.284 280 Y C 2.163 178.075 175.900 0.020 0.000 1.143 280 Y CA 1.372 59.480 58.100 0.012 0.000 1.135 280 Y CB -0.410 38.059 38.460 0.015 0.000 0.980 280 Y HN -0.098 nan 8.280 nan 0.000 0.499 281 L N -0.185 121.070 121.223 0.053 0.000 2.083 281 L HA -0.221 4.119 4.340 -0.000 0.000 0.209 281 L C 2.719 179.556 176.870 -0.056 0.000 1.083 281 L CA 1.652 56.492 54.840 0.000 0.000 0.752 281 L CB -0.576 41.545 42.059 0.104 0.000 0.899 281 L HN 0.144 nan 8.230 nan 0.000 0.433 282 R N 0.177 120.655 120.500 -0.037 0.000 2.092 282 R HA -0.148 4.192 4.340 -0.000 0.000 0.231 282 R C 2.602 178.862 176.300 -0.067 0.000 1.119 282 R CA 1.548 57.625 56.100 -0.038 0.000 0.970 282 R CB -0.080 30.207 30.300 -0.022 0.000 0.864 282 R HN 0.456 nan 8.270 nan 0.000 0.440 283 S N -0.154 115.484 115.700 -0.104 0.000 2.447 283 S HA -0.069 4.400 4.470 -0.000 0.000 0.233 283 S C 1.573 176.082 174.600 -0.152 0.000 1.006 283 S CA 0.587 58.716 58.200 -0.119 0.000 0.957 283 S CB -0.027 63.097 63.200 -0.126 0.000 0.773 283 S HN 0.350 nan 8.310 nan 0.000 0.507 284 R N 0.417 120.792 120.500 -0.208 0.000 2.393 284 R HA 0.300 4.640 4.340 -0.000 0.000 0.244 284 R C 1.330 177.573 176.300 -0.096 0.000 0.920 284 R CA 0.336 56.327 56.100 -0.181 0.000 1.076 284 R CB 0.058 30.189 30.300 -0.281 0.000 1.119 284 R HN 0.543 nan 8.270 nan 0.000 0.524 285 G N 2.026 110.784 108.800 -0.071 0.000 2.168 285 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.257 285 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.257 285 G C 0.192 175.084 174.900 -0.013 0.000 0.997 285 G CA 0.139 45.218 45.100 -0.035 0.000 0.708 285 G HN 0.272 nan 8.290 nan 0.000 0.520 286 I N 0.755 121.323 120.570 -0.003 0.000 2.428 286 I HA 0.234 4.404 4.170 -0.000 0.000 0.289 286 I C 0.621 176.789 176.117 0.084 0.000 1.019 286 I CA -0.694 60.634 61.300 0.046 0.000 1.351 286 I CB 0.965 39.014 38.000 0.082 0.000 1.412 286 I HN 0.142 nan 8.210 nan 0.000 0.513 287 D N 5.379 125.842 120.400 0.104 0.000 2.450 287 D HA -0.087 4.553 4.640 -0.000 0.000 0.247 287 D C 1.158 177.581 176.300 0.205 0.000 1.162 287 D CA 0.139 54.210 54.000 0.119 0.000 0.879 287 D CB 0.856 41.716 40.800 0.101 0.000 1.163 287 D HN 0.662 nan 8.370 nan 0.000 0.472 288 E N 3.691 123.941 120.200 0.084 0.000 2.435 288 E HA -0.134 4.216 4.350 -0.000 0.000 0.195 288 E C 0.271 176.831 176.600 -0.066 0.000 1.029 288 E CA -0.063 56.326 56.400 -0.019 0.000 0.865 288 E CB 0.025 29.703 29.700 -0.037 0.000 0.833 288 E HN 0.334 nan 8.360 nan 0.000 0.510 289 K N 0.749 121.168 120.400 0.032 0.000 2.430 289 K HA 0.006 4.326 4.320 -0.000 0.000 0.280 289 K C 0.515 177.161 176.600 0.076 0.000 1.063 289 K CA 1.071 57.381 56.287 0.038 0.000 1.071 289 K CB -0.076 32.457 32.500 0.056 0.000 0.899 289 K HN 0.363 nan 8.250 nan 0.000 0.473 290 G N 2.414 111.234 108.800 0.033 0.000 2.176 290 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.253 290 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.253 290 G C 0.760 175.694 174.900 0.056 0.000 0.979 290 G CA 0.706 45.852 45.100 0.077 0.000 0.641 290 G HN 0.754 nan 8.290 nan 0.000 0.530 291 S N -0.563 115.037 115.700 -0.166 0.000 2.387 291 S HA 0.035 4.505 4.470 -0.000 0.000 0.226 291 S C 2.219 176.954 174.600 0.225 0.000 1.026 291 S CA 1.732 59.821 58.200 -0.185 0.000 0.972 291 S CB -0.246 62.646 63.200 -0.514 0.000 0.814 291 S HN 0.800 nan 8.310 nan 0.000 0.477 292 V N 2.462 122.476 119.914 0.166 0.000 2.490 292 V HA -0.045 4.075 4.120 -0.000 0.000 0.250 292 V C 2.997 179.324 176.094 0.389 0.000 1.061 292 V CA 1.523 63.994 62.300 0.286 0.000 1.064 292 V CB -1.397 30.435 31.823 0.015 0.000 0.670 292 V HN 0.673 nan 8.190 nan 0.000 0.461 293 A N -0.313 122.672 122.820 0.276 0.000 2.168 293 A HA -0.095 4.225 4.320 -0.000 0.000 0.215 293 A C 2.184 180.007 177.584 0.398 0.000 1.152 293 A CA 1.202 53.414 52.037 0.291 0.000 0.716 293 A CB -0.206 18.904 19.000 0.183 0.000 0.794 293 A HN 0.610 nan 8.150 nan 0.000 0.465 294 K N -1.830 118.801 120.400 0.385 0.000 2.335 294 K HA 0.151 4.471 4.320 -0.000 0.000 0.195 294 K C 1.041 177.884 176.600 0.405 0.000 1.058 294 K CA 0.506 56.998 56.287 0.342 0.000 0.988 294 K CB 0.116 32.685 32.500 0.115 0.000 0.880 294 K HN 0.522 nan 8.250 nan 0.000 0.513 295 H N -1.027 118.341 119.070 0.497 0.000 2.740 295 H HA 0.215 4.771 4.556 -0.000 0.000 0.265 295 H C -0.468 174.994 175.328 0.223 0.000 0.978 295 H CA 0.204 56.485 56.048 0.388 0.000 1.198 295 H CB 0.629 30.624 29.762 0.388 0.000 1.467 295 H HN -0.043 nan 8.280 nan 0.000 0.511 296 F N 1.429 121.645 119.950 0.444 0.000 2.529 296 F HA 0.359 4.886 4.527 -0.000 0.000 0.320 296 F C 0.077 176.024 175.800 0.246 0.000 1.118 296 F CA -1.157 57.057 58.000 0.356 0.000 0.915 296 F CB 2.020 41.233 39.000 0.354 0.000 1.161 296 F HN -0.258 nan 8.300 nan 0.000 0.445 297 V N 0.116 120.217 119.914 0.312 0.000 3.040 297 V HA 1.021 5.141 4.120 -0.000 0.000 0.312 297 V C -1.054 175.159 176.094 0.198 0.000 1.115 297 V CA -1.118 61.281 62.300 0.164 0.000 0.998 297 V CB 1.486 33.258 31.823 -0.084 0.000 1.042 297 V HN 0.991 nan 8.190 nan 0.000 0.433 298 A N 3.508 126.434 122.820 0.176 0.000 2.386 298 A HA 0.910 5.230 4.320 -0.000 0.000 0.311 298 A C -0.927 176.757 177.584 0.167 0.000 1.068 298 A CA -0.770 51.366 52.037 0.165 0.000 0.743 298 A CB 1.514 20.505 19.000 -0.016 0.000 1.258 298 A HN 1.107 nan 8.150 nan 0.000 0.429 299 L N 2.078 123.413 121.223 0.186 0.000 2.324 299 L HA 0.693 5.033 4.340 -0.000 0.000 0.274 299 L C 0.107 177.190 176.870 0.354 0.000 1.012 299 L CA -0.194 54.773 54.840 0.212 0.000 0.859 299 L CB 1.045 43.150 42.059 0.077 0.000 1.224 299 L HN 0.667 nan 8.230 nan 0.000 0.429 300 S N 0.052 115.883 115.700 0.218 0.000 2.672 300 S HA 0.514 4.984 4.470 -0.000 0.000 0.271 300 S C 0.477 174.762 174.600 -0.526 0.000 1.171 300 S CA 0.296 58.471 58.200 -0.042 0.000 0.817 300 S CB 1.893 65.020 63.200 -0.121 0.000 1.150 300 S HN 0.689 nan 8.310 nan 0.000 0.478 301 T N -0.859 113.304 114.554 -0.652 0.000 2.969 301 T HA 0.302 4.652 4.350 -0.000 0.000 0.250 301 T C 0.314 174.794 174.700 -0.368 0.000 1.021 301 T CA 0.029 61.736 62.100 -0.654 0.000 1.003 301 T CB -0.295 68.162 68.868 -0.685 0.000 1.040 301 T HN 0.337 nan 8.240 nan 0.000 0.492 302 N N 2.233 120.767 118.700 -0.278 0.000 2.555 302 N HA 0.272 5.012 4.740 -0.000 0.000 0.244 302 N C 0.070 175.440 175.510 -0.233 0.000 1.114 302 N CA -0.067 52.871 53.050 -0.186 0.000 0.963 302 N CB 0.384 38.823 38.487 -0.080 0.000 1.276 302 N HN 0.319 nan 8.380 nan 0.000 0.510 303 N N 1.496 120.076 118.700 -0.200 0.000 2.166 303 N HA -0.194 4.546 4.740 -0.000 0.000 0.186 303 N C 1.418 176.839 175.510 -0.150 0.000 1.019 303 N CA 1.021 53.959 53.050 -0.188 0.000 0.856 303 N CB 0.082 38.486 38.487 -0.139 0.000 0.993 303 N HN 0.489 nan 8.380 nan 0.000 0.426 304 Q N 1.137 120.876 119.800 -0.101 0.000 2.046 304 Q HA -0.000 4.340 4.340 -0.000 0.000 0.200 304 Q C 1.262 177.239 176.000 -0.038 0.000 0.975 304 Q CA 1.486 57.256 55.803 -0.056 0.000 0.836 304 Q CB 0.078 28.799 28.738 -0.028 0.000 0.896 304 Q HN 0.078 nan 8.270 nan 0.000 0.428 305 K N -0.486 119.894 120.400 -0.034 0.000 2.217 305 K HA 0.006 4.326 4.320 -0.000 0.000 0.202 305 K C 1.991 178.598 176.600 0.011 0.000 1.051 305 K CA 0.822 57.147 56.287 0.064 0.000 0.952 305 K CB -0.213 32.393 32.500 0.177 0.000 0.736 305 K HN 0.150 nan 8.250 nan 0.000 0.453 306 V N 1.495 121.209 119.914 -0.334 0.000 2.453 306 V HA -0.177 3.942 4.120 -0.000 0.000 0.247 306 V C 2.519 178.548 176.094 -0.108 0.000 1.048 306 V CA 1.506 63.484 62.300 -0.536 0.000 1.049 306 V CB -0.318 31.094 31.823 -0.684 0.000 0.672 306 V HN 0.320 nan 8.190 nan 0.000 0.457 307 K N 0.262 120.614 120.400 -0.079 0.000 2.057 307 K HA -0.185 4.135 4.320 -0.000 0.000 0.206 307 K C 2.048 178.664 176.600 0.026 0.000 1.050 307 K CA 1.650 57.923 56.287 -0.022 0.000 0.935 307 K CB -0.094 32.383 32.500 -0.037 0.000 0.715 307 K HN 0.528 nan 8.250 nan 0.000 0.439 308 E N -0.489 119.742 120.200 0.052 0.000 2.268 308 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 308 E C 1.637 178.302 176.600 0.109 0.000 0.995 308 E CA 0.757 57.199 56.400 0.070 0.000 0.836 308 E CB -0.075 29.673 29.700 0.080 0.000 0.763 308 E HN 0.313 nan 8.360 nan 0.000 0.491 309 F N 0.089 120.062 119.950 0.039 0.000 2.367 309 F HA 0.068 4.595 4.527 -0.000 0.000 0.298 309 F C 1.498 177.286 175.800 -0.019 0.000 1.094 309 F CA 1.532 59.567 58.000 0.058 0.000 1.409 309 F CB 0.535 39.678 39.000 0.238 0.000 1.064 309 F HN 0.058 nan 8.300 nan 0.000 0.528 310 G N 0.727 109.538 108.800 0.019 0.000 2.183 310 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.168 310 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.168 310 G C 0.082 174.998 174.900 0.028 0.000 1.008 310 G CA -0.068 44.987 45.100 -0.075 0.000 0.677 310 G HN 0.273 nan 8.290 nan 0.000 0.498 311 I N 1.849 122.509 120.570 0.150 0.000 2.396 311 I HA 0.320 4.490 4.170 -0.000 0.000 0.292 311 I C -0.035 176.121 176.117 0.066 0.000 0.999 311 I CA -0.759 60.635 61.300 0.157 0.000 1.310 311 I CB 0.900 39.035 38.000 0.225 0.000 1.404 311 I HN -0.040 nan 8.210 nan 0.000 0.496 312 D N 5.225 125.667 120.400 0.069 0.000 2.382 312 D HA -0.004 4.636 4.640 -0.000 0.000 0.240 312 D C 1.197 177.485 176.300 -0.020 0.000 1.146 312 D CA -0.115 53.902 54.000 0.029 0.000 0.897 312 D CB 0.687 41.521 40.800 0.056 0.000 1.197 312 D HN 0.441 nan 8.370 nan 0.000 0.432 313 E N 1.435 121.609 120.200 -0.044 0.000 2.268 313 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 313 E C 0.943 177.470 176.600 -0.121 0.000 0.995 313 E CA 0.833 57.181 56.400 -0.086 0.000 0.836 313 E CB -0.106 29.551 29.700 -0.072 0.000 0.763 313 E HN 0.608 nan 8.360 nan 0.000 0.491 314 E N 0.543 120.690 120.200 -0.090 0.000 2.285 314 E HA -0.033 4.317 4.350 -0.000 0.000 0.194 314 E C 0.741 177.213 176.600 -0.212 0.000 0.997 314 E CA 0.289 56.618 56.400 -0.118 0.000 0.845 314 E CB 0.061 29.745 29.700 -0.026 0.000 0.782 314 E HN 0.158 nan 8.360 nan 0.000 0.491 315 N N 0.004 118.617 118.700 -0.145 0.000 2.314 315 N HA 0.083 4.823 4.740 -0.000 0.000 0.200 315 N C -0.250 175.145 175.510 -0.192 0.000 1.135 315 N CA 0.192 53.147 53.050 -0.159 0.000 0.835 315 N CB 0.391 38.908 38.487 0.049 0.000 0.989 315 N HN 0.106 nan 8.380 nan 0.000 0.478 316 M N 0.610 120.032 119.600 -0.296 0.000 2.238 316 M HA 0.349 4.829 4.480 -0.000 0.000 0.350 316 M C -1.346 174.712 176.300 -0.403 0.000 1.138 316 M CA -0.598 54.570 55.300 -0.221 0.000 1.040 316 M CB 0.650 33.129 32.600 -0.202 0.000 1.639 316 M HN -0.157 nan 8.290 nan 0.000 0.451 317 F N 3.269 123.119 119.950 -0.167 0.000 2.332 317 F HA 0.363 4.890 4.527 -0.000 0.000 0.368 317 F C 0.182 175.902 175.800 -0.135 0.000 1.110 317 F CA -0.636 57.279 58.000 -0.142 0.000 1.087 317 F CB 1.131 40.047 39.000 -0.141 0.000 1.235 317 F HN 0.514 nan 8.300 nan 0.000 0.470 318 Q N 3.942 123.672 119.800 -0.118 0.000 2.327 318 Q HA 0.559 4.899 4.340 -0.000 0.000 0.254 318 Q C -1.048 174.583 176.000 -0.615 0.000 0.952 318 Q CA -0.111 55.475 55.803 -0.361 0.000 0.884 318 Q CB 0.804 29.295 28.738 -0.411 0.000 1.224 318 Q HN 0.519 nan 8.270 nan 0.000 0.422 319 F N 0.718 120.010 119.950 -1.098 0.000 2.662 319 F HA 0.750 5.277 4.527 -0.000 0.000 0.312 319 F C -1.660 173.392 175.800 -1.247 0.000 1.113 319 F CA -1.246 55.922 58.000 -1.387 0.000 0.951 319 F CB 0.989 39.684 39.000 -0.509 0.000 1.344 319 F HN 0.419 nan 8.300 nan 0.000 0.462 320 W N 1.394 122.368 121.300 -0.543 0.000 2.703 320 W HA 0.212 4.872 4.660 -0.000 0.000 0.359 320 W C 0.510 176.647 176.519 -0.636 0.000 1.168 320 W CA -0.087 56.796 57.345 -0.770 0.000 1.177 320 W CB 1.004 29.714 29.460 -1.250 0.000 1.434 320 W HN 0.747 nan 8.180 nan 0.000 0.618 321 D N -0.378 119.883 120.400 -0.231 0.000 2.264 321 D HA -0.191 4.449 4.640 -0.000 0.000 0.208 321 D C 1.497 177.861 176.300 0.107 0.000 0.966 321 D CA 1.199 55.168 54.000 -0.051 0.000 0.864 321 D CB -0.705 40.115 40.800 0.032 0.000 0.933 321 D HN 0.563 nan 8.370 nan 0.000 0.499 322 W N 0.873 122.288 121.300 0.192 0.000 3.180 322 W HA 0.331 4.991 4.660 -0.000 0.000 0.254 322 W C -0.525 176.112 176.519 0.195 0.000 1.318 322 W CA -0.600 56.828 57.345 0.138 0.000 1.608 322 W CB -0.415 29.083 29.460 0.064 0.000 1.124 322 W HN -0.266 nan 8.180 nan 0.000 0.694 323 V N 2.517 122.639 119.914 0.348 0.000 2.311 323 V HA 0.466 4.586 4.120 -0.000 0.000 0.275 323 V C 0.954 177.287 176.094 0.399 0.000 1.022 323 V CA -0.686 61.876 62.300 0.436 0.000 0.830 323 V CB 0.355 32.453 31.823 0.458 0.000 1.012 323 V HN 0.119 nan 8.190 nan 0.000 0.452 324 G N 3.128 112.181 108.800 0.423 0.000 2.491 324 G HA2 0.395 4.355 3.960 -0.000 0.000 0.242 324 G HA3 0.395 4.355 3.960 -0.000 0.000 0.242 324 G C 1.116 176.226 174.900 0.350 0.000 1.266 324 G CA 0.198 45.547 45.100 0.415 0.000 0.844 324 G HN 0.869 nan 8.290 nan 0.000 0.571 325 G N 1.413 110.347 108.800 0.224 0.000 2.440 325 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 325 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 325 G C 1.645 176.553 174.900 0.013 0.000 1.154 325 G CA 0.862 46.034 45.100 0.119 0.000 0.767 325 G HN 0.771 nan 8.290 nan 0.000 0.552 326 R N -0.884 119.568 120.500 -0.080 0.000 2.328 326 R HA 0.142 4.482 4.340 -0.000 0.000 0.200 326 R C 0.324 176.333 176.300 -0.486 0.000 0.983 326 R CA 0.523 56.408 56.100 -0.358 0.000 1.062 326 R CB -0.261 29.738 30.300 -0.503 0.000 0.956 326 R HN 0.456 nan 8.270 nan 0.000 0.479 327 Y N 0.245 120.568 120.300 0.039 0.000 2.738 327 Y HA 0.180 4.730 4.550 -0.000 0.000 0.249 327 Y C 1.280 177.328 175.900 0.246 0.000 1.153 327 Y CA -0.379 57.787 58.100 0.110 0.000 1.165 327 Y CB 1.166 39.573 38.460 -0.089 0.000 1.235 327 Y HN 0.175 nan 8.280 nan 0.000 0.559 328 S N -0.913 114.902 115.700 0.191 0.000 2.556 328 S HA -0.047 4.423 4.470 -0.000 0.000 0.216 328 S C 1.690 176.237 174.600 -0.089 0.000 0.970 328 S CA 0.089 58.329 58.200 0.067 0.000 0.912 328 S CB -0.515 62.621 63.200 -0.107 0.000 0.790 328 S HN 0.557 nan 8.310 nan 0.000 0.504 329 M N -0.979 118.473 119.600 -0.248 0.000 2.446 329 M HA 0.131 4.611 4.480 -0.000 0.000 0.263 329 M C 1.199 177.312 176.300 -0.312 0.000 1.066 329 M CA 1.120 56.184 55.300 -0.394 0.000 1.087 329 M CB -1.068 31.160 32.600 -0.620 0.000 1.406 329 M HN 0.396 nan 8.290 nan 0.000 0.459 330 W N 1.706 123.081 121.300 0.125 0.000 2.770 330 W HA 0.163 4.823 4.660 -0.000 0.000 0.256 330 W C 1.866 178.559 176.519 0.290 0.000 1.291 330 W CA 0.313 57.759 57.345 0.168 0.000 1.396 330 W CB -0.569 28.972 29.460 0.134 0.000 1.114 330 W HN 0.377 nan 8.180 nan 0.000 0.637 331 S N 0.634 116.535 115.700 0.335 0.000 2.495 331 S HA 0.585 5.055 4.470 -0.000 0.000 0.273 331 S C 1.689 176.324 174.600 0.059 0.000 1.156 331 S CA -0.011 58.318 58.200 0.215 0.000 1.032 331 S CB 0.191 63.413 63.200 0.037 0.000 1.160 331 S HN 0.039 nan 8.310 nan 0.000 0.489 332 A N 0.149 122.935 122.820 -0.057 0.000 2.024 332 A HA 0.018 4.338 4.320 -0.000 0.000 0.220 332 A C 2.073 179.521 177.584 -0.227 0.000 1.164 332 A CA 1.111 53.095 52.037 -0.089 0.000 0.643 332 A CB -1.091 17.933 19.000 0.040 0.000 0.806 332 A HN 0.704 nan 8.150 nan 0.000 0.451 333 I N -0.030 120.321 120.570 -0.364 0.000 2.454 333 I HA -0.185 3.985 4.170 -0.000 0.000 0.254 333 I C 2.280 178.292 176.117 -0.174 0.000 1.156 333 I CA 1.453 62.566 61.300 -0.312 0.000 1.433 333 I CB -1.519 36.231 38.000 -0.417 0.000 1.082 333 I HN 0.382 nan 8.210 nan 0.000 0.432 334 G N 0.240 108.972 108.800 -0.113 0.000 3.124 334 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.212 334 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.212 334 G C 1.555 176.317 174.900 -0.230 0.000 1.181 334 G CA -0.169 44.920 45.100 -0.019 0.000 0.803 334 G HN 0.260 nan 8.290 nan 0.000 0.529 335 L N 1.894 122.939 121.223 -0.296 0.000 2.012 335 L HA 0.009 4.349 4.340 -0.000 0.000 0.210 335 L C 0.213 176.936 176.870 -0.245 0.000 1.073 335 L CA 2.034 56.653 54.840 -0.368 0.000 0.748 335 L CB -0.651 41.101 42.059 -0.513 0.000 0.891 335 L HN 0.075 nan 8.230 nan 0.000 0.431 336 P HA -0.147 nan 4.420 nan 0.000 0.222 336 P C 1.969 179.251 177.300 -0.031 0.000 1.147 336 P CA 1.587 64.633 63.100 -0.091 0.000 0.790 336 P CB -0.037 31.645 31.700 -0.030 0.000 0.780 337 I N -0.914 119.655 120.570 -0.002 0.000 2.233 337 I HA -0.166 4.004 4.170 -0.000 0.000 0.243 337 I C 2.852 179.006 176.117 0.061 0.000 1.093 337 I CA 1.302 62.647 61.300 0.075 0.000 1.380 337 I CB -0.590 37.525 38.000 0.190 0.000 1.067 337 I HN -0.125 nan 8.210 nan 0.000 0.413 338 M N 0.782 120.324 119.600 -0.096 0.000 2.175 338 M HA -0.165 4.315 4.480 -0.000 0.000 0.264 338 M C 2.310 178.560 176.300 -0.083 0.000 1.063 338 M CA 1.841 57.055 55.300 -0.145 0.000 1.119 338 M CB 0.014 32.336 32.600 -0.463 0.000 1.377 338 M HN 0.153 nan 8.290 nan 0.000 0.415 339 I N -0.928 119.570 120.570 -0.119 0.000 2.315 339 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 339 I C 2.572 178.640 176.117 -0.080 0.000 1.117 339 I CA 1.178 62.402 61.300 -0.126 0.000 1.404 339 I CB -0.371 37.527 38.000 -0.170 0.000 1.071 339 I HN 0.351 nan 8.210 nan 0.000 0.419 340 S N 1.202 116.875 115.700 -0.045 0.000 2.348 340 S HA -0.076 4.393 4.470 -0.000 0.000 0.219 340 S C 1.916 176.523 174.600 0.012 0.000 1.033 340 S CA 1.260 59.449 58.200 -0.018 0.000 0.974 340 S CB -0.116 63.090 63.200 0.011 0.000 0.868 340 S HN 0.522 nan 8.310 nan 0.000 0.459 341 I N -1.855 118.741 120.570 0.044 0.000 3.783 341 I HA 0.486 4.655 4.170 -0.000 0.000 0.310 341 I C 0.865 177.027 176.117 0.076 0.000 1.274 341 I CA 0.259 61.603 61.300 0.073 0.000 1.294 341 I CB -0.301 37.752 38.000 0.090 0.000 1.051 341 I HN 0.406 nan 8.210 nan 0.000 0.435 342 G N 1.087 109.927 108.800 0.067 0.000 2.699 342 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.686 342 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.686 342 G C -0.207 174.781 174.900 0.147 0.000 1.301 342 G CA 0.039 45.193 45.100 0.089 0.000 0.816 342 G HN 0.328 nan 8.290 nan 0.000 0.595 343 Y N 0.728 121.057 120.300 0.047 0.000 2.097 343 Y HA -0.125 4.425 4.550 -0.000 0.000 0.282 343 Y C 2.778 178.755 175.900 0.128 0.000 1.152 343 Y CA 2.850 61.001 58.100 0.085 0.000 1.136 343 Y CB 0.004 38.497 38.460 0.055 0.000 0.975 343 Y HN 0.613 nan 8.280 nan 0.000 0.498 344 E N 0.184 120.384 120.200 -0.000 0.000 2.118 344 E HA -0.203 4.146 4.350 -0.000 0.000 0.195 344 E C 1.839 178.374 176.600 -0.108 0.000 0.992 344 E CA 1.204 57.541 56.400 -0.105 0.000 0.804 344 E CB -0.452 29.263 29.700 0.025 0.000 0.741 344 E HN 0.552 nan 8.360 nan 0.000 0.458 345 N N 0.039 118.715 118.700 -0.040 0.000 2.270 345 N HA -0.087 4.653 4.740 -0.000 0.000 0.181 345 N C 1.552 177.020 175.510 -0.070 0.000 1.016 345 N CA 0.355 53.359 53.050 -0.078 0.000 0.870 345 N CB -0.339 38.120 38.487 -0.047 0.000 0.979 345 N HN 0.122 nan 8.380 nan 0.000 0.431 346 F N 1.109 120.970 119.950 -0.147 0.000 2.259 346 F HA -0.041 4.485 4.527 -0.000 0.000 0.298 346 F C 2.051 177.766 175.800 -0.141 0.000 1.088 346 F CA 0.622 58.551 58.000 -0.118 0.000 1.358 346 F CB -0.012 38.944 39.000 -0.073 0.000 1.040 346 F HN -0.230 nan 8.300 nan 0.000 0.505 347 V N 0.116 119.940 119.914 -0.149 0.000 2.427 347 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 347 V C 2.350 178.346 176.094 -0.164 0.000 1.051 347 V CA 1.823 63.997 62.300 -0.209 0.000 1.048 347 V CB -0.499 31.110 31.823 -0.356 0.000 0.666 347 V HN 0.255 nan 8.190 nan 0.000 0.456 348 E N -0.174 119.928 120.200 -0.164 0.000 2.106 348 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 348 E C 2.112 178.626 176.600 -0.143 0.000 0.984 348 E CA 1.088 57.403 56.400 -0.142 0.000 0.806 348 E CB -0.288 29.313 29.700 -0.165 0.000 0.750 348 E HN 0.486 nan 8.360 nan 0.000 0.458 349 L N 0.750 121.852 121.223 -0.202 0.000 2.046 349 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 349 L C 2.209 179.056 176.870 -0.039 0.000 1.077 349 L CA 1.413 56.149 54.840 -0.173 0.000 0.747 349 L CB -0.460 41.385 42.059 -0.358 0.000 0.896 349 L HN 0.055 nan 8.230 nan 0.000 0.432 350 L N -1.199 119.941 121.223 -0.138 0.000 2.093 350 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 350 L C 2.299 179.140 176.870 -0.049 0.000 1.085 350 L CA 1.584 56.392 54.840 -0.055 0.000 0.755 350 L CB -1.022 41.002 42.059 -0.060 0.000 0.904 350 L HN 0.269 nan 8.230 nan 0.000 0.435 351 T N -0.440 114.091 114.554 -0.038 0.000 2.821 351 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 351 T C 1.863 176.587 174.700 0.040 0.000 1.046 351 T CA 1.218 63.330 62.100 0.019 0.000 1.139 351 T CB -0.469 68.398 68.868 -0.001 0.000 0.871 351 T HN 0.544 nan 8.240 nan 0.000 0.454 352 G N 1.081 109.883 108.800 0.003 0.000 2.408 352 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.217 352 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.217 352 G C 1.790 176.693 174.900 0.006 0.000 1.150 352 G CA 0.796 45.902 45.100 0.011 0.000 0.776 352 G HN 0.575 nan 8.290 nan 0.000 0.542 353 A N 0.267 123.055 122.820 -0.054 0.000 1.898 353 A HA -0.029 4.291 4.320 -0.000 0.000 0.216 353 A C 2.096 179.634 177.584 -0.077 0.000 1.181 353 A CA 1.960 53.880 52.037 -0.196 0.000 0.620 353 A CB -0.697 17.872 19.000 -0.719 0.000 0.819 353 A HN 0.476 nan 8.150 nan 0.000 0.442 354 H N -0.106 118.891 119.070 -0.122 0.000 2.353 354 H HA -0.074 4.482 4.556 -0.000 0.000 0.300 354 H C 1.832 177.181 175.328 0.035 0.000 1.090 354 H CA 1.935 57.955 56.048 -0.048 0.000 1.327 354 H CB -0.267 29.465 29.762 -0.049 0.000 1.383 354 H HN 0.121 nan 8.280 nan 0.000 0.508 355 V N 0.576 120.476 119.914 -0.024 0.000 2.343 355 V HA -0.225 3.894 4.120 -0.000 0.000 0.247 355 V C 2.369 178.484 176.094 0.034 0.000 1.051 355 V CA 1.565 63.846 62.300 -0.032 0.000 1.036 355 V CB -0.427 31.410 31.823 0.023 0.000 0.654 355 V HN 0.448 nan 8.190 nan 0.000 0.451 356 I N -0.007 120.610 120.570 0.078 0.000 2.546 356 I HA -0.109 4.061 4.170 -0.000 0.000 0.255 356 I C 2.165 178.469 176.117 0.311 0.000 1.163 356 I CA 1.210 62.619 61.300 0.182 0.000 1.457 356 I CB -1.154 36.929 38.000 0.139 0.000 1.092 356 I HN 0.343 nan 8.210 nan 0.000 0.434 357 D N 0.925 121.480 120.400 0.259 0.000 2.117 357 D HA -0.156 4.484 4.640 -0.000 0.000 0.198 357 D C 2.042 178.518 176.300 0.292 0.000 0.982 357 D CA 1.006 55.253 54.000 0.411 0.000 0.828 357 D CB 0.010 40.980 40.800 0.283 0.000 0.967 357 D HN 0.283 nan 8.370 nan 0.000 0.464 358 E N -0.041 120.198 120.200 0.064 0.000 2.152 358 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 358 E C 1.976 178.582 176.600 0.009 0.000 0.983 358 E CA 0.624 57.010 56.400 -0.023 0.000 0.818 358 E CB -0.329 29.283 29.700 -0.147 0.000 0.758 358 E HN 0.525 nan 8.360 nan 0.000 0.467 359 H N -0.138 118.940 119.070 0.014 0.000 2.357 359 H HA -0.105 4.451 4.556 -0.000 0.000 0.301 359 H C 1.812 177.167 175.328 0.046 0.000 1.082 359 H CA 1.441 57.507 56.048 0.031 0.000 1.342 359 H CB -0.315 29.490 29.762 0.071 0.000 1.389 359 H HN 0.093 nan 8.280 nan 0.000 0.511 360 F N 0.875 120.749 119.950 -0.128 0.000 2.234 360 F HA 0.077 4.604 4.527 -0.000 0.000 0.299 360 F C 2.221 177.797 175.800 -0.373 0.000 1.087 360 F CA 1.207 59.065 58.000 -0.237 0.000 1.340 360 F CB -0.697 38.195 39.000 -0.180 0.000 1.031 360 F HN 0.282 nan 8.300 nan 0.000 0.500 361 A N -0.644 121.853 122.820 -0.537 0.000 2.195 361 A HA 0.114 4.434 4.320 -0.000 0.000 0.210 361 A C 1.617 178.902 177.584 -0.498 0.000 1.165 361 A CA 0.871 52.453 52.037 -0.759 0.000 0.806 361 A CB -0.288 18.205 19.000 -0.844 0.000 0.847 361 A HN 0.471 nan 8.150 nan 0.000 0.482 362 N N -0.666 117.817 118.700 -0.362 0.000 2.325 362 N HA 0.173 4.912 4.740 -0.000 0.000 0.220 362 N C 0.639 176.002 175.510 -0.244 0.000 1.176 362 N CA 0.608 53.501 53.050 -0.262 0.000 0.861 362 N CB -0.008 38.375 38.487 -0.174 0.000 1.230 362 N HN 0.294 nan 8.380 nan 0.000 0.479 363 A N 3.820 126.456 122.820 -0.306 0.000 2.511 363 A HA 0.270 4.590 4.320 -0.000 0.000 0.242 363 A C -2.025 175.415 177.584 -0.240 0.000 1.069 363 A CA -0.601 51.264 52.037 -0.288 0.000 0.763 363 A CB -0.403 18.276 19.000 -0.536 0.000 1.001 363 A HN 0.020 nan 8.150 nan 0.000 0.498 364 P HA 0.088 nan 4.420 nan 0.000 0.266 364 P C -2.163 175.058 177.300 -0.131 0.000 1.195 364 P CA -1.076 61.945 63.100 -0.131 0.000 0.768 364 P CB 0.099 31.745 31.700 -0.090 0.000 0.838 365 P HA -0.246 nan 4.420 nan 0.000 0.217 365 P C 1.492 178.731 177.300 -0.103 0.000 1.158 365 P CA 1.881 64.912 63.100 -0.116 0.000 0.887 365 P CB -0.150 31.487 31.700 -0.106 0.000 0.792 366 E N -1.019 119.125 120.200 -0.094 0.000 2.418 366 E HA -0.158 4.191 4.350 -0.000 0.000 0.197 366 E C 0.918 177.485 176.600 -0.055 0.000 1.026 366 E CA 1.093 57.438 56.400 -0.090 0.000 0.862 366 E CB -0.528 29.118 29.700 -0.090 0.000 0.799 366 E HN 0.313 nan 8.360 nan 0.000 0.518 367 Q N 0.607 120.385 119.800 -0.038 0.000 2.110 367 Q HA 0.190 4.530 4.340 -0.000 0.000 0.232 367 Q C -0.389 175.648 176.000 0.061 0.000 0.810 367 Q CA -0.140 55.677 55.803 0.024 0.000 1.083 367 Q CB 0.416 29.173 28.738 0.032 0.000 1.193 367 Q HN 0.138 nan 8.270 nan 0.000 0.471 368 N N 1.193 119.888 118.700 -0.007 0.000 2.485 368 N HA 0.104 4.844 4.740 -0.000 0.000 0.243 368 N C 1.030 176.618 175.510 0.130 0.000 0.987 368 N CA 0.073 53.121 53.050 -0.003 0.000 0.940 368 N CB 1.390 39.819 38.487 -0.096 0.000 1.122 368 N HN -0.170 nan 8.380 nan 0.000 0.509 369 V N 6.076 126.209 119.914 0.365 0.000 2.220 369 V HA -0.148 3.972 4.120 -0.000 0.000 0.246 369 V C -0.735 175.400 176.094 0.069 0.000 1.049 369 V CA 1.787 64.183 62.300 0.160 0.000 1.003 369 V CB -1.121 30.777 31.823 0.125 0.000 0.634 369 V HN 0.609 nan 8.190 nan 0.000 0.444 370 P HA -0.152 nan 4.420 nan 0.000 0.218 370 P C 1.849 179.166 177.300 0.028 0.000 1.148 370 P CA 1.312 64.406 63.100 -0.010 0.000 0.822 370 P CB -0.078 31.530 31.700 -0.153 0.000 0.784 371 L N -1.033 120.271 121.223 0.135 0.000 2.072 371 L HA -0.067 4.273 4.340 -0.000 0.000 0.205 371 L C 2.371 179.215 176.870 -0.043 0.000 1.079 371 L CA 1.616 56.515 54.840 0.099 0.000 0.752 371 L CB -1.258 40.856 42.059 0.092 0.000 0.906 371 L HN -0.185 nan 8.230 nan 0.000 0.436 372 L N -1.271 119.874 121.223 -0.130 0.000 2.093 372 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 372 L C 2.439 179.148 176.870 -0.269 0.000 1.085 372 L CA 0.821 55.469 54.840 -0.320 0.000 0.755 372 L CB -0.615 41.086 42.059 -0.596 0.000 0.904 372 L HN 0.319 nan 8.230 nan 0.000 0.435 373 L N -0.025 121.100 121.223 -0.164 0.000 2.083 373 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 373 L C 2.592 179.453 176.870 -0.016 0.000 1.083 373 L CA 1.948 56.745 54.840 -0.072 0.000 0.752 373 L CB -0.644 41.367 42.059 -0.080 0.000 0.899 373 L HN 0.162 nan 8.230 nan 0.000 0.433 374 A N -0.936 121.865 122.820 -0.032 0.000 1.930 374 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 374 A C 2.218 179.800 177.584 -0.002 0.000 1.175 374 A CA 1.631 53.653 52.037 -0.025 0.000 0.627 374 A CB -0.707 18.270 19.000 -0.039 0.000 0.815 374 A HN 0.457 nan 8.150 nan 0.000 0.443 375 L N -0.583 120.634 121.223 -0.010 0.000 2.093 375 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 375 L C 2.443 179.380 176.870 0.111 0.000 1.085 375 L CA 0.733 55.588 54.840 0.025 0.000 0.755 375 L CB -0.502 41.530 42.059 -0.046 0.000 0.904 375 L HN 0.226 nan 8.230 nan 0.000 0.435 376 V N 0.284 120.261 119.914 0.105 0.000 2.427 376 V HA -0.184 3.936 4.120 -0.000 0.000 0.248 376 V C 2.606 178.946 176.094 0.410 0.000 1.051 376 V CA 1.968 64.423 62.300 0.259 0.000 1.048 376 V CB -1.063 30.918 31.823 0.263 0.000 0.666 376 V HN 0.557 nan 8.190 nan 0.000 0.456 377 G N -0.399 108.576 108.800 0.292 0.000 2.402 377 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.216 377 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.216 377 G C 1.672 176.794 174.900 0.370 0.000 1.162 377 G CA 1.121 46.403 45.100 0.302 0.000 0.777 377 G HN 0.373 nan 8.290 nan 0.000 0.539 378 V N 0.123 120.230 119.914 0.323 0.000 2.407 378 V HA -0.149 3.971 4.120 -0.000 0.000 0.248 378 V C 2.254 178.670 176.094 0.538 0.000 1.055 378 V CA 1.636 64.194 62.300 0.429 0.000 1.049 378 V CB -0.548 31.464 31.823 0.315 0.000 0.662 378 V HN 0.660 nan 8.190 nan 0.000 0.455 379 W N -0.219 121.225 121.300 0.239 0.000 2.358 379 W HA -0.247 4.413 4.660 -0.000 0.000 0.303 379 W C 2.345 178.987 176.519 0.205 0.000 1.208 379 W CA 1.706 59.146 57.345 0.159 0.000 1.274 379 W CB -0.297 29.104 29.460 -0.099 0.000 1.138 379 W HN 0.320 nan 8.180 nan 0.000 0.515 380 Y N 0.314 120.807 120.300 0.322 0.000 2.286 380 Y HA -0.108 4.442 4.550 -0.000 0.000 0.293 380 Y C 2.461 178.472 175.900 0.184 0.000 1.124 380 Y CA 1.583 59.784 58.100 0.168 0.000 1.178 380 Y CB -0.928 37.613 38.460 0.135 0.000 1.010 380 Y HN -0.158 nan 8.280 nan 0.000 0.536 381 I N -0.057 120.731 120.570 0.363 0.000 2.193 381 I HA -0.292 3.878 4.170 -0.000 0.000 0.240 381 I C 1.373 177.561 176.117 0.118 0.000 1.084 381 I CA 1.760 63.216 61.300 0.261 0.000 1.365 381 I CB -0.323 37.888 38.000 0.352 0.000 1.064 381 I HN 0.186 nan 8.210 nan 0.000 0.410 382 N N -0.609 118.160 118.700 0.115 0.000 2.424 382 N HA 0.023 4.763 4.740 -0.000 0.000 0.178 382 N C 1.205 176.272 175.510 -0.738 0.000 1.060 382 N CA 0.773 53.705 53.050 -0.197 0.000 0.901 382 N CB 0.194 38.665 38.487 -0.027 0.000 0.979 382 N HN 0.192 nan 8.380 nan 0.000 0.451 383 F N -1.550 118.153 119.950 -0.412 0.000 2.557 383 F HA 0.299 4.826 4.527 -0.000 0.000 0.278 383 F C 1.042 176.088 175.800 -1.256 0.000 1.051 383 F CA -0.064 57.360 58.000 -0.959 0.000 1.357 383 F CB 0.037 38.283 39.000 -1.257 0.000 1.104 383 F HN -0.098 nan 8.300 nan 0.000 0.654 384 F N 0.367 119.954 119.950 -0.605 0.000 2.569 384 F HA 0.289 4.816 4.527 -0.000 0.000 0.295 384 F C 1.960 177.684 175.800 -0.128 0.000 1.115 384 F CA 0.907 58.734 58.000 -0.288 0.000 1.450 384 F CB -0.405 38.590 39.000 -0.008 0.000 1.107 384 F HN 0.081 nan 8.300 nan 0.000 0.563 385 G N 0.577 109.391 108.800 0.023 0.000 2.147 385 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.244 385 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.244 385 G C 0.238 175.199 174.900 0.100 0.000 1.005 385 G CA -0.020 45.093 45.100 0.021 0.000 0.713 385 G HN 0.632 nan 8.290 nan 0.000 0.515 386 A N 0.242 123.172 122.820 0.183 0.000 2.376 386 A HA 0.650 4.970 4.320 -0.000 0.000 0.298 386 A C 1.519 179.198 177.584 0.160 0.000 1.271 386 A CA 0.501 52.647 52.037 0.182 0.000 0.926 386 A CB 0.573 19.707 19.000 0.225 0.000 1.141 386 A HN 1.685 nan 8.150 nan 0.000 0.539 387 V N 1.454 121.437 119.914 0.114 0.000 3.649 387 V HA 0.177 4.297 4.120 -0.000 0.000 0.275 387 V C 0.696 176.864 176.094 0.124 0.000 1.281 387 V CA 1.123 63.480 62.300 0.094 0.000 1.143 387 V CB -1.308 30.541 31.823 0.043 0.000 0.892 387 V HN 0.883 nan 8.190 nan 0.000 0.441 388 T N -1.306 113.348 114.554 0.167 0.000 2.924 388 T HA 0.688 5.038 4.350 -0.000 0.000 0.291 388 T C -0.948 173.934 174.700 0.303 0.000 1.045 388 T CA -0.463 61.781 62.100 0.239 0.000 1.015 388 T CB 2.275 71.294 68.868 0.251 0.000 1.103 388 T HN 0.561 nan 8.240 nan 0.000 0.496 389 H N -0.049 119.132 119.070 0.184 0.000 3.083 389 H HA 0.616 5.172 4.556 -0.000 0.000 0.339 389 H C -1.010 174.221 175.328 -0.162 0.000 1.020 389 H CA -0.189 55.892 56.048 0.054 0.000 1.360 389 H CB 1.317 31.128 29.762 0.083 0.000 1.811 389 H HN 1.103 nan 8.280 nan 0.000 0.493 390 A N 5.667 128.067 122.820 -0.700 0.000 2.290 390 A HA 0.529 4.849 4.320 -0.000 0.000 0.310 390 A C -0.739 176.465 177.584 -0.633 0.000 1.202 390 A CA -0.653 50.825 52.037 -0.932 0.000 0.837 390 A CB 0.357 18.790 19.000 -0.946 0.000 1.139 390 A HN 0.590 nan 8.150 nan 0.000 0.509 391 I N 3.868 124.170 120.570 -0.447 0.000 2.330 391 I HA 0.241 4.411 4.170 -0.000 0.000 0.286 391 I C -0.665 175.343 176.117 -0.182 0.000 1.025 391 I CA -0.072 61.093 61.300 -0.226 0.000 1.197 391 I CB 0.747 38.648 38.000 -0.165 0.000 1.358 391 I HN 0.515 nan 8.210 nan 0.000 0.467 392 L N 8.830 129.950 121.223 -0.171 0.000 2.387 392 L HA 0.364 4.704 4.340 -0.000 0.000 0.259 392 L C -2.347 174.581 176.870 0.096 0.000 1.050 392 L CA -1.490 53.281 54.840 -0.114 0.000 0.922 392 L CB 1.307 43.122 42.059 -0.406 0.000 1.280 392 L HN 0.293 nan 8.230 nan 0.000 0.449 393 P HA 0.079 nan 4.420 nan 0.000 0.287 393 P C -1.017 176.427 177.300 0.241 0.000 1.294 393 P CA -0.274 62.962 63.100 0.227 0.000 0.776 393 P CB 0.689 32.483 31.700 0.157 0.000 0.889 394 Y N 2.815 123.204 120.300 0.148 0.000 2.667 394 Y HA 0.311 4.861 4.550 -0.000 0.000 0.340 394 Y C 0.601 176.675 175.900 0.291 0.000 1.303 394 Y CA 0.416 58.586 58.100 0.118 0.000 1.769 394 Y CB -0.127 38.164 38.460 -0.281 0.000 1.804 394 Y HN 0.334 nan 8.280 nan 0.000 0.451 395 D N 0.980 121.638 120.400 0.431 0.000 2.521 395 D HA -0.001 4.639 4.640 -0.000 0.000 0.195 395 D C 0.412 176.826 176.300 0.190 0.000 1.286 395 D CA -0.204 54.000 54.000 0.341 0.000 0.854 395 D CB 1.335 42.305 40.800 0.283 0.000 1.723 395 D HN 0.261 nan 8.370 nan 0.000 0.550 396 Q N 2.473 122.277 119.800 0.008 0.000 2.226 396 Q HA -0.129 4.211 4.340 -0.000 0.000 0.204 396 Q C 0.920 176.961 176.000 0.068 0.000 0.975 396 Q CA 1.763 57.520 55.803 -0.077 0.000 0.866 396 Q CB -0.155 28.391 28.738 -0.319 0.000 0.915 396 Q HN 0.593 nan 8.270 nan 0.000 0.440 397 Y N -0.482 119.905 120.300 0.144 0.000 2.352 397 Y HA -0.035 4.515 4.550 -0.000 0.000 0.292 397 Y C 1.230 177.245 175.900 0.191 0.000 1.136 397 Y CA 0.676 58.885 58.100 0.182 0.000 1.227 397 Y CB 0.014 38.537 38.460 0.105 0.000 0.991 397 Y HN 0.079 nan 8.280 nan 0.000 0.545 398 L N 0.806 122.207 121.223 0.297 0.000 2.688 398 L HA -0.035 4.305 4.340 -0.000 0.000 0.234 398 L C 1.651 178.596 176.870 0.125 0.000 1.192 398 L CA -0.275 54.657 54.840 0.154 0.000 0.984 398 L CB -0.595 41.548 42.059 0.140 0.000 1.232 398 L HN 0.525 nan 8.230 nan 0.000 0.465 399 W N 0.221 121.536 121.300 0.024 0.000 2.421 399 W HA -0.114 4.546 4.660 0.000 0.000 0.270 399 W C 1.126 177.644 176.519 -0.002 0.000 1.233 399 W CA 0.207 57.554 57.345 0.003 0.000 1.226 399 W CB -0.606 28.846 29.460 -0.013 0.000 1.121 399 W HN 0.116 nan 8.180 nan 0.000 0.579 400 R N 0.880 120.967 120.500 -0.687 0.000 2.359 400 R HA 0.091 4.431 4.340 -0.000 0.000 0.231 400 R C 1.863 177.975 176.300 -0.314 0.000 0.913 400 R CA -0.059 55.629 56.100 -0.685 0.000 1.075 400 R CB -0.870 28.867 30.300 -0.937 0.000 1.087 400 R HN 0.260 nan 8.270 nan 0.000 0.515 401 L N 1.763 122.874 121.223 -0.187 0.000 2.056 401 L HA 0.037 4.377 4.340 -0.000 0.000 0.207 401 L C -1.009 175.820 176.870 -0.069 0.000 1.078 401 L CA 1.844 56.624 54.840 -0.100 0.000 0.749 401 L CB -0.804 41.221 42.059 -0.057 0.000 0.901 401 L HN 0.008 nan 8.230 nan 0.000 0.433 402 P HA -0.118 nan 4.420 nan 0.000 0.217 402 P C 1.481 178.731 177.300 -0.083 0.000 1.150 402 P CA 1.805 64.856 63.100 -0.082 0.000 0.832 402 P CB -0.123 31.545 31.700 -0.053 0.000 0.787 403 A N -1.603 121.162 122.820 -0.091 0.000 1.930 403 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 403 A C 2.238 179.758 177.584 -0.107 0.000 1.175 403 A CA 1.292 53.268 52.037 -0.102 0.000 0.627 403 A CB -1.803 17.114 19.000 -0.138 0.000 0.815 403 A HN 0.162 nan 8.150 nan 0.000 0.443 404 Y N 0.492 120.668 120.300 -0.207 0.000 2.163 404 Y HA -0.087 4.463 4.550 -0.000 0.000 0.288 404 Y C 1.893 177.674 175.900 -0.199 0.000 1.136 404 Y CA 1.808 59.782 58.100 -0.211 0.000 1.147 404 Y CB -0.207 38.117 38.460 -0.227 0.000 0.987 404 Y HN 0.190 nan 8.280 nan 0.000 0.509 405 L N 0.168 121.328 121.223 -0.106 0.000 2.362 405 L HA -0.193 4.147 4.340 -0.000 0.000 0.219 405 L C 2.459 179.209 176.870 -0.201 0.000 1.134 405 L CA 1.189 55.907 54.840 -0.203 0.000 0.807 405 L CB -0.517 41.374 42.059 -0.280 0.000 0.927 405 L HN 0.361 nan 8.230 nan 0.000 0.447 406 Q N 0.010 119.710 119.800 -0.167 0.000 2.079 406 Q HA -0.264 4.076 4.340 -0.000 0.000 0.200 406 Q C 2.267 178.171 176.000 -0.160 0.000 0.974 406 Q CA 1.659 57.389 55.803 -0.122 0.000 0.840 406 Q CB 0.078 28.761 28.738 -0.092 0.000 0.898 406 Q HN 0.485 nan 8.270 nan 0.000 0.430 407 Q N -0.152 119.501 119.800 -0.245 0.000 2.049 407 Q HA -0.177 4.163 4.340 -0.000 0.000 0.198 407 Q C 2.141 177.954 176.000 -0.311 0.000 0.971 407 Q CA 1.125 56.764 55.803 -0.273 0.000 0.833 407 Q CB -0.122 28.412 28.738 -0.340 0.000 0.896 407 Q HN 0.380 nan 8.270 nan 0.000 0.434 408 L N 1.458 122.418 121.223 -0.438 0.000 2.013 408 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 408 L C 1.967 178.714 176.870 -0.205 0.000 1.073 408 L CA 2.367 56.954 54.840 -0.422 0.000 0.753 408 L CB -0.735 41.065 42.059 -0.430 0.000 0.890 408 L HN 0.342 nan 8.230 nan 0.000 0.432 409 D N -1.154 119.170 120.400 -0.127 0.000 2.146 409 D HA -0.129 4.511 4.640 -0.000 0.000 0.209 409 D C 2.158 178.453 176.300 -0.009 0.000 0.973 409 D CA 1.526 55.512 54.000 -0.023 0.000 0.860 409 D CB 0.054 40.857 40.800 0.005 0.000 1.015 409 D HN 0.384 nan 8.370 nan 0.000 0.465 410 M N 0.308 119.886 119.600 -0.038 0.000 2.159 410 M HA -0.096 4.384 4.480 -0.000 0.000 0.263 410 M C 2.167 178.440 176.300 -0.045 0.000 1.063 410 M CA 1.168 56.450 55.300 -0.030 0.000 1.110 410 M CB -0.158 32.420 32.600 -0.037 0.000 1.374 410 M HN -0.002 nan 8.290 nan 0.000 0.411 411 E N -0.302 119.854 120.200 -0.075 0.000 2.285 411 E HA -0.081 4.269 4.350 -0.000 0.000 0.194 411 E C 1.765 178.340 176.600 -0.043 0.000 0.997 411 E CA 0.767 57.124 56.400 -0.071 0.000 0.845 411 E CB 0.316 29.957 29.700 -0.098 0.000 0.782 411 E HN 0.361 nan 8.360 nan 0.000 0.491 412 S N 0.754 116.434 115.700 -0.033 0.000 2.356 412 S HA 0.002 4.472 4.470 -0.000 0.000 0.219 412 S C 1.313 175.922 174.600 0.016 0.000 1.036 412 S CA 0.685 58.882 58.200 -0.005 0.000 0.965 412 S CB 0.024 63.236 63.200 0.020 0.000 0.864 412 S HN 0.257 nan 8.310 nan 0.000 0.471 413 N N 0.993 119.730 118.700 0.062 0.000 2.230 413 N HA 0.170 4.910 4.740 -0.000 0.000 0.202 413 N C 0.453 176.003 175.510 0.066 0.000 1.119 413 N CA 0.038 53.172 53.050 0.140 0.000 0.851 413 N CB 0.347 39.031 38.487 0.329 0.000 0.990 413 N HN 0.308 nan 8.380 nan 0.000 0.497 414 G N 0.985 109.784 108.800 -0.000 0.000 3.343 414 G HA2 0.144 4.104 3.960 -0.000 0.000 0.264 414 G HA3 0.144 4.104 3.960 -0.000 0.000 0.264 414 G C 0.121 174.958 174.900 -0.105 0.000 0.884 414 G CA -0.189 44.874 45.100 -0.060 0.000 1.916 414 G HN -0.120 nan 8.290 nan 0.000 0.618 415 K N 0.803 121.153 120.400 -0.083 0.000 2.385 415 K HA 0.348 4.668 4.320 -0.000 0.000 0.248 415 K C -0.504 176.082 176.600 -0.024 0.000 0.955 415 K CA -0.999 55.237 56.287 -0.085 0.000 0.816 415 K CB 1.934 34.451 32.500 0.028 0.000 1.250 415 K HN 0.321 nan 8.250 nan 0.000 0.434 416 Y N -2.270 118.024 120.300 -0.011 0.000 2.563 416 Y HA 0.400 4.950 4.550 -0.000 0.000 0.250 416 Y C -0.118 175.769 175.900 -0.023 0.000 1.126 416 Y CA -1.091 56.986 58.100 -0.039 0.000 1.231 416 Y CB -0.192 38.240 38.460 -0.046 0.000 1.288 416 Y HN 0.028 nan 8.280 nan 0.000 0.537 417 V N 2.209 122.299 119.914 0.292 0.000 2.604 417 V HA 0.517 4.637 4.120 -0.000 0.000 0.305 417 V C 0.370 176.538 176.094 0.124 0.000 1.043 417 V CA -0.451 61.953 62.300 0.174 0.000 0.888 417 V CB 1.850 33.784 31.823 0.184 0.000 0.995 417 V HN 0.419 nan 8.190 nan 0.000 0.429 418 T N 1.554 116.157 114.554 0.083 0.000 2.816 418 T HA 0.311 4.661 4.350 -0.000 0.000 0.282 418 T C 1.065 175.819 174.700 0.090 0.000 0.993 418 T CA -0.446 61.701 62.100 0.078 0.000 0.994 418 T CB 0.860 69.754 68.868 0.044 0.000 1.025 418 T HN 0.559 nan 8.240 nan 0.000 0.529 419 R N 0.352 120.910 120.500 0.098 0.000 2.189 419 R HA -0.041 4.299 4.340 -0.000 0.000 0.223 419 R C 2.540 178.894 176.300 0.089 0.000 1.092 419 R CA 1.271 57.441 56.100 0.116 0.000 0.989 419 R CB -0.358 30.026 30.300 0.140 0.000 0.876 419 R HN 0.851 nan 8.270 nan 0.000 0.457 420 S N -0.884 114.854 115.700 0.064 0.000 2.562 420 S HA 0.086 4.556 4.470 -0.000 0.000 0.221 420 S C 1.353 175.973 174.600 0.034 0.000 0.975 420 S CA 0.415 58.642 58.200 0.046 0.000 0.918 420 S CB 0.579 63.797 63.200 0.031 0.000 0.772 420 S HN 0.471 nan 8.310 nan 0.000 0.531 421 G N 0.961 109.785 108.800 0.039 0.000 2.132 421 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.234 421 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.234 421 G C -0.171 174.735 174.900 0.010 0.000 0.989 421 G CA 0.057 45.172 45.100 0.025 0.000 0.676 421 G HN 0.572 nan 8.290 nan 0.000 0.522 422 K N 0.428 120.835 120.400 0.010 0.000 2.221 422 K HA 0.640 4.960 4.320 -0.000 0.000 0.243 422 K C 0.577 177.170 176.600 -0.010 0.000 0.968 422 K CA -0.164 56.117 56.287 -0.009 0.000 0.846 422 K CB 1.484 33.975 32.500 -0.015 0.000 1.141 422 K HN 0.327 nan 8.250 nan 0.000 0.434 423 T N -1.841 112.689 114.554 -0.039 0.000 2.907 423 T HA 0.214 4.563 4.350 -0.000 0.000 0.298 423 T C 0.621 175.292 174.700 -0.049 0.000 1.017 423 T CA -0.970 61.096 62.100 -0.056 0.000 1.118 423 T CB 0.489 69.287 68.868 -0.115 0.000 0.948 423 T HN 0.377 nan 8.240 nan 0.000 0.531 424 V N 1.849 121.743 119.914 -0.035 0.000 2.843 424 V HA 0.332 4.452 4.120 -0.000 0.000 0.305 424 V C 0.733 176.774 176.094 -0.088 0.000 1.065 424 V CA -0.177 62.088 62.300 -0.058 0.000 1.116 424 V CB 0.829 32.614 31.823 -0.064 0.000 0.968 424 V HN 0.994 nan 8.190 nan 0.000 0.487 425 S N 1.720 117.353 115.700 -0.111 0.000 2.539 425 S HA 0.223 4.693 4.470 -0.000 0.000 0.221 425 S C 0.646 175.175 174.600 -0.119 0.000 0.987 425 S CA 0.308 58.442 58.200 -0.110 0.000 0.929 425 S CB -0.103 63.030 63.200 -0.112 0.000 0.832 425 S HN 1.192 nan 8.310 nan 0.000 0.492 426 T N -0.806 113.657 114.554 -0.151 0.000 2.907 426 T HA 0.692 5.042 4.350 -0.000 0.000 0.290 426 T C -0.356 174.197 174.700 -0.245 0.000 1.066 426 T CA -0.900 61.108 62.100 -0.153 0.000 1.012 426 T CB 0.787 69.579 68.868 -0.127 0.000 1.184 426 T HN 0.005 nan 8.240 nan 0.000 0.522 427 L N 2.133 123.200 121.223 -0.260 0.000 2.417 427 L HA 0.427 4.767 4.340 -0.000 0.000 0.268 427 L C 1.535 177.939 176.870 -0.777 0.000 1.158 427 L CA -0.514 54.120 54.840 -0.344 0.000 0.819 427 L CB 1.015 42.946 42.059 -0.214 0.000 1.112 427 L HN 1.123 nan 8.230 nan 0.000 0.458 428 T N -1.070 113.002 114.554 -0.804 0.000 2.624 428 T HA 0.355 4.704 4.350 -0.000 0.000 0.223 428 T C 0.645 174.750 174.700 -0.992 0.000 0.992 428 T CA -0.086 61.164 62.100 -1.418 0.000 1.111 428 T CB -0.119 68.321 68.868 -0.715 0.000 2.611 428 T HN 0.604 nan 8.240 nan 0.000 0.489 429 G N 3.499 112.058 108.800 -0.401 0.000 2.265 429 G HA2 0.446 4.406 3.960 -0.000 0.000 0.240 429 G HA3 0.446 4.406 3.960 -0.000 0.000 0.240 429 G C -2.102 172.800 174.900 0.004 0.000 1.270 429 G CA -0.638 44.471 45.100 0.014 0.000 0.901 429 G HN 0.685 nan 8.290 nan 0.000 0.507 430 P HA 0.399 nan 4.420 nan 0.000 0.281 430 P C -0.490 176.867 177.300 0.095 0.000 1.281 430 P CA -0.851 62.310 63.100 0.101 0.000 0.811 430 P CB 1.409 33.211 31.700 0.170 0.000 1.154 431 I N 0.860 121.494 120.570 0.106 0.000 2.371 431 I HA 0.125 4.295 4.170 -0.000 0.000 0.290 431 I C 0.550 176.780 176.117 0.189 0.000 1.028 431 I CA -0.112 61.251 61.300 0.105 0.000 1.345 431 I CB -0.055 37.986 38.000 0.069 0.000 1.407 431 I HN 0.100 nan 8.210 nan 0.000 0.501 432 I N 7.855 128.513 120.570 0.146 0.000 2.392 432 I HA 0.448 4.618 4.170 -0.000 0.000 0.295 432 I C -0.196 176.024 176.117 0.173 0.000 0.985 432 I CA -0.464 60.919 61.300 0.139 0.000 1.221 432 I CB 0.774 38.804 38.000 0.049 0.000 1.366 432 I HN 0.495 nan 8.210 nan 0.000 0.467 433 F N 2.784 122.693 119.950 -0.068 0.000 2.711 433 F HA 0.922 5.449 4.527 -0.000 0.000 0.313 433 F C -0.330 175.385 175.800 -0.142 0.000 1.141 433 F CA -0.747 57.174 58.000 -0.133 0.000 0.941 433 F CB 1.720 40.601 39.000 -0.198 0.000 1.349 433 F HN 0.738 nan 8.300 nan 0.000 0.464 434 G N 0.865 109.548 108.800 -0.195 0.000 2.347 434 G HA2 0.445 4.405 3.960 -0.000 0.000 0.321 434 G HA3 0.445 4.405 3.960 -0.000 0.000 0.321 434 G C -2.320 172.633 174.900 0.089 0.000 1.412 434 G CA -0.907 44.086 45.100 -0.177 0.000 0.990 434 G HN 0.824 nan 8.290 nan 0.000 0.637 435 E N -1.065 119.314 120.200 0.297 0.000 2.446 435 E HA 0.683 5.032 4.350 -0.000 0.000 0.276 435 E C 0.144 176.845 176.600 0.167 0.000 0.969 435 E CA -0.388 56.173 56.400 0.268 0.000 0.800 435 E CB 2.170 32.102 29.700 0.386 0.000 1.341 435 E HN 1.282 nan 8.360 nan 0.000 0.460 436 A N 0.734 123.626 122.820 0.120 0.000 2.488 436 A HA 0.501 4.821 4.320 -0.000 0.000 0.249 436 A C 0.635 178.136 177.584 -0.139 0.000 1.083 436 A CA 0.572 52.626 52.037 0.028 0.000 0.768 436 A CB -0.043 19.017 19.000 0.100 0.000 1.017 436 A HN 0.487 nan 8.150 nan 0.000 0.496 437 G N 0.690 109.219 108.800 -0.452 0.000 2.527 437 G HA2 0.384 4.344 3.960 -0.000 0.000 0.248 437 G HA3 0.384 4.344 3.960 -0.000 0.000 0.248 437 G C 0.930 175.608 174.900 -0.370 0.000 1.231 437 G CA 0.407 44.916 45.100 -0.985 0.000 0.838 437 G HN 1.224 nan 8.290 nan 0.000 0.570 438 T N -0.986 113.538 114.554 -0.049 0.000 3.219 438 T HA 0.011 4.361 4.350 -0.000 0.000 0.249 438 T C 1.495 176.126 174.700 -0.114 0.000 1.099 438 T CA 0.156 62.189 62.100 -0.112 0.000 0.988 438 T CB -0.219 68.763 68.868 0.190 0.000 0.999 438 T HN 0.376 nan 8.240 nan 0.000 0.550 439 N N 1.931 120.549 118.700 -0.137 0.000 2.166 439 N HA 0.042 4.782 4.740 -0.000 0.000 0.186 439 N C 2.161 177.549 175.510 -0.202 0.000 1.019 439 N CA 1.354 54.345 53.050 -0.099 0.000 0.856 439 N CB -0.706 37.738 38.487 -0.071 0.000 0.993 439 N HN 0.571 nan 8.380 nan 0.000 0.426 440 G N 0.519 109.066 108.800 -0.421 0.000 2.462 440 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.220 440 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.220 440 G C 1.332 175.473 174.900 -1.265 0.000 1.121 440 G CA 0.499 45.057 45.100 -0.904 0.000 0.758 440 G HN 0.355 nan 8.290 nan 0.000 0.559 441 Q N -0.528 118.522 119.800 -1.251 0.000 2.226 441 Q HA -0.071 4.269 4.340 -0.000 0.000 0.204 441 Q C 1.469 177.115 176.000 -0.590 0.000 0.975 441 Q CA 0.984 56.161 55.803 -1.044 0.000 0.866 441 Q CB -0.047 28.287 28.738 -0.674 0.000 0.915 441 Q HN 0.646 nan 8.270 nan 0.000 0.440 442 H N -2.207 116.682 119.070 -0.302 0.000 2.542 442 H HA 0.391 4.946 4.556 -0.000 0.000 0.283 442 H C 0.696 175.967 175.328 -0.094 0.000 1.059 442 H CA 0.457 56.423 56.048 -0.136 0.000 1.162 442 H CB 0.879 30.580 29.762 -0.102 0.000 1.539 442 H HN 0.233 nan 8.280 nan 0.000 0.543 443 A N 0.622 123.399 122.820 -0.072 0.000 2.008 443 A HA 0.155 4.475 4.320 -0.000 0.000 0.201 443 A C 0.952 178.642 177.584 0.176 0.000 1.794 443 A CA 0.056 52.124 52.037 0.052 0.000 0.952 443 A CB -0.162 18.901 19.000 0.105 0.000 1.147 443 A HN 0.218 nan 8.150 nan 0.000 0.589 444 F N -3.829 116.254 119.950 0.222 0.000 2.856 444 F HA 0.490 5.017 4.527 -0.000 0.000 0.338 444 F C 1.002 177.032 175.800 0.383 0.000 1.100 444 F CA -0.681 57.478 58.000 0.266 0.000 1.150 444 F CB 0.022 39.181 39.000 0.263 0.000 1.101 444 F HN 0.068 nan 8.300 nan 0.000 0.548 445 Y N 1.754 122.022 120.300 -0.053 0.000 2.421 445 Y HA -0.107 4.442 4.550 -0.000 0.000 0.292 445 Y C 2.634 178.692 175.900 0.265 0.000 1.136 445 Y CA 1.240 59.412 58.100 0.119 0.000 1.255 445 Y CB -0.754 37.766 38.460 0.099 0.000 0.991 445 Y HN 0.329 nan 8.280 nan 0.000 0.552 446 Q N 0.645 120.655 119.800 0.349 0.000 2.096 446 Q HA -0.205 4.135 4.340 -0.000 0.000 0.204 446 Q C 2.170 178.308 176.000 0.231 0.000 0.982 446 Q CA 1.881 57.839 55.803 0.258 0.000 0.850 446 Q CB -0.735 28.104 28.738 0.168 0.000 0.901 446 Q HN 0.598 nan 8.270 nan 0.000 0.422 447 L N -0.677 120.685 121.223 0.231 0.000 2.109 447 L HA -0.001 4.339 4.340 -0.000 0.000 0.207 447 L C 2.109 179.078 176.870 0.165 0.000 1.086 447 L CA 0.937 55.882 54.840 0.175 0.000 0.760 447 L CB -0.129 42.028 42.059 0.162 0.000 0.910 447 L HN 0.331 nan 8.230 nan 0.000 0.437 448 I N -1.063 119.619 120.570 0.187 0.000 2.286 448 I HA -0.286 3.884 4.170 -0.000 0.000 0.248 448 I C 2.308 178.430 176.117 0.008 0.000 1.115 448 I CA 0.954 62.292 61.300 0.063 0.000 1.392 448 I CB -0.590 37.369 38.000 -0.069 0.000 1.065 448 I HN 0.364 nan 8.210 nan 0.000 0.418 449 H N 0.415 119.574 119.070 0.148 0.000 2.384 449 H HA 0.073 4.629 4.556 -0.000 0.000 0.300 449 H C 1.241 176.626 175.328 0.095 0.000 1.057 449 H CA 1.064 57.225 56.048 0.190 0.000 1.370 449 H CB 0.318 30.287 29.762 0.345 0.000 1.417 449 H HN 0.440 nan 8.280 nan 0.000 0.527 450 Q N 0.212 120.105 119.800 0.154 0.000 2.135 450 Q HA 0.231 4.571 4.340 -0.000 0.000 0.222 450 Q C 0.623 176.639 176.000 0.028 0.000 0.808 450 Q CA -0.372 55.437 55.803 0.010 0.000 1.049 450 Q CB 1.871 30.536 28.738 -0.122 0.000 1.168 450 Q HN 0.197 nan 8.270 nan 0.000 0.483 451 G N 0.221 109.059 108.800 0.064 0.000 2.537 451 G HA2 0.188 4.148 3.960 -0.000 0.000 0.297 451 G HA3 0.188 4.148 3.960 -0.000 0.000 0.297 451 G C 0.726 175.654 174.900 0.047 0.000 1.310 451 G CA -0.143 44.989 45.100 0.054 0.000 1.027 451 G HN 0.167 nan 8.290 nan 0.000 0.505 452 T N -1.945 112.633 114.554 0.041 0.000 3.163 452 T HA 0.217 4.567 4.350 -0.000 0.000 0.252 452 T C 0.321 175.052 174.700 0.052 0.000 1.056 452 T CA -0.416 61.709 62.100 0.042 0.000 0.947 452 T CB -0.290 68.596 68.868 0.030 0.000 1.016 452 T HN 0.268 nan 8.240 nan 0.000 0.554 453 N N 1.495 120.229 118.700 0.057 0.000 2.314 453 N HA 0.336 5.076 4.740 -0.000 0.000 0.304 453 N C -1.396 174.161 175.510 0.078 0.000 1.073 453 N CA -0.739 52.349 53.050 0.064 0.000 0.822 453 N CB 2.117 40.633 38.487 0.049 0.000 1.280 453 N HN 0.122 nan 8.380 nan 0.000 0.489 454 L N 3.188 124.467 121.223 0.093 0.000 2.278 454 L HA 0.461 4.801 4.340 -0.000 0.000 0.287 454 L C -0.709 176.197 176.870 0.060 0.000 1.072 454 L CA -0.203 54.688 54.840 0.084 0.000 0.819 454 L CB -0.246 41.890 42.059 0.129 0.000 1.176 454 L HN 0.516 nan 8.230 nan 0.000 0.435 455 I N 7.434 128.022 120.570 0.030 0.000 2.437 455 I HA 0.295 4.465 4.170 -0.000 0.000 0.279 455 I C -2.187 173.892 176.117 -0.063 0.000 1.028 455 I CA -1.801 59.524 61.300 0.041 0.000 1.142 455 I CB 1.715 39.796 38.000 0.134 0.000 1.266 455 I HN 0.424 nan 8.210 nan 0.000 0.461 456 P HA 0.115 nan 4.420 nan 0.000 0.268 456 P C -0.908 176.254 177.300 -0.229 0.000 1.204 456 P CA -0.117 62.883 63.100 -0.167 0.000 0.768 456 P CB 0.534 32.222 31.700 -0.021 0.000 0.842 457 C N 2.670 121.869 119.300 -0.168 0.000 2.507 457 C HA 0.438 4.898 4.460 -0.000 0.000 0.319 457 C C -0.396 174.586 174.990 -0.013 0.000 1.208 457 C CA -0.287 58.613 59.018 -0.197 0.000 1.619 457 C CB 1.440 29.183 27.740 0.005 0.000 2.230 457 C HN 0.494 nan 8.230 nan 0.000 0.492 458 D N 1.599 121.947 120.400 -0.088 0.000 2.414 458 D HA 0.456 5.096 4.640 -0.000 0.000 0.232 458 D C -0.910 175.481 176.300 0.153 0.000 1.070 458 D CA -0.021 54.078 54.000 0.165 0.000 0.839 458 D CB 0.704 41.678 40.800 0.290 0.000 1.079 458 D HN 0.264 nan 8.370 nan 0.000 0.521 459 F N 2.344 122.356 119.950 0.103 0.000 2.385 459 F HA 0.437 4.964 4.527 -0.000 0.000 0.360 459 F C 0.524 176.560 175.800 0.392 0.000 1.122 459 F CA -0.607 57.497 58.000 0.173 0.000 1.090 459 F CB 0.809 39.684 39.000 -0.208 0.000 1.150 459 F HN 0.117 nan 8.300 nan 0.000 0.472 460 I N 3.053 123.990 120.570 0.611 0.000 2.378 460 I HA 0.735 4.905 4.170 -0.000 0.000 0.291 460 I C 0.285 176.588 176.117 0.310 0.000 0.992 460 I CA -0.394 61.189 61.300 0.472 0.000 1.154 460 I CB 1.677 39.874 38.000 0.328 0.000 1.315 460 I HN 0.667 nan 8.210 nan 0.000 0.448 461 G N 3.789 112.594 108.800 0.008 0.000 2.684 461 G HA2 0.800 4.760 3.960 -0.000 0.000 0.290 461 G HA3 0.800 4.760 3.960 -0.000 0.000 0.290 461 G C -1.980 172.788 174.900 -0.220 0.000 1.425 461 G CA -0.658 44.151 45.100 -0.484 0.000 0.822 461 G HN 0.736 nan 8.290 nan 0.000 0.482 462 A N -0.221 122.517 122.820 -0.138 0.000 2.350 462 A HA 0.718 5.038 4.320 -0.000 0.000 0.324 462 A C 0.881 178.535 177.584 0.117 0.000 1.118 462 A CA -0.753 51.295 52.037 0.018 0.000 0.783 462 A CB 1.033 20.086 19.000 0.089 0.000 1.236 462 A HN 0.600 nan 8.150 nan 0.000 0.457 463 I N 0.063 120.707 120.570 0.123 0.000 2.353 463 I HA -0.156 4.014 4.170 -0.000 0.000 0.248 463 I C 0.800 177.093 176.117 0.293 0.000 1.119 463 I CA 1.201 62.638 61.300 0.228 0.000 1.417 463 I CB 0.012 38.120 38.000 0.179 0.000 1.078 463 I HN 0.638 nan 8.210 nan 0.000 0.421 464 Q N 0.365 120.218 119.800 0.089 0.000 2.312 464 Q HA 0.372 4.712 4.340 -0.000 0.000 0.263 464 Q C -0.540 175.314 176.000 -0.243 0.000 0.995 464 Q CA -0.335 55.417 55.803 -0.085 0.000 0.853 464 Q CB 2.577 31.301 28.738 -0.024 0.000 1.300 464 Q HN 0.061 nan 8.270 nan 0.000 0.448 465 S N 0.841 116.229 115.700 -0.521 0.000 2.646 465 S HA 0.107 4.577 4.470 -0.000 0.000 0.276 465 S C 0.611 175.131 174.600 -0.134 0.000 1.222 465 S CA -0.375 57.610 58.200 -0.358 0.000 1.014 465 S CB 0.848 63.772 63.200 -0.459 0.000 0.991 465 S HN 0.572 nan 8.310 nan 0.000 0.533 466 Q N 1.594 121.373 119.800 -0.036 0.000 2.424 466 Q HA 0.220 4.560 4.340 -0.000 0.000 0.204 466 Q C -0.464 175.505 176.000 -0.052 0.000 0.933 466 Q CA 0.517 56.292 55.803 -0.046 0.000 0.929 466 Q CB -0.070 28.630 28.738 -0.063 0.000 1.037 466 Q HN 0.511 nan 8.270 nan 0.000 0.511 467 N N 1.509 120.181 118.700 -0.046 0.000 2.569 467 N HA 0.111 4.851 4.740 -0.000 0.000 0.254 467 N C -0.741 174.726 175.510 -0.072 0.000 1.004 467 N CA -0.293 52.718 53.050 -0.064 0.000 0.904 467 N CB 1.222 39.661 38.487 -0.079 0.000 1.165 467 N HN -0.198 nan 8.380 nan 0.000 0.513 468 K N 2.468 122.835 120.400 -0.055 0.000 2.278 468 K HA 0.271 4.591 4.320 -0.000 0.000 0.237 468 K C 0.087 176.676 176.600 -0.018 0.000 1.229 468 K CA -0.238 56.033 56.287 -0.027 0.000 1.155 468 K CB 0.023 32.513 32.500 -0.017 0.000 1.590 468 K HN 0.451 nan 8.250 nan 0.000 0.290 469 I N 1.387 121.941 120.570 -0.027 0.000 2.306 469 I HA 0.150 4.320 4.170 -0.000 0.000 0.288 469 I C 1.504 177.694 176.117 0.122 0.000 1.036 469 I CA -0.100 61.178 61.300 -0.036 0.000 1.221 469 I CB -0.033 37.812 38.000 -0.258 0.000 1.385 469 I HN 0.635 nan 8.210 nan 0.000 0.472 470 G N 7.426 116.294 108.800 0.113 0.000 2.698 470 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.337 470 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.337 470 G C 0.481 175.463 174.900 0.137 0.000 1.286 470 G CA 0.624 45.804 45.100 0.134 0.000 1.000 470 G HN 0.567 nan 8.290 nan 0.000 0.547 471 D N 0.087 120.560 120.400 0.123 0.000 2.424 471 D HA 0.199 4.839 4.640 -0.000 0.000 0.220 471 D C 1.705 178.063 176.300 0.097 0.000 1.150 471 D CA 0.027 54.080 54.000 0.090 0.000 0.831 471 D CB -0.246 40.575 40.800 0.034 0.000 0.981 471 D HN 0.567 nan 8.370 nan 0.000 0.500 472 H N 0.051 119.164 119.070 0.072 0.000 2.319 472 H HA -0.154 4.402 4.556 -0.000 0.000 0.297 472 H C 1.876 177.303 175.328 0.165 0.000 1.097 472 H CA 1.282 57.374 56.048 0.073 0.000 1.285 472 H CB 0.188 29.955 29.762 0.008 0.000 1.368 472 H HN 0.416 nan 8.280 nan 0.000 0.495 473 H N 1.601 120.803 119.070 0.220 0.000 2.389 473 H HA -0.103 4.453 4.556 -0.000 0.000 0.299 473 H C 2.215 177.690 175.328 0.245 0.000 1.081 473 H CA 1.722 57.920 56.048 0.251 0.000 1.345 473 H CB 0.397 30.271 29.762 0.187 0.000 1.393 473 H HN 0.449 nan 8.280 nan 0.000 0.520 474 K N 0.173 120.682 120.400 0.181 0.000 2.155 474 K HA -0.039 4.281 4.320 -0.000 0.000 0.203 474 K C 2.140 178.798 176.600 0.096 0.000 1.052 474 K CA 1.426 57.778 56.287 0.108 0.000 0.948 474 K CB -0.223 32.347 32.500 0.116 0.000 0.728 474 K HN 0.224 nan 8.250 nan 0.000 0.448 475 I N 0.588 121.223 120.570 0.108 0.000 2.252 475 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 475 I C 2.344 178.564 176.117 0.172 0.000 1.102 475 I CA 1.002 62.361 61.300 0.097 0.000 1.385 475 I CB -0.272 37.748 38.000 0.033 0.000 1.064 475 I HN 0.102 nan 8.210 nan 0.000 0.414 476 F N 1.564 121.520 119.950 0.010 0.000 2.075 476 F HA -0.226 4.300 4.527 -0.000 0.000 0.297 476 F C 2.427 178.235 175.800 0.013 0.000 1.113 476 F CA 1.687 59.706 58.000 0.033 0.000 1.218 476 F CB -0.296 38.717 39.000 0.023 0.000 0.984 476 F HN -0.055 nan 8.300 nan 0.000 0.472 477 M N 0.363 119.851 119.600 -0.186 0.000 2.476 477 M HA -0.078 4.401 4.480 -0.000 0.000 0.262 477 M C 2.395 178.612 176.300 -0.139 0.000 1.079 477 M CA 1.317 56.390 55.300 -0.379 0.000 1.104 477 M CB -1.782 30.577 32.600 -0.401 0.000 1.409 477 M HN 0.404 nan 8.290 nan 0.000 0.467 478 S N 0.442 116.163 115.700 0.036 0.000 2.402 478 S HA -0.085 4.385 4.470 -0.000 0.000 0.229 478 S C 1.621 176.256 174.600 0.058 0.000 1.021 478 S CA 0.970 59.240 58.200 0.117 0.000 0.974 478 S CB -0.431 62.827 63.200 0.096 0.000 0.800 478 S HN 0.494 nan 8.310 nan 0.000 0.484 479 N N 0.566 119.282 118.700 0.027 0.000 2.216 479 N HA 0.010 4.749 4.740 -0.000 0.000 0.183 479 N C 1.426 176.873 175.510 -0.104 0.000 1.017 479 N CA 1.163 54.245 53.050 0.053 0.000 0.861 479 N CB -0.442 38.175 38.487 0.216 0.000 0.986 479 N HN 0.489 nan 8.380 nan 0.000 0.428 480 F N 1.627 121.230 119.950 -0.578 0.000 2.095 480 F HA -0.176 4.350 4.527 -0.000 0.000 0.298 480 F C 1.756 177.117 175.800 -0.732 0.000 1.104 480 F CA 1.501 58.888 58.000 -1.022 0.000 1.232 480 F CB -0.371 37.886 39.000 -1.239 0.000 0.987 480 F HN -0.136 nan 8.300 nan 0.000 0.475 481 F N 0.195 119.985 119.950 -0.267 0.000 2.234 481 F HA 0.107 4.634 4.527 -0.000 0.000 0.296 481 F C 2.531 178.143 175.800 -0.314 0.000 1.089 481 F CA 0.823 58.631 58.000 -0.319 0.000 1.343 481 F CB -1.611 37.315 39.000 -0.122 0.000 1.040 481 F HN 0.048 nan 8.300 nan 0.000 0.498 482 A N -0.293 122.494 122.820 -0.055 0.000 1.930 482 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 482 A C 2.229 179.736 177.584 -0.129 0.000 1.175 482 A CA 1.163 53.154 52.037 -0.077 0.000 0.627 482 A CB -0.530 18.452 19.000 -0.029 0.000 0.815 482 A HN 0.258 nan 8.150 nan 0.000 0.443 483 Q N -0.206 119.500 119.800 -0.157 0.000 2.084 483 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 483 Q C 2.398 178.202 176.000 -0.326 0.000 0.978 483 Q CA 2.228 57.981 55.803 -0.083 0.000 0.844 483 Q CB -0.961 27.889 28.738 0.187 0.000 0.898 483 Q HN 0.880 nan 8.270 nan 0.000 0.426 484 T N -1.677 112.467 114.554 -0.684 0.000 2.857 484 T HA -0.119 4.231 4.350 -0.000 0.000 0.266 484 T C 1.726 176.214 174.700 -0.352 0.000 1.048 484 T CA 1.284 62.982 62.100 -0.669 0.000 1.139 484 T CB -0.079 68.311 68.868 -0.798 0.000 0.874 484 T HN 0.340 nan 8.240 nan 0.000 0.455 485 E N 1.539 121.569 120.200 -0.283 0.000 2.072 485 E HA -0.070 4.279 4.350 -0.000 0.000 0.191 485 E C 2.480 178.981 176.600 -0.165 0.000 0.985 485 E CA 0.971 57.239 56.400 -0.220 0.000 0.801 485 E CB -0.446 29.144 29.700 -0.184 0.000 0.750 485 E HN 0.620 nan 8.360 nan 0.000 0.452 486 A N 1.203 123.952 122.820 -0.119 0.000 1.902 486 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 486 A C 2.226 179.845 177.584 0.058 0.000 1.181 486 A CA 1.196 53.200 52.037 -0.054 0.000 0.623 486 A CB -0.723 18.269 19.000 -0.013 0.000 0.818 486 A HN 0.324 nan 8.150 nan 0.000 0.443 487 L N -1.360 119.892 121.223 0.049 0.000 2.083 487 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 487 L C 2.818 179.679 176.870 -0.014 0.000 1.083 487 L CA 1.880 56.717 54.840 -0.005 0.000 0.752 487 L CB -0.354 41.614 42.059 -0.153 0.000 0.899 487 L HN 0.669 nan 8.230 nan 0.000 0.433 488 M N 0.446 120.001 119.600 -0.075 0.000 2.115 488 M HA -0.128 4.352 4.480 -0.000 0.000 0.261 488 M C 2.277 178.540 176.300 -0.063 0.000 1.079 488 M CA 1.752 57.002 55.300 -0.084 0.000 1.143 488 M CB -0.042 32.462 32.600 -0.159 0.000 1.332 488 M HN 0.215 nan 8.290 nan 0.000 0.421 489 I N -1.247 119.268 120.570 -0.091 0.000 2.500 489 I HA 0.287 4.457 4.170 -0.000 0.000 0.252 489 I C 1.368 177.472 176.117 -0.021 0.000 1.142 489 I CA 0.562 61.817 61.300 -0.075 0.000 1.451 489 I CB -1.411 36.520 38.000 -0.115 0.000 1.093 489 I HN 0.531 nan 8.210 nan 0.000 0.430 490 G N 1.799 110.598 108.800 -0.001 0.000 2.601 490 G HA2 -0.336 3.623 3.960 -0.000 0.000 0.252 490 G HA3 -0.336 3.623 3.960 -0.000 0.000 0.252 490 G C -0.251 174.653 174.900 0.006 0.000 1.294 490 G CA 0.402 45.543 45.100 0.069 0.000 0.912 490 G HN 0.766 nan 8.290 nan 0.000 0.574 491 K N -0.349 120.117 120.400 0.110 0.000 2.656 491 K HA 0.535 4.854 4.320 -0.000 0.000 0.253 491 K C 0.371 177.047 176.600 0.127 0.000 1.002 491 K CA 0.162 56.498 56.287 0.082 0.000 0.880 491 K CB 0.969 33.507 32.500 0.063 0.000 1.232 491 K HN 1.288 nan 8.250 nan 0.000 0.456 492 S N 3.110 118.853 115.700 0.071 0.000 2.593 492 S HA 0.241 4.711 4.470 -0.000 0.000 0.269 492 S C -1.794 172.841 174.600 0.058 0.000 1.334 492 S CA -0.798 57.438 58.200 0.060 0.000 1.015 492 S CB 0.926 64.148 63.200 0.036 0.000 0.912 492 S HN 0.454 nan 8.310 nan 0.000 0.541 493 P HA -0.034 nan 4.420 nan 0.000 0.218 493 P C 1.362 178.681 177.300 0.032 0.000 1.148 493 P CA 1.179 64.301 63.100 0.037 0.000 0.822 493 P CB -0.063 31.652 31.700 0.024 0.000 0.784 494 S N -0.306 115.410 115.700 0.027 0.000 2.368 494 S HA -0.146 4.324 4.470 -0.000 0.000 0.224 494 S C 1.699 176.311 174.600 0.020 0.000 1.029 494 S CA 1.201 59.413 58.200 0.020 0.000 0.988 494 S CB -0.731 62.478 63.200 0.015 0.000 0.838 494 S HN 0.406 nan 8.310 nan 0.000 0.462 495 E N 0.816 121.030 120.200 0.023 0.000 2.150 495 E HA -0.053 4.297 4.350 -0.000 0.000 0.193 495 E C 1.942 178.558 176.600 0.027 0.000 0.985 495 E CA 0.866 57.277 56.400 0.019 0.000 0.814 495 E CB -0.220 29.488 29.700 0.013 0.000 0.752 495 E HN 0.262 nan 8.360 nan 0.000 0.466 496 V N 1.400 121.340 119.914 0.043 0.000 2.379 496 V HA -0.216 3.904 4.120 -0.000 0.000 0.245 496 V C 2.457 178.574 176.094 0.039 0.000 1.044 496 V CA 1.746 64.078 62.300 0.054 0.000 1.036 496 V CB -0.461 31.406 31.823 0.073 0.000 0.664 496 V HN 0.186 nan 8.190 nan 0.000 0.453 497 R N 0.034 120.553 120.500 0.032 0.000 2.081 497 R HA -0.187 4.153 4.340 -0.000 0.000 0.235 497 R C 2.484 178.796 176.300 0.019 0.000 1.131 497 R CA 1.652 57.767 56.100 0.025 0.000 0.960 497 R CB -0.125 30.188 30.300 0.021 0.000 0.856 497 R HN 0.296 nan 8.270 nan 0.000 0.436 498 R N 0.415 120.925 120.500 0.016 0.000 2.120 498 R HA -0.065 4.275 4.340 -0.000 0.000 0.234 498 R C 1.966 178.272 176.300 0.010 0.000 1.123 498 R CA 1.571 57.678 56.100 0.011 0.000 0.975 498 R CB -0.029 30.276 30.300 0.007 0.000 0.866 498 R HN 0.422 nan 8.270 nan 0.000 0.446 499 E N -0.356 119.852 120.200 0.014 0.000 2.158 499 E HA -0.044 4.306 4.350 -0.000 0.000 0.191 499 E C 1.631 178.241 176.600 0.017 0.000 0.982 499 E CA 0.646 57.054 56.400 0.013 0.000 0.823 499 E CB 0.104 29.814 29.700 0.016 0.000 0.766 499 E HN 0.271 nan 8.360 nan 0.000 0.468 500 L N 0.656 121.892 121.223 0.021 0.000 2.270 500 L HA -0.064 4.275 4.340 -0.000 0.000 0.210 500 L C 1.982 178.862 176.870 0.016 0.000 1.104 500 L CA 0.790 55.643 54.840 0.021 0.000 0.804 500 L CB -0.002 42.074 42.059 0.028 0.000 0.937 500 L HN 0.069 nan 8.230 nan 0.000 0.450 501 E N 0.367 120.576 120.200 0.014 0.000 2.299 501 E HA 0.005 4.355 4.350 -0.000 0.000 0.193 501 E C 1.137 177.742 176.600 0.008 0.000 0.998 501 E CA 0.337 56.744 56.400 0.011 0.000 0.851 501 E CB 0.134 29.840 29.700 0.010 0.000 0.795 501 E HN 0.341 nan 8.360 nan 0.000 0.492 502 A N 0.636 123.461 122.820 0.008 0.000 3.051 502 A HA 0.414 4.734 4.320 -0.000 0.000 0.257 502 A C 0.754 178.341 177.584 0.005 0.000 1.785 502 A CA 0.730 52.770 52.037 0.005 0.000 1.420 502 A CB -0.526 18.476 19.000 0.004 0.000 1.063 502 A HN 0.244 nan 8.150 nan 0.000 0.630 503 A N -0.907 121.916 122.820 0.005 0.000 1.459 503 A HA 0.453 4.773 4.320 -0.000 0.000 0.204 503 A C 1.617 179.204 177.584 0.005 0.000 1.955 503 A CA 0.758 52.798 52.037 0.005 0.000 1.576 503 A CB -0.811 18.193 19.000 0.006 0.000 1.510 503 A HN 2.161 nan 8.150 nan 0.000 0.301 504 G N -0.027 108.776 108.800 0.006 0.000 2.160 504 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.251 504 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.251 504 G C 0.426 175.329 174.900 0.005 0.000 1.008 504 G CA 0.981 46.084 45.100 0.005 0.000 0.724 504 G HN 0.552 nan 8.290 nan 0.000 0.514 505 E N -0.608 119.596 120.200 0.006 0.000 2.330 505 E HA 0.088 4.438 4.350 -0.000 0.000 0.200 505 E C 1.437 178.040 176.600 0.006 0.000 0.922 505 E CA 0.041 56.444 56.400 0.005 0.000 0.935 505 E CB 0.404 30.106 29.700 0.004 0.000 0.917 505 E HN 0.589 nan 8.360 nan 0.000 0.491 506 R N 1.916 122.420 120.500 0.007 0.000 2.410 506 R HA 0.243 4.582 4.340 -0.000 0.000 0.288 506 R C 0.652 176.958 176.300 0.009 0.000 1.051 506 R CA -0.111 55.994 56.100 0.008 0.000 1.021 506 R CB 1.083 31.389 30.300 0.011 0.000 1.032 506 R HN 0.032 nan 8.270 nan 0.000 0.481 507 S N 1.379 117.084 115.700 0.009 0.000 2.634 507 S HA 0.168 4.638 4.470 -0.000 0.000 0.261 507 S C 1.321 175.928 174.600 0.011 0.000 1.271 507 S CA -0.245 57.961 58.200 0.009 0.000 0.985 507 S CB 1.377 64.582 63.200 0.008 0.000 0.968 507 S HN 0.689 nan 8.310 nan 0.000 0.568 508 A N 0.088 122.914 122.820 0.011 0.000 1.933 508 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 508 A C 2.163 179.756 177.584 0.015 0.000 1.175 508 A CA 1.668 53.712 52.037 0.012 0.000 0.628 508 A CB -1.119 17.887 19.000 0.011 0.000 0.814 508 A HN 0.981 nan 8.150 nan 0.000 0.444 509 E N -0.378 119.830 120.200 0.014 0.000 2.047 509 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 509 E C 1.813 178.425 176.600 0.019 0.000 0.987 509 E CA 0.999 57.408 56.400 0.015 0.000 0.799 509 E CB -0.023 29.684 29.700 0.012 0.000 0.752 509 E HN 0.346 nan 8.360 nan 0.000 0.449 510 K N 0.426 120.836 120.400 0.016 0.000 2.097 510 K HA -0.091 4.229 4.320 -0.000 0.000 0.205 510 K C 2.183 178.798 176.600 0.025 0.000 1.050 510 K CA 0.734 57.031 56.287 0.017 0.000 0.938 510 K CB -0.202 32.306 32.500 0.012 0.000 0.718 510 K HN 0.291 nan 8.250 nan 0.000 0.442 511 I N 1.780 122.364 120.570 0.024 0.000 2.202 511 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 511 I C 1.707 177.846 176.117 0.036 0.000 1.091 511 I CA 1.015 62.332 61.300 0.029 0.000 1.368 511 I CB -0.279 37.734 38.000 0.023 0.000 1.058 511 I HN 0.143 nan 8.210 nan 0.000 0.410 512 N N 1.126 119.845 118.700 0.032 0.000 2.244 512 N HA -0.103 4.637 4.740 -0.000 0.000 0.183 512 N C 1.806 177.345 175.510 0.048 0.000 1.016 512 N CA 1.444 54.514 53.050 0.033 0.000 0.866 512 N CB -0.283 38.219 38.487 0.024 0.000 0.980 512 N HN 0.350 nan 8.380 nan 0.000 0.430 513 A N 0.786 123.640 122.820 0.056 0.000 1.897 513 A HA 0.066 4.386 4.320 -0.000 0.000 0.215 513 A C 2.208 179.885 177.584 0.155 0.000 1.181 513 A CA 0.651 52.739 52.037 0.085 0.000 0.620 513 A CB -0.480 18.553 19.000 0.055 0.000 0.821 513 A HN 0.192 nan 8.150 nan 0.000 0.443 514 L N -0.715 120.577 121.223 0.115 0.000 2.492 514 L HA 0.079 4.419 4.340 -0.000 0.000 0.223 514 L C 2.251 179.211 176.870 0.150 0.000 1.132 514 L CA 0.050 54.973 54.840 0.139 0.000 0.850 514 L CB -0.107 41.990 42.059 0.063 0.000 0.966 514 L HN 0.425 nan 8.230 nan 0.000 0.454 515 L N 0.802 122.085 121.223 0.100 0.000 1.970 515 L HA -0.153 4.187 4.340 -0.000 0.000 0.212 515 L C -0.345 176.544 176.870 0.032 0.000 1.071 515 L CA 1.894 56.771 54.840 0.061 0.000 0.751 515 L CB -1.047 41.034 42.059 0.038 0.000 0.889 515 L HN 0.173 nan 8.230 nan 0.000 0.432 516 P HA -0.178 nan 4.420 nan 0.000 0.220 516 P C 1.134 178.326 177.300 -0.180 0.000 1.148 516 P CA 1.563 64.585 63.100 -0.130 0.000 0.803 516 P CB -0.361 31.206 31.700 -0.221 0.000 0.782 517 H N -0.021 119.028 119.070 -0.034 0.000 2.457 517 H HA 0.069 4.625 4.556 -0.000 0.000 0.294 517 H C 1.288 176.559 175.328 -0.095 0.000 1.064 517 H CA 1.047 57.059 56.048 -0.059 0.000 1.330 517 H CB 0.024 29.766 29.762 -0.033 0.000 1.395 517 H HN 0.284 nan 8.280 nan 0.000 0.541 518 K N 0.738 121.174 120.400 0.060 0.000 2.372 518 K HA 0.116 4.436 4.320 -0.000 0.000 0.200 518 K C 0.177 176.830 176.600 0.089 0.000 1.022 518 K CA -0.028 56.300 56.287 0.067 0.000 1.125 518 K CB 0.832 33.409 32.500 0.128 0.000 0.855 518 K HN -0.047 nan 8.250 nan 0.000 0.524 519 T N 1.195 115.741 114.554 -0.013 0.000 2.856 519 T HA 0.306 4.656 4.350 -0.000 0.000 0.292 519 T C -0.561 174.100 174.700 -0.064 0.000 0.980 519 T CA -0.053 62.079 62.100 0.054 0.000 1.091 519 T CB 0.345 69.223 68.868 0.018 0.000 0.936 519 T HN -0.096 nan 8.240 nan 0.000 0.503 520 F N 3.170 123.135 119.950 0.025 0.000 2.427 520 F HA 0.363 4.890 4.527 -0.000 0.000 0.348 520 F C 1.512 177.341 175.800 0.047 0.000 1.125 520 F CA -1.455 56.571 58.000 0.045 0.000 0.989 520 F CB 0.625 39.648 39.000 0.039 0.000 1.165 520 F HN 0.543 nan 8.300 nan 0.000 0.442 521 I N 1.104 121.780 120.570 0.177 0.000 2.361 521 I HA 0.172 4.342 4.170 -0.000 0.000 0.251 521 I C 1.355 177.562 176.117 0.150 0.000 1.133 521 I CA 0.962 62.343 61.300 0.135 0.000 1.413 521 I CB -0.914 37.145 38.000 0.100 0.000 1.073 521 I HN 0.691 nan 8.210 nan 0.000 0.424 522 G N 1.068 109.982 108.800 0.190 0.000 2.569 522 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.259 522 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.259 522 G C 0.750 175.724 174.900 0.124 0.000 1.263 522 G CA 0.206 45.394 45.100 0.147 0.000 0.928 522 G HN 1.646 nan 8.290 nan 0.000 0.572 523 G N -1.412 107.438 108.800 0.083 0.000 2.225 523 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.267 523 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.267 523 G C 0.360 175.338 174.900 0.130 0.000 1.024 523 G CA 1.603 46.760 45.100 0.096 0.000 0.784 523 G HN 1.042 nan 8.290 nan 0.000 0.507 524 R N 1.007 121.547 120.500 0.066 0.000 2.294 524 R HA 0.453 4.793 4.340 -0.000 0.000 0.319 524 R C -2.118 174.161 176.300 -0.035 0.000 0.984 524 R CA -1.760 54.363 56.100 0.039 0.000 0.861 524 R CB 1.861 32.166 30.300 0.010 0.000 1.104 524 R HN 0.195 nan 8.270 nan 0.000 0.451 525 P HA 0.083 nan 4.420 nan 0.000 0.274 525 P C -0.891 176.359 177.300 -0.083 0.000 1.237 525 P CA -0.287 62.756 63.100 -0.095 0.000 0.793 525 P CB 1.477 33.027 31.700 -0.251 0.000 0.977 526 S N 0.376 116.068 115.700 -0.013 0.000 2.552 526 S HA 0.450 4.919 4.470 -0.000 0.000 0.272 526 S C -1.256 173.402 174.600 0.097 0.000 1.150 526 S CA -0.953 57.269 58.200 0.036 0.000 0.849 526 S CB 0.996 64.155 63.200 -0.069 0.000 1.113 526 S HN 0.383 nan 8.310 nan 0.000 0.458 527 N N 0.950 119.750 118.700 0.167 0.000 2.321 527 N HA 0.606 5.346 4.740 -0.000 0.000 0.299 527 N C -1.359 174.259 175.510 0.180 0.000 1.048 527 N CA -0.300 52.865 53.050 0.193 0.000 0.836 527 N CB 2.057 40.690 38.487 0.244 0.000 1.269 527 N HN 0.720 nan 8.380 nan 0.000 0.486 528 T N 1.994 116.629 114.554 0.136 0.000 2.770 528 T HA 0.487 4.836 4.350 -0.000 0.000 0.283 528 T C 0.050 174.906 174.700 0.261 0.000 0.988 528 T CA -0.414 61.781 62.100 0.159 0.000 0.957 528 T CB 0.643 69.535 68.868 0.040 0.000 0.930 528 T HN 0.155 nan 8.240 nan 0.000 0.443 529 L N 4.286 125.729 121.223 0.368 0.000 2.298 529 L HA 0.599 4.939 4.340 -0.000 0.000 0.284 529 L C -0.884 176.256 176.870 0.450 0.000 1.013 529 L CA -0.821 54.228 54.840 0.348 0.000 0.824 529 L CB 1.324 43.551 42.059 0.280 0.000 1.221 529 L HN 0.353 nan 8.230 nan 0.000 0.418 530 L N 5.872 127.395 121.223 0.501 0.000 2.362 530 L HA 0.684 5.024 4.340 -0.000 0.000 0.275 530 L C -0.412 176.656 176.870 0.329 0.000 0.998 530 L CA -0.298 54.819 54.840 0.463 0.000 0.820 530 L CB 1.625 44.065 42.059 0.635 0.000 1.270 530 L HN 0.467 nan 8.230 nan 0.000 0.415 531 I N 0.417 121.022 120.570 0.058 0.000 2.957 531 I HA 0.539 4.709 4.170 -0.000 0.000 0.310 531 I C 0.604 176.456 176.117 -0.442 0.000 1.063 531 I CA -0.910 60.227 61.300 -0.271 0.000 1.033 531 I CB 1.847 39.772 38.000 -0.126 0.000 1.230 531 I HN 0.638 nan 8.210 nan 0.000 0.447 532 K N 1.653 121.587 120.400 -0.778 0.000 2.062 532 K HA 0.014 4.334 4.320 -0.000 0.000 0.205 532 K C 0.299 176.808 176.600 -0.152 0.000 1.051 532 K CA 1.515 57.541 56.287 -0.436 0.000 0.941 532 K CB 0.151 32.416 32.500 -0.392 0.000 0.719 532 K HN 0.908 nan 8.250 nan 0.000 0.440 533 S N -0.762 114.861 115.700 -0.129 0.000 2.552 533 S HA 0.241 4.711 4.470 -0.000 0.000 0.272 533 S C -1.207 173.395 174.600 0.003 0.000 1.150 533 S CA -1.120 57.067 58.200 -0.023 0.000 0.849 533 S CB 1.206 64.414 63.200 0.013 0.000 1.113 533 S HN 0.067 nan 8.310 nan 0.000 0.458 534 L N 3.475 124.740 121.223 0.072 0.000 2.387 534 L HA 0.426 4.766 4.340 -0.000 0.000 0.267 534 L C 0.546 177.490 176.870 0.123 0.000 1.197 534 L CA 0.510 55.403 54.840 0.089 0.000 1.070 534 L CB -0.635 41.505 42.059 0.135 0.000 1.349 534 L HN 0.980 nan 8.230 nan 0.000 0.422 535 T N 0.757 115.301 114.554 -0.016 0.000 2.912 535 T HA 0.478 4.828 4.350 -0.000 0.000 0.280 535 T C -1.784 172.693 174.700 -0.372 0.000 0.989 535 T CA -1.817 60.121 62.100 -0.269 0.000 0.995 535 T CB 1.131 69.874 68.868 -0.207 0.000 1.077 535 T HN 0.175 nan 8.240 nan 0.000 0.531 536 P HA -0.048 nan 4.420 nan 0.000 0.216 536 P C 1.666 178.836 177.300 -0.216 0.000 1.150 536 P CA 0.844 63.713 63.100 -0.385 0.000 0.837 536 P CB 0.071 31.513 31.700 -0.429 0.000 0.786 537 R N -0.258 120.126 120.500 -0.193 0.000 2.081 537 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 537 R C 2.055 178.320 176.300 -0.057 0.000 1.131 537 R CA 1.598 57.637 56.100 -0.101 0.000 0.960 537 R CB -0.754 29.494 30.300 -0.086 0.000 0.856 537 R HN 0.066 nan 8.270 nan 0.000 0.436 538 A N 0.931 123.709 122.820 -0.071 0.000 1.898 538 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 538 A C 2.010 179.594 177.584 0.000 0.000 1.181 538 A CA 1.105 53.123 52.037 -0.033 0.000 0.620 538 A CB -0.523 18.450 19.000 -0.044 0.000 0.819 538 A HN 0.377 nan 8.150 nan 0.000 0.442 539 L N 0.095 121.305 121.223 -0.022 0.000 2.046 539 L HA -0.001 4.339 4.340 -0.000 0.000 0.208 539 L C 2.399 179.305 176.870 0.060 0.000 1.077 539 L CA 2.223 57.059 54.840 -0.007 0.000 0.747 539 L CB -0.967 41.048 42.059 -0.074 0.000 0.896 539 L HN 0.300 nan 8.230 nan 0.000 0.432 540 G N -1.088 107.764 108.800 0.086 0.000 2.442 540 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.219 540 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.219 540 G C 1.595 176.608 174.900 0.188 0.000 1.141 540 G CA 0.818 46.075 45.100 0.262 0.000 0.763 540 G HN 0.627 nan 8.290 nan 0.000 0.554 541 A N 0.754 123.629 122.820 0.092 0.000 1.873 541 A HA 0.067 4.387 4.320 -0.000 0.000 0.215 541 A C 2.405 180.044 177.584 0.091 0.000 1.186 541 A CA 1.281 53.359 52.037 0.069 0.000 0.616 541 A CB -0.345 18.680 19.000 0.042 0.000 0.823 541 A HN 0.371 nan 8.150 nan 0.000 0.442 542 I N 0.067 120.706 120.570 0.116 0.000 2.179 542 I HA -0.229 3.941 4.170 -0.000 0.000 0.242 542 I C 2.137 178.407 176.117 0.256 0.000 1.088 542 I CA 0.913 62.310 61.300 0.161 0.000 1.357 542 I CB -0.282 37.827 38.000 0.181 0.000 1.051 542 I HN 0.248 nan 8.210 nan 0.000 0.409 543 I N 1.090 121.820 120.570 0.266 0.000 2.252 543 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 543 I C 2.865 179.179 176.117 0.328 0.000 1.102 543 I CA 1.593 63.104 61.300 0.351 0.000 1.385 543 I CB -1.724 36.477 38.000 0.335 0.000 1.064 543 I HN 0.160 nan 8.210 nan 0.000 0.414 544 A N 0.678 123.622 122.820 0.206 0.000 1.933 544 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 544 A C 2.454 179.962 177.584 -0.127 0.000 1.175 544 A CA 1.783 53.787 52.037 -0.054 0.000 0.628 544 A CB -0.642 18.291 19.000 -0.112 0.000 0.814 544 A HN 0.448 nan 8.150 nan 0.000 0.444 545 M N -1.883 117.717 119.600 -0.001 0.000 2.117 545 M HA -0.184 4.296 4.480 -0.000 0.000 0.262 545 M C 1.933 178.165 176.300 -0.114 0.000 1.065 545 M CA 1.908 57.170 55.300 -0.063 0.000 1.114 545 M CB -0.257 32.272 32.600 -0.118 0.000 1.361 545 M HN 0.470 nan 8.290 nan 0.000 0.408 546 Y N 0.935 121.265 120.300 0.049 0.000 2.314 546 Y HA -0.133 4.417 4.550 -0.000 0.000 0.293 546 Y C 2.249 178.186 175.900 0.060 0.000 1.129 546 Y CA 1.592 59.731 58.100 0.064 0.000 1.201 546 Y CB -0.388 38.133 38.460 0.102 0.000 0.999 546 Y HN 0.378 nan 8.280 nan 0.000 0.541 547 E N -1.014 119.301 120.200 0.191 0.000 2.077 547 E HA -0.211 4.138 4.350 -0.000 0.000 0.193 547 E C 1.738 178.441 176.600 0.172 0.000 0.989 547 E CA 1.275 57.808 56.400 0.221 0.000 0.800 547 E CB -0.152 29.653 29.700 0.174 0.000 0.746 547 E HN 0.564 nan 8.360 nan 0.000 0.452 548 H N 0.401 119.480 119.070 0.015 0.000 2.470 548 H HA 0.011 4.567 4.556 -0.000 0.000 0.289 548 H C 1.937 177.097 175.328 -0.279 0.000 1.033 548 H CA 0.821 56.659 56.048 -0.351 0.000 1.331 548 H CB 0.008 29.132 29.762 -1.062 0.000 1.414 548 H HN 0.085 nan 8.280 nan 0.000 0.545 549 K N 1.141 121.526 120.400 -0.024 0.000 2.057 549 K HA -0.076 4.244 4.320 -0.000 0.000 0.206 549 K C 1.946 178.577 176.600 0.051 0.000 1.050 549 K CA 1.079 57.366 56.287 -0.000 0.000 0.935 549 K CB 0.018 32.527 32.500 0.015 0.000 0.715 549 K HN 0.010 nan 8.250 nan 0.000 0.439 550 V N 2.295 122.283 119.914 0.124 0.000 2.407 550 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 550 V C 2.374 178.550 176.094 0.137 0.000 1.055 550 V CA 1.593 63.973 62.300 0.132 0.000 1.049 550 V CB -0.391 31.546 31.823 0.189 0.000 0.662 550 V HN 0.400 nan 8.190 nan 0.000 0.455 551 L N -0.282 121.091 121.223 0.249 0.000 1.994 551 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 551 L C 2.419 179.434 176.870 0.242 0.000 1.071 551 L CA 1.765 56.832 54.840 0.379 0.000 0.745 551 L CB -0.203 42.205 42.059 0.581 0.000 0.892 551 L HN 0.151 nan 8.230 nan 0.000 0.431 552 V N 0.023 120.045 119.914 0.181 0.000 2.295 552 V HA -0.324 3.796 4.120 -0.000 0.000 0.246 552 V C 2.529 178.535 176.094 -0.145 0.000 1.049 552 V CA 2.147 64.494 62.300 0.078 0.000 1.024 552 V CB -0.715 31.174 31.823 0.110 0.000 0.648 552 V HN 0.555 nan 8.190 nan 0.000 0.447 553 Q N -0.026 119.623 119.800 -0.252 0.000 2.084 553 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 553 Q C 2.398 177.958 176.000 -0.734 0.000 0.978 553 Q CA 1.704 57.093 55.803 -0.691 0.000 0.844 553 Q CB -0.546 27.761 28.738 -0.719 0.000 0.898 553 Q HN 0.731 nan 8.270 nan 0.000 0.426 554 G N 0.577 109.227 108.800 -0.250 0.000 2.408 554 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.217 554 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.217 554 G C 1.463 176.288 174.900 -0.124 0.000 1.150 554 G CA 0.812 45.890 45.100 -0.037 0.000 0.776 554 G HN 0.412 nan 8.290 nan 0.000 0.542 555 A N 0.497 123.154 122.820 -0.272 0.000 1.968 555 A HA 0.180 4.500 4.320 -0.000 0.000 0.217 555 A C 2.355 179.763 177.584 -0.293 0.000 1.169 555 A CA 0.859 52.603 52.037 -0.489 0.000 0.638 555 A CB -0.240 18.331 19.000 -0.714 0.000 0.812 555 A HN 0.367 nan 8.150 nan 0.000 0.446 556 I N -1.702 118.710 120.570 -0.263 0.000 2.252 556 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 556 I C 2.135 178.207 176.117 -0.074 0.000 1.102 556 I CA 0.906 62.092 61.300 -0.191 0.000 1.385 556 I CB -0.300 37.541 38.000 -0.264 0.000 1.064 556 I HN 0.493 nan 8.210 nan 0.000 0.414 557 W N 0.773 122.050 121.300 -0.039 0.000 2.595 557 W HA 0.146 4.806 4.660 -0.000 0.000 0.257 557 W C 1.800 178.270 176.519 -0.081 0.000 1.267 557 W CA 1.100 58.409 57.345 -0.059 0.000 1.300 557 W CB -1.202 28.247 29.460 -0.018 0.000 1.120 557 W HN 0.389 nan 8.180 nan 0.000 0.618 558 G N 1.097 109.947 108.800 0.083 0.000 2.143 558 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.248 558 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.248 558 G C 0.264 175.201 174.900 0.062 0.000 0.991 558 G CA 0.314 45.427 45.100 0.021 0.000 0.689 558 G HN 0.344 nan 8.290 nan 0.000 0.522 559 I N -3.013 117.621 120.570 0.108 0.000 3.078 559 I HA 0.756 4.926 4.170 -0.000 0.000 0.318 559 I C -0.300 175.888 176.117 0.118 0.000 1.016 559 I CA -1.107 60.268 61.300 0.126 0.000 1.130 559 I CB 1.321 39.418 38.000 0.161 0.000 1.397 559 I HN -0.066 nan 8.210 nan 0.000 0.570 560 D N 1.847 122.332 120.400 0.142 0.000 2.443 560 D HA 0.243 4.883 4.640 -0.000 0.000 0.221 560 D C 0.194 176.525 176.300 0.052 0.000 1.097 560 D CA -0.210 53.892 54.000 0.169 0.000 0.865 560 D CB 1.207 42.148 40.800 0.235 0.000 1.034 560 D HN 0.569 nan 8.370 nan 0.000 0.511 561 S N 2.685 118.290 115.700 -0.159 0.000 2.607 561 S HA -0.038 4.432 4.470 -0.000 0.000 0.224 561 S C 0.457 174.702 174.600 -0.593 0.000 0.969 561 S CA 0.102 58.050 58.200 -0.419 0.000 0.927 561 S CB -0.088 62.739 63.200 -0.621 0.000 0.772 561 S HN 0.535 nan 8.310 nan 0.000 0.533 562 Y N 1.111 121.542 120.300 0.219 0.000 2.500 562 Y HA 0.266 4.816 4.550 -0.000 0.000 0.246 562 Y C 0.390 176.363 175.900 0.121 0.000 1.146 562 Y CA -1.504 56.717 58.100 0.202 0.000 1.230 562 Y CB 0.026 38.591 38.460 0.176 0.000 1.214 562 Y HN 0.234 nan 8.280 nan 0.000 0.526 563 D N -0.390 120.092 120.400 0.137 0.000 2.494 563 D HA 0.340 4.980 4.640 -0.000 0.000 0.259 563 D C -0.024 176.206 176.300 -0.117 0.000 1.109 563 D CA -0.839 53.131 54.000 -0.050 0.000 1.040 563 D CB 0.817 41.583 40.800 -0.058 0.000 1.175 563 D HN 0.020 nan 8.370 nan 0.000 0.584 564 Q N -0.489 119.117 119.800 -0.323 0.000 3.576 564 Q HA 0.126 4.466 4.340 -0.000 0.000 0.249 564 Q C -0.777 175.102 176.000 -0.202 0.000 0.771 564 Q CA -0.544 55.144 55.803 -0.192 0.000 0.897 564 Q CB -1.251 27.412 28.738 -0.125 0.000 1.551 564 Q HN 0.741 nan 8.270 nan 0.000 0.388 565 W N 0.833 122.146 121.300 0.023 0.000 2.595 565 W HA 0.127 4.787 4.660 -0.000 0.000 0.257 565 W C 1.941 178.458 176.519 -0.003 0.000 1.267 565 W CA 0.917 58.273 57.345 0.019 0.000 1.300 565 W CB 0.214 29.692 29.460 0.030 0.000 1.120 565 W HN 0.597 nan 8.180 nan 0.000 0.618 566 G N 0.486 109.374 108.800 0.147 0.000 2.625 566 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.214 566 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.214 566 G C 1.304 176.226 174.900 0.036 0.000 1.132 566 G CA 1.207 46.340 45.100 0.056 0.000 0.782 566 G HN 0.305 nan 8.290 nan 0.000 0.538 567 V N -2.452 117.484 119.914 0.037 0.000 3.506 567 V HA 0.262 4.381 4.120 -0.000 0.000 0.263 567 V C 1.944 178.062 176.094 0.041 0.000 1.203 567 V CA 1.346 63.657 62.300 0.018 0.000 1.133 567 V CB 0.275 32.091 31.823 -0.011 0.000 0.802 567 V HN 0.371 nan 8.190 nan 0.000 0.459 568 E N 0.536 120.788 120.200 0.086 0.000 2.051 568 E HA -0.226 4.124 4.350 -0.000 0.000 0.192 568 E C 2.029 178.675 176.600 0.076 0.000 0.991 568 E CA 1.729 58.192 56.400 0.104 0.000 0.799 568 E CB -0.159 29.653 29.700 0.185 0.000 0.748 568 E HN 0.554 nan 8.360 nan 0.000 0.449 569 L N 0.463 121.728 121.223 0.070 0.000 2.042 569 L HA -0.051 4.289 4.340 -0.000 0.000 0.210 569 L C 2.203 179.095 176.870 0.036 0.000 1.076 569 L CA 2.357 57.228 54.840 0.053 0.000 0.749 569 L CB -0.923 41.166 42.059 0.050 0.000 0.893 569 L HN 0.244 nan 8.230 nan 0.000 0.432 570 G N -1.039 107.776 108.800 0.026 0.000 2.422 570 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.218 570 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.218 570 G C 1.698 176.604 174.900 0.009 0.000 1.146 570 G CA 0.821 45.927 45.100 0.010 0.000 0.769 570 G HN 0.404 nan 8.290 nan 0.000 0.547 571 K N -0.120 120.290 120.400 0.017 0.000 2.057 571 K HA 0.019 4.339 4.320 -0.000 0.000 0.206 571 K C 2.589 179.203 176.600 0.022 0.000 1.050 571 K CA 1.003 57.299 56.287 0.016 0.000 0.935 571 K CB -0.251 32.263 32.500 0.023 0.000 0.715 571 K HN 0.205 nan 8.250 nan 0.000 0.439 572 V N 1.947 121.881 119.914 0.033 0.000 2.358 572 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 572 V C 2.177 178.292 176.094 0.034 0.000 1.047 572 V CA 1.526 63.847 62.300 0.036 0.000 1.035 572 V CB -0.400 31.449 31.823 0.044 0.000 0.658 572 V HN 0.285 nan 8.190 nan 0.000 0.452 573 L N -0.045 121.198 121.223 0.034 0.000 2.201 573 L HA -0.077 4.262 4.340 -0.000 0.000 0.212 573 L C 2.643 179.528 176.870 0.024 0.000 1.105 573 L CA 1.214 56.078 54.840 0.040 0.000 0.775 573 L CB -0.696 41.386 42.059 0.038 0.000 0.913 573 L HN 0.372 nan 8.230 nan 0.000 0.440 574 A N 0.200 123.024 122.820 0.005 0.000 1.929 574 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 574 A C 2.296 179.879 177.584 -0.002 0.000 1.176 574 A CA 1.209 53.238 52.037 -0.014 0.000 0.628 574 A CB -0.200 18.788 19.000 -0.020 0.000 0.816 574 A HN 0.268 nan 8.150 nan 0.000 0.444 575 K N 0.051 120.458 120.400 0.012 0.000 2.148 575 K HA -0.040 4.279 4.320 -0.000 0.000 0.204 575 K C 2.121 178.737 176.600 0.026 0.000 1.050 575 K CA 1.401 57.698 56.287 0.017 0.000 0.942 575 K CB -0.084 32.429 32.500 0.021 0.000 0.724 575 K HN 0.424 nan 8.250 nan 0.000 0.446 576 S N 0.904 116.627 115.700 0.038 0.000 2.414 576 S HA 0.041 4.511 4.470 -0.000 0.000 0.227 576 S C 1.854 176.502 174.600 0.079 0.000 1.022 576 S CA 0.671 58.906 58.200 0.058 0.000 0.958 576 S CB 0.010 63.255 63.200 0.075 0.000 0.797 576 S HN 0.196 nan 8.310 nan 0.000 0.493 577 I N 0.958 121.564 120.570 0.060 0.000 2.584 577 I HA -0.054 4.116 4.170 -0.000 0.000 0.255 577 I C 2.137 178.257 176.117 0.005 0.000 1.145 577 I CA 0.321 61.641 61.300 0.033 0.000 1.462 577 I CB -0.170 37.796 38.000 -0.058 0.000 1.102 577 I HN 0.219 nan 8.210 nan 0.000 0.433 578 L N 2.577 123.799 121.223 -0.002 0.000 2.013 578 L HA -0.148 4.192 4.340 -0.000 0.000 0.212 578 L C -0.571 176.313 176.870 0.024 0.000 1.073 578 L CA 2.492 57.333 54.840 0.000 0.000 0.753 578 L CB -1.679 40.382 42.059 0.002 0.000 0.890 578 L HN 0.102 nan 8.230 nan 0.000 0.432 579 P HA -0.100 nan 4.420 nan 0.000 0.230 579 P C 1.127 178.453 177.300 0.044 0.000 1.158 579 P CA 1.045 64.166 63.100 0.035 0.000 0.769 579 P CB -0.011 31.707 31.700 0.030 0.000 0.807 580 Q N -0.884 118.948 119.800 0.053 0.000 2.424 580 Q HA 0.102 4.442 4.340 -0.000 0.000 0.204 580 Q C 0.440 176.489 176.000 0.081 0.000 0.933 580 Q CA 0.264 56.108 55.803 0.068 0.000 0.929 580 Q CB -0.055 28.738 28.738 0.092 0.000 1.037 580 Q HN 0.328 nan 8.270 nan 0.000 0.511 581 L N 2.418 123.690 121.223 0.082 0.000 2.399 581 L HA 0.251 4.591 4.340 -0.000 0.000 0.257 581 L C -0.214 176.762 176.870 0.176 0.000 1.236 581 L CA 0.084 55.020 54.840 0.159 0.000 1.144 581 L CB -0.151 41.978 42.059 0.118 0.000 1.379 581 L HN -0.016 nan 8.230 nan 0.000 0.414 582 R N 2.065 122.645 120.500 0.133 0.000 2.621 582 R HA 0.444 4.784 4.340 -0.000 0.000 0.292 582 R C -2.594 173.734 176.300 0.046 0.000 0.969 582 R CA -2.050 54.086 56.100 0.061 0.000 0.887 582 R CB 1.839 32.156 30.300 0.028 0.000 1.180 582 R HN 0.036 nan 8.270 nan 0.000 0.450 583 P HA -0.028 nan 4.420 nan 0.000 0.260 583 P C 0.559 177.854 177.300 -0.009 0.000 1.185 583 P CA 1.133 64.216 63.100 -0.029 0.000 0.763 583 P CB 0.589 32.211 31.700 -0.129 0.000 0.776 584 G N 2.802 111.609 108.800 0.012 0.000 2.205 584 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.261 584 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.261 584 G C 0.217 175.132 174.900 0.025 0.000 0.980 584 G CA 0.162 45.270 45.100 0.013 0.000 0.632 584 G HN 0.604 nan 8.290 nan 0.000 0.533 585 M N 1.565 121.188 119.600 0.038 0.000 2.217 585 M HA 0.576 5.056 4.480 -0.000 0.000 0.354 585 M C 0.229 176.562 176.300 0.056 0.000 1.225 585 M CA -0.176 55.150 55.300 0.045 0.000 1.137 585 M CB 0.435 33.066 32.600 0.051 0.000 1.576 585 M HN 0.099 nan 8.290 nan 0.000 0.461 586 R N 4.383 124.911 120.500 0.048 0.000 2.494 586 R HA 0.601 4.941 4.340 -0.000 0.000 0.305 586 R C -0.975 175.358 176.300 0.056 0.000 0.959 586 R CA -0.657 55.474 56.100 0.051 0.000 0.864 586 R CB 1.754 32.077 30.300 0.039 0.000 1.159 586 R HN 0.745 nan 8.270 nan 0.000 0.446 587 V N 0.240 120.198 119.914 0.072 0.000 3.019 587 V HA 0.590 4.710 4.120 -0.000 0.000 0.317 587 V C 0.107 176.251 176.094 0.083 0.000 1.094 587 V CA -0.663 61.689 62.300 0.086 0.000 1.000 587 V CB 2.043 33.953 31.823 0.145 0.000 1.060 587 V HN 0.979 nan 8.190 nan 0.000 0.443 588 N N -0.232 118.507 118.700 0.065 0.000 2.039 588 N HA 0.058 4.797 4.740 -0.000 0.000 0.228 588 N C 0.703 176.218 175.510 0.009 0.000 1.369 588 N CA 0.235 53.312 53.050 0.045 0.000 0.806 588 N CB -0.350 38.152 38.487 0.025 0.000 1.190 588 N HN 0.690 nan 8.380 nan 0.000 0.506 589 N N -0.004 118.665 118.700 -0.052 0.000 2.446 589 N HA -0.087 4.653 4.740 -0.000 0.000 0.179 589 N C -0.094 175.261 175.510 -0.260 0.000 1.054 589 N CA 0.578 53.517 53.050 -0.185 0.000 0.905 589 N CB -0.313 38.011 38.487 -0.271 0.000 0.973 589 N HN 0.396 nan 8.380 nan 0.000 0.448 590 H N 0.672 119.745 119.070 0.005 0.000 2.889 590 H HA 0.180 4.736 4.556 -0.000 0.000 0.279 590 H C -0.398 174.932 175.328 0.004 0.000 1.553 590 H CA -0.553 55.497 56.048 0.003 0.000 1.593 590 H CB 0.359 30.121 29.762 0.001 0.000 1.718 590 H HN 0.209 nan 8.280 nan 0.000 0.901 591 D N -0.936 119.560 120.400 0.159 0.000 2.360 591 D HA -0.020 4.620 4.640 -0.000 0.000 0.242 591 D C 1.193 177.536 176.300 0.071 0.000 1.184 591 D CA -0.025 54.023 54.000 0.080 0.000 0.930 591 D CB 0.722 41.556 40.800 0.056 0.000 1.161 591 D HN 0.445 nan 8.370 nan 0.000 0.447 592 S N 0.315 116.042 115.700 0.045 0.000 2.419 592 S HA -0.269 4.201 4.470 -0.000 0.000 0.235 592 S C 1.890 176.507 174.600 0.027 0.000 1.019 592 S CA 1.043 59.265 58.200 0.036 0.000 0.982 592 S CB -0.640 62.576 63.200 0.026 0.000 0.789 592 S HN 0.512 nan 8.310 nan 0.000 0.490 593 S N 1.504 117.216 115.700 0.020 0.000 2.345 593 S HA -0.094 4.376 4.470 -0.000 0.000 0.219 593 S C 1.981 176.576 174.600 -0.007 0.000 1.031 593 S CA 1.722 59.926 58.200 0.007 0.000 0.984 593 S CB -1.229 61.972 63.200 0.002 0.000 0.874 593 S HN 0.680 nan 8.310 nan 0.000 0.451 594 T N 2.845 117.387 114.554 -0.020 0.000 2.788 594 T HA -0.049 4.301 4.350 -0.000 0.000 0.268 594 T C 1.743 176.396 174.700 -0.077 0.000 1.044 594 T CA 1.428 63.475 62.100 -0.087 0.000 1.139 594 T CB -0.562 68.215 68.868 -0.152 0.000 0.867 594 T HN 0.391 nan 8.240 nan 0.000 0.454 595 N N 1.147 119.853 118.700 0.011 0.000 2.084 595 N HA -0.041 4.699 4.740 -0.000 0.000 0.190 595 N C 2.245 177.776 175.510 0.036 0.000 1.030 595 N CA 1.434 54.517 53.050 0.055 0.000 0.849 595 N CB -0.960 37.577 38.487 0.084 0.000 1.012 595 N HN 0.492 nan 8.380 nan 0.000 0.423 596 G N 1.109 109.926 108.800 0.028 0.000 2.422 596 G HA2 -0.153 3.806 3.960 -0.000 0.000 0.218 596 G HA3 -0.153 3.806 3.960 -0.000 0.000 0.218 596 G C 1.709 176.628 174.900 0.032 0.000 1.146 596 G CA 0.388 45.506 45.100 0.029 0.000 0.769 596 G HN 0.223 nan 8.290 nan 0.000 0.547 597 L N -0.097 121.136 121.223 0.017 0.000 2.072 597 L HA 0.075 4.415 4.340 -0.000 0.000 0.205 597 L C 2.810 179.711 176.870 0.052 0.000 1.079 597 L CA 0.587 55.441 54.840 0.023 0.000 0.752 597 L CB -0.257 41.794 42.059 -0.014 0.000 0.906 597 L HN 0.180 nan 8.230 nan 0.000 0.436 598 I N -0.141 120.438 120.570 0.016 0.000 2.315 598 I HA -0.253 3.917 4.170 -0.000 0.000 0.248 598 I C 2.083 178.279 176.117 0.131 0.000 1.117 598 I CA 0.912 62.238 61.300 0.044 0.000 1.404 598 I CB -0.358 37.629 38.000 -0.021 0.000 1.071 598 I HN 0.321 nan 8.210 nan 0.000 0.419 599 N N 0.659 119.414 118.700 0.091 0.000 2.166 599 N HA -0.195 4.545 4.740 -0.000 0.000 0.186 599 N C 1.810 177.374 175.510 0.091 0.000 1.019 599 N CA 1.333 54.435 53.050 0.087 0.000 0.856 599 N CB -0.320 38.203 38.487 0.060 0.000 0.993 599 N HN 0.357 nan 8.380 nan 0.000 0.426 600 M N -0.791 118.866 119.600 0.094 0.000 2.175 600 M HA -0.088 4.392 4.480 -0.000 0.000 0.264 600 M C 1.861 178.221 176.300 0.100 0.000 1.063 600 M CA 1.199 56.547 55.300 0.079 0.000 1.119 600 M CB -0.092 32.550 32.600 0.070 0.000 1.377 600 M HN 0.056 nan 8.290 nan 0.000 0.415 601 F N 1.493 121.448 119.950 0.008 0.000 2.102 601 F HA -0.242 4.285 4.527 -0.000 0.000 0.298 601 F C 1.835 177.653 175.800 0.031 0.000 1.105 601 F CA 1.877 59.885 58.000 0.013 0.000 1.239 601 F CB -0.459 38.546 39.000 0.008 0.000 0.991 601 F HN 0.247 nan 8.300 nan 0.000 0.474 602 N N 0.515 119.327 118.700 0.186 0.000 2.309 602 N HA -0.182 4.558 4.740 -0.000 0.000 0.182 602 N C 1.822 177.335 175.510 0.006 0.000 1.018 602 N CA 1.222 54.330 53.050 0.097 0.000 0.876 602 N CB -0.510 38.066 38.487 0.149 0.000 0.972 602 N HN 0.567 nan 8.380 nan 0.000 0.434 603 E N 0.333 120.534 120.200 0.002 0.000 2.107 603 E HA -0.042 4.308 4.350 -0.000 0.000 0.191 603 E C 0.724 177.298 176.600 -0.042 0.000 0.982 603 E CA 0.739 57.133 56.400 -0.010 0.000 0.809 603 E CB 0.181 29.883 29.700 0.004 0.000 0.756 603 E HN 0.292 nan 8.360 nan 0.000 0.459 604 L N 0.187 121.354 121.223 -0.094 0.000 3.069 604 L HA 0.185 4.525 4.340 -0.000 0.000 0.271 604 L C 1.948 178.692 176.870 -0.210 0.000 1.201 604 L CA 0.011 54.780 54.840 -0.119 0.000 1.015 604 L CB 0.729 42.730 42.059 -0.096 0.000 1.371 604 L HN 0.024 nan 8.230 nan 0.000 0.574 605 S N -1.052 114.465 115.700 -0.305 0.000 2.356 605 S HA -0.091 4.379 4.470 -0.000 0.000 0.223 605 S C 0.773 175.181 174.600 -0.320 0.000 1.032 605 S CA 0.887 58.820 58.200 -0.446 0.000 1.005 605 S CB -0.284 62.608 63.200 -0.513 0.000 0.867 605 S HN 0.443 nan 8.310 nan 0.000 0.449 606 H N 0.000 118.974 119.070 -0.159 0.000 2.539 606 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 606 H CA 0.000 55.993 56.048 -0.092 0.000 1.023 606 H CB 0.000 29.726 29.762 -0.061 0.000 1.292 606 H HN 0.000 nan 8.280 nan 0.000 0.496