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 3oyf_1_A DATA FIRST_RESID 8 DATA SEQUENCE LDAELDQLLQ GHYIKGYPKQ YTYFLEDGKV KVSRPEGVKI IPPQSDRQKI DATA SEQUENCE VLQAHNLAHT GREATLLKIA NLYWWPNMRK DVVKQLGRCQ QCLITNASNK DATA SEQUENCE ASGPILRPDR PQKPFDKFFI DYIGPLPPSQ GYLYVLVVVD GMTGFTWLYP DATA SEQUENCE TKAPSTSATV KSLNVLTSIA IPKVIHSDQG AAFTSSTFAE WAKERGIHLE DATA SEQUENCE FSTPYHPQSS GKVERKNSDI KRLLTKLLVG RPTKWYDLLP VVQLALNNTY DATA SEQUENCE SPVLKYTPHQ LLFGIDSNTP FANQDTLDLT REEELSLLQE IRTSLYHPST DATA SEQUENCE PPASSRSWSP VVGQLVQERV ARPASLRPRW HKPSTVLKVL NPRTVVILDH DATA SEQUENCE LGNNRTVSID NLKPTSHQ 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 8 L HA 0.000 nan 4.340 nan 0.000 0.249 8 L C 0.000 176.821 176.870 -0.082 0.000 1.165 8 L CA 0.000 54.786 54.840 -0.091 0.000 0.813 8 L CB 0.000 42.005 42.059 -0.089 0.000 0.961 9 D N 0.684 121.041 120.400 -0.071 0.000 2.144 9 D HA 0.161 4.801 4.640 0.001 0.000 0.200 9 D C 2.139 178.398 176.300 -0.069 0.000 0.978 9 D CA 1.884 55.846 54.000 -0.063 0.000 0.833 9 D CB -0.053 40.717 40.800 -0.049 0.000 0.961 9 D HN 0.849 nan 8.370 nan 0.000 0.470 10 A N 1.291 124.069 122.820 -0.071 0.000 1.855 10 A HA -0.200 4.120 4.320 0.001 0.000 0.215 10 A C 2.110 179.633 177.584 -0.101 0.000 1.191 10 A CA 1.364 53.355 52.037 -0.077 0.000 0.613 10 A CB -0.558 18.401 19.000 -0.068 0.000 0.829 10 A HN 0.127 nan 8.150 nan 0.000 0.442 11 E N -0.702 119.431 120.200 -0.111 0.000 2.049 11 E HA -0.223 4.128 4.350 0.001 0.000 0.198 11 E C 1.898 178.362 176.600 -0.227 0.000 1.007 11 E CA 1.474 57.779 56.400 -0.157 0.000 0.809 11 E CB -0.281 29.341 29.700 -0.129 0.000 0.749 11 E HN 0.420 nan 8.360 nan 0.000 0.450 12 L N 1.318 122.424 121.223 -0.195 0.000 2.141 12 L HA -0.162 4.178 4.340 0.001 0.000 0.209 12 L C 2.034 178.814 176.870 -0.150 0.000 1.094 12 L CA 1.450 56.166 54.840 -0.207 0.000 0.763 12 L CB -0.563 41.423 42.059 -0.123 0.000 0.908 12 L HN 0.090 nan 8.230 nan 0.000 0.437 13 D N -0.378 119.958 120.400 -0.107 0.000 2.087 13 D HA -0.221 4.420 4.640 0.001 0.000 0.192 13 D C 2.065 178.324 176.300 -0.068 0.000 0.993 13 D CA 1.293 55.252 54.000 -0.069 0.000 0.828 13 D CB 0.060 40.825 40.800 -0.060 0.000 0.968 13 D HN 0.407 nan 8.370 nan 0.000 0.448 14 Q N -0.278 119.462 119.800 -0.101 0.000 2.297 14 Q HA -0.165 4.175 4.340 0.001 0.000 0.208 14 Q C 2.177 178.149 176.000 -0.047 0.000 0.981 14 Q CA 0.501 56.247 55.803 -0.095 0.000 0.876 14 Q CB -0.008 28.635 28.738 -0.158 0.000 0.921 14 Q HN 0.240 nan 8.270 nan 0.000 0.446 15 L N 0.176 121.306 121.223 -0.154 0.000 2.044 15 L HA -0.115 4.226 4.340 0.001 0.000 0.205 15 L C 1.931 178.747 176.870 -0.089 0.000 1.075 15 L CA 1.357 56.057 54.840 -0.234 0.000 0.747 15 L CB -0.233 41.523 42.059 -0.504 0.000 0.903 15 L HN 0.169 nan 8.230 nan 0.000 0.435 16 L N -0.294 120.905 121.223 -0.040 0.000 2.079 16 L HA -0.234 4.106 4.340 0.001 0.000 0.210 16 L C 2.254 179.173 176.870 0.082 0.000 1.081 16 L CA 1.569 56.437 54.840 0.048 0.000 0.752 16 L CB -0.592 41.494 42.059 0.044 0.000 0.896 16 L HN 0.527 nan 8.230 nan 0.000 0.433 17 Q N -0.014 119.840 119.800 0.090 0.000 2.387 17 Q HA 0.094 4.434 4.340 0.001 0.000 0.211 17 Q C 1.124 177.180 176.000 0.094 0.000 0.952 17 Q CA 0.602 56.475 55.803 0.118 0.000 0.957 17 Q CB 0.066 28.899 28.738 0.160 0.000 1.002 17 Q HN 0.404 nan 8.270 nan 0.000 0.502 18 G N 0.754 109.599 108.800 0.076 0.000 2.179 18 G HA2 -0.286 3.675 3.960 0.001 0.000 0.260 18 G HA3 -0.286 3.675 3.960 0.001 0.000 0.260 18 G C -0.289 174.591 174.900 -0.034 0.000 0.977 18 G CA 0.382 45.495 45.100 0.022 0.000 0.641 18 G HN 0.643 nan 8.290 nan 0.000 0.533 19 H N -1.138 117.951 119.070 0.031 0.000 2.679 19 H HA 0.489 5.046 4.556 0.001 0.000 0.369 19 H C 0.167 175.537 175.328 0.069 0.000 1.178 19 H CA 0.297 56.375 56.048 0.050 0.000 1.419 19 H CB 0.470 30.241 29.762 0.015 0.000 1.458 19 H HN 0.308 nan 8.280 nan 0.000 0.605 20 Y N 1.664 122.040 120.300 0.127 0.000 2.327 20 Y HA 0.357 4.908 4.550 0.001 0.000 0.336 20 Y C -1.186 174.762 175.900 0.081 0.000 1.035 20 Y CA -0.812 57.343 58.100 0.091 0.000 1.165 20 Y CB 0.029 38.546 38.460 0.095 0.000 1.181 20 Y HN 0.415 nan 8.280 nan 0.000 0.494 21 I N 6.453 126.632 120.570 -0.652 0.000 2.404 21 I HA 0.253 4.423 4.170 0.001 0.000 0.293 21 I C -0.317 175.339 176.117 -0.769 0.000 0.992 21 I CA -0.923 60.045 61.300 -0.554 0.000 1.149 21 I CB 1.626 39.455 38.000 -0.285 0.000 1.315 21 I HN 0.525 nan 8.210 nan 0.000 0.446 22 K N 4.516 124.617 120.400 -0.497 0.000 2.491 22 K HA 0.197 4.518 4.320 0.001 0.000 0.279 22 K C 1.080 177.671 176.600 -0.014 0.000 1.026 22 K CA 1.254 57.430 56.287 -0.186 0.000 1.070 22 K CB -0.035 32.487 32.500 0.036 0.000 0.887 22 K HN 0.946 nan 8.250 nan 0.000 0.481 23 G N 3.543 112.393 108.800 0.083 0.000 2.176 23 G HA2 -0.277 3.684 3.960 0.001 0.000 0.253 23 G HA3 -0.277 3.684 3.960 0.001 0.000 0.253 23 G C -0.573 174.352 174.900 0.041 0.000 0.979 23 G CA 0.166 45.297 45.100 0.051 0.000 0.641 23 G HN 0.647 nan 8.290 nan 0.000 0.530 24 Y N 2.340 122.741 120.300 0.168 0.000 2.593 24 Y HA 0.457 5.007 4.550 0.001 0.000 0.331 24 Y C -1.708 174.437 175.900 0.408 0.000 0.986 24 Y CA -2.174 56.117 58.100 0.319 0.000 1.262 24 Y CB 1.293 39.773 38.460 0.034 0.000 1.098 24 Y HN 0.017 nan 8.280 nan 0.000 0.506 25 P HA -0.010 nan 4.420 nan 0.000 0.264 25 P C 0.549 178.167 177.300 0.531 0.000 1.183 25 P CA 0.223 63.631 63.100 0.514 0.000 0.763 25 P CB 0.956 32.943 31.700 0.478 0.000 0.807 26 K N 3.214 123.852 120.400 0.396 0.000 2.148 26 K HA -0.173 4.148 4.320 0.001 0.000 0.204 26 K C 1.929 178.635 176.600 0.177 0.000 1.050 26 K CA 2.039 58.524 56.287 0.330 0.000 0.942 26 K CB -1.337 31.282 32.500 0.199 0.000 0.724 26 K HN 0.788 nan 8.250 nan 0.000 0.446 27 Q N -1.457 118.340 119.800 -0.006 0.000 2.482 27 Q HA 0.062 4.402 4.340 0.001 0.000 0.209 27 Q C -0.328 175.451 176.000 -0.368 0.000 0.961 27 Q CA 0.145 55.820 55.803 -0.214 0.000 0.945 27 Q CB -0.448 28.090 28.738 -0.334 0.000 1.012 27 Q HN 0.647 nan 8.270 nan 0.000 0.515 28 Y N 1.353 121.605 120.300 -0.081 0.000 2.419 28 Y HA 0.354 4.905 4.550 0.001 0.000 0.328 28 Y C 0.313 175.993 175.900 -0.367 0.000 1.162 28 Y CA -1.058 56.875 58.100 -0.278 0.000 1.174 28 Y CB 1.637 39.807 38.460 -0.485 0.000 1.228 28 Y HN -0.031 nan 8.280 nan 0.000 0.473 29 T N -0.646 113.834 114.554 -0.123 0.000 2.767 29 T HA 0.525 4.875 4.350 0.001 0.000 0.284 29 T C -1.175 173.481 174.700 -0.072 0.000 0.973 29 T CA -0.732 61.349 62.100 -0.031 0.000 0.996 29 T CB -0.057 68.860 68.868 0.081 0.000 0.927 29 T HN 0.371 nan 8.240 nan 0.000 0.456 30 Y N 3.556 123.968 120.300 0.187 0.000 2.331 30 Y HA 0.595 5.145 4.550 0.001 0.000 0.338 30 Y C 0.034 176.035 175.900 0.168 0.000 0.992 30 Y CA -1.458 56.701 58.100 0.098 0.000 1.121 30 Y CB 0.792 39.280 38.460 0.046 0.000 1.184 30 Y HN 0.810 nan 8.280 nan 0.000 0.469 31 F N 0.662 120.709 119.950 0.161 0.000 2.691 31 F HA 0.839 5.367 4.527 0.001 0.000 0.334 31 F C -1.815 174.040 175.800 0.093 0.000 1.107 31 F CA -1.726 56.337 58.000 0.104 0.000 0.991 31 F CB 1.220 40.258 39.000 0.063 0.000 1.400 31 F HN 0.293 nan 8.300 nan 0.000 0.503 32 L N 0.836 122.244 121.223 0.308 0.000 2.334 32 L HA 0.654 4.995 4.340 0.001 0.000 0.276 32 L C -1.201 175.833 176.870 0.272 0.000 1.014 32 L CA -0.320 54.626 54.840 0.176 0.000 0.815 32 L CB 1.845 43.978 42.059 0.123 0.000 1.268 32 L HN 0.906 nan 8.230 nan 0.000 0.428 33 E N 2.799 123.105 120.200 0.177 0.000 2.481 33 E HA 0.145 4.495 4.350 0.001 0.000 0.301 33 E C -1.347 175.317 176.600 0.107 0.000 0.948 33 E CA -0.478 56.033 56.400 0.184 0.000 0.804 33 E CB 1.028 30.914 29.700 0.311 0.000 1.265 33 E HN 0.733 nan 8.360 nan 0.000 0.406 34 D N 2.761 123.212 120.400 0.085 0.000 2.983 34 D HA -0.205 4.436 4.640 0.001 0.000 0.225 34 D C 0.651 176.982 176.300 0.051 0.000 1.174 34 D CA 2.045 56.082 54.000 0.061 0.000 0.831 34 D CB -1.400 39.435 40.800 0.057 0.000 1.104 34 D HN 1.001 nan 8.370 nan 0.000 0.421 35 G N -0.955 107.876 108.800 0.052 0.000 2.136 35 G HA2 -0.345 3.615 3.960 0.001 0.000 0.242 35 G HA3 -0.345 3.615 3.960 0.001 0.000 0.242 35 G C 0.137 175.060 174.900 0.039 0.000 0.989 35 G CA 0.558 45.682 45.100 0.041 0.000 0.682 35 G HN 0.503 nan 8.290 nan 0.000 0.522 36 K N -0.370 120.056 120.400 0.043 0.000 2.468 36 K HA 0.586 4.907 4.320 0.001 0.000 0.252 36 K C 0.244 176.850 176.600 0.010 0.000 0.932 36 K CA -0.809 55.501 56.287 0.037 0.000 0.794 36 K CB 2.790 35.321 32.500 0.052 0.000 1.241 36 K HN 0.101 nan 8.250 nan 0.000 0.428 37 V N 3.809 123.727 119.914 0.007 0.000 2.585 37 V HA 0.113 4.234 4.120 0.001 0.000 0.296 37 V C 0.106 176.148 176.094 -0.086 0.000 1.035 37 V CA 0.221 62.504 62.300 -0.028 0.000 1.084 37 V CB 0.293 32.126 31.823 0.016 0.000 0.953 37 V HN 0.661 nan 8.190 nan 0.000 0.483 38 K N 3.106 123.304 120.400 -0.335 0.000 2.378 38 K HA 0.887 5.208 4.320 0.001 0.000 0.244 38 K C -1.451 174.823 176.600 -0.544 0.000 1.039 38 K CA -0.904 55.090 56.287 -0.489 0.000 0.863 38 K CB 2.753 34.790 32.500 -0.771 0.000 1.326 38 K HN 0.391 nan 8.250 nan 0.000 0.460 39 V N 0.081 119.773 119.914 -0.369 0.000 2.891 39 V HA 0.278 4.398 4.120 0.001 0.000 0.304 39 V C -1.445 174.546 176.094 -0.171 0.000 1.171 39 V CA -0.466 61.661 62.300 -0.288 0.000 0.943 39 V CB 2.138 33.774 31.823 -0.311 0.000 1.037 39 V HN 0.782 nan 8.190 nan 0.000 0.427 40 S N 7.008 122.677 115.700 -0.051 0.000 2.411 40 S HA 0.580 5.050 4.470 0.001 0.000 0.304 40 S C -0.127 174.383 174.600 -0.149 0.000 1.098 40 S CA -0.463 57.739 58.200 0.003 0.000 1.068 40 S CB -0.205 63.065 63.200 0.117 0.000 1.032 40 S HN 0.743 nan 8.310 nan 0.000 0.511 41 R N 3.953 124.306 120.500 -0.246 0.000 2.787 41 R HA 0.370 4.710 4.340 0.001 0.000 0.271 41 R C -1.789 174.419 176.300 -0.155 0.000 0.993 41 R CA -2.311 53.549 56.100 -0.399 0.000 0.993 41 R CB 0.750 30.683 30.300 -0.612 0.000 1.155 41 R HN 0.306 nan 8.270 nan 0.000 0.486 42 P HA -0.225 nan 4.420 nan 0.000 0.217 42 P C 0.203 177.487 177.300 -0.027 0.000 1.158 42 P CA 1.530 64.623 63.100 -0.012 0.000 0.887 42 P CB 0.300 32.008 31.700 0.013 0.000 0.792 43 E N -1.141 119.032 120.200 -0.046 0.000 2.268 43 E HA 0.207 4.558 4.350 0.001 0.000 0.195 43 E C 1.334 177.918 176.600 -0.027 0.000 0.995 43 E CA 0.977 57.360 56.400 -0.029 0.000 0.836 43 E CB -0.568 29.117 29.700 -0.025 0.000 0.763 43 E HN 0.318 nan 8.360 nan 0.000 0.491 44 G N -1.308 107.468 108.800 -0.039 0.000 2.302 44 G HA2 0.008 3.969 3.960 0.001 0.000 0.276 44 G HA3 0.008 3.969 3.960 0.001 0.000 0.276 44 G C -1.373 173.508 174.900 -0.031 0.000 1.316 44 G CA -0.605 44.481 45.100 -0.022 0.000 0.988 44 G HN 0.015 nan 8.290 nan 0.000 0.479 45 V N 1.962 121.878 119.914 0.003 0.000 2.432 45 V HA 0.594 4.715 4.120 0.001 0.000 0.275 45 V C -0.135 175.954 176.094 -0.008 0.000 1.043 45 V CA -0.436 61.875 62.300 0.019 0.000 0.925 45 V CB 1.231 33.120 31.823 0.109 0.000 0.985 45 V HN 0.618 nan 8.190 nan 0.000 0.466 46 K N 4.471 124.860 120.400 -0.019 0.000 2.318 46 K HA 0.621 4.941 4.320 0.001 0.000 0.249 46 K C -0.716 175.921 176.600 0.063 0.000 0.942 46 K CA -0.808 55.495 56.287 0.028 0.000 0.808 46 K CB 2.873 35.446 32.500 0.121 0.000 1.189 46 K HN 0.462 nan 8.250 nan 0.000 0.428 47 I N 2.843 123.467 120.570 0.089 0.000 2.416 47 I HA 0.174 4.344 4.170 0.001 0.000 0.288 47 I C 0.377 176.739 176.117 0.408 0.000 1.051 47 I CA -0.290 61.122 61.300 0.186 0.000 1.375 47 I CB 0.335 38.440 38.000 0.175 0.000 1.407 47 I HN 0.279 nan 8.210 nan 0.000 0.516 48 I N 9.353 130.125 120.570 0.337 0.000 2.291 48 I HA 0.230 4.401 4.170 0.001 0.000 0.292 48 I C -1.970 174.301 176.117 0.257 0.000 1.064 48 I CA -1.767 59.781 61.300 0.413 0.000 1.269 48 I CB 0.341 38.605 38.000 0.441 0.000 1.418 48 I HN 0.309 nan 8.210 nan 0.000 0.485 49 P HA 0.272 nan 4.420 nan 0.000 0.276 49 P C -2.607 174.626 177.300 -0.111 0.000 1.244 49 P CA -1.865 61.223 63.100 -0.020 0.000 0.801 49 P CB -0.043 31.511 31.700 -0.243 0.000 1.006 50 P HA 0.019 nan 4.420 nan 0.000 0.269 50 P C 0.969 178.123 177.300 -0.243 0.000 1.209 50 P CA 0.165 63.181 63.100 -0.139 0.000 0.776 50 P CB 0.634 32.269 31.700 -0.109 0.000 0.876 51 Q N 2.177 121.842 119.800 -0.224 0.000 2.181 51 Q HA -0.171 4.170 4.340 0.001 0.000 0.205 51 Q C 1.736 177.571 176.000 -0.275 0.000 0.980 51 Q CA 2.088 57.714 55.803 -0.296 0.000 0.862 51 Q CB -0.236 28.383 28.738 -0.197 0.000 0.905 51 Q HN 0.578 nan 8.270 nan 0.000 0.429 52 S N -0.829 114.752 115.700 -0.198 0.000 2.555 52 S HA -0.077 4.393 4.470 0.001 0.000 0.230 52 S C 0.815 175.307 174.600 -0.181 0.000 0.978 52 S CA 1.020 59.122 58.200 -0.162 0.000 0.934 52 S CB 0.191 63.322 63.200 -0.115 0.000 0.766 52 S HN 0.309 nan 8.310 nan 0.000 0.533 53 D N 1.012 121.268 120.400 -0.241 0.000 2.417 53 D HA 0.251 4.891 4.640 0.001 0.000 0.207 53 D C 1.995 178.090 176.300 -0.342 0.000 1.075 53 D CA 0.101 53.953 54.000 -0.247 0.000 0.851 53 D CB 0.070 40.731 40.800 -0.232 0.000 0.976 53 D HN 0.378 nan 8.370 nan 0.000 0.505 54 R N 0.408 120.620 120.500 -0.480 0.000 2.075 54 R HA -0.101 4.240 4.340 0.001 0.000 0.232 54 R C 2.161 178.265 176.300 -0.327 0.000 1.126 54 R CA 1.096 56.789 56.100 -0.678 0.000 0.963 54 R CB -0.123 29.493 30.300 -1.140 0.000 0.858 54 R HN 0.201 nan 8.270 nan 0.000 0.435 55 Q N 1.577 121.242 119.800 -0.226 0.000 2.077 55 Q HA -0.247 4.093 4.340 0.001 0.000 0.206 55 Q C 2.021 177.968 176.000 -0.089 0.000 0.989 55 Q CA 1.918 57.649 55.803 -0.121 0.000 0.853 55 Q CB -0.052 28.623 28.738 -0.105 0.000 0.907 55 Q HN 0.160 nan 8.270 nan 0.000 0.418 56 K N -0.014 120.322 120.400 -0.106 0.000 2.097 56 K HA -0.146 4.175 4.320 0.001 0.000 0.206 56 K C 2.020 178.587 176.600 -0.055 0.000 1.049 56 K CA 1.487 57.730 56.287 -0.072 0.000 0.933 56 K CB -0.128 32.325 32.500 -0.078 0.000 0.717 56 K HN 0.344 nan 8.250 nan 0.000 0.442 57 I N 0.338 120.853 120.570 -0.093 0.000 2.113 57 I HA -0.286 3.884 4.170 0.001 0.000 0.238 57 I C 2.196 178.343 176.117 0.049 0.000 1.070 57 I CA 0.962 62.232 61.300 -0.050 0.000 1.332 57 I CB -0.231 37.649 38.000 -0.199 0.000 1.044 57 I HN -0.043 nan 8.210 nan 0.000 0.402 58 V N 0.800 120.765 119.914 0.085 0.000 2.324 58 V HA -0.306 3.814 4.120 0.001 0.000 0.250 58 V C 2.401 178.529 176.094 0.056 0.000 1.060 58 V CA 1.927 64.285 62.300 0.097 0.000 1.042 58 V CB -0.619 31.260 31.823 0.095 0.000 0.650 58 V HN 0.379 nan 8.190 nan 0.000 0.450 59 L N -0.445 120.793 121.223 0.025 0.000 2.056 59 L HA -0.178 4.162 4.340 0.001 0.000 0.207 59 L C 2.468 179.355 176.870 0.029 0.000 1.078 59 L CA 1.896 56.752 54.840 0.027 0.000 0.749 59 L CB -0.538 41.522 42.059 0.001 0.000 0.901 59 L HN 0.319 nan 8.230 nan 0.000 0.433 60 Q N -0.982 118.830 119.800 0.020 0.000 2.079 60 Q HA -0.133 4.207 4.340 0.001 0.000 0.200 60 Q C 2.275 178.280 176.000 0.008 0.000 0.974 60 Q CA 1.436 57.246 55.803 0.011 0.000 0.840 60 Q CB -0.301 28.452 28.738 0.025 0.000 0.898 60 Q HN 0.685 nan 8.270 nan 0.000 0.430 61 A N 0.508 123.353 122.820 0.040 0.000 1.858 61 A HA -0.275 4.045 4.320 0.001 0.000 0.216 61 A C 1.803 179.383 177.584 -0.005 0.000 1.190 61 A CA 2.016 54.075 52.037 0.035 0.000 0.617 61 A CB -0.922 18.118 19.000 0.066 0.000 0.827 61 A HN 0.504 nan 8.150 nan 0.000 0.443 62 H N 0.291 119.314 119.070 -0.079 0.000 2.353 62 H HA -0.085 4.471 4.556 0.001 0.000 0.300 62 H C 1.628 176.804 175.328 -0.253 0.000 1.090 62 H CA 2.034 58.004 56.048 -0.130 0.000 1.327 62 H CB -0.156 29.532 29.762 -0.123 0.000 1.383 62 H HN 0.393 nan 8.280 nan 0.000 0.508 63 N N 0.192 118.679 118.700 -0.354 0.000 2.520 63 N HA -0.066 4.674 4.740 0.001 0.000 0.185 63 N C 1.776 177.078 175.510 -0.347 0.000 1.068 63 N CA 0.611 53.339 53.050 -0.538 0.000 0.911 63 N CB -0.126 38.219 38.487 -0.237 0.000 0.961 63 N HN 0.433 nan 8.380 nan 0.000 0.446 64 L N -0.383 120.708 121.223 -0.220 0.000 1.994 64 L HA -0.103 4.238 4.340 0.001 0.000 0.208 64 L C 1.474 178.283 176.870 -0.102 0.000 1.071 64 L CA 1.547 56.318 54.840 -0.114 0.000 0.745 64 L CB -0.199 41.819 42.059 -0.069 0.000 0.892 64 L HN 0.120 nan 8.230 nan 0.000 0.431 65 A N -3.527 119.205 122.820 -0.146 0.000 2.630 65 A HA 0.180 4.501 4.320 0.001 0.000 0.287 65 A C 0.028 177.571 177.584 -0.068 0.000 1.040 65 A CA -0.412 51.584 52.037 -0.068 0.000 0.971 65 A CB -0.188 18.790 19.000 -0.038 0.000 1.241 65 A HN 0.442 nan 8.150 nan 0.000 0.558 66 H N 1.620 120.474 119.070 -0.361 0.000 2.604 66 H HA -0.151 4.406 4.556 0.001 0.000 0.321 66 H C 0.432 175.576 175.328 -0.307 0.000 1.132 66 H CA 1.298 56.982 56.048 -0.606 0.000 1.129 66 H CB -1.879 27.735 29.762 -0.248 0.000 1.526 66 H HN 0.750 nan 8.280 nan 0.000 0.415 67 T N -2.252 112.178 114.554 -0.206 0.000 2.849 67 T HA 0.525 4.875 4.350 0.001 0.000 0.284 67 T C 1.339 176.144 174.700 0.176 0.000 1.004 67 T CA -0.275 61.838 62.100 0.021 0.000 1.021 67 T CB 2.407 71.274 68.868 -0.001 0.000 1.013 67 T HN 0.377 nan 8.240 nan 0.000 0.527 68 G N -0.307 108.566 108.800 0.122 0.000 2.531 68 G HA2 0.279 4.240 3.960 0.001 0.000 0.253 68 G HA3 0.279 4.240 3.960 0.001 0.000 0.253 68 G C 0.827 175.765 174.900 0.062 0.000 1.439 68 G CA -0.663 44.505 45.100 0.113 0.000 1.056 68 G HN 0.794 nan 8.290 nan 0.000 0.555 69 R N -0.503 120.016 120.500 0.032 0.000 2.096 69 R HA -0.094 4.247 4.340 0.001 0.000 0.229 69 R C 2.395 178.689 176.300 -0.010 0.000 1.134 69 R CA 1.841 57.935 56.100 -0.009 0.000 0.917 69 R CB -0.471 29.828 30.300 -0.002 0.000 0.832 69 R HN 0.499 nan 8.270 nan 0.000 0.430 70 E N 0.319 120.518 120.200 -0.001 0.000 2.051 70 E HA -0.161 4.190 4.350 0.001 0.000 0.192 70 E C 1.870 178.467 176.600 -0.005 0.000 0.991 70 E CA 1.444 57.839 56.400 -0.008 0.000 0.799 70 E CB -0.430 29.269 29.700 -0.002 0.000 0.748 70 E HN 0.480 nan 8.360 nan 0.000 0.449 71 A N 0.776 123.600 122.820 0.008 0.000 1.930 71 A HA -0.130 4.191 4.320 0.001 0.000 0.217 71 A C 2.422 180.009 177.584 0.006 0.000 1.175 71 A CA 1.969 54.010 52.037 0.007 0.000 0.627 71 A CB -0.769 18.238 19.000 0.012 0.000 0.815 71 A HN 0.265 nan 8.150 nan 0.000 0.443 72 T N 0.175 114.741 114.554 0.019 0.000 2.737 72 T HA -0.126 4.225 4.350 0.001 0.000 0.265 72 T C 1.873 176.568 174.700 -0.009 0.000 1.038 72 T CA 1.425 63.539 62.100 0.023 0.000 1.144 72 T CB -0.441 68.465 68.868 0.064 0.000 0.866 72 T HN 0.355 nan 8.240 nan 0.000 0.434 73 L N 0.957 122.159 121.223 -0.034 0.000 2.012 73 L HA -0.047 4.294 4.340 0.001 0.000 0.210 73 L C 2.221 179.055 176.870 -0.059 0.000 1.073 73 L CA 1.615 56.410 54.840 -0.075 0.000 0.748 73 L CB -0.595 41.408 42.059 -0.094 0.000 0.891 73 L HN 0.212 nan 8.230 nan 0.000 0.431 74 L N -0.585 120.617 121.223 -0.034 0.000 2.127 74 L HA -0.226 4.114 4.340 0.001 0.000 0.211 74 L C 2.664 179.525 176.870 -0.014 0.000 1.089 74 L CA 1.066 55.892 54.840 -0.024 0.000 0.757 74 L CB -0.664 41.386 42.059 -0.015 0.000 0.899 74 L HN 0.258 nan 8.230 nan 0.000 0.434 75 K N 0.245 120.643 120.400 -0.005 0.000 1.984 75 K HA -0.095 4.226 4.320 0.001 0.000 0.209 75 K C 2.078 178.697 176.600 0.031 0.000 1.046 75 K CA 1.473 57.767 56.287 0.011 0.000 0.934 75 K CB -0.440 32.072 32.500 0.018 0.000 0.717 75 K HN 0.263 nan 8.250 nan 0.000 0.438 76 I N 1.350 121.943 120.570 0.039 0.000 2.151 76 I HA -0.303 3.867 4.170 0.001 0.000 0.243 76 I C 2.389 178.543 176.117 0.062 0.000 1.080 76 I CA 1.484 62.843 61.300 0.099 0.000 1.339 76 I CB -0.484 37.511 38.000 -0.009 0.000 1.039 76 I HN 0.088 nan 8.210 nan 0.000 0.409 77 A N 0.596 123.400 122.820 -0.027 0.000 2.131 77 A HA -0.210 4.110 4.320 0.001 0.000 0.220 77 A C 1.960 179.537 177.584 -0.012 0.000 1.158 77 A CA 1.669 53.690 52.037 -0.027 0.000 0.665 77 A CB -0.699 18.277 19.000 -0.040 0.000 0.795 77 A HN 0.443 nan 8.150 nan 0.000 0.460 78 N N -0.357 118.330 118.700 -0.021 0.000 2.223 78 N HA -0.056 4.684 4.740 0.001 0.000 0.185 78 N C 1.391 176.844 175.510 -0.096 0.000 1.016 78 N CA 1.359 54.383 53.050 -0.042 0.000 0.863 78 N CB -0.152 38.315 38.487 -0.034 0.000 0.983 78 N HN 0.572 nan 8.380 nan 0.000 0.429 79 L N -2.291 118.824 121.223 -0.180 0.000 2.653 79 L HA 0.207 4.548 4.340 0.001 0.000 0.230 79 L C -0.317 176.256 176.870 -0.495 0.000 1.055 79 L CA 0.094 54.673 54.840 -0.434 0.000 0.880 79 L CB 0.246 41.842 42.059 -0.771 0.000 1.195 79 L HN -0.048 nan 8.230 nan 0.000 0.492 80 Y N -1.728 118.626 120.300 0.091 0.000 2.587 80 Y HA 0.427 4.978 4.550 0.001 0.000 0.337 80 Y C -0.844 175.144 175.900 0.146 0.000 1.065 80 Y CA -1.110 57.088 58.100 0.164 0.000 1.126 80 Y CB 1.485 40.116 38.460 0.286 0.000 1.279 80 Y HN -0.091 nan 8.280 nan 0.000 0.489 81 W N 2.980 124.421 121.300 0.235 0.000 3.129 81 W HA 0.581 5.242 4.660 0.001 0.000 0.333 81 W C -2.222 174.456 176.519 0.265 0.000 1.141 81 W CA -1.209 56.172 57.345 0.059 0.000 1.224 81 W CB 1.281 30.742 29.460 0.001 0.000 1.393 81 W HN 0.642 nan 8.180 nan 0.000 0.499 82 W N 4.432 125.143 121.300 -0.982 0.000 2.988 82 W HA 0.802 5.463 4.660 0.001 0.000 0.355 82 W C -3.029 172.450 176.519 -1.733 0.000 1.233 82 W CA -2.672 53.975 57.345 -1.163 0.000 1.176 82 W CB 0.030 29.230 29.460 -0.434 0.000 1.477 82 W HN 0.138 nan 8.180 nan 0.000 0.582 83 P HA 0.120 nan 4.420 nan 0.000 0.271 83 P C -0.591 176.503 177.300 -0.343 0.000 1.220 83 P CA 0.334 63.047 63.100 -0.645 0.000 0.768 83 P CB 0.439 31.843 31.700 -0.492 0.000 0.848 84 N N 1.940 120.448 118.700 -0.320 0.000 2.708 84 N HA -0.182 4.558 4.740 0.001 0.000 0.255 84 N C 0.703 176.076 175.510 -0.229 0.000 1.046 84 N CA 0.619 53.549 53.050 -0.199 0.000 0.715 84 N CB -1.387 37.044 38.487 -0.095 0.000 0.895 84 N HN 0.546 nan 8.380 nan 0.000 0.545 85 M N 0.019 119.332 119.600 -0.479 0.000 2.086 85 M HA -0.135 4.346 4.480 0.001 0.000 0.261 85 M C 2.106 178.235 176.300 -0.284 0.000 1.067 85 M CA 1.766 56.691 55.300 -0.626 0.000 1.116 85 M CB -0.106 31.926 32.600 -0.946 0.000 1.348 85 M HN 0.241 nan 8.290 nan 0.000 0.407 86 R N 0.126 120.492 120.500 -0.223 0.000 2.152 86 R HA -0.123 4.217 4.340 0.001 0.000 0.232 86 R C 2.089 178.333 176.300 -0.093 0.000 1.117 86 R CA 1.201 57.218 56.100 -0.139 0.000 0.981 86 R CB -0.187 30.048 30.300 -0.107 0.000 0.870 86 R HN 0.362 nan 8.270 nan 0.000 0.451 87 K N 0.289 120.644 120.400 -0.075 0.000 2.057 87 K HA -0.139 4.181 4.320 0.001 0.000 0.207 87 K C 1.421 178.002 176.600 -0.032 0.000 1.049 87 K CA 1.507 57.767 56.287 -0.045 0.000 0.931 87 K CB 0.019 32.500 32.500 -0.032 0.000 0.714 87 K HN 0.191 nan 8.250 nan 0.000 0.440 88 D N 0.240 120.646 120.400 0.011 0.000 2.224 88 D HA -0.091 4.549 4.640 0.001 0.000 0.205 88 D C 1.923 178.216 176.300 -0.012 0.000 0.965 88 D CA 0.778 54.803 54.000 0.041 0.000 0.852 88 D CB 0.079 40.997 40.800 0.196 0.000 0.947 88 D HN -0.033 nan 8.370 nan 0.000 0.494 89 V N 0.943 120.829 119.914 -0.047 0.000 2.307 89 V HA -0.184 3.937 4.120 0.001 0.000 0.245 89 V C 2.708 178.696 176.094 -0.177 0.000 1.045 89 V CA 0.954 63.197 62.300 -0.095 0.000 1.024 89 V CB -0.396 31.368 31.823 -0.098 0.000 0.651 89 V HN 0.036 nan 8.190 nan 0.000 0.449 90 V N -0.191 119.618 119.914 -0.176 0.000 2.407 90 V HA -0.293 3.827 4.120 0.001 0.000 0.248 90 V C 2.451 178.398 176.094 -0.245 0.000 1.055 90 V CA 2.144 64.284 62.300 -0.267 0.000 1.049 90 V CB -0.697 31.041 31.823 -0.142 0.000 0.662 90 V HN 0.526 nan 8.190 nan 0.000 0.455 91 K N -0.530 119.785 120.400 -0.141 0.000 2.044 91 K HA -0.263 4.057 4.320 0.001 0.000 0.210 91 K C 2.345 178.862 176.600 -0.138 0.000 1.049 91 K CA 1.728 57.952 56.287 -0.107 0.000 0.927 91 K CB -0.093 32.366 32.500 -0.068 0.000 0.713 91 K HN 0.371 nan 8.250 nan 0.000 0.443 92 Q N 0.498 120.195 119.800 -0.170 0.000 2.119 92 Q HA -0.075 4.265 4.340 0.001 0.000 0.201 92 Q C 2.247 178.065 176.000 -0.305 0.000 0.972 92 Q CA 0.977 56.658 55.803 -0.204 0.000 0.847 92 Q CB -0.193 28.423 28.738 -0.204 0.000 0.903 92 Q HN 0.382 nan 8.270 nan 0.000 0.433 93 L N -0.480 120.494 121.223 -0.414 0.000 1.989 93 L HA -0.161 4.179 4.340 0.001 0.000 0.211 93 L C 2.260 178.995 176.870 -0.226 0.000 1.071 93 L CA 1.498 56.052 54.840 -0.477 0.000 0.749 93 L CB -1.046 40.520 42.059 -0.821 0.000 0.890 93 L HN 0.281 nan 8.230 nan 0.000 0.431 94 G N -0.537 108.154 108.800 -0.183 0.000 2.535 94 G HA2 -0.197 3.763 3.960 0.001 0.000 0.218 94 G HA3 -0.197 3.763 3.960 0.001 0.000 0.218 94 G C 1.677 176.572 174.900 -0.008 0.000 1.122 94 G CA 0.286 45.407 45.100 0.034 0.000 0.769 94 G HN 0.362 nan 8.290 nan 0.000 0.549 95 R N -1.272 119.194 120.500 -0.056 0.000 2.365 95 R HA 0.148 4.489 4.340 0.001 0.000 0.223 95 R C 0.329 176.618 176.300 -0.018 0.000 0.899 95 R CA -0.289 55.791 56.100 -0.034 0.000 1.059 95 R CB 0.200 30.474 30.300 -0.044 0.000 1.086 95 R HN 0.237 nan 8.270 nan 0.000 0.522 96 C N 2.386 121.670 119.300 -0.028 0.000 2.345 96 C HA 0.112 4.573 4.460 0.001 0.000 0.349 96 C C 1.840 176.870 174.990 0.067 0.000 1.130 96 C CA -0.556 58.488 59.018 0.044 0.000 1.574 96 C CB -0.141 27.645 27.740 0.078 0.000 2.108 96 C HN 0.457 nan 8.230 nan 0.000 0.516 97 Q N 2.697 122.530 119.800 0.055 0.000 2.096 97 Q HA -0.255 4.086 4.340 0.001 0.000 0.208 97 Q C 2.062 178.084 176.000 0.038 0.000 0.993 97 Q CA 2.432 58.260 55.803 0.042 0.000 0.862 97 Q CB -0.071 28.690 28.738 0.039 0.000 0.915 97 Q HN 0.916 nan 8.270 nan 0.000 0.416 98 Q N -1.613 118.206 119.800 0.032 0.000 2.124 98 Q HA -0.127 4.213 4.340 0.001 0.000 0.202 98 Q C 2.344 178.336 176.000 -0.014 0.000 0.977 98 Q CA 1.621 57.404 55.803 -0.033 0.000 0.850 98 Q CB -0.206 28.435 28.738 -0.162 0.000 0.901 98 Q HN 0.447 nan 8.270 nan 0.000 0.429 99 C N 0.076 119.418 119.300 0.071 0.000 2.440 99 C HA -0.051 4.409 4.460 0.001 0.000 0.278 99 C C 2.434 177.455 174.990 0.052 0.000 1.295 99 C CA 0.390 59.471 59.018 0.105 0.000 1.738 99 C CB -0.862 27.016 27.740 0.229 0.000 1.987 99 C HN 0.500 nan 8.230 nan 0.000 0.492 100 L N 1.238 122.483 121.223 0.036 0.000 2.083 100 L HA -0.124 4.217 4.340 0.001 0.000 0.209 100 L C 2.338 179.188 176.870 -0.033 0.000 1.083 100 L CA 1.709 56.538 54.840 -0.017 0.000 0.752 100 L CB -0.525 41.529 42.059 -0.008 0.000 0.899 100 L HN 0.512 nan 8.230 nan 0.000 0.433 101 I N -5.307 115.281 120.570 0.030 0.000 3.645 101 I HA 0.020 4.191 4.170 0.001 0.000 0.300 101 I C 1.807 178.026 176.117 0.170 0.000 1.260 101 I CA 0.482 61.843 61.300 0.100 0.000 1.365 101 I CB -0.066 37.980 38.000 0.076 0.000 1.077 101 I HN -0.051 nan 8.210 nan 0.000 0.439 102 T N 0.626 115.242 114.554 0.102 0.000 3.021 102 T HA 0.160 4.511 4.350 0.001 0.000 0.245 102 T C 0.838 175.629 174.700 0.152 0.000 1.028 102 T CA 0.039 62.205 62.100 0.110 0.000 1.139 102 T CB -0.275 68.609 68.868 0.026 0.000 0.884 102 T HN 0.233 nan 8.240 nan 0.000 0.457 103 N N 1.878 120.629 118.700 0.085 0.000 2.416 103 N HA 0.403 5.143 4.740 0.001 0.000 0.246 103 N C -0.051 175.505 175.510 0.078 0.000 1.260 103 N CA -0.023 53.061 53.050 0.057 0.000 0.897 103 N CB 0.357 38.846 38.487 0.004 0.000 1.110 103 N HN 0.392 nan 8.380 nan 0.000 0.439 104 A N 0.538 123.415 122.820 0.095 0.000 2.287 104 A HA 0.359 4.679 4.320 0.001 0.000 0.273 104 A C 0.633 178.183 177.584 -0.056 0.000 1.091 104 A CA -0.379 51.745 52.037 0.145 0.000 0.817 104 A CB 0.262 19.346 19.000 0.141 0.000 1.069 104 A HN 0.555 nan 8.150 nan 0.000 0.492 105 S N -0.333 115.316 115.700 -0.085 0.000 2.617 105 S HA 0.306 4.776 4.470 0.001 0.000 0.269 105 S C 0.448 175.007 174.600 -0.067 0.000 1.292 105 S CA -0.102 57.983 58.200 -0.190 0.000 1.010 105 S CB 0.110 63.175 63.200 -0.225 0.000 0.944 105 S HN 0.845 nan 8.310 nan 0.000 0.536 106 N N 1.479 120.125 118.700 -0.091 0.000 2.351 106 N HA 0.268 5.008 4.740 0.001 0.000 0.254 106 N C -1.449 174.053 175.510 -0.012 0.000 1.241 106 N CA -0.484 52.548 53.050 -0.030 0.000 0.883 106 N CB 0.044 38.514 38.487 -0.029 0.000 1.202 106 N HN 0.297 nan 8.380 nan 0.000 0.512 107 K N 0.459 120.850 120.400 -0.015 0.000 2.413 107 K HA 0.704 5.024 4.320 0.001 0.000 0.257 107 K C -0.655 176.074 176.600 0.214 0.000 0.946 107 K CA -0.539 55.790 56.287 0.070 0.000 0.823 107 K CB 2.262 34.761 32.500 -0.002 0.000 1.109 107 K HN 0.258 nan 8.250 nan 0.000 0.427 108 A N 1.881 124.834 122.820 0.222 0.000 2.351 108 A HA 0.362 4.683 4.320 0.001 0.000 0.257 108 A C -0.096 177.656 177.584 0.281 0.000 1.087 108 A CA -0.317 51.856 52.037 0.227 0.000 0.798 108 A CB 0.336 19.415 19.000 0.132 0.000 1.033 108 A HN 0.685 nan 8.150 nan 0.000 0.488 109 S N 0.253 116.067 115.700 0.190 0.000 2.563 109 S HA 0.341 4.812 4.470 0.001 0.000 0.284 109 S C 1.045 175.580 174.600 -0.110 0.000 1.331 109 S CA 0.195 58.366 58.200 -0.049 0.000 1.047 109 S CB 0.463 63.669 63.200 0.010 0.000 0.859 109 S HN 1.143 nan 8.310 nan 0.000 0.514 110 G N 2.524 111.168 108.800 -0.260 0.000 2.664 110 G HA2 0.345 4.306 3.960 0.001 0.000 0.242 110 G HA3 0.345 4.306 3.960 0.001 0.000 0.242 110 G C -2.522 172.328 174.900 -0.085 0.000 1.225 110 G CA -1.065 43.941 45.100 -0.157 0.000 0.849 110 G HN 0.462 nan 8.290 nan 0.000 0.581 111 P HA 0.115 nan 4.420 nan 0.000 0.269 111 P C 0.668 177.958 177.300 -0.018 0.000 1.209 111 P CA -0.105 62.982 63.100 -0.021 0.000 0.776 111 P CB 0.643 32.335 31.700 -0.014 0.000 0.876 112 I N -0.148 120.422 120.570 0.001 0.000 2.872 112 I HA 0.074 4.245 4.170 0.001 0.000 0.291 112 I C 0.072 176.193 176.117 0.008 0.000 1.216 112 I CA -0.216 61.093 61.300 0.014 0.000 1.424 112 I CB -0.281 37.733 38.000 0.024 0.000 1.351 112 I HN 0.135 nan 8.210 nan 0.000 0.592 113 L N 5.402 126.637 121.223 0.020 0.000 2.371 113 L HA 0.354 4.695 4.340 0.001 0.000 0.272 113 L C 0.309 177.196 176.870 0.028 0.000 1.124 113 L CA -0.550 54.306 54.840 0.025 0.000 0.816 113 L CB 0.444 42.526 42.059 0.037 0.000 1.129 113 L HN 0.599 nan 8.230 nan 0.000 0.448 114 R N 2.770 123.289 120.500 0.031 0.000 2.471 114 R HA 0.343 4.683 4.340 0.001 0.000 0.292 114 R C -2.412 173.989 176.300 0.169 0.000 1.192 114 R CA -2.273 53.846 56.100 0.031 0.000 1.257 114 R CB 0.003 30.233 30.300 -0.116 0.000 1.130 114 R HN 0.290 nan 8.270 nan 0.000 0.558 115 P HA -0.068 nan 4.420 nan 0.000 0.266 115 P C -0.256 177.142 177.300 0.163 0.000 1.193 115 P CA 0.177 63.356 63.100 0.132 0.000 0.770 115 P CB 0.593 32.362 31.700 0.114 0.000 0.836 116 D N 1.771 122.162 120.400 -0.015 0.000 2.488 116 D HA -0.036 4.605 4.640 0.001 0.000 0.238 116 D C 0.778 177.027 176.300 -0.085 0.000 1.138 116 D CA 0.427 54.283 54.000 -0.241 0.000 0.873 116 D CB 0.321 41.009 40.800 -0.188 0.000 1.183 116 D HN 0.251 nan 8.370 nan 0.000 0.458 117 R N 2.975 123.401 120.500 -0.123 0.000 2.538 117 R HA 0.055 4.396 4.340 0.001 0.000 0.282 117 R C -2.135 174.166 176.300 0.003 0.000 1.009 117 R CA -0.978 55.128 56.100 0.011 0.000 1.063 117 R CB 0.135 30.452 30.300 0.028 0.000 0.945 117 R HN 0.132 nan 8.270 nan 0.000 0.414 118 P HA -0.112 nan 4.420 nan 0.000 0.263 118 P C -0.201 177.106 177.300 0.012 0.000 1.175 118 P CA 0.410 63.540 63.100 0.050 0.000 0.761 118 P CB 0.541 32.298 31.700 0.095 0.000 0.794 119 Q N 1.358 121.155 119.800 -0.004 0.000 2.119 119 Q HA -0.101 4.240 4.340 0.001 0.000 0.201 119 Q C 0.167 176.158 176.000 -0.016 0.000 0.972 119 Q CA 1.442 57.234 55.803 -0.018 0.000 0.847 119 Q CB 0.121 28.846 28.738 -0.022 0.000 0.903 119 Q HN 0.472 nan 8.270 nan 0.000 0.433 120 K N -0.249 120.146 120.400 -0.007 0.000 2.443 120 K HA 0.401 4.722 4.320 0.001 0.000 0.251 120 K C -2.729 173.858 176.600 -0.021 0.000 0.972 120 K CA -2.291 53.990 56.287 -0.010 0.000 0.833 120 K CB 1.954 34.459 32.500 0.009 0.000 1.317 120 K HN -0.252 nan 8.250 nan 0.000 0.441 121 P HA 0.039 nan 4.420 nan 0.000 0.267 121 P C -0.616 176.614 177.300 -0.117 0.000 1.200 121 P CA 0.343 63.307 63.100 -0.226 0.000 0.772 121 P CB 0.079 31.582 31.700 -0.330 0.000 0.855 122 F N -0.950 119.046 119.950 0.075 0.000 2.748 122 F HA -0.286 4.242 4.527 0.001 0.000 0.370 122 F C 1.339 177.026 175.800 -0.189 0.000 0.620 122 F CA 0.811 58.740 58.000 -0.118 0.000 1.233 122 F CB -1.994 36.924 39.000 -0.137 0.000 1.708 122 F HN 0.278 nan 8.300 nan 0.000 0.298 123 D N 0.613 121.025 120.400 0.021 0.000 2.097 123 D HA -0.045 4.596 4.640 0.001 0.000 0.195 123 D C 1.022 177.295 176.300 -0.045 0.000 0.989 123 D CA 1.688 55.681 54.000 -0.012 0.000 0.827 123 D CB 0.065 40.870 40.800 0.007 0.000 0.966 123 D HN 0.345 nan 8.370 nan 0.000 0.456 124 K N -0.219 120.183 120.400 0.003 0.000 2.581 124 K HA 0.180 4.500 4.320 0.001 0.000 0.249 124 K C -1.482 175.225 176.600 0.178 0.000 0.966 124 K CA -0.545 55.731 56.287 -0.017 0.000 0.811 124 K CB 1.127 33.602 32.500 -0.042 0.000 1.223 124 K HN -0.272 nan 8.250 nan 0.000 0.438 125 F N 3.361 123.253 119.950 -0.097 0.000 2.399 125 F HA 0.456 4.984 4.527 0.001 0.000 0.334 125 F C -0.073 175.590 175.800 -0.228 0.000 1.097 125 F CA -0.914 57.072 58.000 -0.024 0.000 1.076 125 F CB 0.670 39.682 39.000 0.020 0.000 1.162 125 F HN 0.332 nan 8.300 nan 0.000 0.495 126 F N 4.197 124.257 119.950 0.184 0.000 2.426 126 F HA 0.541 5.068 4.527 0.001 0.000 0.348 126 F C 0.247 176.045 175.800 -0.004 0.000 1.124 126 F CA -0.832 57.210 58.000 0.070 0.000 1.008 126 F CB 1.304 40.308 39.000 0.005 0.000 1.139 126 F HN 0.252 nan 8.300 nan 0.000 0.452 127 I N -0.133 120.466 120.570 0.048 0.000 2.740 127 I HA 0.873 5.044 4.170 0.001 0.000 0.303 127 I C -1.558 174.471 176.117 -0.146 0.000 1.044 127 I CA -0.594 60.639 61.300 -0.112 0.000 1.064 127 I CB 2.379 40.212 38.000 -0.278 0.000 1.249 127 I HN 0.428 nan 8.210 nan 0.000 0.433 128 D N 2.227 122.588 120.400 -0.064 0.000 2.653 128 D HA 0.435 5.075 4.640 0.001 0.000 0.258 128 D C -2.034 174.316 176.300 0.083 0.000 1.252 128 D CA -0.331 53.748 54.000 0.131 0.000 0.777 128 D CB 1.770 42.657 40.800 0.145 0.000 1.339 128 D HN 0.552 nan 8.370 nan 0.000 0.422 129 Y N 0.479 120.952 120.300 0.289 0.000 2.361 129 Y HA 0.595 5.145 4.550 0.001 0.000 0.332 129 Y C 0.183 176.184 175.900 0.169 0.000 1.101 129 Y CA -0.602 57.627 58.100 0.216 0.000 1.137 129 Y CB 1.510 40.068 38.460 0.164 0.000 1.207 129 Y HN 0.205 nan 8.280 nan 0.000 0.463 130 I N 2.286 123.057 120.570 0.335 0.000 2.460 130 I HA 0.741 4.912 4.170 0.001 0.000 0.298 130 I C 0.306 176.542 176.117 0.198 0.000 0.989 130 I CA -0.144 61.263 61.300 0.178 0.000 1.173 130 I CB 1.633 39.653 38.000 0.034 0.000 1.338 130 I HN 0.802 nan 8.210 nan 0.000 0.456 131 G N 5.963 114.783 108.800 0.033 0.000 2.353 131 G HA2 0.058 4.019 3.960 0.001 0.000 0.424 131 G HA3 0.058 4.019 3.960 0.001 0.000 0.424 131 G C -3.203 171.557 174.900 -0.234 0.000 1.320 131 G CA -1.032 43.888 45.100 -0.300 0.000 0.995 131 G HN 0.406 nan 8.290 nan 0.000 0.580 132 P HA 0.575 nan 4.420 nan 0.000 0.275 132 P C -0.182 176.870 177.300 -0.413 0.000 1.227 132 P CA -0.208 62.398 63.100 -0.823 0.000 0.781 132 P CB 1.132 32.550 31.700 -0.471 0.000 0.906 133 L N 3.530 124.529 121.223 -0.373 0.000 2.331 133 L HA 0.517 4.857 4.340 0.001 0.000 0.268 133 L C -2.134 174.743 176.870 0.013 0.000 1.015 133 L CA -2.686 52.002 54.840 -0.252 0.000 0.807 133 L CB 1.073 42.767 42.059 -0.609 0.000 1.293 133 L HN 0.196 nan 8.230 nan 0.000 0.451 134 P HA 0.120 nan 4.420 nan 0.000 0.268 134 P C -2.540 174.979 177.300 0.365 0.000 1.205 134 P CA -0.994 62.226 63.100 0.201 0.000 0.771 134 P CB -0.290 31.522 31.700 0.188 0.000 0.858 135 P HA 0.037 nan 4.420 nan 0.000 0.263 135 P C -0.314 177.043 177.300 0.096 0.000 1.195 135 P CA 0.661 63.862 63.100 0.170 0.000 0.762 135 P CB 0.353 32.097 31.700 0.073 0.000 0.799 136 S N 3.038 118.719 115.700 -0.033 0.000 2.707 136 S HA 0.160 4.631 4.470 0.001 0.000 0.303 136 S C -0.191 174.244 174.600 -0.274 0.000 1.132 136 S CA -0.365 57.647 58.200 -0.314 0.000 1.046 136 S CB 0.114 62.724 63.200 -0.984 0.000 1.004 136 S HN 0.415 nan 8.310 nan 0.000 0.483 137 Q N 2.322 121.981 119.800 -0.235 0.000 2.461 137 Q HA -0.241 4.100 4.340 0.001 0.000 0.264 137 Q C 0.950 176.873 176.000 -0.127 0.000 1.085 137 Q CA 1.473 57.129 55.803 -0.246 0.000 1.006 137 Q CB -2.089 26.280 28.738 -0.614 0.000 1.437 137 Q HN 1.757 nan 8.270 nan 0.000 0.514 138 G N -1.914 106.818 108.800 -0.114 0.000 2.176 138 G HA2 -0.341 3.619 3.960 0.001 0.000 0.253 138 G HA3 -0.341 3.619 3.960 0.001 0.000 0.253 138 G C -0.199 174.560 174.900 -0.235 0.000 0.979 138 G CA 0.328 45.320 45.100 -0.180 0.000 0.641 138 G HN 0.345 nan 8.290 nan 0.000 0.530 139 Y N -0.936 119.348 120.300 -0.026 0.000 2.352 139 Y HA 0.708 5.259 4.550 0.001 0.000 0.326 139 Y C 1.429 177.543 175.900 0.355 0.000 1.166 139 Y CA -0.533 57.663 58.100 0.161 0.000 1.182 139 Y CB 1.447 40.007 38.460 0.167 0.000 1.216 139 Y HN -0.030 nan 8.280 nan 0.000 0.474 140 L N 0.687 122.267 121.223 0.595 0.000 3.076 140 L HA 0.275 4.615 4.340 0.001 0.000 0.271 140 L C -0.974 175.943 176.870 0.079 0.000 1.152 140 L CA -0.060 54.993 54.840 0.355 0.000 0.996 140 L CB 0.563 42.702 42.059 0.135 0.000 1.453 140 L HN 0.557 nan 8.230 nan 0.000 0.571 141 Y N -0.920 119.618 120.300 0.397 0.000 2.633 141 Y HA 0.651 5.202 4.550 0.000 0.000 0.339 141 Y C -0.317 175.806 175.900 0.372 0.000 1.045 141 Y CA -1.127 57.138 58.100 0.275 0.000 1.098 141 Y CB 2.185 40.761 38.460 0.193 0.000 1.296 141 Y HN -0.479 nan 8.280 nan 0.000 0.494 142 V N 2.571 122.762 119.914 0.461 0.000 2.577 142 V HA 0.273 4.393 4.120 0.001 0.000 0.303 142 V C -1.028 175.241 176.094 0.292 0.000 1.042 142 V CA -0.768 61.740 62.300 0.346 0.000 0.872 142 V CB 1.808 33.702 31.823 0.118 0.000 0.998 142 V HN 0.508 nan 8.190 nan 0.000 0.423 143 L N 6.723 128.044 121.223 0.162 0.000 2.367 143 L HA 0.574 4.914 4.340 0.001 0.000 0.275 143 L C -0.380 176.496 176.870 0.010 0.000 1.129 143 L CA 0.589 55.290 54.840 -0.232 0.000 0.839 143 L CB 1.244 43.182 42.059 -0.201 0.000 1.133 143 L HN 0.464 nan 8.230 nan 0.000 0.453 144 V N 5.989 125.870 119.914 -0.054 0.000 2.487 144 V HA 0.508 4.629 4.120 0.001 0.000 0.298 144 V C -0.566 175.542 176.094 0.024 0.000 1.028 144 V CA -0.681 61.631 62.300 0.020 0.000 0.860 144 V CB 1.822 33.647 31.823 0.003 0.000 0.991 144 V HN 0.519 nan 8.190 nan 0.000 0.427 145 V N 5.476 125.444 119.914 0.090 0.000 2.444 145 V HA 0.556 4.676 4.120 0.001 0.000 0.294 145 V C -0.379 175.759 176.094 0.074 0.000 1.022 145 V CA -0.610 61.716 62.300 0.043 0.000 0.850 145 V CB 1.915 33.745 31.823 0.012 0.000 0.992 145 V HN 0.586 nan 8.190 nan 0.000 0.426 146 V N 3.401 123.337 119.914 0.038 0.000 2.444 146 V HA 0.336 4.456 4.120 0.001 0.000 0.294 146 V C -0.311 175.871 176.094 0.147 0.000 1.022 146 V CA -0.627 61.721 62.300 0.079 0.000 0.850 146 V CB 1.929 33.790 31.823 0.063 0.000 0.992 146 V HN 0.994 nan 8.190 nan 0.000 0.426 147 D N 3.795 124.298 120.400 0.173 0.000 2.383 147 D HA 0.321 4.961 4.640 0.001 0.000 0.252 147 D C 1.358 177.816 176.300 0.263 0.000 1.166 147 D CA 0.788 54.971 54.000 0.304 0.000 0.879 147 D CB 1.836 42.791 40.800 0.259 0.000 1.164 147 D HN 0.562 nan 8.370 nan 0.000 0.462 148 G N 3.733 112.754 108.800 0.368 0.000 2.421 148 G HA2 -0.283 3.678 3.960 0.001 0.000 0.216 148 G HA3 -0.283 3.678 3.960 0.001 0.000 0.216 148 G C 1.328 176.322 174.900 0.156 0.000 1.171 148 G CA 0.466 45.768 45.100 0.338 0.000 0.775 148 G HN 0.560 nan 8.290 nan 0.000 0.543 149 M N 1.589 121.254 119.600 0.109 0.000 2.099 149 M HA -0.078 4.402 4.480 0.001 0.000 0.262 149 M C 2.610 178.921 176.300 0.017 0.000 1.067 149 M CA 2.396 57.722 55.300 0.042 0.000 1.124 149 M CB -0.766 31.834 32.600 -0.000 0.000 1.353 149 M HN 0.411 nan 8.290 nan 0.000 0.410 150 T N -3.900 110.656 114.554 0.003 0.000 3.040 150 T HA 0.309 4.660 4.350 0.001 0.000 0.252 150 T C 1.493 176.203 174.700 0.017 0.000 1.064 150 T CA 1.014 63.106 62.100 -0.013 0.000 1.110 150 T CB 0.057 68.884 68.868 -0.067 0.000 0.921 150 T HN 0.594 nan 8.240 nan 0.000 0.480 151 G N 1.003 109.819 108.800 0.027 0.000 2.176 151 G HA2 -0.243 3.717 3.960 0.001 0.000 0.253 151 G HA3 -0.243 3.717 3.960 0.001 0.000 0.253 151 G C -0.065 174.805 174.900 -0.049 0.000 0.979 151 G CA -0.035 45.060 45.100 -0.009 0.000 0.641 151 G HN 0.643 nan 8.290 nan 0.000 0.530 152 F N 2.645 122.483 119.950 -0.186 0.000 2.572 152 F HA 0.485 5.012 4.527 0.001 0.000 0.370 152 F C 0.738 176.288 175.800 -0.417 0.000 1.103 152 F CA 1.310 59.100 58.000 -0.350 0.000 1.286 152 F CB 0.836 39.552 39.000 -0.474 0.000 1.105 152 F HN 0.032 nan 8.300 nan 0.000 0.583 153 T N 5.853 119.925 114.554 -0.803 0.000 2.861 153 T HA 0.286 4.636 4.350 0.001 0.000 0.287 153 T C -1.133 173.235 174.700 -0.553 0.000 1.003 153 T CA -0.507 61.328 62.100 -0.441 0.000 0.977 153 T CB 1.019 69.695 68.868 -0.320 0.000 0.996 153 T HN 0.460 nan 8.240 nan 0.000 0.448 154 W N 3.103 124.326 121.300 -0.128 0.000 2.632 154 W HA 0.595 5.255 4.660 0.001 0.000 0.328 154 W C -1.035 175.349 176.519 -0.224 0.000 1.044 154 W CA -0.874 56.382 57.345 -0.149 0.000 1.225 154 W CB 1.436 30.905 29.460 0.016 0.000 1.396 154 W HN 0.307 nan 8.180 nan 0.000 0.499 155 L N 3.588 124.684 121.223 -0.212 0.000 2.341 155 L HA 0.480 4.820 4.340 0.001 0.000 0.278 155 L C -1.292 175.325 176.870 -0.421 0.000 1.005 155 L CA -1.012 53.713 54.840 -0.192 0.000 0.818 155 L CB 1.255 43.233 42.059 -0.135 0.000 1.259 155 L HN 0.286 nan 8.230 nan 0.000 0.418 156 Y N 3.038 123.394 120.300 0.093 0.000 2.361 156 Y HA 0.393 4.943 4.550 0.001 0.000 0.337 156 Y C -2.260 173.745 175.900 0.175 0.000 0.965 156 Y CA -2.645 55.518 58.100 0.105 0.000 1.091 156 Y CB 1.789 40.316 38.460 0.113 0.000 1.182 156 Y HN 0.376 nan 8.280 nan 0.000 0.450 157 P HA 0.136 nan 4.420 nan 0.000 0.276 157 P C -0.284 177.342 177.300 0.543 0.000 1.235 157 P CA -0.040 63.280 63.100 0.366 0.000 0.772 157 P CB 1.413 33.081 31.700 -0.054 0.000 0.871 158 T N -0.697 114.299 114.554 0.736 0.000 2.907 158 T HA 0.437 4.787 4.350 0.001 0.000 0.290 158 T C 0.763 175.836 174.700 0.622 0.000 1.066 158 T CA -0.779 61.732 62.100 0.684 0.000 1.012 158 T CB 1.838 70.990 68.868 0.474 0.000 1.184 158 T HN 0.183 nan 8.240 nan 0.000 0.522 159 K N -0.133 120.436 120.400 0.281 0.000 2.356 159 K HA 0.550 4.870 4.320 0.001 0.000 0.195 159 K C 0.584 177.273 176.600 0.149 0.000 1.037 159 K CA 0.217 56.579 56.287 0.125 0.000 1.014 159 K CB 0.533 32.979 32.500 -0.089 0.000 0.815 159 K HN 0.756 nan 8.250 nan 0.000 0.507 160 A N 1.381 124.198 122.820 -0.005 0.000 2.606 160 A HA 0.395 4.715 4.320 0.001 0.000 0.293 160 A C -2.759 174.375 177.584 -0.750 0.000 1.082 160 A CA -1.298 50.519 52.037 -0.367 0.000 0.685 160 A CB 1.163 20.009 19.000 -0.256 0.000 1.284 160 A HN -0.163 nan 8.150 nan 0.000 0.408 161 P HA 0.156 nan 4.420 nan 0.000 0.220 161 P C -0.127 176.633 177.300 -0.901 0.000 1.806 161 P CA 0.248 62.350 63.100 -1.663 0.000 0.976 161 P CB -0.422 30.334 31.700 -1.574 0.000 1.952 162 S N -0.867 114.519 115.700 -0.524 0.000 2.654 162 S HA 0.321 4.791 4.470 0.001 0.000 0.283 162 S C 1.387 175.871 174.600 -0.193 0.000 1.180 162 S CA -0.363 57.658 58.200 -0.299 0.000 1.021 162 S CB 0.694 63.777 63.200 -0.193 0.000 1.018 162 S HN 0.045 nan 8.310 nan 0.000 0.532 163 T N 2.187 116.639 114.554 -0.169 0.000 2.720 163 T HA -0.169 4.181 4.350 0.001 0.000 0.268 163 T C 2.263 176.933 174.700 -0.051 0.000 1.037 163 T CA 2.117 64.153 62.100 -0.106 0.000 1.144 163 T CB -0.785 68.069 68.868 -0.023 0.000 0.864 163 T HN 0.904 nan 8.240 nan 0.000 0.444 164 S N 1.872 117.548 115.700 -0.039 0.000 2.382 164 S HA -0.026 4.444 4.470 0.001 0.000 0.228 164 S C 2.359 176.949 174.600 -0.016 0.000 1.027 164 S CA 1.093 59.283 58.200 -0.017 0.000 0.991 164 S CB -0.543 62.652 63.200 -0.009 0.000 0.823 164 S HN 0.505 nan 8.310 nan 0.000 0.469 165 A N 1.124 123.940 122.820 -0.006 0.000 2.016 165 A HA 0.112 4.433 4.320 0.001 0.000 0.217 165 A C 2.334 179.940 177.584 0.036 0.000 1.162 165 A CA 1.552 53.617 52.037 0.047 0.000 0.662 165 A CB -1.260 17.798 19.000 0.097 0.000 0.812 165 A HN 0.581 nan 8.150 nan 0.000 0.450 166 T N -0.416 114.145 114.554 0.013 0.000 2.737 166 T HA -0.094 4.256 4.350 0.001 0.000 0.265 166 T C 1.894 176.470 174.700 -0.206 0.000 1.038 166 T CA 1.531 63.598 62.100 -0.054 0.000 1.144 166 T CB -0.342 68.472 68.868 -0.091 0.000 0.866 166 T HN 0.130 nan 8.240 nan 0.000 0.434 167 V N 1.598 121.374 119.914 -0.230 0.000 2.261 167 V HA -0.192 3.929 4.120 0.001 0.000 0.246 167 V C 2.508 178.462 176.094 -0.233 0.000 1.047 167 V CA 1.616 63.657 62.300 -0.431 0.000 1.015 167 V CB -0.487 31.155 31.823 -0.300 0.000 0.642 167 V HN 0.460 nan 8.190 nan 0.000 0.446 168 K N -0.056 120.283 120.400 -0.101 0.000 2.059 168 K HA -0.210 4.111 4.320 0.001 0.000 0.212 168 K C 2.392 178.923 176.600 -0.115 0.000 1.050 168 K CA 2.003 58.264 56.287 -0.043 0.000 0.927 168 K CB -0.395 32.112 32.500 0.011 0.000 0.714 168 K HN 0.384 nan 8.250 nan 0.000 0.447 169 S N 1.175 116.736 115.700 -0.231 0.000 2.368 169 S HA -0.034 4.437 4.470 0.001 0.000 0.224 169 S C 1.908 176.168 174.600 -0.567 0.000 1.029 169 S CA 0.919 58.774 58.200 -0.575 0.000 0.988 169 S CB -0.103 62.643 63.200 -0.756 0.000 0.838 169 S HN 0.200 nan 8.310 nan 0.000 0.462 170 L N 1.557 122.580 121.223 -0.333 0.000 2.217 170 L HA -0.031 4.309 4.340 0.001 0.000 0.211 170 L C 2.003 178.942 176.870 0.114 0.000 1.107 170 L CA 0.506 55.270 54.840 -0.126 0.000 0.783 170 L CB -0.600 41.362 42.059 -0.162 0.000 0.919 170 L HN 0.242 nan 8.230 nan 0.000 0.442 171 N N 0.075 118.847 118.700 0.120 0.000 2.104 171 N HA -0.157 4.584 4.740 0.001 0.000 0.190 171 N C 1.897 177.466 175.510 0.099 0.000 1.024 171 N CA 1.207 54.372 53.050 0.192 0.000 0.853 171 N CB -0.434 38.161 38.487 0.180 0.000 1.008 171 N HN 0.093 nan 8.380 nan 0.000 0.424 172 V N 1.283 121.220 119.914 0.038 0.000 2.343 172 V HA -0.162 3.958 4.120 0.001 0.000 0.247 172 V C 2.320 178.470 176.094 0.095 0.000 1.051 172 V CA 1.038 63.388 62.300 0.083 0.000 1.036 172 V CB -0.498 31.406 31.823 0.135 0.000 0.654 172 V HN 0.206 nan 8.190 nan 0.000 0.451 173 L N 1.142 122.386 121.223 0.035 0.000 2.027 173 L HA -0.118 4.222 4.340 0.001 0.000 0.206 173 L C 2.587 179.443 176.870 -0.024 0.000 1.074 173 L CA 2.788 57.609 54.840 -0.030 0.000 0.745 173 L CB -1.168 40.795 42.059 -0.160 0.000 0.898 173 L HN 0.563 nan 8.230 nan 0.000 0.433 174 T N -4.192 110.388 114.554 0.043 0.000 3.163 174 T HA -0.023 4.327 4.350 0.001 0.000 0.260 174 T C 1.871 176.561 174.700 -0.017 0.000 1.156 174 T CA 0.884 62.996 62.100 0.020 0.000 1.072 174 T CB -0.629 68.279 68.868 0.067 0.000 0.937 174 T HN 0.302 nan 8.240 nan 0.000 0.528 175 S N 1.494 117.206 115.700 0.020 0.000 2.387 175 S HA -0.072 4.399 4.470 0.001 0.000 0.230 175 S C 1.761 176.359 174.600 -0.005 0.000 1.035 175 S CA 1.110 59.321 58.200 0.018 0.000 1.014 175 S CB -0.335 62.900 63.200 0.057 0.000 0.836 175 S HN 0.432 nan 8.310 nan 0.000 0.466 176 I N 0.513 121.082 120.570 -0.002 0.000 2.235 176 I HA 0.248 4.418 4.170 0.001 0.000 0.241 176 I C 1.063 177.073 176.117 -0.179 0.000 1.085 176 I CA 0.342 61.638 61.300 -0.006 0.000 1.378 176 I CB -1.422 36.656 38.000 0.131 0.000 1.076 176 I HN 0.233 nan 8.210 nan 0.000 0.415 177 A N 0.022 122.656 122.820 -0.309 0.000 2.601 177 A HA 0.642 4.963 4.320 0.001 0.000 0.291 177 A C -1.170 176.163 177.584 -0.418 0.000 1.075 177 A CA -0.494 51.199 52.037 -0.573 0.000 0.671 177 A CB 1.222 19.357 19.000 -1.442 0.000 1.277 177 A HN -0.034 nan 8.150 nan 0.000 0.417 178 I N 2.205 122.543 120.570 -0.388 0.000 2.377 178 I HA 0.444 4.614 4.170 0.001 0.000 0.293 178 I C -2.223 173.704 176.117 -0.318 0.000 0.987 178 I CA -1.737 59.389 61.300 -0.290 0.000 1.185 178 I CB 1.671 39.526 38.000 -0.242 0.000 1.341 178 I HN 0.479 nan 8.210 nan 0.000 0.455 179 P HA 0.380 nan 4.420 nan 0.000 0.287 179 P C 0.061 177.197 177.300 -0.274 0.000 1.270 179 P CA -0.654 62.181 63.100 -0.442 0.000 0.844 179 P CB 1.786 32.886 31.700 -1.000 0.000 1.068 180 K N 0.107 120.394 120.400 -0.189 0.000 2.002 180 K HA 0.040 4.361 4.320 0.001 0.000 0.209 180 K C 0.409 176.942 176.600 -0.111 0.000 1.048 180 K CA 1.223 57.434 56.287 -0.127 0.000 0.930 180 K CB -0.120 32.331 32.500 -0.083 0.000 0.714 180 K HN 0.258 nan 8.250 nan 0.000 0.438 181 V N 1.531 121.368 119.914 -0.129 0.000 2.656 181 V HA 0.325 4.445 4.120 0.001 0.000 0.307 181 V C -0.671 175.329 176.094 -0.157 0.000 1.051 181 V CA -0.732 61.506 62.300 -0.103 0.000 0.893 181 V CB 2.060 33.852 31.823 -0.052 0.000 0.999 181 V HN 0.101 nan 8.190 nan 0.000 0.426 182 I N 3.550 124.024 120.570 -0.160 0.000 2.354 182 I HA 0.368 4.538 4.170 0.001 0.000 0.286 182 I C -0.321 175.642 176.117 -0.256 0.000 1.007 182 I CA -0.428 60.800 61.300 -0.121 0.000 1.167 182 I CB 1.091 39.092 38.000 0.002 0.000 1.320 182 I HN 0.711 nan 8.210 nan 0.000 0.458 183 H N 5.784 124.599 119.070 -0.425 0.000 2.562 183 H HA 0.475 5.031 4.556 0.001 0.000 0.314 183 H C -0.174 174.965 175.328 -0.316 0.000 1.079 183 H CA -0.174 55.602 56.048 -0.454 0.000 1.349 183 H CB 0.889 30.236 29.762 -0.691 0.000 1.432 183 H HN 0.647 nan 8.280 nan 0.000 0.479 184 S N 2.855 118.366 115.700 -0.316 0.000 2.661 184 S HA 0.325 4.795 4.470 0.001 0.000 0.285 184 S C -0.697 173.979 174.600 0.126 0.000 1.138 184 S CA -0.942 57.190 58.200 -0.114 0.000 0.855 184 S CB 1.742 64.630 63.200 -0.519 0.000 1.136 184 S HN 0.774 nan 8.310 nan 0.000 0.484 185 D N 0.087 120.668 120.400 0.302 0.000 2.440 185 D HA 0.188 4.828 4.640 0.001 0.000 0.269 185 D C 0.247 176.796 176.300 0.415 0.000 1.249 185 D CA -0.416 53.789 54.000 0.341 0.000 1.055 185 D CB -0.031 40.944 40.800 0.291 0.000 1.104 185 D HN 0.648 nan 8.370 nan 0.000 0.561 186 Q N -0.770 119.162 119.800 0.220 0.000 2.225 186 Q HA 0.254 4.595 4.340 0.001 0.000 0.222 186 Q C 0.513 176.536 176.000 0.038 0.000 0.887 186 Q CA -0.394 55.464 55.803 0.093 0.000 0.958 186 Q CB 0.418 29.098 28.738 -0.096 0.000 1.058 186 Q HN 0.557 nan 8.270 nan 0.000 0.459 187 G N 0.296 109.164 108.800 0.114 0.000 2.464 187 G HA2 0.062 4.023 3.960 0.001 0.000 0.231 187 G HA3 0.062 4.023 3.960 0.001 0.000 0.231 187 G C 1.010 175.771 174.900 -0.232 0.000 1.267 187 G CA 0.274 45.314 45.100 -0.101 0.000 0.863 187 G HN 0.361 nan 8.290 nan 0.000 0.559 188 A N 2.498 125.167 122.820 -0.252 0.000 1.892 188 A HA -0.012 4.309 4.320 0.001 0.000 0.218 188 A C 2.861 180.274 177.584 -0.285 0.000 1.188 188 A CA 2.880 54.784 52.037 -0.222 0.000 0.631 188 A CB -0.938 17.940 19.000 -0.205 0.000 0.822 188 A HN 1.629 nan 8.150 nan 0.000 0.447 189 A N -1.406 121.110 122.820 -0.507 0.000 1.986 189 A HA -0.036 4.284 4.320 0.001 0.000 0.220 189 A C 1.724 179.009 177.584 -0.498 0.000 1.171 189 A CA 1.814 53.507 52.037 -0.574 0.000 0.640 189 A CB -0.672 17.855 19.000 -0.787 0.000 0.811 189 A HN 0.542 nan 8.150 nan 0.000 0.451 190 F N -0.439 119.410 119.950 -0.168 0.000 2.746 190 F HA 0.110 4.637 4.527 0.001 0.000 0.297 190 F C 2.242 178.234 175.800 0.319 0.000 1.113 190 F CA 1.034 58.947 58.000 -0.146 0.000 1.367 190 F CB -0.654 38.364 39.000 0.030 0.000 1.111 190 F HN 0.273 nan 8.300 nan 0.000 0.590 191 T N -3.217 111.484 114.554 0.245 0.000 3.054 191 T HA 0.153 4.504 4.350 0.001 0.000 0.255 191 T C 0.851 175.599 174.700 0.080 0.000 1.035 191 T CA 0.137 62.286 62.100 0.081 0.000 0.941 191 T CB -0.630 68.137 68.868 -0.168 0.000 1.026 191 T HN 0.090 nan 8.240 nan 0.000 0.533 192 S N 1.796 117.570 115.700 0.122 0.000 2.584 192 S HA 0.250 4.721 4.470 0.001 0.000 0.270 192 S C 1.575 176.273 174.600 0.163 0.000 1.346 192 S CA -0.042 58.218 58.200 0.100 0.000 1.018 192 S CB 1.220 64.466 63.200 0.077 0.000 0.899 192 S HN 0.450 nan 8.310 nan 0.000 0.542 193 S N 1.334 117.099 115.700 0.109 0.000 2.428 193 S HA -0.091 4.379 4.470 0.001 0.000 0.230 193 S C 1.699 176.381 174.600 0.138 0.000 1.014 193 S CA 1.002 59.268 58.200 0.110 0.000 0.957 193 S CB -1.391 61.849 63.200 0.066 0.000 0.784 193 S HN 0.796 nan 8.310 nan 0.000 0.499 194 T N 1.947 116.587 114.554 0.143 0.000 2.665 194 T HA -0.065 4.285 4.350 0.001 0.000 0.268 194 T C 1.251 176.107 174.700 0.260 0.000 1.035 194 T CA 1.629 63.830 62.100 0.168 0.000 1.151 194 T CB -0.584 68.369 68.868 0.141 0.000 0.862 194 T HN 0.464 nan 8.240 nan 0.000 0.438 195 F N 1.869 121.903 119.950 0.138 0.000 2.234 195 F HA 0.132 4.659 4.527 0.000 0.000 0.299 195 F C 2.375 178.338 175.800 0.271 0.000 1.087 195 F CA 0.512 58.629 58.000 0.195 0.000 1.340 195 F CB -0.639 38.466 39.000 0.174 0.000 1.031 195 F HN 0.134 nan 8.300 nan 0.000 0.500 196 A N -0.116 122.833 122.820 0.216 0.000 1.902 196 A HA -0.197 4.124 4.320 0.001 0.000 0.217 196 A C 2.153 179.758 177.584 0.034 0.000 1.181 196 A CA 1.868 53.968 52.037 0.105 0.000 0.623 196 A CB -0.818 18.269 19.000 0.146 0.000 0.818 196 A HN 0.493 nan 8.150 nan 0.000 0.443 197 E N -1.568 118.677 120.200 0.075 0.000 2.031 197 E HA -0.240 4.111 4.350 0.001 0.000 0.193 197 E C 1.725 178.337 176.600 0.020 0.000 0.994 197 E CA 1.352 57.779 56.400 0.044 0.000 0.800 197 E CB -0.298 29.445 29.700 0.072 0.000 0.752 197 E HN 0.822 nan 8.360 nan 0.000 0.447 198 W N 1.317 122.550 121.300 -0.112 0.000 2.305 198 W HA -0.313 4.347 4.660 0.001 0.000 0.308 198 W C 2.181 178.565 176.519 -0.225 0.000 1.226 198 W CA 2.392 59.649 57.345 -0.146 0.000 1.253 198 W CB -0.226 29.157 29.460 -0.128 0.000 1.146 198 W HN 0.065 nan 8.180 nan 0.000 0.507 199 A N -0.058 122.647 122.820 -0.191 0.000 1.898 199 A HA -0.124 4.196 4.320 0.001 0.000 0.214 199 A C 2.014 179.394 177.584 -0.340 0.000 1.183 199 A CA 1.653 53.456 52.037 -0.390 0.000 0.622 199 A CB -0.848 17.995 19.000 -0.262 0.000 0.824 199 A HN 0.350 nan 8.150 nan 0.000 0.444 200 K N -0.025 120.252 120.400 -0.206 0.000 2.026 200 K HA -0.186 4.135 4.320 0.001 0.000 0.208 200 K C 1.834 178.319 176.600 -0.191 0.000 1.048 200 K CA 1.625 57.821 56.287 -0.151 0.000 0.929 200 K CB -0.206 32.246 32.500 -0.080 0.000 0.713 200 K HN 0.583 nan 8.250 nan 0.000 0.439 201 E N -0.201 119.865 120.200 -0.223 0.000 2.233 201 E HA -0.227 4.124 4.350 0.001 0.000 0.199 201 E C 1.520 177.939 176.600 -0.303 0.000 1.004 201 E CA 1.306 57.561 56.400 -0.242 0.000 0.819 201 E CB 0.049 29.590 29.700 -0.266 0.000 0.738 201 E HN 0.268 nan 8.360 nan 0.000 0.478 202 R N -1.347 118.905 120.500 -0.412 0.000 2.437 202 R HA 0.152 4.493 4.340 0.001 0.000 0.257 202 R C 0.866 176.990 176.300 -0.294 0.000 0.927 202 R CA 0.422 56.281 56.100 -0.402 0.000 1.078 202 R CB 1.143 31.079 30.300 -0.608 0.000 1.161 202 R HN 0.160 nan 8.270 nan 0.000 0.529 203 G N 1.862 110.519 108.800 -0.237 0.000 2.176 203 G HA2 -0.275 3.685 3.960 0.001 0.000 0.252 203 G HA3 -0.275 3.685 3.960 0.001 0.000 0.252 203 G C 0.067 174.870 174.900 -0.162 0.000 1.024 203 G CA -0.033 44.967 45.100 -0.168 0.000 0.755 203 G HN 0.255 nan 8.290 nan 0.000 0.507 204 I N 0.630 121.076 120.570 -0.207 0.000 2.342 204 I HA 0.274 4.445 4.170 0.001 0.000 0.291 204 I C 0.690 176.744 176.117 -0.105 0.000 1.010 204 I CA -1.039 60.154 61.300 -0.178 0.000 1.308 204 I CB 0.991 38.842 38.000 -0.249 0.000 1.400 204 I HN 0.225 nan 8.210 nan 0.000 0.488 205 H N 7.111 126.088 119.070 -0.155 0.000 2.742 205 H HA 0.378 4.934 4.556 0.001 0.000 0.302 205 H C -0.845 174.384 175.328 -0.165 0.000 1.069 205 H CA -0.145 55.823 56.048 -0.134 0.000 1.446 205 H CB 0.663 30.359 29.762 -0.111 0.000 1.462 205 H HN 0.436 nan 8.280 nan 0.000 0.499 206 L N 5.097 125.912 121.223 -0.681 0.000 2.290 206 L HA 0.262 4.603 4.340 0.001 0.000 0.284 206 L C 0.351 176.625 176.870 -0.994 0.000 1.078 206 L CA -0.090 54.323 54.840 -0.711 0.000 0.815 206 L CB 0.840 42.599 42.059 -0.500 0.000 1.162 206 L HN 0.683 nan 8.230 nan 0.000 0.435 207 E N 3.182 122.855 120.200 -0.879 0.000 2.210 207 E HA 0.472 4.822 4.350 0.001 0.000 0.266 207 E C -1.609 174.418 176.600 -0.956 0.000 0.883 207 E CA -0.660 55.337 56.400 -0.671 0.000 0.761 207 E CB 1.393 30.884 29.700 -0.349 0.000 1.156 207 E HN 0.261 nan 8.360 nan 0.000 0.412 208 F N 1.471 121.214 119.950 -0.345 0.000 2.469 208 F HA 0.332 4.859 4.527 0.001 0.000 0.332 208 F C 0.684 176.333 175.800 -0.252 0.000 1.103 208 F CA -0.693 57.120 58.000 -0.312 0.000 0.979 208 F CB 1.976 40.910 39.000 -0.110 0.000 1.137 208 F HN 0.265 nan 8.300 nan 0.000 0.463 209 S N 0.747 116.479 115.700 0.052 0.000 2.573 209 S HA 0.151 4.621 4.470 0.001 0.000 0.277 209 S C 0.155 174.881 174.600 0.210 0.000 1.346 209 S CA -0.663 57.708 58.200 0.285 0.000 1.034 209 S CB 0.278 63.716 63.200 0.396 0.000 0.879 209 S HN 0.723 nan 8.310 nan 0.000 0.528 210 T N 1.816 116.489 114.554 0.198 0.000 2.906 210 T HA 0.209 4.559 4.350 0.001 0.000 0.320 210 T C -2.535 172.238 174.700 0.122 0.000 1.088 210 T CA -1.257 60.921 62.100 0.130 0.000 1.120 210 T CB -0.401 68.516 68.868 0.082 0.000 1.000 210 T HN 0.324 nan 8.240 nan 0.000 0.550 211 P HA 0.123 nan 4.420 nan 0.000 0.275 211 P C -0.531 176.794 177.300 0.041 0.000 1.228 211 P CA -0.342 62.688 63.100 -0.117 0.000 0.786 211 P CB -0.181 31.414 31.700 -0.176 0.000 0.927 212 Y N -1.074 119.317 120.300 0.152 0.000 3.168 212 Y HA -0.234 4.316 4.550 0.001 0.000 0.207 212 Y C 0.556 176.585 175.900 0.214 0.000 1.280 212 Y CA 1.009 59.195 58.100 0.143 0.000 1.235 212 Y CB -2.951 35.570 38.460 0.100 0.000 1.370 212 Y HN 0.601 nan 8.280 nan 0.000 0.537 213 H N -0.567 118.605 119.070 0.171 0.000 2.643 213 H HA 0.203 4.760 4.556 0.001 0.000 0.229 213 H C -2.303 173.105 175.328 0.134 0.000 1.410 213 H CA -1.632 54.506 56.048 0.149 0.000 1.458 213 H CB 1.359 31.209 29.762 0.147 0.000 1.792 213 H HN -0.015 nan 8.280 nan 0.000 0.563 214 P HA -0.137 nan 4.420 nan 0.000 0.221 214 P C 1.339 178.591 177.300 -0.080 0.000 1.145 214 P CA 0.938 64.039 63.100 0.001 0.000 0.795 214 P CB 0.402 32.111 31.700 0.015 0.000 0.775 215 Q N -0.685 118.948 119.800 -0.277 0.000 2.197 215 Q HA -0.146 4.194 4.340 0.001 0.000 0.207 215 Q C 2.245 178.205 176.000 -0.067 0.000 0.984 215 Q CA 1.904 57.572 55.803 -0.224 0.000 0.869 215 Q CB -1.096 27.428 28.738 -0.357 0.000 0.906 215 Q HN 0.218 nan 8.270 nan 0.000 0.426 216 S N -0.217 115.520 115.700 0.061 0.000 2.402 216 S HA -0.056 4.414 4.470 0.001 0.000 0.229 216 S C 1.411 176.067 174.600 0.093 0.000 1.021 216 S CA 0.980 59.301 58.200 0.201 0.000 0.974 216 S CB -0.042 63.400 63.200 0.403 0.000 0.800 216 S HN 0.248 nan 8.310 nan 0.000 0.484 217 S N 1.165 116.936 115.700 0.117 0.000 2.763 217 S HA 0.211 4.681 4.470 0.001 0.000 0.237 217 S C 1.795 176.345 174.600 -0.084 0.000 0.966 217 S CA 0.057 58.305 58.200 0.079 0.000 1.017 217 S CB -0.094 63.231 63.200 0.208 0.000 0.780 217 S HN 0.602 nan 8.310 nan 0.000 0.476 218 G N 2.750 111.463 108.800 -0.144 0.000 2.545 218 G HA2 -0.290 3.671 3.960 0.001 0.000 0.222 218 G HA3 -0.290 3.671 3.960 0.001 0.000 0.222 218 G C 1.626 176.378 174.900 -0.247 0.000 1.126 218 G CA 0.832 45.831 45.100 -0.170 0.000 0.754 218 G HN 0.368 nan 8.290 nan 0.000 0.583 219 K N -0.187 119.924 120.400 -0.481 0.000 2.009 219 K HA -0.052 4.269 4.320 0.001 0.000 0.210 219 K C 2.613 179.042 176.600 -0.283 0.000 1.049 219 K CA 1.462 57.434 56.287 -0.525 0.000 0.929 219 K CB -0.779 31.060 32.500 -1.101 0.000 0.714 219 K HN 0.282 nan 8.250 nan 0.000 0.440 220 V N 1.495 121.293 119.914 -0.195 0.000 2.407 220 V HA -0.145 3.976 4.120 0.001 0.000 0.245 220 V C 1.973 178.043 176.094 -0.039 0.000 1.041 220 V CA 1.523 63.798 62.300 -0.042 0.000 1.040 220 V CB -0.111 31.756 31.823 0.072 0.000 0.671 220 V HN 0.249 nan 8.190 nan 0.000 0.455 221 E N 0.544 120.723 120.200 -0.036 0.000 2.086 221 E HA -0.297 4.053 4.350 0.001 0.000 0.200 221 E C 2.324 178.897 176.600 -0.045 0.000 1.012 221 E CA 1.859 58.245 56.400 -0.023 0.000 0.812 221 E CB -0.509 29.177 29.700 -0.024 0.000 0.743 221 E HN 0.493 nan 8.360 nan 0.000 0.453 222 R N 1.351 121.807 120.500 -0.072 0.000 2.148 222 R HA -0.103 4.238 4.340 0.001 0.000 0.227 222 R C 1.966 178.226 176.300 -0.066 0.000 1.103 222 R CA 1.469 57.527 56.100 -0.070 0.000 0.983 222 R CB -0.148 30.102 30.300 -0.083 0.000 0.874 222 R HN -0.082 nan 8.270 nan 0.000 0.451 223 K N 0.203 120.561 120.400 -0.070 0.000 2.116 223 K HA 0.044 4.364 4.320 0.001 0.000 0.203 223 K C 1.438 178.001 176.600 -0.062 0.000 1.052 223 K CA 1.355 57.599 56.287 -0.071 0.000 0.952 223 K CB -0.179 32.275 32.500 -0.077 0.000 0.729 223 K HN 0.170 nan 8.250 nan 0.000 0.446 224 N N 0.309 118.982 118.700 -0.045 0.000 2.091 224 N HA -0.207 4.534 4.740 0.001 0.000 0.193 224 N C 1.738 177.219 175.510 -0.048 0.000 1.021 224 N CA 1.548 54.575 53.050 -0.039 0.000 0.862 224 N CB -0.843 37.635 38.487 -0.016 0.000 1.018 224 N HN 0.176 nan 8.380 nan 0.000 0.429 225 S N 0.749 116.421 115.700 -0.046 0.000 2.351 225 S HA -0.148 4.322 4.470 0.001 0.000 0.220 225 S C 1.248 175.817 174.600 -0.053 0.000 1.035 225 S CA 1.428 59.600 58.200 -0.047 0.000 1.031 225 S CB -0.303 62.871 63.200 -0.043 0.000 0.928 225 S HN 0.246 nan 8.310 nan 0.000 0.433 226 D N 0.857 121.223 120.400 -0.058 0.000 2.178 226 D HA -0.043 4.597 4.640 0.001 0.000 0.201 226 D C 1.894 178.155 176.300 -0.065 0.000 0.980 226 D CA 0.912 54.875 54.000 -0.061 0.000 0.842 226 D CB -0.362 40.397 40.800 -0.069 0.000 0.948 226 D HN 0.454 nan 8.370 nan 0.000 0.472 227 I N 0.860 121.388 120.570 -0.071 0.000 2.179 227 I HA -0.244 3.926 4.170 0.001 0.000 0.242 227 I C 2.372 178.447 176.117 -0.071 0.000 1.088 227 I CA 1.167 62.422 61.300 -0.075 0.000 1.357 227 I CB -0.067 37.886 38.000 -0.077 0.000 1.051 227 I HN -0.108 nan 8.210 nan 0.000 0.409 228 K N 0.209 120.564 120.400 -0.074 0.000 2.097 228 K HA -0.184 4.137 4.320 0.001 0.000 0.205 228 K C 2.278 178.843 176.600 -0.058 0.000 1.050 228 K CA 1.091 57.330 56.287 -0.079 0.000 0.938 228 K CB -0.161 32.290 32.500 -0.081 0.000 0.718 228 K HN 0.187 nan 8.250 nan 0.000 0.442 229 R N 0.929 121.398 120.500 -0.051 0.000 2.081 229 R HA -0.137 4.203 4.340 0.001 0.000 0.235 229 R C 2.241 178.519 176.300 -0.036 0.000 1.131 229 R CA 1.073 57.148 56.100 -0.041 0.000 0.960 229 R CB -0.194 30.081 30.300 -0.041 0.000 0.856 229 R HN 0.073 nan 8.270 nan 0.000 0.436 230 L N 0.851 122.050 121.223 -0.041 0.000 2.056 230 L HA -0.053 4.288 4.340 0.001 0.000 0.207 230 L C 1.956 178.814 176.870 -0.021 0.000 1.078 230 L CA 1.520 56.340 54.840 -0.034 0.000 0.749 230 L CB -0.360 41.672 42.059 -0.044 0.000 0.901 230 L HN 0.247 nan 8.230 nan 0.000 0.433 231 L N -1.226 119.984 121.223 -0.021 0.000 2.046 231 L HA -0.235 4.106 4.340 0.001 0.000 0.208 231 L C 2.343 179.218 176.870 0.009 0.000 1.077 231 L CA 1.789 56.631 54.840 0.004 0.000 0.747 231 L CB -0.964 41.091 42.059 -0.006 0.000 0.896 231 L HN 0.275 nan 8.230 nan 0.000 0.432 232 T N -0.320 114.227 114.554 -0.010 0.000 2.652 232 T HA -0.216 4.134 4.350 0.001 0.000 0.267 232 T C 1.867 176.567 174.700 0.000 0.000 1.039 232 T CA 1.435 63.532 62.100 -0.006 0.000 1.153 232 T CB -0.129 68.728 68.868 -0.018 0.000 0.863 232 T HN 0.296 nan 8.240 nan 0.000 0.428 233 K N 0.811 121.207 120.400 -0.007 0.000 2.063 233 K HA -0.025 4.295 4.320 0.001 0.000 0.208 233 K C 2.223 178.824 176.600 0.002 0.000 1.048 233 K CA 1.132 57.415 56.287 -0.006 0.000 0.928 233 K CB -0.392 32.100 32.500 -0.013 0.000 0.713 233 K HN 0.319 nan 8.250 nan 0.000 0.442 234 L N 0.592 121.819 121.223 0.007 0.000 2.217 234 L HA -0.088 4.252 4.340 0.001 0.000 0.211 234 L C 1.906 178.791 176.870 0.025 0.000 1.107 234 L CA 0.678 55.527 54.840 0.014 0.000 0.783 234 L CB -0.172 41.897 42.059 0.017 0.000 0.919 234 L HN 0.160 nan 8.230 nan 0.000 0.442 235 L N -0.644 120.598 121.223 0.032 0.000 2.592 235 L HA 0.095 4.435 4.340 0.001 0.000 0.227 235 L C 0.542 177.430 176.870 0.029 0.000 1.127 235 L CA -0.425 54.440 54.840 0.042 0.000 0.884 235 L CB 0.303 42.400 42.059 0.063 0.000 1.065 235 L HN -0.068 nan 8.230 nan 0.000 0.457 236 V N 1.454 121.378 119.914 0.018 0.000 2.557 236 V HA 0.075 4.195 4.120 0.001 0.000 0.301 236 V C 1.480 177.582 176.094 0.014 0.000 1.026 236 V CA 1.106 63.413 62.300 0.013 0.000 1.137 236 V CB 0.276 32.102 31.823 0.006 0.000 0.917 236 V HN 0.665 nan 8.190 nan 0.000 0.484 237 G N 4.714 113.522 108.800 0.014 0.000 2.168 237 G HA2 -0.268 3.693 3.960 0.001 0.000 0.257 237 G HA3 -0.268 3.693 3.960 0.001 0.000 0.257 237 G C 0.219 175.129 174.900 0.016 0.000 0.997 237 G CA 0.594 45.702 45.100 0.013 0.000 0.708 237 G HN 0.701 nan 8.290 nan 0.000 0.520 238 R N -0.197 120.316 120.500 0.022 0.000 2.854 238 R HA 0.574 4.914 4.340 0.001 0.000 0.271 238 R C -2.507 173.813 176.300 0.034 0.000 0.994 238 R CA -1.963 54.152 56.100 0.026 0.000 0.945 238 R CB 1.488 31.805 30.300 0.029 0.000 1.194 238 R HN 0.089 nan 8.270 nan 0.000 0.476 239 P HA -0.007 nan 4.420 nan 0.000 0.269 239 P C 0.050 177.390 177.300 0.066 0.000 1.209 239 P CA -0.097 63.029 63.100 0.043 0.000 0.776 239 P CB 0.422 32.141 31.700 0.032 0.000 0.876 240 T N -1.179 113.431 114.554 0.093 0.000 4.320 240 T HA 0.108 4.458 4.350 0.001 0.000 0.221 240 T C 0.438 175.263 174.700 0.208 0.000 0.896 240 T CA -0.462 61.733 62.100 0.159 0.000 0.928 240 T CB -1.012 67.962 68.868 0.177 0.000 1.369 240 T HN 0.238 nan 8.240 nan 0.000 0.836 241 K N 2.564 123.032 120.400 0.113 0.000 2.155 241 K HA 0.113 4.433 4.320 0.001 0.000 0.240 241 K C 1.099 177.735 176.600 0.059 0.000 1.193 241 K CA -0.553 55.750 56.287 0.026 0.000 1.104 241 K CB -0.058 32.446 32.500 0.007 0.000 1.558 241 K HN 0.750 nan 8.250 nan 0.000 0.313 242 W N 1.424 122.771 121.300 0.078 0.000 2.658 242 W HA -0.116 4.544 4.660 0.001 0.000 0.263 242 W C 1.133 177.695 176.519 0.071 0.000 1.274 242 W CA -0.048 57.332 57.345 0.057 0.000 1.343 242 W CB -0.812 28.673 29.460 0.041 0.000 1.106 242 W HN 0.422 nan 8.180 nan 0.000 0.615 243 Y N 3.181 123.116 120.300 -0.608 0.000 2.081 243 Y HA -0.292 4.259 4.550 0.001 0.000 0.280 243 Y C 1.780 177.562 175.900 -0.197 0.000 1.163 243 Y CA 2.627 60.395 58.100 -0.554 0.000 1.135 243 Y CB -0.654 37.414 38.460 -0.653 0.000 0.970 243 Y HN -0.221 nan 8.280 nan 0.000 0.498 244 D N -0.205 120.195 120.400 -0.001 0.000 2.378 244 D HA -0.030 4.611 4.640 0.001 0.000 0.227 244 D C 1.480 177.750 176.300 -0.050 0.000 1.012 244 D CA 0.806 54.792 54.000 -0.023 0.000 0.905 244 D CB -0.034 40.795 40.800 0.048 0.000 0.895 244 D HN 0.442 nan 8.370 nan 0.000 0.532 245 L N -0.632 120.578 121.223 -0.022 0.000 2.672 245 L HA 0.160 4.500 4.340 0.001 0.000 0.236 245 L C 2.110 178.970 176.870 -0.016 0.000 1.092 245 L CA -0.050 54.792 54.840 0.003 0.000 0.887 245 L CB 0.432 42.526 42.059 0.058 0.000 1.168 245 L HN -0.018 nan 8.230 nan 0.000 0.502 246 L N 0.935 122.141 121.223 -0.028 0.000 2.010 246 L HA -0.227 4.114 4.340 0.001 0.000 0.219 246 L C -0.220 176.586 176.870 -0.108 0.000 1.077 246 L CA 2.150 56.960 54.840 -0.051 0.000 0.773 246 L CB -1.703 40.302 42.059 -0.090 0.000 0.892 246 L HN 0.251 nan 8.230 nan 0.000 0.436 247 P HA -0.121 nan 4.420 nan 0.000 0.215 247 P C 1.912 179.154 177.300 -0.097 0.000 1.153 247 P CA 1.140 64.167 63.100 -0.122 0.000 0.853 247 P CB 0.014 31.648 31.700 -0.109 0.000 0.788 248 V N -0.551 119.318 119.914 -0.075 0.000 2.343 248 V HA -0.191 3.930 4.120 0.001 0.000 0.247 248 V C 2.489 178.540 176.094 -0.073 0.000 1.051 248 V CA 1.688 63.952 62.300 -0.060 0.000 1.036 248 V CB -1.332 30.469 31.823 -0.038 0.000 0.654 248 V HN -0.032 nan 8.190 nan 0.000 0.451 249 V N -0.262 119.608 119.914 -0.073 0.000 2.295 249 V HA -0.337 3.784 4.120 0.001 0.000 0.246 249 V C 2.476 178.492 176.094 -0.131 0.000 1.049 249 V CA 2.392 64.642 62.300 -0.083 0.000 1.024 249 V CB -0.658 31.130 31.823 -0.060 0.000 0.648 249 V HN 0.619 nan 8.190 nan 0.000 0.447 250 Q N -0.477 119.229 119.800 -0.157 0.000 2.029 250 Q HA -0.305 4.035 4.340 0.001 0.000 0.209 250 Q C 2.299 178.139 176.000 -0.267 0.000 0.999 250 Q CA 2.648 58.308 55.803 -0.238 0.000 0.857 250 Q CB -0.306 28.287 28.738 -0.242 0.000 0.926 250 Q HN 0.539 nan 8.270 nan 0.000 0.415 251 L N 0.520 121.630 121.223 -0.189 0.000 2.046 251 L HA -0.124 4.216 4.340 0.001 0.000 0.208 251 L C 2.269 179.047 176.870 -0.153 0.000 1.077 251 L CA 2.236 56.980 54.840 -0.161 0.000 0.747 251 L CB -0.818 41.182 42.059 -0.098 0.000 0.896 251 L HN 0.311 nan 8.230 nan 0.000 0.432 252 A N -0.426 122.319 122.820 -0.124 0.000 1.883 252 A HA -0.201 4.119 4.320 0.001 0.000 0.217 252 A C 2.252 179.762 177.584 -0.123 0.000 1.186 252 A CA 2.214 54.190 52.037 -0.101 0.000 0.624 252 A CB -0.974 17.980 19.000 -0.076 0.000 0.822 252 A HN 0.511 nan 8.150 nan 0.000 0.444 253 L N -0.582 120.546 121.223 -0.158 0.000 2.109 253 L HA -0.134 4.206 4.340 0.001 0.000 0.207 253 L C 2.032 178.770 176.870 -0.219 0.000 1.086 253 L CA 0.975 55.712 54.840 -0.172 0.000 0.760 253 L CB -0.628 41.323 42.059 -0.180 0.000 0.910 253 L HN 0.347 nan 8.230 nan 0.000 0.437 254 N N 0.205 118.715 118.700 -0.315 0.000 2.381 254 N HA -0.118 4.623 4.740 0.001 0.000 0.182 254 N C 1.032 176.446 175.510 -0.159 0.000 1.025 254 N CA 0.863 53.678 53.050 -0.391 0.000 0.888 254 N CB -0.147 37.881 38.487 -0.765 0.000 0.965 254 N HN 0.372 nan 8.380 nan 0.000 0.438 255 N N -0.170 118.444 118.700 -0.144 0.000 2.238 255 N HA 0.057 4.797 4.740 0.001 0.000 0.222 255 N C -0.483 174.948 175.510 -0.133 0.000 1.133 255 N CA 0.141 53.118 53.050 -0.121 0.000 0.854 255 N CB 0.819 39.229 38.487 -0.129 0.000 1.041 255 N HN -0.010 nan 8.380 nan 0.000 0.510 256 T N 0.727 115.208 114.554 -0.121 0.000 2.845 256 T HA 0.269 4.619 4.350 0.001 0.000 0.288 256 T C -0.097 174.551 174.700 -0.086 0.000 0.980 256 T CA -0.191 61.867 62.100 -0.070 0.000 1.071 256 T CB 0.783 69.620 68.868 -0.053 0.000 0.941 256 T HN -0.007 nan 8.240 nan 0.000 0.487 257 Y N 1.764 122.043 120.300 -0.035 0.000 2.425 257 Y HA 0.226 4.777 4.550 0.001 0.000 0.331 257 Y C 1.237 177.115 175.900 -0.037 0.000 1.157 257 Y CA 0.092 58.173 58.100 -0.031 0.000 1.372 257 Y CB 0.713 39.136 38.460 -0.061 0.000 1.253 257 Y HN 0.515 nan 8.280 nan 0.000 0.536 258 S N 5.517 121.286 115.700 0.116 0.000 2.439 258 S HA 0.213 4.684 4.470 0.001 0.000 0.282 258 S C -1.734 172.905 174.600 0.065 0.000 1.170 258 S CA -1.558 56.683 58.200 0.068 0.000 1.054 258 S CB 0.692 63.925 63.200 0.055 0.000 0.956 258 S HN 0.437 nan 8.310 nan 0.000 0.490 259 P HA -0.126 nan 4.420 nan 0.000 0.217 259 P C 1.452 178.718 177.300 -0.057 0.000 1.148 259 P CA 0.564 63.644 63.100 -0.034 0.000 0.828 259 P CB 0.126 31.793 31.700 -0.055 0.000 0.783 260 V N -1.088 118.789 119.914 -0.062 0.000 2.591 260 V HA -0.125 3.996 4.120 0.001 0.000 0.249 260 V C 1.924 177.998 176.094 -0.034 0.000 1.053 260 V CA 1.502 63.731 62.300 -0.117 0.000 1.068 260 V CB -0.740 30.957 31.823 -0.209 0.000 0.689 260 V HN -0.002 nan 8.190 nan 0.000 0.462 261 L N -0.639 120.614 121.223 0.050 0.000 2.307 261 L HA 0.179 4.519 4.340 0.001 0.000 0.211 261 L C 1.420 178.342 176.870 0.087 0.000 1.099 261 L CA 0.476 55.409 54.840 0.155 0.000 0.816 261 L CB -0.231 41.963 42.059 0.225 0.000 0.952 261 L HN 0.168 nan 8.230 nan 0.000 0.455 262 K N -1.273 119.113 120.400 -0.023 0.000 3.281 262 K HA -0.210 4.111 4.320 0.001 0.000 0.295 262 K C -1.127 175.222 176.600 -0.417 0.000 1.233 262 K CA 0.990 57.152 56.287 -0.209 0.000 0.866 262 K CB -2.439 29.817 32.500 -0.406 0.000 1.265 262 K HN 0.300 nan 8.250 nan 0.000 0.482 263 Y N -0.175 120.264 120.300 0.232 0.000 2.553 263 Y HA 0.343 4.893 4.550 0.001 0.000 0.347 263 Y C 1.010 176.835 175.900 -0.126 0.000 1.019 263 Y CA -0.625 57.517 58.100 0.070 0.000 1.032 263 Y CB 1.588 40.079 38.460 0.051 0.000 1.284 263 Y HN 0.090 nan 8.280 nan 0.000 0.466 264 T N -1.710 112.713 114.554 -0.218 0.000 2.874 264 T HA 0.301 4.651 4.350 0.001 0.000 0.281 264 T C -2.272 172.428 174.700 0.000 0.000 0.994 264 T CA -2.071 59.903 62.100 -0.210 0.000 1.015 264 T CB 1.638 70.302 68.868 -0.340 0.000 1.028 264 T HN 0.315 nan 8.240 nan 0.000 0.523 265 P HA -0.042 nan 4.420 nan 0.000 0.220 265 P C 1.208 178.632 177.300 0.206 0.000 1.148 265 P CA 1.043 64.181 63.100 0.064 0.000 0.803 265 P CB -0.130 31.556 31.700 -0.023 0.000 0.782 266 H N 0.090 119.270 119.070 0.183 0.000 2.321 266 H HA -0.111 4.445 4.556 0.001 0.000 0.300 266 H C 1.988 177.459 175.328 0.238 0.000 1.087 266 H CA 1.828 58.094 56.048 0.364 0.000 1.319 266 H CB -0.370 29.588 29.762 0.326 0.000 1.379 266 H HN 0.048 nan 8.280 nan 0.000 0.501 267 Q N -0.006 119.933 119.800 0.232 0.000 2.096 267 Q HA -0.136 4.205 4.340 0.001 0.000 0.204 267 Q C 2.432 178.430 176.000 -0.003 0.000 0.982 267 Q CA 1.764 57.652 55.803 0.142 0.000 0.850 267 Q CB -0.045 28.810 28.738 0.195 0.000 0.901 267 Q HN 0.507 nan 8.270 nan 0.000 0.422 268 L N -0.134 121.070 121.223 -0.031 0.000 2.291 268 L HA -0.137 4.203 4.340 0.001 0.000 0.214 268 L C 2.092 178.848 176.870 -0.191 0.000 1.120 268 L CA 0.232 55.005 54.840 -0.113 0.000 0.799 268 L CB -0.148 41.867 42.059 -0.072 0.000 0.925 268 L HN 0.242 nan 8.230 nan 0.000 0.446 269 L N -1.534 119.505 121.223 -0.306 0.000 2.202 269 L HA 0.038 4.378 4.340 0.001 0.000 0.205 269 L C 1.575 178.039 176.870 -0.676 0.000 1.083 269 L CA 1.758 56.227 54.840 -0.619 0.000 0.790 269 L CB -0.022 41.391 42.059 -1.077 0.000 0.942 269 L HN 0.052 nan 8.230 nan 0.000 0.452 270 F N -1.597 118.199 119.950 -0.256 0.000 2.789 270 F HA 0.396 4.923 4.527 0.001 0.000 0.320 270 F C 1.798 177.523 175.800 -0.126 0.000 1.079 270 F CA 0.273 58.139 58.000 -0.223 0.000 1.205 270 F CB 0.134 38.905 39.000 -0.381 0.000 1.046 270 F HN 0.020 nan 8.300 nan 0.000 0.586 271 G N 2.158 110.988 108.800 0.049 0.000 2.175 271 G HA2 -0.337 3.624 3.960 0.001 0.000 0.265 271 G HA3 -0.337 3.624 3.960 0.001 0.000 0.265 271 G C 0.027 174.988 174.900 0.101 0.000 0.979 271 G CA 0.700 45.830 45.100 0.049 0.000 0.663 271 G HN 0.433 nan 8.290 nan 0.000 0.533 272 I N -0.446 120.211 120.570 0.146 0.000 2.743 272 I HA 0.358 4.529 4.170 0.001 0.000 0.292 272 I C -1.414 174.871 176.117 0.281 0.000 1.343 272 I CA -1.047 60.353 61.300 0.167 0.000 1.038 272 I CB 1.528 39.596 38.000 0.112 0.000 1.311 272 I HN -0.095 nan 8.210 nan 0.000 0.426 273 D N 4.764 125.320 120.400 0.260 0.000 2.399 273 D HA 0.246 4.887 4.640 0.001 0.000 0.241 273 D C 0.245 176.636 176.300 0.153 0.000 1.133 273 D CA 0.308 54.451 54.000 0.239 0.000 0.890 273 D CB 1.472 42.336 40.800 0.107 0.000 1.201 273 D HN 0.581 nan 8.370 nan 0.000 0.432 274 S N 1.621 117.329 115.700 0.013 0.000 2.607 274 S HA 0.110 4.580 4.470 0.001 0.000 0.272 274 S C 0.546 175.107 174.600 -0.065 0.000 1.166 274 S CA -0.686 57.490 58.200 -0.040 0.000 1.021 274 S CB 0.371 63.519 63.200 -0.087 0.000 1.113 274 S HN 0.333 nan 8.310 nan 0.000 0.531 275 N N 1.730 120.396 118.700 -0.057 0.000 3.178 275 N HA 0.198 4.939 4.740 0.001 0.000 0.300 275 N C -0.299 175.180 175.510 -0.052 0.000 1.242 275 N CA -0.028 52.995 53.050 -0.045 0.000 1.192 275 N CB -0.941 37.526 38.487 -0.034 0.000 1.463 275 N HN 0.746 nan 8.380 nan 0.000 0.539 276 T N -1.599 112.920 114.554 -0.059 0.000 2.940 276 T HA 0.634 4.984 4.350 0.001 0.000 0.288 276 T C -2.685 172.014 174.700 -0.001 0.000 1.045 276 T CA -2.100 59.973 62.100 -0.044 0.000 1.018 276 T CB 1.271 70.091 68.868 -0.080 0.000 1.151 276 T HN -0.021 nan 8.240 nan 0.000 0.529 277 P HA 0.350 nan 4.420 nan 0.000 0.268 277 P C -0.375 177.082 177.300 0.262 0.000 1.205 277 P CA -0.067 63.084 63.100 0.086 0.000 0.771 277 P CB -0.332 31.483 31.700 0.191 0.000 0.858 278 F N -1.206 118.749 119.950 0.008 0.000 3.080 278 F HA -0.234 4.294 4.527 0.001 0.000 0.292 278 F C 0.928 176.755 175.800 0.046 0.000 0.891 278 F CA 0.291 58.307 58.000 0.028 0.000 1.086 278 F CB -2.154 36.869 39.000 0.039 0.000 1.095 278 F HN 0.325 nan 8.300 nan 0.000 0.633 279 A N 0.950 123.841 122.820 0.118 0.000 2.540 279 A HA 0.202 4.523 4.320 0.001 0.000 0.239 279 A C 0.751 178.409 177.584 0.124 0.000 1.061 279 A CA 0.169 52.265 52.037 0.098 0.000 0.758 279 A CB 0.181 19.204 19.000 0.039 0.000 0.991 279 A HN 0.478 nan 8.150 nan 0.000 0.502 280 N N 1.553 120.344 118.700 0.151 0.000 2.520 280 N HA 0.075 4.815 4.740 0.001 0.000 0.273 280 N C 0.166 175.744 175.510 0.113 0.000 1.155 280 N CA 0.012 53.155 53.050 0.155 0.000 0.967 280 N CB 0.730 39.342 38.487 0.209 0.000 1.092 280 N HN 0.690 nan 8.380 nan 0.000 0.457 281 Q N 1.542 121.397 119.800 0.092 0.000 2.159 281 Q HA 0.088 4.428 4.340 0.001 0.000 0.217 281 Q C -0.252 175.789 176.000 0.067 0.000 0.818 281 Q CA -0.321 55.523 55.803 0.069 0.000 1.008 281 Q CB 0.637 29.404 28.738 0.048 0.000 1.148 281 Q HN 0.573 nan 8.270 nan 0.000 0.491 282 D N 1.581 122.030 120.400 0.082 0.000 2.263 282 D HA -0.105 4.535 4.640 0.001 0.000 0.208 282 D C 1.533 177.875 176.300 0.069 0.000 0.971 282 D CA 1.559 55.604 54.000 0.075 0.000 0.867 282 D CB 0.108 40.962 40.800 0.090 0.000 0.929 282 D HN 0.331 nan 8.370 nan 0.000 0.492 283 T N -1.978 112.620 114.554 0.073 0.000 3.214 283 T HA 0.165 4.516 4.350 0.001 0.000 0.264 283 T C 1.527 176.257 174.700 0.050 0.000 1.012 283 T CA -0.374 61.763 62.100 0.062 0.000 0.901 283 T CB -0.008 68.902 68.868 0.069 0.000 1.070 283 T HN -0.148 nan 8.240 nan 0.000 0.561 284 L N 1.836 123.086 121.223 0.045 0.000 2.079 284 L HA 0.027 4.367 4.340 0.001 0.000 0.210 284 L C 1.568 178.455 176.870 0.029 0.000 1.081 284 L CA 1.733 56.594 54.840 0.036 0.000 0.752 284 L CB -0.340 41.738 42.059 0.031 0.000 0.896 284 L HN 0.279 nan 8.230 nan 0.000 0.433 285 D N -1.185 119.233 120.400 0.029 0.000 2.339 285 D HA 0.137 4.777 4.640 0.001 0.000 0.217 285 D C 0.634 176.949 176.300 0.024 0.000 1.050 285 D CA 0.149 54.164 54.000 0.024 0.000 0.856 285 D CB 0.282 41.095 40.800 0.022 0.000 0.922 285 D HN 0.232 nan 8.370 nan 0.000 0.518 286 L N 1.174 122.414 121.223 0.029 0.000 2.399 286 L HA 0.209 4.549 4.340 0.001 0.000 0.266 286 L C 1.243 178.129 176.870 0.025 0.000 1.114 286 L CA -0.567 54.290 54.840 0.027 0.000 0.804 286 L CB 0.945 43.024 42.059 0.032 0.000 1.146 286 L HN -0.074 nan 8.230 nan 0.000 0.451 287 T N -1.573 112.994 114.554 0.022 0.000 2.813 287 T HA 0.072 4.423 4.350 0.001 0.000 0.297 287 T C 1.003 175.716 174.700 0.023 0.000 1.036 287 T CA -0.564 61.548 62.100 0.020 0.000 1.044 287 T CB 1.124 70.002 68.868 0.016 0.000 0.993 287 T HN 0.577 nan 8.240 nan 0.000 0.535 288 R N 0.620 121.134 120.500 0.023 0.000 2.091 288 R HA -0.118 4.222 4.340 0.001 0.000 0.238 288 R C 2.263 178.578 176.300 0.024 0.000 1.136 288 R CA 2.131 58.246 56.100 0.026 0.000 0.959 288 R CB -1.016 29.299 30.300 0.025 0.000 0.856 288 R HN 0.935 nan 8.270 nan 0.000 0.437 289 E N -0.082 120.130 120.200 0.019 0.000 2.077 289 E HA -0.186 4.164 4.350 0.001 0.000 0.193 289 E C 1.688 178.297 176.600 0.016 0.000 0.989 289 E CA 1.505 57.915 56.400 0.016 0.000 0.800 289 E CB 0.017 29.724 29.700 0.013 0.000 0.746 289 E HN 0.504 nan 8.360 nan 0.000 0.452 290 E N 0.276 120.486 120.200 0.018 0.000 2.077 290 E HA -0.220 4.131 4.350 0.001 0.000 0.193 290 E C 2.014 178.627 176.600 0.021 0.000 0.989 290 E CA 1.035 57.447 56.400 0.019 0.000 0.800 290 E CB -0.017 29.695 29.700 0.020 0.000 0.746 290 E HN 0.272 nan 8.360 nan 0.000 0.452 291 E N 0.638 120.854 120.200 0.026 0.000 2.077 291 E HA -0.178 4.172 4.350 0.001 0.000 0.193 291 E C 1.992 178.605 176.600 0.022 0.000 0.989 291 E CA 0.756 57.174 56.400 0.030 0.000 0.800 291 E CB 0.037 29.760 29.700 0.038 0.000 0.746 291 E HN 0.216 nan 8.360 nan 0.000 0.452 292 L N 0.191 121.425 121.223 0.019 0.000 2.275 292 L HA -0.111 4.229 4.340 0.001 0.000 0.215 292 L C 2.558 179.429 176.870 0.002 0.000 1.119 292 L CA 0.655 55.502 54.840 0.011 0.000 0.790 292 L CB -0.214 41.854 42.059 0.015 0.000 0.919 292 L HN 0.156 nan 8.230 nan 0.000 0.443 293 S N 0.160 115.863 115.700 0.005 0.000 2.371 293 S HA -0.116 4.355 4.470 0.001 0.000 0.221 293 S C 1.885 176.485 174.600 -0.001 0.000 1.036 293 S CA 0.559 58.760 58.200 0.002 0.000 0.965 293 S CB -0.053 63.151 63.200 0.007 0.000 0.845 293 S HN 0.282 nan 8.310 nan 0.000 0.475 294 L N 1.765 122.991 121.223 0.005 0.000 2.046 294 L HA 0.063 4.403 4.340 0.001 0.000 0.208 294 L C 2.166 179.022 176.870 -0.024 0.000 1.077 294 L CA 1.640 56.482 54.840 0.004 0.000 0.747 294 L CB -0.923 41.149 42.059 0.022 0.000 0.896 294 L HN 0.454 nan 8.230 nan 0.000 0.432 295 L N -0.445 120.759 121.223 -0.032 0.000 2.043 295 L HA -0.278 4.062 4.340 0.001 0.000 0.212 295 L C 2.480 179.305 176.870 -0.074 0.000 1.075 295 L CA 1.929 56.727 54.840 -0.070 0.000 0.752 295 L CB -0.718 41.312 42.059 -0.049 0.000 0.891 295 L HN 0.456 nan 8.230 nan 0.000 0.432 296 Q N -1.095 118.679 119.800 -0.044 0.000 2.119 296 Q HA -0.247 4.094 4.340 0.001 0.000 0.201 296 Q C 2.117 178.094 176.000 -0.038 0.000 0.972 296 Q CA 1.536 57.316 55.803 -0.038 0.000 0.847 296 Q CB -0.083 28.642 28.738 -0.022 0.000 0.903 296 Q HN 0.532 nan 8.270 nan 0.000 0.433 297 E N 1.117 121.298 120.200 -0.032 0.000 2.072 297 E HA -0.126 4.225 4.350 0.001 0.000 0.191 297 E C 1.625 178.203 176.600 -0.036 0.000 0.985 297 E CA 0.989 57.376 56.400 -0.021 0.000 0.801 297 E CB -0.160 29.538 29.700 -0.005 0.000 0.750 297 E HN 0.317 nan 8.360 nan 0.000 0.452 298 I N 0.158 120.681 120.570 -0.079 0.000 2.286 298 I HA -0.242 3.928 4.170 0.001 0.000 0.248 298 I C 2.446 178.476 176.117 -0.145 0.000 1.115 298 I CA 1.058 62.267 61.300 -0.152 0.000 1.392 298 I CB -0.150 37.639 38.000 -0.351 0.000 1.065 298 I HN 0.065 nan 8.210 nan 0.000 0.418 299 R N 0.030 120.455 120.500 -0.124 0.000 2.120 299 R HA -0.144 4.197 4.340 0.001 0.000 0.234 299 R C 2.279 178.551 176.300 -0.045 0.000 1.123 299 R CA 1.996 58.042 56.100 -0.089 0.000 0.975 299 R CB -0.511 29.741 30.300 -0.079 0.000 0.866 299 R HN 0.505 nan 8.270 nan 0.000 0.446 300 T N -2.201 112.332 114.554 -0.034 0.000 3.054 300 T HA -0.024 4.326 4.350 0.001 0.000 0.259 300 T C 1.656 176.355 174.700 -0.001 0.000 1.092 300 T CA 0.810 62.898 62.100 -0.020 0.000 1.121 300 T CB 0.093 68.950 68.868 -0.019 0.000 0.912 300 T HN 0.175 nan 8.240 nan 0.000 0.489 301 S N 0.945 116.652 115.700 0.012 0.000 2.622 301 S HA 0.394 4.865 4.470 0.001 0.000 0.236 301 S C 0.369 175.019 174.600 0.083 0.000 0.956 301 S CA -0.797 57.429 58.200 0.044 0.000 0.971 301 S CB -0.900 62.331 63.200 0.051 0.000 0.782 301 S HN 0.467 nan 8.310 nan 0.000 0.468 302 L N 2.339 123.611 121.223 0.080 0.000 2.426 302 L HA 0.294 4.635 4.340 0.001 0.000 0.271 302 L C 0.510 177.484 176.870 0.174 0.000 1.169 302 L CA -0.992 53.934 54.840 0.143 0.000 0.836 302 L CB 0.184 42.316 42.059 0.122 0.000 1.112 302 L HN 0.385 nan 8.230 nan 0.000 0.465 303 Y N 3.857 124.214 120.300 0.094 0.000 2.802 303 Y HA -0.114 4.437 4.550 0.001 0.000 0.333 303 Y C -0.026 175.946 175.900 0.120 0.000 1.244 303 Y CA 0.461 58.611 58.100 0.085 0.000 1.558 303 Y CB -0.170 38.323 38.460 0.055 0.000 1.233 303 Y HN 0.408 nan 8.280 nan 0.000 0.547 304 H N 8.890 127.582 119.070 -0.630 0.000 2.505 304 H HA 0.366 4.922 4.556 0.001 0.000 0.338 304 H C -2.448 172.370 175.328 -0.849 0.000 1.057 304 H CA -2.285 53.408 56.048 -0.593 0.000 1.202 304 H CB 1.789 31.396 29.762 -0.258 0.000 1.466 304 H HN 0.606 nan 8.280 nan 0.000 0.499 305 P HA 0.070 nan 4.420 nan 0.000 0.274 305 P C -0.731 176.302 177.300 -0.445 0.000 1.237 305 P CA -0.463 62.242 63.100 -0.659 0.000 0.793 305 P CB 1.317 32.827 31.700 -0.318 0.000 0.977 306 S N -0.889 114.694 115.700 -0.195 0.000 2.578 306 S HA 0.293 4.764 4.470 0.001 0.000 0.301 306 S C 0.082 174.648 174.600 -0.058 0.000 1.091 306 S CA -0.729 57.414 58.200 -0.095 0.000 1.032 306 S CB 0.795 63.969 63.200 -0.043 0.000 1.064 306 S HN 0.543 nan 8.310 nan 0.000 0.508 307 T N 4.013 118.549 114.554 -0.030 0.000 2.718 307 T HA 0.114 4.465 4.350 0.001 0.000 0.265 307 T C -1.878 172.816 174.700 -0.011 0.000 1.014 307 T CA -0.521 61.569 62.100 -0.016 0.000 1.172 307 T CB -0.683 68.181 68.868 -0.006 0.000 1.007 307 T HN 0.610 nan 8.240 nan 0.000 0.500 308 P HA 0.353 nan 4.420 nan 0.000 0.274 308 P C -2.700 174.600 177.300 0.000 0.000 1.256 308 P CA -1.625 61.474 63.100 -0.002 0.000 0.795 308 P CB -0.566 31.134 31.700 0.000 0.000 1.038 309 P HA 0.172 nan 4.420 nan 0.000 0.271 309 P C -0.340 176.963 177.300 0.005 0.000 1.216 309 P CA -0.044 63.059 63.100 0.005 0.000 0.776 309 P CB 0.099 31.803 31.700 0.008 0.000 0.881 310 A N 2.824 125.646 122.820 0.003 0.000 2.483 310 A HA 0.363 4.684 4.320 0.001 0.000 0.238 310 A C 0.777 178.369 177.584 0.013 0.000 1.070 310 A CA 0.018 52.057 52.037 0.004 0.000 0.770 310 A CB -0.503 18.497 19.000 0.000 0.000 1.008 310 A HN 0.638 nan 8.150 nan 0.000 0.497 311 S N 1.044 116.756 115.700 0.020 0.000 2.614 311 S HA 0.250 4.720 4.470 0.001 0.000 0.265 311 S C 1.203 175.822 174.600 0.031 0.000 1.303 311 S CA 0.010 58.227 58.200 0.028 0.000 1.000 311 S CB 0.913 64.135 63.200 0.037 0.000 0.935 311 S HN 1.529 nan 8.310 nan 0.000 0.551 312 S N 0.773 116.492 115.700 0.031 0.000 2.469 312 S HA -0.022 4.448 4.470 0.001 0.000 0.238 312 S C 0.803 175.426 174.600 0.039 0.000 0.998 312 S CA 0.279 58.497 58.200 0.030 0.000 0.957 312 S CB -0.542 62.673 63.200 0.025 0.000 0.764 312 S HN 0.778 nan 8.310 nan 0.000 0.514 313 R N 1.961 122.491 120.500 0.050 0.000 2.782 313 R HA 0.282 4.622 4.340 0.001 0.000 0.293 313 R C -0.623 175.739 176.300 0.103 0.000 1.333 313 R CA -0.058 56.081 56.100 0.065 0.000 1.479 313 R CB 0.983 31.315 30.300 0.053 0.000 1.306 313 R HN 0.468 nan 8.270 nan 0.000 0.654 314 S N 0.304 116.064 115.700 0.101 0.000 2.652 314 S HA 0.549 5.019 4.470 0.001 0.000 0.270 314 S C -0.050 174.670 174.600 0.201 0.000 1.243 314 S CA -0.785 57.492 58.200 0.128 0.000 0.999 314 S CB 1.230 64.449 63.200 0.033 0.000 0.973 314 S HN 0.474 nan 8.310 nan 0.000 0.544 315 W N -0.455 120.847 121.300 0.004 0.000 2.864 315 W HA 0.771 5.432 4.660 0.001 0.000 0.343 315 W C -1.482 175.041 176.519 0.007 0.000 1.109 315 W CA -1.192 56.152 57.345 -0.002 0.000 1.192 315 W CB 0.774 30.226 29.460 -0.015 0.000 1.426 315 W HN 0.566 nan 8.180 nan 0.000 0.529 316 S N 3.210 118.869 115.700 -0.069 0.000 2.521 316 S HA 0.539 5.010 4.470 0.001 0.000 0.295 316 S C -2.412 172.156 174.600 -0.052 0.000 1.098 316 S CA -1.022 57.013 58.200 -0.274 0.000 0.999 316 S CB 2.218 65.336 63.200 -0.138 0.000 1.034 316 S HN 0.233 nan 8.310 nan 0.000 0.483 317 P HA 0.273 nan 4.420 nan 0.000 0.271 317 P C -1.106 176.246 177.300 0.087 0.000 1.216 317 P CA -0.213 62.948 63.100 0.103 0.000 0.776 317 P CB 0.590 32.300 31.700 0.017 0.000 0.881 318 V N 3.813 123.803 119.914 0.125 0.000 2.656 318 V HA 0.130 4.250 4.120 0.001 0.000 0.307 318 V C 0.326 176.465 176.094 0.075 0.000 1.051 318 V CA -1.025 61.324 62.300 0.081 0.000 0.893 318 V CB 2.497 34.367 31.823 0.079 0.000 0.999 318 V HN 0.305 nan 8.190 nan 0.000 0.426 319 V N 4.520 124.466 119.914 0.053 0.000 2.617 319 V HA 0.339 4.460 4.120 0.001 0.000 0.304 319 V C 1.515 177.637 176.094 0.046 0.000 1.040 319 V CA 1.922 64.251 62.300 0.047 0.000 1.149 319 V CB 0.274 32.118 31.823 0.035 0.000 0.914 319 V HN 1.381 nan 8.190 nan 0.000 0.487 320 G N 3.082 111.909 108.800 0.046 0.000 2.199 320 G HA2 -0.282 3.679 3.960 0.001 0.000 0.254 320 G HA3 -0.282 3.679 3.960 0.001 0.000 0.254 320 G C 0.346 175.268 174.900 0.038 0.000 0.982 320 G CA 0.405 45.528 45.100 0.038 0.000 0.632 320 G HN 0.798 nan 8.290 nan 0.000 0.529 321 Q N 0.348 120.179 119.800 0.051 0.000 2.361 321 Q HA 0.475 4.816 4.340 0.001 0.000 0.276 321 Q C 0.560 176.578 176.000 0.030 0.000 1.022 321 Q CA -0.267 55.563 55.803 0.045 0.000 0.898 321 Q CB 0.239 29.028 28.738 0.086 0.000 1.246 321 Q HN 0.452 nan 8.270 nan 0.000 0.410 322 L N 5.115 126.336 121.223 -0.004 0.000 2.361 322 L HA 0.287 4.628 4.340 0.001 0.000 0.278 322 L C -0.178 176.653 176.870 -0.064 0.000 1.113 322 L CA -0.441 54.386 54.840 -0.022 0.000 0.849 322 L CB 0.432 42.468 42.059 -0.038 0.000 1.155 322 L HN 0.499 nan 8.230 nan 0.000 0.452 323 V N 1.168 121.061 119.914 -0.035 0.000 3.160 323 V HA 0.622 4.742 4.120 0.001 0.000 0.310 323 V C -0.980 175.104 176.094 -0.017 0.000 1.181 323 V CA -0.880 61.374 62.300 -0.076 0.000 1.047 323 V CB 2.176 34.017 31.823 0.030 0.000 1.068 323 V HN 0.752 nan 8.190 nan 0.000 0.441 324 Q N 0.496 120.282 119.800 -0.022 0.000 2.347 324 Q HA 0.490 4.831 4.340 0.001 0.000 0.271 324 Q C -1.161 175.035 176.000 0.326 0.000 1.064 324 Q CA -0.455 55.416 55.803 0.114 0.000 0.800 324 Q CB 3.037 31.788 28.738 0.021 0.000 1.304 324 Q HN 0.888 nan 8.270 nan 0.000 0.438 325 E N 2.079 122.504 120.200 0.374 0.000 2.283 325 E HA 0.160 4.511 4.350 0.001 0.000 0.278 325 E C -0.680 176.159 176.600 0.398 0.000 1.027 325 E CA -0.497 56.145 56.400 0.404 0.000 0.843 325 E CB 0.994 30.888 29.700 0.323 0.000 1.062 325 E HN 0.365 nan 8.360 nan 0.000 0.401 326 R N 3.186 123.777 120.500 0.152 0.000 2.522 326 R HA 0.050 4.390 4.340 0.001 0.000 0.284 326 R C -0.674 175.415 176.300 -0.352 0.000 1.032 326 R CA -0.376 55.452 56.100 -0.454 0.000 1.049 326 R CB 0.475 30.459 30.300 -0.526 0.000 0.956 326 R HN 0.307 nan 8.270 nan 0.000 0.422 327 V N 5.428 124.974 119.914 -0.613 0.000 2.585 327 V HA -0.036 4.084 4.120 0.001 0.000 0.296 327 V C 1.455 177.304 176.094 -0.409 0.000 1.035 327 V CA 0.743 62.679 62.300 -0.605 0.000 1.084 327 V CB 0.873 32.310 31.823 -0.644 0.000 0.953 327 V HN 1.076 nan 8.190 nan 0.000 0.483 328 A N 5.098 127.715 122.820 -0.338 0.000 1.828 328 A HA 0.089 4.410 4.320 0.001 0.000 0.215 328 A C 1.667 179.001 177.584 -0.417 0.000 1.203 328 A CA 1.756 53.449 52.037 -0.572 0.000 0.614 328 A CB -0.289 18.239 19.000 -0.787 0.000 0.844 328 A HN 1.066 nan 8.150 nan 0.000 0.445 329 R N 1.133 121.472 120.500 -0.268 0.000 2.477 329 R HA 0.547 4.887 4.340 0.001 0.000 0.285 329 R C -2.831 173.380 176.300 -0.148 0.000 1.415 329 R CA -1.401 54.593 56.100 -0.177 0.000 1.446 329 R CB -0.871 29.363 30.300 -0.109 0.000 1.110 329 R HN 0.590 nan 8.270 nan 0.000 0.590 330 P HA 0.413 nan 4.420 nan 0.000 0.276 330 P C -0.092 177.143 177.300 -0.108 0.000 1.235 330 P CA -0.102 62.902 63.100 -0.161 0.000 0.772 330 P CB 1.664 33.242 31.700 -0.203 0.000 0.871 331 A N 3.054 125.824 122.820 -0.084 0.000 2.386 331 A HA 0.210 4.531 4.320 0.001 0.000 0.246 331 A C 0.752 178.303 177.584 -0.056 0.000 1.089 331 A CA -0.248 51.754 52.037 -0.058 0.000 0.790 331 A CB -0.307 18.668 19.000 -0.042 0.000 1.042 331 A HN 0.584 nan 8.150 nan 0.000 0.497 332 S N -0.160 115.515 115.700 -0.042 0.000 2.544 332 S HA 0.229 4.700 4.470 0.001 0.000 0.290 332 S C 0.708 175.287 174.600 -0.035 0.000 1.276 332 S CA 0.544 58.722 58.200 -0.037 0.000 1.075 332 S CB -0.984 62.199 63.200 -0.027 0.000 0.849 332 S HN 1.156 nan 8.310 nan 0.000 0.494 333 L N 2.289 123.490 121.223 -0.036 0.000 4.089 333 L HA -0.200 4.141 4.340 0.001 0.000 0.408 333 L C 0.159 177.007 176.870 -0.037 0.000 1.184 333 L CA 0.390 55.211 54.840 -0.032 0.000 0.947 333 L CB -1.292 40.752 42.059 -0.024 0.000 2.066 333 L HN 0.585 nan 8.230 nan 0.000 0.851 334 R N -0.256 120.214 120.500 -0.049 0.000 2.778 334 R HA 0.639 4.980 4.340 0.001 0.000 0.277 334 R C -2.205 174.053 176.300 -0.070 0.000 0.977 334 R CA -2.166 53.901 56.100 -0.055 0.000 0.950 334 R CB 0.474 30.737 30.300 -0.060 0.000 1.165 334 R HN -0.247 nan 8.270 nan 0.000 0.474 335 P HA 0.124 nan 4.420 nan 0.000 0.265 335 P C 0.323 177.538 177.300 -0.143 0.000 1.187 335 P CA -0.081 62.986 63.100 -0.056 0.000 0.766 335 P CB 0.622 32.306 31.700 -0.026 0.000 0.820 336 R N 0.843 121.245 120.500 -0.163 0.000 2.297 336 R HA 0.160 4.500 4.340 0.001 0.000 0.197 336 R C -0.439 175.418 176.300 -0.737 0.000 0.943 336 R CA 0.331 56.173 56.100 -0.429 0.000 1.038 336 R CB -0.154 29.887 30.300 -0.433 0.000 0.957 336 R HN 0.555 nan 8.270 nan 0.000 0.484 337 W N -0.454 120.730 121.300 -0.194 0.000 2.844 337 W HA 0.388 5.049 4.660 0.001 0.000 0.340 337 W C 0.358 176.717 176.519 -0.267 0.000 1.093 337 W CA -0.856 56.365 57.345 -0.206 0.000 1.212 337 W CB 0.680 30.077 29.460 -0.106 0.000 1.422 337 W HN -0.059 nan 8.180 nan 0.000 0.515 338 H N 1.120 120.252 119.070 0.103 0.000 2.660 338 H HA 0.211 4.767 4.556 0.001 0.000 0.374 338 H C 0.151 175.506 175.328 0.044 0.000 1.291 338 H CA -0.131 55.894 56.048 -0.038 0.000 1.437 338 H CB 0.680 30.299 29.762 -0.238 0.000 1.509 338 H HN 0.161 nan 8.280 nan 0.000 0.614 339 K N 1.384 121.890 120.400 0.177 0.000 2.380 339 K HA 0.071 4.392 4.320 0.001 0.000 0.267 339 K C -2.205 174.462 176.600 0.113 0.000 0.990 339 K CA -1.124 55.237 56.287 0.122 0.000 0.946 339 K CB -0.303 32.266 32.500 0.116 0.000 0.937 339 K HN 0.338 nan 8.250 nan 0.000 0.491 340 P HA -0.047 nan 4.420 nan 0.000 0.266 340 P C -0.961 176.378 177.300 0.064 0.000 1.195 340 P CA 0.146 63.272 63.100 0.043 0.000 0.768 340 P CB 0.827 32.532 31.700 0.009 0.000 0.838 341 S N 0.527 116.266 115.700 0.065 0.000 2.697 341 S HA 0.747 5.217 4.470 0.001 0.000 0.289 341 S C -0.754 173.880 174.600 0.057 0.000 1.149 341 S CA -0.714 57.529 58.200 0.071 0.000 0.850 341 S CB 1.163 64.424 63.200 0.101 0.000 1.151 341 S HN 0.285 nan 8.310 nan 0.000 0.491 342 T N 1.120 115.707 114.554 0.055 0.000 2.895 342 T HA 0.548 4.899 4.350 0.001 0.000 0.283 342 T C -0.389 174.348 174.700 0.062 0.000 1.014 342 T CA -0.644 61.485 62.100 0.049 0.000 1.037 342 T CB 1.375 70.265 68.868 0.037 0.000 1.006 342 T HN 0.561 nan 8.240 nan 0.000 0.468 343 V N 4.412 124.367 119.914 0.068 0.000 2.405 343 V HA 0.120 4.241 4.120 0.001 0.000 0.264 343 V C 1.273 177.401 176.094 0.057 0.000 1.048 343 V CA 0.040 62.386 62.300 0.077 0.000 0.966 343 V CB -0.232 31.648 31.823 0.097 0.000 1.015 343 V HN 0.801 nan 8.190 nan 0.000 0.477 344 L N 3.263 124.517 121.223 0.052 0.000 2.034 344 L HA 0.152 4.492 4.340 0.001 0.000 0.203 344 L C 1.209 178.101 176.870 0.038 0.000 1.074 344 L CA 1.245 56.109 54.840 0.040 0.000 0.748 344 L CB -0.014 42.066 42.059 0.035 0.000 0.905 344 L HN 0.508 nan 8.230 nan 0.000 0.439 345 K N -0.432 119.992 120.400 0.041 0.000 2.464 345 K HA 0.398 4.719 4.320 0.001 0.000 0.253 345 K C -1.335 175.288 176.600 0.038 0.000 0.933 345 K CA -0.549 55.759 56.287 0.036 0.000 0.801 345 K CB 2.491 35.009 32.500 0.031 0.000 1.271 345 K HN -0.303 nan 8.250 nan 0.000 0.430 346 V N 6.920 126.852 119.914 0.031 0.000 2.258 346 V HA 0.090 4.210 4.120 0.001 0.000 0.258 346 V C 1.422 177.527 176.094 0.019 0.000 1.121 346 V CA -0.233 62.081 62.300 0.024 0.000 0.942 346 V CB 0.212 32.046 31.823 0.018 0.000 1.170 346 V HN 0.853 nan 8.190 nan 0.000 0.487 347 L N 2.813 124.050 121.223 0.023 0.000 2.013 347 L HA -0.118 4.223 4.340 0.001 0.000 0.212 347 L C 1.033 177.914 176.870 0.018 0.000 1.073 347 L CA 1.647 56.502 54.840 0.024 0.000 0.753 347 L CB -0.271 41.809 42.059 0.034 0.000 0.890 347 L HN 0.928 nan 8.230 nan 0.000 0.432 348 N N -3.989 114.716 118.700 0.009 0.000 3.020 348 N HA 0.226 4.967 4.740 0.001 0.000 0.248 348 N C -2.574 172.922 175.510 -0.024 0.000 1.480 348 N CA -1.598 51.451 53.050 -0.001 0.000 0.874 348 N CB 0.520 39.014 38.487 0.011 0.000 1.433 348 N HN -0.386 nan 8.380 nan 0.000 0.530 349 P HA -0.034 nan 4.420 nan 0.000 0.226 349 P C 0.218 177.446 177.300 -0.120 0.000 1.146 349 P CA 1.029 64.084 63.100 -0.075 0.000 0.773 349 P CB 0.182 31.843 31.700 -0.066 0.000 0.772 350 R N -1.948 118.502 120.500 -0.083 0.000 2.476 350 R HA 0.259 4.599 4.340 0.001 0.000 0.276 350 R C -0.113 176.141 176.300 -0.078 0.000 0.941 350 R CA 0.427 56.468 56.100 -0.098 0.000 1.088 350 R CB 0.560 30.830 30.300 -0.049 0.000 1.216 350 R HN 0.142 nan 8.270 nan 0.000 0.533 351 T N 0.853 115.379 114.554 -0.045 0.000 2.971 351 T HA 0.450 4.800 4.350 0.001 0.000 0.304 351 T C -0.483 174.222 174.700 0.008 0.000 1.038 351 T CA -0.700 61.392 62.100 -0.013 0.000 1.007 351 T CB 2.465 71.342 68.868 0.015 0.000 1.055 351 T HN 0.006 nan 8.240 nan 0.000 0.451 352 V N -0.334 119.598 119.914 0.030 0.000 3.159 352 V HA 0.933 5.054 4.120 0.001 0.000 0.308 352 V C -0.995 175.135 176.094 0.060 0.000 1.190 352 V CA -1.070 61.258 62.300 0.048 0.000 1.037 352 V CB 1.879 33.743 31.823 0.068 0.000 1.060 352 V HN 0.674 nan 8.190 nan 0.000 0.437 353 V N 3.856 123.805 119.914 0.058 0.000 2.427 353 V HA 0.608 4.728 4.120 0.001 0.000 0.286 353 V C 0.118 176.251 176.094 0.065 0.000 1.034 353 V CA -0.285 62.050 62.300 0.058 0.000 0.893 353 V CB 1.066 32.917 31.823 0.046 0.000 0.982 353 V HN 0.965 nan 8.190 nan 0.000 0.452 354 I N 2.543 123.155 120.570 0.070 0.000 2.646 354 I HA 0.666 4.836 4.170 0.001 0.000 0.299 354 I C -0.818 175.333 176.117 0.056 0.000 1.036 354 I CA -1.165 60.179 61.300 0.074 0.000 1.074 354 I CB 2.010 40.070 38.000 0.100 0.000 1.258 354 I HN 0.476 nan 8.210 nan 0.000 0.430 355 L N 5.445 126.698 121.223 0.050 0.000 2.282 355 L HA 0.385 4.725 4.340 0.001 0.000 0.287 355 L C -0.203 176.692 176.870 0.042 0.000 1.075 355 L CA 0.299 55.160 54.840 0.034 0.000 0.839 355 L CB -0.239 41.836 42.059 0.027 0.000 1.219 355 L HN 0.862 nan 8.230 nan 0.000 0.434 356 D N 2.334 122.752 120.400 0.030 0.000 2.496 356 D HA 0.068 4.709 4.640 0.001 0.000 0.283 356 D C 1.351 177.677 176.300 0.043 0.000 1.214 356 D CA 0.590 54.628 54.000 0.064 0.000 1.089 356 D CB 0.056 40.892 40.800 0.060 0.000 1.141 356 D HN 0.618 nan 8.370 nan 0.000 0.580 357 H N -0.824 118.218 119.070 -0.047 0.000 2.423 357 H HA -0.012 4.544 4.556 0.001 0.000 0.297 357 H C 1.693 177.001 175.328 -0.033 0.000 1.075 357 H CA 0.935 56.958 56.048 -0.041 0.000 1.342 357 H CB -0.554 29.159 29.762 -0.082 0.000 1.395 357 H HN 0.289 nan 8.280 nan 0.000 0.530 358 L N 0.330 121.258 121.223 -0.492 0.000 2.591 358 L HA 0.194 4.535 4.340 0.001 0.000 0.228 358 L C 1.371 178.154 176.870 -0.146 0.000 1.133 358 L CA 0.505 55.161 54.840 -0.307 0.000 0.880 358 L CB 0.022 41.851 42.059 -0.383 0.000 1.033 358 L HN 0.580 nan 8.230 nan 0.000 0.450 359 G N 0.464 109.203 108.800 -0.100 0.000 2.160 359 G HA2 -0.250 3.711 3.960 0.001 0.000 0.244 359 G HA3 -0.250 3.711 3.960 0.001 0.000 0.244 359 G C -0.216 174.653 174.900 -0.051 0.000 1.022 359 G CA -0.038 45.031 45.100 -0.052 0.000 0.741 359 G HN 0.419 nan 8.290 nan 0.000 0.508 360 N N -0.010 118.647 118.700 -0.072 0.000 2.404 360 N HA 0.530 5.271 4.740 0.001 0.000 0.297 360 N C -0.348 175.149 175.510 -0.022 0.000 1.163 360 N CA -0.933 52.086 53.050 -0.052 0.000 0.864 360 N CB 0.572 39.014 38.487 -0.075 0.000 1.247 360 N HN 0.138 nan 8.380 nan 0.000 0.510 361 N N 0.751 119.446 118.700 -0.007 0.000 2.470 361 N HA 0.234 4.975 4.740 0.001 0.000 0.268 361 N C -0.526 174.993 175.510 0.015 0.000 1.136 361 N CA 0.160 53.216 53.050 0.011 0.000 0.961 361 N CB 0.567 39.062 38.487 0.013 0.000 1.067 361 N HN 0.241 nan 8.380 nan 0.000 0.468 362 R N 0.777 121.297 120.500 0.034 0.000 2.621 362 R HA 0.456 4.797 4.340 0.001 0.000 0.292 362 R C -0.796 175.540 176.300 0.059 0.000 0.969 362 R CA -0.684 55.443 56.100 0.046 0.000 0.887 362 R CB 1.707 32.047 30.300 0.066 0.000 1.180 362 R HN 0.395 nan 8.270 nan 0.000 0.450 363 T N 2.221 116.809 114.554 0.057 0.000 2.767 363 T HA 0.434 4.785 4.350 0.001 0.000 0.288 363 T C -0.635 174.109 174.700 0.072 0.000 0.963 363 T CA -0.400 61.738 62.100 0.063 0.000 1.019 363 T CB 1.256 70.161 68.868 0.062 0.000 0.923 363 T HN 0.110 nan 8.240 nan 0.000 0.468 364 V N 2.326 122.284 119.914 0.073 0.000 2.888 364 V HA 0.551 4.672 4.120 0.001 0.000 0.309 364 V C -0.066 176.049 176.094 0.035 0.000 1.114 364 V CA -0.915 61.434 62.300 0.081 0.000 0.940 364 V CB 2.551 34.446 31.823 0.121 0.000 1.021 364 V HN 0.901 nan 8.190 nan 0.000 0.426 365 S N 3.991 119.675 115.700 -0.027 0.000 2.565 365 S HA 0.255 4.726 4.470 0.001 0.000 0.276 365 S C 1.259 175.831 174.600 -0.048 0.000 1.326 365 S CA -0.587 57.508 58.200 -0.175 0.000 1.045 365 S CB 0.544 63.361 63.200 -0.638 0.000 0.918 365 S HN 0.517 nan 8.310 nan 0.000 0.505 366 I N 3.338 123.872 120.570 -0.060 0.000 2.399 366 I HA -0.124 4.046 4.170 0.001 0.000 0.254 366 I C 1.668 177.879 176.117 0.156 0.000 1.146 366 I CA 1.280 62.586 61.300 0.009 0.000 1.412 366 I CB -1.307 36.559 38.000 -0.224 0.000 1.076 366 I HN 0.660 nan 8.210 nan 0.000 0.432 367 D N 0.611 121.065 120.400 0.091 0.000 2.310 367 D HA -0.101 4.540 4.640 0.001 0.000 0.212 367 D C 1.201 177.663 176.300 0.270 0.000 0.965 367 D CA 0.693 54.823 54.000 0.217 0.000 0.879 367 D CB -0.188 40.797 40.800 0.307 0.000 0.921 367 D HN 0.307 nan 8.370 nan 0.000 0.510 368 N N 0.041 118.884 118.700 0.238 0.000 2.273 368 N HA 0.170 4.911 4.740 0.001 0.000 0.231 368 N C -0.383 175.356 175.510 0.382 0.000 1.134 368 N CA 0.024 53.228 53.050 0.257 0.000 0.856 368 N CB 1.201 39.810 38.487 0.205 0.000 1.068 368 N HN 0.174 nan 8.380 nan 0.000 0.510 369 L N 0.705 122.219 121.223 0.485 0.000 2.388 369 L HA 0.465 4.806 4.340 0.001 0.000 0.264 369 L C -0.447 176.657 176.870 0.390 0.000 0.998 369 L CA -0.923 54.220 54.840 0.505 0.000 0.817 369 L CB 2.453 44.819 42.059 0.512 0.000 1.338 369 L HN -0.012 nan 8.230 nan 0.000 0.414 370 K N 1.787 122.124 120.400 -0.106 0.000 2.318 370 K HA 0.682 5.003 4.320 0.001 0.000 0.249 370 K C -2.873 173.237 176.600 -0.817 0.000 0.942 370 K CA -1.973 53.931 56.287 -0.639 0.000 0.808 370 K CB 1.937 33.827 32.500 -1.016 0.000 1.189 370 K HN 0.092 nan 8.250 nan 0.000 0.428 371 P HA 0.031 nan 4.420 nan 0.000 0.276 371 P C -0.632 176.329 177.300 -0.565 0.000 1.235 371 P CA -0.181 62.393 63.100 -0.876 0.000 0.772 371 P CB 0.772 31.906 31.700 -0.943 0.000 0.871 372 T N 2.392 116.718 114.554 -0.380 0.000 2.934 372 T HA 0.081 4.432 4.350 0.001 0.000 0.306 372 T C 0.799 175.314 174.700 -0.310 0.000 1.042 372 T CA 0.479 62.398 62.100 -0.301 0.000 1.145 372 T CB -0.134 68.626 68.868 -0.180 0.000 0.982 372 T HN 0.281 nan 8.240 nan 0.000 0.544 373 S N 2.398 117.882 115.700 -0.360 0.000 2.601 373 S HA 0.192 4.663 4.470 0.001 0.000 0.271 373 S C 0.629 174.953 174.600 -0.460 0.000 1.305 373 S CA -0.622 57.245 58.200 -0.555 0.000 1.022 373 S CB 0.146 62.850 63.200 -0.828 0.000 0.940 373 S HN 0.976 nan 8.310 nan 0.000 0.525 374 H N 0.382 119.394 119.070 -0.096 0.000 3.080 374 H HA -0.176 4.381 4.556 0.001 0.000 0.254 374 H C 0.205 175.494 175.328 -0.066 0.000 1.179 374 H CA 0.976 56.979 56.048 -0.074 0.000 1.144 374 H CB -2.263 27.454 29.762 -0.074 0.000 1.261 374 H HN 0.838 nan 8.280 nan 0.000 0.333 375 Q N 0.000 119.784 119.800 -0.026 0.000 2.315 375 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 375 Q CA 0.000 55.788 55.803 -0.025 0.000 1.022 375 Q CB 0.000 28.733 28.738 -0.008 0.000 1.108 375 Q HN 0.000 nan 8.270 nan 0.000 0.481