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_A 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 0.510 121.736 121.223 0.006 0.000 2.011 10 L HA -0.264 4.071 4.340 -0.009 0.000 0.225 10 L C 2.376 179.236 176.870 -0.016 0.000 1.084 10 L CA 2.129 56.969 54.840 0.000 0.000 0.791 10 L CB -1.263 40.802 42.059 0.010 0.000 0.898 10 L HN 0.406 nan 8.230 nan 0.000 0.440 11 L N -1.044 120.168 121.223 -0.019 0.000 2.131 11 L HA -0.150 4.184 4.340 -0.009 0.000 0.210 11 L C 2.795 179.628 176.870 -0.062 0.000 1.092 11 L CA 1.606 56.426 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 -0.904 118.648 119.600 -0.080 0.000 2.108 12 M HA -0.233 4.241 4.480 -0.009 0.000 0.261 12 M C 2.240 178.487 176.300 -0.087 0.000 1.066 12 M CA 1.804 57.036 55.300 -0.113 0.000 1.107 12 M CB -0.482 32.031 32.600 -0.145 0.000 1.356 12 M HN 0.218 nan 8.290 nan 0.000 0.406 13 L N -0.180 121.007 121.223 -0.059 0.000 1.976 13 L HA -0.183 4.151 4.340 -0.009 0.000 0.209 13 L C 2.724 179.562 176.870 -0.055 0.000 1.071 13 L CA 1.455 56.267 54.840 -0.046 0.000 0.746 13 L CB -1.218 40.826 42.059 -0.024 0.000 0.890 13 L HN 0.305 nan 8.230 nan 0.000 0.432 14 V N -1.805 118.080 119.914 -0.048 0.000 2.370 14 V HA -0.291 3.824 4.120 -0.009 0.000 0.252 14 V C 2.397 178.446 176.094 -0.075 0.000 1.068 14 V CA 1.747 64.018 62.300 -0.049 0.000 1.061 14 V CB -0.630 31.171 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 0.084 4.419 4.340 -0.009 0.000 0.205 15 L C 2.498 179.271 176.870 -0.161 0.000 1.073 15 L CA 2.128 56.880 54.840 -0.146 0.000 0.744 15 L CB -1.165 40.795 42.059 -0.165 0.000 0.898 15 L HN 0.331 nan 8.230 nan 0.000 0.435 16 L N -0.465 120.672 121.223 -0.142 0.000 2.042 16 L HA -0.204 4.131 4.340 -0.009 0.000 0.210 16 L C 2.450 179.234 176.870 -0.144 0.000 1.076 16 L CA 1.513 56.263 54.840 -0.151 0.000 0.749 16 L CB -0.127 41.862 42.059 -0.116 0.000 0.893 16 L HN 0.306 nan 8.230 nan 0.000 0.432 17 V N -3.322 116.531 119.914 -0.102 0.000 2.453 17 V HA -0.104 4.010 4.120 -0.009 0.000 0.247 17 V C 2.496 178.541 176.094 -0.083 0.000 1.048 17 V CA 1.300 63.553 62.300 -0.079 0.000 1.049 17 V CB -1.220 30.575 31.823 -0.046 0.000 0.672 17 V HN 0.361 nan 8.190 nan 0.000 0.457 18 A N 1.032 123.799 122.820 -0.089 0.000 1.859 18 A HA -0.191 4.124 4.320 -0.009 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 0.979 nan 8.150 nan 0.000 0.446 19 V N 0.399 120.223 119.914 -0.149 0.000 2.392 19 V HA -0.129 3.985 4.120 -0.009 0.000 0.249 19 V C 2.301 178.270 176.094 -0.209 0.000 1.059 19 V CA 2.787 64.968 62.300 -0.198 0.000 1.051 19 V CB -1.300 30.296 31.823 -0.378 0.000 0.658 19 V HN 0.583 nan 8.190 nan 0.000 0.455 20 G N 0.526 109.208 108.800 -0.197 0.000 2.491 20 G HA2 -0.359 3.596 3.960 -0.009 0.000 0.218 20 G HA3 -0.359 3.596 3.960 -0.009 0.000 0.218 20 G C 1.490 176.354 174.900 -0.060 0.000 1.180 20 G CA 1.225 46.247 45.100 -0.130 0.000 0.774 20 G HN 0.744 nan 8.290 nan 0.000 0.562 21 Q N -0.610 119.160 119.800 -0.049 0.000 2.137 21 Q HA 0.071 4.406 4.340 -0.009 0.000 0.198 21 Q C 2.499 178.464 176.000 -0.058 0.000 0.960 21 Q CA 1.119 56.899 55.803 -0.039 0.000 0.847 21 Q CB -0.416 28.313 28.738 -0.015 0.000 0.915 21 Q HN 0.426 nan 8.270 nan 0.000 0.448 22 M N 1.926 121.509 119.600 -0.029 0.000 2.082 22 M HA -0.185 4.290 4.480 -0.009 0.000 0.258 22 M C 2.412 178.723 176.300 0.019 0.000 1.071 22 M CA 2.543 57.848 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 0.397 nan 8.290 nan 0.000 0.409 23 A N -0.983 121.881 122.820 0.074 0.000 1.902 23 A HA -0.234 4.081 4.320 -0.009 0.000 0.217 23 A C 2.021 179.589 177.584 -0.026 0.000 1.181 23 A CA 1.863 53.984 52.037 0.141 0.000 0.623 23 A CB -0.889 18.350 19.000 0.399 0.000 0.818 23 A HN 0.642 nan 8.150 nan 0.000 0.443 24 Q N -0.186 119.520 119.800 -0.157 0.000 1.856 24 Q HA -0.218 4.116 4.340 -0.009 0.000 0.233 24 Q C 2.217 177.573 176.000 -1.074 0.000 0.995 24 Q CA 3.193 58.615 55.803 -0.634 0.000 0.877 24 Q CB -0.547 28.057 28.738 -0.223 0.000 0.937 24 Q HN 0.678 nan 8.270 nan 0.000 0.423 25 T N -0.112 114.152 114.554 -0.483 0.000 2.737 25 T HA -0.192 4.152 4.350 -0.009 0.000 0.269 25 T C 1.861 176.373 174.700 -0.313 0.000 1.040 25 T CA 1.362 63.240 62.100 -0.371 0.000 1.142 25 T CB -0.436 68.292 68.868 -0.234 0.000 0.861 25 T HN 0.314 nan 8.240 nan 0.000 0.456 26 I N 2.180 122.615 120.570 -0.225 0.000 2.454 26 I HA -0.076 4.089 4.170 -0.009 0.000 0.254 26 I C 2.061 178.130 176.117 -0.080 0.000 1.156 26 I CA 0.293 61.528 61.300 -0.109 0.000 1.433 26 I CB -0.601 37.389 38.000 -0.016 0.000 1.082 26 I HN 0.512 nan 8.210 nan 0.000 0.432 27 Y N -0.932 119.320 120.300 -0.079 0.000 2.439 27 Y HA 0.053 4.599 4.550 -0.008 0.000 0.292 27 Y C 2.056 177.904 175.900 -0.087 0.000 1.130 27 Y CA 0.398 58.426 58.100 -0.120 0.000 1.254 27 Y CB -1.619 36.771 38.460 -0.116 0.000 1.000 27 Y HN 0.135 nan 8.280 nan 0.000 0.554 28 I N 2.110 122.740 120.570 0.099 0.000 2.099 28 I HA -0.211 3.954 4.170 -0.009 0.000 0.239 28 I C -0.155 175.967 176.117 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 0.154 nan 8.210 nan 0.000 0.401 29 P HA -0.161 nan 4.420 nan 0.000 0.215 29 P C 1.516 178.796 177.300 -0.033 0.000 1.157 29 P CA 2.100 65.163 63.100 -0.063 0.000 0.859 29 P CB -0.088 31.566 31.700 -0.076 0.000 0.786 30 A N 0.369 123.176 122.820 -0.022 0.000 1.971 30 A HA -0.224 4.091 4.320 -0.009 0.000 0.222 30 A C 2.319 179.880 177.584 -0.040 0.000 1.182 30 A CA 1.801 53.815 52.037 -0.039 0.000 0.649 30 A CB -1.497 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 -0.415 120.146 120.570 -0.015 0.000 2.090 31 I HA -0.239 3.926 4.170 -0.009 0.000 0.236 31 I C 3.059 179.155 176.117 -0.035 0.000 1.064 31 I CA 1.433 62.716 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 0.855 123.653 122.820 -0.035 0.000 1.929 32 A HA -0.308 4.007 4.320 -0.009 0.000 0.221 32 A C 1.889 179.446 177.584 -0.044 0.000 1.211 32 A CA 2.593 54.599 52.037 -0.051 0.000 0.657 32 A CB -0.978 17.979 19.000 -0.072 0.000 0.827 32 A HN 0.480 nan 8.150 nan 0.000 0.462 33 D N -0.421 119.957 120.400 -0.036 0.000 2.096 33 D HA -0.142 4.492 4.640 -0.009 0.000 0.200 33 D C 2.058 178.347 176.300 -0.018 0.000 0.980 33 D CA 1.617 55.603 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 0.288 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 4.476 4.480 -0.009 0.000 0.263 34 M C 2.223 178.510 176.300 -0.022 0.000 1.063 34 M CA 0.926 56.220 55.300 -0.011 0.000 1.110 34 M CB -1.358 31.238 32.600 -0.006 0.000 1.374 34 M HN 0.056 nan 8.290 nan 0.000 0.411 35 A N -0.267 122.534 122.820 -0.032 0.000 1.930 35 A HA -0.121 4.193 4.320 -0.009 0.000 0.217 35 A C 2.334 179.898 177.584 -0.033 0.000 1.175 35 A CA 1.310 53.326 52.037 -0.036 0.000 0.627 35 A CB -0.589 18.385 19.000 -0.043 0.000 0.815 35 A HN 0.451 nan 8.150 nan 0.000 0.443 36 R N -0.942 119.538 120.500 -0.033 0.000 2.313 36 R HA -0.012 4.322 4.340 -0.009 0.000 0.199 36 R C 0.152 176.437 176.300 -0.024 0.000 0.958 36 R CA 0.741 56.822 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 0.433 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 4.702 4.640 -0.009 0.000 0.229 37 D C -0.417 175.876 176.300 -0.013 0.000 1.238 37 D CA -0.174 53.818 54.000 -0.014 0.000 0.824 37 D CB 0.380 41.175 40.800 -0.008 0.000 1.045 37 D HN 0.039 nan 8.370 nan 0.000 0.500 38 L N -2.514 118.698 121.223 -0.017 0.000 2.242 38 L HA 0.571 4.906 4.340 -0.009 0.000 0.261 38 L C 1.317 178.176 176.870 -0.018 0.000 1.052 38 L CA -0.739 54.092 54.840 -0.016 0.000 0.972 38 L CB -0.704 41.344 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 4.591 4.740 -0.009 0.000 0.198 39 N C 0.289 175.787 175.510 -0.020 0.000 1.057 39 N CA 2.244 55.284 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 1.588 121.489 119.914 -0.023 0.000 2.267 40 V HA 0.305 4.420 4.120 -0.009 0.000 0.254 40 V C 0.127 176.203 176.094 -0.030 0.000 1.144 40 V CA -0.798 61.486 62.300 -0.026 0.000 0.992 40 V CB -0.467 31.340 31.823 -0.026 0.000 1.199 40 V HN 0.312 nan 8.190 nan 0.000 0.493 41 R N 1.628 122.110 120.500 -0.030 0.000 2.623 41 R HA 0.228 4.562 4.340 -0.009 0.000 0.271 41 R C 0.837 177.112 176.300 -0.042 0.000 1.043 41 R CA 0.312 56.392 56.100 -0.034 0.000 1.083 41 R CB 0.195 30.477 30.300 -0.030 0.000 0.974 41 R HN 0.597 nan 8.270 nan 0.000 0.436 42 E N 1.574 121.745 120.200 -0.048 0.000 3.520 42 E HA -0.292 4.053 4.350 -0.009 0.000 0.263 42 E C 1.239 177.800 176.600 -0.066 0.000 0.708 42 E CA 2.273 58.636 56.400 -0.061 0.000 0.884 42 E CB -1.192 28.466 29.700 -0.070 0.000 1.469 42 E HN 0.951 nan 8.360 nan 0.000 0.446 43 G N -0.605 108.161 108.800 -0.056 0.000 2.394 43 G HA2 0.032 3.986 3.960 -0.009 0.000 0.215 43 G HA3 0.032 3.986 3.960 -0.009 0.000 0.215 43 G C 1.611 176.483 174.900 -0.047 0.000 1.165 43 G CA 1.478 46.546 45.100 -0.054 0.000 0.784 43 G HN 0.539 nan 8.290 nan 0.000 0.535 44 A N 0.422 123.217 122.820 -0.043 0.000 1.902 44 A HA 0.038 4.352 4.320 -0.009 0.000 0.217 44 A C 2.589 180.147 177.584 -0.043 0.000 1.181 44 A CA 1.903 53.915 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 0.265 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 3.796 4.120 -0.009 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 -0.983 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 0.457 120.228 119.800 -0.048 0.000 2.061 46 Q HA -0.162 4.172 4.340 -0.009 0.000 0.204 46 Q C 2.510 178.500 176.000 -0.017 0.000 0.984 46 Q CA 2.193 57.972 55.803 -0.041 0.000 0.846 46 Q CB -0.569 28.133 28.738 -0.059 0.000 0.902 46 Q HN 0.653 nan 8.270 nan 0.000 0.421 47 S N -0.422 115.265 115.700 -0.021 0.000 2.400 47 S HA -0.128 4.337 4.470 -0.009 0.000 0.232 47 S C 1.993 176.588 174.600 -0.008 0.000 1.025 47 S CA 1.161 59.354 58.200 -0.013 0.000 0.993 47 S CB -0.332 62.855 63.200 -0.022 0.000 0.808 47 S HN 0.167 nan 8.310 nan 0.000 0.478 48 V N 2.021 121.924 119.914 -0.019 0.000 2.407 48 V HA -0.219 3.896 4.120 -0.009 0.000 0.248 48 V C 2.217 178.330 176.094 0.032 0.000 1.055 48 V CA 1.782 64.067 62.300 -0.026 0.000 1.049 48 V CB -0.683 31.114 31.823 -0.044 0.000 0.662 48 V HN 0.476 nan 8.190 nan 0.000 0.455 49 M N 0.303 119.931 119.600 0.048 0.000 2.159 49 M HA -0.078 4.397 4.480 -0.009 0.000 0.263 49 M C 2.267 178.644 176.300 0.127 0.000 1.063 49 M CA 2.034 57.384 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 -0.109 108.739 108.800 0.079 0.000 2.422 50 G HA2 -0.160 3.794 3.960 -0.009 0.000 0.218 50 G HA3 -0.160 3.794 3.960 -0.009 0.000 0.218 50 G C 1.612 176.570 174.900 0.097 0.000 1.146 50 G CA 0.955 46.106 45.100 0.084 0.000 0.769 50 G HN 0.550 nan 8.290 nan 0.000 0.547 51 A N 0.010 122.870 122.820 0.067 0.000 1.972 51 A HA -0.017 4.298 4.320 -0.009 0.000 0.219 51 A C 2.100 179.735 177.584 0.085 0.000 1.169 51 A CA 1.632 53.689 52.037 0.033 0.000 0.635 51 A CB -0.617 18.359 19.000 -0.040 0.000 0.810 51 A HN 0.526 nan 8.150 nan 0.000 0.446 52 Y N 0.381 120.702 120.300 0.035 0.000 2.081 52 Y HA -0.212 4.332 4.550 -0.010 0.000 0.280 52 Y C 1.874 177.841 175.900 0.112 0.000 1.163 52 Y CA 2.142 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 -0.108 121.315 121.223 0.333 0.000 2.376 53 L HA -0.122 4.212 4.340 -0.009 0.000 0.219 53 L C 2.301 179.225 176.870 0.090 0.000 1.133 53 L CA 0.694 55.671 54.840 0.228 0.000 0.816 53 L CB -0.446 41.786 42.059 0.288 0.000 0.933 53 L HN 0.446 nan 8.230 nan 0.000 0.449 54 L N -0.860 120.395 121.223 0.053 0.000 1.994 54 L HA -0.160 4.175 4.340 -0.009 0.000 0.208 54 L C 2.269 179.116 176.870 -0.038 0.000 1.071 54 L CA 2.218 57.059 54.840 0.001 0.000 0.745 54 L CB -1.014 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 -0.917 113.609 114.554 -0.047 0.000 2.564 55 T HA -0.276 4.069 4.350 -0.009 0.000 0.259 55 T C 1.692 176.332 174.700 -0.101 0.000 1.087 55 T CA 2.065 64.120 62.100 -0.075 0.000 1.184 55 T CB -0.969 67.853 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 -0.186 4.359 4.550 -0.010 0.000 0.282 56 Y C 2.489 178.283 175.900 -0.176 0.000 1.179 56 Y CA 1.568 59.519 58.100 -0.248 0.000 1.161 56 Y CB -0.885 37.371 38.460 -0.341 0.000 0.970 56 Y HN 0.225 nan 8.280 nan 0.000 0.511 57 G N -0.375 108.306 108.800 -0.198 0.000 2.552 57 G HA2 -0.346 3.609 3.960 -0.009 0.000 0.216 57 G HA3 -0.346 3.609 3.960 -0.009 0.000 0.216 57 G C 1.718 176.428 174.900 -0.316 0.000 1.240 57 G CA 1.387 46.344 45.100 -0.239 0.000 0.796 57 G HN 0.417 nan 8.290 nan 0.000 0.568 58 V N 0.627 120.402 119.914 -0.232 0.000 2.720 58 V HA -0.139 3.976 4.120 -0.009 0.000 0.256 58 V C 2.919 178.921 176.094 -0.153 0.000 1.082 58 V CA 2.520 64.680 62.300 -0.234 0.000 1.101 58 V CB -0.380 31.351 31.823 -0.153 0.000 0.693 58 V HN 0.361 nan 8.190 nan 0.000 0.479 59 S N -0.623 114.954 115.700 -0.204 0.000 2.355 59 S HA -0.198 4.266 4.470 -0.009 0.000 0.210 59 S C 1.837 176.355 174.600 -0.137 0.000 1.035 59 S CA 1.308 59.425 58.200 -0.137 0.000 1.011 59 S CB -0.498 62.542 63.200 -0.266 0.000 1.000 59 S HN 0.598 nan 8.310 nan 0.000 0.423 60 Q N 0.430 119.919 119.800 -0.518 0.000 2.182 60 Q HA -0.208 4.127 4.340 -0.009 0.000 0.213 60 Q C 2.090 177.653 176.000 -0.729 0.000 1.000 60 Q CA 1.412 56.753 55.803 -0.771 0.000 0.889 60 Q CB -0.734 27.069 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 4.251 4.340 -0.009 0.000 0.219 61 L C 2.192 179.127 176.870 0.107 0.000 1.104 61 L CA 1.628 56.350 54.840 -0.197 0.000 0.792 61 L CB -1.187 40.771 42.059 -0.168 0.000 0.887 61 L HN 0.184 nan 8.230 nan 0.000 0.432 62 F N -1.548 118.353 119.950 -0.082 0.000 2.161 62 F HA -0.292 4.230 4.527 -0.008 0.000 0.300 62 F C 2.425 178.215 175.800 -0.018 0.000 1.089 62 F CA 1.162 59.139 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 -0.030 4.515 4.550 -0.008 0.000 0.292 63 Y C 2.087 177.972 175.900 -0.025 0.000 1.136 63 Y CA 0.674 58.772 58.100 -0.004 0.000 1.255 63 Y CB -0.902 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 1.072 109.768 108.800 -0.173 0.000 2.511 64 G HA2 -0.242 3.713 3.960 -0.009 0.000 0.216 64 G HA3 -0.242 3.713 3.960 -0.009 0.000 0.216 64 G C -0.433 174.338 174.900 -0.215 0.000 1.218 64 G CA 1.034 45.993 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 0.803 63.835 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 -1.329 119.148 120.570 -0.155 0.000 2.394 66 I HA -0.207 3.958 4.170 -0.009 0.000 0.251 66 I C 2.005 177.991 176.117 -0.219 0.000 1.136 66 I CA 1.312 62.536 61.300 -0.126 0.000 1.425 66 I CB -0.601 37.401 38.000 0.004 0.000 1.079 66 I HN -0.057 nan 8.210 nan 0.000 0.425 67 S N -0.236 115.191 115.700 -0.455 0.000 2.419 67 S HA -0.119 4.345 4.470 -0.009 0.000 0.233 67 S C 0.660 175.152 174.600 -0.180 0.000 1.016 67 S CA 0.949 58.896 58.200 -0.422 0.000 0.974 67 S CB -0.270 62.599 63.200 -0.552 0.000 0.786 67 S HN 0.374 nan 8.310 nan 0.000 0.492 68 D N 1.221 121.534 120.400 -0.145 0.000 2.524 68 D HA 0.351 4.985 4.640 -0.009 0.000 0.222 68 D C 0.871 177.137 176.300 -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 0.252 120.727 120.500 -0.041 0.000 5.039 69 R HA 0.117 4.452 4.340 -0.009 0.000 0.033 69 R C -1.186 175.105 176.300 -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 30.631 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 0.413 4.527 4.120 -0.009 0.000 0.265 70 V C -0.800 175.304 176.094 0.018 0.000 1.881 70 V CA 0.889 63.193 62.300 0.005 0.000 0.928 70 V CB 1.325 33.150 31.823 0.004 0.000 1.374 70 V HN 0.973 nan 8.190 nan 0.000 0.440 71 G N 2.722 111.539 108.800 0.029 0.000 2.370 71 G HA2 -0.133 3.822 3.960 -0.009 0.000 0.174 71 G HA3 -0.133 3.822 3.960 -0.009 0.000 0.174 71 G C 0.740 175.673 174.900 0.055 0.000 1.002 71 G CA 0.815 45.941 45.100 0.042 0.000 0.730 71 G HN 0.988 nan 8.290 nan 0.000 0.497 72 R N 1.244 121.777 120.500 0.055 0.000 2.127 72 R HA -0.169 4.166 4.340 -0.009 0.000 0.228 72 R C 2.871 179.186 176.300 0.025 0.000 1.125 72 R CA 2.622 58.756 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 0.341 120.847 120.500 0.011 0.000 2.080 73 R HA -0.038 4.297 4.340 -0.009 0.000 0.236 73 R C -1.044 175.253 176.300 -0.005 0.000 1.137 73 R CA 1.305 57.403 56.100 -0.003 0.000 0.943 73 R CB -2.008 28.291 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 1.128 64.226 63.100 -0.003 0.000 0.913 74 P CB -0.175 31.531 31.700 0.010 0.000 0.738 75 V N -0.032 119.887 119.914 0.008 0.000 2.233 75 V HA -0.241 3.873 4.120 -0.009 0.000 0.247 75 V C 2.462 178.554 176.094 -0.004 0.000 1.050 75 V CA 1.828 64.136 62.300 0.014 0.000 1.010 75 V CB -1.340 30.518 31.823 0.059 0.000 0.637 75 V HN 0.028 nan 8.190 nan 0.000 0.444 76 I N 0.738 121.321 120.570 0.022 0.000 2.032 76 I HA -0.207 3.958 4.170 -0.009 0.000 0.231 76 I C 2.473 178.579 176.117 -0.018 0.000 1.035 76 I CA 2.184 63.490 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 -0.147 121.061 121.223 -0.024 0.000 2.044 77 L HA -0.012 4.323 4.340 -0.009 0.000 0.205 77 L C 2.579 179.429 176.870 -0.034 0.000 1.075 77 L CA 1.474 56.297 54.840 -0.028 0.000 0.747 77 L CB -2.209 39.823 42.059 -0.046 0.000 0.903 77 L HN 0.050 nan 8.230 nan 0.000 0.435 78 V N 1.938 121.819 119.914 -0.055 0.000 2.295 78 V HA -0.152 3.963 4.120 -0.009 0.000 0.246 78 V C 3.045 179.020 176.094 -0.198 0.000 1.049 78 V CA 1.959 64.210 62.300 -0.081 0.000 1.024 78 V CB -1.535 30.253 31.823 -0.058 0.000 0.648 78 V HN 0.595 nan 8.190 nan 0.000 0.447 79 G N -0.596 108.046 108.800 -0.262 0.000 2.524 79 G HA2 -0.281 3.674 3.960 -0.009 0.000 0.215 79 G HA3 -0.281 3.674 3.960 -0.009 0.000 0.215 79 G C 1.617 175.875 174.900 -1.069 0.000 1.239 79 G CA 1.184 45.915 45.100 -0.614 0.000 0.798 79 G HN 0.392 nan 8.290 nan 0.000 0.557 80 M N 1.567 120.884 119.600 -0.471 0.000 2.195 80 M HA -0.136 4.338 4.480 -0.009 0.000 0.260 80 M C 2.960 179.198 176.300 -0.104 0.000 1.066 80 M CA 1.776 56.976 55.300 -0.168 0.000 1.089 80 M CB -0.310 32.371 32.600 0.136 0.000 1.377 80 M HN 0.482 nan 8.290 nan 0.000 0.411 81 S N 0.618 116.297 115.700 -0.035 0.000 2.345 81 S HA -0.152 4.313 4.470 -0.009 0.000 0.220 81 S C 1.839 176.392 174.600 -0.077 0.000 1.031 81 S CA 1.078 59.313 58.200 0.058 0.000 0.996 81 S CB -0.901 62.409 63.200 0.184 0.000 0.882 81 S HN 0.553 nan 8.310 nan 0.000 0.445 82 I N 0.269 120.744 120.570 -0.158 0.000 2.335 82 I HA -0.159 4.005 4.170 -0.009 0.000 0.251 82 I C 1.747 177.909 176.117 0.074 0.000 1.129 82 I CA 1.438 62.696 61.300 -0.070 0.000 1.402 82 I CB -0.195 37.748 38.000 -0.095 0.000 1.069 82 I HN 0.159 nan 8.210 nan 0.000 0.424 83 F N 0.857 120.807 119.950 0.000 0.000 2.216 83 F HA -0.231 4.291 4.527 -0.008 0.000 0.300 83 F C 2.475 178.253 175.800 -0.036 0.000 1.085 83 F CA 1.520 59.513 58.000 -0.013 0.000 1.326 83 F CB -1.394 37.599 39.000 -0.012 0.000 1.027 83 F HN 0.251 nan 8.300 nan 0.000 0.497 84 M N -1.202 118.436 119.600 0.063 0.000 2.460 84 M HA -0.108 4.366 4.480 -0.009 0.000 0.263 84 M C 1.347 177.686 176.300 0.064 0.000 1.071 84 M CA 1.508 56.788 55.300 -0.034 0.000 1.096 84 M CB -0.465 31.920 32.600 -0.359 0.000 1.408 84 M HN 0.062 nan 8.290 nan 0.000 0.463 85 L N 1.543 122.807 121.223 0.068 0.000 2.056 85 L HA 0.031 4.366 4.340 -0.009 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 -1.572 121.308 122.820 0.100 0.000 2.024 86 A HA -0.230 4.085 4.320 -0.009 0.000 0.220 86 A C 2.274 179.916 177.584 0.096 0.000 1.164 86 A CA 2.063 54.151 52.037 0.086 0.000 0.643 86 A CB -0.969 18.079 19.000 0.080 0.000 0.806 86 A HN 0.423 nan 8.150 nan 0.000 0.451 87 T N -0.096 114.534 114.554 0.128 0.000 2.327 87 T HA -0.243 4.101 4.350 -0.009 0.000 0.228 87 T C 1.764 176.620 174.700 0.261 0.000 1.459 87 T CA 2.033 64.250 62.100 0.195 0.000 1.258 87 T CB -0.546 68.480 68.868 0.263 0.000 0.865 87 T HN 0.407 nan 8.240 nan 0.000 0.390 88 L N 1.742 123.168 121.223 0.338 0.000 2.081 88 L HA -0.117 4.218 4.340 -0.009 0.000 0.212 88 L C 2.530 179.481 176.870 0.135 0.000 1.080 88 L CA 1.908 56.909 54.840 0.269 0.000 0.754 88 L CB -0.885 41.182 42.059 0.015 0.000 0.893 88 L HN 0.439 nan 8.230 nan 0.000 0.433 89 V N -1.971 117.994 119.914 0.085 0.000 2.214 89 V HA -0.247 3.867 4.120 -0.009 0.000 0.245 89 V C 2.565 178.693 176.094 0.056 0.000 1.047 89 V CA 1.782 64.116 62.300 0.055 0.000 0.998 89 V CB -2.155 29.692 31.823 0.040 0.000 0.633 89 V HN 0.429 nan 8.190 nan 0.000 0.446 90 A N 1.069 123.922 122.820 0.055 0.000 1.933 90 A HA -0.084 4.231 4.320 -0.009 0.000 0.218 90 A C 2.292 179.904 177.584 0.046 0.000 1.175 90 A CA 2.232 54.293 52.037 0.040 0.000 0.628 90 A CB -1.090 17.927 19.000 0.029 0.000 0.814 90 A HN 1.361 nan 8.150 nan 0.000 0.444 91 V N -2.659 117.300 119.914 0.075 0.000 3.590 91 V HA 0.018 4.132 4.120 -0.009 0.000 0.272 91 V C 1.338 177.482 176.094 0.083 0.000 1.233 91 V CA 1.974 64.319 62.300 0.075 0.000 1.182 91 V CB -1.276 30.603 31.823 0.092 0.000 0.901 91 V HN 0.392 nan 8.190 nan 0.000 0.485 92 T N 0.600 115.198 114.554 0.073 0.000 3.252 92 T HA 0.011 4.356 4.350 -0.009 0.000 0.233 92 T C 1.801 176.521 174.700 0.033 0.000 0.975 92 T CA 1.545 63.682 62.100 0.061 0.000 1.318 92 T CB -0.298 68.602 68.868 0.054 0.000 1.014 92 T HN 0.558 nan 8.240 nan 0.000 0.418 93 T N 2.507 117.077 114.554 0.025 0.000 2.674 93 T HA -0.075 4.270 4.350 -0.009 0.000 0.265 93 T C 2.107 176.813 174.700 0.009 0.000 1.039 93 T CA 1.502 63.610 62.100 0.014 0.000 1.150 93 T CB -0.453 68.421 68.868 0.011 0.000 0.864 93 T HN 0.220 nan 8.240 nan 0.000 0.427 94 S N 1.138 116.845 115.700 0.011 0.000 2.607 94 S HA 0.051 4.515 4.470 -0.009 0.000 0.224 94 S C 2.134 176.734 174.600 0.001 0.000 0.969 94 S CA 0.378 58.580 58.200 0.003 0.000 0.927 94 S CB -0.341 62.859 63.200 0.000 0.000 0.772 94 S HN 0.487 nan 8.310 nan 0.000 0.533 95 S N 2.756 118.463 115.700 0.011 0.000 2.389 95 S HA -0.239 4.226 4.470 -0.009 0.000 0.229 95 S C 1.911 176.506 174.600 -0.009 0.000 1.048 95 S CA 2.045 60.249 58.200 0.007 0.000 1.117 95 S CB -0.651 62.560 63.200 0.019 0.000 1.020 95 S HN 0.566 nan 8.310 nan 0.000 0.430 96 L N 1.087 122.306 121.223 -0.007 0.000 1.933 96 L HA 0.047 4.382 4.340 -0.009 0.000 0.220 96 L C 1.440 178.300 176.870 -0.017 0.000 1.078 96 L CA 1.980 56.812 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 1.652 116.198 114.554 -0.014 0.000 2.741 97 T HA 0.024 4.369 4.350 -0.009 0.000 0.237 97 T C 1.013 175.699 174.700 -0.023 0.000 1.065 97 T CA 0.921 63.011 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 3.797 123.694 119.914 -0.029 0.000 2.164 98 V HA -0.225 3.889 4.120 -0.009 0.000 0.096 98 V C 1.193 177.261 176.094 -0.043 0.000 0.463 98 V CA 1.123 63.400 62.300 -0.037 0.000 1.355 98 V CB -0.820 30.981 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 0.124 4.459 4.340 -0.009 0.000 0.219 99 L C 2.162 179.002 176.870 -0.051 0.000 1.088 99 L CA 1.661 56.480 54.840 -0.035 0.000 0.849 99 L CB -0.034 42.017 42.059 -0.013 0.000 1.012 99 L HN 0.666 nan 8.230 nan 0.000 0.468 100 I N -2.074 118.465 120.570 -0.053 0.000 2.493 100 I HA -0.107 4.058 4.170 -0.009 0.000 0.254 100 I C 2.312 178.369 176.117 -0.100 0.000 1.160 100 I CA 1.336 62.591 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 2.007 124.777 122.820 -0.083 0.000 1.841 101 A HA 0.086 4.401 4.320 -0.009 0.000 0.214 101 A C 2.651 180.170 177.584 -0.109 0.000 1.195 101 A CA 2.289 54.269 52.037 -0.095 0.000 0.611 101 A CB -1.190 17.767 19.000 -0.071 0.000 0.835 101 A HN 0.524 nan 8.150 nan 0.000 0.443 102 A N -0.275 122.493 122.820 -0.086 0.000 1.892 102 A HA -0.142 4.173 4.320 -0.009 0.000 0.218 102 A C 2.457 179.986 177.584 -0.093 0.000 1.188 102 A CA 2.406 54.395 52.037 -0.080 0.000 0.631 102 A CB -1.094 17.867 19.000 -0.064 0.000 0.822 102 A HN 0.489 nan 8.150 nan 0.000 0.447 103 S N 0.025 115.659 115.700 -0.109 0.000 2.359 103 S HA -0.138 4.327 4.470 -0.009 0.000 0.222 103 S C 2.377 176.854 174.600 -0.204 0.000 1.038 103 S CA 1.561 59.671 58.200 -0.149 0.000 1.051 103 S CB -0.805 62.281 63.200 -0.191 0.000 0.944 103 S HN 0.897 nan 8.310 nan 0.000 0.433 104 A N 2.196 124.838 122.820 -0.296 0.000 1.873 104 A HA -0.198 4.117 4.320 -0.009 0.000 0.218 104 A C 2.157 179.384 177.584 -0.595 0.000 1.193 104 A CA 2.035 53.704 52.037 -0.613 0.000 0.629 104 A CB -0.779 17.883 19.000 -0.563 0.000 0.826 104 A HN 0.403 nan 8.150 nan 0.000 0.447 105 M N -0.898 118.519 119.600 -0.304 0.000 2.073 105 M HA -0.187 4.288 4.480 -0.009 0.000 0.258 105 M C 2.142 178.410 176.300 -0.054 0.000 1.070 105 M CA 2.019 57.219 55.300 -0.166 0.000 1.103 105 M CB -1.179 31.361 32.600 -0.099 0.000 1.321 105 M HN 0.432 nan 8.290 nan 0.000 0.405 106 Q N -0.370 119.424 119.800 -0.010 0.000 2.197 106 Q HA -0.082 4.252 4.340 -0.009 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 -1.468 27.316 28.738 0.077 0.000 0.906 106 Q HN 0.712 nan 8.270 nan 0.000 0.426 107 G N 0.565 109.504 108.800 0.233 0.000 2.459 107 G HA2 -0.291 3.663 3.960 -0.009 0.000 0.217 107 G HA3 -0.291 3.663 3.960 -0.009 0.000 0.217 107 G C 1.383 176.513 174.900 0.383 0.000 1.183 107 G CA 1.124 46.488 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 0.163 4.638 4.480 -0.009 0.000 0.260 108 M C 2.292 178.639 176.300 0.079 0.000 1.076 108 M CA 0.964 56.415 55.300 0.252 0.000 1.090 108 M CB -0.645 32.074 32.600 0.198 0.000 1.418 108 M HN 0.148 nan 8.290 nan 0.000 0.486 109 G N -1.154 107.701 108.800 0.090 0.000 2.421 109 G HA2 -0.199 3.755 3.960 -0.009 0.000 0.216 109 G HA3 -0.199 3.755 3.960 -0.009 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 0.982 115.558 114.554 0.037 0.000 2.881 110 T HA -0.023 4.321 4.350 -0.009 0.000 0.270 110 T C 2.436 177.089 174.700 -0.078 0.000 1.068 110 T CA 1.206 63.263 62.100 -0.072 0.000 1.131 110 T CB -0.468 68.276 68.868 -0.207 0.000 0.871 110 T HN 0.325 nan 8.240 nan 0.000 0.479 111 G N 1.372 110.152 108.800 -0.033 0.000 2.432 111 G HA2 -0.155 3.800 3.960 -0.009 0.000 0.219 111 G HA3 -0.155 3.800 3.960 -0.009 0.000 0.219 111 G C 1.627 176.485 174.900 -0.070 0.000 1.135 111 G CA 0.759 45.840 45.100 -0.033 0.000 0.767 111 G HN 0.475 nan 8.290 nan 0.000 0.550 112 V N 1.609 121.440 119.914 -0.139 0.000 2.392 112 V HA -0.107 4.008 4.120 -0.009 0.000 0.249 112 V C 3.140 179.060 176.094 -0.289 0.000 1.059 112 V CA 1.899 64.020 62.300 -0.299 0.000 1.051 112 V CB -1.126 30.387 31.823 -0.516 0.000 0.658 112 V HN 0.427 nan 8.190 nan 0.000 0.455 113 G N 0.302 108.985 108.800 -0.195 0.000 2.442 113 G HA2 -0.194 3.761 3.960 -0.009 0.000 0.219 113 G HA3 -0.194 3.761 3.960 -0.009 0.000 0.219 113 G C 1.619 176.500 174.900 -0.031 0.000 1.141 113 G CA 0.987 46.032 45.100 -0.093 0.000 0.763 113 G HN 0.599 nan 8.290 nan 0.000 0.554 114 G N 0.337 109.112 108.800 -0.041 0.000 2.432 114 G HA2 -0.129 3.826 3.960 -0.009 0.000 0.219 114 G HA3 -0.129 3.826 3.960 -0.009 0.000 0.219 114 G C 1.759 176.671 174.900 0.020 0.000 1.135 114 G CA 1.128 46.222 45.100 -0.011 0.000 0.767 114 G HN 0.337 nan 8.290 nan 0.000 0.550 115 V N 0.679 120.618 119.914 0.041 0.000 2.233 115 V HA -0.241 3.874 4.120 -0.009 0.000 0.247 115 V C 2.732 178.908 176.094 0.136 0.000 1.050 115 V CA 2.266 64.628 62.300 0.102 0.000 1.010 115 V CB -0.443 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 0.135 119.855 119.600 0.199 0.000 2.202 116 M HA -0.115 4.360 4.480 -0.009 0.000 0.262 116 M C 2.031 178.398 176.300 0.110 0.000 1.063 116 M CA 1.851 57.264 55.300 0.187 0.000 1.097 116 M CB -0.848 31.888 32.600 0.226 0.000 1.382 116 M HN 0.343 nan 8.290 nan 0.000 0.413 117 A N 0.530 123.391 122.820 0.069 0.000 1.883 117 A HA -0.251 4.064 4.320 -0.009 0.000 0.217 117 A C 2.118 179.714 177.584 0.019 0.000 1.186 117 A CA 2.240 54.296 52.037 0.032 0.000 0.624 117 A CB -0.786 18.216 19.000 0.004 0.000 0.822 117 A HN 0.681 nan 8.150 nan 0.000 0.444 118 R N -0.795 119.702 120.500 -0.005 0.000 2.120 118 R HA -0.084 4.251 4.340 -0.009 0.000 0.234 118 R C 1.829 178.174 176.300 0.075 0.000 1.123 118 R CA 1.962 58.020 56.100 -0.069 0.000 0.975 118 R CB -1.434 28.753 30.300 -0.189 0.000 0.866 118 R HN 0.349 nan 8.270 nan 0.000 0.446 119 T N 2.160 116.809 114.554 0.159 0.000 2.569 119 T HA -0.105 4.240 4.350 -0.009 0.000 0.263 119 T C 1.947 176.743 174.700 0.161 0.000 1.074 119 T CA 1.642 63.886 62.100 0.241 0.000 1.176 119 T CB -0.344 68.652 68.868 0.215 0.000 0.863 119 T HN 0.111 nan 8.240 nan 0.000 0.410 120 L N 0.916 122.198 121.223 0.099 0.000 1.990 120 L HA -0.096 4.239 4.340 -0.009 0.000 0.213 120 L C -0.431 176.471 176.870 0.053 0.000 1.072 120 L CA 1.626 56.497 54.840 0.052 0.000 0.755 120 L CB -1.707 40.373 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 1.425 178.806 177.300 0.134 0.000 1.144 121 P CA 1.200 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 -0.596 120.016 120.500 0.187 0.000 2.115 122 R HA -0.120 4.215 4.340 -0.009 0.000 0.230 122 R C 1.470 177.940 176.300 0.283 0.000 1.111 122 R CA 1.337 57.636 56.100 0.331 0.000 0.976 122 R CB -0.712 29.828 30.300 0.401 0.000 0.870 122 R HN 0.232 nan 8.270 nan 0.000 0.445 123 D N 0.762 121.231 120.400 0.114 0.000 2.117 123 D HA -0.167 4.467 4.640 -0.009 0.000 0.197 123 D C 1.723 178.011 176.300 -0.021 0.000 0.987 123 D CA 0.723 54.717 54.000 -0.011 0.000 0.829 123 D CB -0.179 40.560 40.800 -0.100 0.000 0.961 123 D HN 0.033 nan 8.370 nan 0.000 0.460 124 L N 0.341 121.582 121.223 0.031 0.000 2.187 124 L HA -0.187 4.148 4.340 -0.009 0.000 0.213 124 L C 2.068 178.997 176.870 0.099 0.000 1.100 124 L CA 1.388 56.253 54.840 0.041 0.000 0.765 124 L CB -0.817 41.277 42.059 0.059 0.000 0.904 124 L HN 0.161 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 4.306 4.550 -0.009 0.000 0.288 125 Y C 2.381 178.323 175.900 0.070 0.000 1.146 125 Y CA 1.940 60.099 58.100 0.099 0.000 1.164 125 Y CB -0.886 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 4.048 4.350 -0.009 0.000 0.198 126 E C 2.342 178.782 176.600 -0.266 0.000 1.002 126 E CA 1.087 57.122 56.400 -0.607 0.000 0.828 126 E CB -0.227 29.233 29.700 -0.399 0.000 0.747 126 E HN 0.585 nan 8.360 nan 0.000 0.491 127 R N -0.794 119.628 120.500 -0.130 0.000 2.115 127 R HA -0.052 4.282 4.340 -0.009 0.000 0.230 127 R C 0.606 176.899 176.300 -0.011 0.000 1.111 127 R CA 1.764 57.833 56.100 -0.053 0.000 0.976 127 R CB 0.233 30.523 30.300 -0.016 0.000 0.870 127 R HN 0.129 nan 8.270 nan 0.000 0.445 128 T N -2.656 111.918 114.554 0.033 0.000 2.168 128 T HA 0.031 4.375 4.350 -0.009 0.000 0.169 128 T C -0.021 174.771 174.700 0.154 0.000 0.707 128 T CA -0.512 61.637 62.100 0.082 0.000 1.189 128 T CB 0.098 69.026 68.868 0.100 0.000 2.706 128 T HN 0.010 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 4.721 4.340 -0.009 0.000 0.217 129 Q C -0.432 175.809 176.000 0.402 0.000 0.818 129 Q CA -0.079 55.895 55.803 0.286 0.000 1.008 129 Q CB 0.014 28.893 28.738 0.235 0.000 1.148 129 Q HN 0.463 nan 8.270 nan 0.000 0.491 130 L N 0.871 122.347 121.223 0.421 0.000 2.483 130 L HA 0.106 4.440 4.340 -0.009 0.000 0.275 130 L C 1.190 178.286 176.870 0.378 0.000 1.220 130 L CA -0.046 55.064 54.840 0.449 0.000 0.833 130 L CB 0.247 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 0.126 120.853 120.500 0.379 0.000 2.437 131 R HA 0.150 4.485 4.340 -0.009 0.000 0.184 131 R C 0.666 177.098 176.300 0.220 0.000 0.850 131 R CA 0.278 56.408 56.100 0.051 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 -1.325 117.858 119.070 0.189 0.000 1.947 132 H HA 0.303 4.854 4.556 -0.009 0.000 0.128 132 H C 1.238 176.653 175.328 0.145 0.000 0.904 132 H CA 0.714 56.837 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 3.970 4.320 -0.009 0.000 0.221 133 A C 2.129 179.751 177.584 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 0.325 119.057 118.700 0.054 0.000 2.020 134 N HA -0.253 4.481 4.740 -0.009 0.000 0.200 134 N C 1.928 177.444 175.510 0.010 0.000 1.054 134 N CA 2.168 55.235 53.050 0.029 0.000 0.874 134 N CB -1.142 37.379 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 0.056 4.520 4.470 -0.009 0.000 0.225 135 S C 2.168 176.753 174.600 -0.025 0.000 1.030 135 S CA 0.537 58.714 58.200 -0.038 0.000 0.999 135 S CB -0.357 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 0.855 122.063 121.223 -0.025 0.000 2.191 136 L HA -0.057 4.277 4.340 -0.009 0.000 0.212 136 L C 2.293 179.214 176.870 0.085 0.000 1.103 136 L CA 0.811 55.686 54.840 0.059 0.000 0.769 136 L CB -0.398 41.738 42.059 0.128 0.000 0.908 136 L HN 0.362 nan 8.230 nan 0.000 0.438 137 L N -0.251 121.006 121.223 0.057 0.000 2.056 137 L HA -0.222 4.113 4.340 -0.009 0.000 0.207 137 L C 2.352 179.235 176.870 0.022 0.000 1.078 137 L CA 1.384 56.248 54.840 0.040 0.000 0.749 137 L CB -0.610 41.461 42.059 0.021 0.000 0.901 137 L HN 0.412 nan 8.230 nan 0.000 0.433 138 N N 0.675 119.383 118.700 0.014 0.000 2.011 138 N HA -0.275 4.460 4.740 -0.009 0.000 0.199 138 N C 1.840 177.353 175.510 0.005 0.000 1.047 138 N CA 2.204 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 0.134 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 -0.044 4.431 4.480 -0.009 0.000 0.259 139 M C 2.400 178.713 176.300 0.022 0.000 1.073 139 M CA 1.988 57.299 55.300 0.017 0.000 1.103 139 M CB -1.194 31.427 32.600 0.036 0.000 1.284 139 M HN 0.444 nan 8.290 nan 0.000 0.420 140 G N 1.123 109.946 108.800 0.039 0.000 2.624 140 G HA2 -0.281 3.674 3.960 -0.009 0.000 0.221 140 G HA3 -0.281 3.674 3.960 -0.009 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 0.804 121.365 120.570 -0.015 0.000 2.099 141 I HA -0.102 4.063 4.170 -0.009 0.000 0.239 141 I C 3.002 179.104 176.117 -0.026 0.000 1.066 141 I CA 1.045 62.331 61.300 -0.023 0.000 1.324 141 I CB -1.101 36.892 38.000 -0.012 0.000 1.037 141 I HN 0.179 nan 8.210 nan 0.000 0.401 142 L N -0.111 121.102 121.223 -0.016 0.000 2.089 142 L HA -0.264 4.071 4.340 -0.009 0.000 0.213 142 L C 2.514 179.369 176.870 -0.024 0.000 1.079 142 L CA 1.096 55.928 54.840 -0.014 0.000 0.758 142 L CB -0.733 41.319 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 3.794 4.120 -0.009 0.000 0.244 143 V C 2.502 178.540 176.094 -0.092 0.000 1.045 143 V CA 2.015 64.278 62.300 -0.061 0.000 0.993 143 V CB -1.332 30.453 31.823 -0.063 0.000 0.633 143 V HN 0.611 nan 8.190 nan 0.000 0.449 144 S N 2.540 118.165 115.700 -0.124 0.000 2.422 144 S HA -0.242 4.223 4.470 -0.009 0.000 0.248 144 S C 0.208 174.758 174.600 -0.084 0.000 1.069 144 S CA 2.198 60.317 58.200 -0.135 0.000 1.214 144 S CB -2.725 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 1.782 179.072 177.300 -0.017 0.000 1.170 145 P CA 0.854 63.936 63.100 -0.029 0.000 0.889 145 P CB -0.296 31.394 31.700 -0.015 0.000 0.782 146 L N -0.775 120.444 121.223 -0.006 0.000 2.064 146 L HA -0.190 4.145 4.340 -0.009 0.000 0.216 146 L C 2.709 179.586 176.870 0.011 0.000 1.077 146 L CA 1.778 56.627 54.840 0.015 0.000 0.766 146 L CB -1.903 40.173 42.059 0.028 0.000 0.890 146 L HN 0.023 nan 8.230 nan 0.000 0.435 147 L N -0.902 120.310 121.223 -0.018 0.000 2.027 147 L HA -0.141 4.194 4.340 -0.009 0.000 0.206 147 L C 2.803 179.655 176.870 -0.030 0.000 1.074 147 L CA 1.806 56.628 54.840 -0.030 0.000 0.745 147 L CB -1.566 40.445 42.059 -0.079 0.000 0.898 147 L HN 0.232 nan 8.230 nan 0.000 0.433 148 A N 1.160 123.956 122.820 -0.041 0.000 1.837 148 A HA -0.155 4.160 4.320 -0.009 0.000 0.216 148 A C -0.345 177.236 177.584 -0.006 0.000 1.210 148 A CA 1.738 53.756 52.037 -0.032 0.000 0.632 148 A CB -2.056 16.926 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 1.054 178.370 177.300 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 31.769 31.700 0.017 0.000 0.961 150 L N -1.026 120.215 121.223 0.031 0.000 1.972 150 L HA -0.049 4.286 4.340 -0.009 0.000 0.209 150 L C 2.089 178.993 176.870 0.057 0.000 1.125 150 L CA 1.249 56.124 54.840 0.058 0.000 0.784 150 L CB -0.529 41.570 42.059 0.067 0.000 0.902 150 L HN -0.154 nan 8.230 nan 0.000 0.444 151 I N -0.274 120.325 120.570 0.048 0.000 2.226 151 I HA -0.209 3.956 4.170 -0.009 0.000 0.245 151 I C 2.400 178.530 176.117 0.022 0.000 1.100 151 I CA 1.367 62.693 61.300 0.043 0.000 1.374 151 I CB -0.825 37.193 38.000 0.029 0.000 1.057 151 I HN 0.505 nan 8.210 nan 0.000 0.413 152 G N 0.325 109.130 108.800 0.009 0.000 2.470 152 G HA2 -0.145 3.810 3.960 -0.009 0.000 0.220 152 G HA3 -0.145 3.810 3.960 -0.009 0.000 0.220 152 G C 1.601 176.509 174.900 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 0.136 108.949 108.800 0.021 0.000 2.464 153 G HA2 0.016 3.971 3.960 -0.009 0.000 0.214 153 G HA3 0.016 3.971 3.960 -0.009 0.000 0.214 153 G C 0.663 175.575 174.900 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 0.905 122.142 121.223 0.023 0.000 2.725 154 L HA 0.498 4.833 4.340 -0.009 0.000 0.270 154 L C 0.499 177.368 176.870 -0.002 0.000 1.422 154 L CA -0.246 54.599 54.840 0.009 0.000 0.770 154 L CB -0.494 41.570 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 4.026 4.340 -0.009 0.000 0.055 155 L C 0.231 177.111 176.870 0.016 0.000 1.466 155 L CA 0.786 55.627 54.840 0.002 0.000 1.613 155 L CB -0.199 41.851 42.059 -0.015 0.000 2.769 155 L HN 0.418 nan 8.230 nan 0.000 1.110 156 D N 1.328 121.735 120.400 0.012 0.000 2.503 156 D HA 0.016 4.650 4.640 -0.009 0.000 0.280 156 D C 0.441 176.768 176.300 0.044 0.000 1.405 156 D CA 1.047 55.074 54.000 0.044 0.000 1.049 156 D CB -0.065 40.749 40.800 0.023 0.000 1.127 156 D HN 0.507 nan 8.370 nan 0.000 0.551 157 T N 0.842 115.472 114.554 0.127 0.000 4.475 157 T HA 0.073 4.418 4.350 -0.009 0.000 0.254 157 T C 1.805 176.611 174.700 0.178 0.000 1.160 157 T CA -0.714 61.475 62.100 0.149 0.000 1.091 157 T CB 0.061 69.052 68.868 0.205 0.000 1.377 157 T HN 0.096 nan 8.240 nan 0.000 1.057 158 M N 1.420 120.972 119.600 -0.080 0.000 2.334 158 M HA 0.038 4.513 4.480 -0.009 0.000 0.265 158 M C 2.193 178.117 176.300 -0.626 0.000 1.085 158 M CA 1.636 56.633 55.300 -0.506 0.000 1.093 158 M CB -1.373 30.994 32.600 -0.389 0.000 1.237 158 M HN 0.886 nan 8.290 nan 0.000 0.457 159 W N 2.073 123.106 121.300 -0.444 0.000 2.611 159 W HA -0.045 4.610 4.660 -0.008 0.000 0.251 159 W C 1.145 177.527 176.519 -0.229 0.000 1.265 159 W CA 0.492 57.623 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 -0.110 4.625 4.740 -0.009 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 2.426 123.831 121.300 0.175 0.000 2.402 161 W HA 0.107 4.761 4.660 -0.009 0.000 0.286 161 W C 1.377 178.003 176.519 0.178 0.000 1.221 161 W CA 0.490 57.931 57.345 0.161 0.000 1.257 161 W CB -0.452 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 1.323 121.781 120.500 -0.070 0.000 2.083 162 R HA -0.127 4.208 4.340 -0.009 0.000 0.237 162 R C 2.442 178.832 176.300 0.151 0.000 1.137 162 R CA 2.105 58.194 56.100 -0.017 0.000 0.951 162 R CB -1.725 28.467 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 -0.199 4.115 4.320 -0.009 0.000 0.215 163 A C 2.685 180.469 177.584 0.335 0.000 1.203 163 A CA 1.636 53.739 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 -2.252 117.251 119.300 0.338 0.000 2.349 164 C HA -0.215 4.239 4.460 -0.009 0.000 0.274 164 C C 2.476 177.681 174.990 0.358 0.000 1.178 164 C CA 1.544 60.806 59.018 0.405 0.000 1.769 164 C CB -1.525 26.396 27.740 0.301 0.000 2.047 164 C HN 0.693 nan 8.230 nan 0.000 0.448 165 Y N 0.276 120.716 120.300 0.235 0.000 2.060 165 Y HA -0.118 4.427 4.550 -0.008 0.000 0.276 165 Y C 2.364 178.336 175.900 0.121 0.000 1.127 165 Y CA 1.693 59.893 58.100 0.166 0.000 1.104 165 Y CB -0.979 37.607 38.460 0.210 0.000 0.983 165 Y HN 0.176 nan 8.280 nan 0.000 0.483 166 L N 0.058 121.609 121.223 0.546 0.000 1.956 166 L HA -0.292 4.043 4.340 -0.009 0.000 0.216 166 L C 2.630 179.630 176.870 0.216 0.000 1.073 166 L CA 2.694 57.745 54.840 0.353 0.000 0.762 166 L CB -1.694 40.508 42.059 0.238 0.000 0.889 166 L HN 0.537 nan 8.230 nan 0.000 0.433 167 F N -0.034 119.966 119.950 0.082 0.000 2.065 167 F HA -0.307 4.215 4.527 -0.009 0.000 0.298 167 F C 2.249 178.058 175.800 0.015 0.000 1.112 167 F CA 1.691 59.710 58.000 0.031 0.000 1.212 167 F CB -0.585 38.421 39.000 0.010 0.000 0.975 167 F HN 0.077 nan 8.300 nan 0.000 0.476 168 L N 0.403 121.221 121.223 -0.675 0.000 2.093 168 L HA -0.091 4.244 4.340 -0.009 0.000 0.208 168 L C 2.346 178.981 176.870 -0.392 0.000 1.085 168 L CA 1.591 55.978 54.840 -0.756 0.000 0.755 168 L CB -1.310 40.493 42.059 -0.427 0.000 0.904 168 L HN 0.494 nan 8.230 nan 0.000 0.435 169 L N -0.828 120.243 121.223 -0.254 0.000 2.027 169 L HA -0.133 4.202 4.340 -0.009 0.000 0.206 169 L C 2.372 179.163 176.870 -0.131 0.000 1.074 169 L CA 1.628 56.347 54.840 -0.202 0.000 0.745 169 L CB -0.222 41.709 42.059 -0.213 0.000 0.898 169 L HN 0.192 nan 8.230 nan 0.000 0.433 170 V N -2.457 117.409 119.914 -0.080 0.000 2.759 170 V HA -0.196 3.918 4.120 -0.009 0.000 0.256 170 V C 2.272 178.322 176.094 -0.075 0.000 1.080 170 V CA 1.431 63.705 62.300 -0.043 0.000 1.101 170 V CB -0.766 31.065 31.823 0.013 0.000 0.698 170 V HN 0.469 nan 8.190 nan 0.000 0.477 171 L N -0.404 120.723 121.223 -0.160 0.000 2.027 171 L HA -0.159 4.176 4.340 -0.009 0.000 0.206 171 L C 2.851 179.641 176.870 -0.133 0.000 1.074 171 L CA 2.169 56.907 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 -0.238 4.217 4.460 -0.009 0.000 0.278 172 C C 3.082 178.001 174.990 -0.120 0.000 1.224 172 C CA 1.097 60.030 59.018 -0.142 0.000 1.732 172 C CB -0.902 26.749 27.740 -0.147 0.000 2.050 172 C HN 0.624 nan 8.230 nan 0.000 0.463 173 A N 0.517 123.282 122.820 -0.091 0.000 1.884 173 A HA -0.054 4.261 4.320 -0.009 0.000 0.219 173 A C 2.550 180.119 177.584 -0.024 0.000 1.197 173 A CA 2.632 54.635 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 0.867 nan 8.150 nan 0.000 0.450 174 G N -1.322 107.476 108.800 -0.003 0.000 2.485 174 G HA2 -0.050 3.905 3.960 -0.009 0.000 0.221 174 G HA3 -0.050 3.905 3.960 -0.009 0.000 0.221 174 G C 1.123 176.089 174.900 0.110 0.000 1.115 174 G CA 1.527 46.658 45.100 0.052 0.000 0.751 174 G HN 0.627 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 4.189 4.120 -0.009 0.000 0.294 175 V C 2.456 178.248 176.094 -0.504 0.000 1.404 175 V CA 1.272 63.563 62.300 -0.013 0.000 1.065 175 V CB 0.065 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 -1.214 113.064 114.554 -0.461 0.000 2.852 176 T HA -0.064 4.281 4.350 -0.009 0.000 0.256 176 T C 1.309 175.444 174.700 -0.942 0.000 1.038 176 T CA 0.862 62.588 62.100 -0.624 0.000 1.141 176 T CB -0.627 68.079 68.868 -0.269 0.000 0.869 176 T HN 0.759 nan 8.240 nan 0.000 0.439 177 F N 1.746 121.694 119.950 -0.004 0.000 2.978 177 F HA -0.114 4.408 4.527 -0.009 0.000 0.248 177 F C -0.080 175.716 175.800 -0.007 0.000 0.994 177 F CA 0.021 58.018 58.000 -0.006 0.000 0.849 177 F CB -2.832 36.163 39.000 -0.008 0.000 0.737 177 F HN 0.408 nan 8.300 nan 0.000 0.800 178 S N 0.906 116.621 115.700 0.026 0.000 2.540 178 S HA 0.707 5.171 4.470 -0.009 0.000 0.275 178 S C 0.729 175.338 174.600 0.015 0.000 1.123 178 S CA -0.435 57.786 58.200 0.034 0.000 0.907 178 S CB 1.210 64.402 63.200 -0.015 0.000 1.081 178 S HN 0.475 nan 8.310 nan 0.000 0.476 179 M N 2.940 122.553 119.600 0.022 0.000 2.191 179 M HA 0.507 4.981 4.480 -0.009 0.000 0.262 179 M C 0.509 176.821 176.300 0.020 0.000 1.083 179 M CA 1.527 56.838 55.300 0.017 0.000 1.154 179 M CB -1.415 31.193 32.600 0.014 0.000 1.344 179 M HN 1.340 nan 8.290 nan 0.000 0.431 180 A N 1.465 124.298 122.820 0.022 0.000 1.164 180 A HA 0.422 4.737 4.320 -0.009 0.000 0.201 180 A C -0.742 176.864 177.584 0.037 0.000 1.406 180 A CA -0.701 51.359 52.037 0.038 0.000 1.320 180 A CB -0.485 18.534 19.000 0.033 0.000 0.447 180 A HN 0.517 nan 8.150 nan 0.000 0.624 181 R N 0.319 120.848 120.500 0.048 0.000 2.875 181 R HA 0.698 5.032 4.340 -0.009 0.000 0.251 181 R C 0.191 176.599 176.300 0.180 0.000 1.123 181 R CA -0.612 55.500 56.100 0.020 0.000 1.064 181 R CB 0.565 30.791 30.300 -0.122 0.000 1.205 181 R HN 0.916 nan 8.270 nan 0.000 0.503 182 W N 0.019 121.320 121.300 0.002 0.000 2.025 182 W HA -0.182 4.473 4.660 -0.009 0.000 0.270 182 W C -0.883 175.633 176.519 -0.004 0.000 1.076 182 W CA 0.401 57.746 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 -1.139 118.570 119.600 0.182 0.000 2.622 183 M HA 0.341 4.816 4.480 -0.009 0.000 0.276 183 M C -1.506 174.824 176.300 0.050 0.000 1.265 183 M CA -1.531 53.828 55.300 0.098 0.000 0.850 183 M CB 1.476 34.119 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 -1.301 175.994 177.300 -0.008 0.000 1.273 184 P CA -0.123 62.979 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 -1.709 118.481 120.200 -0.017 0.000 2.412 185 E HA 0.411 4.756 4.350 -0.009 0.000 0.279 185 E C -1.620 174.961 176.600 -0.032 0.000 0.984 185 E CA -0.653 55.732 56.400 -0.024 0.000 0.788 185 E CB 1.578 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 2.002 116.534 114.554 -0.037 0.000 2.150 186 T HA -0.102 4.242 4.350 -0.009 0.000 0.570 186 T C 0.421 175.085 174.700 -0.060 0.000 0.880 186 T CA 0.801 62.876 62.100 -0.043 0.000 3.027 186 T CB -0.394 68.452 68.868 -0.036 0.000 1.841 186 T HN 0.695 nan 8.240 nan 0.000 0.500 187 R N 4.399 124.858 120.500 -0.068 0.000 2.062 187 R HA 0.002 4.337 4.340 -0.009 0.000 0.229 187 R C -1.038 175.194 176.300 -0.113 0.000 1.128 187 R CA 2.115 58.157 56.100 -0.097 0.000 0.960 187 R CB -1.111 29.134 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 0.474 177.725 177.300 -0.082 0.000 1.146 188 P CA 1.113 64.162 63.100 -0.086 0.000 0.813 188 P CB 0.126 31.792 31.700 -0.057 0.000 0.778 189 V N -1.389 118.483 119.914 -0.071 0.000 2.940 189 V HA 0.188 4.303 4.120 -0.009 0.000 0.366 189 V C 0.800 176.856 176.094 -0.063 0.000 1.353 189 V CA 0.310 62.575 62.300 -0.059 0.000 1.232 189 V CB 0.276 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 1.159 121.507 120.400 -0.086 0.000 2.504 190 D HA 0.250 4.884 4.640 -0.009 0.000 0.276 190 D C 1.401 177.644 176.300 -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 41.326 40.800 -0.082 0.000 1.350 190 D HN 0.331 nan 8.370 nan 0.000 0.496 191 A N 2.956 125.674 122.820 -0.169 0.000 2.572 191 A HA 0.224 4.539 4.320 -0.009 0.000 0.256 191 A C -1.963 175.576 177.584 -0.074 0.000 1.041 191 A CA -0.194 51.711 52.037 -0.220 0.000 0.790 191 A CB -0.501 18.230 19.000 -0.450 0.000 0.947 191 A HN 0.215 nan 8.150 nan 0.000 0.518 192 P HA 0.705 nan 4.420 nan 0.000 0.285 192 P C -0.827 176.517 177.300 0.074 0.000 1.269 192 P CA -0.708 62.415 63.100 0.039 0.000 0.844 192 P CB 1.338 33.062 31.700 0.040 0.000 1.094 193 R N 0.031 120.557 120.500 0.042 0.000 2.937 193 R HA 0.500 4.834 4.340 -0.009 0.000 0.273 193 R C -0.841 175.475 176.300 0.026 0.000 1.176 193 R CA -0.234 55.893 56.100 0.045 0.000 1.132 193 R CB 1.420 31.759 30.300 0.064 0.000 1.270 193 R HN 0.564 nan 8.270 nan 0.000 0.425 194 T N 0.603 115.167 114.554 0.017 0.000 2.630 194 T HA 0.642 4.987 4.350 -0.009 0.000 0.300 194 T C -1.298 173.424 174.700 0.037 0.000 1.261 194 T CA -1.091 61.022 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 0.573 4.907 4.340 -0.009 0.000 0.271 195 R C -0.731 175.627 176.300 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 2.636 123.939 121.223 0.132 0.000 2.700 196 L HA 0.028 4.362 4.340 -0.009 0.000 0.240 196 L C 1.662 178.612 176.870 0.133 0.000 1.162 196 L CA 0.432 55.355 54.840 0.138 0.000 0.874 196 L CB -1.117 41.032 42.059 0.150 0.000 1.001 196 L HN 0.587 nan 8.230 nan 0.000 0.447 197 L N -2.666 118.619 121.223 0.104 0.000 2.042 197 L HA -0.144 4.191 4.340 -0.009 0.000 0.210 197 L C 2.176 179.097 176.870 0.085 0.000 1.076 197 L CA 2.033 56.924 54.840 0.086 0.000 0.749 197 L CB -1.579 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 -1.129 113.472 114.554 0.078 0.000 2.978 198 T HA 0.050 4.395 4.350 -0.009 0.000 0.262 198 T C 1.311 176.076 174.700 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 1.843 117.614 115.700 0.117 0.000 3.811 199 S HA 0.203 4.668 4.470 -0.009 0.000 0.205 199 S C 0.372 175.074 174.600 0.170 0.000 1.445 199 S CA -0.510 57.767 58.200 0.129 0.000 1.097 199 S CB -0.562 62.709 63.200 0.118 0.000 1.350 199 S HN 0.393 nan 8.310 nan 0.000 0.471 200 Y N 2.814 123.144 120.300 0.051 0.000 2.337 200 Y HA 0.007 4.551 4.550 -0.009 0.000 0.247 200 Y C 2.063 178.001 175.900 0.063 0.000 1.036 200 Y CA 1.329 59.459 58.100 0.050 0.000 1.041 200 Y CB -0.282 38.198 38.460 0.033 0.000 1.021 200 Y HN 0.148 nan 8.280 nan 0.000 0.473 201 K N -0.166 120.177 120.400 -0.094 0.000 2.519 201 K HA -0.097 4.217 4.320 -0.009 0.000 0.196 201 K C 1.495 178.103 176.600 0.014 0.000 1.041 201 K CA 1.260 57.457 56.287 -0.150 0.000 0.954 201 K CB -0.254 32.218 32.500 -0.047 0.000 0.774 201 K HN 0.540 nan 8.250 nan 0.000 0.480 202 T N 1.355 115.945 114.554 0.059 0.000 2.946 202 T HA -0.139 4.206 4.350 -0.009 0.000 0.271 202 T C 1.578 176.343 174.700 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 68.875 68.868 0.092 0.000 0.867 202 T HN 0.086 nan 8.240 nan 0.000 0.513 203 L N 0.244 121.506 121.223 0.066 0.000 2.013 203 L HA -0.009 4.326 4.340 -0.009 0.000 0.212 203 L C 2.019 178.947 176.870 0.097 0.000 1.073 203 L CA 1.573 56.447 54.840 0.058 0.000 0.753 203 L CB -0.818 41.235 42.059 -0.010 0.000 0.890 203 L HN 0.177 nan 8.230 nan 0.000 0.432 204 F N -0.470 119.456 119.950 -0.040 0.000 2.046 204 F HA -0.171 4.350 4.527 -0.008 0.000 0.297 204 F C 2.208 178.013 175.800 0.008 0.000 1.123 204 F CA 1.884 59.868 58.000 -0.027 0.000 1.199 204 F CB -1.030 37.950 39.000 -0.034 0.000 0.972 204 F HN 0.122 nan 8.300 nan 0.000 0.474 205 G N -0.583 108.363 108.800 0.243 0.000 2.605 205 G HA2 -0.346 3.609 3.960 -0.009 0.000 0.215 205 G HA3 -0.346 3.609 3.960 -0.009 0.000 0.215 205 G C 1.254 176.289 174.900 0.225 0.000 1.279 205 G CA 0.808 46.030 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 4.562 4.740 -0.009 0.000 0.195 206 N C 1.986 177.647 175.510 0.253 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 -0.990 114.802 115.700 0.153 0.000 2.447 207 S HA 0.046 4.511 4.470 -0.009 0.000 0.233 207 S C 1.876 176.513 174.600 0.062 0.000 1.006 207 S CA 0.719 58.978 58.200 0.098 0.000 0.957 207 S CB -0.755 62.464 63.200 0.032 0.000 0.773 207 S HN 0.672 nan 8.310 nan 0.000 0.507 208 G N 1.096 109.908 108.800 0.019 0.000 2.453 208 G HA2 -0.157 3.798 3.960 -0.009 0.000 0.215 208 G HA3 -0.157 3.798 3.960 -0.009 0.000 0.215 208 G C 1.033 175.907 174.900 -0.044 0.000 1.201 208 G CA 0.577 45.606 45.100 -0.117 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 -0.021 4.501 4.527 -0.009 0.000 0.300 209 F C 2.512 178.534 175.800 0.370 0.000 1.086 209 F CA 0.946 59.142 58.000 0.327 0.000 1.375 209 F CB -0.245 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 0.301 119.260 118.700 0.432 0.000 2.013 210 N HA -0.250 4.485 4.740 -0.009 0.000 0.195 210 N C 2.285 177.941 175.510 0.243 0.000 1.051 210 N CA 1.939 55.189 53.050 0.333 0.000 0.851 210 N CB -1.000 37.608 38.487 0.202 0.000 1.044 210 N HN 0.355 nan 8.380 nan 0.000 0.422 211 C N 0.818 120.210 119.300 0.154 0.000 2.403 211 C HA -0.169 4.285 4.460 -0.009 0.000 0.277 211 C C 2.504 177.614 174.990 0.200 0.000 1.248 211 C CA 0.776 59.859 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 1.088 121.443 120.300 0.092 0.000 1.993 212 Y HA -0.150 4.395 4.550 -0.009 0.000 0.237 212 Y C 2.233 178.223 175.900 0.149 0.000 1.071 212 Y CA 1.894 60.058 58.100 0.107 0.000 1.046 212 Y CB -1.257 37.299 38.460 0.159 0.000 0.949 212 Y HN 0.171 nan 8.280 nan 0.000 0.497 213 L N 0.514 121.757 121.223 0.033 0.000 2.201 213 L HA -0.173 4.162 4.340 -0.009 0.000 0.212 213 L C 2.580 179.524 176.870 0.124 0.000 1.105 213 L CA 1.099 55.913 54.840 -0.044 0.000 0.775 213 L CB -1.419 40.681 42.059 0.069 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 4.062 4.340 -0.009 0.000 0.218 214 L C 2.552 179.479 176.870 0.095 0.000 1.075 214 L CA 2.011 56.927 54.840 0.127 0.000 0.767 214 L CB -0.636 41.469 42.059 0.077 0.000 0.890 214 L HN 0.221 nan 8.230 nan 0.000 0.434 215 M N -0.543 119.112 119.600 0.092 0.000 2.108 215 M HA -0.222 4.253 4.480 -0.009 0.000 0.261 215 M C 2.246 178.597 176.300 0.086 0.000 1.066 215 M CA 1.169 56.515 55.300 0.076 0.000 1.107 215 M CB -1.333 31.311 32.600 0.073 0.000 1.356 215 M HN 0.360 nan 8.290 nan 0.000 0.406 216 L N 1.403 122.694 121.223 0.113 0.000 1.965 216 L HA -0.248 4.087 4.340 -0.009 0.000 0.226 216 L C 2.412 179.326 176.870 0.072 0.000 1.083 216 L CA 2.639 57.541 54.840 0.104 0.000 0.790 216 L CB -1.057 41.062 42.059 0.101 0.000 0.898 216 L HN 0.407 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 4.213 4.170 -0.009 0.000 0.259 217 I C 2.312 178.472 176.117 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 36.846 38.000 0.086 0.000 1.096 217 I HN 0.186 nan 8.210 nan 0.000 0.443 218 G N 1.338 110.182 108.800 0.073 0.000 2.484 218 G HA2 -0.118 3.836 3.960 -0.009 0.000 0.215 218 G HA3 -0.118 3.836 3.960 -0.009 0.000 0.215 218 G C 1.662 176.597 174.900 0.058 0.000 1.219 218 G CA 0.704 45.843 45.100 0.066 0.000 0.791 218 G HN 0.535 nan 8.290 nan 0.000 0.550 219 G N 0.381 109.213 108.800 0.053 0.000 2.432 219 G HA2 -0.114 3.841 3.960 -0.009 0.000 0.219 219 G HA3 -0.114 3.841 3.960 -0.009 0.000 0.219 219 G C 1.715 176.643 174.900 0.046 0.000 1.135 219 G CA 0.799 45.928 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 0.172 4.506 4.340 -0.009 0.000 0.215 220 L C 3.023 179.915 176.870 0.036 0.000 1.117 220 L CA 1.411 56.270 54.840 0.031 0.000 0.782 220 L CB -0.415 41.659 42.059 0.026 0.000 0.914 220 L HN 0.257 nan 8.230 nan 0.000 0.441 221 A N -0.993 121.858 122.820 0.051 0.000 1.898 221 A HA -0.026 4.289 4.320 -0.009 0.000 0.216 221 A C 2.361 179.982 177.584 0.062 0.000 1.181 221 A CA 1.372 53.443 52.037 0.056 0.000 0.620 221 A CB -1.264 17.776 19.000 0.067 0.000 0.819 221 A HN 0.435 nan 8.150 nan 0.000 0.442 222 G N 0.021 108.867 108.800 0.075 0.000 2.402 222 G HA2 -0.157 3.798 3.960 -0.009 0.000 0.216 222 G HA3 -0.157 3.798 3.960 -0.009 0.000 0.216 222 G C 1.511 176.514 174.900 0.173 0.000 1.162 222 G CA 1.075 46.242 45.100 0.112 0.000 0.777 222 G HN 0.463 nan 8.290 nan 0.000 0.539 223 I N 1.391 122.032 120.570 0.119 0.000 2.286 223 I HA -0.160 4.005 4.170 -0.009 0.000 0.248 223 I C 3.281 179.466 176.117 0.113 0.000 1.115 223 I CA 0.813 62.176 61.300 0.106 0.000 1.392 223 I CB -0.227 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 0.058 0.000 1.908 224 A HA -0.223 4.092 4.320 -0.009 0.000 0.218 224 A C 2.599 180.205 177.584 0.038 0.000 1.181 224 A CA 2.000 54.047 52.037 0.018 0.000 0.627 224 A CB -0.854 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 -1.051 121.804 122.820 0.059 0.000 1.873 225 A HA -0.096 4.219 4.320 -0.009 0.000 0.218 225 A C 1.996 179.585 177.584 0.009 0.000 1.193 225 A CA 1.744 53.792 52.037 0.018 0.000 0.629 225 A CB -0.817 18.187 19.000 0.007 0.000 0.826 225 A HN 0.478 nan 8.150 nan 0.000 0.447 226 F N 0.597 120.533 119.950 -0.024 0.000 1.997 226 F HA -0.228 4.297 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 2.272 60.260 58.000 -0.020 0.000 1.176 226 F CB -0.622 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 0.455 120.780 120.200 0.208 0.000 2.086 227 E HA -0.310 4.035 4.350 -0.009 0.000 0.205 227 E C 2.076 178.663 176.600 -0.021 0.000 1.027 227 E CA 1.608 58.054 56.400 0.077 0.000 0.830 227 E CB -0.922 28.790 29.700 0.020 0.000 0.751 227 E HN 0.366 nan 8.360 nan 0.000 0.456 228 A N 0.689 123.484 122.820 -0.041 0.000 2.167 228 A HA -0.016 4.299 4.320 -0.009 0.000 0.214 228 A C 2.305 179.825 177.584 -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 -0.067 119.185 119.300 -0.079 0.000 2.489 229 C HA 0.085 4.540 4.460 -0.009 0.000 0.279 229 C C 1.584 176.511 174.990 -0.106 0.000 1.266 229 C CA 0.814 59.773 59.018 -0.098 0.000 1.707 229 C CB -1.233 26.430 27.740 -0.128 0.000 2.059 229 C HN 0.438 nan 8.230 nan 0.000 0.481 230 S N 0.882 116.533 115.700 -0.082 0.000 2.563 230 S HA 0.473 4.938 4.470 -0.009 0.000 0.294 230 S C 0.243 174.736 174.600 -0.178 0.000 1.279 230 S CA 0.760 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 0.484 109.207 108.800 -0.129 0.000 2.343 231 G HA2 0.282 4.236 3.960 -0.009 0.000 0.289 231 G HA3 0.282 4.236 3.960 -0.009 0.000 0.289 231 G C -1.565 173.277 174.900 -0.098 0.000 1.295 231 G CA -0.290 44.706 45.100 -0.173 0.000 0.869 231 G HN 0.971 nan 8.290 nan 0.000 0.522 232 V N 2.476 122.331 119.914 -0.098 0.000 2.315 232 V HA 0.386 4.501 4.120 -0.009 0.000 0.265 232 V C 1.622 177.673 176.094 -0.071 0.000 1.019 232 V CA -0.004 62.260 62.300 -0.059 0.000 0.824 232 V CB -0.229 31.572 31.823 -0.036 0.000 1.072 232 V HN 0.870 nan 8.190 nan 0.000 0.448 233 L N 3.335 124.515 121.223 -0.073 0.000 2.251 233 L HA -0.350 3.985 4.340 -0.009 0.000 0.226 233 L C 2.195 179.027 176.870 -0.064 0.000 1.103 233 L CA 2.401 57.196 54.840 -0.074 0.000 0.827 233 L CB -0.647 41.371 42.059 -0.070 0.000 0.907 233 L HN 0.554 nan 8.230 nan 0.000 0.449 234 M N -1.034 118.538 119.600 -0.046 0.000 2.225 234 M HA 0.158 4.633 4.480 -0.009 0.000 0.233 234 M C 1.256 177.526 176.300 -0.049 0.000 1.280 234 M CA 1.216 56.495 55.300 -0.035 0.000 1.063 234 M CB -0.582 32.007 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 3.763 3.960 -0.009 0.000 0.608 235 G HA3 -0.192 3.763 3.960 -0.009 0.000 0.608 235 G C 0.492 175.363 174.900 -0.048 0.000 1.636 235 G CA 0.085 45.162 45.100 -0.038 0.000 1.181 235 G HN 0.817 nan 8.290 nan 0.000 0.585 236 A N 0.561 123.362 122.820 -0.031 0.000 1.933 236 A HA 0.112 4.427 4.320 -0.009 0.000 0.218 236 A C 2.736 180.277 177.584 -0.071 0.000 1.175 236 A CA 2.754 54.775 52.037 -0.028 0.000 0.628 236 A CB -0.376 18.630 19.000 0.009 0.000 0.814 236 A HN 1.495 nan 8.150 nan 0.000 0.444 237 V N 0.036 119.886 119.914 -0.105 0.000 2.332 237 V HA -0.229 3.886 4.120 -0.009 0.000 0.248 237 V C 2.498 178.408 176.094 -0.307 0.000 1.055 237 V CA 1.652 63.812 62.300 -0.234 0.000 1.038 237 V CB -0.652 31.003 31.823 -0.280 0.000 0.651 237 V HN 0.502 nan 8.190 nan 0.000 0.450 238 L N 0.509 121.593 121.223 -0.231 0.000 2.072 238 L HA -0.010 4.324 4.340 -0.009 0.000 0.205 238 L C 2.622 179.387 176.870 -0.175 0.000 1.079 238 L CA 2.268 56.975 54.840 -0.222 0.000 0.752 238 L CB -1.882 40.080 42.059 -0.162 0.000 0.906 238 L HN 0.450 nan 8.230 nan 0.000 0.436 239 G N -0.462 108.264 108.800 -0.123 0.000 2.422 239 G HA2 -0.234 3.720 3.960 -0.009 0.000 0.218 239 G HA3 -0.234 3.720 3.960 -0.009 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 1.034 122.174 121.223 -0.138 0.000 2.599 240 L HA 0.244 4.578 4.340 -0.009 0.000 0.230 240 L C 2.655 179.384 176.870 -0.234 0.000 1.141 240 L CA 0.889 55.640 54.840 -0.147 0.000 0.877 240 L CB 0.145 42.147 42.059 -0.095 0.000 1.009 240 L HN 0.274 nan 8.230 nan 0.000 0.447 241 S N -1.530 113.999 115.700 -0.286 0.000 2.377 241 S HA -0.157 4.308 4.470 -0.009 0.000 0.223 241 S C 2.356 176.777 174.600 -0.299 0.000 1.030 241 S CA 1.461 59.448 58.200 -0.354 0.000 0.970 241 S CB -0.041 62.949 63.200 -0.350 0.000 0.830 241 S HN 0.467 nan 8.310 nan 0.000 0.473 242 S N 1.319 116.871 115.700 -0.248 0.000 2.356 242 S HA -0.135 4.329 4.470 -0.009 0.000 0.223 242 S C 2.090 176.517 174.600 -0.288 0.000 1.032 242 S CA 1.719 59.767 58.200 -0.252 0.000 1.005 242 S CB -0.615 62.474 63.200 -0.186 0.000 0.867 242 S HN 0.644 nan 8.310 nan 0.000 0.449 243 M N 1.383 120.850 119.600 -0.222 0.000 2.066 243 M HA -0.104 4.370 4.480 -0.009 0.000 0.259 243 M C 2.062 178.217 176.300 -0.241 0.000 1.074 243 M CA 2.586 57.768 55.300 -0.197 0.000 1.114 243 M CB -2.032 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 1.139 115.569 114.554 -0.205 0.000 2.635 244 T HA -0.179 4.166 4.350 -0.009 0.000 0.267 244 T C 1.913 176.433 174.700 -0.300 0.000 1.040 244 T CA 2.120 64.120 62.100 -0.167 0.000 1.156 244 T CB -0.954 67.853 68.868 -0.100 0.000 0.863 244 T HN 0.369 nan 8.240 nan 0.000 0.430 245 V N 1.144 120.800 119.914 -0.431 0.000 2.324 245 V HA -0.221 3.894 4.120 -0.009 0.000 0.250 245 V C 2.503 177.773 176.094 -1.373 0.000 1.060 245 V CA 2.455 64.339 62.300 -0.693 0.000 1.042 245 V CB -0.657 30.792 31.823 -0.624 0.000 0.650 245 V HN 0.503 nan 8.190 nan 0.000 0.450 246 S N -0.302 114.685 115.700 -1.187 0.000 2.387 246 S HA -0.029 4.436 4.470 -0.009 0.000 0.226 246 S C 1.745 176.008 174.600 -0.561 0.000 1.026 246 S CA 1.616 59.150 58.200 -1.110 0.000 0.972 246 S CB -0.305 62.546 63.200 -0.582 0.000 0.814 246 S HN 0.609 nan 8.310 nan 0.000 0.477 247 I N 1.513 121.860 120.570 -0.372 0.000 2.163 247 I HA -0.172 3.993 4.170 -0.009 0.000 0.243 247 I C 1.753 177.773 176.117 -0.161 0.000 1.085 247 I CA 0.969 62.153 61.300 -0.193 0.000 1.347 247 I CB -0.319 37.613 38.000 -0.113 0.000 1.044 247 I HN 0.259 nan 8.210 nan 0.000 0.408 248 L N -0.252 120.857 121.223 -0.189 0.000 2.376 248 L HA -0.085 4.249 4.340 -0.009 0.000 0.219 248 L C 2.345 179.192 176.870 -0.038 0.000 1.133 248 L CA 1.589 56.386 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 -0.543 119.097 119.950 -0.516 0.000 2.134 249 F HA -0.286 4.235 4.527 -0.010 0.000 0.299 249 F C 2.509 177.931 175.800 -0.630 0.000 1.097 249 F CA 0.275 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 0.064 nan 8.300 nan 0.000 0.479 250 I N 0.164 120.655 120.570 -0.131 0.000 2.142 250 I HA -0.281 3.884 4.170 -0.009 0.000 0.240 250 I C 2.200 178.342 176.117 0.042 0.000 1.078 250 I CA 1.141 62.423 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 -0.009 nan 8.210 nan 0.000 0.405 251 L N 1.257 122.502 121.223 0.036 0.000 1.955 251 L HA -0.122 4.213 4.340 -0.009 0.000 0.213 251 L C -0.536 176.409 176.870 0.125 0.000 1.072 251 L CA 2.350 57.228 54.840 0.064 0.000 0.755 251 L CB -2.011 40.076 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 1.778 179.260 177.300 0.304 0.000 1.144 252 P CA 1.169 64.421 63.100 0.253 0.000 0.800 252 P CB -0.082 31.818 31.700 0.334 0.000 0.772 253 I N 0.973 121.766 120.570 0.371 0.000 2.163 253 I HA -0.098 4.067 4.170 -0.009 0.000 0.240 253 I C -1.029 175.218 176.117 0.217 0.000 1.081 253 I CA 1.712 63.217 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 1.846 65.018 63.100 0.120 0.000 0.800 254 P CB -0.202 31.519 31.700 0.034 0.000 0.787 255 A N 0.751 123.658 122.820 0.144 0.000 2.019 255 A HA -0.008 4.307 4.320 -0.009 0.000 0.219 255 A C 2.418 180.091 177.584 0.149 0.000 1.164 255 A CA 1.796 53.908 52.037 0.124 0.000 0.644 255 A CB -1.356 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 -1.622 121.295 122.820 0.161 0.000 2.067 256 A HA 0.152 4.467 4.320 -0.009 0.000 0.217 256 A C 1.820 179.445 177.584 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 4.390 4.527 -0.009 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 0.246 119.907 119.950 -0.480 0.000 2.365 258 F HA -0.027 4.495 4.527 -0.009 0.000 0.300 258 F C 2.526 178.210 175.800 -0.193 0.000 1.090 258 F CA 0.849 58.524 58.000 -0.542 0.000 1.408 258 F CB -0.967 37.995 39.000 -0.063 0.000 1.060 258 F HN 0.115 nan 8.300 nan 0.000 0.534 259 G N -0.424 108.411 108.800 0.058 0.000 2.443 259 G HA2 -0.133 3.822 3.960 -0.009 0.000 0.219 259 G HA3 -0.133 3.822 3.960 -0.009 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 0.153 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 0.020 4.335 4.320 -0.009 0.000 0.215 260 A C 2.135 179.817 177.584 0.164 0.000 1.186 260 A CA 1.404 53.449 52.037 0.014 0.000 0.616 260 A CB -0.601 18.318 19.000 -0.134 0.000 0.823 260 A HN 0.433 nan 8.150 nan 0.000 0.442 261 W N -1.229 120.087 121.300 0.026 0.000 2.392 261 W HA -0.061 4.595 4.660 -0.008 0.000 0.279 261 W C 1.920 178.486 176.519 0.079 0.000 1.225 261 W CA 0.248 57.596 57.345 0.006 0.000 1.233 261 W CB -1.437 27.993 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 0.196 0.000 2.367 262 F HA 0.113 4.635 4.527 -0.009 0.000 0.298 262 F C 2.292 178.136 175.800 0.073 0.000 1.094 262 F CA 1.474 59.561 58.000 0.144 0.000 1.409 262 F CB -0.445 38.647 39.000 0.154 0.000 1.064 262 F HN -0.162 nan 8.300 nan 0.000 0.528 263 A N 0.571 123.487 122.820 0.160 0.000 1.948 263 A HA -0.128 4.186 4.320 -0.009 0.000 0.220 263 A C 2.457 179.912 177.584 -0.215 0.000 1.177 263 A CA 1.921 53.932 52.037 -0.043 0.000 0.636 263 A CB -1.768 17.200 19.000 -0.052 0.000 0.815 263 A HN 0.501 nan 8.150 nan 0.000 0.449 264 G N -0.632 108.100 108.800 -0.114 0.000 2.575 264 G HA2 -0.142 3.812 3.960 -0.009 0.000 0.215 264 G HA3 -0.142 3.812 3.960 -0.009 0.000 0.215 264 G C 0.901 175.650 174.900 -0.251 0.000 1.262 264 G CA 0.232 45.254 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 4.254 4.340 -0.009 0.000 0.283 265 R C -1.761 174.137 176.300 -0.670 0.000 0.805 265 R CA 0.081 55.856 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 -0.351 nan 4.420 nan 0.000 0.015 266 P C -0.953 176.177 177.300 -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 -1.507 117.009 118.700 -0.307 0.000 3.321 267 N HA -0.209 4.526 4.740 -0.009 0.000 0.291 267 N C 1.153 176.508 175.510 -0.258 0.000 1.861 267 N CA 0.257 53.138 53.050 -0.281 0.000 2.117 267 N CB 0.122 38.426 38.487 -0.304 0.000 0.766 267 N HN 0.154 nan 8.380 nan 0.000 0.602 268 K N 2.697 122.986 120.400 -0.184 0.000 2.455 268 K HA -0.247 4.068 4.320 -0.009 0.000 0.200 268 K C 1.473 178.192 176.600 0.199 0.000 1.045 268 K CA 1.466 57.836 56.287 0.139 0.000 0.932 268 K CB -0.025 32.637 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 4.159 4.340 -0.009 0.000 0.239 269 R C 2.197 178.507 176.300 0.018 0.000 1.135 269 R CA 1.612 57.623 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 4.258 4.527 -0.008 0.000 0.300 270 F C 2.421 178.295 175.800 0.122 0.000 1.095 270 F CA 1.793 59.795 58.000 0.004 0.000 1.249 270 F CB -0.718 38.270 39.000 -0.019 0.000 0.995 270 F HN -0.113 nan 8.300 nan 0.000 0.480 271 S N -0.303 115.428 115.700 0.051 0.000 2.344 271 S HA -0.226 4.238 4.470 -0.009 0.000 0.217 271 S C 2.275 176.833 174.600 -0.071 0.000 1.033 271 S CA 2.707 60.832 58.200 -0.124 0.000 1.017 271 S CB -1.072 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 1.856 116.491 114.554 0.134 0.000 2.665 272 T HA -0.189 4.155 4.350 -0.009 0.000 0.268 272 T C 1.871 176.635 174.700 0.106 0.000 1.035 272 T CA 1.615 63.826 62.100 0.185 0.000 1.151 272 T CB -1.166 67.849 68.868 0.244 0.000 0.862 272 T HN 0.455 nan 8.240 nan 0.000 0.438 273 L N 0.327 121.561 121.223 0.019 0.000 1.941 273 L HA -0.160 4.174 4.340 -0.009 0.000 0.224 273 L C 2.799 179.650 176.870 -0.032 0.000 1.081 273 L CA 2.624 57.458 54.840 -0.009 0.000 0.784 273 L CB -0.471 41.575 42.059 -0.023 0.000 0.894 273 L HN 0.268 nan 8.230 nan 0.000 0.436 274 M N -0.913 118.580 119.600 -0.178 0.000 2.108 274 M HA -0.285 4.189 4.480 -0.009 0.000 0.261 274 M C 2.103 178.383 176.300 -0.034 0.000 1.066 274 M CA 2.132 57.311 55.300 -0.202 0.000 1.107 274 M CB -1.162 31.141 32.600 -0.494 0.000 1.356 274 M HN 0.485 nan 8.290 nan 0.000 0.406 275 W N 0.888 122.141 121.300 -0.079 0.000 2.329 275 W HA -0.295 4.361 4.660 -0.008 0.000 0.324 275 W C 2.518 179.027 176.519 -0.016 0.000 1.222 275 W CA 1.177 58.519 57.345 -0.005 0.000 1.270 275 W CB -0.484 28.966 29.460 -0.016 0.000 1.167 275 W HN 0.320 nan 8.180 nan 0.000 0.467 276 Q N -0.132 119.808 119.800 0.234 0.000 2.135 276 Q HA -0.203 4.132 4.340 -0.009 0.000 0.204 276 Q C 2.105 178.153 176.000 0.080 0.000 0.981 276 Q CA 2.213 58.065 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 0.148 nan 8.270 nan 0.000 0.425 277 S N -0.044 115.718 115.700 0.103 0.000 2.356 277 S HA -0.128 4.337 4.470 -0.009 0.000 0.223 277 S C 2.060 176.737 174.600 0.128 0.000 1.032 277 S CA 1.289 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 3.983 4.120 -0.009 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 -0.711 31.453 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 3.885 4.170 -0.009 0.000 0.243 279 I C 2.602 178.765 176.117 0.077 0.000 1.085 279 I CA 1.775 63.101 61.300 0.044 0.000 1.347 279 I CB -1.352 36.534 38.000 -0.189 0.000 1.044 279 I HN 0.388 nan 8.210 nan 0.000 0.408 280 C N 0.903 120.229 119.300 0.044 0.000 2.425 280 C HA -0.183 4.271 4.460 -0.009 0.000 0.277 280 C C 3.228 178.251 174.990 0.054 0.000 1.280 280 C CA 0.756 59.781 59.018 0.012 0.000 1.744 280 C CB -1.364 26.370 27.740 -0.010 0.000 1.989 280 C HN 0.782 nan 8.230 nan 0.000 0.491 281 C N 0.397 119.755 119.300 0.096 0.000 2.413 281 C HA -0.090 4.364 4.460 -0.009 0.000 0.276 281 C C 2.484 177.532 174.990 0.098 0.000 1.236 281 C CA 0.894 59.967 59.018 0.091 0.000 1.735 281 C CB -1.701 26.104 27.740 0.107 0.000 2.031 281 C HN 0.513 nan 8.230 nan 0.000 0.474 282 L N 1.136 122.451 121.223 0.154 0.000 2.201 282 L HA 0.007 4.341 4.340 -0.009 0.000 0.212 282 L C 2.734 179.670 176.870 0.110 0.000 1.105 282 L CA 1.407 56.335 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 0.531 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 4.184 4.340 -0.009 0.000 0.212 283 L C 1.340 178.242 176.870 0.053 0.000 1.087 283 L CA 2.072 56.946 54.840 0.058 0.000 0.757 283 L CB -0.504 41.554 42.059 -0.002 0.000 0.896 283 L HN 0.275 nan 8.230 nan 0.000 0.434 284 A N -1.447 121.401 122.820 0.046 0.000 2.812 284 A HA 0.550 4.864 4.320 -0.009 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 -0.151 18.867 19.000 0.030 0.000 1.162 284 A HN 0.436 nan 8.150 nan 0.000 0.511 285 G N -0.151 108.673 108.800 0.040 0.000 2.600 285 G HA2 0.422 4.377 3.960 -0.009 0.000 0.225 285 G HA3 0.422 4.377 3.960 -0.009 0.000 0.225 285 G C 0.613 175.521 174.900 0.013 0.000 1.623 285 G CA 0.124 45.242 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 4.788 4.340 -0.009 0.000 0.253 286 L C -0.440 176.424 176.870 -0.010 0.000 1.293 286 L CA -1.058 53.776 54.840 -0.011 0.000 1.280 286 L CB 1.035 43.075 42.059 -0.031 0.000 1.993 286 L HN 0.028 nan 8.230 nan 0.000 0.577 287 L N 1.577 122.787 121.223 -0.021 0.000 2.418 287 L HA 0.033 4.368 4.340 -0.009 0.000 0.274 287 L C 1.134 177.997 176.870 -0.011 0.000 1.135 287 L CA 0.776 55.610 54.840 -0.010 0.000 0.870 287 L CB -0.194 41.856 42.059 -0.016 0.000 1.154 287 L HN 0.751 nan 8.230 nan 0.000 0.462 288 M N 2.299 121.898 119.600 -0.001 0.000 2.926 288 M HA -0.459 4.016 4.480 -0.009 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 -0.570 32.043 32.600 0.021 0.000 1.765 288 M HN 0.637 nan 8.290 nan 0.000 0.495 289 W N 0.499 121.305 121.300 -0.823 0.000 2.199 289 W HA -0.339 4.317 4.660 -0.006 0.000 0.330 289 W C 2.329 178.213 176.519 -1.058 0.000 1.299 289 W CA 3.207 59.650 57.345 -1.504 0.000 1.122 289 W CB -1.577 27.334 29.460 -0.914 0.000 1.067 289 W HN 0.669 nan 8.180 nan 0.000 0.498 290 I N -2.142 118.314 120.570 -0.190 0.000 2.147 290 I HA -0.302 3.863 4.170 -0.009 0.000 0.245 290 I C -0.581 175.583 176.117 0.079 0.000 1.059 290 I CA 1.381 62.658 61.300 -0.038 0.000 1.320 290 I CB -2.840 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 1.157 178.599 177.300 0.238 0.000 0.910 291 P CA 2.379 65.569 63.100 0.149 0.000 1.033 291 P CB -0.294 31.464 31.700 0.097 0.000 0.630 292 D N -1.954 118.615 120.400 0.282 0.000 2.264 292 D HA -0.168 4.467 4.640 -0.009 0.000 0.208 292 D C 1.591 178.090 176.300 0.331 0.000 0.966 292 D CA 1.057 55.221 54.000 0.273 0.000 0.864 292 D CB -0.884 40.072 40.800 0.260 0.000 0.933 292 D HN 0.221 nan 8.370 nan 0.000 0.499 293 W N 1.237 122.547 121.300 0.017 0.000 2.358 293 W HA 0.015 4.670 4.660 -0.008 0.000 0.303 293 W C 2.333 178.878 176.519 0.044 0.000 1.208 293 W CA -0.107 57.231 57.345 -0.011 0.000 1.274 293 W CB -1.560 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 1.148 121.199 119.950 0.169 0.000 2.234 294 F HA 0.026 4.548 4.527 -0.008 0.000 0.299 294 F C 2.221 178.007 175.800 -0.022 0.000 1.087 294 F CA 1.605 59.619 58.000 0.023 0.000 1.340 294 F CB -0.470 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 0.889 109.560 108.800 -0.214 0.000 2.491 295 G HA2 -0.303 3.651 3.960 -0.009 0.000 0.218 295 G HA3 -0.303 3.651 3.960 -0.009 0.000 0.218 295 G C 1.571 176.327 174.900 -0.239 0.000 1.180 295 G CA 1.709 46.614 45.100 -0.325 0.000 0.774 295 G HN 0.343 nan 8.290 nan 0.000 0.562 296 V N 1.533 121.390 119.914 -0.095 0.000 2.295 296 V HA -0.269 3.846 4.120 -0.009 0.000 0.246 296 V C 2.697 178.790 176.094 -0.001 0.000 1.049 296 V CA 2.211 64.487 62.300 -0.041 0.000 1.024 296 V CB -0.778 31.021 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 -0.342 4.132 4.480 -0.009 0.000 0.257 297 M C 2.277 178.566 176.300 -0.019 0.000 1.070 297 M CA 2.898 58.215 55.300 0.028 0.000 1.087 297 M CB -0.871 31.776 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 4.563 4.740 -0.009 0.000 0.191 298 N C 1.694 177.118 175.510 -0.144 0.000 1.031 298 N CA 2.095 54.912 53.050 -0.388 0.000 0.852 298 N CB -0.123 37.913 38.487 -0.751 0.000 1.018 298 N HN 0.330 nan 8.380 nan 0.000 0.423 299 V N 0.362 120.213 119.914 -0.106 0.000 2.250 299 V HA -0.267 3.848 4.120 -0.009 0.000 0.250 299 V C 1.978 178.093 176.094 0.035 0.000 1.060 299 V CA 2.336 64.619 62.300 -0.028 0.000 1.030 299 V CB -0.864 30.944 31.823 -0.026 0.000 0.643 299 V HN 0.541 nan 8.190 nan 0.000 0.445 300 W N 0.628 121.874 121.300 -0.091 0.000 2.363 300 W HA -0.214 4.440 4.660 -0.010 0.000 0.296 300 W C 2.523 178.977 176.519 -0.109 0.000 1.212 300 W CA 2.295 59.548 57.345 -0.153 0.000 1.260 300 W CB -0.459 28.878 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 0.236 0.000 2.555 301 T HA -0.324 4.020 4.350 -0.009 0.000 0.264 301 T C 1.840 176.528 174.700 -0.021 0.000 1.083 301 T CA 2.561 64.744 62.100 0.139 0.000 1.179 301 T CB -1.042 67.885 68.868 0.098 0.000 0.863 301 T HN 0.180 nan 8.240 nan 0.000 0.412 302 L N 0.310 121.541 121.223 0.012 0.000 2.010 302 L HA -0.184 4.151 4.340 -0.009 0.000 0.219 302 L C 2.591 179.421 176.870 -0.066 0.000 1.077 302 L CA 1.160 56.020 54.840 0.033 0.000 0.773 302 L CB -1.115 40.978 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 4.106 4.340 -0.009 0.000 0.216 303 L C 2.480 179.137 176.870 -0.355 0.000 1.074 303 L CA 1.645 56.317 54.840 -0.280 0.000 0.763 303 L CB -0.899 40.908 42.059 -0.420 0.000 0.890 303 L HN 0.002 nan 8.230 nan 0.000 0.434 304 V N 0.462 120.035 119.914 -0.567 0.000 2.216 304 V HA -0.190 3.924 4.120 -0.009 0.000 0.243 304 V C -0.252 175.726 176.094 -0.192 0.000 1.044 304 V CA 2.265 64.267 62.300 -0.497 0.000 0.995 304 V CB -1.918 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 -0.189 nan 4.420 nan 0.000 0.219 305 P C 1.531 178.926 177.300 0.157 0.000 1.146 305 P CA 2.220 65.352 63.100 0.054 0.000 0.808 305 P CB -0.102 31.671 31.700 0.120 0.000 0.779 306 A N 1.139 124.022 122.820 0.105 0.000 1.858 306 A HA -0.071 4.244 4.320 -0.009 0.000 0.216 306 A C 2.490 180.004 177.584 -0.118 0.000 1.190 306 A CA 2.295 54.392 52.037 0.100 0.000 0.617 306 A CB -1.624 17.341 19.000 -0.058 0.000 0.827 306 A HN 0.227 nan 8.150 nan 0.000 0.443 307 A N -1.278 121.506 122.820 -0.060 0.000 2.172 307 A HA 0.130 4.445 4.320 -0.009 0.000 0.216 307 A C 1.955 179.503 177.584 -0.061 0.000 1.154 307 A CA 1.471 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 -0.477 120.690 121.223 -0.093 0.000 2.013 308 L HA 0.029 4.364 4.340 -0.009 0.000 0.204 308 L C 2.294 179.168 176.870 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 -1.700 118.252 119.950 0.003 0.000 2.216 309 F HA -0.189 4.333 4.527 -0.009 0.000 0.300 309 F C 2.166 178.039 175.800 0.121 0.000 1.085 309 F CA 1.259 59.277 58.000 0.030 0.000 1.326 309 F CB -1.345 37.649 39.000 -0.009 0.000 1.027 309 F HN 0.068 nan 8.300 nan 0.000 0.497 310 F N -0.298 119.032 119.950 -1.033 0.000 2.102 310 F HA -0.163 4.358 4.527 -0.009 0.000 0.298 310 F C 2.505 178.147 175.800 -0.263 0.000 1.105 310 F CA 1.006 58.516 58.000 -0.816 0.000 1.239 310 F CB -0.460 38.079 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 4.269 4.527 -0.009 0.000 0.297 311 F C 2.383 178.168 175.800 -0.025 0.000 1.121 311 F CA 1.595 59.563 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 3.743 3.960 -0.009 0.000 0.215 312 G HA3 -0.212 3.743 3.960 -0.009 0.000 0.215 312 G C 1.614 176.537 174.900 0.039 0.000 1.258 312 G CA 0.733 45.823 45.100 -0.016 0.000 0.811 312 G HN 0.540 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 4.531 4.320 -0.009 0.000 0.219 313 A C 2.337 180.069 177.584 0.246 0.000 1.159 313 A CA 2.098 54.292 52.037 0.263 0.000 0.680 313 A CB -0.576 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 -1.282 107.570 108.800 0.087 0.000 2.641 314 G HA2 0.063 4.017 3.960 -0.009 0.000 0.211 314 G HA3 0.063 4.017 3.960 -0.009 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 4.655 4.480 -0.009 0.000 0.263 315 M C 2.129 178.365 176.300 -0.106 0.000 1.066 315 M CA 0.765 55.977 55.300 -0.148 0.000 1.087 315 M CB -0.133 32.317 32.600 -0.249 0.000 1.406 315 M HN 0.109 nan 8.290 nan 0.000 0.459 316 L N -1.320 119.851 121.223 -0.085 0.000 2.509 316 L HA 0.106 4.441 4.340 -0.009 0.000 0.222 316 L C 0.524 177.275 176.870 -0.197 0.000 1.123 316 L CA -0.103 54.639 54.840 -0.162 0.000 0.856 316 L CB 0.017 41.932 42.059 -0.238 0.000 0.985 316 L HN 0.083 nan 8.230 nan 0.000 0.456 317 F N 0.088 119.997 119.950 -0.068 0.000 2.291 317 F HA 0.220 4.742 4.527 -0.009 0.000 0.305 317 F C -1.061 174.709 175.800 -0.051 0.000 1.171 317 F CA -1.613 56.358 58.000 -0.049 0.000 1.090 317 F CB -0.377 38.599 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 0.226 318 P C 0.407 177.739 177.300 0.054 0.000 1.146 318 P CA 1.233 64.383 63.100 0.082 0.000 0.773 318 P CB 0.010 31.756 31.700 0.078 0.000 0.772 319 L N -1.499 119.774 121.223 0.084 0.000 2.912 319 L HA 0.182 4.517 4.340 -0.009 0.000 0.246 319 L C 1.527 178.386 176.870 -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 -0.553 122.258 122.820 -0.015 0.000 1.944 320 A HA 0.023 4.337 4.320 -0.009 0.000 0.207 320 A C 2.205 179.763 177.584 -0.043 0.000 1.265 320 A CA 0.775 52.791 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 0.354 114.890 114.554 -0.032 0.000 2.809 321 T HA -0.045 4.299 4.350 -0.009 0.000 0.260 321 T C 2.129 176.787 174.700 -0.069 0.000 1.039 321 T CA 1.728 63.810 62.100 -0.030 0.000 1.141 321 T CB -0.201 68.656 68.868 -0.018 0.000 0.869 321 T HN 0.396 nan 8.240 nan 0.000 0.437 322 S N 0.937 116.591 115.700 -0.077 0.000 2.453 322 S HA 0.052 4.517 4.470 -0.009 0.000 0.231 322 S C 2.303 176.779 174.600 -0.207 0.000 1.005 322 S CA 0.787 58.913 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 0.603 nan 8.310 nan 0.000 0.510 323 G N 1.600 110.287 108.800 -0.188 0.000 2.395 323 G HA2 0.087 4.041 3.960 -0.009 0.000 0.214 323 G HA3 0.087 4.041 3.960 -0.009 0.000 0.214 323 G C 1.589 176.234 174.900 -0.425 0.000 1.177 323 G CA 0.608 45.531 45.100 -0.295 0.000 0.794 323 G HN 0.532 nan 8.290 nan 0.000 0.532 324 A N 1.054 123.725 122.820 -0.248 0.000 1.892 324 A HA -0.151 4.164 4.320 -0.009 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 18.543 19.000 0.121 0.000 0.822 324 A HN 0.375 nan 8.150 nan 0.000 0.447 325 M N 0.543 119.980 119.600 -0.273 0.000 2.073 325 M HA -0.243 4.232 4.480 -0.009 0.000 0.258 325 M C 2.001 177.854 176.300 -0.746 0.000 1.070 325 M CA 2.741 57.777 55.300 -0.440 0.000 1.103 325 M CB -0.937 31.399 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 4.195 4.350 -0.009 0.000 0.197 326 E C -0.782 175.516 176.600 -0.502 0.000 1.002 326 E CA 0.983 57.010 56.400 -0.622 0.000 0.840 326 E CB -2.322 27.150 29.700 -0.380 0.000 0.786 326 E HN 0.368 nan 8.360 nan 0.000 0.469 327 P HA -0.171 nan 4.420 nan 0.000 0.215 327 P C 1.288 178.396 177.300 -0.320 0.000 1.157 327 P CA 1.461 64.106 63.100 -0.759 0.000 0.868 327 P CB -0.141 30.858 31.700 -1.168 0.000 0.788 328 F N 0.419 120.258 119.950 -0.186 0.000 1.999 328 F HA 0.039 4.560 4.527 -0.009 0.000 0.293 328 F C 0.008 175.747 175.800 -0.102 0.000 1.173 328 F CA 0.797 58.713 58.000 -0.140 0.000 1.162 328 F CB -2.950 35.949 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 0.186 0.000 1.157 329 P CA 1.496 64.615 63.100 0.031 0.000 0.868 329 P CB -0.154 31.512 31.700 -0.056 0.000 0.788 330 F N -1.182 118.758 119.950 -0.017 0.000 2.051 330 F HA -0.143 4.378 4.527 -0.009 0.000 0.296 330 F C 2.193 178.008 175.800 0.026 0.000 1.122 330 F CA 1.040 59.039 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 0.380 121.747 121.223 0.239 0.000 1.943 331 L HA -0.173 4.161 4.340 -0.009 0.000 0.215 331 L C 2.721 179.686 176.870 0.159 0.000 1.074 331 L CA 2.217 57.165 54.840 0.180 0.000 0.759 331 L CB -1.849 40.314 42.059 0.174 0.000 0.888 331 L HN 0.123 nan 8.230 nan 0.000 0.433 332 A N -0.350 122.568 122.820 0.162 0.000 1.958 332 A HA -0.221 4.093 4.320 -0.009 0.000 0.221 332 A C 2.411 180.055 177.584 0.100 0.000 1.178 332 A CA 2.072 54.190 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 -1.070 107.794 108.800 0.107 0.000 2.421 333 G HA2 -0.170 3.785 3.960 -0.009 0.000 0.216 333 G HA3 -0.170 3.785 3.960 -0.009 0.000 0.216 333 G C 1.588 176.532 174.900 0.073 0.000 1.171 333 G CA 1.700 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 4.320 4.350 -0.009 0.000 0.268 334 T C 2.771 177.509 174.700 0.064 0.000 1.037 334 T CA 1.569 63.705 62.100 0.060 0.000 1.144 334 T CB -0.441 68.466 68.868 0.064 0.000 0.864 334 T HN 0.385 nan 8.240 nan 0.000 0.444 335 A N 1.818 124.687 122.820 0.082 0.000 1.883 335 A HA 0.072 4.387 4.320 -0.009 0.000 0.217 335 A C 2.722 180.347 177.584 0.067 0.000 1.186 335 A CA 1.944 54.032 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 -0.574 108.262 108.800 0.061 0.000 2.440 336 G HA2 -0.053 3.902 3.960 -0.009 0.000 0.218 336 G HA3 -0.053 3.902 3.960 -0.009 0.000 0.218 336 G C 1.757 176.679 174.900 0.036 0.000 1.154 336 G CA 1.729 46.855 45.100 0.044 0.000 0.767 336 G HN 0.855 nan 8.290 nan 0.000 0.552 337 A N 0.679 123.521 122.820 0.037 0.000 1.851 337 A HA -0.002 4.312 4.320 -0.009 0.000 0.216 337 A C 2.380 179.983 177.584 0.031 0.000 1.195 337 A CA 1.538 53.593 52.037 0.030 0.000 0.622 337 A CB -0.610 18.406 19.000 0.027 0.000 0.831 337 A HN 0.306 nan 8.150 nan 0.000 0.444 338 L N 0.100 121.346 121.223 0.038 0.000 2.042 338 L HA -0.144 4.191 4.340 -0.009 0.000 0.210 338 L C 2.647 179.540 176.870 0.037 0.000 1.076 338 L CA 1.793 56.657 54.840 0.040 0.000 0.749 338 L CB -1.059 41.030 42.059 0.050 0.000 0.893 338 L HN 0.280 nan 8.230 nan 0.000 0.432 339 V N -0.091 119.846 119.914 0.037 0.000 2.332 339 V HA -0.240 3.874 4.120 -0.009 0.000 0.248 339 V C 2.687 178.793 176.094 0.020 0.000 1.055 339 V CA 1.793 64.111 62.300 0.030 0.000 1.038 339 V CB -1.366 30.477 31.823 0.034 0.000 0.651 339 V HN 0.574 nan 8.190 nan 0.000 0.450 340 G N 0.049 108.860 108.800 0.019 0.000 2.418 340 G HA2 -0.169 3.786 3.960 -0.009 0.000 0.217 340 G HA3 -0.169 3.786 3.960 -0.009 0.000 0.217 340 G C 1.657 176.564 174.900 0.013 0.000 1.158 340 G CA 0.945 46.054 45.100 0.013 0.000 0.771 340 G HN 0.594 nan 8.290 nan 0.000 0.545 341 G N 0.896 109.706 108.800 0.018 0.000 2.469 341 G HA2 -0.205 3.750 3.960 -0.009 0.000 0.220 341 G HA3 -0.205 3.750 3.960 -0.009 0.000 0.220 341 G C 1.816 176.724 174.900 0.014 0.000 1.136 341 G CA 0.853 45.964 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 4.150 4.340 -0.009 0.000 0.210 342 L C 3.015 179.881 176.870 -0.007 0.000 1.073 342 L CA 1.789 56.631 54.840 0.002 0.000 0.748 342 L CB -0.514 41.545 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 -0.316 4.018 4.340 -0.009 0.000 0.209 343 Q C 1.818 177.814 176.000 -0.008 0.000 1.002 343 Q CA 2.425 58.223 55.803 -0.008 0.000 0.858 343 Q CB -0.333 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 -0.007 118.692 118.700 -0.003 0.000 2.494 344 N HA -0.013 4.721 4.740 -0.009 0.000 0.182 344 N C 1.920 177.429 175.510 -0.002 0.000 1.076 344 N CA 0.166 53.215 53.050 -0.002 0.000 0.908 344 N CB 0.069 38.557 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 4.001 4.170 -0.009 0.000 0.242 345 I C 2.197 178.307 176.117 -0.012 0.000 1.088 345 I CA 1.096 62.395 61.300 -0.001 0.000 1.357 345 I CB -0.254 37.748 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 3.724 3.960 -0.009 0.000 0.214 346 G HA3 -0.231 3.724 3.960 -0.009 0.000 0.214 346 G C 1.612 176.501 174.900 -0.020 0.000 1.202 346 G CA 0.817 45.899 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 4.403 4.470 -0.009 0.000 0.240 347 S C 2.104 176.700 174.600 -0.007 0.000 1.014 347 S CA 1.271 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 4.120 3.960 -0.009 0.000 0.239 348 G HA3 0.165 4.120 3.960 -0.009 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 1.287 121.198 119.914 -0.005 0.000 3.592 349 V HA 0.098 4.212 4.120 -0.009 0.000 0.272 349 V C 2.202 178.293 176.094 -0.005 0.000 1.228 349 V CA 0.325 62.623 62.300 -0.004 0.000 1.173 349 V CB -0.193 31.620 31.823 -0.016 0.000 0.873 349 V HN 0.312 nan 8.190 nan 0.000 0.476 350 L N 1.717 122.937 121.223 -0.004 0.000 2.671 350 L HA -0.042 4.293 4.340 -0.009 0.000 0.236 350 L C 1.901 178.771 176.870 0.001 0.000 1.178 350 L CA 1.715 56.553 54.840 -0.004 0.000 0.829 350 L CB -0.788 41.270 42.059 -0.003 0.000 0.956 350 L HN 0.343 nan 8.230 nan 0.000 0.455 351 A N -0.489 122.334 122.820 0.004 0.000 2.863 351 A HA 0.109 4.424 4.320 -0.009 0.000 0.246 351 A C 1.211 178.801 177.584 0.009 0.000 1.772 351 A CA 0.331 52.373 52.037 0.008 0.000 1.456 351 A CB -1.357 17.651 19.000 0.013 0.000 0.930 351 A HN 0.343 nan 8.150 nan 0.000 0.630 352 S N -0.275 115.429 115.700 0.006 0.000 3.602 352 S HA -0.027 4.438 4.470 -0.009 0.000 0.408 352 S C 0.741 175.348 174.600 0.011 0.000 0.779 352 S CA 1.198 59.402 58.200 0.006 0.000 1.992 352 S CB -0.475 62.727 63.200 0.003 0.000 1.120 352 S HN 0.717 nan 8.310 nan 0.000 0.624 353 L N 0.847 122.078 121.223 0.014 0.000 1.240 353 L HA 0.007 4.341 4.340 -0.009 0.000 0.056 353 L C 0.829 177.716 176.870 0.028 0.000 1.516 353 L CA 0.676 55.528 54.840 0.021 0.000 1.123 353 L CB -0.931 41.143 42.059 0.025 0.000 2.272 353 L HN 0.430 nan 8.230 nan 0.000 0.440 354 S N 0.063 115.781 115.700 0.031 0.000 3.586 354 S HA -0.231 4.234 4.470 -0.009 0.000 0.309 354 S C 1.218 175.856 174.600 0.064 0.000 1.195 354 S CA 1.294 59.518 58.200 0.040 0.000 0.895 354 S CB -1.924 61.293 63.200 0.030 0.000 0.983 354 S HN 0.893 nan 8.310 nan 0.000 0.563 355 A N 2.245 125.103 122.820 0.063 0.000 2.654 355 A HA -0.308 4.007 4.320 -0.009 0.000 0.228 355 A C 2.076 179.704 177.584 0.074 0.000 1.418 355 A CA 2.382 54.462 52.037 0.072 0.000 1.034 355 A CB -0.844 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 -0.453 119.178 119.600 0.051 0.000 2.426 356 M HA -0.111 4.364 4.480 -0.009 0.000 0.261 356 M C 1.990 178.321 176.300 0.052 0.000 1.068 356 M CA 1.211 56.536 55.300 0.043 0.000 1.066 356 M CB -1.574 31.044 32.600 0.030 0.000 1.399 356 M HN 0.498 nan 8.290 nan 0.000 0.449 357 L N -0.363 120.898 121.223 0.063 0.000 1.971 357 L HA -0.136 4.198 4.340 -0.009 0.000 0.208 357 L C -0.273 176.660 176.870 0.105 0.000 1.083 357 L CA 1.217 56.097 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 64.229 63.100 0.295 0.000 0.803 358 P CB 0.020 31.947 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 4.209 4.340 -0.009 0.000 0.203 359 Q C 2.191 178.175 176.000 -0.026 0.000 0.976 359 Q CA 1.554 57.346 55.803 -0.017 0.000 0.858 359 Q CB -1.461 27.279 28.738 0.003 0.000 0.907 359 Q HN 0.206 nan 8.270 nan 0.000 0.433 360 T N -0.159 114.409 114.554 0.023 0.000 2.788 360 T HA -0.096 4.249 4.350 -0.009 0.000 0.268 360 T C 1.642 176.350 174.700 0.013 0.000 1.044 360 T CA 1.415 63.524 62.100 0.015 0.000 1.139 360 T CB -0.246 68.638 68.868 0.027 0.000 0.867 360 T HN 0.510 nan 8.240 nan 0.000 0.454 361 G N 0.384 109.208 108.800 0.039 0.000 2.453 361 G HA2 -0.246 3.709 3.960 -0.009 0.000 0.215 361 G HA3 -0.246 3.709 3.960 -0.009 0.000 0.215 361 G C 1.450 176.352 174.900 0.002 0.000 1.201 361 G CA 1.101 46.228 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 4.227 4.340 -0.009 0.000 0.207 362 Q C 2.686 178.621 176.000 -0.109 0.000 0.996 362 Q CA 2.210 57.913 55.803 -0.166 0.000 0.851 362 Q CB -0.873 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 0.100 108.838 108.800 -0.104 0.000 2.442 363 G HA2 -0.315 3.640 3.960 -0.009 0.000 0.219 363 G HA3 -0.315 3.640 3.960 -0.009 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 -0.126 115.564 115.700 -0.016 0.000 2.351 364 S HA -0.095 4.370 4.470 -0.009 0.000 0.220 364 S C 2.251 176.854 174.600 0.006 0.000 1.035 364 S CA 1.278 59.478 58.200 -0.000 0.000 1.031 364 S CB -0.385 62.820 63.200 0.008 0.000 0.928 364 S HN 0.224 nan 8.310 nan 0.000 0.433 365 L N 1.233 122.461 121.223 0.007 0.000 2.079 365 L HA -0.059 4.276 4.340 -0.009 0.000 0.210 365 L C 2.357 179.240 176.870 0.022 0.000 1.081 365 L CA 2.204 57.056 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 0.206 109.010 108.800 0.008 0.000 2.511 366 G HA2 -0.260 3.695 3.960 -0.009 0.000 0.216 366 G HA3 -0.260 3.695 3.960 -0.009 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 0.184 121.414 121.223 0.012 0.000 2.201 367 L HA 0.041 4.375 4.340 -0.009 0.000 0.212 367 L C 2.749 179.625 176.870 0.009 0.000 1.105 367 L CA 0.797 55.643 54.840 0.010 0.000 0.775 367 L CB -1.177 40.885 42.059 0.005 0.000 0.913 367 L HN 0.208 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 -0.204 4.131 4.340 -0.009 0.000 0.208 368 L C 2.437 179.319 176.870 0.020 0.000 1.077 368 L CA 1.609 56.458 54.840 0.015 0.000 0.747 368 L CB -0.465 41.608 42.059 0.024 0.000 0.896 368 L HN 0.186 nan 8.230 nan 0.000 0.432 369 M N -1.300 118.322 119.600 0.037 0.000 2.296 369 M HA -0.107 4.368 4.480 -0.009 0.000 0.265 369 M C 1.948 178.253 176.300 0.009 0.000 1.064 369 M CA 1.773 57.101 55.300 0.047 0.000 1.109 369 M CB -0.796 31.855 32.600 0.085 0.000 1.396 369 M HN 0.276 nan 8.290 nan 0.000 0.430 370 T N 1.534 116.093 114.554 0.008 0.000 2.614 370 T HA -0.136 4.209 4.350 -0.009 0.000 0.263 370 T C 1.687 176.377 174.700 -0.017 0.000 1.055 370 T CA 2.158 64.259 62.100 0.001 0.000 1.162 370 T CB -0.787 68.085 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 4.311 4.340 -0.009 0.000 0.210 371 L C 2.545 179.376 176.870 -0.065 0.000 1.073 371 L CA 1.862 56.679 54.840 -0.038 0.000 0.748 371 L CB -1.234 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 0.568 120.128 119.600 -0.066 0.000 2.149 372 M HA -0.104 4.371 4.480 -0.009 0.000 0.261 372 M C 2.303 178.500 176.300 -0.172 0.000 1.064 372 M CA 1.792 57.027 55.300 -0.108 0.000 1.102 372 M CB -1.146 31.413 32.600 -0.067 0.000 1.369 372 M HN 0.609 nan 8.290 nan 0.000 0.408 373 G N 0.912 109.627 108.800 -0.142 0.000 2.639 373 G HA2 -0.279 3.676 3.960 -0.009 0.000 0.216 373 G HA3 -0.279 3.676 3.960 -0.009 0.000 0.216 373 G C 1.290 176.099 174.900 -0.153 0.000 1.267 373 G CA 1.053 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 0.069 121.236 121.223 -0.093 0.000 2.042 374 L HA 0.027 4.361 4.340 -0.009 0.000 0.210 374 L C 2.626 179.420 176.870 -0.126 0.000 1.076 374 L CA 1.599 56.381 54.840 -0.097 0.000 0.749 374 L CB -0.732 41.288 42.059 -0.064 0.000 0.893 374 L HN 0.202 nan 8.230 nan 0.000 0.432 375 L N -0.852 120.295 121.223 -0.128 0.000 2.081 375 L HA -0.241 4.094 4.340 -0.009 0.000 0.212 375 L C 2.310 179.069 176.870 -0.185 0.000 1.080 375 L CA 1.712 56.467 54.840 -0.141 0.000 0.754 375 L CB -0.667 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 -1.457 118.969 120.570 -0.241 0.000 2.584 376 I HA -0.106 4.059 4.170 -0.009 0.000 0.255 376 I C 2.244 178.208 176.117 -0.255 0.000 1.145 376 I CA 0.801 61.910 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 1.394 121.176 119.914 -0.221 0.000 2.546 377 V HA -0.281 3.834 4.120 -0.009 0.000 0.254 377 V C 2.518 178.528 176.094 -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 31.060 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 4.294 4.340 -0.009 0.000 0.205 378 L C 1.633 178.511 176.870 0.013 0.000 1.079 378 L CA 0.549 55.355 54.840 -0.056 0.000 0.752 378 L CB -0.221 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 0.143 119.457 119.300 0.023 0.000 2.601 379 C HA 0.223 4.678 4.460 -0.009 0.000 0.409 379 C C -0.600 174.548 174.990 0.264 0.000 1.293 379 C CA -0.433 58.659 59.018 0.123 0.000 2.101 379 C CB -0.121 27.675 27.740 0.094 0.000 2.639 379 C HN 0.457 nan 8.230 nan 0.000 0.592 380 W N 6.385 127.706 121.300 0.035 0.000 3.473 380 W HA 0.631 5.286 4.660 -0.009 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 0.349 29.818 29.460 0.015 0.000 1.216 380 W HN 0.612 nan 8.180 nan 0.000 0.423 381 L N 7.560 128.642 121.223 -0.235 0.000 2.472 381 L HA 0.550 4.885 4.340 -0.009 0.000 0.260 381 L C -1.026 175.631 176.870 -0.356 0.000 0.963 381 L CA -1.324 53.349 54.840 -0.280 0.000 0.829 381 L CB 2.065 44.070 42.059 -0.090 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 -0.518 176.696 177.300 -0.143 0.000 1.065 382 P CA 0.547 63.486 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 4.335 4.340 -0.009 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