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 2gfp_1_B DATA FIRST_RESID 9 DATA SEQUENCE LLLMLVLLVA VGQMAQTIYI PAIADMARDL NVREGAVQSV MGAYLLTYGV DATA SEQUENCE SQLFYGPISD RVGRRPVILV GMSIFMLATL VAVTTSSLTV LIAASAMQGM DATA SEQUENCE GTGVGGVMAR TLPRDLYERT QLRHANSLLN MGILVSPLLA PLIGGLLDTM DATA SEQUENCE WNWRACYLFL LVLCAGVTFS MARWMPETRP VDAPRTRLLT SYKTLFGNSG DATA SEQUENCE FNCYLLMLIG GLAGIAAFEA CSGVLMGAVL GLSSMTVSIL FILPIPAAFF DATA SEQUENCE GAWFAGRPNK RFSTLMWQSV ICCLLAGLLM WIPDWFGVMN VWTLLVPAAL DATA SEQUENCE FFFGAGMLFP LATSGAMEPF PFLAGTAGAL VGGLQNIGSG VLASLSAMLP DATA SEQUENCE QTGQGSLGLL MTLMGLLIVL CWLPL 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 9 L HA 0.000 nan 4.340 nan 0.000 0.249 9 L C 0.000 176.865 176.870 -0.008 0.000 1.165 9 L CA 0.000 54.847 54.840 0.012 0.000 0.813 9 L CB 0.000 42.091 42.059 0.053 0.000 0.961 10 L N 0.511 121.737 121.223 0.006 0.000 2.011 10 L HA -0.264 4.078 4.340 0.004 0.000 0.225 10 L C 2.376 179.236 176.870 -0.016 0.000 1.084 10 L CA 2.130 56.970 54.840 0.000 0.000 0.791 10 L CB -1.266 40.800 42.059 0.010 0.000 0.898 10 L HN 0.406 nan 8.230 nan 0.000 0.440 11 L N -1.044 120.167 121.223 -0.019 0.000 2.131 11 L HA -0.151 4.192 4.340 0.004 0.000 0.210 11 L C 2.795 179.628 176.870 -0.062 0.000 1.092 11 L CA 1.609 56.429 54.840 -0.033 0.000 0.759 11 L CB -0.502 41.544 42.059 -0.022 0.000 0.903 11 L HN 0.317 nan 8.230 nan 0.000 0.435 12 M N -0.904 118.647 119.600 -0.080 0.000 2.108 12 M HA -0.234 4.249 4.480 0.004 0.000 0.261 12 M C 2.240 178.488 176.300 -0.087 0.000 1.066 12 M CA 1.804 57.037 55.300 -0.113 0.000 1.107 12 M CB -0.483 32.030 32.600 -0.145 0.000 1.356 12 M HN 0.218 nan 8.290 nan 0.000 0.406 13 L N -0.180 121.008 121.223 -0.059 0.000 1.976 13 L HA -0.184 4.159 4.340 0.004 0.000 0.209 13 L C 2.724 179.562 176.870 -0.055 0.000 1.071 13 L CA 1.457 56.269 54.840 -0.046 0.000 0.746 13 L CB -1.220 40.825 42.059 -0.024 0.000 0.890 13 L HN 0.305 nan 8.230 nan 0.000 0.432 14 V N -1.809 118.076 119.914 -0.048 0.000 2.370 14 V HA -0.291 3.832 4.120 0.004 0.000 0.252 14 V C 2.397 178.446 176.094 -0.075 0.000 1.068 14 V CA 1.747 64.017 62.300 -0.049 0.000 1.061 14 V CB -0.630 31.172 31.823 -0.036 0.000 0.656 14 V HN 0.245 nan 8.190 nan 0.000 0.455 15 L N -0.551 120.613 121.223 -0.099 0.000 2.007 15 L HA 0.085 4.427 4.340 0.004 0.000 0.205 15 L C 2.497 179.271 176.870 -0.161 0.000 1.073 15 L CA 2.127 56.879 54.840 -0.146 0.000 0.744 15 L CB -1.164 40.796 42.059 -0.165 0.000 0.898 15 L HN 0.331 nan 8.230 nan 0.000 0.435 16 L N -0.465 120.673 121.223 -0.142 0.000 2.042 16 L HA -0.204 4.139 4.340 0.004 0.000 0.210 16 L C 2.449 179.233 176.870 -0.144 0.000 1.076 16 L CA 1.509 56.259 54.840 -0.151 0.000 0.749 16 L CB -0.126 41.863 42.059 -0.116 0.000 0.893 16 L HN 0.306 nan 8.230 nan 0.000 0.432 17 V N -3.326 116.526 119.914 -0.102 0.000 2.453 17 V HA -0.104 4.019 4.120 0.004 0.000 0.247 17 V C 2.497 178.541 176.094 -0.083 0.000 1.048 17 V CA 1.299 63.551 62.300 -0.079 0.000 1.049 17 V CB -1.219 30.576 31.823 -0.046 0.000 0.672 17 V HN 0.361 nan 8.190 nan 0.000 0.457 18 A N 1.034 123.800 122.820 -0.089 0.000 1.859 18 A HA -0.191 4.132 4.320 0.004 0.000 0.217 18 A C 2.577 180.108 177.584 -0.087 0.000 1.198 18 A CA 2.874 54.866 52.037 -0.074 0.000 0.629 18 A CB -1.278 17.674 19.000 -0.080 0.000 0.830 18 A HN 0.978 nan 8.150 nan 0.000 0.446 19 V N 0.398 120.222 119.914 -0.149 0.000 2.392 19 V HA -0.130 3.993 4.120 0.004 0.000 0.249 19 V C 2.302 178.270 176.094 -0.209 0.000 1.059 19 V CA 2.789 64.970 62.300 -0.198 0.000 1.051 19 V CB -1.300 30.296 31.823 -0.377 0.000 0.658 19 V HN 0.583 nan 8.190 nan 0.000 0.455 20 G N 0.523 109.205 108.800 -0.197 0.000 2.491 20 G HA2 -0.358 3.604 3.960 0.004 0.000 0.218 20 G HA3 -0.358 3.604 3.960 0.004 0.000 0.218 20 G C 1.490 176.354 174.900 -0.060 0.000 1.180 20 G CA 1.224 46.245 45.100 -0.130 0.000 0.774 20 G HN 0.744 nan 8.290 nan 0.000 0.562 21 Q N -0.612 119.158 119.800 -0.049 0.000 2.137 21 Q HA 0.073 4.415 4.340 0.004 0.000 0.198 21 Q C 2.498 178.463 176.000 -0.058 0.000 0.960 21 Q CA 1.112 56.892 55.803 -0.039 0.000 0.847 21 Q CB -0.415 28.314 28.738 -0.015 0.000 0.915 21 Q HN 0.426 nan 8.270 nan 0.000 0.448 22 M N 1.929 121.511 119.600 -0.029 0.000 2.082 22 M HA -0.185 4.297 4.480 0.004 0.000 0.258 22 M C 2.411 178.722 176.300 0.019 0.000 1.071 22 M CA 2.543 57.849 55.300 0.010 0.000 1.103 22 M CB -0.568 32.069 32.600 0.063 0.000 1.307 22 M HN 0.396 nan 8.290 nan 0.000 0.409 23 A N -0.982 121.883 122.820 0.074 0.000 1.902 23 A HA -0.234 4.088 4.320 0.004 0.000 0.217 23 A C 2.021 179.589 177.584 -0.026 0.000 1.181 23 A CA 1.864 53.986 52.037 0.141 0.000 0.623 23 A CB -0.890 18.349 19.000 0.399 0.000 0.818 23 A HN 0.642 nan 8.150 nan 0.000 0.443 24 Q N -0.187 119.519 119.800 -0.157 0.000 1.856 24 Q HA -0.219 4.124 4.340 0.004 0.000 0.233 24 Q C 2.218 177.573 176.000 -1.075 0.000 0.995 24 Q CA 3.198 58.620 55.803 -0.635 0.000 0.877 24 Q CB -0.547 28.057 28.738 -0.223 0.000 0.937 24 Q HN 0.679 nan 8.270 nan 0.000 0.423 25 T N -0.131 114.133 114.554 -0.484 0.000 2.737 25 T HA -0.192 4.161 4.350 0.004 0.000 0.269 25 T C 1.860 176.372 174.700 -0.313 0.000 1.040 25 T CA 1.361 63.238 62.100 -0.372 0.000 1.142 25 T CB -0.434 68.294 68.868 -0.234 0.000 0.861 25 T HN 0.315 nan 8.240 nan 0.000 0.456 26 I N 2.179 122.614 120.570 -0.225 0.000 2.454 26 I HA -0.074 4.099 4.170 0.004 0.000 0.254 26 I C 2.058 178.126 176.117 -0.080 0.000 1.156 26 I CA 0.285 61.520 61.300 -0.109 0.000 1.433 26 I CB -0.600 37.390 38.000 -0.016 0.000 1.082 26 I HN 0.513 nan 8.210 nan 0.000 0.432 27 Y N -0.939 119.313 120.300 -0.079 0.000 2.439 27 Y HA 0.055 4.608 4.550 0.004 0.000 0.292 27 Y C 2.055 177.902 175.900 -0.087 0.000 1.130 27 Y CA 0.393 58.421 58.100 -0.121 0.000 1.254 27 Y CB -1.617 36.773 38.460 -0.116 0.000 1.000 27 Y HN 0.134 nan 8.280 nan 0.000 0.554 28 I N 2.114 122.743 120.570 0.098 0.000 2.099 28 I HA -0.211 3.962 4.170 0.004 0.000 0.239 28 I C -0.154 175.968 176.117 0.008 0.000 1.066 28 I CA 1.742 63.095 61.300 0.088 0.000 1.324 28 I CB -1.610 36.349 38.000 -0.068 0.000 1.037 28 I HN 0.153 nan 8.210 nan 0.000 0.401 29 P HA -0.161 nan 4.420 nan 0.000 0.215 29 P C 1.515 178.795 177.300 -0.033 0.000 1.157 29 P CA 2.103 65.165 63.100 -0.063 0.000 0.859 29 P CB -0.089 31.565 31.700 -0.076 0.000 0.786 30 A N 0.368 123.175 122.820 -0.022 0.000 1.971 30 A HA -0.224 4.098 4.320 0.004 0.000 0.222 30 A C 2.319 179.880 177.584 -0.040 0.000 1.182 30 A CA 1.802 53.816 52.037 -0.039 0.000 0.649 30 A CB -1.496 17.438 19.000 -0.110 0.000 0.818 30 A HN 0.067 nan 8.150 nan 0.000 0.458 31 I N -0.416 120.145 120.570 -0.014 0.000 2.090 31 I HA -0.239 3.934 4.170 0.004 0.000 0.236 31 I C 3.059 179.155 176.117 -0.035 0.000 1.064 31 I CA 1.432 62.715 61.300 -0.029 0.000 1.324 31 I CB -1.719 36.279 38.000 -0.002 0.000 1.044 31 I HN 0.390 nan 8.210 nan 0.000 0.399 32 A N 0.856 123.655 122.820 -0.035 0.000 1.929 32 A HA -0.308 4.014 4.320 0.004 0.000 0.221 32 A C 1.889 179.446 177.584 -0.044 0.000 1.211 32 A CA 2.593 54.600 52.037 -0.051 0.000 0.657 32 A CB -0.979 17.978 19.000 -0.072 0.000 0.827 32 A HN 0.480 nan 8.150 nan 0.000 0.462 33 D N -0.422 119.957 120.400 -0.036 0.000 2.096 33 D HA -0.142 4.500 4.640 0.004 0.000 0.200 33 D C 2.057 178.346 176.300 -0.018 0.000 0.980 33 D CA 1.616 55.602 54.000 -0.023 0.000 0.860 33 D CB -0.493 40.303 40.800 -0.007 0.000 1.005 33 D HN 0.287 nan 8.370 nan 0.000 0.449 34 M N 0.531 120.123 119.600 -0.014 0.000 2.159 34 M HA 0.001 4.484 4.480 0.004 0.000 0.263 34 M C 2.221 178.508 176.300 -0.022 0.000 1.063 34 M CA 0.923 56.217 55.300 -0.011 0.000 1.110 34 M CB -1.357 31.239 32.600 -0.006 0.000 1.374 34 M HN 0.056 nan 8.290 nan 0.000 0.411 35 A N -0.271 122.530 122.820 -0.032 0.000 1.930 35 A HA -0.121 4.202 4.320 0.004 0.000 0.217 35 A C 2.333 179.897 177.584 -0.033 0.000 1.175 35 A CA 1.306 53.322 52.037 -0.036 0.000 0.627 35 A CB -0.587 18.387 19.000 -0.043 0.000 0.815 35 A HN 0.451 nan 8.150 nan 0.000 0.443 36 R N -0.941 119.540 120.500 -0.033 0.000 2.313 36 R HA -0.012 4.331 4.340 0.004 0.000 0.199 36 R C 0.151 176.437 176.300 -0.024 0.000 0.958 36 R CA 0.739 56.819 56.100 -0.032 0.000 1.047 36 R CB 0.047 30.325 30.300 -0.037 0.000 0.955 36 R HN 0.432 nan 8.270 nan 0.000 0.481 37 D N -0.020 120.368 120.400 -0.020 0.000 2.535 37 D HA 0.067 4.710 4.640 0.004 0.000 0.229 37 D C -0.414 175.878 176.300 -0.013 0.000 1.238 37 D CA -0.174 53.818 54.000 -0.014 0.000 0.824 37 D CB 0.381 41.175 40.800 -0.008 0.000 1.045 37 D HN 0.040 nan 8.370 nan 0.000 0.500 38 L N -2.512 118.701 121.223 -0.017 0.000 2.242 38 L HA 0.571 4.913 4.340 0.004 0.000 0.261 38 L C 1.317 178.177 176.870 -0.018 0.000 1.052 38 L CA -0.738 54.093 54.840 -0.016 0.000 0.972 38 L CB -0.705 41.343 42.059 -0.019 0.000 1.562 38 L HN -0.235 nan 8.230 nan 0.000 0.509 39 N N -0.285 118.405 118.700 -0.017 0.000 2.000 39 N HA -0.144 4.599 4.740 0.004 0.000 0.198 39 N C 0.289 175.787 175.510 -0.020 0.000 1.057 39 N CA 2.242 55.282 53.050 -0.017 0.000 0.858 39 N CB -0.015 38.462 38.487 -0.016 0.000 1.057 39 N HN 0.573 nan 8.380 nan 0.000 0.423 40 V N 1.590 121.490 119.914 -0.023 0.000 2.267 40 V HA 0.305 4.427 4.120 0.004 0.000 0.254 40 V C 0.127 176.203 176.094 -0.030 0.000 1.144 40 V CA -0.798 61.487 62.300 -0.026 0.000 0.992 40 V CB -0.470 31.337 31.823 -0.026 0.000 1.199 40 V HN 0.312 nan 8.190 nan 0.000 0.493 41 R N 1.628 122.111 120.500 -0.030 0.000 2.623 41 R HA 0.226 4.569 4.340 0.004 0.000 0.271 41 R C 0.837 177.112 176.300 -0.042 0.000 1.043 41 R CA 0.316 56.395 56.100 -0.034 0.000 1.083 41 R CB 0.194 30.476 30.300 -0.030 0.000 0.974 41 R HN 0.598 nan 8.270 nan 0.000 0.436 42 E N 1.577 121.748 120.200 -0.048 0.000 3.520 42 E HA -0.291 4.061 4.350 0.004 0.000 0.263 42 E C 1.239 177.800 176.600 -0.066 0.000 0.708 42 E CA 2.273 58.637 56.400 -0.061 0.000 0.884 42 E CB -1.194 28.465 29.700 -0.070 0.000 1.469 42 E HN 0.951 nan 8.360 nan 0.000 0.446 43 G N -0.602 108.164 108.800 -0.056 0.000 2.394 43 G HA2 0.031 3.994 3.960 0.004 0.000 0.215 43 G HA3 0.031 3.994 3.960 0.004 0.000 0.215 43 G C 1.611 176.483 174.900 -0.047 0.000 1.165 43 G CA 1.481 46.549 45.100 -0.054 0.000 0.784 43 G HN 0.540 nan 8.290 nan 0.000 0.535 44 A N 0.421 123.216 122.820 -0.043 0.000 1.902 44 A HA 0.037 4.360 4.320 0.004 0.000 0.217 44 A C 2.589 180.147 177.584 -0.043 0.000 1.181 44 A CA 1.904 53.916 52.037 -0.041 0.000 0.623 44 A CB -0.674 18.302 19.000 -0.040 0.000 0.818 44 A HN 0.266 nan 8.150 nan 0.000 0.443 45 V N -0.404 119.482 119.914 -0.047 0.000 2.343 45 V HA -0.319 3.804 4.120 0.004 0.000 0.247 45 V C 2.672 178.743 176.094 -0.038 0.000 1.051 45 V CA 2.321 64.594 62.300 -0.044 0.000 1.036 45 V CB -0.984 30.808 31.823 -0.052 0.000 0.654 45 V HN 0.565 nan 8.190 nan 0.000 0.451 46 Q N 0.459 120.231 119.800 -0.048 0.000 2.061 46 Q HA -0.162 4.180 4.340 0.004 0.000 0.204 46 Q C 2.511 178.500 176.000 -0.017 0.000 0.984 46 Q CA 2.194 57.973 55.803 -0.040 0.000 0.846 46 Q CB -0.570 28.132 28.738 -0.059 0.000 0.902 46 Q HN 0.653 nan 8.270 nan 0.000 0.421 47 S N -0.420 115.267 115.700 -0.021 0.000 2.400 47 S HA -0.128 4.344 4.470 0.004 0.000 0.232 47 S C 1.993 176.589 174.600 -0.008 0.000 1.025 47 S CA 1.164 59.357 58.200 -0.013 0.000 0.993 47 S CB -0.333 62.854 63.200 -0.022 0.000 0.808 47 S HN 0.167 nan 8.310 nan 0.000 0.478 48 V N 2.018 121.920 119.914 -0.019 0.000 2.407 48 V HA -0.218 3.905 4.120 0.004 0.000 0.248 48 V C 2.217 178.330 176.094 0.032 0.000 1.055 48 V CA 1.779 64.064 62.300 -0.026 0.000 1.049 48 V CB -0.682 31.115 31.823 -0.044 0.000 0.662 48 V HN 0.475 nan 8.190 nan 0.000 0.455 49 M N 0.302 119.931 119.600 0.048 0.000 2.159 49 M HA -0.078 4.405 4.480 0.004 0.000 0.263 49 M C 2.267 178.644 176.300 0.127 0.000 1.063 49 M CA 2.033 57.383 55.300 0.084 0.000 1.110 49 M CB -0.839 31.776 32.600 0.024 0.000 1.374 49 M HN 0.467 nan 8.290 nan 0.000 0.411 50 G N -0.107 108.741 108.800 0.079 0.000 2.422 50 G HA2 -0.161 3.802 3.960 0.004 0.000 0.218 50 G HA3 -0.161 3.802 3.960 0.004 0.000 0.218 50 G C 1.612 176.570 174.900 0.097 0.000 1.146 50 G CA 0.956 46.107 45.100 0.084 0.000 0.769 50 G HN 0.550 nan 8.290 nan 0.000 0.547 51 A N 0.012 122.872 122.820 0.067 0.000 1.972 51 A HA -0.018 4.305 4.320 0.004 0.000 0.219 51 A C 2.100 179.735 177.584 0.085 0.000 1.169 51 A CA 1.633 53.690 52.037 0.033 0.000 0.635 51 A CB -0.618 18.358 19.000 -0.040 0.000 0.810 51 A HN 0.526 nan 8.150 nan 0.000 0.446 52 Y N 0.380 120.701 120.300 0.035 0.000 2.081 52 Y HA -0.212 4.341 4.550 0.004 0.000 0.280 52 Y C 1.874 177.841 175.900 0.112 0.000 1.163 52 Y CA 2.141 60.303 58.100 0.103 0.000 1.135 52 Y CB -0.371 38.171 38.460 0.136 0.000 0.970 52 Y HN 0.199 nan 8.280 nan 0.000 0.498 53 L N -0.106 121.316 121.223 0.332 0.000 2.376 53 L HA -0.122 4.220 4.340 0.004 0.000 0.219 53 L C 2.300 179.225 176.870 0.090 0.000 1.133 53 L CA 0.694 55.671 54.840 0.227 0.000 0.816 53 L CB -0.445 41.786 42.059 0.287 0.000 0.933 53 L HN 0.446 nan 8.230 nan 0.000 0.449 54 L N -0.864 120.391 121.223 0.053 0.000 1.994 54 L HA -0.159 4.183 4.340 0.004 0.000 0.208 54 L C 2.269 179.116 176.870 -0.039 0.000 1.071 54 L CA 2.217 57.057 54.840 0.001 0.000 0.745 54 L CB -1.013 41.043 42.059 -0.004 0.000 0.892 54 L HN 0.069 nan 8.230 nan 0.000 0.431 55 T N -0.914 113.612 114.554 -0.047 0.000 2.564 55 T HA -0.276 4.076 4.350 0.004 0.000 0.259 55 T C 1.691 176.331 174.700 -0.101 0.000 1.087 55 T CA 2.066 64.121 62.100 -0.075 0.000 1.184 55 T CB -0.971 67.851 68.868 -0.076 0.000 0.864 55 T HN 0.549 nan 8.240 nan 0.000 0.403 56 Y N 2.057 122.208 120.300 -0.249 0.000 2.139 56 Y HA -0.187 4.365 4.550 0.004 0.000 0.282 56 Y C 2.489 178.283 175.900 -0.176 0.000 1.179 56 Y CA 1.571 59.523 58.100 -0.248 0.000 1.161 56 Y CB -0.885 37.370 38.460 -0.341 0.000 0.970 56 Y HN 0.226 nan 8.280 nan 0.000 0.511 57 G N -0.381 108.300 108.800 -0.198 0.000 2.552 57 G HA2 -0.346 3.617 3.960 0.004 0.000 0.216 57 G HA3 -0.346 3.617 3.960 0.004 0.000 0.216 57 G C 1.717 176.428 174.900 -0.316 0.000 1.240 57 G CA 1.386 46.342 45.100 -0.239 0.000 0.796 57 G HN 0.417 nan 8.290 nan 0.000 0.568 58 V N 0.626 120.401 119.914 -0.232 0.000 2.720 58 V HA -0.138 3.984 4.120 0.004 0.000 0.256 58 V C 2.917 178.919 176.094 -0.153 0.000 1.082 58 V CA 2.517 64.677 62.300 -0.234 0.000 1.101 58 V CB -0.378 31.352 31.823 -0.153 0.000 0.693 58 V HN 0.361 nan 8.190 nan 0.000 0.479 59 S N -0.626 114.952 115.700 -0.204 0.000 2.355 59 S HA -0.197 4.275 4.470 0.004 0.000 0.210 59 S C 1.836 176.354 174.600 -0.137 0.000 1.035 59 S CA 1.302 59.420 58.200 -0.137 0.000 1.011 59 S CB -0.497 62.543 63.200 -0.266 0.000 1.000 59 S HN 0.598 nan 8.310 nan 0.000 0.423 60 Q N 0.431 119.920 119.800 -0.518 0.000 2.182 60 Q HA -0.209 4.134 4.340 0.004 0.000 0.213 60 Q C 2.090 177.653 176.000 -0.729 0.000 1.000 60 Q CA 1.416 56.756 55.803 -0.771 0.000 0.889 60 Q CB -0.735 27.067 28.738 -1.560 0.000 0.932 60 Q HN 0.378 nan 8.270 nan 0.000 0.415 61 L N -0.553 120.305 121.223 -0.608 0.000 1.890 61 L HA -0.084 4.259 4.340 0.004 0.000 0.219 61 L C 2.193 179.127 176.870 0.107 0.000 1.104 61 L CA 1.629 56.351 54.840 -0.197 0.000 0.792 61 L CB -1.187 40.772 42.059 -0.168 0.000 0.887 61 L HN 0.184 nan 8.230 nan 0.000 0.432 62 F N -1.549 118.352 119.950 -0.082 0.000 2.161 62 F HA -0.291 4.238 4.527 0.005 0.000 0.300 62 F C 2.425 178.215 175.800 -0.018 0.000 1.089 62 F CA 1.160 59.137 58.000 -0.038 0.000 1.282 62 F CB -0.364 38.627 39.000 -0.015 0.000 1.010 62 F HN 0.422 nan 8.300 nan 0.000 0.485 63 Y N 1.267 121.604 120.300 0.062 0.000 2.421 63 Y HA -0.031 4.522 4.550 0.004 0.000 0.292 63 Y C 2.087 177.972 175.900 -0.025 0.000 1.136 63 Y CA 0.676 58.774 58.100 -0.004 0.000 1.255 63 Y CB -0.903 37.527 38.460 -0.051 0.000 0.991 63 Y HN -0.038 nan 8.280 nan 0.000 0.552 64 G N 1.070 109.766 108.800 -0.173 0.000 2.511 64 G HA2 -0.242 3.721 3.960 0.004 0.000 0.216 64 G HA3 -0.242 3.721 3.960 0.004 0.000 0.216 64 G C -0.433 174.338 174.900 -0.215 0.000 1.218 64 G CA 1.035 45.994 45.100 -0.235 0.000 0.788 64 G HN 0.353 nan 8.290 nan 0.000 0.560 65 P HA -0.056 nan 4.420 nan 0.000 0.217 65 P C 1.877 179.093 177.300 -0.139 0.000 1.148 65 P CA 0.802 63.834 63.100 -0.114 0.000 0.828 65 P CB -0.071 31.558 31.700 -0.118 0.000 0.783 66 I N -1.328 119.149 120.570 -0.155 0.000 2.394 66 I HA -0.207 3.965 4.170 0.004 0.000 0.251 66 I C 2.006 177.991 176.117 -0.219 0.000 1.136 66 I CA 1.313 62.537 61.300 -0.127 0.000 1.425 66 I CB -0.603 37.400 38.000 0.004 0.000 1.079 66 I HN -0.057 nan 8.210 nan 0.000 0.425 67 S N -0.235 115.192 115.700 -0.455 0.000 2.419 67 S HA -0.120 4.353 4.470 0.004 0.000 0.233 67 S C 0.661 175.153 174.600 -0.180 0.000 1.016 67 S CA 0.950 58.897 58.200 -0.421 0.000 0.974 67 S CB -0.270 62.599 63.200 -0.551 0.000 0.786 67 S HN 0.374 nan 8.310 nan 0.000 0.492 68 D N 1.220 121.533 120.400 -0.145 0.000 2.524 68 D HA 0.351 4.993 4.640 0.004 0.000 0.222 68 D C 0.872 177.137 176.300 -0.058 0.000 1.142 68 D CA -0.002 53.952 54.000 -0.077 0.000 0.973 68 D CB 0.829 41.590 40.800 -0.066 0.000 1.025 68 D HN 0.029 nan 8.370 nan 0.000 0.519 69 R N 0.252 120.728 120.500 -0.041 0.000 5.039 69 R HA 0.117 4.460 4.340 0.004 0.000 0.033 69 R C -1.186 175.106 176.300 -0.014 0.000 0.808 69 R CA 0.208 56.292 56.100 -0.027 0.000 2.108 69 R CB 0.350 30.632 30.300 -0.031 0.000 1.055 69 R HN 0.223 nan 8.270 nan 0.000 0.457 70 V N -1.569 118.340 119.914 -0.009 0.000 3.001 70 V HA 0.412 4.535 4.120 0.004 0.000 0.265 70 V C -0.799 175.305 176.094 0.018 0.000 1.881 70 V CA 0.890 63.193 62.300 0.005 0.000 0.928 70 V CB 1.323 33.148 31.823 0.004 0.000 1.374 70 V HN 0.973 nan 8.190 nan 0.000 0.440 71 G N 2.724 111.541 108.800 0.029 0.000 2.370 71 G HA2 -0.133 3.829 3.960 0.004 0.000 0.174 71 G HA3 -0.133 3.829 3.960 0.004 0.000 0.174 71 G C 0.740 175.673 174.900 0.055 0.000 1.002 71 G CA 0.816 45.941 45.100 0.042 0.000 0.730 71 G HN 0.989 nan 8.290 nan 0.000 0.497 72 R N 1.245 121.777 120.500 0.055 0.000 2.127 72 R HA -0.169 4.174 4.340 0.004 0.000 0.228 72 R C 2.871 179.186 176.300 0.025 0.000 1.125 72 R CA 2.621 58.755 56.100 0.057 0.000 0.904 72 R CB -0.354 29.974 30.300 0.047 0.000 0.831 72 R HN 0.472 nan 8.270 nan 0.000 0.431 73 R N 0.343 120.850 120.500 0.011 0.000 2.080 73 R HA -0.038 4.304 4.340 0.004 0.000 0.236 73 R C -1.045 175.253 176.300 -0.004 0.000 1.137 73 R CA 1.305 57.404 56.100 -0.003 0.000 0.943 73 R CB -2.009 28.290 30.300 -0.001 0.000 0.846 73 R HN 0.316 nan 8.270 nan 0.000 0.431 74 P HA -0.114 nan 4.420 nan 0.000 0.199 74 P C 1.544 178.835 177.300 -0.015 0.000 1.118 74 P CA 1.130 64.228 63.100 -0.003 0.000 0.913 74 P CB -0.176 31.530 31.700 0.010 0.000 0.738 75 V N -0.033 119.885 119.914 0.008 0.000 2.233 75 V HA -0.242 3.881 4.120 0.004 0.000 0.247 75 V C 2.462 178.554 176.094 -0.004 0.000 1.050 75 V CA 1.830 64.138 62.300 0.014 0.000 1.010 75 V CB -1.341 30.518 31.823 0.059 0.000 0.637 75 V HN 0.029 nan 8.190 nan 0.000 0.444 76 I N 0.735 121.319 120.570 0.022 0.000 2.032 76 I HA -0.207 3.966 4.170 0.004 0.000 0.231 76 I C 2.472 178.578 176.117 -0.018 0.000 1.035 76 I CA 2.183 63.489 61.300 0.012 0.000 1.312 76 I CB -1.529 36.490 38.000 0.032 0.000 1.041 76 I HN 0.301 nan 8.210 nan 0.000 0.390 77 L N -0.149 121.059 121.223 -0.024 0.000 2.044 77 L HA -0.012 4.330 4.340 0.004 0.000 0.205 77 L C 2.579 179.429 176.870 -0.034 0.000 1.075 77 L CA 1.475 56.298 54.840 -0.028 0.000 0.747 77 L CB -2.209 39.822 42.059 -0.046 0.000 0.903 77 L HN 0.050 nan 8.230 nan 0.000 0.435 78 V N 1.935 121.816 119.914 -0.055 0.000 2.295 78 V HA -0.151 3.971 4.120 0.004 0.000 0.246 78 V C 3.044 179.019 176.094 -0.198 0.000 1.049 78 V CA 1.957 64.208 62.300 -0.081 0.000 1.024 78 V CB -1.533 30.256 31.823 -0.058 0.000 0.648 78 V HN 0.595 nan 8.190 nan 0.000 0.447 79 G N -0.593 108.050 108.800 -0.262 0.000 2.524 79 G HA2 -0.282 3.681 3.960 0.004 0.000 0.215 79 G HA3 -0.282 3.681 3.960 0.004 0.000 0.215 79 G C 1.617 175.876 174.900 -1.068 0.000 1.239 79 G CA 1.186 45.917 45.100 -0.614 0.000 0.798 79 G HN 0.392 nan 8.290 nan 0.000 0.557 80 M N 1.563 120.881 119.600 -0.471 0.000 2.195 80 M HA -0.138 4.345 4.480 0.004 0.000 0.260 80 M C 2.961 179.198 176.300 -0.104 0.000 1.066 80 M CA 1.784 56.984 55.300 -0.167 0.000 1.089 80 M CB -0.313 32.368 32.600 0.136 0.000 1.377 80 M HN 0.483 nan 8.290 nan 0.000 0.411 81 S N 0.616 116.295 115.700 -0.034 0.000 2.345 81 S HA -0.152 4.321 4.470 0.004 0.000 0.220 81 S C 1.839 176.393 174.600 -0.077 0.000 1.031 81 S CA 1.080 59.315 58.200 0.058 0.000 0.996 81 S CB -0.903 62.407 63.200 0.184 0.000 0.882 81 S HN 0.553 nan 8.310 nan 0.000 0.445 82 I N 0.275 120.750 120.570 -0.158 0.000 2.264 82 I HA -0.161 4.011 4.170 0.004 0.000 0.248 82 I C 1.750 177.912 176.117 0.074 0.000 1.111 82 I CA 1.444 62.702 61.300 -0.070 0.000 1.382 82 I CB -0.197 37.746 38.000 -0.095 0.000 1.060 82 I HN 0.159 nan 8.210 nan 0.000 0.418 83 F N 0.853 120.804 119.950 0.000 0.000 2.216 83 F HA -0.232 4.298 4.527 0.004 0.000 0.300 83 F C 2.475 178.253 175.800 -0.036 0.000 1.085 83 F CA 1.523 59.515 58.000 -0.013 0.000 1.326 83 F CB -1.395 37.597 39.000 -0.012 0.000 1.027 83 F HN 0.252 nan 8.300 nan 0.000 0.497 84 M N -1.200 118.438 119.600 0.063 0.000 2.460 84 M HA -0.109 4.374 4.480 0.004 0.000 0.263 84 M C 1.350 177.688 176.300 0.064 0.000 1.071 84 M CA 1.509 56.789 55.300 -0.034 0.000 1.096 84 M CB -0.466 31.919 32.600 -0.359 0.000 1.408 84 M HN 0.062 nan 8.290 nan 0.000 0.463 85 L N 1.544 122.808 121.223 0.068 0.000 2.056 85 L HA 0.031 4.373 4.340 0.004 0.000 0.207 85 L C 3.022 179.943 176.870 0.086 0.000 1.078 85 L CA 2.065 56.947 54.840 0.070 0.000 0.749 85 L CB -1.337 40.757 42.059 0.059 0.000 0.901 85 L HN 0.482 nan 8.230 nan 0.000 0.433 86 A N -1.574 121.306 122.820 0.100 0.000 2.024 86 A HA -0.229 4.093 4.320 0.004 0.000 0.220 86 A C 2.274 179.916 177.584 0.096 0.000 1.164 86 A CA 2.061 54.149 52.037 0.086 0.000 0.643 86 A CB -0.968 18.080 19.000 0.080 0.000 0.806 86 A HN 0.423 nan 8.150 nan 0.000 0.451 87 T N -0.095 114.536 114.554 0.128 0.000 2.327 87 T HA -0.243 4.109 4.350 0.004 0.000 0.228 87 T C 1.764 176.620 174.700 0.261 0.000 1.459 87 T CA 2.032 64.249 62.100 0.195 0.000 1.258 87 T CB -0.545 68.481 68.868 0.263 0.000 0.865 87 T HN 0.406 nan 8.240 nan 0.000 0.390 88 L N 1.743 123.169 121.223 0.338 0.000 2.081 88 L HA -0.117 4.226 4.340 0.004 0.000 0.212 88 L C 2.530 179.481 176.870 0.135 0.000 1.080 88 L CA 1.905 56.906 54.840 0.269 0.000 0.754 88 L CB -0.884 41.184 42.059 0.014 0.000 0.893 88 L HN 0.439 nan 8.230 nan 0.000 0.433 89 V N -1.975 117.990 119.914 0.085 0.000 2.214 89 V HA -0.247 3.876 4.120 0.004 0.000 0.245 89 V C 2.565 178.693 176.094 0.056 0.000 1.047 89 V CA 1.780 64.113 62.300 0.055 0.000 0.998 89 V CB -2.154 29.693 31.823 0.040 0.000 0.633 89 V HN 0.428 nan 8.190 nan 0.000 0.446 90 A N 1.070 123.923 122.820 0.055 0.000 1.933 90 A HA -0.084 4.239 4.320 0.004 0.000 0.218 90 A C 2.293 179.904 177.584 0.046 0.000 1.175 90 A CA 2.230 54.291 52.037 0.040 0.000 0.628 90 A CB -1.090 17.928 19.000 0.029 0.000 0.814 90 A HN 1.360 nan 8.150 nan 0.000 0.444 91 V N -2.654 117.305 119.914 0.075 0.000 3.590 91 V HA 0.017 4.140 4.120 0.004 0.000 0.272 91 V C 1.338 177.482 176.094 0.083 0.000 1.233 91 V CA 1.976 64.321 62.300 0.075 0.000 1.182 91 V CB -1.276 30.602 31.823 0.092 0.000 0.901 91 V HN 0.393 nan 8.190 nan 0.000 0.485 92 T N 0.598 115.196 114.554 0.073 0.000 3.146 92 T HA 0.011 4.364 4.350 0.004 0.000 0.235 92 T C 1.801 176.521 174.700 0.033 0.000 0.985 92 T CA 1.545 63.682 62.100 0.061 0.000 1.265 92 T CB -0.297 68.603 68.868 0.054 0.000 0.946 92 T HN 0.558 nan 8.240 nan 0.000 0.418 93 T N 2.508 117.077 114.554 0.025 0.000 2.674 93 T HA -0.075 4.278 4.350 0.004 0.000 0.265 93 T C 2.107 176.812 174.700 0.009 0.000 1.039 93 T CA 1.500 63.609 62.100 0.014 0.000 1.150 93 T CB -0.453 68.422 68.868 0.011 0.000 0.864 93 T HN 0.220 nan 8.240 nan 0.000 0.427 94 S N 1.141 116.847 115.700 0.011 0.000 2.607 94 S HA 0.051 4.523 4.470 0.004 0.000 0.224 94 S C 2.133 176.733 174.600 0.001 0.000 0.969 94 S CA 0.377 58.579 58.200 0.003 0.000 0.927 94 S CB -0.341 62.860 63.200 0.000 0.000 0.772 94 S HN 0.486 nan 8.310 nan 0.000 0.533 95 S N 2.758 118.465 115.700 0.011 0.000 2.389 95 S HA -0.238 4.234 4.470 0.004 0.000 0.229 95 S C 1.912 176.506 174.600 -0.009 0.000 1.048 95 S CA 2.044 60.249 58.200 0.007 0.000 1.117 95 S CB -0.651 62.561 63.200 0.020 0.000 1.020 95 S HN 0.566 nan 8.310 nan 0.000 0.430 96 L N 1.086 122.305 121.223 -0.007 0.000 1.933 96 L HA 0.047 4.390 4.340 0.004 0.000 0.220 96 L C 1.441 178.300 176.870 -0.017 0.000 1.078 96 L CA 1.979 56.811 54.840 -0.013 0.000 0.773 96 L CB -2.211 39.842 42.059 -0.010 0.000 0.890 96 L HN 0.135 nan 8.230 nan 0.000 0.434 97 T N 1.654 116.200 114.554 -0.014 0.000 2.741 97 T HA 0.024 4.376 4.350 0.004 0.000 0.237 97 T C 1.013 175.699 174.700 -0.023 0.000 1.065 97 T CA 0.922 63.012 62.100 -0.017 0.000 1.560 97 T CB -0.777 68.084 68.868 -0.013 0.000 1.071 97 T HN 0.511 nan 8.240 nan 0.000 0.542 98 V N 3.800 123.696 119.914 -0.029 0.000 2.164 98 V HA -0.225 3.897 4.120 0.004 0.000 0.096 98 V C 1.192 177.261 176.094 -0.043 0.000 0.463 98 V CA 1.122 63.400 62.300 -0.037 0.000 1.355 98 V CB -0.820 30.982 31.823 -0.036 0.000 1.598 98 V HN 0.773 nan 8.190 nan 0.000 0.903 99 L N -0.184 121.017 121.223 -0.036 0.000 2.463 99 L HA 0.125 4.467 4.340 0.004 0.000 0.219 99 L C 2.161 179.001 176.870 -0.051 0.000 1.088 99 L CA 1.658 56.477 54.840 -0.035 0.000 0.849 99 L CB -0.032 42.019 42.059 -0.013 0.000 1.012 99 L HN 0.666 nan 8.230 nan 0.000 0.468 100 I N -2.074 118.464 120.570 -0.053 0.000 2.493 100 I HA -0.106 4.066 4.170 0.004 0.000 0.254 100 I C 2.312 178.369 176.117 -0.100 0.000 1.160 100 I CA 1.335 62.590 61.300 -0.075 0.000 1.445 100 I CB -1.714 36.247 38.000 -0.065 0.000 1.086 100 I HN 0.018 nan 8.210 nan 0.000 0.433 101 A N 2.009 124.779 122.820 -0.083 0.000 1.841 101 A HA 0.086 4.408 4.320 0.004 0.000 0.214 101 A C 2.651 180.170 177.584 -0.109 0.000 1.195 101 A CA 2.291 54.272 52.037 -0.095 0.000 0.611 101 A CB -1.192 17.766 19.000 -0.071 0.000 0.835 101 A HN 0.524 nan 8.150 nan 0.000 0.443 102 A N -0.277 122.491 122.820 -0.086 0.000 1.892 102 A HA -0.142 4.180 4.320 0.004 0.000 0.218 102 A C 2.457 179.986 177.584 -0.093 0.000 1.188 102 A CA 2.407 54.396 52.037 -0.080 0.000 0.631 102 A CB -1.095 17.866 19.000 -0.064 0.000 0.822 102 A HN 0.489 nan 8.150 nan 0.000 0.447 103 S N 0.023 115.657 115.700 -0.110 0.000 2.359 103 S HA -0.139 4.334 4.470 0.004 0.000 0.222 103 S C 2.377 176.855 174.600 -0.204 0.000 1.038 103 S CA 1.563 59.673 58.200 -0.150 0.000 1.051 103 S CB -0.806 62.280 63.200 -0.191 0.000 0.944 103 S HN 0.897 nan 8.310 nan 0.000 0.433 104 A N 2.189 124.832 122.820 -0.296 0.000 1.873 104 A HA -0.197 4.125 4.320 0.004 0.000 0.218 104 A C 2.157 179.384 177.584 -0.595 0.000 1.193 104 A CA 2.034 53.703 52.037 -0.613 0.000 0.629 104 A CB -0.778 17.884 19.000 -0.563 0.000 0.826 104 A HN 0.404 nan 8.150 nan 0.000 0.447 105 M N -0.897 118.520 119.600 -0.304 0.000 2.073 105 M HA -0.187 4.296 4.480 0.004 0.000 0.258 105 M C 2.141 178.409 176.300 -0.053 0.000 1.070 105 M CA 2.016 57.216 55.300 -0.167 0.000 1.103 105 M CB -1.178 31.362 32.600 -0.099 0.000 1.321 105 M HN 0.432 nan 8.290 nan 0.000 0.405 106 Q N -0.368 119.426 119.800 -0.010 0.000 2.197 106 Q HA -0.082 4.260 4.340 0.004 0.000 0.207 106 Q C 2.054 178.181 176.000 0.212 0.000 0.984 106 Q CA 1.773 57.634 55.803 0.096 0.000 0.869 106 Q CB -1.471 27.314 28.738 0.077 0.000 0.906 106 Q HN 0.711 nan 8.270 nan 0.000 0.426 107 G N 0.568 109.508 108.800 0.233 0.000 2.459 107 G HA2 -0.292 3.671 3.960 0.004 0.000 0.217 107 G HA3 -0.292 3.671 3.960 0.004 0.000 0.217 107 G C 1.383 176.513 174.900 0.383 0.000 1.183 107 G CA 1.127 46.491 45.100 0.439 0.000 0.776 107 G HN 0.336 nan 8.290 nan 0.000 0.552 108 M N 2.061 121.927 119.600 0.444 0.000 2.549 108 M HA 0.162 4.645 4.480 0.004 0.000 0.260 108 M C 2.292 178.640 176.300 0.079 0.000 1.076 108 M CA 0.963 56.414 55.300 0.252 0.000 1.090 108 M CB -0.647 32.071 32.600 0.198 0.000 1.418 108 M HN 0.149 nan 8.290 nan 0.000 0.486 109 G N -1.156 107.698 108.800 0.090 0.000 2.421 109 G HA2 -0.199 3.763 3.960 0.004 0.000 0.216 109 G HA3 -0.199 3.763 3.960 0.004 0.000 0.216 109 G C 1.352 176.246 174.900 -0.010 0.000 1.171 109 G CA 1.318 46.436 45.100 0.030 0.000 0.775 109 G HN 0.512 nan 8.290 nan 0.000 0.543 110 T N 0.983 115.559 114.554 0.037 0.000 2.881 110 T HA -0.023 4.330 4.350 0.004 0.000 0.270 110 T C 2.436 177.089 174.700 -0.078 0.000 1.068 110 T CA 1.205 63.261 62.100 -0.073 0.000 1.131 110 T CB -0.467 68.277 68.868 -0.207 0.000 0.871 110 T HN 0.325 nan 8.240 nan 0.000 0.479 111 G N 1.376 110.157 108.800 -0.033 0.000 2.432 111 G HA2 -0.155 3.807 3.960 0.004 0.000 0.219 111 G HA3 -0.155 3.807 3.960 0.004 0.000 0.219 111 G C 1.627 176.485 174.900 -0.070 0.000 1.135 111 G CA 0.762 45.843 45.100 -0.033 0.000 0.767 111 G HN 0.475 nan 8.290 nan 0.000 0.550 112 V N 1.608 121.438 119.914 -0.139 0.000 2.392 112 V HA -0.106 4.016 4.120 0.004 0.000 0.249 112 V C 3.139 179.060 176.094 -0.289 0.000 1.059 112 V CA 1.897 64.018 62.300 -0.299 0.000 1.051 112 V CB -1.127 30.386 31.823 -0.516 0.000 0.658 112 V HN 0.427 nan 8.190 nan 0.000 0.455 113 G N 0.305 108.988 108.800 -0.195 0.000 2.442 113 G HA2 -0.193 3.769 3.960 0.004 0.000 0.219 113 G HA3 -0.193 3.769 3.960 0.004 0.000 0.219 113 G C 1.619 176.500 174.900 -0.031 0.000 1.141 113 G CA 0.986 46.031 45.100 -0.093 0.000 0.763 113 G HN 0.599 nan 8.290 nan 0.000 0.554 114 G N 0.338 109.113 108.800 -0.041 0.000 2.432 114 G HA2 -0.128 3.834 3.960 0.004 0.000 0.219 114 G HA3 -0.128 3.834 3.960 0.004 0.000 0.219 114 G C 1.758 176.671 174.900 0.020 0.000 1.135 114 G CA 1.128 46.221 45.100 -0.011 0.000 0.767 114 G HN 0.337 nan 8.290 nan 0.000 0.550 115 V N 0.681 120.619 119.914 0.041 0.000 2.233 115 V HA -0.241 3.881 4.120 0.004 0.000 0.247 115 V C 2.732 178.908 176.094 0.136 0.000 1.050 115 V CA 2.268 64.629 62.300 0.102 0.000 1.010 115 V CB -0.444 31.459 31.823 0.133 0.000 0.637 115 V HN 0.358 nan 8.190 nan 0.000 0.444 116 M N 0.134 119.854 119.600 0.199 0.000 2.202 116 M HA -0.115 4.367 4.480 0.004 0.000 0.262 116 M C 2.032 178.398 176.300 0.110 0.000 1.063 116 M CA 1.853 57.265 55.300 0.187 0.000 1.097 116 M CB -0.849 31.887 32.600 0.226 0.000 1.382 116 M HN 0.343 nan 8.290 nan 0.000 0.413 117 A N 0.533 123.394 122.820 0.069 0.000 1.883 117 A HA -0.251 4.071 4.320 0.004 0.000 0.217 117 A C 2.118 179.714 177.584 0.019 0.000 1.186 117 A CA 2.246 54.302 52.037 0.032 0.000 0.624 117 A CB -0.788 18.215 19.000 0.004 0.000 0.822 117 A HN 0.681 nan 8.150 nan 0.000 0.444 118 R N -0.796 119.701 120.500 -0.005 0.000 2.120 118 R HA -0.084 4.258 4.340 0.004 0.000 0.234 118 R C 1.828 178.173 176.300 0.076 0.000 1.123 118 R CA 1.962 58.021 56.100 -0.069 0.000 0.975 118 R CB -1.432 28.755 30.300 -0.189 0.000 0.866 118 R HN 0.350 nan 8.270 nan 0.000 0.446 119 T N 2.156 116.805 114.554 0.159 0.000 2.569 119 T HA -0.104 4.249 4.350 0.004 0.000 0.263 119 T C 1.947 176.743 174.700 0.161 0.000 1.074 119 T CA 1.637 63.882 62.100 0.241 0.000 1.176 119 T CB -0.343 68.653 68.868 0.215 0.000 0.863 119 T HN 0.110 nan 8.240 nan 0.000 0.410 120 L N 0.917 122.199 121.223 0.099 0.000 1.990 120 L HA -0.096 4.246 4.340 0.004 0.000 0.213 120 L C -0.432 176.470 176.870 0.053 0.000 1.072 120 L CA 1.625 56.496 54.840 0.052 0.000 0.755 120 L CB -1.706 40.374 42.059 0.036 0.000 0.889 120 L HN 0.203 nan 8.230 nan 0.000 0.432 121 P HA -0.169 nan 4.420 nan 0.000 0.220 121 P C 1.426 178.806 177.300 0.134 0.000 1.144 121 P CA 1.201 64.341 63.100 0.067 0.000 0.800 121 P CB -0.121 31.601 31.700 0.037 0.000 0.772 122 R N -0.595 120.017 120.500 0.187 0.000 2.115 122 R HA -0.120 4.222 4.340 0.004 0.000 0.230 122 R C 1.471 177.941 176.300 0.283 0.000 1.111 122 R CA 1.340 57.639 56.100 0.331 0.000 0.976 122 R CB -0.713 29.827 30.300 0.401 0.000 0.870 122 R HN 0.232 nan 8.270 nan 0.000 0.445 123 D N 0.759 121.228 120.400 0.114 0.000 2.117 123 D HA -0.167 4.475 4.640 0.004 0.000 0.197 123 D C 1.723 178.011 176.300 -0.021 0.000 0.987 123 D CA 0.721 54.715 54.000 -0.011 0.000 0.829 123 D CB -0.179 40.561 40.800 -0.100 0.000 0.961 123 D HN 0.033 nan 8.370 nan 0.000 0.460 124 L N 0.342 121.583 121.223 0.031 0.000 2.187 124 L HA -0.187 4.156 4.340 0.004 0.000 0.213 124 L C 2.068 178.998 176.870 0.099 0.000 1.100 124 L CA 1.390 56.254 54.840 0.041 0.000 0.765 124 L CB -0.818 41.276 42.059 0.059 0.000 0.904 124 L HN 0.162 nan 8.230 nan 0.000 0.437 125 Y N 0.577 120.917 120.300 0.066 0.000 2.181 125 Y HA -0.239 4.314 4.550 0.004 0.000 0.288 125 Y C 2.381 178.323 175.900 0.070 0.000 1.146 125 Y CA 1.939 60.099 58.100 0.099 0.000 1.164 125 Y CB -0.887 37.659 38.460 0.142 0.000 0.982 125 Y HN 0.472 nan 8.280 nan 0.000 0.515 126 E N 0.445 120.302 120.200 -0.573 0.000 2.273 126 E HA -0.296 4.056 4.350 0.004 0.000 0.198 126 E C 2.342 178.783 176.600 -0.266 0.000 1.002 126 E CA 1.087 57.122 56.400 -0.608 0.000 0.828 126 E CB -0.227 29.234 29.700 -0.399 0.000 0.747 126 E HN 0.585 nan 8.360 nan 0.000 0.491 127 R N -0.793 119.629 120.500 -0.130 0.000 2.115 127 R HA -0.053 4.290 4.340 0.004 0.000 0.230 127 R C 0.609 176.903 176.300 -0.011 0.000 1.111 127 R CA 1.768 57.836 56.100 -0.053 0.000 0.976 127 R CB 0.231 30.522 30.300 -0.016 0.000 0.870 127 R HN 0.129 nan 8.270 nan 0.000 0.445 128 T N -2.654 111.920 114.554 0.033 0.000 2.168 128 T HA 0.031 4.383 4.350 0.004 0.000 0.169 128 T C -0.020 174.772 174.700 0.154 0.000 0.707 128 T CA -0.511 61.638 62.100 0.082 0.000 1.189 128 T CB 0.100 69.028 68.868 0.100 0.000 2.706 128 T HN 0.012 nan 8.240 nan 0.000 0.405 129 Q N 0.496 120.428 119.800 0.220 0.000 2.159 129 Q HA 0.386 4.728 4.340 0.004 0.000 0.217 129 Q C -0.434 175.807 176.000 0.402 0.000 0.818 129 Q CA -0.079 55.895 55.803 0.286 0.000 1.008 129 Q CB 0.015 28.895 28.738 0.235 0.000 1.148 129 Q HN 0.463 nan 8.270 nan 0.000 0.491 130 L N 0.868 122.344 121.223 0.421 0.000 2.483 130 L HA 0.106 4.449 4.340 0.004 0.000 0.275 130 L C 1.189 178.286 176.870 0.378 0.000 1.220 130 L CA -0.047 55.062 54.840 0.449 0.000 0.833 130 L CB 0.248 42.519 42.059 0.354 0.000 1.102 130 L HN 0.152 nan 8.230 nan 0.000 0.490 131 R N 0.121 120.848 120.500 0.379 0.000 2.437 131 R HA 0.150 4.492 4.340 0.004 0.000 0.184 131 R C 0.667 177.098 176.300 0.220 0.000 0.850 131 R CA 0.278 56.408 56.100 0.050 0.000 1.073 131 R CB 0.162 30.346 30.300 -0.193 0.000 1.336 131 R HN 0.745 nan 8.270 nan 0.000 0.640 132 H N -1.325 117.859 119.070 0.189 0.000 1.947 132 H HA 0.304 4.862 4.556 0.004 0.000 0.128 132 H C 1.238 176.653 175.328 0.145 0.000 0.904 132 H CA 0.714 56.838 56.048 0.126 0.000 0.522 132 H CB -0.375 29.425 29.762 0.062 0.000 0.446 132 H HN 0.086 nan 8.280 nan 0.000 0.300 133 A N 2.078 125.074 122.820 0.294 0.000 1.940 133 A HA -0.345 3.978 4.320 0.004 0.000 0.221 133 A C 2.129 179.750 177.584 0.062 0.000 1.190 133 A CA 2.292 54.420 52.037 0.152 0.000 0.647 133 A CB -0.778 18.255 19.000 0.054 0.000 0.821 133 A HN 0.751 nan 8.150 nan 0.000 0.457 134 N N 0.324 119.056 118.700 0.054 0.000 2.020 134 N HA -0.253 4.489 4.740 0.004 0.000 0.200 134 N C 1.928 177.444 175.510 0.010 0.000 1.054 134 N CA 2.167 55.234 53.050 0.029 0.000 0.874 134 N CB -1.142 37.380 38.487 0.058 0.000 1.075 134 N HN 0.430 nan 8.380 nan 0.000 0.446 135 S N 0.611 116.300 115.700 -0.018 0.000 2.368 135 S HA 0.055 4.528 4.470 0.004 0.000 0.225 135 S C 2.168 176.753 174.600 -0.025 0.000 1.030 135 S CA 0.537 58.715 58.200 -0.038 0.000 0.999 135 S CB -0.356 62.793 63.200 -0.084 0.000 0.844 135 S HN 0.342 nan 8.310 nan 0.000 0.459 136 L N 0.854 122.062 121.223 -0.025 0.000 2.131 136 L HA -0.057 4.285 4.340 0.004 0.000 0.210 136 L C 2.294 179.215 176.870 0.085 0.000 1.092 136 L CA 0.811 55.686 54.840 0.059 0.000 0.759 136 L CB -0.398 41.738 42.059 0.128 0.000 0.903 136 L HN 0.362 nan 8.230 nan 0.000 0.435 137 L N -0.248 121.009 121.223 0.057 0.000 2.056 137 L HA -0.222 4.120 4.340 0.004 0.000 0.207 137 L C 2.352 179.236 176.870 0.022 0.000 1.078 137 L CA 1.386 56.250 54.840 0.040 0.000 0.749 137 L CB -0.611 41.460 42.059 0.021 0.000 0.901 137 L HN 0.412 nan 8.230 nan 0.000 0.433 138 N N 0.674 119.383 118.700 0.014 0.000 2.011 138 N HA -0.274 4.468 4.740 0.004 0.000 0.199 138 N C 1.840 177.352 175.510 0.005 0.000 1.047 138 N CA 2.203 55.256 53.050 0.004 0.000 0.863 138 N CB -0.241 38.245 38.487 -0.001 0.000 1.056 138 N HN 0.135 nan 8.380 nan 0.000 0.427 139 M N -0.420 119.188 119.600 0.013 0.000 2.126 139 M HA -0.043 4.439 4.480 0.004 0.000 0.259 139 M C 2.400 178.713 176.300 0.022 0.000 1.073 139 M CA 1.988 57.298 55.300 0.017 0.000 1.103 139 M CB -1.194 31.428 32.600 0.036 0.000 1.284 139 M HN 0.444 nan 8.290 nan 0.000 0.420 140 G N 1.125 109.948 108.800 0.039 0.000 2.624 140 G HA2 -0.281 3.682 3.960 0.004 0.000 0.221 140 G HA3 -0.281 3.682 3.960 0.004 0.000 0.221 140 G C 1.411 176.297 174.900 -0.022 0.000 1.169 140 G CA 1.253 46.361 45.100 0.014 0.000 0.771 140 G HN 0.303 nan 8.290 nan 0.000 0.598 141 I N 0.807 121.368 120.570 -0.015 0.000 2.099 141 I HA -0.102 4.070 4.170 0.004 0.000 0.239 141 I C 3.002 179.104 176.117 -0.026 0.000 1.066 141 I CA 1.048 62.334 61.300 -0.023 0.000 1.324 141 I CB -1.102 36.891 38.000 -0.012 0.000 1.037 141 I HN 0.179 nan 8.210 nan 0.000 0.401 142 L N -0.114 121.099 121.223 -0.016 0.000 2.089 142 L HA -0.263 4.079 4.340 0.004 0.000 0.213 142 L C 2.513 179.369 176.870 -0.024 0.000 1.079 142 L CA 1.089 55.920 54.840 -0.014 0.000 0.758 142 L CB -0.730 41.321 42.059 -0.012 0.000 0.891 142 L HN 0.086 nan 8.230 nan 0.000 0.433 143 V N -0.390 119.503 119.914 -0.035 0.000 2.214 143 V HA -0.321 3.802 4.120 0.004 0.000 0.244 143 V C 2.503 178.541 176.094 -0.092 0.000 1.045 143 V CA 2.013 64.277 62.300 -0.061 0.000 0.993 143 V CB -1.331 30.454 31.823 -0.063 0.000 0.633 143 V HN 0.611 nan 8.190 nan 0.000 0.449 144 S N 2.537 118.163 115.700 -0.124 0.000 2.422 144 S HA -0.242 4.231 4.470 0.004 0.000 0.248 144 S C 0.208 174.757 174.600 -0.084 0.000 1.069 144 S CA 2.197 60.316 58.200 -0.135 0.000 1.214 144 S CB -2.724 60.395 63.200 -0.134 0.000 1.122 144 S HN 0.634 nan 8.310 nan 0.000 0.432 145 P HA 0.004 nan 4.420 nan 0.000 0.213 145 P C 1.783 179.073 177.300 -0.017 0.000 1.170 145 P CA 0.853 63.936 63.100 -0.029 0.000 0.889 145 P CB -0.297 31.394 31.700 -0.015 0.000 0.782 146 L N -0.774 120.445 121.223 -0.006 0.000 2.064 146 L HA -0.190 4.152 4.340 0.004 0.000 0.216 146 L C 2.709 179.586 176.870 0.011 0.000 1.077 146 L CA 1.780 56.628 54.840 0.015 0.000 0.766 146 L CB -1.906 40.170 42.059 0.028 0.000 0.890 146 L HN 0.022 nan 8.230 nan 0.000 0.435 147 L N -0.899 120.313 121.223 -0.018 0.000 2.027 147 L HA -0.142 4.200 4.340 0.004 0.000 0.206 147 L C 2.803 179.655 176.870 -0.030 0.000 1.074 147 L CA 1.810 56.632 54.840 -0.030 0.000 0.745 147 L CB -1.568 40.443 42.059 -0.080 0.000 0.898 147 L HN 0.232 nan 8.230 nan 0.000 0.433 148 A N 1.156 123.952 122.820 -0.041 0.000 1.837 148 A HA -0.154 4.168 4.320 0.004 0.000 0.216 148 A C -0.344 177.237 177.584 -0.006 0.000 1.210 148 A CA 1.735 53.753 52.037 -0.032 0.000 0.632 148 A CB -2.055 16.927 19.000 -0.030 0.000 0.843 148 A HN 0.284 nan 8.150 nan 0.000 0.448 149 P HA 0.030 nan 4.420 nan 0.000 0.244 149 P C 1.053 178.370 177.300 0.028 0.000 1.211 149 P CA 0.266 63.376 63.100 0.016 0.000 0.760 149 P CB 0.059 31.770 31.700 0.017 0.000 0.961 150 L N -1.028 120.213 121.223 0.031 0.000 1.972 150 L HA -0.048 4.294 4.340 0.004 0.000 0.209 150 L C 2.088 178.992 176.870 0.057 0.000 1.125 150 L CA 1.250 56.124 54.840 0.058 0.000 0.784 150 L CB -0.527 41.572 42.059 0.067 0.000 0.902 150 L HN -0.154 nan 8.230 nan 0.000 0.444 151 I N -0.277 120.322 120.570 0.048 0.000 2.226 151 I HA -0.208 3.964 4.170 0.004 0.000 0.245 151 I C 2.400 178.530 176.117 0.022 0.000 1.100 151 I CA 1.364 62.690 61.300 0.043 0.000 1.374 151 I CB -0.822 37.195 38.000 0.029 0.000 1.057 151 I HN 0.504 nan 8.210 nan 0.000 0.413 152 G N 0.325 109.131 108.800 0.009 0.000 2.470 152 G HA2 -0.145 3.818 3.960 0.004 0.000 0.220 152 G HA3 -0.145 3.818 3.960 0.004 0.000 0.220 152 G C 1.600 176.509 174.900 0.015 0.000 1.121 152 G CA 0.772 45.876 45.100 0.006 0.000 0.766 152 G HN 0.505 nan 8.290 nan 0.000 0.553 153 G N 0.135 108.948 108.800 0.021 0.000 2.464 153 G HA2 0.017 3.979 3.960 0.004 0.000 0.214 153 G HA3 0.017 3.979 3.960 0.004 0.000 0.214 153 G C 0.662 175.575 174.900 0.021 0.000 1.218 153 G CA 0.462 45.576 45.100 0.024 0.000 0.794 153 G HN 0.289 nan 8.290 nan 0.000 0.542 154 L N 0.903 122.140 121.223 0.023 0.000 2.725 154 L HA 0.498 4.841 4.340 0.004 0.000 0.270 154 L C 0.498 177.367 176.870 -0.002 0.000 1.422 154 L CA -0.245 54.600 54.840 0.009 0.000 0.770 154 L CB -0.493 41.571 42.059 0.009 0.000 1.081 154 L HN 0.295 nan 8.230 nan 0.000 0.527 155 L N -0.397 120.828 121.223 0.004 0.000 7.212 155 L HA -0.309 4.034 4.340 0.004 0.000 0.055 155 L C 0.230 177.110 176.870 0.016 0.000 1.466 155 L CA 0.785 55.626 54.840 0.002 0.000 1.613 155 L CB -0.200 41.850 42.059 -0.015 0.000 2.769 155 L HN 0.418 nan 8.230 nan 0.000 1.110 156 D N 1.329 121.736 120.400 0.012 0.000 2.503 156 D HA 0.016 4.658 4.640 0.004 0.000 0.280 156 D C 0.439 176.765 176.300 0.044 0.000 1.405 156 D CA 1.048 55.075 54.000 0.044 0.000 1.049 156 D CB -0.066 40.748 40.800 0.023 0.000 1.127 156 D HN 0.507 nan 8.370 nan 0.000 0.551 157 T N 0.843 115.473 114.554 0.127 0.000 4.475 157 T HA 0.074 4.427 4.350 0.004 0.000 0.254 157 T C 1.804 176.611 174.700 0.178 0.000 1.160 157 T CA -0.716 61.473 62.100 0.149 0.000 1.091 157 T CB 0.065 69.056 68.868 0.205 0.000 1.377 157 T HN 0.096 nan 8.240 nan 0.000 1.057 158 M N 1.422 120.974 119.600 -0.081 0.000 2.334 158 M HA 0.038 4.521 4.480 0.004 0.000 0.265 158 M C 2.193 178.117 176.300 -0.627 0.000 1.085 158 M CA 1.636 56.632 55.300 -0.506 0.000 1.093 158 M CB -1.371 30.996 32.600 -0.390 0.000 1.237 158 M HN 0.886 nan 8.290 nan 0.000 0.457 159 W N 2.071 123.105 121.300 -0.444 0.000 2.611 159 W HA -0.045 4.618 4.660 0.004 0.000 0.251 159 W C 1.144 177.526 176.519 -0.229 0.000 1.265 159 W CA 0.491 57.621 57.345 -0.358 0.000 1.295 159 W CB -2.321 27.008 29.460 -0.219 0.000 1.129 159 W HN 0.341 nan 8.180 nan 0.000 0.630 160 N N 0.633 119.538 118.700 0.342 0.000 2.135 160 N HA -0.109 4.633 4.740 0.004 0.000 0.186 160 N C 1.328 176.984 175.510 0.244 0.000 1.027 160 N CA 2.316 55.535 53.050 0.282 0.000 0.849 160 N CB -1.558 37.078 38.487 0.248 0.000 1.002 160 N HN 0.455 nan 8.380 nan 0.000 0.425 161 W N 2.429 123.833 121.300 0.175 0.000 2.402 161 W HA 0.108 4.770 4.660 0.004 0.000 0.286 161 W C 1.376 178.003 176.519 0.178 0.000 1.221 161 W CA 0.488 57.929 57.345 0.161 0.000 1.257 161 W CB -0.453 29.086 29.460 0.131 0.000 1.120 161 W HN -0.162 nan 8.180 nan 0.000 0.551 162 R N 1.326 121.784 120.500 -0.070 0.000 2.083 162 R HA -0.128 4.215 4.340 0.004 0.000 0.237 162 R C 2.441 178.832 176.300 0.151 0.000 1.137 162 R CA 2.108 58.198 56.100 -0.017 0.000 0.951 162 R CB -1.726 28.465 30.300 -0.181 0.000 0.851 162 R HN 0.421 nan 8.270 nan 0.000 0.434 163 A N 1.018 123.898 122.820 0.100 0.000 1.828 163 A HA -0.200 4.123 4.320 0.004 0.000 0.215 163 A C 2.686 180.471 177.584 0.335 0.000 1.203 163 A CA 1.638 53.742 52.037 0.110 0.000 0.614 163 A CB -1.342 17.617 19.000 -0.069 0.000 0.844 163 A HN 0.426 nan 8.150 nan 0.000 0.445 164 C N -2.254 117.249 119.300 0.338 0.000 2.349 164 C HA -0.215 4.248 4.460 0.004 0.000 0.274 164 C C 2.477 177.682 174.990 0.358 0.000 1.178 164 C CA 1.542 60.804 59.018 0.406 0.000 1.769 164 C CB -1.523 26.397 27.740 0.301 0.000 2.047 164 C HN 0.693 nan 8.230 nan 0.000 0.448 165 Y N 0.274 120.715 120.300 0.235 0.000 2.060 165 Y HA -0.117 4.435 4.550 0.004 0.000 0.276 165 Y C 2.363 178.336 175.900 0.121 0.000 1.127 165 Y CA 1.691 59.890 58.100 0.166 0.000 1.104 165 Y CB -0.978 37.608 38.460 0.210 0.000 0.983 165 Y HN 0.175 nan 8.280 nan 0.000 0.483 166 L N 0.061 121.611 121.223 0.546 0.000 1.956 166 L HA -0.292 4.050 4.340 0.004 0.000 0.216 166 L C 2.630 179.630 176.870 0.216 0.000 1.073 166 L CA 2.694 57.746 54.840 0.353 0.000 0.762 166 L CB -1.694 40.507 42.059 0.238 0.000 0.889 166 L HN 0.537 nan 8.230 nan 0.000 0.433 167 F N -0.037 119.963 119.950 0.082 0.000 2.065 167 F HA -0.307 4.223 4.527 0.004 0.000 0.298 167 F C 2.249 178.058 175.800 0.015 0.000 1.112 167 F CA 1.689 59.708 58.000 0.031 0.000 1.212 167 F CB -0.583 38.423 39.000 0.010 0.000 0.975 167 F HN 0.076 nan 8.300 nan 0.000 0.476 168 L N 0.403 121.220 121.223 -0.676 0.000 2.093 168 L HA -0.090 4.252 4.340 0.004 0.000 0.208 168 L C 2.345 178.980 176.870 -0.392 0.000 1.085 168 L CA 1.589 55.975 54.840 -0.756 0.000 0.755 168 L CB -1.310 40.492 42.059 -0.428 0.000 0.904 168 L HN 0.494 nan 8.230 nan 0.000 0.435 169 L N -0.826 120.245 121.223 -0.254 0.000 2.027 169 L HA -0.133 4.209 4.340 0.004 0.000 0.206 169 L C 2.374 179.165 176.870 -0.131 0.000 1.074 169 L CA 1.630 56.349 54.840 -0.202 0.000 0.745 169 L CB -0.223 41.708 42.059 -0.213 0.000 0.898 169 L HN 0.192 nan 8.230 nan 0.000 0.433 170 V N -2.448 117.418 119.914 -0.080 0.000 2.759 170 V HA -0.197 3.925 4.120 0.004 0.000 0.256 170 V C 2.272 178.322 176.094 -0.074 0.000 1.080 170 V CA 1.437 63.711 62.300 -0.043 0.000 1.101 170 V CB -0.768 31.063 31.823 0.013 0.000 0.698 170 V HN 0.469 nan 8.190 nan 0.000 0.477 171 L N -0.407 120.720 121.223 -0.160 0.000 2.027 171 L HA -0.158 4.184 4.340 0.004 0.000 0.206 171 L C 2.851 179.641 176.870 -0.133 0.000 1.074 171 L CA 2.167 56.905 54.840 -0.170 0.000 0.745 171 L CB -0.472 41.379 42.059 -0.347 0.000 0.898 171 L HN 0.623 nan 8.230 nan 0.000 0.433 172 C N -0.149 119.054 119.300 -0.162 0.000 2.413 172 C HA -0.237 4.225 4.460 0.004 0.000 0.278 172 C C 3.082 178.001 174.990 -0.120 0.000 1.224 172 C CA 1.096 60.029 59.018 -0.142 0.000 1.732 172 C CB -0.902 26.750 27.740 -0.147 0.000 2.050 172 C HN 0.624 nan 8.230 nan 0.000 0.463 173 A N 0.517 123.283 122.820 -0.091 0.000 1.884 173 A HA -0.054 4.268 4.320 0.004 0.000 0.219 173 A C 2.549 180.119 177.584 -0.024 0.000 1.197 173 A CA 2.633 54.636 52.037 -0.057 0.000 0.637 173 A CB -1.753 17.227 19.000 -0.032 0.000 0.827 173 A HN 0.866 nan 8.150 nan 0.000 0.450 174 G N -1.323 107.475 108.800 -0.003 0.000 2.485 174 G HA2 -0.050 3.913 3.960 0.004 0.000 0.221 174 G HA3 -0.050 3.913 3.960 0.004 0.000 0.221 174 G C 1.122 176.088 174.900 0.110 0.000 1.115 174 G CA 1.527 46.658 45.100 0.052 0.000 0.751 174 G HN 0.628 nan 8.290 nan 0.000 0.567 175 V N 0.798 120.719 119.914 0.012 0.000 3.528 175 V HA 0.074 4.197 4.120 0.004 0.000 0.294 175 V C 2.453 178.245 176.094 -0.504 0.000 1.404 175 V CA 1.270 63.562 62.300 -0.013 0.000 1.065 175 V CB 0.064 31.880 31.823 -0.013 0.000 0.904 175 V HN 0.493 nan 8.190 nan 0.000 0.435 176 T N -1.218 113.060 114.554 -0.460 0.000 2.901 176 T HA -0.063 4.289 4.350 0.004 0.000 0.252 176 T C 1.308 175.443 174.700 -0.942 0.000 1.035 176 T CA 0.860 62.585 62.100 -0.624 0.000 1.142 176 T CB -0.627 68.080 68.868 -0.269 0.000 0.869 176 T HN 0.758 nan 8.240 nan 0.000 0.442 177 F N 1.754 121.702 119.950 -0.004 0.000 2.978 177 F HA -0.113 4.417 4.527 0.004 0.000 0.248 177 F C -0.080 175.715 175.800 -0.007 0.000 0.994 177 F CA 0.020 58.016 58.000 -0.006 0.000 0.849 177 F CB -2.832 36.164 39.000 -0.008 0.000 0.737 177 F HN 0.408 nan 8.300 nan 0.000 0.800 178 S N 0.901 116.616 115.700 0.026 0.000 2.540 178 S HA 0.707 5.180 4.470 0.004 0.000 0.275 178 S C 0.727 175.336 174.600 0.015 0.000 1.123 178 S CA -0.435 57.785 58.200 0.034 0.000 0.907 178 S CB 1.213 64.404 63.200 -0.015 0.000 1.081 178 S HN 0.476 nan 8.310 nan 0.000 0.476 179 M N 2.925 122.538 119.600 0.022 0.000 2.276 179 M HA 0.508 4.990 4.480 0.004 0.000 0.262 179 M C 0.507 176.819 176.300 0.020 0.000 1.098 179 M CA 1.524 56.834 55.300 0.017 0.000 1.167 179 M CB -1.411 31.198 32.600 0.014 0.000 1.337 179 M HN 1.340 nan 8.290 nan 0.000 0.446 180 A N 1.467 124.300 122.820 0.022 0.000 1.164 180 A HA 0.422 4.745 4.320 0.004 0.000 0.201 180 A C -0.744 176.862 177.584 0.037 0.000 1.406 180 A CA -0.700 51.360 52.037 0.038 0.000 1.320 180 A CB -0.487 18.533 19.000 0.033 0.000 0.447 180 A HN 0.517 nan 8.150 nan 0.000 0.624 181 R N 0.320 120.849 120.500 0.048 0.000 2.875 181 R HA 0.698 5.041 4.340 0.004 0.000 0.251 181 R C 0.189 176.598 176.300 0.181 0.000 1.123 181 R CA -0.612 55.500 56.100 0.020 0.000 1.064 181 R CB 0.567 30.793 30.300 -0.122 0.000 1.205 181 R HN 0.917 nan 8.270 nan 0.000 0.503 182 W N 0.022 121.323 121.300 0.002 0.000 2.025 182 W HA -0.182 4.481 4.660 0.004 0.000 0.270 182 W C -0.884 175.633 176.519 -0.004 0.000 1.076 182 W CA 0.401 57.747 57.345 0.001 0.000 0.477 182 W CB -1.277 28.187 29.460 0.007 0.000 2.104 182 W HN 0.519 nan 8.180 nan 0.000 1.210 183 M N -1.141 118.568 119.600 0.182 0.000 2.622 183 M HA 0.341 4.824 4.480 0.004 0.000 0.276 183 M C -1.507 174.823 176.300 0.050 0.000 1.265 183 M CA -1.530 53.828 55.300 0.098 0.000 0.850 183 M CB 1.477 34.120 32.600 0.071 0.000 1.720 183 M HN -0.425 nan 8.290 nan 0.000 0.465 184 P HA 0.076 nan 4.420 nan 0.000 0.282 184 P C -1.302 175.993 177.300 -0.008 0.000 1.273 184 P CA -0.124 62.978 63.100 0.004 0.000 0.809 184 P CB 0.367 32.063 31.700 -0.007 0.000 1.246 185 E N -1.708 118.482 120.200 -0.017 0.000 2.412 185 E HA 0.411 4.764 4.350 0.004 0.000 0.279 185 E C -1.620 174.961 176.600 -0.032 0.000 0.984 185 E CA -0.654 55.732 56.400 -0.024 0.000 0.788 185 E CB 1.579 31.268 29.700 -0.017 0.000 1.277 185 E HN 0.400 nan 8.360 nan 0.000 0.455 186 T N 2.001 116.533 114.554 -0.037 0.000 2.150 186 T HA -0.102 4.250 4.350 0.004 0.000 0.570 186 T C 0.421 175.085 174.700 -0.060 0.000 0.880 186 T CA 0.801 62.875 62.100 -0.043 0.000 3.027 186 T CB -0.395 68.451 68.868 -0.036 0.000 1.841 186 T HN 0.695 nan 8.240 nan 0.000 0.500 187 R N 4.397 124.856 120.500 -0.068 0.000 2.062 187 R HA 0.002 4.345 4.340 0.004 0.000 0.229 187 R C -1.037 175.195 176.300 -0.113 0.000 1.128 187 R CA 2.115 58.157 56.100 -0.097 0.000 0.960 187 R CB -1.112 29.133 30.300 -0.092 0.000 0.855 187 R HN 0.491 nan 8.270 nan 0.000 0.432 188 P HA -0.088 nan 4.420 nan 0.000 0.218 188 P C 0.475 177.726 177.300 -0.082 0.000 1.146 188 P CA 1.115 64.163 63.100 -0.086 0.000 0.813 188 P CB 0.125 31.791 31.700 -0.057 0.000 0.778 189 V N -1.391 118.480 119.914 -0.071 0.000 2.940 189 V HA 0.188 4.311 4.120 0.004 0.000 0.366 189 V C 0.799 176.856 176.094 -0.063 0.000 1.353 189 V CA 0.310 62.574 62.300 -0.059 0.000 1.232 189 V CB 0.277 32.074 31.823 -0.042 0.000 1.278 189 V HN 0.021 nan 8.190 nan 0.000 0.546 190 D N 1.158 121.507 120.400 -0.086 0.000 2.504 190 D HA 0.250 4.892 4.640 0.004 0.000 0.276 190 D C 1.401 177.643 176.300 -0.096 0.000 1.073 190 D CA 0.728 54.679 54.000 -0.081 0.000 0.905 190 D CB 0.576 41.327 40.800 -0.082 0.000 1.350 190 D HN 0.331 nan 8.370 nan 0.000 0.496 191 A N 2.952 125.671 122.820 -0.169 0.000 2.572 191 A HA 0.225 4.547 4.320 0.004 0.000 0.256 191 A C -1.964 175.576 177.584 -0.074 0.000 1.041 191 A CA -0.194 51.711 52.037 -0.220 0.000 0.790 191 A CB -0.499 18.231 19.000 -0.450 0.000 0.947 191 A HN 0.214 nan 8.150 nan 0.000 0.518 192 P HA 0.706 nan 4.420 nan 0.000 0.285 192 P C -0.828 176.516 177.300 0.074 0.000 1.269 192 P CA -0.710 62.413 63.100 0.039 0.000 0.844 192 P CB 1.339 33.063 31.700 0.040 0.000 1.094 193 R N 0.026 120.551 120.500 0.042 0.000 2.937 193 R HA 0.500 4.842 4.340 0.004 0.000 0.273 193 R C -0.841 175.474 176.300 0.026 0.000 1.176 193 R CA -0.235 55.893 56.100 0.045 0.000 1.132 193 R CB 1.418 31.756 30.300 0.064 0.000 1.270 193 R HN 0.564 nan 8.270 nan 0.000 0.425 194 T N 0.601 115.166 114.554 0.017 0.000 2.630 194 T HA 0.643 4.995 4.350 0.004 0.000 0.300 194 T C -1.298 173.425 174.700 0.037 0.000 1.261 194 T CA -1.091 61.021 62.100 0.021 0.000 1.060 194 T CB 1.521 70.394 68.868 0.008 0.000 1.670 194 T HN 0.653 nan 8.240 nan 0.000 0.473 195 R N -0.734 119.795 120.500 0.048 0.000 2.762 195 R HA 0.572 4.915 4.340 0.004 0.000 0.271 195 R C -0.733 175.625 176.300 0.097 0.000 1.038 195 R CA -0.853 55.298 56.100 0.086 0.000 0.906 195 R CB -0.257 30.100 30.300 0.094 0.000 1.259 195 R HN 0.445 nan 8.270 nan 0.000 0.457 196 L N 2.639 123.942 121.223 0.132 0.000 2.700 196 L HA 0.028 4.370 4.340 0.004 0.000 0.240 196 L C 1.662 178.613 176.870 0.133 0.000 1.162 196 L CA 0.431 55.354 54.840 0.138 0.000 0.874 196 L CB -1.118 41.031 42.059 0.149 0.000 1.001 196 L HN 0.587 nan 8.230 nan 0.000 0.447 197 L N -2.661 118.625 121.223 0.104 0.000 2.042 197 L HA -0.144 4.198 4.340 0.004 0.000 0.210 197 L C 2.176 179.097 176.870 0.085 0.000 1.076 197 L CA 2.035 56.926 54.840 0.086 0.000 0.749 197 L CB -1.580 40.512 42.059 0.054 0.000 0.893 197 L HN -0.024 nan 8.230 nan 0.000 0.432 198 T N -1.129 113.471 114.554 0.078 0.000 2.978 198 T HA 0.050 4.402 4.350 0.004 0.000 0.262 198 T C 1.313 176.077 174.700 0.108 0.000 1.063 198 T CA 1.085 63.228 62.100 0.072 0.000 1.140 198 T CB -0.201 68.696 68.868 0.049 0.000 0.886 198 T HN 0.366 nan 8.240 nan 0.000 0.470 199 S N 1.843 117.613 115.700 0.117 0.000 3.811 199 S HA 0.203 4.675 4.470 0.004 0.000 0.205 199 S C 0.375 175.077 174.600 0.170 0.000 1.445 199 S CA -0.509 57.768 58.200 0.129 0.000 1.097 199 S CB -0.564 62.707 63.200 0.118 0.000 1.350 199 S HN 0.393 nan 8.310 nan 0.000 0.471 200 Y N 2.812 123.143 120.300 0.051 0.000 2.337 200 Y HA 0.006 4.558 4.550 0.004 0.000 0.247 200 Y C 2.064 178.002 175.900 0.063 0.000 1.036 200 Y CA 1.329 59.459 58.100 0.050 0.000 1.041 200 Y CB -0.283 38.197 38.460 0.033 0.000 1.021 200 Y HN 0.147 nan 8.280 nan 0.000 0.473 201 K N -0.167 120.177 120.400 -0.094 0.000 2.519 201 K HA -0.098 4.225 4.320 0.004 0.000 0.196 201 K C 1.494 178.103 176.600 0.014 0.000 1.041 201 K CA 1.262 57.459 56.287 -0.150 0.000 0.954 201 K CB -0.256 32.215 32.500 -0.047 0.000 0.774 201 K HN 0.541 nan 8.250 nan 0.000 0.480 202 T N 1.351 115.941 114.554 0.059 0.000 2.946 202 T HA -0.139 4.214 4.350 0.004 0.000 0.271 202 T C 1.578 176.342 174.700 0.107 0.000 1.104 202 T CA 0.469 62.625 62.100 0.093 0.000 1.114 202 T CB -0.048 68.876 68.868 0.092 0.000 0.867 202 T HN 0.086 nan 8.240 nan 0.000 0.513 203 L N 0.240 121.502 121.223 0.066 0.000 2.012 203 L HA -0.007 4.335 4.340 0.004 0.000 0.210 203 L C 2.018 178.946 176.870 0.097 0.000 1.073 203 L CA 1.569 56.443 54.840 0.058 0.000 0.748 203 L CB -0.817 41.236 42.059 -0.010 0.000 0.891 203 L HN 0.176 nan 8.230 nan 0.000 0.431 204 F N -0.466 119.459 119.950 -0.040 0.000 2.046 204 F HA -0.173 4.357 4.527 0.004 0.000 0.297 204 F C 2.210 178.015 175.800 0.008 0.000 1.123 204 F CA 1.888 59.872 58.000 -0.027 0.000 1.199 204 F CB -1.033 37.947 39.000 -0.034 0.000 0.972 204 F HN 0.122 nan 8.300 nan 0.000 0.474 205 G N -0.588 108.357 108.800 0.243 0.000 2.605 205 G HA2 -0.346 3.617 3.960 0.004 0.000 0.215 205 G HA3 -0.346 3.617 3.960 0.004 0.000 0.215 205 G C 1.255 176.290 174.900 0.225 0.000 1.279 205 G CA 0.810 46.032 45.100 0.203 0.000 0.831 205 G HN 0.490 nan 8.290 nan 0.000 0.560 206 N N 0.339 119.171 118.700 0.219 0.000 2.060 206 N HA -0.173 4.570 4.740 0.004 0.000 0.195 206 N C 1.986 177.647 175.510 0.252 0.000 1.028 206 N CA 2.494 55.696 53.050 0.254 0.000 0.861 206 N CB -0.516 38.079 38.487 0.180 0.000 1.029 206 N HN 0.222 nan 8.380 nan 0.000 0.428 207 S N -0.993 114.799 115.700 0.153 0.000 2.447 207 S HA 0.047 4.519 4.470 0.004 0.000 0.233 207 S C 1.875 176.512 174.600 0.062 0.000 1.006 207 S CA 0.718 58.977 58.200 0.098 0.000 0.957 207 S CB -0.753 62.466 63.200 0.032 0.000 0.773 207 S HN 0.672 nan 8.310 nan 0.000 0.507 208 G N 1.095 109.907 108.800 0.019 0.000 2.453 208 G HA2 -0.157 3.806 3.960 0.004 0.000 0.215 208 G HA3 -0.157 3.806 3.960 0.004 0.000 0.215 208 G C 1.033 175.907 174.900 -0.044 0.000 1.201 208 G CA 0.576 45.605 45.100 -0.118 0.000 0.784 208 G HN 0.494 nan 8.290 nan 0.000 0.545 209 F N 1.446 121.503 119.950 0.178 0.000 2.293 209 F HA -0.020 4.509 4.527 0.004 0.000 0.300 209 F C 2.512 178.534 175.800 0.370 0.000 1.086 209 F CA 0.944 59.140 58.000 0.327 0.000 1.375 209 F CB -0.244 38.984 39.000 0.380 0.000 1.045 209 F HN 0.147 nan 8.300 nan 0.000 0.516 210 N N 0.299 119.258 118.700 0.432 0.000 2.013 210 N HA -0.249 4.493 4.740 0.004 0.000 0.195 210 N C 2.286 177.941 175.510 0.243 0.000 1.051 210 N CA 1.938 55.188 53.050 0.333 0.000 0.851 210 N CB -0.999 37.609 38.487 0.202 0.000 1.044 210 N HN 0.355 nan 8.380 nan 0.000 0.422 211 C N 0.820 120.212 119.300 0.154 0.000 2.403 211 C HA -0.169 4.293 4.460 0.004 0.000 0.277 211 C C 2.504 177.614 174.990 0.200 0.000 1.248 211 C CA 0.773 59.856 59.018 0.108 0.000 1.762 211 C CB -1.936 25.826 27.740 0.037 0.000 2.014 211 C HN 0.549 nan 8.230 nan 0.000 0.486 212 Y N 1.089 121.445 120.300 0.092 0.000 1.993 212 Y HA -0.150 4.402 4.550 0.004 0.000 0.237 212 Y C 2.233 178.223 175.900 0.149 0.000 1.071 212 Y CA 1.894 60.057 58.100 0.106 0.000 1.046 212 Y CB -1.257 37.298 38.460 0.159 0.000 0.949 212 Y HN 0.171 nan 8.280 nan 0.000 0.497 213 L N 0.513 121.756 121.223 0.033 0.000 2.201 213 L HA -0.173 4.169 4.340 0.004 0.000 0.212 213 L C 2.580 179.525 176.870 0.124 0.000 1.105 213 L CA 1.101 55.915 54.840 -0.044 0.000 0.775 213 L CB -1.420 40.680 42.059 0.068 0.000 0.913 213 L HN 0.478 nan 8.230 nan 0.000 0.440 214 L N -0.330 120.997 121.223 0.174 0.000 1.944 214 L HA -0.272 4.070 4.340 0.004 0.000 0.218 214 L C 2.553 179.480 176.870 0.095 0.000 1.075 214 L CA 2.010 56.927 54.840 0.127 0.000 0.767 214 L CB -0.637 41.468 42.059 0.077 0.000 0.890 214 L HN 0.221 nan 8.230 nan 0.000 0.434 215 M N -0.541 119.114 119.600 0.092 0.000 2.108 215 M HA -0.223 4.260 4.480 0.004 0.000 0.261 215 M C 2.246 178.598 176.300 0.086 0.000 1.066 215 M CA 1.173 56.519 55.300 0.077 0.000 1.107 215 M CB -1.335 31.309 32.600 0.073 0.000 1.356 215 M HN 0.360 nan 8.290 nan 0.000 0.406 216 L N 1.403 122.693 121.223 0.113 0.000 1.965 216 L HA -0.247 4.095 4.340 0.004 0.000 0.226 216 L C 2.413 179.326 176.870 0.073 0.000 1.083 216 L CA 2.637 57.540 54.840 0.104 0.000 0.790 216 L CB -1.057 41.063 42.059 0.101 0.000 0.898 216 L HN 0.408 nan 8.230 nan 0.000 0.439 217 I N -1.899 118.712 120.570 0.069 0.000 2.676 217 I HA 0.048 4.220 4.170 0.004 0.000 0.259 217 I C 2.311 178.472 176.117 0.073 0.000 1.194 217 I CA 1.245 62.586 61.300 0.068 0.000 1.473 217 I CB -1.205 36.847 38.000 0.086 0.000 1.096 217 I HN 0.185 nan 8.210 nan 0.000 0.443 218 G N 1.336 110.180 108.800 0.073 0.000 2.484 218 G HA2 -0.118 3.845 3.960 0.004 0.000 0.215 218 G HA3 -0.118 3.845 3.960 0.004 0.000 0.215 218 G C 1.662 176.597 174.900 0.058 0.000 1.219 218 G CA 0.702 45.841 45.100 0.066 0.000 0.791 218 G HN 0.535 nan 8.290 nan 0.000 0.550 219 G N 0.384 109.216 108.800 0.053 0.000 2.432 219 G HA2 -0.114 3.849 3.960 0.004 0.000 0.219 219 G HA3 -0.114 3.849 3.960 0.004 0.000 0.219 219 G C 1.715 176.643 174.900 0.046 0.000 1.135 219 G CA 0.799 45.927 45.100 0.047 0.000 0.767 219 G HN 0.337 nan 8.290 nan 0.000 0.550 220 L N 1.038 122.287 121.223 0.044 0.000 2.265 220 L HA 0.171 4.514 4.340 0.004 0.000 0.215 220 L C 3.024 179.915 176.870 0.036 0.000 1.117 220 L CA 1.413 56.272 54.840 0.031 0.000 0.782 220 L CB -0.414 41.660 42.059 0.026 0.000 0.914 220 L HN 0.257 nan 8.230 nan 0.000 0.441 221 A N -0.996 121.855 122.820 0.051 0.000 1.898 221 A HA -0.025 4.297 4.320 0.004 0.000 0.216 221 A C 2.361 179.982 177.584 0.062 0.000 1.181 221 A CA 1.370 53.440 52.037 0.056 0.000 0.620 221 A CB -1.263 17.778 19.000 0.068 0.000 0.819 221 A HN 0.435 nan 8.150 nan 0.000 0.442 222 G N 0.022 108.868 108.800 0.075 0.000 2.402 222 G HA2 -0.156 3.806 3.960 0.004 0.000 0.216 222 G HA3 -0.156 3.806 3.960 0.004 0.000 0.216 222 G C 1.511 176.514 174.900 0.173 0.000 1.162 222 G CA 1.074 46.241 45.100 0.112 0.000 0.777 222 G HN 0.462 nan 8.290 nan 0.000 0.539 223 I N 1.393 122.034 120.570 0.119 0.000 2.286 223 I HA -0.160 4.012 4.170 0.004 0.000 0.248 223 I C 3.281 179.466 176.117 0.113 0.000 1.115 223 I CA 0.814 62.177 61.300 0.106 0.000 1.392 223 I CB -0.228 37.776 38.000 0.006 0.000 1.065 223 I HN 0.245 nan 8.210 nan 0.000 0.418 224 A N 1.055 123.910 122.820 0.059 0.000 1.908 224 A HA -0.223 4.099 4.320 0.004 0.000 0.218 224 A C 2.599 180.205 177.584 0.038 0.000 1.181 224 A CA 2.002 54.049 52.037 0.018 0.000 0.627 224 A CB -0.853 18.134 19.000 -0.021 0.000 0.818 224 A HN 0.434 nan 8.150 nan 0.000 0.445 225 A N -1.052 121.803 122.820 0.059 0.000 1.873 225 A HA -0.095 4.227 4.320 0.004 0.000 0.218 225 A C 1.996 179.585 177.584 0.009 0.000 1.193 225 A CA 1.743 53.790 52.037 0.018 0.000 0.629 225 A CB -0.817 18.188 19.000 0.007 0.000 0.826 225 A HN 0.478 nan 8.150 nan 0.000 0.447 226 F N 0.599 120.534 119.950 -0.024 0.000 1.997 226 F HA -0.229 4.300 4.527 0.003 0.000 0.296 226 F C 2.724 178.505 175.800 -0.032 0.000 1.160 226 F CA 2.273 60.261 58.000 -0.020 0.000 1.176 226 F CB -0.623 38.371 39.000 -0.010 0.000 0.964 226 F HN 0.540 nan 8.300 nan 0.000 0.484 227 E N 0.456 120.781 120.200 0.208 0.000 2.086 227 E HA -0.310 4.042 4.350 0.004 0.000 0.205 227 E C 2.075 178.663 176.600 -0.021 0.000 1.027 227 E CA 1.609 58.056 56.400 0.077 0.000 0.830 227 E CB -0.923 28.789 29.700 0.020 0.000 0.751 227 E HN 0.366 nan 8.360 nan 0.000 0.456 228 A N 0.687 123.482 122.820 -0.041 0.000 2.167 228 A HA -0.016 4.307 4.320 0.004 0.000 0.214 228 A C 2.306 179.826 177.584 -0.107 0.000 1.151 228 A CA 0.879 52.858 52.037 -0.097 0.000 0.735 228 A CB -0.773 18.183 19.000 -0.073 0.000 0.802 228 A HN 0.586 nan 8.150 nan 0.000 0.467 229 C N -0.067 119.186 119.300 -0.079 0.000 2.489 229 C HA 0.085 4.548 4.460 0.004 0.000 0.279 229 C C 1.584 176.511 174.990 -0.106 0.000 1.266 229 C CA 0.815 59.774 59.018 -0.098 0.000 1.707 229 C CB -1.233 26.430 27.740 -0.129 0.000 2.059 229 C HN 0.438 nan 8.230 nan 0.000 0.481 230 S N 0.883 116.534 115.700 -0.082 0.000 2.563 230 S HA 0.473 4.946 4.470 0.004 0.000 0.294 230 S C 0.243 174.736 174.600 -0.178 0.000 1.279 230 S CA 0.759 58.916 58.200 -0.073 0.000 1.069 230 S CB 0.076 63.294 63.200 0.030 0.000 0.828 230 S HN 1.154 nan 8.310 nan 0.000 0.497 231 G N 0.485 109.208 108.800 -0.129 0.000 2.343 231 G HA2 0.281 4.244 3.960 0.004 0.000 0.289 231 G HA3 0.281 4.244 3.960 0.004 0.000 0.289 231 G C -1.564 173.277 174.900 -0.098 0.000 1.295 231 G CA -0.291 44.705 45.100 -0.173 0.000 0.869 231 G HN 0.971 nan 8.290 nan 0.000 0.522 232 V N 2.477 122.332 119.914 -0.098 0.000 2.315 232 V HA 0.386 4.509 4.120 0.004 0.000 0.265 232 V C 1.622 177.674 176.094 -0.071 0.000 1.019 232 V CA -0.004 62.261 62.300 -0.059 0.000 0.824 232 V CB -0.231 31.570 31.823 -0.036 0.000 1.072 232 V HN 0.870 nan 8.190 nan 0.000 0.448 233 L N 3.331 124.510 121.223 -0.073 0.000 2.251 233 L HA -0.350 3.993 4.340 0.004 0.000 0.226 233 L C 2.195 179.027 176.870 -0.064 0.000 1.103 233 L CA 2.400 57.196 54.840 -0.074 0.000 0.827 233 L CB -0.647 41.370 42.059 -0.070 0.000 0.907 233 L HN 0.554 nan 8.230 nan 0.000 0.449 234 M N -1.032 118.541 119.600 -0.046 0.000 2.225 234 M HA 0.158 4.640 4.480 0.004 0.000 0.233 234 M C 1.256 177.527 176.300 -0.049 0.000 1.280 234 M CA 1.217 56.495 55.300 -0.035 0.000 1.063 234 M CB -0.583 32.006 32.600 -0.019 0.000 1.015 234 M HN 0.326 nan 8.290 nan 0.000 0.465 235 G N -0.254 108.524 108.800 -0.036 0.000 3.260 235 G HA2 -0.192 3.770 3.960 0.004 0.000 0.608 235 G HA3 -0.192 3.770 3.960 0.004 0.000 0.608 235 G C 0.493 175.364 174.900 -0.048 0.000 1.636 235 G CA 0.086 45.163 45.100 -0.038 0.000 1.181 235 G HN 0.818 nan 8.290 nan 0.000 0.585 236 A N 0.560 123.362 122.820 -0.031 0.000 1.933 236 A HA 0.112 4.434 4.320 0.004 0.000 0.218 236 A C 2.736 180.277 177.584 -0.071 0.000 1.175 236 A CA 2.756 54.776 52.037 -0.028 0.000 0.628 236 A CB -0.377 18.629 19.000 0.009 0.000 0.814 236 A HN 1.495 nan 8.150 nan 0.000 0.444 237 V N 0.033 119.884 119.914 -0.105 0.000 2.332 237 V HA -0.228 3.894 4.120 0.004 0.000 0.248 237 V C 2.497 178.407 176.094 -0.307 0.000 1.055 237 V CA 1.651 63.810 62.300 -0.234 0.000 1.038 237 V CB -0.651 31.004 31.823 -0.280 0.000 0.651 237 V HN 0.502 nan 8.190 nan 0.000 0.450 238 L N 0.507 121.592 121.223 -0.231 0.000 2.109 238 L HA -0.009 4.334 4.340 0.004 0.000 0.207 238 L C 2.621 179.386 176.870 -0.175 0.000 1.086 238 L CA 2.264 56.971 54.840 -0.222 0.000 0.760 238 L CB -1.880 40.082 42.059 -0.162 0.000 0.910 238 L HN 0.449 nan 8.230 nan 0.000 0.437 239 G N -0.460 108.267 108.800 -0.123 0.000 2.422 239 G HA2 -0.234 3.728 3.960 0.004 0.000 0.218 239 G HA3 -0.234 3.728 3.960 0.004 0.000 0.218 239 G C 1.390 176.218 174.900 -0.119 0.000 1.146 239 G CA 0.271 45.316 45.100 -0.091 0.000 0.769 239 G HN 0.275 nan 8.290 nan 0.000 0.547 240 L N 1.033 122.173 121.223 -0.138 0.000 2.599 240 L HA 0.244 4.586 4.340 0.004 0.000 0.230 240 L C 2.656 179.385 176.870 -0.234 0.000 1.141 240 L CA 0.890 55.641 54.840 -0.147 0.000 0.877 240 L CB 0.144 42.146 42.059 -0.095 0.000 1.009 240 L HN 0.274 nan 8.230 nan 0.000 0.447 241 S N -1.526 114.003 115.700 -0.286 0.000 2.377 241 S HA -0.157 4.315 4.470 0.004 0.000 0.223 241 S C 2.356 176.777 174.600 -0.299 0.000 1.030 241 S CA 1.461 59.449 58.200 -0.354 0.000 0.970 241 S CB -0.043 62.947 63.200 -0.350 0.000 0.830 241 S HN 0.467 nan 8.310 nan 0.000 0.473 242 S N 1.317 116.869 115.700 -0.248 0.000 2.356 242 S HA -0.136 4.337 4.470 0.004 0.000 0.223 242 S C 2.090 176.517 174.600 -0.289 0.000 1.032 242 S CA 1.720 59.769 58.200 -0.252 0.000 1.005 242 S CB -0.614 62.474 63.200 -0.186 0.000 0.867 242 S HN 0.645 nan 8.310 nan 0.000 0.449 243 M N 1.379 120.846 119.600 -0.222 0.000 2.066 243 M HA -0.103 4.379 4.480 0.004 0.000 0.259 243 M C 2.063 178.218 176.300 -0.241 0.000 1.074 243 M CA 2.582 57.764 55.300 -0.197 0.000 1.114 243 M CB -2.031 30.499 32.600 -0.116 0.000 1.306 243 M HN 0.358 nan 8.290 nan 0.000 0.411 244 T N 1.142 115.573 114.554 -0.205 0.000 2.635 244 T HA -0.179 4.174 4.350 0.004 0.000 0.267 244 T C 1.914 176.434 174.700 -0.300 0.000 1.040 244 T CA 2.119 64.119 62.100 -0.168 0.000 1.156 244 T CB -0.954 67.854 68.868 -0.100 0.000 0.863 244 T HN 0.368 nan 8.240 nan 0.000 0.430 245 V N 1.141 120.796 119.914 -0.432 0.000 2.324 245 V HA -0.221 3.902 4.120 0.004 0.000 0.250 245 V C 2.503 177.773 176.094 -1.373 0.000 1.060 245 V CA 2.453 64.337 62.300 -0.694 0.000 1.042 245 V CB -0.656 30.793 31.823 -0.624 0.000 0.650 245 V HN 0.503 nan 8.190 nan 0.000 0.450 246 S N -0.304 114.683 115.700 -1.188 0.000 2.387 246 S HA -0.028 4.444 4.470 0.004 0.000 0.226 246 S C 1.744 176.008 174.600 -0.561 0.000 1.026 246 S CA 1.613 59.147 58.200 -1.110 0.000 0.972 246 S CB -0.304 62.547 63.200 -0.582 0.000 0.814 246 S HN 0.609 nan 8.310 nan 0.000 0.477 247 I N 1.514 121.860 120.570 -0.372 0.000 2.163 247 I HA -0.172 4.000 4.170 0.004 0.000 0.243 247 I C 1.752 177.773 176.117 -0.161 0.000 1.085 247 I CA 0.970 62.154 61.300 -0.193 0.000 1.347 247 I CB -0.320 37.612 38.000 -0.113 0.000 1.044 247 I HN 0.259 nan 8.210 nan 0.000 0.408 248 L N -0.253 120.857 121.223 -0.189 0.000 2.376 248 L HA -0.085 4.257 4.340 0.004 0.000 0.219 248 L C 2.344 179.191 176.870 -0.038 0.000 1.133 248 L CA 1.588 56.385 54.840 -0.071 0.000 0.816 248 L CB -1.318 40.731 42.059 -0.017 0.000 0.933 248 L HN 0.274 nan 8.230 nan 0.000 0.449 249 F N -0.541 119.099 119.950 -0.516 0.000 2.134 249 F HA -0.286 4.243 4.527 0.004 0.000 0.299 249 F C 2.509 177.931 175.800 -0.630 0.000 1.097 249 F CA 0.276 57.577 58.000 -1.164 0.000 1.264 249 F CB -0.013 38.125 39.000 -1.437 0.000 1.001 249 F HN 0.063 nan 8.300 nan 0.000 0.479 250 I N 0.166 120.657 120.570 -0.131 0.000 2.142 250 I HA -0.281 3.891 4.170 0.004 0.000 0.240 250 I C 2.201 178.343 176.117 0.042 0.000 1.078 250 I CA 1.143 62.426 61.300 -0.029 0.000 1.343 250 I CB -0.651 37.325 38.000 -0.039 0.000 1.046 250 I HN -0.008 nan 8.210 nan 0.000 0.405 251 L N 1.255 122.500 121.223 0.036 0.000 1.955 251 L HA -0.122 4.221 4.340 0.004 0.000 0.213 251 L C -0.536 176.409 176.870 0.125 0.000 1.072 251 L CA 2.349 57.227 54.840 0.064 0.000 0.755 251 L CB -2.013 40.074 42.059 0.047 0.000 0.888 251 L HN 0.102 nan 8.230 nan 0.000 0.432 252 P HA -0.172 nan 4.420 nan 0.000 0.220 252 P C 1.777 179.259 177.300 0.304 0.000 1.144 252 P CA 1.169 64.420 63.100 0.253 0.000 0.800 252 P CB -0.083 31.818 31.700 0.335 0.000 0.772 253 I N 0.975 121.767 120.570 0.371 0.000 2.163 253 I HA -0.098 4.075 4.170 0.004 0.000 0.240 253 I C -1.029 175.218 176.117 0.217 0.000 1.081 253 I CA 1.713 63.218 61.300 0.341 0.000 1.353 253 I CB -1.731 36.515 38.000 0.410 0.000 1.054 253 I HN 0.004 nan 8.210 nan 0.000 0.407 254 P HA -0.081 nan 4.420 nan 0.000 0.221 254 P C 1.444 178.855 177.300 0.185 0.000 1.150 254 P CA 1.847 65.019 63.100 0.120 0.000 0.800 254 P CB -0.203 31.518 31.700 0.034 0.000 0.787 255 A N 0.751 123.657 122.820 0.145 0.000 2.019 255 A HA -0.008 4.314 4.320 0.004 0.000 0.219 255 A C 2.418 180.091 177.584 0.149 0.000 1.164 255 A CA 1.797 53.908 52.037 0.124 0.000 0.644 255 A CB -1.357 17.706 19.000 0.104 0.000 0.805 255 A HN 0.244 nan 8.150 nan 0.000 0.449 256 A N -1.623 121.294 122.820 0.161 0.000 2.067 256 A HA 0.152 4.475 4.320 0.004 0.000 0.217 256 A C 1.820 179.444 177.584 0.068 0.000 1.156 256 A CA 1.036 53.144 52.037 0.118 0.000 0.683 256 A CB -0.567 18.498 19.000 0.108 0.000 0.808 256 A HN 0.536 nan 8.150 nan 0.000 0.455 257 F N -0.165 119.736 119.950 -0.081 0.000 2.014 257 F HA -0.132 4.397 4.527 0.004 0.000 0.295 257 F C 1.884 177.232 175.800 -0.753 0.000 1.145 257 F CA 1.921 59.736 58.000 -0.307 0.000 1.178 257 F CB -0.584 38.331 39.000 -0.142 0.000 0.972 257 F HN 0.242 nan 8.300 nan 0.000 0.476 258 F N 0.246 119.908 119.950 -0.480 0.000 2.365 258 F HA -0.027 4.502 4.527 0.004 0.000 0.300 258 F C 2.526 178.210 175.800 -0.193 0.000 1.090 258 F CA 0.850 58.525 58.000 -0.541 0.000 1.408 258 F CB -0.966 37.996 39.000 -0.063 0.000 1.060 258 F HN 0.115 nan 8.300 nan 0.000 0.534 259 G N -0.426 108.408 108.800 0.058 0.000 2.443 259 G HA2 -0.132 3.830 3.960 0.004 0.000 0.219 259 G HA3 -0.132 3.830 3.960 0.004 0.000 0.219 259 G C 1.835 176.836 174.900 0.168 0.000 1.131 259 G CA 0.707 45.899 45.100 0.154 0.000 0.775 259 G HN 0.415 nan 8.290 nan 0.000 0.547 260 A N 0.571 123.361 122.820 -0.049 0.000 1.873 260 A HA 0.021 4.343 4.320 0.004 0.000 0.215 260 A C 2.135 179.817 177.584 0.163 0.000 1.186 260 A CA 1.401 53.447 52.037 0.014 0.000 0.616 260 A CB -0.601 18.319 19.000 -0.134 0.000 0.823 260 A HN 0.432 nan 8.150 nan 0.000 0.442 261 W N -1.230 120.085 121.300 0.026 0.000 2.392 261 W HA -0.060 4.603 4.660 0.004 0.000 0.279 261 W C 1.919 178.485 176.519 0.079 0.000 1.225 261 W CA 0.245 57.594 57.345 0.006 0.000 1.233 261 W CB -1.435 27.995 29.460 -0.050 0.000 1.122 261 W HN 0.468 nan 8.180 nan 0.000 0.561 262 F N 1.252 121.320 119.950 0.197 0.000 2.367 262 F HA 0.113 4.642 4.527 0.004 0.000 0.298 262 F C 2.292 178.135 175.800 0.073 0.000 1.094 262 F CA 1.473 59.559 58.000 0.144 0.000 1.409 262 F CB -0.444 38.648 39.000 0.154 0.000 1.064 262 F HN -0.162 nan 8.300 nan 0.000 0.528 263 A N 0.570 123.485 122.820 0.159 0.000 1.948 263 A HA -0.127 4.195 4.320 0.004 0.000 0.220 263 A C 2.457 179.912 177.584 -0.216 0.000 1.177 263 A CA 1.917 53.928 52.037 -0.043 0.000 0.636 263 A CB -1.768 17.201 19.000 -0.053 0.000 0.815 263 A HN 0.501 nan 8.150 nan 0.000 0.449 264 G N -0.628 108.104 108.800 -0.114 0.000 2.575 264 G HA2 -0.143 3.820 3.960 0.004 0.000 0.215 264 G HA3 -0.143 3.820 3.960 0.004 0.000 0.215 264 G C 0.900 175.650 174.900 -0.251 0.000 1.262 264 G CA 0.232 45.255 45.100 -0.129 0.000 0.807 264 G HN 0.516 nan 8.290 nan 0.000 0.567 265 R N 1.272 121.589 120.500 -0.305 0.000 2.870 265 R HA -0.081 4.261 4.340 0.004 0.000 0.283 265 R C -1.761 174.137 176.300 -0.670 0.000 0.805 265 R CA 0.082 55.858 56.100 -0.541 0.000 1.110 265 R CB -0.191 29.681 30.300 -0.713 0.000 0.900 265 R HN 0.080 nan 8.270 nan 0.000 0.406 266 P HA -0.352 nan 4.420 nan 0.000 0.015 266 P C -0.952 176.178 177.300 -0.283 0.000 0.605 266 P CA 1.181 64.078 63.100 -0.339 0.000 1.034 266 P CB -1.036 30.442 31.700 -0.370 0.000 1.907 267 N N -1.505 117.011 118.700 -0.307 0.000 3.321 267 N HA -0.209 4.533 4.740 0.004 0.000 0.291 267 N C 1.153 176.508 175.510 -0.258 0.000 1.861 267 N CA 0.257 53.139 53.050 -0.281 0.000 2.117 267 N CB 0.122 38.427 38.487 -0.304 0.000 0.766 267 N HN 0.154 nan 8.380 nan 0.000 0.602 268 K N 2.699 122.988 120.400 -0.185 0.000 2.455 268 K HA -0.247 4.076 4.320 0.004 0.000 0.200 268 K C 1.472 178.191 176.600 0.199 0.000 1.045 268 K CA 1.467 57.837 56.287 0.139 0.000 0.932 268 K CB -0.026 32.636 32.500 0.270 0.000 0.754 268 K HN 0.493 nan 8.250 nan 0.000 0.486 269 R N -0.610 119.846 120.500 -0.074 0.000 2.105 269 R HA -0.176 4.166 4.340 0.004 0.000 0.239 269 R C 2.197 178.507 176.300 0.017 0.000 1.135 269 R CA 1.611 57.622 56.100 -0.149 0.000 0.967 269 R CB -0.472 29.549 30.300 -0.464 0.000 0.861 269 R HN 0.247 nan 8.270 nan 0.000 0.442 270 F N 1.319 121.235 119.950 -0.057 0.000 2.120 270 F HA -0.264 4.265 4.527 0.004 0.000 0.300 270 F C 2.422 178.295 175.800 0.122 0.000 1.095 270 F CA 1.793 59.795 58.000 0.004 0.000 1.249 270 F CB -0.720 38.269 39.000 -0.019 0.000 0.995 270 F HN -0.113 nan 8.300 nan 0.000 0.480 271 S N -0.304 115.427 115.700 0.051 0.000 2.344 271 S HA -0.226 4.246 4.470 0.004 0.000 0.217 271 S C 2.275 176.832 174.600 -0.070 0.000 1.033 271 S CA 2.707 60.833 58.200 -0.124 0.000 1.017 271 S CB -1.071 62.252 63.200 0.206 0.000 0.941 271 S HN 0.699 nan 8.310 nan 0.000 0.430 272 T N 1.858 116.493 114.554 0.134 0.000 2.665 272 T HA -0.189 4.164 4.350 0.004 0.000 0.268 272 T C 1.871 176.635 174.700 0.106 0.000 1.035 272 T CA 1.613 63.824 62.100 0.185 0.000 1.151 272 T CB -1.166 67.848 68.868 0.244 0.000 0.862 272 T HN 0.455 nan 8.240 nan 0.000 0.438 273 L N 0.329 121.563 121.223 0.019 0.000 1.941 273 L HA -0.161 4.181 4.340 0.004 0.000 0.224 273 L C 2.799 179.649 176.870 -0.032 0.000 1.081 273 L CA 2.627 57.462 54.840 -0.009 0.000 0.784 273 L CB -0.470 41.575 42.059 -0.023 0.000 0.894 273 L HN 0.269 nan 8.230 nan 0.000 0.436 274 M N -0.917 118.576 119.600 -0.178 0.000 2.149 274 M HA -0.285 4.197 4.480 0.004 0.000 0.261 274 M C 2.102 178.382 176.300 -0.034 0.000 1.064 274 M CA 2.131 57.309 55.300 -0.202 0.000 1.102 274 M CB -1.162 31.142 32.600 -0.493 0.000 1.369 274 M HN 0.485 nan 8.290 nan 0.000 0.408 275 W N 0.888 122.141 121.300 -0.079 0.000 2.329 275 W HA -0.294 4.368 4.660 0.004 0.000 0.324 275 W C 2.517 179.026 176.519 -0.016 0.000 1.222 275 W CA 1.174 58.516 57.345 -0.005 0.000 1.270 275 W CB -0.482 28.968 29.460 -0.016 0.000 1.167 275 W HN 0.320 nan 8.180 nan 0.000 0.467 276 Q N -0.132 119.809 119.800 0.234 0.000 2.135 276 Q HA -0.203 4.139 4.340 0.004 0.000 0.204 276 Q C 2.105 178.154 176.000 0.080 0.000 0.981 276 Q CA 2.213 58.064 55.803 0.081 0.000 0.856 276 Q CB -0.537 28.231 28.738 0.050 0.000 0.902 276 Q HN 0.147 nan 8.270 nan 0.000 0.425 277 S N -0.045 115.717 115.700 0.103 0.000 2.356 277 S HA -0.128 4.344 4.470 0.004 0.000 0.223 277 S C 2.060 176.737 174.600 0.128 0.000 1.032 277 S CA 1.288 59.537 58.200 0.081 0.000 1.005 277 S CB -0.252 62.983 63.200 0.057 0.000 0.867 277 S HN 0.169 nan 8.310 nan 0.000 0.449 278 V N 2.479 122.532 119.914 0.232 0.000 2.490 278 V HA -0.131 3.991 4.120 0.004 0.000 0.250 278 V C 2.150 178.471 176.094 0.378 0.000 1.061 278 V CA 1.023 63.527 62.300 0.340 0.000 1.064 278 V CB -0.710 31.454 31.823 0.568 0.000 0.670 278 V HN 0.420 nan 8.190 nan 0.000 0.461 279 I N -0.083 120.638 120.570 0.251 0.000 2.163 279 I HA -0.280 3.893 4.170 0.004 0.000 0.243 279 I C 2.603 178.766 176.117 0.077 0.000 1.085 279 I CA 1.774 63.100 61.300 0.044 0.000 1.347 279 I CB -1.352 36.535 38.000 -0.189 0.000 1.044 279 I HN 0.388 nan 8.210 nan 0.000 0.408 280 C N 0.905 120.231 119.300 0.044 0.000 2.425 280 C HA -0.184 4.279 4.460 0.004 0.000 0.277 280 C C 3.229 178.251 174.990 0.054 0.000 1.280 280 C CA 0.758 59.783 59.018 0.012 0.000 1.744 280 C CB -1.365 26.369 27.740 -0.010 0.000 1.989 280 C HN 0.782 nan 8.230 nan 0.000 0.491 281 C N 0.394 119.752 119.300 0.096 0.000 2.413 281 C HA -0.090 4.373 4.460 0.004 0.000 0.276 281 C C 2.484 177.533 174.990 0.098 0.000 1.248 281 C CA 0.892 59.965 59.018 0.091 0.000 1.742 281 C CB -1.701 26.104 27.740 0.107 0.000 2.017 281 C HN 0.513 nan 8.230 nan 0.000 0.481 282 L N 1.137 122.452 121.223 0.154 0.000 2.201 282 L HA 0.006 4.348 4.340 0.004 0.000 0.212 282 L C 2.735 179.671 176.870 0.110 0.000 1.105 282 L CA 1.409 56.338 54.840 0.148 0.000 0.775 282 L CB -1.452 40.772 42.059 0.275 0.000 0.913 282 L HN 0.530 nan 8.230 nan 0.000 0.440 283 L N 0.281 121.559 121.223 0.092 0.000 2.129 283 L HA -0.150 4.192 4.340 0.004 0.000 0.212 283 L C 1.341 178.243 176.870 0.053 0.000 1.087 283 L CA 2.072 56.947 54.840 0.058 0.000 0.757 283 L CB -0.505 41.553 42.059 -0.002 0.000 0.896 283 L HN 0.275 nan 8.230 nan 0.000 0.434 284 A N -1.445 121.403 122.820 0.046 0.000 2.812 284 A HA 0.550 4.872 4.320 0.004 0.000 0.294 284 A C 1.069 178.674 177.584 0.036 0.000 1.014 284 A CA 0.141 52.201 52.037 0.038 0.000 1.024 284 A CB -0.152 18.866 19.000 0.030 0.000 1.162 284 A HN 0.436 nan 8.150 nan 0.000 0.511 285 G N -0.151 108.672 108.800 0.040 0.000 2.600 285 G HA2 0.422 4.385 3.960 0.004 0.000 0.225 285 G HA3 0.422 4.385 3.960 0.004 0.000 0.225 285 G C 0.613 175.521 174.900 0.013 0.000 1.623 285 G CA 0.123 45.240 45.100 0.028 0.000 0.903 285 G HN 0.324 nan 8.290 nan 0.000 0.574 286 L N -0.365 120.860 121.223 0.004 0.000 2.664 286 L HA 0.453 4.795 4.340 0.004 0.000 0.253 286 L C -0.438 176.426 176.870 -0.010 0.000 1.293 286 L CA -1.057 53.776 54.840 -0.011 0.000 1.280 286 L CB 1.032 43.072 42.059 -0.031 0.000 1.993 286 L HN 0.029 nan 8.230 nan 0.000 0.577 287 L N 1.576 122.786 121.223 -0.021 0.000 2.418 287 L HA 0.033 4.375 4.340 0.004 0.000 0.274 287 L C 1.135 177.998 176.870 -0.011 0.000 1.135 287 L CA 0.776 55.610 54.840 -0.010 0.000 0.870 287 L CB -0.193 41.857 42.059 -0.016 0.000 1.154 287 L HN 0.751 nan 8.230 nan 0.000 0.462 288 M N 2.299 121.899 119.600 -0.001 0.000 2.926 288 M HA -0.459 4.024 4.480 0.004 0.000 0.284 288 M C 1.430 177.535 176.300 -0.324 0.000 0.479 288 M CA 2.774 58.044 55.300 -0.050 0.000 0.797 288 M CB -0.568 32.045 32.600 0.021 0.000 1.765 288 M HN 0.637 nan 8.290 nan 0.000 0.495 289 W N 0.498 121.304 121.300 -0.823 0.000 2.199 289 W HA -0.339 4.323 4.660 0.004 0.000 0.330 289 W C 2.329 178.213 176.519 -1.058 0.000 1.299 289 W CA 3.206 59.648 57.345 -1.504 0.000 1.122 289 W CB -1.578 27.334 29.460 -0.914 0.000 1.067 289 W HN 0.668 nan 8.180 nan 0.000 0.498 290 I N -2.140 118.315 120.570 -0.190 0.000 2.147 290 I HA -0.302 3.871 4.170 0.004 0.000 0.245 290 I C -0.581 175.583 176.117 0.079 0.000 1.059 290 I CA 1.383 62.660 61.300 -0.038 0.000 1.320 290 I CB -2.841 35.132 38.000 -0.046 0.000 1.021 290 I HN -0.005 nan 8.210 nan 0.000 0.415 291 P HA -0.257 nan 4.420 nan 0.000 0.219 291 P C 1.157 178.600 177.300 0.238 0.000 0.910 291 P CA 2.381 65.570 63.100 0.149 0.000 1.033 291 P CB -0.295 31.463 31.700 0.097 0.000 0.630 292 D N -1.957 118.613 120.400 0.282 0.000 2.264 292 D HA -0.168 4.475 4.640 0.004 0.000 0.208 292 D C 1.591 178.090 176.300 0.331 0.000 0.966 292 D CA 1.056 55.220 54.000 0.273 0.000 0.864 292 D CB -0.883 40.073 40.800 0.260 0.000 0.933 292 D HN 0.221 nan 8.370 nan 0.000 0.499 293 W N 1.238 122.548 121.300 0.017 0.000 2.358 293 W HA 0.015 4.677 4.660 0.003 0.000 0.303 293 W C 2.333 178.878 176.519 0.043 0.000 1.208 293 W CA -0.106 57.232 57.345 -0.011 0.000 1.274 293 W CB -1.561 27.879 29.460 -0.035 0.000 1.138 293 W HN 0.029 nan 8.180 nan 0.000 0.515 294 F N 1.149 121.201 119.950 0.169 0.000 2.234 294 F HA 0.025 4.555 4.527 0.004 0.000 0.299 294 F C 2.221 178.008 175.800 -0.022 0.000 1.087 294 F CA 1.606 59.620 58.000 0.023 0.000 1.340 294 F CB -0.471 38.517 39.000 -0.020 0.000 1.031 294 F HN -0.112 nan 8.300 nan 0.000 0.500 295 G N 0.888 109.559 108.800 -0.214 0.000 2.491 295 G HA2 -0.304 3.659 3.960 0.004 0.000 0.218 295 G HA3 -0.304 3.659 3.960 0.004 0.000 0.218 295 G C 1.571 176.328 174.900 -0.239 0.000 1.180 295 G CA 1.710 46.615 45.100 -0.325 0.000 0.774 295 G HN 0.343 nan 8.290 nan 0.000 0.562 296 V N 1.535 121.392 119.914 -0.095 0.000 2.295 296 V HA -0.269 3.853 4.120 0.004 0.000 0.246 296 V C 2.697 178.790 176.094 -0.001 0.000 1.049 296 V CA 2.212 64.488 62.300 -0.041 0.000 1.024 296 V CB -0.779 31.020 31.823 -0.040 0.000 0.648 296 V HN 0.510 nan 8.190 nan 0.000 0.447 297 M N 1.170 120.756 119.600 -0.022 0.000 2.226 297 M HA -0.343 4.140 4.480 0.004 0.000 0.257 297 M C 2.276 178.565 176.300 -0.018 0.000 1.070 297 M CA 2.899 58.216 55.300 0.028 0.000 1.087 297 M CB -0.871 31.775 32.600 0.078 0.000 1.278 297 M HN 0.575 nan 8.290 nan 0.000 0.426 298 N N -0.270 118.255 118.700 -0.292 0.000 2.069 298 N HA -0.171 4.571 4.740 0.004 0.000 0.191 298 N C 1.694 177.118 175.510 -0.144 0.000 1.031 298 N CA 2.094 54.911 53.050 -0.388 0.000 0.852 298 N CB -0.123 37.914 38.487 -0.750 0.000 1.018 298 N HN 0.330 nan 8.380 nan 0.000 0.423 299 V N 0.363 120.213 119.914 -0.106 0.000 2.250 299 V HA -0.266 3.856 4.120 0.004 0.000 0.250 299 V C 1.978 178.093 176.094 0.035 0.000 1.060 299 V CA 2.335 64.618 62.300 -0.028 0.000 1.030 299 V CB -0.864 30.944 31.823 -0.025 0.000 0.643 299 V HN 0.541 nan 8.190 nan 0.000 0.445 300 W N 0.629 121.875 121.300 -0.091 0.000 2.363 300 W HA -0.214 4.448 4.660 0.004 0.000 0.296 300 W C 2.524 178.978 176.519 -0.109 0.000 1.212 300 W CA 2.297 59.550 57.345 -0.153 0.000 1.260 300 W CB -0.460 28.876 29.460 -0.206 0.000 1.131 300 W HN 0.244 nan 8.180 nan 0.000 0.530 301 T N 1.864 116.560 114.554 0.237 0.000 2.555 301 T HA -0.325 4.028 4.350 0.004 0.000 0.264 301 T C 1.840 176.527 174.700 -0.021 0.000 1.083 301 T CA 2.563 64.747 62.100 0.139 0.000 1.179 301 T CB -1.043 67.884 68.868 0.098 0.000 0.863 301 T HN 0.181 nan 8.240 nan 0.000 0.412 302 L N 0.309 121.539 121.223 0.012 0.000 2.010 302 L HA -0.184 4.159 4.340 0.004 0.000 0.219 302 L C 2.591 179.421 176.870 -0.066 0.000 1.077 302 L CA 1.159 56.019 54.840 0.033 0.000 0.773 302 L CB -1.114 40.979 42.059 0.057 0.000 0.892 302 L HN 0.152 nan 8.230 nan 0.000 0.436 303 L N -0.479 120.637 121.223 -0.179 0.000 1.997 303 L HA -0.229 4.114 4.340 0.004 0.000 0.216 303 L C 2.480 179.137 176.870 -0.355 0.000 1.074 303 L CA 1.644 56.316 54.840 -0.280 0.000 0.763 303 L CB -0.899 40.908 42.059 -0.421 0.000 0.890 303 L HN 0.002 nan 8.230 nan 0.000 0.434 304 V N 0.463 120.037 119.914 -0.567 0.000 2.216 304 V HA -0.190 3.932 4.120 0.004 0.000 0.243 304 V C -0.252 175.727 176.094 -0.192 0.000 1.044 304 V CA 2.265 64.266 62.300 -0.497 0.000 0.995 304 V CB -1.917 29.446 31.823 -0.766 0.000 0.633 304 V HN 0.352 nan 8.190 nan 0.000 0.446 305 P HA -0.190 nan 4.420 nan 0.000 0.219 305 P C 1.532 178.926 177.300 0.157 0.000 1.146 305 P CA 2.222 65.354 63.100 0.054 0.000 0.808 305 P CB -0.102 31.670 31.700 0.121 0.000 0.779 306 A N 1.142 124.025 122.820 0.105 0.000 1.858 306 A HA -0.072 4.251 4.320 0.004 0.000 0.216 306 A C 2.491 180.004 177.584 -0.118 0.000 1.190 306 A CA 2.299 54.396 52.037 0.100 0.000 0.617 306 A CB -1.625 17.340 19.000 -0.058 0.000 0.827 306 A HN 0.227 nan 8.150 nan 0.000 0.443 307 A N -1.281 121.504 122.820 -0.059 0.000 2.172 307 A HA 0.130 4.453 4.320 0.004 0.000 0.216 307 A C 1.955 179.503 177.584 -0.061 0.000 1.154 307 A CA 1.472 53.502 52.037 -0.011 0.000 0.701 307 A CB -0.439 18.544 19.000 -0.028 0.000 0.789 307 A HN 0.521 nan 8.150 nan 0.000 0.465 308 L N -0.477 120.691 121.223 -0.093 0.000 2.013 308 L HA 0.029 4.372 4.340 0.004 0.000 0.204 308 L C 2.293 179.168 176.870 0.008 0.000 1.081 308 L CA 2.426 57.183 54.840 -0.139 0.000 0.751 308 L CB -1.302 40.678 42.059 -0.132 0.000 0.901 308 L HN 0.553 nan 8.230 nan 0.000 0.440 309 F N -1.698 118.254 119.950 0.003 0.000 2.216 309 F HA -0.189 4.340 4.527 0.004 0.000 0.300 309 F C 2.166 178.039 175.800 0.121 0.000 1.085 309 F CA 1.260 59.278 58.000 0.030 0.000 1.326 309 F CB -1.346 37.649 39.000 -0.009 0.000 1.027 309 F HN 0.069 nan 8.300 nan 0.000 0.497 310 F N -0.297 119.033 119.950 -1.034 0.000 2.102 310 F HA -0.163 4.366 4.527 0.004 0.000 0.298 310 F C 2.506 178.148 175.800 -0.263 0.000 1.105 310 F CA 1.007 58.517 58.000 -0.816 0.000 1.239 310 F CB -0.460 38.078 39.000 -0.769 0.000 0.991 310 F HN 0.092 nan 8.300 nan 0.000 0.474 311 F N 0.559 120.450 119.950 -0.099 0.000 2.043 311 F HA -0.253 4.277 4.527 0.004 0.000 0.297 311 F C 2.383 178.168 175.800 -0.025 0.000 1.121 311 F CA 1.595 59.562 58.000 -0.054 0.000 1.199 311 F CB -0.785 38.192 39.000 -0.039 0.000 0.968 311 F HN -0.057 nan 8.300 nan 0.000 0.478 312 G N -0.675 108.154 108.800 0.049 0.000 2.556 312 G HA2 -0.212 3.751 3.960 0.004 0.000 0.215 312 G HA3 -0.212 3.751 3.960 0.004 0.000 0.215 312 G C 1.614 176.537 174.900 0.039 0.000 1.258 312 G CA 0.732 45.823 45.100 -0.016 0.000 0.811 312 G HN 0.539 nan 8.290 nan 0.000 0.557 313 A N 0.360 123.261 122.820 0.136 0.000 2.186 313 A HA 0.216 4.539 4.320 0.004 0.000 0.219 313 A C 2.336 180.068 177.584 0.246 0.000 1.159 313 A CA 2.096 54.291 52.037 0.263 0.000 0.680 313 A CB -0.575 18.568 19.000 0.239 0.000 0.787 313 A HN 0.589 nan 8.150 nan 0.000 0.467 314 G N -1.281 107.571 108.800 0.087 0.000 2.641 314 G HA2 0.063 4.025 3.960 0.004 0.000 0.211 314 G HA3 0.063 4.025 3.960 0.004 0.000 0.211 314 G C 1.454 176.333 174.900 -0.036 0.000 1.190 314 G CA 0.538 45.621 45.100 -0.027 0.000 0.842 314 G HN 0.359 nan 8.290 nan 0.000 0.585 315 M N 0.474 119.998 119.600 -0.127 0.000 2.446 315 M HA 0.180 4.662 4.480 0.004 0.000 0.263 315 M C 2.130 178.367 176.300 -0.106 0.000 1.066 315 M CA 0.767 55.978 55.300 -0.148 0.000 1.087 315 M CB -0.134 32.316 32.600 -0.249 0.000 1.406 315 M HN 0.109 nan 8.290 nan 0.000 0.459 316 L N -1.321 119.851 121.223 -0.085 0.000 2.509 316 L HA 0.106 4.448 4.340 0.004 0.000 0.222 316 L C 0.523 177.275 176.870 -0.197 0.000 1.123 316 L CA -0.102 54.641 54.840 -0.162 0.000 0.856 316 L CB 0.016 41.932 42.059 -0.239 0.000 0.985 316 L HN 0.083 nan 8.230 nan 0.000 0.456 317 F N 0.086 119.995 119.950 -0.068 0.000 2.291 317 F HA 0.220 4.750 4.527 0.004 0.000 0.305 317 F C -1.061 174.708 175.800 -0.051 0.000 1.171 317 F CA -1.615 56.355 58.000 -0.049 0.000 1.090 317 F CB -0.376 38.600 39.000 -0.040 0.000 1.436 317 F HN -0.295 nan 8.300 nan 0.000 0.509 318 P HA -0.086 nan 4.420 nan 0.000 0.223 318 P C 0.406 177.738 177.300 0.054 0.000 1.144 318 P CA 1.235 64.384 63.100 0.082 0.000 0.783 318 P CB 0.009 31.756 31.700 0.078 0.000 0.771 319 L N -1.501 119.772 121.223 0.084 0.000 2.912 319 L HA 0.182 4.525 4.340 0.004 0.000 0.246 319 L C 1.526 178.385 176.870 -0.018 0.000 1.371 319 L CA -0.243 54.601 54.840 0.007 0.000 1.196 319 L CB -0.794 41.255 42.059 -0.017 0.000 1.596 319 L HN 0.004 nan 8.230 nan 0.000 0.429 320 A N -0.552 122.259 122.820 -0.015 0.000 1.944 320 A HA 0.023 4.345 4.320 0.004 0.000 0.207 320 A C 2.204 179.763 177.584 -0.043 0.000 1.265 320 A CA 0.774 52.790 52.037 -0.036 0.000 0.712 320 A CB -0.082 18.903 19.000 -0.025 0.000 0.915 320 A HN 0.339 nan 8.150 nan 0.000 0.470 321 T N 0.356 114.891 114.554 -0.032 0.000 2.809 321 T HA -0.046 4.307 4.350 0.004 0.000 0.260 321 T C 2.129 176.788 174.700 -0.069 0.000 1.039 321 T CA 1.730 63.812 62.100 -0.030 0.000 1.141 321 T CB -0.202 68.655 68.868 -0.018 0.000 0.869 321 T HN 0.396 nan 8.240 nan 0.000 0.437 322 S N 0.936 116.590 115.700 -0.077 0.000 2.453 322 S HA 0.052 4.525 4.470 0.004 0.000 0.231 322 S C 2.303 176.779 174.600 -0.207 0.000 1.005 322 S CA 0.788 58.914 58.200 -0.124 0.000 0.949 322 S CB -0.484 62.672 63.200 -0.074 0.000 0.774 322 S HN 0.604 nan 8.310 nan 0.000 0.510 323 G N 1.597 110.284 108.800 -0.188 0.000 2.395 323 G HA2 0.087 4.049 3.960 0.004 0.000 0.214 323 G HA3 0.087 4.049 3.960 0.004 0.000 0.214 323 G C 1.588 176.233 174.900 -0.425 0.000 1.177 323 G CA 0.607 45.530 45.100 -0.295 0.000 0.794 323 G HN 0.532 nan 8.290 nan 0.000 0.532 324 A N 1.055 123.726 122.820 -0.248 0.000 1.892 324 A HA -0.151 4.172 4.320 0.004 0.000 0.218 324 A C 2.324 179.768 177.584 -0.233 0.000 1.188 324 A CA 2.309 54.281 52.037 -0.109 0.000 0.631 324 A CB -0.530 18.542 19.000 0.121 0.000 0.822 324 A HN 0.375 nan 8.150 nan 0.000 0.447 325 M N 0.543 119.979 119.600 -0.273 0.000 2.073 325 M HA -0.243 4.240 4.480 0.004 0.000 0.258 325 M C 2.001 177.853 176.300 -0.746 0.000 1.070 325 M CA 2.741 57.777 55.300 -0.440 0.000 1.103 325 M CB -0.936 31.400 32.600 -0.440 0.000 1.321 325 M HN 0.706 nan 8.290 nan 0.000 0.405 326 E N 1.174 120.943 120.200 -0.719 0.000 1.996 326 E HA -0.150 4.203 4.350 0.004 0.000 0.197 326 E C -0.783 175.516 176.600 -0.502 0.000 1.002 326 E CA 0.981 57.009 56.400 -0.621 0.000 0.840 326 E CB -2.320 27.152 29.700 -0.380 0.000 0.786 326 E HN 0.368 nan 8.360 nan 0.000 0.469 327 P HA -0.170 nan 4.420 nan 0.000 0.215 327 P C 1.287 178.395 177.300 -0.319 0.000 1.157 327 P CA 1.459 64.104 63.100 -0.759 0.000 0.868 327 P CB -0.140 30.858 31.700 -1.169 0.000 0.788 328 F N 0.420 120.258 119.950 -0.186 0.000 1.999 328 F HA 0.039 4.568 4.527 0.004 0.000 0.293 328 F C 0.007 175.746 175.800 -0.102 0.000 1.173 328 F CA 0.797 58.713 58.000 -0.140 0.000 1.162 328 F CB -2.949 35.950 39.000 -0.168 0.000 0.981 328 F HN -0.008 nan 8.300 nan 0.000 0.479 329 P HA -0.157 nan 4.420 nan 0.000 0.215 329 P C 1.956 179.367 177.300 0.185 0.000 1.157 329 P CA 1.494 64.613 63.100 0.031 0.000 0.868 329 P CB -0.154 31.513 31.700 -0.056 0.000 0.788 330 F N -1.180 118.760 119.950 -0.017 0.000 2.051 330 F HA -0.143 4.386 4.527 0.005 0.000 0.296 330 F C 2.192 178.008 175.800 0.026 0.000 1.122 330 F CA 1.041 59.041 58.000 -0.001 0.000 1.201 330 F CB -1.763 37.229 39.000 -0.014 0.000 0.978 330 F HN -0.193 nan 8.300 nan 0.000 0.472 331 L N 0.380 121.746 121.223 0.239 0.000 1.943 331 L HA -0.173 4.169 4.340 0.004 0.000 0.215 331 L C 2.721 179.686 176.870 0.159 0.000 1.074 331 L CA 2.216 57.164 54.840 0.180 0.000 0.759 331 L CB -1.850 40.314 42.059 0.175 0.000 0.888 331 L HN 0.123 nan 8.230 nan 0.000 0.433 332 A N -0.349 122.568 122.820 0.162 0.000 1.958 332 A HA -0.222 4.101 4.320 0.004 0.000 0.221 332 A C 2.411 180.055 177.584 0.100 0.000 1.178 332 A CA 2.073 54.191 52.037 0.134 0.000 0.642 332 A CB -1.516 17.542 19.000 0.097 0.000 0.816 332 A HN 0.511 nan 8.150 nan 0.000 0.453 333 G N -1.072 107.792 108.800 0.107 0.000 2.421 333 G HA2 -0.170 3.793 3.960 0.004 0.000 0.216 333 G HA3 -0.170 3.793 3.960 0.004 0.000 0.216 333 G C 1.588 176.532 174.900 0.073 0.000 1.171 333 G CA 1.699 46.852 45.100 0.087 0.000 0.775 333 G HN 0.483 nan 8.290 nan 0.000 0.543 334 T N 1.878 116.480 114.554 0.080 0.000 2.720 334 T HA -0.024 4.328 4.350 0.004 0.000 0.268 334 T C 2.770 177.509 174.700 0.064 0.000 1.037 334 T CA 1.569 63.705 62.100 0.060 0.000 1.144 334 T CB -0.440 68.467 68.868 0.064 0.000 0.864 334 T HN 0.385 nan 8.240 nan 0.000 0.444 335 A N 1.819 124.688 122.820 0.082 0.000 1.883 335 A HA 0.072 4.394 4.320 0.004 0.000 0.217 335 A C 2.722 180.347 177.584 0.067 0.000 1.186 335 A CA 1.944 54.031 52.037 0.084 0.000 0.624 335 A CB -1.568 17.500 19.000 0.113 0.000 0.822 335 A HN 0.522 nan 8.150 nan 0.000 0.444 336 G N -0.574 108.263 108.800 0.061 0.000 2.440 336 G HA2 -0.053 3.909 3.960 0.004 0.000 0.218 336 G HA3 -0.053 3.909 3.960 0.004 0.000 0.218 336 G C 1.757 176.679 174.900 0.036 0.000 1.154 336 G CA 1.730 46.856 45.100 0.044 0.000 0.767 336 G HN 0.855 nan 8.290 nan 0.000 0.552 337 A N 0.680 123.522 122.820 0.037 0.000 1.851 337 A HA -0.003 4.320 4.320 0.004 0.000 0.216 337 A C 2.380 179.983 177.584 0.031 0.000 1.195 337 A CA 1.539 53.594 52.037 0.030 0.000 0.622 337 A CB -0.611 18.405 19.000 0.027 0.000 0.831 337 A HN 0.306 nan 8.150 nan 0.000 0.444 338 L N 0.099 121.345 121.223 0.038 0.000 2.042 338 L HA -0.144 4.199 4.340 0.004 0.000 0.210 338 L C 2.647 179.539 176.870 0.037 0.000 1.076 338 L CA 1.791 56.656 54.840 0.041 0.000 0.749 338 L CB -1.058 41.031 42.059 0.050 0.000 0.893 338 L HN 0.281 nan 8.230 nan 0.000 0.432 339 V N -0.093 119.843 119.914 0.037 0.000 2.332 339 V HA -0.240 3.883 4.120 0.004 0.000 0.248 339 V C 2.687 178.792 176.094 0.020 0.000 1.055 339 V CA 1.791 64.109 62.300 0.030 0.000 1.038 339 V CB -1.365 30.478 31.823 0.034 0.000 0.651 339 V HN 0.574 nan 8.190 nan 0.000 0.450 340 G N 0.049 108.861 108.800 0.019 0.000 2.418 340 G HA2 -0.168 3.794 3.960 0.004 0.000 0.217 340 G HA3 -0.168 3.794 3.960 0.004 0.000 0.217 340 G C 1.657 176.564 174.900 0.013 0.000 1.158 340 G CA 0.945 46.053 45.100 0.014 0.000 0.771 340 G HN 0.594 nan 8.290 nan 0.000 0.545 341 G N 0.897 109.708 108.800 0.018 0.000 2.469 341 G HA2 -0.205 3.757 3.960 0.004 0.000 0.220 341 G HA3 -0.205 3.757 3.960 0.004 0.000 0.220 341 G C 1.816 176.724 174.900 0.014 0.000 1.136 341 G CA 0.854 45.965 45.100 0.018 0.000 0.759 341 G HN 0.433 nan 8.290 nan 0.000 0.562 342 L N 0.047 121.278 121.223 0.013 0.000 2.012 342 L HA -0.185 4.157 4.340 0.004 0.000 0.210 342 L C 3.015 179.881 176.870 -0.007 0.000 1.073 342 L CA 1.791 56.632 54.840 0.002 0.000 0.748 342 L CB -0.515 41.544 42.059 0.001 0.000 0.891 342 L HN 0.399 nan 8.230 nan 0.000 0.431 343 Q N 0.577 120.374 119.800 -0.004 0.000 1.998 343 Q HA -0.317 4.026 4.340 0.004 0.000 0.209 343 Q C 1.819 177.814 176.000 -0.008 0.000 1.002 343 Q CA 2.426 58.225 55.803 -0.008 0.000 0.858 343 Q CB -0.334 28.402 28.738 -0.004 0.000 0.932 343 Q HN 0.553 nan 8.270 nan 0.000 0.416 344 N N -0.006 118.692 118.700 -0.003 0.000 2.494 344 N HA -0.014 4.729 4.740 0.004 0.000 0.182 344 N C 1.920 177.429 175.510 -0.002 0.000 1.076 344 N CA 0.167 53.216 53.050 -0.002 0.000 0.908 344 N CB 0.068 38.556 38.487 0.002 0.000 0.967 344 N HN 0.378 nan 8.380 nan 0.000 0.449 345 I N 0.600 121.169 120.570 -0.002 0.000 2.179 345 I HA -0.164 4.008 4.170 0.004 0.000 0.242 345 I C 2.198 178.308 176.117 -0.012 0.000 1.088 345 I CA 1.098 62.398 61.300 -0.001 0.000 1.357 345 I CB -0.255 37.747 38.000 0.003 0.000 1.051 345 I HN 0.074 nan 8.210 nan 0.000 0.409 346 G N -0.478 108.309 108.800 -0.022 0.000 2.434 346 G HA2 -0.231 3.731 3.960 0.004 0.000 0.214 346 G HA3 -0.231 3.731 3.960 0.004 0.000 0.214 346 G C 1.613 176.501 174.900 -0.020 0.000 1.202 346 G CA 0.817 45.900 45.100 -0.029 0.000 0.788 346 G HN 0.424 nan 8.290 nan 0.000 0.539 347 S N 0.513 116.204 115.700 -0.015 0.000 2.440 347 S HA -0.061 4.411 4.470 0.004 0.000 0.240 347 S C 2.105 176.700 174.600 -0.007 0.000 1.014 347 S CA 1.272 59.465 58.200 -0.011 0.000 0.980 347 S CB -0.174 63.021 63.200 -0.009 0.000 0.775 347 S HN 0.573 nan 8.310 nan 0.000 0.499 348 G N -0.535 108.262 108.800 -0.005 0.000 3.192 348 G HA2 0.165 4.128 3.960 0.004 0.000 0.239 348 G HA3 0.165 4.128 3.960 0.004 0.000 0.239 348 G C 0.778 175.678 174.900 0.000 0.000 1.084 348 G CA -0.118 44.981 45.100 -0.001 0.000 0.784 348 G HN 0.372 nan 8.290 nan 0.000 0.540 349 V N 1.290 121.201 119.914 -0.005 0.000 3.592 349 V HA 0.098 4.221 4.120 0.004 0.000 0.272 349 V C 2.200 178.291 176.094 -0.005 0.000 1.228 349 V CA 0.323 62.620 62.300 -0.004 0.000 1.173 349 V CB -0.193 31.621 31.823 -0.016 0.000 0.873 349 V HN 0.312 nan 8.190 nan 0.000 0.476 350 L N 1.716 122.936 121.223 -0.004 0.000 2.671 350 L HA -0.040 4.303 4.340 0.004 0.000 0.236 350 L C 1.900 178.770 176.870 0.001 0.000 1.178 350 L CA 1.714 56.551 54.840 -0.004 0.000 0.829 350 L CB -0.787 41.271 42.059 -0.003 0.000 0.956 350 L HN 0.343 nan 8.230 nan 0.000 0.455 351 A N -0.487 122.336 122.820 0.004 0.000 2.863 351 A HA 0.111 4.433 4.320 0.004 0.000 0.246 351 A C 1.209 178.799 177.584 0.009 0.000 1.772 351 A CA 0.325 52.367 52.037 0.008 0.000 1.456 351 A CB -1.355 17.652 19.000 0.013 0.000 0.930 351 A HN 0.342 nan 8.150 nan 0.000 0.630 352 S N -0.266 115.438 115.700 0.006 0.000 3.602 352 S HA -0.025 4.447 4.470 0.004 0.000 0.408 352 S C 0.741 175.348 174.600 0.011 0.000 0.779 352 S CA 1.195 59.399 58.200 0.006 0.000 1.992 352 S CB -0.473 62.729 63.200 0.003 0.000 1.120 352 S HN 0.717 nan 8.310 nan 0.000 0.624 353 L N 0.861 122.092 121.223 0.014 0.000 1.240 353 L HA 0.006 4.349 4.340 0.004 0.000 0.056 353 L C 0.828 177.715 176.870 0.028 0.000 1.516 353 L CA 0.676 55.528 54.840 0.021 0.000 1.123 353 L CB -0.933 41.141 42.059 0.025 0.000 2.272 353 L HN 0.431 nan 8.230 nan 0.000 0.440 354 S N 0.066 115.785 115.700 0.031 0.000 3.586 354 S HA -0.231 4.242 4.470 0.004 0.000 0.309 354 S C 1.219 175.857 174.600 0.064 0.000 1.195 354 S CA 1.295 59.519 58.200 0.040 0.000 0.895 354 S CB -1.928 61.289 63.200 0.030 0.000 0.983 354 S HN 0.894 nan 8.310 nan 0.000 0.563 355 A N 2.247 125.105 122.820 0.063 0.000 2.654 355 A HA -0.308 4.015 4.320 0.004 0.000 0.228 355 A C 2.077 179.705 177.584 0.074 0.000 1.418 355 A CA 2.382 54.462 52.037 0.072 0.000 1.034 355 A CB -0.845 18.186 19.000 0.051 0.000 0.682 355 A HN 0.511 nan 8.150 nan 0.000 0.524 356 M N -0.453 119.177 119.600 0.051 0.000 2.426 356 M HA -0.111 4.371 4.480 0.004 0.000 0.261 356 M C 1.990 178.321 176.300 0.052 0.000 1.068 356 M CA 1.212 56.538 55.300 0.043 0.000 1.066 356 M CB -1.575 31.043 32.600 0.030 0.000 1.399 356 M HN 0.498 nan 8.290 nan 0.000 0.449 357 L N -0.363 120.897 121.223 0.063 0.000 1.971 357 L HA -0.137 4.206 4.340 0.004 0.000 0.208 357 L C -0.273 176.660 176.870 0.105 0.000 1.083 357 L CA 1.219 56.099 54.840 0.067 0.000 0.753 357 L CB -2.443 39.649 42.059 0.055 0.000 0.893 357 L HN 0.112 nan 8.230 nan 0.000 0.436 358 P HA -0.140 nan 4.420 nan 0.000 0.220 358 P C 1.516 178.979 177.300 0.271 0.000 1.148 358 P CA 0.951 64.228 63.100 0.295 0.000 0.803 358 P CB 0.020 31.948 31.700 0.379 0.000 0.782 359 Q N -1.250 118.643 119.800 0.155 0.000 2.170 359 Q HA -0.125 4.217 4.340 0.004 0.000 0.203 359 Q C 2.190 178.175 176.000 -0.026 0.000 0.976 359 Q CA 1.553 57.346 55.803 -0.017 0.000 0.858 359 Q CB -1.460 27.280 28.738 0.003 0.000 0.907 359 Q HN 0.206 nan 8.270 nan 0.000 0.433 360 T N -0.158 114.410 114.554 0.023 0.000 2.788 360 T HA -0.096 4.256 4.350 0.004 0.000 0.268 360 T C 1.643 176.350 174.700 0.013 0.000 1.044 360 T CA 1.417 63.526 62.100 0.015 0.000 1.139 360 T CB -0.247 68.637 68.868 0.027 0.000 0.867 360 T HN 0.510 nan 8.240 nan 0.000 0.454 361 G N 0.386 109.210 108.800 0.039 0.000 2.453 361 G HA2 -0.246 3.716 3.960 0.004 0.000 0.215 361 G HA3 -0.246 3.716 3.960 0.004 0.000 0.215 361 G C 1.450 176.352 174.900 0.002 0.000 1.201 361 G CA 1.103 46.230 45.100 0.046 0.000 0.784 361 G HN 0.574 nan 8.290 nan 0.000 0.545 362 Q N 0.209 119.972 119.800 -0.062 0.000 1.985 362 Q HA -0.108 4.235 4.340 0.004 0.000 0.207 362 Q C 2.686 178.621 176.000 -0.109 0.000 0.996 362 Q CA 2.211 57.914 55.803 -0.166 0.000 0.851 362 Q CB -0.874 27.575 28.738 -0.483 0.000 0.921 362 Q HN 0.356 nan 8.270 nan 0.000 0.418 363 G N 0.099 108.837 108.800 -0.104 0.000 2.442 363 G HA2 -0.315 3.648 3.960 0.004 0.000 0.219 363 G HA3 -0.315 3.648 3.960 0.004 0.000 0.219 363 G C 1.481 176.366 174.900 -0.025 0.000 1.141 363 G CA 1.038 46.103 45.100 -0.057 0.000 0.763 363 G HN 0.456 nan 8.290 nan 0.000 0.554 364 S N -0.128 115.563 115.700 -0.016 0.000 2.351 364 S HA -0.094 4.378 4.470 0.004 0.000 0.220 364 S C 2.251 176.854 174.600 0.006 0.000 1.035 364 S CA 1.276 59.475 58.200 -0.000 0.000 1.031 364 S CB -0.384 62.821 63.200 0.008 0.000 0.928 364 S HN 0.225 nan 8.310 nan 0.000 0.433 365 L N 1.235 122.462 121.223 0.007 0.000 2.079 365 L HA -0.058 4.284 4.340 0.004 0.000 0.210 365 L C 2.357 179.240 176.870 0.022 0.000 1.081 365 L CA 2.202 57.054 54.840 0.020 0.000 0.752 365 L CB -1.860 40.212 42.059 0.022 0.000 0.896 365 L HN 0.539 nan 8.230 nan 0.000 0.433 366 G N 0.207 109.011 108.800 0.008 0.000 2.511 366 G HA2 -0.260 3.703 3.960 0.004 0.000 0.216 366 G HA3 -0.260 3.703 3.960 0.004 0.000 0.216 366 G C 1.468 176.381 174.900 0.022 0.000 1.218 366 G CA 0.557 45.667 45.100 0.017 0.000 0.788 366 G HN 0.298 nan 8.290 nan 0.000 0.560 367 L N 0.182 121.412 121.223 0.012 0.000 2.201 367 L HA 0.042 4.385 4.340 0.004 0.000 0.212 367 L C 2.747 179.623 176.870 0.009 0.000 1.105 367 L CA 0.793 55.640 54.840 0.010 0.000 0.775 367 L CB -1.174 40.888 42.059 0.005 0.000 0.913 367 L HN 0.207 nan 8.230 nan 0.000 0.440 368 L N -0.422 120.810 121.223 0.014 0.000 2.046 368 L HA -0.203 4.139 4.340 0.004 0.000 0.208 368 L C 2.436 179.318 176.870 0.020 0.000 1.077 368 L CA 1.608 56.457 54.840 0.015 0.000 0.747 368 L CB -0.464 41.609 42.059 0.024 0.000 0.896 368 L HN 0.187 nan 8.230 nan 0.000 0.432 369 M N -1.306 118.316 119.600 0.037 0.000 2.296 369 M HA -0.106 4.377 4.480 0.004 0.000 0.265 369 M C 1.947 178.253 176.300 0.009 0.000 1.064 369 M CA 1.768 57.096 55.300 0.047 0.000 1.109 369 M CB -0.794 31.857 32.600 0.085 0.000 1.396 369 M HN 0.274 nan 8.290 nan 0.000 0.430 370 T N 1.537 116.096 114.554 0.008 0.000 2.614 370 T HA -0.135 4.217 4.350 0.004 0.000 0.263 370 T C 1.687 176.377 174.700 -0.017 0.000 1.055 370 T CA 2.158 64.258 62.100 0.001 0.000 1.162 370 T CB -0.786 68.086 68.868 0.007 0.000 0.863 370 T HN 0.574 nan 8.240 nan 0.000 0.414 371 L N 0.251 121.461 121.223 -0.021 0.000 2.012 371 L HA -0.024 4.318 4.340 0.004 0.000 0.210 371 L C 2.544 179.375 176.870 -0.065 0.000 1.073 371 L CA 1.863 56.680 54.840 -0.038 0.000 0.748 371 L CB -1.233 40.806 42.059 -0.032 0.000 0.891 371 L HN 0.126 nan 8.230 nan 0.000 0.431 372 M N 0.567 120.128 119.600 -0.066 0.000 2.149 372 M HA -0.104 4.379 4.480 0.004 0.000 0.261 372 M C 2.303 178.500 176.300 -0.172 0.000 1.064 372 M CA 1.793 57.028 55.300 -0.108 0.000 1.102 372 M CB -1.147 31.413 32.600 -0.067 0.000 1.369 372 M HN 0.610 nan 8.290 nan 0.000 0.408 373 G N 0.911 109.626 108.800 -0.142 0.000 2.639 373 G HA2 -0.279 3.683 3.960 0.004 0.000 0.216 373 G HA3 -0.279 3.683 3.960 0.004 0.000 0.216 373 G C 1.290 176.099 174.900 -0.153 0.000 1.267 373 G CA 1.054 46.056 45.100 -0.162 0.000 0.801 373 G HN 0.349 nan 8.290 nan 0.000 0.592 374 L N 0.069 121.237 121.223 -0.093 0.000 2.042 374 L HA 0.025 4.368 4.340 0.004 0.000 0.210 374 L C 2.627 179.421 176.870 -0.126 0.000 1.076 374 L CA 1.602 56.384 54.840 -0.097 0.000 0.749 374 L CB -0.734 41.287 42.059 -0.064 0.000 0.893 374 L HN 0.202 nan 8.230 nan 0.000 0.432 375 L N -0.853 120.293 121.223 -0.128 0.000 2.081 375 L HA -0.241 4.102 4.340 0.004 0.000 0.212 375 L C 2.311 179.070 176.870 -0.185 0.000 1.080 375 L CA 1.712 56.467 54.840 -0.141 0.000 0.754 375 L CB -0.668 41.308 42.059 -0.139 0.000 0.893 375 L HN 0.351 nan 8.230 nan 0.000 0.433 376 I N -1.456 118.969 120.570 -0.241 0.000 2.584 376 I HA -0.107 4.066 4.170 0.004 0.000 0.255 376 I C 2.245 178.210 176.117 -0.255 0.000 1.145 376 I CA 0.802 61.911 61.300 -0.319 0.000 1.462 376 I CB -0.331 37.367 38.000 -0.502 0.000 1.102 376 I HN 0.032 nan 8.210 nan 0.000 0.433 377 V N 1.395 121.176 119.914 -0.221 0.000 2.546 377 V HA -0.281 3.842 4.120 0.004 0.000 0.254 377 V C 2.518 178.529 176.094 -0.139 0.000 1.076 377 V CA 1.419 63.607 62.300 -0.187 0.000 1.087 377 V CB -0.655 31.061 31.823 -0.180 0.000 0.674 377 V HN 0.367 nan 8.190 nan 0.000 0.470 378 L N -1.104 120.053 121.223 -0.110 0.000 2.072 378 L HA -0.040 4.302 4.340 0.004 0.000 0.205 378 L C 1.633 178.511 176.870 0.013 0.000 1.079 378 L CA 0.548 55.355 54.840 -0.056 0.000 0.752 378 L CB -0.220 41.809 42.059 -0.050 0.000 0.906 378 L HN 0.412 nan 8.230 nan 0.000 0.436 379 C N 0.142 119.456 119.300 0.023 0.000 2.601 379 C HA 0.224 4.687 4.460 0.004 0.000 0.409 379 C C -0.601 174.547 174.990 0.264 0.000 1.293 379 C CA -0.434 58.658 59.018 0.123 0.000 2.101 379 C CB -0.119 27.678 27.740 0.095 0.000 2.639 379 C HN 0.457 nan 8.230 nan 0.000 0.592 380 W N 6.383 127.704 121.300 0.035 0.000 3.473 380 W HA 0.632 5.294 4.660 0.004 0.000 0.324 380 W C -1.995 174.550 176.519 0.043 0.000 1.099 380 W CA -0.666 56.703 57.345 0.040 0.000 1.277 380 W CB 0.351 29.820 29.460 0.015 0.000 1.216 380 W HN 0.612 nan 8.180 nan 0.000 0.423 381 L N 7.559 128.641 121.223 -0.235 0.000 2.472 381 L HA 0.550 4.892 4.340 0.004 0.000 0.260 381 L C -1.027 175.630 176.870 -0.356 0.000 0.963 381 L CA -1.323 53.349 54.840 -0.280 0.000 0.829 381 L CB 2.065 44.070 42.059 -0.089 0.000 1.348 381 L HN 0.343 nan 8.230 nan 0.000 0.408 382 P HA 0.179 nan 4.420 nan 0.000 0.196 382 P C -0.518 176.697 177.300 -0.143 0.000 1.065 382 P CA 0.547 63.487 63.100 -0.267 0.000 0.803 382 P CB 0.396 31.948 31.700 -0.246 0.000 0.673 383 L N 0.000 121.163 121.223 -0.101 0.000 2.949 383 L HA 0.000 4.342 4.340 0.004 0.000 0.249 383 L CA 0.000 54.805 54.840 -0.058 0.000 0.813 383 L CB 0.000 42.044 42.059 -0.026 0.000 0.961 383 L HN 0.000 nan 8.230 nan 0.000 0.502