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 2x4f_1_B DATA FIRST_RESID 81 DATA SEQUENCE IPAPPAPFDH RIVTAKQGAV NSFYTVSKTE ILGGGXXGQV HKCEETATGL DATA SEQUENCE KLAAKIIKTR GMKDKEEVKN EISVMNQLDH ANLIQLYDAF ESKNDIVLVM DATA SEQUENCE EYVDGGELFD RIIDESYNLT ELDTILFMKQ ICEGIRHMHQ MYILHLDLKP DATA SEQUENCE ENILCVNRDA KQIKIIDFGL ARRYKPREKL KVNFGTPEFL APEVVNYDFV DATA SEQUENCE SFPTDMWSVG VIAYMLLSGL SPFLGDNDAE TLNNILACRW DLEDEEFQDI DATA SEQUENCE SEEAKEFISK LLIKEKSWRI SASEALKHPW LSDHKLHSRL 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 81 I HA 0.000 nan 4.170 nan 0.000 0.288 81 I C 0.000 176.091 176.117 -0.043 0.000 1.063 81 I CA 0.000 61.272 61.300 -0.047 0.000 1.566 81 I CB 0.000 37.972 38.000 -0.047 0.000 1.214 82 P HA 0.666 nan 4.420 nan 0.000 0.275 82 P C 0.465 177.740 177.300 -0.042 0.000 1.228 82 P CA 0.380 63.456 63.100 -0.039 0.000 0.786 82 P CB 1.357 33.024 31.700 -0.055 0.000 0.927 83 A N 4.706 127.507 122.820 -0.032 0.000 2.520 83 A HA 0.283 4.602 4.320 -0.001 0.000 0.235 83 A C -1.957 175.596 177.584 -0.051 0.000 1.065 83 A CA -0.665 51.356 52.037 -0.028 0.000 0.764 83 A CB -1.331 17.666 19.000 -0.005 0.000 1.002 83 A HN 0.419 nan 8.150 nan 0.000 0.502 84 P HA 0.239 nan 4.420 nan 0.000 0.271 84 P C -2.326 174.932 177.300 -0.069 0.000 1.216 84 P CA -0.894 62.175 63.100 -0.052 0.000 0.776 84 P CB -0.049 31.629 31.700 -0.038 0.000 0.881 85 P HA 0.094 nan 4.420 nan 0.000 0.273 85 P C -0.457 176.761 177.300 -0.137 0.000 1.250 85 P CA -0.263 62.766 63.100 -0.118 0.000 0.793 85 P CB 0.391 32.021 31.700 -0.117 0.000 1.011 86 A N 1.986 124.669 122.820 -0.228 0.000 2.466 86 A HA 0.249 4.568 4.320 -0.001 0.000 0.238 86 A C -1.266 176.132 177.584 -0.311 0.000 1.074 86 A CA -0.823 50.989 52.037 -0.375 0.000 0.774 86 A CB -1.094 17.401 19.000 -0.842 0.000 1.015 86 A HN 0.471 nan 8.150 nan 0.000 0.498 87 P HA 0.137 nan 4.420 nan 0.000 0.256 87 P C -0.649 176.758 177.300 0.179 0.000 1.335 87 P CA 0.495 63.618 63.100 0.038 0.000 0.808 87 P CB -0.641 31.137 31.700 0.131 0.000 1.305 88 F N -2.586 117.433 119.950 0.115 0.000 2.629 88 F HA 0.640 5.166 4.527 -0.001 0.000 0.316 88 F C -0.393 175.485 175.800 0.130 0.000 1.081 88 F CA -1.783 56.312 58.000 0.159 0.000 0.954 88 F CB 0.416 39.603 39.000 0.312 0.000 1.337 88 F HN -0.412 nan 8.300 nan 0.000 0.474 89 D N 0.112 120.679 120.400 0.277 0.000 2.341 89 D HA 0.075 4.714 4.640 -0.001 0.000 0.245 89 D C -0.438 176.017 176.300 0.258 0.000 1.106 89 D CA 0.145 54.249 54.000 0.174 0.000 0.905 89 D CB 0.509 41.395 40.800 0.144 0.000 1.202 89 D HN 0.730 nan 8.370 nan 0.000 0.426 90 H N 1.658 120.784 119.070 0.094 0.000 3.167 90 H HA -0.021 4.534 4.556 -0.001 0.000 0.306 90 H C -0.196 175.209 175.328 0.129 0.000 0.965 90 H CA 0.860 56.978 56.048 0.117 0.000 1.408 90 H CB 0.331 30.124 29.762 0.051 0.000 1.406 90 H HN 0.143 nan 8.280 nan 0.000 0.576 91 R N 4.050 124.315 120.500 -0.391 0.000 2.732 91 R HA 0.341 4.681 4.340 -0.001 0.000 0.278 91 R C -0.537 175.531 176.300 -0.387 0.000 0.976 91 R CA -1.039 54.892 56.100 -0.282 0.000 0.963 91 R CB 1.290 31.462 30.300 -0.214 0.000 1.150 91 R HN 0.537 nan 8.270 nan 0.000 0.478 92 I N 3.512 123.968 120.570 -0.189 0.000 2.269 92 I HA 0.156 4.326 4.170 -0.001 0.000 0.293 92 I C -0.124 175.911 176.117 -0.136 0.000 1.106 92 I CA -0.415 60.811 61.300 -0.122 0.000 1.248 92 I CB 0.521 38.492 38.000 -0.047 0.000 1.444 92 I HN 0.282 nan 8.210 nan 0.000 0.497 93 V N 6.393 126.218 119.914 -0.148 0.000 2.546 93 V HA 0.355 4.474 4.120 -0.001 0.000 0.284 93 V C 0.614 176.629 176.094 -0.132 0.000 1.050 93 V CA -0.101 62.102 62.300 -0.161 0.000 0.981 93 V CB 1.489 33.216 31.823 -0.161 0.000 0.990 93 V HN 0.736 nan 8.190 nan 0.000 0.474 94 T N 3.704 118.164 114.554 -0.156 0.000 2.824 94 T HA 0.604 4.953 4.350 -0.001 0.000 0.282 94 T C 0.087 174.677 174.700 -0.183 0.000 0.993 94 T CA -0.313 61.706 62.100 -0.136 0.000 0.967 94 T CB 1.599 70.398 68.868 -0.114 0.000 0.960 94 T HN 0.934 nan 8.240 nan 0.000 0.441 95 A N 3.875 126.604 122.820 -0.151 0.000 2.522 95 A HA 0.297 4.616 4.320 -0.001 0.000 0.256 95 A C 0.393 177.868 177.584 -0.183 0.000 1.086 95 A CA 0.038 51.967 52.037 -0.179 0.000 0.763 95 A CB -0.186 18.759 19.000 -0.093 0.000 1.024 95 A HN 0.771 nan 8.150 nan 0.000 0.502 96 K N 2.275 122.494 120.400 -0.302 0.000 2.185 96 K HA 0.253 4.572 4.320 -0.001 0.000 0.271 96 K C -0.240 176.353 176.600 -0.012 0.000 1.013 96 K CA -0.532 55.633 56.287 -0.204 0.000 0.943 96 K CB 0.651 32.931 32.500 -0.366 0.000 0.998 96 K HN 0.665 nan 8.250 nan 0.000 0.468 97 Q N 1.536 121.365 119.800 0.048 0.000 2.295 97 Q HA 0.388 4.728 4.340 -0.001 0.000 0.259 97 Q C 0.418 176.536 176.000 0.197 0.000 0.976 97 Q CA -0.021 55.846 55.803 0.106 0.000 0.923 97 Q CB 1.360 30.138 28.738 0.067 0.000 1.185 97 Q HN 0.917 nan 8.270 nan 0.000 0.410 98 G N 0.811 109.752 108.800 0.235 0.000 2.302 98 G HA2 0.345 4.304 3.960 -0.001 0.000 0.264 98 G HA3 0.345 4.304 3.960 -0.001 0.000 0.264 98 G C -1.808 173.226 174.900 0.224 0.000 1.335 98 G CA -0.358 44.893 45.100 0.252 0.000 0.982 98 G HN 0.684 nan 8.290 nan 0.000 0.473 99 A N -0.808 122.080 122.820 0.114 0.000 2.304 99 A HA 0.775 5.094 4.320 -0.001 0.000 0.314 99 A C 1.270 178.651 177.584 -0.337 0.000 1.187 99 A CA 0.465 52.465 52.037 -0.061 0.000 0.810 99 A CB 1.705 20.674 19.000 -0.051 0.000 1.183 99 A HN 2.135 nan 8.150 nan 0.000 0.487 100 V N 3.111 122.698 119.914 -0.544 0.000 2.453 100 V HA -0.235 3.885 4.120 -0.001 0.000 0.252 100 V C 1.963 177.901 176.094 -0.260 0.000 1.068 100 V CA 2.817 64.653 62.300 -0.774 0.000 1.070 100 V CB -0.699 30.900 31.823 -0.372 0.000 0.664 100 V HN 0.922 nan 8.190 nan 0.000 0.461 101 N N 0.583 119.176 118.700 -0.178 0.000 2.192 101 N HA -0.126 4.613 4.740 -0.001 0.000 0.188 101 N C 1.860 177.276 175.510 -0.156 0.000 1.013 101 N CA 1.874 54.854 53.050 -0.118 0.000 0.863 101 N CB -0.376 38.047 38.487 -0.107 0.000 0.990 101 N HN 0.606 nan 8.380 nan 0.000 0.430 102 S N -1.010 114.548 115.700 -0.235 0.000 2.522 102 S HA 0.099 4.568 4.470 -0.001 0.000 0.227 102 S C 0.801 174.965 174.600 -0.727 0.000 0.986 102 S CA 0.452 58.375 58.200 -0.463 0.000 0.929 102 S CB 0.026 62.894 63.200 -0.552 0.000 0.769 102 S HN 0.328 nan 8.310 nan 0.000 0.529 103 F N -1.285 118.563 119.950 -0.170 0.000 2.880 103 F HA 0.425 4.952 4.527 -0.001 0.000 0.346 103 F C -0.289 175.167 175.800 -0.574 0.000 1.054 103 F CA -0.694 57.132 58.000 -0.290 0.000 1.151 103 F CB 0.649 39.534 39.000 -0.192 0.000 1.066 103 F HN 0.015 nan 8.300 nan 0.000 0.566 104 Y N -0.481 119.840 120.300 0.035 0.000 2.524 104 Y HA 0.493 5.042 4.550 -0.001 0.000 0.347 104 Y C -0.014 175.861 175.900 -0.043 0.000 1.005 104 Y CA -1.625 56.483 58.100 0.013 0.000 1.025 104 Y CB 1.725 40.197 38.460 0.020 0.000 1.275 104 Y HN -0.337 nan 8.280 nan 0.000 0.460 105 T N 2.971 117.585 114.554 0.100 0.000 2.781 105 T HA 0.418 4.767 4.350 -0.001 0.000 0.305 105 T C -0.430 174.296 174.700 0.044 0.000 1.001 105 T CA -0.560 61.561 62.100 0.036 0.000 0.950 105 T CB 0.097 68.968 68.868 0.004 0.000 0.955 105 T HN 0.286 nan 8.240 nan 0.000 0.471 106 V N 3.401 123.323 119.914 0.013 0.000 2.432 106 V HA 0.319 4.439 4.120 -0.001 0.000 0.275 106 V C 0.819 176.913 176.094 -0.001 0.000 1.043 106 V CA -0.678 61.616 62.300 -0.010 0.000 0.925 106 V CB 1.539 33.309 31.823 -0.088 0.000 0.985 106 V HN 0.912 nan 8.190 nan 0.000 0.466 107 S N 3.745 119.475 115.700 0.049 0.000 2.531 107 S HA 0.184 4.653 4.470 -0.001 0.000 0.279 107 S C 1.012 175.722 174.600 0.184 0.000 1.305 107 S CA -0.251 57.998 58.200 0.081 0.000 1.058 107 S CB 0.388 63.623 63.200 0.058 0.000 0.899 107 S HN 0.776 nan 8.310 nan 0.000 0.493 108 K N 1.953 122.422 120.400 0.115 0.000 2.379 108 K HA 0.033 4.352 4.320 -0.001 0.000 0.194 108 K C 1.563 178.235 176.600 0.120 0.000 1.031 108 K CA 0.963 57.333 56.287 0.139 0.000 1.037 108 K CB 0.222 32.759 32.500 0.061 0.000 0.824 108 K HN 0.842 nan 8.250 nan 0.000 0.516 109 T N -3.042 111.557 114.554 0.075 0.000 2.969 109 T HA 0.140 4.489 4.350 -0.001 0.000 0.250 109 T C 0.597 175.302 174.700 0.010 0.000 1.021 109 T CA -0.274 61.847 62.100 0.035 0.000 1.003 109 T CB 0.372 69.253 68.868 0.022 0.000 1.040 109 T HN -0.085 nan 8.240 nan 0.000 0.492 110 E N 1.124 121.334 120.200 0.016 0.000 1.993 110 E HA 0.457 4.806 4.350 -0.001 0.000 0.271 110 E C -1.254 175.317 176.600 -0.048 0.000 1.008 110 E CA -0.362 56.033 56.400 -0.008 0.000 0.814 110 E CB 0.408 30.105 29.700 -0.006 0.000 1.098 110 E HN 0.494 nan 8.360 nan 0.000 0.407 111 I N 4.411 124.923 120.570 -0.097 0.000 2.354 111 I HA 0.116 4.285 4.170 -0.001 0.000 0.292 111 I C 1.045 177.117 176.117 -0.074 0.000 0.989 111 I CA -0.205 60.983 61.300 -0.187 0.000 1.188 111 I CB 1.500 39.334 38.000 -0.278 0.000 1.342 111 I HN 0.483 nan 8.210 nan 0.000 0.457 112 L N 4.819 126.017 121.223 -0.043 0.000 2.253 112 L HA 0.448 4.787 4.340 -0.001 0.000 0.205 112 L C 1.013 177.887 176.870 0.005 0.000 1.078 112 L CA 0.103 54.956 54.840 0.023 0.000 0.805 112 L CB -0.267 41.844 42.059 0.087 0.000 0.963 112 L HN 0.748 nan 8.230 nan 0.000 0.459 113 G N -1.188 107.605 108.800 -0.012 0.000 2.601 113 G HA2 0.506 4.465 3.960 -0.001 0.000 0.291 113 G HA3 0.506 4.465 3.960 -0.001 0.000 0.291 113 G C -1.203 173.692 174.900 -0.009 0.000 1.456 113 G CA -0.019 45.078 45.100 -0.006 0.000 0.804 113 G HN 0.054 nan 8.290 nan 0.000 0.499 114 G N -1.754 107.046 108.800 -0.000 0.000 2.795 114 G HA2 1.042 5.001 3.960 -0.001 0.000 0.267 114 G HA3 1.042 5.001 3.960 -0.001 0.000 0.267 114 G C 0.212 175.123 174.900 0.019 0.000 1.362 114 G CA -0.195 44.910 45.100 0.007 0.000 1.048 114 G HN 1.998 nan 8.290 nan 0.000 0.547 119 Q N 0.055 119.904 119.800 0.082 0.000 2.354 119 Q HA 0.508 4.847 4.340 -0.001 0.000 0.244 119 Q C -0.344 175.733 176.000 0.127 0.000 0.969 119 Q CA -0.121 55.733 55.803 0.085 0.000 0.885 119 Q CB 2.362 31.157 28.738 0.095 0.000 1.241 119 Q HN 0.168 nan 8.270 nan 0.000 0.461 120 V N 3.569 123.518 119.914 0.059 0.000 2.378 120 V HA 0.275 4.394 4.120 -0.001 0.000 0.288 120 V C -0.468 175.638 176.094 0.020 0.000 1.016 120 V CA -0.656 61.695 62.300 0.086 0.000 0.840 120 V CB 1.126 32.988 31.823 0.065 0.000 0.994 120 V HN 0.710 nan 8.190 nan 0.000 0.431 121 H N 2.913 122.003 119.070 0.033 0.000 2.499 121 H HA 0.413 4.968 4.556 -0.001 0.000 0.340 121 H C -0.229 175.105 175.328 0.010 0.000 1.148 121 H CA -0.833 55.227 56.048 0.020 0.000 1.215 121 H CB 2.524 32.291 29.762 0.007 0.000 1.529 121 H HN 0.516 nan 8.280 nan 0.000 0.510 122 K N 1.515 121.968 120.400 0.087 0.000 2.295 122 K HA 0.239 4.558 4.320 -0.001 0.000 0.270 122 K C -0.316 176.277 176.600 -0.010 0.000 1.011 122 K CA -0.077 56.190 56.287 -0.033 0.000 0.953 122 K CB 0.339 32.750 32.500 -0.148 0.000 0.956 122 K HN 0.692 nan 8.250 nan 0.000 0.477 123 C N 0.437 119.704 119.300 -0.055 0.000 3.316 123 C HA 0.692 5.152 4.460 -0.001 0.000 0.360 123 C C -1.391 173.597 174.990 -0.003 0.000 1.560 123 C CA -0.880 58.137 59.018 -0.002 0.000 1.229 123 C CB 1.262 29.024 27.740 0.036 0.000 1.823 123 C HN 0.983 nan 8.230 nan 0.000 0.440 124 E N 0.255 120.506 120.200 0.085 0.000 2.304 124 E HA 0.293 4.643 4.350 -0.001 0.000 0.277 124 E C -1.410 175.289 176.600 0.165 0.000 0.898 124 E CA -0.032 56.413 56.400 0.076 0.000 0.764 124 E CB 1.808 31.516 29.700 0.014 0.000 1.216 124 E HN 0.805 nan 8.360 nan 0.000 0.419 125 E N 2.793 123.074 120.200 0.135 0.000 2.328 125 E HA 0.039 4.388 4.350 -0.001 0.000 0.265 125 E C 0.304 176.850 176.600 -0.091 0.000 1.057 125 E CA 0.234 56.597 56.400 -0.061 0.000 0.916 125 E CB 0.777 30.467 29.700 -0.017 0.000 0.993 125 E HN 0.549 nan 8.360 nan 0.000 0.446 126 T N 3.800 118.266 114.554 -0.146 0.000 2.720 126 T HA -0.237 4.113 4.350 -0.001 0.000 0.268 126 T C 1.659 176.324 174.700 -0.060 0.000 1.037 126 T CA 1.509 63.557 62.100 -0.086 0.000 1.144 126 T CB -0.101 68.704 68.868 -0.105 0.000 0.864 126 T HN 0.627 nan 8.240 nan 0.000 0.444 127 A N 1.248 124.032 122.820 -0.059 0.000 1.933 127 A HA -0.110 4.209 4.320 -0.001 0.000 0.218 127 A C 2.550 180.132 177.584 -0.004 0.000 1.175 127 A CA 2.281 54.307 52.037 -0.019 0.000 0.628 127 A CB -0.786 18.219 19.000 0.008 0.000 0.814 127 A HN 0.651 nan 8.150 nan 0.000 0.444 128 T N -6.659 107.894 114.554 -0.001 0.000 2.999 128 T HA 0.444 4.793 4.350 -0.001 0.000 0.247 128 T C 1.446 176.153 174.700 0.012 0.000 1.012 128 T CA 1.141 63.252 62.100 0.018 0.000 1.048 128 T CB 0.441 69.335 68.868 0.044 0.000 1.020 128 T HN 1.722 nan 8.240 nan 0.000 0.478 129 G N 1.180 109.981 108.800 0.002 0.000 2.179 129 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.220 129 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.220 129 G C -0.156 174.746 174.900 0.003 0.000 0.990 129 G CA -0.043 45.058 45.100 0.001 0.000 0.646 129 G HN 0.733 nan 8.290 nan 0.000 0.517 130 L N 1.600 122.823 121.223 0.000 0.000 2.499 130 L HA 0.509 4.849 4.340 -0.001 0.000 0.273 130 L C 0.661 177.516 176.870 -0.025 0.000 1.195 130 L CA 0.307 55.139 54.840 -0.014 0.000 0.882 130 L CB 0.345 42.367 42.059 -0.062 0.000 1.133 130 L HN 0.193 nan 8.230 nan 0.000 0.483 131 K N 5.777 126.171 120.400 -0.009 0.000 2.258 131 K HA 0.545 4.864 4.320 -0.001 0.000 0.284 131 K C -0.835 175.764 176.600 -0.002 0.000 1.051 131 K CA -0.181 56.082 56.287 -0.040 0.000 0.923 131 K CB 0.768 33.232 32.500 -0.060 0.000 1.046 131 K HN 0.520 nan 8.250 nan 0.000 0.474 132 L N 1.018 122.219 121.223 -0.037 0.000 2.194 132 L HA 0.728 5.067 4.340 -0.001 0.000 0.248 132 L C -0.887 176.019 176.870 0.060 0.000 1.071 132 L CA -1.209 53.652 54.840 0.035 0.000 0.901 132 L CB 1.818 43.836 42.059 -0.068 0.000 1.497 132 L HN 0.586 nan 8.230 nan 0.000 0.442 133 A N 0.210 123.105 122.820 0.125 0.000 2.355 133 A HA 0.881 5.200 4.320 -0.001 0.000 0.317 133 A C -0.990 176.640 177.584 0.076 0.000 1.094 133 A CA -0.437 51.681 52.037 0.135 0.000 0.764 133 A CB 1.496 20.629 19.000 0.221 0.000 1.230 133 A HN 0.638 nan 8.150 nan 0.000 0.448 134 A N 2.411 125.275 122.820 0.073 0.000 2.285 134 A HA 0.612 4.931 4.320 -0.001 0.000 0.310 134 A C -0.183 177.458 177.584 0.095 0.000 1.266 134 A CA -0.529 51.534 52.037 0.044 0.000 0.832 134 A CB 0.430 19.430 19.000 -0.001 0.000 1.163 134 A HN 0.710 nan 8.150 nan 0.000 0.499 135 K N 3.664 124.114 120.400 0.084 0.000 2.268 135 K HA 0.449 4.768 4.320 -0.001 0.000 0.276 135 K C -1.245 175.405 176.600 0.083 0.000 1.080 135 K CA -0.459 55.885 56.287 0.095 0.000 0.910 135 K CB 0.285 32.837 32.500 0.086 0.000 1.163 135 K HN 0.630 nan 8.250 nan 0.000 0.465 136 I N 6.537 127.163 120.570 0.094 0.000 2.308 136 I HA 0.167 4.336 4.170 -0.001 0.000 0.293 136 I C 0.018 176.175 176.117 0.066 0.000 1.078 136 I CA 0.001 61.342 61.300 0.069 0.000 1.292 136 I CB 0.636 38.669 38.000 0.054 0.000 1.423 136 I HN 0.415 nan 8.210 nan 0.000 0.493 137 I N 6.857 127.461 120.570 0.058 0.000 2.297 137 I HA 0.280 4.449 4.170 -0.001 0.000 0.291 137 I C 0.797 176.940 176.117 0.044 0.000 1.033 137 I CA -0.599 60.731 61.300 0.051 0.000 1.253 137 I CB 0.499 38.529 38.000 0.049 0.000 1.396 137 I HN 0.593 nan 8.210 nan 0.000 0.476 138 K N 3.862 124.286 120.400 0.041 0.000 2.326 138 K HA 0.486 4.805 4.320 -0.001 0.000 0.275 138 K C 0.218 176.836 176.600 0.031 0.000 1.018 138 K CA -0.348 55.960 56.287 0.035 0.000 0.962 138 K CB 0.310 32.830 32.500 0.033 0.000 0.953 138 K HN 0.727 nan 8.250 nan 0.000 0.475 139 T N -1.754 112.817 114.554 0.028 0.000 2.965 139 T HA 0.563 4.912 4.350 -0.001 0.000 0.306 139 T C 1.114 175.827 174.700 0.021 0.000 0.991 139 T CA 0.053 62.168 62.100 0.025 0.000 1.001 139 T CB 1.494 70.377 68.868 0.025 0.000 0.984 139 T HN 0.878 nan 8.240 nan 0.000 0.446 140 R N 2.924 123.436 120.500 0.019 0.000 2.062 140 R HA 0.590 4.930 4.340 -0.001 0.000 0.231 140 R C 1.263 177.572 176.300 0.014 0.000 1.136 140 R CA 1.215 57.325 56.100 0.016 0.000 0.948 140 R CB -1.130 29.179 30.300 0.015 0.000 0.845 140 R HN 1.157 nan 8.270 nan 0.000 0.430 141 G N -3.472 105.336 108.800 0.013 0.000 3.105 141 G HA2 0.390 4.349 3.960 -0.001 0.000 0.277 141 G HA3 0.390 4.349 3.960 -0.001 0.000 0.277 141 G C 0.795 175.702 174.900 0.011 0.000 1.375 141 G CA 0.335 45.442 45.100 0.011 0.000 0.962 141 G HN 0.276 nan 8.290 nan 0.000 0.541 142 M N 0.156 119.761 119.600 0.009 0.000 2.108 142 M HA 0.007 4.487 4.480 -0.001 0.000 0.261 142 M C 3.167 179.470 176.300 0.006 0.000 1.066 142 M CA 2.898 58.202 55.300 0.007 0.000 1.107 142 M CB -1.447 31.156 32.600 0.005 0.000 1.356 142 M HN 0.970 nan 8.290 nan 0.000 0.406 143 K N -0.691 119.713 120.400 0.006 0.000 2.097 143 K HA -0.212 4.108 4.320 -0.001 0.000 0.206 143 K C 1.703 178.307 176.600 0.008 0.000 1.049 143 K CA 2.163 58.453 56.287 0.005 0.000 0.933 143 K CB -1.593 30.910 32.500 0.005 0.000 0.717 143 K HN 0.725 nan 8.250 nan 0.000 0.442 144 D N 0.199 120.605 120.400 0.011 0.000 2.144 144 D HA -0.085 4.554 4.640 -0.001 0.000 0.199 144 D C 1.892 178.201 176.300 0.015 0.000 0.984 144 D CA 1.152 55.161 54.000 0.014 0.000 0.834 144 D CB 0.075 40.885 40.800 0.017 0.000 0.955 144 D HN 0.543 nan 8.370 nan 0.000 0.465 145 K N 0.378 120.786 120.400 0.013 0.000 2.097 145 K HA -0.076 4.243 4.320 -0.001 0.000 0.205 145 K C 1.849 178.454 176.600 0.009 0.000 1.050 145 K CA 0.660 56.955 56.287 0.013 0.000 0.938 145 K CB 0.092 32.599 32.500 0.013 0.000 0.718 145 K HN 0.032 nan 8.250 nan 0.000 0.442 146 E N 1.250 121.453 120.200 0.006 0.000 2.204 146 E HA -0.159 4.190 4.350 -0.001 0.000 0.194 146 E C 1.740 178.341 176.600 0.002 0.000 0.989 146 E CA 1.080 57.481 56.400 0.001 0.000 0.824 146 E CB 0.028 29.727 29.700 -0.001 0.000 0.756 146 E HN 0.388 nan 8.360 nan 0.000 0.477 147 E N 0.020 120.224 120.200 0.007 0.000 2.072 147 E HA -0.094 4.255 4.350 -0.001 0.000 0.190 147 E C 2.154 178.762 176.600 0.014 0.000 0.982 147 E CA 0.960 57.365 56.400 0.009 0.000 0.803 147 E CB 0.148 29.855 29.700 0.011 0.000 0.755 147 E HN 0.035 nan 8.360 nan 0.000 0.453 148 V N 1.515 121.439 119.914 0.017 0.000 2.358 148 V HA -0.235 3.884 4.120 -0.001 0.000 0.246 148 V C 2.077 178.181 176.094 0.016 0.000 1.047 148 V CA 1.626 63.940 62.300 0.023 0.000 1.035 148 V CB -0.387 31.451 31.823 0.026 0.000 0.658 148 V HN 0.154 nan 8.190 nan 0.000 0.452 149 K N 0.474 120.878 120.400 0.006 0.000 2.103 149 K HA -0.228 4.091 4.320 -0.001 0.000 0.207 149 K C 2.159 178.757 176.600 -0.003 0.000 1.048 149 K CA 1.671 57.957 56.287 -0.003 0.000 0.930 149 K CB -0.360 32.135 32.500 -0.008 0.000 0.716 149 K HN 0.535 nan 8.250 nan 0.000 0.444 150 N N 1.250 119.951 118.700 0.001 0.000 2.188 150 N HA -0.214 4.525 4.740 -0.001 0.000 0.184 150 N C 1.752 177.267 175.510 0.008 0.000 1.018 150 N CA 1.056 54.106 53.050 -0.000 0.000 0.858 150 N CB 0.149 38.634 38.487 -0.003 0.000 0.989 150 N HN 0.278 nan 8.380 nan 0.000 0.426 151 E N 0.549 120.761 120.200 0.021 0.000 2.058 151 E HA -0.161 4.188 4.350 -0.001 0.000 0.194 151 E C 2.177 178.797 176.600 0.032 0.000 0.997 151 E CA 1.030 57.455 56.400 0.043 0.000 0.801 151 E CB -0.019 29.720 29.700 0.065 0.000 0.746 151 E HN 0.409 nan 8.360 nan 0.000 0.450 152 I N 0.452 121.033 120.570 0.019 0.000 2.099 152 I HA -0.319 3.850 4.170 -0.001 0.000 0.239 152 I C 2.748 178.861 176.117 -0.007 0.000 1.066 152 I CA 1.436 62.738 61.300 0.003 0.000 1.324 152 I CB -0.507 37.483 38.000 -0.016 0.000 1.037 152 I HN 0.155 nan 8.210 nan 0.000 0.401 153 S N 0.294 115.989 115.700 -0.008 0.000 2.402 153 S HA -0.172 4.297 4.470 -0.001 0.000 0.233 153 S C 2.031 176.630 174.600 -0.002 0.000 1.030 153 S CA 1.740 59.937 58.200 -0.006 0.000 1.003 153 S CB -0.376 62.819 63.200 -0.007 0.000 0.813 153 S HN 0.248 nan 8.310 nan 0.000 0.477 154 V N 2.002 121.908 119.914 -0.014 0.000 2.283 154 V HA -0.125 3.994 4.120 -0.001 0.000 0.243 154 V C 2.538 178.578 176.094 -0.091 0.000 1.039 154 V CA 2.128 64.404 62.300 -0.040 0.000 1.016 154 V CB -0.617 31.180 31.823 -0.044 0.000 0.650 154 V HN 0.544 nan 8.190 nan 0.000 0.449 155 M N 0.212 119.744 119.600 -0.113 0.000 2.106 155 M HA -0.233 4.246 4.480 -0.001 0.000 0.259 155 M C 2.011 178.352 176.300 0.068 0.000 1.068 155 M CA 1.776 57.005 55.300 -0.118 0.000 1.100 155 M CB -0.858 31.721 32.600 -0.036 0.000 1.351 155 M HN 0.351 nan 8.290 nan 0.000 0.404 156 N N 0.657 119.398 118.700 0.069 0.000 2.334 156 N HA -0.177 4.562 4.740 -0.001 0.000 0.187 156 N C 1.167 176.845 175.510 0.280 0.000 1.016 156 N CA 1.206 54.343 53.050 0.146 0.000 0.879 156 N CB -0.229 38.290 38.487 0.052 0.000 0.965 156 N HN 0.584 nan 8.380 nan 0.000 0.438 157 Q N -0.596 119.279 119.800 0.124 0.000 2.282 157 Q HA 0.270 4.609 4.340 -0.001 0.000 0.206 157 Q C -0.385 175.621 176.000 0.009 0.000 0.878 157 Q CA 0.009 55.852 55.803 0.068 0.000 0.944 157 Q CB 0.738 29.505 28.738 0.047 0.000 1.100 157 Q HN 0.228 nan 8.270 nan 0.000 0.509 158 L N 1.529 122.741 121.223 -0.017 0.000 2.324 158 L HA 0.387 4.726 4.340 -0.001 0.000 0.274 158 L C -0.889 175.886 176.870 -0.159 0.000 1.012 158 L CA -0.683 54.137 54.840 -0.033 0.000 0.859 158 L CB 1.106 43.093 42.059 -0.121 0.000 1.224 158 L HN -0.119 nan 8.230 nan 0.000 0.429 159 D N 3.101 123.350 120.400 -0.252 0.000 2.464 159 D HA 0.330 4.969 4.640 -0.001 0.000 0.243 159 D C -1.030 175.129 176.300 -0.235 0.000 1.104 159 D CA 0.071 53.857 54.000 -0.357 0.000 0.883 159 D CB 0.593 41.062 40.800 -0.551 0.000 1.050 159 D HN 0.411 nan 8.370 nan 0.000 0.524 160 H N 2.055 120.953 119.070 -0.286 0.000 3.121 160 H HA 0.352 4.907 4.556 -0.001 0.000 0.337 160 H C -0.374 174.856 175.328 -0.163 0.000 1.198 160 H CA -0.195 55.646 56.048 -0.346 0.000 1.274 160 H CB 1.937 31.322 29.762 -0.628 0.000 1.954 160 H HN 0.268 nan 8.280 nan 0.000 0.531 161 A N 2.949 125.532 122.820 -0.395 0.000 2.121 161 A HA -0.137 4.182 4.320 -0.001 0.000 0.218 161 A C 1.130 178.730 177.584 0.027 0.000 1.154 161 A CA 1.320 53.255 52.037 -0.171 0.000 0.679 161 A CB -0.130 18.730 19.000 -0.233 0.000 0.795 161 A HN 0.630 nan 8.150 nan 0.000 0.458 162 N N -0.551 118.316 118.700 0.277 0.000 2.280 162 N HA 0.226 4.965 4.740 -0.001 0.000 0.192 162 N C -0.561 175.068 175.510 0.199 0.000 1.109 162 N CA 0.316 53.504 53.050 0.231 0.000 0.855 162 N CB 0.253 38.880 38.487 0.233 0.000 0.974 162 N HN 0.418 nan 8.380 nan 0.000 0.482 163 L N 0.767 122.127 121.223 0.227 0.000 2.349 163 L HA 0.472 4.811 4.340 -0.001 0.000 0.278 163 L C -0.110 176.922 176.870 0.270 0.000 0.996 163 L CA -1.070 53.951 54.840 0.303 0.000 0.825 163 L CB 2.056 44.286 42.059 0.285 0.000 1.243 163 L HN -0.144 nan 8.230 nan 0.000 0.412 164 I N 3.048 123.818 120.570 0.332 0.000 2.815 164 I HA -0.043 4.127 4.170 -0.001 0.000 0.291 164 I C 0.091 176.382 176.117 0.291 0.000 1.209 164 I CA 0.668 62.126 61.300 0.263 0.000 1.431 164 I CB 0.355 38.496 38.000 0.237 0.000 1.351 164 I HN 0.547 nan 8.210 nan 0.000 0.585 165 Q N 6.360 126.308 119.800 0.246 0.000 2.256 165 Q HA 0.348 4.687 4.340 -0.001 0.000 0.257 165 Q C -0.922 175.323 176.000 0.408 0.000 0.936 165 Q CA -1.013 54.968 55.803 0.297 0.000 0.903 165 Q CB 1.882 30.729 28.738 0.182 0.000 1.263 165 Q HN 0.528 nan 8.270 nan 0.000 0.440 166 L N 2.289 123.695 121.223 0.306 0.000 2.349 166 L HA 0.080 4.420 4.340 -0.001 0.000 0.275 166 L C 0.084 177.095 176.870 0.234 0.000 1.115 166 L CA 0.520 55.493 54.840 0.220 0.000 0.820 166 L CB 0.390 42.503 42.059 0.091 0.000 1.135 166 L HN 0.658 nan 8.230 nan 0.000 0.445 167 Y N 1.858 122.128 120.300 -0.050 0.000 2.609 167 Y HA 0.332 4.881 4.550 -0.001 0.000 0.281 167 Y C 0.229 176.001 175.900 -0.214 0.000 1.132 167 Y CA 0.154 58.068 58.100 -0.309 0.000 1.264 167 Y CB 0.736 38.864 38.460 -0.553 0.000 1.325 167 Y HN 0.711 nan 8.280 nan 0.000 0.514 168 D N -0.801 119.547 120.400 -0.087 0.000 2.671 168 D HA 0.631 5.271 4.640 -0.001 0.000 0.273 168 D C -1.817 174.369 176.300 -0.189 0.000 1.264 168 D CA 0.058 53.940 54.000 -0.196 0.000 0.788 168 D CB 1.958 42.731 40.800 -0.044 0.000 1.324 168 D HN 0.175 nan 8.370 nan 0.000 0.424 169 A N 0.633 123.215 122.820 -0.396 0.000 2.589 169 A HA 0.726 5.046 4.320 -0.001 0.000 0.296 169 A C -1.907 175.337 177.584 -0.566 0.000 1.062 169 A CA -0.579 51.292 52.037 -0.277 0.000 0.686 169 A CB 0.902 19.807 19.000 -0.159 0.000 1.282 169 A HN 0.281 nan 8.150 nan 0.000 0.404 170 F N 0.477 120.417 119.950 -0.016 0.000 2.561 170 F HA 0.530 5.056 4.527 -0.001 0.000 0.313 170 F C 0.170 175.977 175.800 0.012 0.000 1.126 170 F CA -0.250 57.756 58.000 0.010 0.000 0.918 170 F CB 2.413 41.440 39.000 0.046 0.000 1.199 170 F HN 0.700 nan 8.300 nan 0.000 0.444 171 E N 2.138 122.434 120.200 0.161 0.000 2.175 171 E HA 0.666 5.016 4.350 -0.001 0.000 0.278 171 E C -1.051 175.616 176.600 0.112 0.000 0.969 171 E CA -0.220 56.242 56.400 0.103 0.000 0.796 171 E CB 1.292 31.023 29.700 0.052 0.000 1.104 171 E HN 0.673 nan 8.360 nan 0.000 0.395 172 S N 2.160 117.911 115.700 0.085 0.000 2.745 172 S HA 0.398 4.867 4.470 -0.001 0.000 0.306 172 S C 1.035 175.663 174.600 0.046 0.000 1.137 172 S CA -0.156 58.084 58.200 0.066 0.000 0.900 172 S CB 1.399 64.634 63.200 0.057 0.000 1.176 172 S HN 0.606 nan 8.310 nan 0.000 0.520 173 K N 0.728 121.149 120.400 0.036 0.000 2.103 173 K HA -0.068 4.252 4.320 -0.001 0.000 0.207 173 K C 0.962 177.577 176.600 0.026 0.000 1.048 173 K CA 2.303 58.607 56.287 0.028 0.000 0.930 173 K CB -0.892 31.622 32.500 0.022 0.000 0.716 173 K HN 0.619 nan 8.250 nan 0.000 0.444 174 N N 0.338 119.054 118.700 0.027 0.000 2.177 174 N HA 0.197 4.936 4.740 -0.001 0.000 0.218 174 N C -1.173 174.354 175.510 0.029 0.000 1.182 174 N CA 0.320 53.384 53.050 0.025 0.000 0.882 174 N CB 0.763 39.262 38.487 0.021 0.000 1.052 174 N HN 0.805 nan 8.380 nan 0.000 0.519 175 D N -1.384 119.037 120.400 0.035 0.000 2.694 175 D HA 0.317 4.956 4.640 -0.001 0.000 0.260 175 D C -1.325 175.006 176.300 0.052 0.000 1.250 175 D CA -0.630 53.395 54.000 0.040 0.000 0.763 175 D CB 1.100 41.923 40.800 0.038 0.000 1.311 175 D HN -0.179 nan 8.370 nan 0.000 0.420 176 I N 0.495 121.098 120.570 0.054 0.000 2.509 176 I HA 0.499 4.668 4.170 -0.001 0.000 0.293 176 I C -0.801 175.361 176.117 0.076 0.000 1.020 176 I CA -1.314 60.026 61.300 0.067 0.000 1.088 176 I CB 2.170 40.199 38.000 0.048 0.000 1.267 176 I HN 0.279 nan 8.210 nan 0.000 0.430 177 V N 6.922 126.902 119.914 0.109 0.000 2.398 177 V HA 0.433 4.552 4.120 -0.001 0.000 0.286 177 V C -0.081 176.075 176.094 0.103 0.000 1.026 177 V CA -0.567 61.796 62.300 0.104 0.000 0.868 177 V CB 1.596 33.485 31.823 0.110 0.000 0.982 177 V HN 0.437 nan 8.190 nan 0.000 0.443 178 L N 5.343 126.608 121.223 0.071 0.000 2.295 178 L HA 0.622 4.961 4.340 -0.001 0.000 0.285 178 L C -0.468 176.427 176.870 0.040 0.000 1.035 178 L CA -0.764 54.108 54.840 0.055 0.000 0.806 178 L CB 1.706 43.805 42.059 0.067 0.000 1.214 178 L HN 0.317 nan 8.230 nan 0.000 0.426 179 V N 4.457 124.374 119.914 0.005 0.000 2.370 179 V HA 0.494 4.613 4.120 -0.001 0.000 0.279 179 V C 0.237 176.372 176.094 0.068 0.000 1.029 179 V CA -0.149 62.126 62.300 -0.042 0.000 0.870 179 V CB 1.450 33.130 31.823 -0.237 0.000 0.984 179 V HN 0.750 nan 8.190 nan 0.000 0.451 180 M N 2.286 121.951 119.600 0.107 0.000 2.691 180 M HA 0.459 4.938 4.480 -0.001 0.000 0.293 180 M C -0.013 176.442 176.300 0.259 0.000 1.259 180 M CA -0.717 54.710 55.300 0.212 0.000 0.827 180 M CB 2.261 34.981 32.600 0.200 0.000 1.753 180 M HN 0.717 nan 8.290 nan 0.000 0.465 181 E N 1.210 121.661 120.200 0.418 0.000 2.568 181 E HA -0.131 4.219 4.350 -0.001 0.000 0.262 181 E C -1.829 174.935 176.600 0.273 0.000 0.961 181 E CA 0.426 57.066 56.400 0.401 0.000 0.945 181 E CB 0.521 30.385 29.700 0.274 0.000 0.924 181 E HN 0.464 nan 8.360 nan 0.000 0.467 182 Y N 4.280 124.655 120.300 0.126 0.000 2.341 182 Y HA 0.397 4.946 4.550 -0.001 0.000 0.337 182 Y C -1.144 174.794 175.900 0.063 0.000 1.014 182 Y CA -0.866 57.281 58.100 0.078 0.000 1.111 182 Y CB 1.216 39.710 38.460 0.056 0.000 1.194 182 Y HN 0.246 nan 8.280 nan 0.000 0.462 183 V N 6.503 126.009 119.914 -0.680 0.000 2.328 183 V HA 0.145 4.264 4.120 -0.001 0.000 0.278 183 V C -0.494 175.055 176.094 -0.908 0.000 1.021 183 V CA -0.850 61.118 62.300 -0.553 0.000 0.838 183 V CB 0.963 32.627 31.823 -0.266 0.000 0.999 183 V HN 0.762 nan 8.190 nan 0.000 0.447 184 D N 4.121 124.134 120.400 -0.646 0.000 2.425 184 D HA 0.398 5.037 4.640 -0.001 0.000 0.247 184 D C 1.168 177.375 176.300 -0.156 0.000 1.147 184 D CA 1.564 55.370 54.000 -0.323 0.000 0.879 184 D CB 1.065 41.884 40.800 0.031 0.000 1.179 184 D HN 0.950 nan 8.370 nan 0.000 0.456 185 G N 2.822 111.580 108.800 -0.070 0.000 2.221 185 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.265 185 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.265 185 G C 0.646 175.511 174.900 -0.058 0.000 1.041 185 G CA 0.043 45.123 45.100 -0.033 0.000 0.807 185 G HN 0.802 nan 8.290 nan 0.000 0.502 186 G N -0.826 107.917 108.800 -0.096 0.000 2.491 186 G HA2 0.490 4.450 3.960 -0.001 0.000 0.242 186 G HA3 0.490 4.450 3.960 -0.001 0.000 0.242 186 G C -0.183 174.690 174.900 -0.045 0.000 1.266 186 G CA 0.210 45.265 45.100 -0.075 0.000 0.844 186 G HN 0.515 nan 8.290 nan 0.000 0.571 187 E N 1.000 121.172 120.200 -0.046 0.000 2.224 187 E HA 0.343 4.692 4.350 -0.001 0.000 0.265 187 E C -0.038 176.524 176.600 -0.063 0.000 0.878 187 E CA -0.638 55.725 56.400 -0.060 0.000 0.759 187 E CB 1.436 31.084 29.700 -0.087 0.000 1.164 187 E HN 0.357 nan 8.360 nan 0.000 0.414 188 L N 4.276 125.471 121.223 -0.047 0.000 2.467 188 L HA 0.092 4.432 4.340 -0.001 0.000 0.270 188 L C 0.989 177.830 176.870 -0.048 0.000 1.205 188 L CA 0.188 55.016 54.840 -0.020 0.000 0.828 188 L CB 0.350 42.401 42.059 -0.013 0.000 1.101 188 L HN 0.821 nan 8.230 nan 0.000 0.479 189 F N 0.889 120.752 119.950 -0.145 0.000 2.293 189 F HA -0.207 4.319 4.527 -0.001 0.000 0.300 189 F C 2.013 177.735 175.800 -0.131 0.000 1.086 189 F CA 1.347 59.237 58.000 -0.183 0.000 1.375 189 F CB 0.039 38.911 39.000 -0.214 0.000 1.045 189 F HN 0.717 nan 8.300 nan 0.000 0.516 190 D N -0.857 119.555 120.400 0.019 0.000 2.117 190 D HA -0.192 4.448 4.640 -0.001 0.000 0.197 190 D C 2.335 178.610 176.300 -0.043 0.000 0.987 190 D CA 1.013 55.022 54.000 0.016 0.000 0.829 190 D CB -1.073 39.749 40.800 0.037 0.000 0.961 190 D HN -0.007 nan 8.370 nan 0.000 0.460 191 R N -0.376 120.076 120.500 -0.079 0.000 2.083 191 R HA -0.071 4.268 4.340 -0.001 0.000 0.237 191 R C 2.444 178.634 176.300 -0.184 0.000 1.137 191 R CA 1.063 57.101 56.100 -0.103 0.000 0.951 191 R CB -1.269 28.972 30.300 -0.097 0.000 0.851 191 R HN 0.342 nan 8.270 nan 0.000 0.434 192 I N 0.478 120.849 120.570 -0.332 0.000 2.286 192 I HA -0.117 4.052 4.170 -0.001 0.000 0.248 192 I C 2.282 178.198 176.117 -0.335 0.000 1.115 192 I CA 1.324 62.337 61.300 -0.479 0.000 1.392 192 I CB -0.383 36.987 38.000 -1.050 0.000 1.065 192 I HN 0.268 nan 8.210 nan 0.000 0.418 193 I N -0.100 120.337 120.570 -0.222 0.000 2.252 193 I HA -0.265 3.905 4.170 -0.001 0.000 0.245 193 I C 1.974 178.065 176.117 -0.044 0.000 1.102 193 I CA 1.097 62.352 61.300 -0.074 0.000 1.385 193 I CB -0.500 37.525 38.000 0.042 0.000 1.064 193 I HN 0.182 nan 8.210 nan 0.000 0.414 194 D N 1.085 121.465 120.400 -0.033 0.000 2.158 194 D HA -0.202 4.437 4.640 -0.001 0.000 0.197 194 D C 1.303 177.607 176.300 0.007 0.000 0.995 194 D CA 1.380 55.389 54.000 0.015 0.000 0.846 194 D CB -0.219 40.593 40.800 0.021 0.000 0.941 194 D HN 0.454 nan 8.370 nan 0.000 0.456 195 E N -0.022 120.080 120.200 -0.163 0.000 2.349 195 E HA 0.052 4.402 4.350 -0.001 0.000 0.201 195 E C 1.404 177.607 176.600 -0.661 0.000 1.087 195 E CA -0.184 55.903 56.400 -0.521 0.000 1.128 195 E CB 0.313 29.739 29.700 -0.457 0.000 1.188 195 E HN 0.140 nan 8.360 nan 0.000 0.445 196 S N 0.212 115.736 115.700 -0.293 0.000 2.440 196 S HA -0.270 4.200 4.470 -0.001 0.000 0.238 196 S C 1.948 176.446 174.600 -0.171 0.000 1.010 196 S CA 0.954 59.048 58.200 -0.177 0.000 0.972 196 S CB -0.691 62.478 63.200 -0.051 0.000 0.774 196 S HN 0.628 nan 8.310 nan 0.000 0.501 197 Y N 3.403 123.686 120.300 -0.029 0.000 2.569 197 Y HA 0.087 4.637 4.550 -0.000 0.000 0.293 197 Y C 1.660 177.547 175.900 -0.021 0.000 1.144 197 Y CA 0.636 58.718 58.100 -0.030 0.000 1.321 197 Y CB -1.263 37.179 38.460 -0.030 0.000 0.982 197 Y HN 0.484 nan 8.280 nan 0.000 0.558 198 N N 0.805 119.285 118.700 -0.366 0.000 2.280 198 N HA 0.066 4.805 4.740 -0.001 0.000 0.192 198 N C -0.425 175.026 175.510 -0.099 0.000 1.109 198 N CA 0.032 52.981 53.050 -0.168 0.000 0.855 198 N CB -0.370 37.986 38.487 -0.217 0.000 0.974 198 N HN 0.418 nan 8.380 nan 0.000 0.482 199 L N 1.139 122.309 121.223 -0.088 0.000 2.312 199 L HA 0.375 4.715 4.340 -0.001 0.000 0.281 199 L C 0.838 177.702 176.870 -0.011 0.000 1.070 199 L CA -0.881 53.940 54.840 -0.031 0.000 0.805 199 L CB 1.313 43.378 42.059 0.010 0.000 1.174 199 L HN 0.111 nan 8.230 nan 0.000 0.434 200 T N -2.266 112.279 114.554 -0.016 0.000 2.788 200 T HA 0.083 4.432 4.350 -0.001 0.000 0.280 200 T C 0.902 175.609 174.700 0.012 0.000 0.984 200 T CA -0.470 61.626 62.100 -0.006 0.000 0.972 200 T CB 1.311 70.164 68.868 -0.025 0.000 1.039 200 T HN 0.768 nan 8.240 nan 0.000 0.530 201 E N -0.508 119.713 120.200 0.036 0.000 2.106 201 E HA -0.121 4.228 4.350 -0.001 0.000 0.192 201 E C 1.893 178.497 176.600 0.008 0.000 0.984 201 E CA 0.590 57.044 56.400 0.091 0.000 0.806 201 E CB -0.162 29.630 29.700 0.154 0.000 0.750 201 E HN 0.564 nan 8.360 nan 0.000 0.458 202 L N 1.705 122.891 121.223 -0.062 0.000 2.046 202 L HA -0.175 4.165 4.340 -0.001 0.000 0.208 202 L C 1.527 178.261 176.870 -0.226 0.000 1.077 202 L CA 1.952 56.683 54.840 -0.181 0.000 0.747 202 L CB -0.493 41.472 42.059 -0.156 0.000 0.896 202 L HN 0.102 nan 8.230 nan 0.000 0.432 203 D N -1.151 119.151 120.400 -0.163 0.000 2.158 203 D HA -0.188 4.452 4.640 -0.001 0.000 0.197 203 D C 2.039 178.239 176.300 -0.168 0.000 0.995 203 D CA 1.843 55.714 54.000 -0.216 0.000 0.846 203 D CB -0.227 40.496 40.800 -0.129 0.000 0.941 203 D HN 0.368 nan 8.370 nan 0.000 0.456 204 T N 0.678 115.219 114.554 -0.021 0.000 2.812 204 T HA -0.001 4.349 4.350 -0.001 0.000 0.264 204 T C 2.221 176.858 174.700 -0.105 0.000 1.042 204 T CA 0.275 62.444 62.100 0.115 0.000 1.140 204 T CB -0.082 68.912 68.868 0.209 0.000 0.870 204 T HN 0.122 nan 8.240 nan 0.000 0.445 205 I N 1.034 121.363 120.570 -0.400 0.000 2.127 205 I HA -0.200 3.970 4.170 -0.001 0.000 0.241 205 I C 2.270 178.081 176.117 -0.510 0.000 1.075 205 I CA 1.408 62.228 61.300 -0.800 0.000 1.334 205 I CB -0.445 37.003 38.000 -0.921 0.000 1.040 205 I HN 0.207 nan 8.210 nan 0.000 0.405 206 L N -0.605 120.372 121.223 -0.409 0.000 2.042 206 L HA -0.242 4.097 4.340 -0.001 0.000 0.210 206 L C 2.589 179.344 176.870 -0.191 0.000 1.076 206 L CA 1.391 56.033 54.840 -0.330 0.000 0.749 206 L CB -0.704 41.129 42.059 -0.376 0.000 0.893 206 L HN 0.140 nan 8.230 nan 0.000 0.432 207 F N -0.589 119.303 119.950 -0.097 0.000 2.134 207 F HA -0.216 4.311 4.527 -0.001 0.000 0.299 207 F C 2.569 178.335 175.800 -0.057 0.000 1.097 207 F CA 1.143 59.144 58.000 0.002 0.000 1.264 207 F CB -0.494 38.609 39.000 0.171 0.000 1.001 207 F HN 0.025 nan 8.300 nan 0.000 0.479 208 M N -0.063 119.583 119.600 0.077 0.000 2.132 208 M HA -0.182 4.297 4.480 -0.001 0.000 0.263 208 M C 2.093 178.366 176.300 -0.044 0.000 1.065 208 M CA 1.431 56.726 55.300 -0.008 0.000 1.122 208 M CB -1.228 31.318 32.600 -0.090 0.000 1.365 208 M HN 0.078 nan 8.290 nan 0.000 0.411 209 K N -0.202 120.129 120.400 -0.116 0.000 2.089 209 K HA -0.218 4.102 4.320 -0.001 0.000 0.210 209 K C 2.129 178.722 176.600 -0.012 0.000 1.048 209 K CA 1.361 57.607 56.287 -0.069 0.000 0.926 209 K CB -0.099 32.341 32.500 -0.101 0.000 0.714 209 K HN 0.396 nan 8.250 nan 0.000 0.448 210 Q N 0.345 120.149 119.800 0.007 0.000 2.046 210 Q HA -0.101 4.238 4.340 -0.001 0.000 0.200 210 Q C 2.294 178.300 176.000 0.010 0.000 0.975 210 Q CA 1.287 57.112 55.803 0.037 0.000 0.836 210 Q CB -0.213 28.575 28.738 0.083 0.000 0.896 210 Q HN 0.396 nan 8.270 nan 0.000 0.428 211 I N 0.290 120.846 120.570 -0.023 0.000 2.163 211 I HA -0.336 3.834 4.170 -0.001 0.000 0.243 211 I C 2.542 178.624 176.117 -0.058 0.000 1.085 211 I CA 0.938 62.187 61.300 -0.085 0.000 1.347 211 I CB -0.360 37.548 38.000 -0.152 0.000 1.044 211 I HN 0.185 nan 8.210 nan 0.000 0.408 212 C N 0.176 119.469 119.300 -0.012 0.000 2.446 212 C HA -0.114 4.346 4.460 -0.001 0.000 0.277 212 C C 2.766 177.738 174.990 -0.031 0.000 1.275 212 C CA 0.487 59.506 59.018 0.002 0.000 1.727 212 C CB -0.908 26.878 27.740 0.076 0.000 2.010 212 C HN 0.472 nan 8.230 nan 0.000 0.486 213 E N 0.756 120.947 120.200 -0.015 0.000 2.070 213 E HA -0.141 4.209 4.350 -0.001 0.000 0.197 213 E C 2.334 178.843 176.600 -0.152 0.000 1.004 213 E CA 1.831 58.219 56.400 -0.020 0.000 0.805 213 E CB -0.832 28.908 29.700 0.067 0.000 0.744 213 E HN 0.692 nan 8.360 nan 0.000 0.451 214 G N 1.490 110.201 108.800 -0.148 0.000 2.459 214 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.217 214 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.217 214 G C 1.623 176.429 174.900 -0.157 0.000 1.183 214 G CA 0.834 45.808 45.100 -0.209 0.000 0.776 214 G HN 0.173 nan 8.290 nan 0.000 0.552 215 I N 0.919 121.402 120.570 -0.145 0.000 2.226 215 I HA -0.106 4.064 4.170 -0.001 0.000 0.245 215 I C 2.653 178.558 176.117 -0.353 0.000 1.100 215 I CA 1.093 62.248 61.300 -0.242 0.000 1.374 215 I CB -1.008 36.840 38.000 -0.252 0.000 1.057 215 I HN 0.216 nan 8.210 nan 0.000 0.413 216 R N 0.062 120.431 120.500 -0.218 0.000 2.105 216 R HA -0.256 4.083 4.340 -0.001 0.000 0.239 216 R C 2.439 178.663 176.300 -0.127 0.000 1.135 216 R CA 1.949 57.955 56.100 -0.157 0.000 0.967 216 R CB -0.413 29.847 30.300 -0.066 0.000 0.861 216 R HN 0.428 nan 8.270 nan 0.000 0.442 217 H N 0.121 119.063 119.070 -0.213 0.000 2.326 217 H HA -0.043 4.513 4.556 -0.001 0.000 0.301 217 H C 2.184 177.453 175.328 -0.098 0.000 1.081 217 H CA 2.409 58.345 56.048 -0.187 0.000 1.334 217 H CB -0.122 29.408 29.762 -0.386 0.000 1.385 217 H HN 0.109 nan 8.280 nan 0.000 0.504 218 M N -0.559 119.034 119.600 -0.012 0.000 2.106 218 M HA -0.247 4.233 4.480 -0.001 0.000 0.259 218 M C 2.073 178.468 176.300 0.159 0.000 1.068 218 M CA 2.110 57.459 55.300 0.081 0.000 1.100 218 M CB -0.516 32.181 32.600 0.160 0.000 1.351 218 M HN 0.569 nan 8.290 nan 0.000 0.404 219 H N -0.828 118.245 119.070 0.006 0.000 2.428 219 H HA -0.084 4.471 4.556 -0.001 0.000 0.296 219 H C 2.261 177.402 175.328 -0.312 0.000 1.062 219 H CA 0.437 56.467 56.048 -0.029 0.000 1.350 219 H CB 0.111 29.825 29.762 -0.081 0.000 1.403 219 H HN 0.389 nan 8.280 nan 0.000 0.533 220 Q N 0.227 119.905 119.800 -0.203 0.000 2.135 220 Q HA -0.118 4.221 4.340 -0.001 0.000 0.204 220 Q C 1.713 177.516 176.000 -0.329 0.000 0.981 220 Q CA 0.949 56.556 55.803 -0.327 0.000 0.856 220 Q CB -0.000 28.549 28.738 -0.314 0.000 0.902 220 Q HN 0.515 nan 8.270 nan 0.000 0.425 221 M N -1.013 118.449 119.600 -0.231 0.000 2.568 221 M HA 0.031 4.511 4.480 -0.001 0.000 0.226 221 M C -0.425 175.981 176.300 0.177 0.000 1.148 221 M CA -0.064 55.203 55.300 -0.054 0.000 1.007 221 M CB -0.646 31.908 32.600 -0.076 0.000 1.651 221 M HN 0.142 nan 8.290 nan 0.000 0.488 222 Y N -0.581 119.811 120.300 0.153 0.000 3.689 222 Y HA -0.219 4.331 4.550 -0.001 0.000 0.221 222 Y C -0.050 176.032 175.900 0.302 0.000 1.247 222 Y CA 0.184 58.479 58.100 0.325 0.000 1.671 222 Y CB -2.328 36.281 38.460 0.248 0.000 1.521 222 Y HN 0.251 nan 8.280 nan 0.000 0.632 223 I N 1.011 121.805 120.570 0.374 0.000 2.465 223 I HA 0.379 4.548 4.170 -0.001 0.000 0.291 223 I C -0.150 176.145 176.117 0.295 0.000 1.014 223 I CA -0.840 60.613 61.300 0.254 0.000 1.093 223 I CB 1.509 39.611 38.000 0.168 0.000 1.267 223 I HN -0.056 nan 8.210 nan 0.000 0.431 224 L N 5.110 126.428 121.223 0.158 0.000 2.307 224 L HA 0.343 4.682 4.340 -0.001 0.000 0.282 224 L C 1.197 178.192 176.870 0.208 0.000 1.051 224 L CA -0.576 54.358 54.840 0.156 0.000 0.804 224 L CB 1.256 43.306 42.059 -0.016 0.000 1.197 224 L HN 0.682 nan 8.230 nan 0.000 0.431 225 H N 4.398 123.597 119.070 0.214 0.000 2.294 225 H HA 0.025 4.580 4.556 -0.001 0.000 0.306 225 H C 1.524 176.927 175.328 0.125 0.000 1.065 225 H CA 1.711 57.875 56.048 0.193 0.000 1.343 225 H CB 0.437 30.298 29.762 0.164 0.000 1.396 225 H HN 0.640 nan 8.280 nan 0.000 0.506 226 L N -0.288 121.108 121.223 0.288 0.000 5.044 226 L HA -0.250 4.090 4.340 -0.001 0.000 0.412 226 L C -0.227 176.761 176.870 0.197 0.000 0.971 226 L CA 1.105 56.049 54.840 0.174 0.000 1.411 226 L CB -1.187 40.916 42.059 0.073 0.000 1.884 226 L HN 0.337 nan 8.230 nan 0.000 0.631 227 D N -0.090 120.542 120.400 0.386 0.000 2.914 227 D HA 0.258 4.897 4.640 -0.001 0.000 0.349 227 D C -0.310 176.087 176.300 0.162 0.000 1.540 227 D CA -0.364 53.779 54.000 0.237 0.000 0.778 227 D CB 0.491 41.380 40.800 0.149 0.000 1.213 227 D HN 0.088 nan 8.370 nan 0.000 0.451 228 L N 2.383 123.629 121.223 0.039 0.000 2.456 228 L HA 0.306 4.645 4.340 -0.001 0.000 0.277 228 L C -0.109 176.637 176.870 -0.207 0.000 1.124 228 L CA 0.732 55.423 54.840 -0.249 0.000 0.880 228 L CB -0.334 41.574 42.059 -0.252 0.000 1.192 228 L HN 0.115 nan 8.230 nan 0.000 0.463 229 K N 3.457 123.665 120.400 -0.321 0.000 2.555 229 K HA 0.553 4.872 4.320 -0.001 0.000 0.279 229 K C -2.745 173.602 176.600 -0.423 0.000 0.986 229 K CA -1.717 54.248 56.287 -0.536 0.000 0.880 229 K CB 0.918 32.863 32.500 -0.925 0.000 1.474 229 K HN -0.045 nan 8.250 nan 0.000 0.433 230 P HA -0.284 nan 4.420 nan 0.000 0.215 230 P C 0.853 178.091 177.300 -0.104 0.000 1.157 230 P CA 1.820 64.836 63.100 -0.140 0.000 0.874 230 P CB -0.020 31.674 31.700 -0.011 0.000 0.790 231 E N -1.226 118.885 120.200 -0.150 0.000 2.472 231 E HA -0.129 4.220 4.350 -0.001 0.000 0.200 231 E C 0.781 177.326 176.600 -0.091 0.000 1.046 231 E CA 0.680 57.029 56.400 -0.084 0.000 0.871 231 E CB -0.821 28.841 29.700 -0.063 0.000 0.806 231 E HN 0.215 nan 8.360 nan 0.000 0.533 232 N N 0.490 119.106 118.700 -0.141 0.000 2.235 232 N HA 0.255 4.995 4.740 -0.001 0.000 0.209 232 N C -0.609 174.799 175.510 -0.170 0.000 1.122 232 N CA 0.199 53.163 53.050 -0.142 0.000 0.845 232 N CB 0.734 39.141 38.487 -0.133 0.000 1.004 232 N HN 0.227 nan 8.380 nan 0.000 0.499 233 I N 0.968 121.453 120.570 -0.141 0.000 2.499 233 I HA 0.251 4.421 4.170 -0.001 0.000 0.288 233 I C -1.022 175.097 176.117 0.003 0.000 1.048 233 I CA -0.913 60.296 61.300 -0.152 0.000 1.062 233 I CB 2.443 40.218 38.000 -0.375 0.000 1.238 233 I HN -0.241 nan 8.210 nan 0.000 0.426 234 L N 6.886 128.114 121.223 0.008 0.000 2.295 234 L HA 0.479 4.818 4.340 -0.001 0.000 0.285 234 L C -0.415 176.513 176.870 0.097 0.000 1.035 234 L CA -0.170 54.697 54.840 0.045 0.000 0.806 234 L CB 1.366 43.425 42.059 0.000 0.000 1.214 234 L HN 0.771 nan 8.230 nan 0.000 0.426 235 C N 5.658 125.013 119.300 0.092 0.000 2.349 235 C HA 0.343 4.802 4.460 -0.001 0.000 0.348 235 C C 1.600 176.621 174.990 0.051 0.000 1.223 235 C CA -0.541 58.524 59.018 0.079 0.000 1.746 235 C CB -0.534 27.129 27.740 -0.129 0.000 2.360 235 C HN 0.832 nan 8.230 nan 0.000 0.533 236 V N 5.318 125.279 119.914 0.080 0.000 2.283 236 V HA 0.007 4.127 4.120 -0.001 0.000 0.243 236 V C 1.225 177.335 176.094 0.026 0.000 1.039 236 V CA 1.622 63.938 62.300 0.028 0.000 1.016 236 V CB -0.417 31.422 31.823 0.027 0.000 0.650 236 V HN 0.923 nan 8.190 nan 0.000 0.449 237 N N -1.040 117.700 118.700 0.067 0.000 2.454 237 N HA 0.228 4.968 4.740 -0.001 0.000 0.291 237 N C 0.473 176.038 175.510 0.091 0.000 1.079 237 N CA -0.531 52.547 53.050 0.047 0.000 0.893 237 N CB 1.947 40.442 38.487 0.015 0.000 1.512 237 N HN -0.089 nan 8.380 nan 0.000 0.497 238 R N 2.305 122.850 120.500 0.075 0.000 2.081 238 R HA -0.051 4.289 4.340 -0.001 0.000 0.235 238 R C 0.920 177.216 176.300 -0.006 0.000 1.131 238 R CA 1.784 57.949 56.100 0.108 0.000 0.960 238 R CB -0.034 30.294 30.300 0.047 0.000 0.856 238 R HN 0.605 nan 8.270 nan 0.000 0.436 239 D N -0.427 119.953 120.400 -0.033 0.000 2.103 239 D HA -0.045 4.594 4.640 -0.001 0.000 0.199 239 D C 1.532 177.767 176.300 -0.109 0.000 0.978 239 D CA 1.680 55.636 54.000 -0.073 0.000 0.829 239 D CB -0.274 40.496 40.800 -0.050 0.000 0.981 239 D HN 0.333 nan 8.370 nan 0.000 0.464 240 A N 0.050 122.822 122.820 -0.080 0.000 2.168 240 A HA -0.059 4.260 4.320 -0.001 0.000 0.215 240 A C 0.822 178.321 177.584 -0.141 0.000 1.152 240 A CA 0.628 52.612 52.037 -0.089 0.000 0.716 240 A CB -0.312 18.659 19.000 -0.048 0.000 0.794 240 A HN 0.218 nan 8.150 nan 0.000 0.465 241 K N -0.788 119.493 120.400 -0.198 0.000 3.244 241 K HA -0.165 4.154 4.320 -0.001 0.000 0.270 241 K C -0.609 175.970 176.600 -0.036 0.000 1.016 241 K CA 0.883 56.922 56.287 -0.413 0.000 0.754 241 K CB -1.626 30.449 32.500 -0.709 0.000 1.326 241 K HN 0.802 nan 8.250 nan 0.000 0.465 242 Q N 0.356 120.244 119.800 0.147 0.000 2.274 242 Q HA 0.694 5.033 4.340 -0.001 0.000 0.260 242 Q C -0.174 175.965 176.000 0.232 0.000 0.974 242 Q CA -1.089 54.802 55.803 0.147 0.000 0.876 242 Q CB 1.534 30.309 28.738 0.061 0.000 1.297 242 Q HN 0.404 nan 8.270 nan 0.000 0.446 243 I N -2.076 118.598 120.570 0.173 0.000 2.934 243 I HA 0.641 4.810 4.170 -0.001 0.000 0.306 243 I C -1.418 174.737 176.117 0.063 0.000 1.110 243 I CA -0.771 60.608 61.300 0.132 0.000 1.019 243 I CB 2.238 40.293 38.000 0.092 0.000 1.227 243 I HN 0.312 nan 8.210 nan 0.000 0.434 244 K N 4.506 124.926 120.400 0.033 0.000 2.565 244 K HA 0.569 4.889 4.320 -0.001 0.000 0.249 244 K C -1.347 175.245 176.600 -0.014 0.000 0.958 244 K CA -0.542 55.763 56.287 0.030 0.000 0.806 244 K CB 2.078 34.601 32.500 0.038 0.000 1.194 244 K HN 0.619 nan 8.250 nan 0.000 0.434 245 I N 5.155 125.715 120.570 -0.017 0.000 2.598 245 I HA -0.040 4.129 4.170 -0.001 0.000 0.284 245 I C 1.053 177.091 176.117 -0.133 0.000 1.140 245 I CA 0.209 61.441 61.300 -0.113 0.000 1.420 245 I CB 0.253 38.199 38.000 -0.090 0.000 1.387 245 I HN 0.603 nan 8.210 nan 0.000 0.553 246 I N 1.439 121.890 120.570 -0.199 0.000 4.154 246 I HA 0.379 4.549 4.170 -0.001 0.000 0.334 246 I C 0.137 176.136 176.117 -0.197 0.000 1.371 246 I CA 0.223 61.450 61.300 -0.122 0.000 1.110 246 I CB 0.094 38.071 38.000 -0.038 0.000 1.085 246 I HN 0.436 nan 8.210 nan 0.000 0.398 247 D N 0.564 120.702 120.400 -0.437 0.000 2.857 247 D HA 0.355 4.994 4.640 -0.001 0.000 0.227 247 D C -1.318 174.564 176.300 -0.696 0.000 1.192 247 D CA -0.427 53.362 54.000 -0.352 0.000 0.857 247 D CB 1.947 42.664 40.800 -0.138 0.000 1.645 247 D HN 0.021 nan 8.370 nan 0.000 0.482 248 F N 1.334 121.276 119.950 -0.014 0.000 2.733 248 F HA 0.298 4.825 4.527 -0.001 0.000 0.380 248 F C 1.632 177.354 175.800 -0.130 0.000 1.324 248 F CA -0.625 57.280 58.000 -0.157 0.000 1.178 248 F CB 1.363 40.318 39.000 -0.074 0.000 1.093 248 F HN 0.511 nan 8.300 nan 0.000 0.512 249 G N 0.208 109.004 108.800 -0.006 0.000 2.448 249 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.219 249 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.219 249 G C 1.333 176.232 174.900 -0.002 0.000 1.127 249 G CA 0.812 45.920 45.100 0.014 0.000 0.766 249 G HN 0.411 nan 8.290 nan 0.000 0.552 250 L N 0.069 121.267 121.223 -0.041 0.000 2.731 250 L HA 0.395 4.734 4.340 -0.001 0.000 0.240 250 L C 1.588 178.435 176.870 -0.038 0.000 1.120 250 L CA -0.368 54.455 54.840 -0.029 0.000 0.913 250 L CB 0.212 42.263 42.059 -0.013 0.000 1.213 250 L HN 0.177 nan 8.230 nan 0.000 0.515 251 A N 2.127 124.906 122.820 -0.067 0.000 2.483 251 A HA 0.415 4.735 4.320 -0.001 0.000 0.238 251 A C 0.305 177.893 177.584 0.008 0.000 1.070 251 A CA 0.295 52.315 52.037 -0.029 0.000 0.770 251 A CB 0.132 19.151 19.000 0.033 0.000 1.008 251 A HN 0.493 nan 8.150 nan 0.000 0.497 252 R N 0.825 121.337 120.500 0.019 0.000 2.690 252 R HA 0.555 4.894 4.340 -0.001 0.000 0.269 252 R C -0.886 175.430 176.300 0.026 0.000 1.037 252 R CA -1.100 55.005 56.100 0.008 0.000 0.877 252 R CB 0.795 31.084 30.300 -0.018 0.000 1.255 252 R HN 0.605 nan 8.270 nan 0.000 0.467 253 R N 1.589 122.102 120.500 0.022 0.000 2.537 253 R HA 0.050 4.390 4.340 -0.001 0.000 0.280 253 R C -0.981 175.330 176.300 0.019 0.000 1.058 253 R CA -0.130 56.005 56.100 0.058 0.000 1.057 253 R CB -0.020 30.299 30.300 0.033 0.000 0.973 253 R HN 0.630 nan 8.270 nan 0.000 0.438 254 Y N 4.975 125.260 120.300 -0.025 0.000 2.511 254 Y HA 0.161 4.710 4.550 -0.001 0.000 0.332 254 Y C -0.471 175.372 175.900 -0.094 0.000 1.177 254 Y CA 0.488 58.510 58.100 -0.129 0.000 1.422 254 Y CB 0.434 38.789 38.460 -0.175 0.000 1.271 254 Y HN 0.678 nan 8.280 nan 0.000 0.550 255 K N 5.838 125.486 120.400 -1.253 0.000 2.556 255 K HA 0.607 4.926 4.320 -0.001 0.000 0.274 255 K C -3.375 172.548 176.600 -1.128 0.000 0.966 255 K CA -2.211 53.385 56.287 -1.151 0.000 0.865 255 K CB 1.839 34.041 32.500 -0.496 0.000 1.444 255 K HN 0.278 nan 8.250 nan 0.000 0.433 256 P HA 0.057 nan 4.420 nan 0.000 0.269 256 P C -0.911 176.070 177.300 -0.532 0.000 1.215 256 P CA -0.040 62.798 63.100 -0.436 0.000 0.780 256 P CB 0.268 31.814 31.700 -0.257 0.000 0.898 257 R N -1.550 118.467 120.500 -0.804 0.000 3.423 257 R HA -0.216 4.124 4.340 -0.001 0.000 0.271 257 R C -0.241 175.646 176.300 -0.690 0.000 1.093 257 R CA 0.280 55.504 56.100 -1.459 0.000 0.730 257 R CB -2.330 27.388 30.300 -0.970 0.000 1.190 257 R HN 0.465 nan 8.270 nan 0.000 0.437 258 E N 2.167 122.162 120.200 -0.343 0.000 2.089 258 E HA 0.240 4.589 4.350 -0.001 0.000 0.284 258 E C -0.618 176.091 176.600 0.181 0.000 1.023 258 E CA -0.352 56.000 56.400 -0.081 0.000 0.819 258 E CB 0.819 30.440 29.700 -0.133 0.000 1.076 258 E HN 0.173 nan 8.360 nan 0.000 0.396 259 K N 5.081 125.606 120.400 0.209 0.000 2.274 259 K HA 0.375 4.694 4.320 -0.001 0.000 0.262 259 K C -0.851 175.792 176.600 0.072 0.000 0.961 259 K CA -0.635 55.776 56.287 0.207 0.000 0.833 259 K CB 0.675 33.340 32.500 0.276 0.000 1.102 259 K HN 0.512 nan 8.250 nan 0.000 0.436 260 L N 3.819 125.040 121.223 -0.003 0.000 2.357 260 L HA 0.375 4.715 4.340 -0.001 0.000 0.273 260 L C 0.195 177.011 176.870 -0.090 0.000 1.080 260 L CA -0.799 54.014 54.840 -0.046 0.000 0.803 260 L CB 1.140 43.157 42.059 -0.069 0.000 1.174 260 L HN 0.521 nan 8.230 nan 0.000 0.443 261 K N 1.699 122.077 120.400 -0.038 0.000 2.298 261 K HA 0.481 4.800 4.320 -0.001 0.000 0.280 261 K C -0.766 175.788 176.600 -0.078 0.000 1.032 261 K CA -0.195 56.079 56.287 -0.022 0.000 0.958 261 K CB 1.804 34.315 32.500 0.018 0.000 0.978 261 K HN 0.289 nan 8.250 nan 0.000 0.472 262 V N 2.865 122.707 119.914 -0.119 0.000 3.087 262 V HA 0.376 4.495 4.120 -0.001 0.000 0.306 262 V C -1.650 174.392 176.094 -0.087 0.000 1.187 262 V CA -0.814 61.423 62.300 -0.105 0.000 0.999 262 V CB 2.269 33.995 31.823 -0.161 0.000 1.049 262 V HN 0.986 nan 8.190 nan 0.000 0.431 263 N N 4.128 122.826 118.700 -0.004 0.000 2.284 263 N HA 0.335 5.074 4.740 -0.001 0.000 0.300 263 N C -0.765 174.860 175.510 0.192 0.000 1.047 263 N CA -0.413 52.636 53.050 -0.003 0.000 0.821 263 N CB 1.764 40.265 38.487 0.024 0.000 1.337 263 N HN 0.498 nan 8.380 nan 0.000 0.482 264 F N 0.921 120.891 119.950 0.034 0.000 2.773 264 F HA 0.317 4.843 4.527 -0.001 0.000 0.304 264 F C 1.707 177.522 175.800 0.026 0.000 1.129 264 F CA -0.811 57.204 58.000 0.025 0.000 1.378 264 F CB -0.589 38.429 39.000 0.030 0.000 1.095 264 F HN 0.521 nan 8.300 nan 0.000 0.565 265 G N 0.243 109.157 108.800 0.189 0.000 2.334 265 G HA2 0.253 4.212 3.960 -0.001 0.000 0.261 265 G HA3 0.253 4.212 3.960 -0.001 0.000 0.261 265 G C 0.422 175.388 174.900 0.110 0.000 1.257 265 G CA -0.013 45.160 45.100 0.122 0.000 0.935 265 G HN 0.244 nan 8.290 nan 0.000 0.480 266 T N 3.085 117.688 114.554 0.082 0.000 3.429 266 T HA -0.136 4.213 4.350 -0.001 0.000 0.417 266 T C -1.532 173.206 174.700 0.062 0.000 0.767 266 T CA 0.685 62.824 62.100 0.065 0.000 2.141 266 T CB -0.639 68.281 68.868 0.087 0.000 1.699 266 T HN 0.665 nan 8.240 nan 0.000 0.685 267 P HA 0.142 nan 4.420 nan 0.000 0.263 267 P C 1.214 178.473 177.300 -0.069 0.000 1.448 267 P CA -0.062 63.032 63.100 -0.010 0.000 0.983 267 P CB 0.225 31.866 31.700 -0.099 0.000 1.481 268 E N -0.465 119.646 120.200 -0.149 0.000 2.267 268 E HA -0.161 4.188 4.350 -0.001 0.000 0.197 268 E C 0.496 176.902 176.600 -0.322 0.000 0.998 268 E CA 1.024 57.255 56.400 -0.282 0.000 0.830 268 E CB -0.741 28.683 29.700 -0.460 0.000 0.751 268 E HN 0.195 nan 8.360 nan 0.000 0.491 269 F N 1.220 121.230 119.950 0.100 0.000 2.749 269 F HA 0.295 4.821 4.527 -0.001 0.000 0.300 269 F C 0.884 176.758 175.800 0.123 0.000 1.103 269 F CA -0.299 57.780 58.000 0.131 0.000 1.342 269 F CB 0.173 39.231 39.000 0.097 0.000 1.098 269 F HN -0.140 nan 8.300 nan 0.000 0.586 270 L N 0.883 122.196 121.223 0.150 0.000 2.453 270 L HA 0.288 4.628 4.340 -0.001 0.000 0.272 270 L C 0.740 177.495 176.870 -0.193 0.000 1.182 270 L CA -0.653 54.185 54.840 -0.003 0.000 0.858 270 L CB 0.172 42.182 42.059 -0.081 0.000 1.120 270 L HN 0.030 nan 8.230 nan 0.000 0.474 271 A N 5.736 128.342 122.820 -0.356 0.000 2.351 271 A HA 0.415 4.734 4.320 -0.001 0.000 0.257 271 A C -1.382 175.724 177.584 -0.796 0.000 1.087 271 A CA -1.286 50.177 52.037 -0.956 0.000 0.798 271 A CB 0.152 18.789 19.000 -0.604 0.000 1.033 271 A HN 0.635 nan 8.150 nan 0.000 0.488 272 P HA -0.205 nan 4.420 nan 0.000 0.217 272 P C 1.021 178.101 177.300 -0.367 0.000 1.150 272 P CA 1.577 64.305 63.100 -0.620 0.000 0.832 272 P CB 0.017 31.346 31.700 -0.618 0.000 0.787 273 E N 0.271 120.273 120.200 -0.329 0.000 2.265 273 E HA -0.077 4.272 4.350 -0.001 0.000 0.196 273 E C 1.793 178.288 176.600 -0.176 0.000 0.996 273 E CA 1.008 57.292 56.400 -0.193 0.000 0.832 273 E CB -1.227 28.393 29.700 -0.133 0.000 0.756 273 E HN 0.134 nan 8.360 nan 0.000 0.491 274 V N 1.271 121.056 119.914 -0.216 0.000 2.446 274 V HA -0.150 3.970 4.120 -0.001 0.000 0.244 274 V C 2.640 178.622 176.094 -0.187 0.000 1.039 274 V CA 1.055 63.239 62.300 -0.193 0.000 1.045 274 V CB -0.120 31.610 31.823 -0.155 0.000 0.681 274 V HN 0.087 nan 8.190 nan 0.000 0.459 275 V N 0.809 120.623 119.914 -0.166 0.000 2.332 275 V HA -0.271 3.848 4.120 -0.001 0.000 0.248 275 V C 1.987 178.152 176.094 0.118 0.000 1.055 275 V CA 2.321 64.574 62.300 -0.078 0.000 1.038 275 V CB -0.829 30.794 31.823 -0.332 0.000 0.651 275 V HN 0.671 nan 8.190 nan 0.000 0.450 276 N N -0.834 117.874 118.700 0.013 0.000 2.370 276 N HA -0.079 4.660 4.740 -0.001 0.000 0.198 276 N C -0.353 175.270 175.510 0.189 0.000 1.156 276 N CA -0.148 52.961 53.050 0.098 0.000 0.839 276 N CB 0.037 38.518 38.487 -0.010 0.000 0.989 276 N HN 0.534 nan 8.380 nan 0.000 0.468 277 Y N 0.204 120.486 120.300 -0.030 0.000 3.108 277 Y HA -0.283 4.266 4.550 -0.001 0.000 0.208 277 Y C -0.017 175.776 175.900 -0.178 0.000 1.245 277 Y CA 0.566 58.623 58.100 -0.072 0.000 1.171 277 Y CB -1.791 36.630 38.460 -0.064 0.000 1.331 277 Y HN 0.305 nan 8.280 nan 0.000 0.534 278 D N -0.764 119.565 120.400 -0.119 0.000 2.326 278 D HA 0.498 5.137 4.640 -0.001 0.000 0.248 278 D C -0.196 175.990 176.300 -0.190 0.000 1.001 278 D CA -0.621 53.211 54.000 -0.280 0.000 0.961 278 D CB 0.608 41.298 40.800 -0.184 0.000 1.183 278 D HN -0.139 nan 8.370 nan 0.000 0.502 279 F N 0.741 120.687 119.950 -0.007 0.000 2.563 279 F HA 0.188 4.714 4.527 -0.001 0.000 0.363 279 F C 0.779 176.563 175.800 -0.027 0.000 1.123 279 F CA -0.717 57.272 58.000 -0.018 0.000 1.307 279 F CB 0.218 39.213 39.000 -0.009 0.000 1.115 279 F HN 0.050 nan 8.300 nan 0.000 0.592 280 V N -0.176 119.842 119.914 0.174 0.000 2.837 280 V HA 0.880 4.999 4.120 -0.001 0.000 0.310 280 V C -0.069 176.062 176.094 0.061 0.000 1.059 280 V CA -0.444 61.897 62.300 0.068 0.000 1.004 280 V CB 1.446 33.283 31.823 0.023 0.000 1.045 280 V HN 0.826 nan 8.190 nan 0.000 0.465 281 S N 0.497 116.203 115.700 0.010 0.000 2.724 281 S HA 0.530 5.000 4.470 -0.001 0.000 0.278 281 S C 0.251 174.739 174.600 -0.186 0.000 1.190 281 S CA -0.288 57.863 58.200 -0.081 0.000 0.860 281 S CB 0.761 63.986 63.200 0.043 0.000 1.206 281 S HN 0.594 nan 8.310 nan 0.000 0.507 282 F N 1.457 121.315 119.950 -0.153 0.000 2.120 282 F HA 0.064 4.590 4.527 -0.001 0.000 0.300 282 F C -0.896 174.860 175.800 -0.073 0.000 1.095 282 F CA 1.708 59.508 58.000 -0.334 0.000 1.249 282 F CB -1.715 36.954 39.000 -0.552 0.000 0.995 282 F HN 0.431 nan 8.300 nan 0.000 0.480 283 P HA -0.105 nan 4.420 nan 0.000 0.222 283 P C 1.436 178.840 177.300 0.174 0.000 1.147 283 P CA 1.685 64.881 63.100 0.161 0.000 0.790 283 P CB -0.280 31.492 31.700 0.121 0.000 0.780 284 T N -0.689 113.941 114.554 0.126 0.000 2.720 284 T HA -0.152 4.197 4.350 -0.001 0.000 0.268 284 T C 1.284 176.102 174.700 0.198 0.000 1.037 284 T CA 1.603 63.773 62.100 0.116 0.000 1.144 284 T CB -0.862 68.037 68.868 0.053 0.000 0.864 284 T HN 0.182 nan 8.240 nan 0.000 0.444 285 D N 0.778 121.318 120.400 0.234 0.000 2.178 285 D HA 0.005 4.644 4.640 -0.001 0.000 0.202 285 D C 2.067 178.502 176.300 0.224 0.000 0.974 285 D CA 0.719 54.875 54.000 0.259 0.000 0.841 285 D CB -0.181 40.844 40.800 0.377 0.000 0.953 285 D HN 0.246 nan 8.370 nan 0.000 0.478 286 M N -0.372 119.373 119.600 0.242 0.000 2.213 286 M HA -0.126 4.354 4.480 -0.001 0.000 0.263 286 M C 2.085 178.470 176.300 0.141 0.000 1.062 286 M CA 0.686 56.083 55.300 0.162 0.000 1.105 286 M CB -1.109 31.578 32.600 0.145 0.000 1.385 286 M HN 0.315 nan 8.290 nan 0.000 0.417 287 W N 1.391 122.703 121.300 0.019 0.000 2.317 287 W HA -0.232 4.427 4.660 -0.001 0.000 0.318 287 W C 1.957 178.478 176.519 0.004 0.000 1.227 287 W CA 2.024 59.364 57.345 -0.007 0.000 1.269 287 W CB -0.573 28.880 29.460 -0.011 0.000 1.155 287 W HN 0.196 nan 8.180 nan 0.000 0.484 288 S N 0.611 116.472 115.700 0.269 0.000 2.419 288 S HA -0.162 4.307 4.470 -0.001 0.000 0.233 288 S C 1.787 176.403 174.600 0.027 0.000 1.016 288 S CA 1.403 59.701 58.200 0.163 0.000 0.974 288 S CB -0.479 62.826 63.200 0.176 0.000 0.786 288 S HN 0.154 nan 8.310 nan 0.000 0.492 289 V N 1.521 121.445 119.914 0.017 0.000 2.358 289 V HA -0.122 3.998 4.120 -0.001 0.000 0.246 289 V C 2.621 178.711 176.094 -0.007 0.000 1.047 289 V CA 1.873 64.181 62.300 0.014 0.000 1.035 289 V CB -1.437 30.409 31.823 0.038 0.000 0.658 289 V HN 0.570 nan 8.190 nan 0.000 0.452 290 G N -0.079 108.636 108.800 -0.141 0.000 2.446 290 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.217 290 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.217 290 G C 1.689 176.459 174.900 -0.217 0.000 1.168 290 G CA 1.271 46.219 45.100 -0.253 0.000 0.771 290 G HN 0.372 nan 8.290 nan 0.000 0.551 291 V N 1.022 120.784 119.914 -0.253 0.000 2.332 291 V HA -0.198 3.921 4.120 -0.001 0.000 0.248 291 V C 2.778 178.914 176.094 0.070 0.000 1.055 291 V CA 1.797 64.025 62.300 -0.119 0.000 1.038 291 V CB -0.365 31.463 31.823 0.010 0.000 0.651 291 V HN 0.402 nan 8.190 nan 0.000 0.450 292 I N 0.075 120.691 120.570 0.078 0.000 2.353 292 I HA -0.156 4.013 4.170 -0.001 0.000 0.248 292 I C 2.608 178.833 176.117 0.179 0.000 1.119 292 I CA 1.213 62.582 61.300 0.115 0.000 1.417 292 I CB -0.535 37.472 38.000 0.012 0.000 1.078 292 I HN 0.254 nan 8.210 nan 0.000 0.421 293 A N 0.256 123.196 122.820 0.200 0.000 1.883 293 A HA -0.305 4.014 4.320 -0.001 0.000 0.217 293 A C 2.319 180.047 177.584 0.240 0.000 1.186 293 A CA 1.730 53.940 52.037 0.288 0.000 0.624 293 A CB -1.157 18.057 19.000 0.357 0.000 0.822 293 A HN 0.547 nan 8.150 nan 0.000 0.444 294 Y N -0.004 120.323 120.300 0.045 0.000 2.181 294 Y HA -0.222 4.327 4.550 -0.001 0.000 0.288 294 Y C 2.388 178.374 175.900 0.144 0.000 1.146 294 Y CA 2.205 60.356 58.100 0.085 0.000 1.164 294 Y CB -0.213 38.190 38.460 -0.094 0.000 0.982 294 Y HN 0.280 nan 8.280 nan 0.000 0.515 295 M N -0.571 119.249 119.600 0.368 0.000 2.175 295 M HA -0.197 4.282 4.480 -0.001 0.000 0.264 295 M C 2.096 178.495 176.300 0.165 0.000 1.063 295 M CA 1.407 56.870 55.300 0.273 0.000 1.119 295 M CB -0.325 32.431 32.600 0.261 0.000 1.377 295 M HN 0.326 nan 8.290 nan 0.000 0.415 296 L N 0.026 121.361 121.223 0.186 0.000 2.056 296 L HA -0.193 4.146 4.340 -0.001 0.000 0.207 296 L C 2.302 179.232 176.870 0.101 0.000 1.078 296 L CA 1.134 56.074 54.840 0.166 0.000 0.749 296 L CB -0.477 41.736 42.059 0.257 0.000 0.901 296 L HN 0.318 nan 8.230 nan 0.000 0.433 297 L N -0.884 120.395 121.223 0.094 0.000 2.141 297 L HA -0.147 4.192 4.340 -0.001 0.000 0.209 297 L C 2.462 179.196 176.870 -0.227 0.000 1.094 297 L CA 1.478 56.318 54.840 0.000 0.000 0.763 297 L CB -0.269 41.833 42.059 0.070 0.000 0.908 297 L HN 0.384 nan 8.230 nan 0.000 0.437 298 S N -2.517 113.003 115.700 -0.301 0.000 2.575 298 S HA 0.268 4.737 4.470 -0.001 0.000 0.230 298 S C 1.525 176.014 174.600 -0.184 0.000 1.062 298 S CA 0.410 58.325 58.200 -0.474 0.000 0.913 298 S CB 1.103 63.756 63.200 -0.911 0.000 0.837 298 S HN 0.381 nan 8.310 nan 0.000 0.487 299 G N 1.259 110.030 108.800 -0.050 0.000 2.179 299 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.260 299 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.260 299 G C -0.128 174.813 174.900 0.069 0.000 0.977 299 G CA 0.468 45.581 45.100 0.023 0.000 0.641 299 G HN 0.568 nan 8.290 nan 0.000 0.533 300 L N 0.804 122.090 121.223 0.105 0.000 2.331 300 L HA 0.697 5.036 4.340 -0.001 0.000 0.275 300 L C 0.713 177.744 176.870 0.268 0.000 1.022 300 L CA -0.801 54.150 54.840 0.185 0.000 0.812 300 L CB 2.033 44.222 42.059 0.217 0.000 1.257 300 L HN 0.107 nan 8.230 nan 0.000 0.435 301 S N 2.839 118.616 115.700 0.128 0.000 2.448 301 S HA 0.242 4.711 4.470 -0.001 0.000 0.279 301 S C -1.235 173.265 174.600 -0.167 0.000 1.195 301 S CA -1.383 56.817 58.200 -0.001 0.000 1.051 301 S CB 0.803 63.961 63.200 -0.070 0.000 0.948 301 S HN 0.431 nan 8.310 nan 0.000 0.493 302 P HA -0.061 nan 4.420 nan 0.000 0.218 302 P C 0.463 177.221 177.300 -0.904 0.000 1.148 302 P CA 1.369 63.735 63.100 -1.224 0.000 0.822 302 P CB 0.006 30.506 31.700 -1.999 0.000 0.784 303 F N -1.898 117.924 119.950 -0.213 0.000 2.682 303 F HA 0.262 4.789 4.527 -0.001 0.000 0.308 303 F C 1.155 176.908 175.800 -0.079 0.000 1.093 303 F CA -0.790 57.155 58.000 -0.092 0.000 1.244 303 F CB -0.475 38.502 39.000 -0.038 0.000 1.052 303 F HN -0.213 nan 8.300 nan 0.000 0.573 304 L N 1.142 122.375 121.223 0.016 0.000 2.499 304 L HA 0.467 4.806 4.340 -0.001 0.000 0.273 304 L C 0.558 177.439 176.870 0.017 0.000 1.195 304 L CA 0.408 55.243 54.840 -0.007 0.000 0.882 304 L CB 0.058 42.092 42.059 -0.042 0.000 1.133 304 L HN 0.167 nan 8.230 nan 0.000 0.483 305 G N 2.530 111.342 108.800 0.020 0.000 3.175 305 G HA2 0.242 4.202 3.960 -0.001 0.000 0.255 305 G HA3 0.242 4.202 3.960 -0.001 0.000 0.255 305 G C -0.037 174.874 174.900 0.018 0.000 1.352 305 G CA -0.210 44.905 45.100 0.024 0.000 1.037 305 G HN 0.574 nan 8.290 nan 0.000 0.556 306 D N -0.514 119.898 120.400 0.019 0.000 2.310 306 D HA 0.036 4.676 4.640 -0.001 0.000 0.212 306 D C 0.634 176.945 176.300 0.018 0.000 0.965 306 D CA 1.078 55.089 54.000 0.018 0.000 0.879 306 D CB 0.095 40.906 40.800 0.018 0.000 0.921 306 D HN 0.537 nan 8.370 nan 0.000 0.510 307 N N -1.762 116.948 118.700 0.017 0.000 3.106 307 N HA 0.079 4.818 4.740 -0.001 0.000 0.253 307 N C -0.215 175.304 175.510 0.015 0.000 1.506 307 N CA -0.615 52.446 53.050 0.019 0.000 0.876 307 N CB 0.801 39.301 38.487 0.022 0.000 1.452 307 N HN -0.465 nan 8.380 nan 0.000 0.542 308 D N -0.253 120.160 120.400 0.021 0.000 2.117 308 D HA -0.063 4.577 4.640 -0.001 0.000 0.197 308 D C 1.829 178.131 176.300 0.003 0.000 0.987 308 D CA 1.950 55.960 54.000 0.017 0.000 0.829 308 D CB -0.604 40.222 40.800 0.044 0.000 0.961 308 D HN 0.640 nan 8.370 nan 0.000 0.460 309 A N 0.667 123.497 122.820 0.018 0.000 1.933 309 A HA -0.200 4.120 4.320 -0.001 0.000 0.218 309 A C 2.099 179.682 177.584 -0.001 0.000 1.175 309 A CA 1.504 53.548 52.037 0.012 0.000 0.628 309 A CB -0.449 18.567 19.000 0.028 0.000 0.814 309 A HN 0.209 nan 8.150 nan 0.000 0.444 310 E N -0.891 119.314 120.200 0.007 0.000 2.152 310 E HA -0.108 4.241 4.350 -0.001 0.000 0.192 310 E C 1.904 178.513 176.600 0.015 0.000 0.983 310 E CA 1.311 57.719 56.400 0.014 0.000 0.818 310 E CB -0.026 29.686 29.700 0.020 0.000 0.758 310 E HN 0.584 nan 8.360 nan 0.000 0.467 311 T N 1.638 116.194 114.554 0.004 0.000 2.708 311 T HA -0.148 4.201 4.350 -0.001 0.000 0.266 311 T C 1.952 176.633 174.700 -0.032 0.000 1.037 311 T CA 1.058 63.161 62.100 0.005 0.000 1.146 311 T CB -0.235 68.621 68.868 -0.020 0.000 0.865 311 T HN 0.136 nan 8.240 nan 0.000 0.435 312 L N 1.531 122.696 121.223 -0.096 0.000 2.043 312 L HA -0.176 4.163 4.340 -0.001 0.000 0.212 312 L C 2.760 179.565 176.870 -0.109 0.000 1.075 312 L CA 1.234 55.966 54.840 -0.179 0.000 0.752 312 L CB -0.736 41.169 42.059 -0.257 0.000 0.891 312 L HN 0.348 nan 8.230 nan 0.000 0.432 313 N N 0.463 119.136 118.700 -0.045 0.000 2.036 313 N HA -0.233 4.506 4.740 -0.001 0.000 0.195 313 N C 1.578 177.103 175.510 0.024 0.000 1.037 313 N CA 1.822 54.866 53.050 -0.010 0.000 0.855 313 N CB -0.140 38.353 38.487 0.010 0.000 1.033 313 N HN 0.385 nan 8.380 nan 0.000 0.423 314 N N 1.184 119.928 118.700 0.074 0.000 2.149 314 N HA -0.123 4.616 4.740 -0.001 0.000 0.188 314 N C 2.013 177.630 175.510 0.178 0.000 1.019 314 N CA 0.845 54.014 53.050 0.198 0.000 0.857 314 N CB -0.376 38.297 38.487 0.310 0.000 0.997 314 N HN 0.434 nan 8.380 nan 0.000 0.426 315 I N 1.002 121.545 120.570 -0.046 0.000 2.202 315 I HA -0.207 3.962 4.170 -0.001 0.000 0.242 315 I C 2.016 178.011 176.117 -0.202 0.000 1.091 315 I CA 0.900 62.012 61.300 -0.314 0.000 1.368 315 I CB -0.221 37.548 38.000 -0.384 0.000 1.058 315 I HN 0.035 nan 8.210 nan 0.000 0.410 316 L N 0.395 121.538 121.223 -0.134 0.000 2.217 316 L HA -0.061 4.279 4.340 -0.001 0.000 0.211 316 L C 2.455 179.313 176.870 -0.020 0.000 1.107 316 L CA 0.811 55.593 54.840 -0.097 0.000 0.783 316 L CB -0.526 41.482 42.059 -0.086 0.000 0.919 316 L HN 0.204 nan 8.230 nan 0.000 0.442 317 A N -1.534 121.304 122.820 0.029 0.000 2.275 317 A HA -0.020 4.300 4.320 -0.001 0.000 0.212 317 A C 1.426 179.089 177.584 0.132 0.000 1.201 317 A CA 0.153 52.228 52.037 0.065 0.000 0.843 317 A CB -0.623 18.416 19.000 0.064 0.000 0.873 317 A HN 0.531 nan 8.150 nan 0.000 0.492 318 C N 0.246 119.661 119.300 0.192 0.000 3.744 318 C HA -0.168 4.291 4.460 -0.001 0.000 0.290 318 C C 0.661 175.955 174.990 0.506 0.000 1.385 318 C CA 0.781 60.052 59.018 0.422 0.000 2.099 318 C CB -2.640 25.337 27.740 0.395 0.000 1.359 318 C HN 0.592 nan 8.230 nan 0.000 0.629 319 R N 2.588 123.378 120.500 0.483 0.000 2.198 319 R HA 0.607 4.947 4.340 -0.001 0.000 0.339 319 R C -0.027 176.468 176.300 0.325 0.000 1.020 319 R CA -0.202 56.059 56.100 0.268 0.000 0.864 319 R CB 0.510 30.911 30.300 0.168 0.000 1.105 319 R HN 0.801 nan 8.270 nan 0.000 0.463 320 W N 2.990 124.277 121.300 -0.021 0.000 3.146 320 W HA 0.402 5.061 4.660 -0.001 0.000 0.319 320 W C -1.814 174.633 176.519 -0.122 0.000 1.258 320 W CA -1.173 56.039 57.345 -0.222 0.000 1.189 320 W CB 0.571 29.691 29.460 -0.567 0.000 1.412 320 W HN 0.602 nan 8.180 nan 0.000 0.567 321 D N -0.382 120.045 120.400 0.046 0.000 2.664 321 D HA 0.578 5.217 4.640 -0.001 0.000 0.292 321 D C -0.893 175.435 176.300 0.046 0.000 1.214 321 D CA -0.899 53.025 54.000 -0.126 0.000 0.932 321 D CB 1.853 42.560 40.800 -0.155 0.000 1.420 321 D HN 0.276 nan 8.370 nan 0.000 0.471 322 L N -0.010 121.114 121.223 -0.165 0.000 3.154 322 L HA 0.356 4.696 4.340 -0.001 0.000 0.266 322 L C 0.810 177.638 176.870 -0.070 0.000 1.300 322 L CA -0.192 54.375 54.840 -0.455 0.000 1.028 322 L CB 0.097 41.820 42.059 -0.561 0.000 1.412 322 L HN 0.444 nan 8.230 nan 0.000 0.564 323 E N -0.211 120.017 120.200 0.048 0.000 2.447 323 E HA 0.000 4.349 4.350 -0.001 0.000 0.195 323 E C -0.150 176.536 176.600 0.144 0.000 1.028 323 E CA -0.093 56.353 56.400 0.077 0.000 0.876 323 E CB 0.438 30.155 29.700 0.028 0.000 0.885 323 E HN 0.454 nan 8.360 nan 0.000 0.500 324 D N 0.941 121.495 120.400 0.255 0.000 2.378 324 D HA -0.071 4.568 4.640 -0.001 0.000 0.238 324 D C 0.998 177.369 176.300 0.118 0.000 1.180 324 D CA 0.286 54.393 54.000 0.179 0.000 0.895 324 D CB 0.750 41.653 40.800 0.172 0.000 1.192 324 D HN -0.089 nan 8.370 nan 0.000 0.438 325 E N 0.783 121.002 120.200 0.032 0.000 2.204 325 E HA -0.160 4.189 4.350 -0.001 0.000 0.194 325 E C 1.150 177.720 176.600 -0.050 0.000 0.989 325 E CA 1.148 57.551 56.400 0.005 0.000 0.824 325 E CB 0.061 29.759 29.700 -0.005 0.000 0.756 325 E HN 0.390 nan 8.360 nan 0.000 0.477 326 E N -0.885 119.225 120.200 -0.151 0.000 2.219 326 E HA -0.165 4.184 4.350 -0.001 0.000 0.198 326 E C 1.060 177.428 176.600 -0.386 0.000 0.998 326 E CA 1.158 57.370 56.400 -0.312 0.000 0.818 326 E CB -0.260 29.136 29.700 -0.507 0.000 0.741 326 E HN 0.365 nan 8.360 nan 0.000 0.477 327 F N -0.463 119.443 119.950 -0.074 0.000 2.765 327 F HA 0.106 4.633 4.527 -0.001 0.000 0.302 327 F C 2.638 178.412 175.800 -0.043 0.000 1.111 327 F CA 0.686 58.639 58.000 -0.080 0.000 1.359 327 F CB -0.751 38.185 39.000 -0.106 0.000 1.097 327 F HN 0.042 nan 8.300 nan 0.000 0.577 328 Q N -0.018 119.841 119.800 0.098 0.000 2.170 328 Q HA -0.164 4.176 4.340 -0.001 0.000 0.203 328 Q C 1.301 177.333 176.000 0.053 0.000 0.976 328 Q CA 2.033 57.876 55.803 0.067 0.000 0.858 328 Q CB -0.655 28.106 28.738 0.037 0.000 0.907 328 Q HN 0.271 nan 8.270 nan 0.000 0.433 329 D N -0.966 119.460 120.400 0.043 0.000 2.368 329 D HA 0.286 4.925 4.640 -0.001 0.000 0.218 329 D C -0.156 176.178 176.300 0.057 0.000 1.112 329 D CA -0.148 53.876 54.000 0.040 0.000 0.834 329 D CB 0.144 40.959 40.800 0.024 0.000 0.953 329 D HN 0.579 nan 8.370 nan 0.000 0.505 330 I N 0.920 121.536 120.570 0.077 0.000 2.499 330 I HA 0.066 4.236 4.170 -0.001 0.000 0.296 330 I C 1.045 177.211 176.117 0.082 0.000 0.992 330 I CA -0.731 60.626 61.300 0.094 0.000 1.297 330 I CB 1.387 39.461 38.000 0.124 0.000 1.410 330 I HN -0.115 nan 8.210 nan 0.000 0.507 331 S N 3.894 119.656 115.700 0.104 0.000 2.566 331 S HA 0.034 4.504 4.470 -0.001 0.000 0.280 331 S C 0.919 175.552 174.600 0.055 0.000 1.343 331 S CA -0.445 57.817 58.200 0.102 0.000 1.036 331 S CB 1.041 64.350 63.200 0.183 0.000 0.866 331 S HN 0.560 nan 8.310 nan 0.000 0.526 332 E N 1.703 121.939 120.200 0.060 0.000 2.153 332 E HA -0.150 4.200 4.350 -0.001 0.000 0.194 332 E C 2.149 178.784 176.600 0.057 0.000 0.988 332 E CA 1.501 57.927 56.400 0.045 0.000 0.811 332 E CB -0.314 29.416 29.700 0.049 0.000 0.746 332 E HN 0.921 nan 8.360 nan 0.000 0.466 333 E N 0.787 121.052 120.200 0.109 0.000 2.107 333 E HA -0.075 4.274 4.350 -0.001 0.000 0.191 333 E C 2.061 178.676 176.600 0.025 0.000 0.982 333 E CA 0.982 57.503 56.400 0.201 0.000 0.809 333 E CB -0.446 29.436 29.700 0.303 0.000 0.756 333 E HN 0.136 nan 8.360 nan 0.000 0.459 334 A N 2.395 125.004 122.820 -0.352 0.000 1.883 334 A HA -0.235 4.084 4.320 -0.001 0.000 0.217 334 A C 2.202 179.468 177.584 -0.531 0.000 1.186 334 A CA 2.064 53.429 52.037 -1.119 0.000 0.624 334 A CB -0.479 18.026 19.000 -0.825 0.000 0.822 334 A HN 0.210 nan 8.150 nan 0.000 0.444 335 K N -0.708 119.555 120.400 -0.230 0.000 2.057 335 K HA -0.173 4.146 4.320 -0.001 0.000 0.207 335 K C 2.159 178.735 176.600 -0.038 0.000 1.049 335 K CA 1.490 57.704 56.287 -0.121 0.000 0.931 335 K CB -0.155 32.304 32.500 -0.067 0.000 0.714 335 K HN 0.706 nan 8.250 nan 0.000 0.440 336 E N 0.497 120.713 120.200 0.025 0.000 2.072 336 E HA -0.192 4.157 4.350 -0.001 0.000 0.191 336 E C 1.839 178.449 176.600 0.017 0.000 0.985 336 E CA 0.784 57.242 56.400 0.096 0.000 0.801 336 E CB -0.086 29.752 29.700 0.229 0.000 0.750 336 E HN 0.241 nan 8.360 nan 0.000 0.452 337 F N 1.312 121.107 119.950 -0.258 0.000 2.043 337 F HA -0.254 4.272 4.527 -0.001 0.000 0.297 337 F C 2.082 177.705 175.800 -0.296 0.000 1.121 337 F CA 1.965 59.680 58.000 -0.475 0.000 1.199 337 F CB -0.196 38.537 39.000 -0.445 0.000 0.968 337 F HN -0.003 nan 8.300 nan 0.000 0.478 338 I N -0.247 120.217 120.570 -0.177 0.000 2.248 338 I HA -0.356 3.813 4.170 -0.001 0.000 0.248 338 I C 2.267 178.245 176.117 -0.233 0.000 1.107 338 I CA 1.579 62.712 61.300 -0.278 0.000 1.373 338 I CB -0.660 37.177 38.000 -0.271 0.000 1.055 338 I HN 0.103 nan 8.210 nan 0.000 0.418 339 S N 0.125 115.825 115.700 -0.000 0.000 2.474 339 S HA -0.072 4.398 4.470 -0.001 0.000 0.235 339 S C 1.673 176.318 174.600 0.073 0.000 0.997 339 S CA 0.899 59.214 58.200 0.191 0.000 0.949 339 S CB -0.107 63.191 63.200 0.164 0.000 0.766 339 S HN 0.412 nan 8.310 nan 0.000 0.517 340 K N 0.271 120.626 120.400 -0.075 0.000 2.374 340 K HA 0.303 4.622 4.320 -0.001 0.000 0.196 340 K C 0.961 177.502 176.600 -0.098 0.000 1.023 340 K CA 0.193 56.442 56.287 -0.062 0.000 1.103 340 K CB 0.268 32.706 32.500 -0.103 0.000 0.848 340 K HN 0.339 nan 8.250 nan 0.000 0.528 341 L N -0.229 120.882 121.223 -0.188 0.000 2.624 341 L HA 0.178 4.518 4.340 -0.001 0.000 0.222 341 L C 0.812 177.590 176.870 -0.153 0.000 1.046 341 L CA 0.054 54.785 54.840 -0.182 0.000 0.872 341 L CB 0.332 42.192 42.059 -0.333 0.000 1.190 341 L HN -0.033 nan 8.230 nan 0.000 0.487 342 L N 2.705 123.737 121.223 -0.319 0.000 2.480 342 L HA 0.303 4.642 4.340 -0.001 0.000 0.243 342 L C -0.700 176.269 176.870 0.165 0.000 1.315 342 L CA 0.208 54.751 54.840 -0.495 0.000 1.231 342 L CB -0.427 40.922 42.059 -1.182 0.000 1.444 342 L HN 0.162 nan 8.230 nan 0.000 0.409 343 I N 0.876 121.659 120.570 0.355 0.000 2.436 343 I HA 0.145 4.315 4.170 -0.001 0.000 0.289 343 I C 1.038 177.444 176.117 0.482 0.000 1.010 343 I CA -0.562 60.982 61.300 0.407 0.000 1.098 343 I CB 2.452 40.633 38.000 0.302 0.000 1.266 343 I HN 0.264 nan 8.210 nan 0.000 0.434 344 K N 3.838 124.462 120.400 0.373 0.000 2.063 344 K HA -0.158 4.161 4.320 -0.001 0.000 0.208 344 K C 0.747 177.426 176.600 0.132 0.000 1.048 344 K CA 1.511 57.912 56.287 0.191 0.000 0.928 344 K CB 0.173 32.743 32.500 0.116 0.000 0.713 344 K HN 0.516 nan 8.250 nan 0.000 0.442 345 E N 1.294 121.624 120.200 0.216 0.000 2.180 345 E HA 0.025 4.375 4.350 -0.001 0.000 0.283 345 E C 0.061 176.806 176.600 0.241 0.000 1.061 345 E CA 0.268 56.810 56.400 0.238 0.000 0.861 345 E CB 1.056 30.985 29.700 0.383 0.000 1.056 345 E HN 0.118 nan 8.360 nan 0.000 0.407 346 K N 1.974 122.451 120.400 0.129 0.000 2.059 346 K HA -0.183 4.136 4.320 -0.001 0.000 0.212 346 K C 1.527 178.172 176.600 0.074 0.000 1.050 346 K CA 1.867 58.215 56.287 0.102 0.000 0.927 346 K CB -0.091 32.444 32.500 0.057 0.000 0.714 346 K HN 0.609 nan 8.250 nan 0.000 0.447 347 S N -0.587 115.100 115.700 -0.023 0.000 2.537 347 S HA -0.138 4.332 4.470 -0.001 0.000 0.240 347 S C 1.190 175.603 174.600 -0.312 0.000 0.981 347 S CA 0.743 58.819 58.200 -0.207 0.000 0.948 347 S CB -0.410 62.572 63.200 -0.363 0.000 0.759 347 S HN 0.405 nan 8.310 nan 0.000 0.531 348 W N 1.763 123.102 121.300 0.064 0.000 3.107 348 W HA 0.347 5.007 4.660 -0.001 0.000 0.293 348 W C 0.801 177.355 176.519 0.059 0.000 1.239 348 W CA -1.011 56.371 57.345 0.061 0.000 1.653 348 W CB 0.261 29.761 29.460 0.066 0.000 1.068 348 W HN -0.004 nan 8.180 nan 0.000 0.615 349 R N 1.911 122.555 120.500 0.239 0.000 2.594 349 R HA 0.235 4.574 4.340 -0.001 0.000 0.272 349 R C 0.543 176.903 176.300 0.101 0.000 1.074 349 R CA -0.404 55.790 56.100 0.158 0.000 1.105 349 R CB 0.434 30.826 30.300 0.153 0.000 1.008 349 R HN 0.060 nan 8.270 nan 0.000 0.472 350 I N -1.010 119.593 120.570 0.055 0.000 2.882 350 I HA 0.151 4.320 4.170 -0.001 0.000 0.286 350 I C 0.642 176.785 176.117 0.043 0.000 1.139 350 I CA -0.584 60.742 61.300 0.043 0.000 1.379 350 I CB 1.039 39.052 38.000 0.022 0.000 1.410 350 I HN 0.557 nan 8.210 nan 0.000 0.594 351 S N 3.535 119.263 115.700 0.047 0.000 2.655 351 S HA 0.525 4.995 4.470 -0.001 0.000 0.265 351 S C 1.173 175.818 174.600 0.074 0.000 1.240 351 S CA -0.284 57.951 58.200 0.059 0.000 0.986 351 S CB 1.459 64.664 63.200 0.008 0.000 0.985 351 S HN 0.927 nan 8.310 nan 0.000 0.562 352 A N 0.923 123.803 122.820 0.100 0.000 1.940 352 A HA -0.053 4.266 4.320 -0.001 0.000 0.219 352 A C 2.415 180.032 177.584 0.054 0.000 1.176 352 A CA 2.056 54.126 52.037 0.056 0.000 0.631 352 A CB -1.529 17.453 19.000 -0.030 0.000 0.814 352 A HN 0.980 nan 8.150 nan 0.000 0.446 353 S N -0.688 115.032 115.700 0.034 0.000 2.383 353 S HA -0.161 4.309 4.470 -0.001 0.000 0.227 353 S C 1.839 176.479 174.600 0.066 0.000 1.026 353 S CA 1.549 59.766 58.200 0.029 0.000 0.981 353 S CB -0.320 62.874 63.200 -0.010 0.000 0.818 353 S HN 0.647 nan 8.310 nan 0.000 0.472 354 E N 0.672 120.918 120.200 0.076 0.000 2.107 354 E HA 0.019 4.368 4.350 -0.001 0.000 0.191 354 E C 2.402 179.118 176.600 0.192 0.000 0.982 354 E CA 0.867 57.335 56.400 0.114 0.000 0.809 354 E CB -0.320 29.438 29.700 0.097 0.000 0.756 354 E HN 0.640 nan 8.360 nan 0.000 0.459 355 A N 1.103 124.035 122.820 0.187 0.000 1.883 355 A HA -0.206 4.113 4.320 -0.001 0.000 0.217 355 A C 2.162 179.979 177.584 0.388 0.000 1.186 355 A CA 1.258 53.495 52.037 0.333 0.000 0.624 355 A CB -0.753 18.404 19.000 0.263 0.000 0.822 355 A HN 0.168 nan 8.150 nan 0.000 0.444 356 L N -1.052 120.306 121.223 0.225 0.000 2.131 356 L HA -0.165 4.174 4.340 -0.001 0.000 0.210 356 L C 2.260 179.224 176.870 0.157 0.000 1.092 356 L CA 1.573 56.508 54.840 0.159 0.000 0.759 356 L CB -0.265 41.849 42.059 0.092 0.000 0.903 356 L HN 0.326 nan 8.230 nan 0.000 0.435 357 K N -1.641 118.858 120.400 0.164 0.000 2.487 357 K HA -0.018 4.302 4.320 -0.001 0.000 0.192 357 K C 0.609 177.308 176.600 0.164 0.000 1.027 357 K CA -0.121 56.243 56.287 0.128 0.000 1.054 357 K CB -0.046 32.510 32.500 0.092 0.000 0.824 357 K HN 0.220 nan 8.250 nan 0.000 0.510 358 H N 1.293 120.471 119.070 0.180 0.000 2.764 358 H HA 0.027 4.583 4.556 -0.001 0.000 0.341 358 H C -1.967 173.481 175.328 0.200 0.000 1.072 358 H CA -1.583 54.605 56.048 0.233 0.000 1.444 358 H CB 1.496 31.512 29.762 0.422 0.000 1.458 358 H HN -0.155 nan 8.280 nan 0.000 0.572 359 P HA -0.218 nan 4.420 nan 0.000 0.218 359 P C 1.386 178.797 177.300 0.185 0.000 1.152 359 P CA 1.345 64.396 63.100 -0.081 0.000 0.857 359 P CB -0.188 31.405 31.700 -0.179 0.000 0.787 360 W N 0.185 121.635 121.300 0.250 0.000 2.318 360 W HA -0.159 4.500 4.660 -0.001 0.000 0.313 360 W C 1.973 178.577 176.519 0.142 0.000 1.221 360 W CA 1.570 59.019 57.345 0.173 0.000 1.266 360 W CB -0.986 28.500 29.460 0.044 0.000 1.150 360 W HN -0.139 nan 8.180 nan 0.000 0.496 361 L N -0.065 121.226 121.223 0.113 0.000 2.416 361 L HA -0.003 4.336 4.340 -0.001 0.000 0.216 361 L C 2.394 179.335 176.870 0.117 0.000 1.098 361 L CA 1.285 56.094 54.840 -0.053 0.000 0.840 361 L CB -0.632 41.383 42.059 -0.074 0.000 0.981 361 L HN 0.047 nan 8.230 nan 0.000 0.462 362 S N -3.079 112.663 115.700 0.069 0.000 2.524 362 S HA 0.002 4.471 4.470 -0.001 0.000 0.222 362 S C 0.545 175.019 174.600 -0.210 0.000 1.040 362 S CA -0.410 57.780 58.200 -0.017 0.000 0.915 362 S CB -0.066 63.141 63.200 0.012 0.000 0.831 362 S HN 0.215 nan 8.310 nan 0.000 0.492 363 D N 1.407 121.623 120.400 -0.306 0.000 2.346 363 D HA 0.383 5.023 4.640 -0.001 0.000 0.260 363 D C 1.409 177.340 176.300 -0.614 0.000 1.252 363 D CA 0.646 54.441 54.000 -0.341 0.000 0.895 363 D CB 0.590 41.278 40.800 -0.186 0.000 1.097 363 D HN 0.496 nan 8.370 nan 0.000 0.489 364 H N 2.879 121.729 119.070 -0.365 0.000 2.395 364 H HA 0.008 4.564 4.556 -0.001 0.000 0.299 364 H C 2.108 177.340 175.328 -0.159 0.000 1.070 364 H CA 1.868 57.753 56.048 -0.272 0.000 1.356 364 H CB -0.477 29.210 29.762 -0.125 0.000 1.401 364 H HN 0.508 nan 8.280 nan 0.000 0.524 365 K N 0.759 121.086 120.400 -0.121 0.000 2.211 365 K HA 0.245 4.565 4.320 -0.001 0.000 0.203 365 K C 2.344 178.922 176.600 -0.037 0.000 1.050 365 K CA 1.401 57.652 56.287 -0.059 0.000 0.945 365 K CB -0.733 31.740 32.500 -0.044 0.000 0.732 365 K HN 0.584 nan 8.250 nan 0.000 0.451 366 L N 0.085 121.269 121.223 -0.066 0.000 2.044 366 L HA -0.006 4.334 4.340 -0.001 0.000 0.205 366 L C 2.394 179.324 176.870 0.100 0.000 1.075 366 L CA 1.984 56.834 54.840 0.015 0.000 0.747 366 L CB -0.437 41.641 42.059 0.031 0.000 0.903 366 L HN 0.614 nan 8.230 nan 0.000 0.435 367 H N -1.669 117.386 119.070 -0.025 0.000 2.421 367 H HA -0.122 4.434 4.556 -0.001 0.000 0.298 367 H C 2.329 177.635 175.328 -0.036 0.000 1.087 367 H CA 0.833 56.852 56.048 -0.048 0.000 1.330 367 H CB 0.075 29.791 29.762 -0.077 0.000 1.388 367 H HN 0.403 nan 8.280 nan 0.000 0.526 368 S N 0.148 115.900 115.700 0.087 0.000 2.355 368 S HA -0.126 4.343 4.470 -0.001 0.000 0.222 368 S C 2.151 176.770 174.600 0.031 0.000 1.031 368 S CA 0.861 59.085 58.200 0.039 0.000 0.993 368 S CB 0.008 63.215 63.200 0.013 0.000 0.859 368 S HN 0.307 nan 8.310 nan 0.000 0.453 369 R N 0.199 120.720 120.500 0.035 0.000 2.081 369 R HA 0.053 4.393 4.340 -0.001 0.000 0.235 369 R C 0.825 177.147 176.300 0.037 0.000 1.131 369 R CA 0.802 56.922 56.100 0.033 0.000 0.960 369 R CB -0.205 30.118 30.300 0.038 0.000 0.856 369 R HN 0.324 nan 8.270 nan 0.000 0.436 370 L N 0.000 121.255 121.223 0.053 0.000 2.949 370 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 370 L CA 0.000 54.866 54.840 0.043 0.000 0.813 370 L CB 0.000 42.094 42.059 0.058 0.000 0.961 370 L HN 0.000 nan 8.230 nan 0.000 0.502